@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL5508 @attribute molecule_id {CHEMBL1092509,CHEMBL1179821,CHEMBL1233659,CHEMBL14762,CHEMBL1782168,CHEMBL1782169,CHEMBL1782170,CHEMBL1802355,CHEMBL1802356,CHEMBL1802357,CHEMBL1802358,CHEMBL1802389,CHEMBL1802390,CHEMBL1802391,CHEMBL1802392,CHEMBL1802393,CHEMBL1802394,CHEMBL1802395,CHEMBL1802396,CHEMBL1802397,CHEMBL1802398,CHEMBL1802399,CHEMBL1802400,CHEMBL1802401,CHEMBL1802402,CHEMBL1802403,CHEMBL1802404,CHEMBL1802405,CHEMBL1802406,CHEMBL1802407,CHEMBL1802408,CHEMBL1802409,CHEMBL1802410,CHEMBL1802841,CHEMBL1802842,CHEMBL1802843,CHEMBL1802844,CHEMBL1802845,CHEMBL1802846,CHEMBL1802847,CHEMBL1802848,CHEMBL1802849,CHEMBL1802850,CHEMBL1802851,CHEMBL1802852,CHEMBL1802853,CHEMBL1802854,CHEMBL1802855,CHEMBL1802856,CHEMBL1802857,CHEMBL1802962,CHEMBL1802963,CHEMBL1802964,CHEMBL1802965,CHEMBL1802966,CHEMBL1802967,CHEMBL1802968,CHEMBL1802969,CHEMBL1802970,CHEMBL1802971,CHEMBL1802972,CHEMBL1803067,CHEMBL1803068,CHEMBL1803069,CHEMBL1803070,CHEMBL1803071,CHEMBL1803072,CHEMBL1803073,CHEMBL1803076,CHEMBL1803078,CHEMBL1803079,CHEMBL1803080,CHEMBL1803081,CHEMBL1803082,CHEMBL1803083,CHEMBL1803084,CHEMBL1803085,CHEMBL1836358,CHEMBL1910190,CHEMBL1910191,CHEMBL1910192,CHEMBL1910193,CHEMBL1910194,CHEMBL1910195,CHEMBL1910196,CHEMBL1910197,CHEMBL1910198,CHEMBL1910199,CHEMBL1910200,CHEMBL1910201,CHEMBL1910377,CHEMBL1944663,CHEMBL1946913,CHEMBL1946914,CHEMBL1946915,CHEMBL1946916,CHEMBL1946917,CHEMBL1946918,CHEMBL1947105,CHEMBL1947106,CHEMBL1947107,CHEMBL1947108,CHEMBL1947109,CHEMBL1947110,CHEMBL1947111,CHEMBL1947112,CHEMBL1947113,CHEMBL1947114,CHEMBL1947115,CHEMBL1947116,CHEMBL1947117,CHEMBL2029614,CHEMBL2029615,CHEMBL2029616,CHEMBL2029617,CHEMBL2029618,CHEMBL2029619,CHEMBL2029620,CHEMBL2029621,CHEMBL2029622,CHEMBL2029623,CHEMBL2041749,CHEMBL2041912,CHEMBL2041914,CHEMBL2041915,CHEMBL2041916,CHEMBL2041917,CHEMBL2041918,CHEMBL2041919,CHEMBL2088658,CHEMBL2088659,CHEMBL2088660,CHEMBL2088661,CHEMBL2088662,CHEMBL2088663,CHEMBL2088664,CHEMBL2088665,CHEMBL2088666,CHEMBL2088667,CHEMBL2088668,CHEMBL2088669,CHEMBL2088670,CHEMBL2088671,CHEMBL2088672,CHEMBL2088673,CHEMBL2088674,CHEMBL2088675,CHEMBL2088676,CHEMBL2088677,CHEMBL2153261,CHEMBL2153263,CHEMBL2153264,CHEMBL2153265,CHEMBL2153266,CHEMBL2153267,CHEMBL2153411,CHEMBL2153412,CHEMBL2153515,CHEMBL2153516,CHEMBL2153517,CHEMBL2153518,CHEMBL2153519,CHEMBL2153520,CHEMBL2153521,CHEMBL2153522,CHEMBL2153523,CHEMBL2153524,CHEMBL2153525,CHEMBL2153526,CHEMBL2153527,CHEMBL2153528,CHEMBL2153529,CHEMBL2153530,CHEMBL2153531,CHEMBL2153532,CHEMBL2153533,CHEMBL2153534,CHEMBL2153535,CHEMBL2153536,CHEMBL2153537,CHEMBL2153538,CHEMBL2153539,CHEMBL2153540,CHEMBL2153541,CHEMBL2153542,CHEMBL2153543,CHEMBL2153544,CHEMBL2153545,CHEMBL2153546,CHEMBL2153547,CHEMBL2153548,CHEMBL2153549,CHEMBL2153550,CHEMBL230806,CHEMBL2313884,CHEMBL2313885,CHEMBL2313886,CHEMBL2313887,CHEMBL2313888,CHEMBL2313889,CHEMBL2313890,CHEMBL2313891,CHEMBL2313892,CHEMBL2313893,CHEMBL2313894,CHEMBL2313895,CHEMBL2313896,CHEMBL2313897,CHEMBL2313898,CHEMBL2313899,CHEMBL2313900,CHEMBL2313901,CHEMBL2313902,CHEMBL2313903,CHEMBL2313904,CHEMBL2313905,CHEMBL2313906,CHEMBL2313907,CHEMBL2313908,CHEMBL2313909,CHEMBL2313910,CHEMBL2313911,CHEMBL2313912,CHEMBL2313913,CHEMBL2313914,CHEMBL2313915,CHEMBL2313916,CHEMBL2313917,CHEMBL2313918,CHEMBL2313919,CHEMBL2313920,CHEMBL2313921,CHEMBL2313922,CHEMBL2313923,CHEMBL2313924,CHEMBL2313925,CHEMBL2313926,CHEMBL2313927,CHEMBL2314163,CHEMBL2314164,CHEMBL2314165,CHEMBL2314166,CHEMBL2314167,CHEMBL2314168,CHEMBL2314169,CHEMBL2314170,CHEMBL2321878,CHEMBL2321945,CHEMBL2321946,CHEMBL2321947,CHEMBL2321948,CHEMBL2321949,CHEMBL2321950,CHEMBL2321951,CHEMBL2321952,CHEMBL2321953,CHEMBL2321954,CHEMBL2321955,CHEMBL2321956,CHEMBL2321957,CHEMBL2321958,CHEMBL2321959,CHEMBL2321960,CHEMBL2321961,CHEMBL2321962,CHEMBL2321963,CHEMBL2321964,CHEMBL2321965,CHEMBL2321966,CHEMBL2321967,CHEMBL2321968,CHEMBL2321969,CHEMBL2321970,CHEMBL2321971,CHEMBL2321972,CHEMBL2321973,CHEMBL2321974,CHEMBL2321975,CHEMBL2322019,CHEMBL2348723,CHEMBL2348724,CHEMBL2348725,CHEMBL2348726,CHEMBL2348727,CHEMBL2348728,CHEMBL2348729,CHEMBL2348730,CHEMBL2348731,CHEMBL2348732,CHEMBL2348733,CHEMBL2348734,CHEMBL2348735,CHEMBL2348736,CHEMBL2348737,CHEMBL2348738,CHEMBL2348739,CHEMBL2348740,CHEMBL2348741,CHEMBL2348742,CHEMBL2348743,CHEMBL2348744,CHEMBL2348745,CHEMBL2348746,CHEMBL2348747,CHEMBL2348748,CHEMBL2348749,CHEMBL2348750,CHEMBL239698,CHEMBL269538,CHEMBL270346,CHEMBL270686,CHEMBL270687,CHEMBL270897,CHEMBL270926,CHEMBL271195,CHEMBL271597,CHEMBL296586,CHEMBL393545,CHEMBL402443,CHEMBL405074,CHEMBL405200,CHEMBL405665,CHEMBL406102,CHEMBL406463,CHEMBL406464,CHEMBL409450,CHEMBL411704,CHEMBL428690,CHEMBL430574,CHEMBL445348,CHEMBL44541,CHEMBL457313,CHEMBL46440,CHEMBL471250,CHEMBL48082,CHEMBL485053,CHEMBL489967,CHEMBL490159,CHEMBL507274,CHEMBL523951,CHEMBL538190,CHEMBL550658,CHEMBL552324,CHEMBL552407,CHEMBL559538,CHEMBL559591,CHEMBL559592,CHEMBL559734,CHEMBL559735,CHEMBL560521,CHEMBL560787,CHEMBL562648,CHEMBL563961,CHEMBL563962,CHEMBL575945,CHEMBL593698,CHEMBL593970,CHEMBL594192,CHEMBL594857,CHEMBL596037,CHEMBL603641,CHEMBL604263,CHEMBL604270,CHEMBL604470,CHEMBL605926,CHEMBL606814,CHEMBL606920,CHEMBL610451} @attribute AAC numeric @attribute AECC numeric @attribute ALOGP numeric @attribute ALOGP2 numeric @attribute AMR numeric @attribute AMW numeric @attribute ARR numeric @attribute ATS1e numeric @attribute ATS1i numeric @attribute ATS1m numeric @attribute ATS1p numeric @attribute ATS1s numeric @attribute ATS1v numeric @attribute ATS2e numeric @attribute ATS2i numeric @attribute ATS2m numeric @attribute ATS2p numeric @attribute ATS2s numeric @attribute ATS2v numeric @attribute ATS3e numeric @attribute ATS3i numeric @attribute ATS3m numeric @attribute ATS3p numeric @attribute ATS3s numeric @attribute ATS3v numeric @attribute ATS4e numeric @attribute ATS4i numeric @attribute ATS4m numeric @attribute ATS4p numeric @attribute ATS4s numeric @attribute ATS4v numeric @attribute ATS5e numeric @attribute ATS5i numeric @attribute ATS5m numeric @attribute ATS5p numeric @attribute ATS5s numeric @attribute ATS5v numeric @attribute ATS6e numeric @attribute ATS6i numeric @attribute ATS6m numeric @attribute ATS6p numeric @attribute ATS6s numeric @attribute ATS6v numeric @attribute ATS7e numeric @attribute ATS7i numeric @attribute ATS7m numeric @attribute ATS7p numeric @attribute ATS7s numeric @attribute ATS7v numeric @attribute ATS8e numeric @attribute ATS8i numeric @attribute ATS8m numeric @attribute ATS8p numeric @attribute ATS8s numeric @attribute ATS8v numeric @attribute ATSC1e numeric @attribute ATSC1i numeric @attribute ATSC1m numeric @attribute ATSC1p numeric @attribute ATSC1s numeric @attribute ATSC1v numeric @attribute ATSC2e numeric @attribute ATSC2i numeric @attribute ATSC2m numeric @attribute ATSC2p numeric @attribute ATSC2s numeric @attribute ATSC2v numeric @attribute ATSC3e numeric @attribute ATSC3i numeric @attribute ATSC3m numeric @attribute ATSC3p numeric @attribute ATSC3s numeric @attribute ATSC3v numeric @attribute ATSC4e numeric @attribute ATSC4i numeric @attribute ATSC4m numeric @attribute ATSC4p numeric @attribute ATSC4s numeric @attribute ATSC4v numeric @attribute ATSC5e numeric @attribute ATSC5i numeric @attribute ATSC5m numeric @attribute ATSC5p numeric @attribute ATSC5s numeric @attribute ATSC5v numeric @attribute ATSC6e numeric @attribute ATSC6i numeric @attribute ATSC6m numeric @attribute ATSC6p numeric @attribute ATSC6s numeric @attribute ATSC6v numeric @attribute ATSC7e numeric @attribute ATSC7i numeric @attribute ATSC7m numeric @attribute ATSC7p numeric @attribute ATSC7s numeric @attribute ATSC7v numeric @attribute ATSC8e numeric @attribute ATSC8i numeric @attribute ATSC8m numeric @attribute ATSC8p numeric @attribute ATSC8s numeric @attribute ATSC8v numeric @attribute BAC numeric @attribute BBI numeric @attribute BIC0 numeric @attribute BIC1 numeric @attribute BIC2 numeric @attribute BIC3 numeric @attribute BIC4 numeric @attribute BIC5 numeric @attribute BID numeric @attribute BLI numeric @attribute BLTA96 numeric @attribute BLTD48 numeric @attribute BLTF96 numeric @attribute Br.094 numeric @attribute Br.095 numeric @attribute C. numeric @attribute C.001 numeric @attribute C.002 numeric @attribute C.003 numeric @attribute C.005 numeric @attribute C.006 numeric @attribute C.007 numeric @attribute C.008 numeric @attribute C.013 numeric @attribute C.014 numeric @attribute C.015 numeric @attribute C.016 numeric @attribute C.017 numeric @attribute C.019 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.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_DN numeric @attribute CATS2D_01_LL numeric @attribute CATS2D_01_NL numeric @attribute CATS2D_02_AA numeric @attribute CATS2D_02_AL numeric @attribute CATS2D_02_AP numeric @attribute CATS2D_02_DA numeric @attribute CATS2D_02_DD numeric @attribute CATS2D_02_DL numeric @attribute CATS2D_02_DP numeric @attribute CATS2D_02_LL numeric @attribute CATS2D_02_NL numeric @attribute CATS2D_02_PL numeric @attribute CATS2D_03_AA numeric @attribute CATS2D_03_AL numeric @attribute CATS2D_03_AP numeric @attribute CATS2D_03_DA numeric @attribute CATS2D_03_DD numeric @attribute CATS2D_03_DL numeric @attribute CATS2D_03_DP numeric @attribute CATS2D_03_LL numeric @attribute CATS2D_03_NL numeric @attribute CATS2D_03_PL numeric @attribute CATS2D_04_AA numeric @attribute CATS2D_04_AL numeric @attribute CATS2D_04_AN numeric @attribute CATS2D_04_AP numeric @attribute CATS2D_04_DA numeric @attribute CATS2D_04_DD numeric @attribute CATS2D_04_DL numeric @attribute CATS2D_04_DN numeric @attribute CATS2D_04_DP numeric @attribute CATS2D_04_LL numeric @attribute CATS2D_04_NL numeric @attribute CATS2D_04_PL numeric @attribute CATS2D_05_AA numeric @attribute CATS2D_05_AL numeric @attribute CATS2D_05_AN numeric @attribute CATS2D_05_AP numeric @attribute CATS2D_05_DA numeric @attribute CATS2D_05_DD numeric @attribute CATS2D_05_DL numeric @attribute CATS2D_05_DN numeric @attribute CATS2D_05_DP numeric @attribute CATS2D_05_LL numeric @attribute CATS2D_05_NL numeric @attribute CATS2D_05_PL numeric @attribute CATS2D_06_AA numeric @attribute CATS2D_06_AL numeric @attribute CATS2D_06_AN numeric @attribute CATS2D_06_AP numeric @attribute CATS2D_06_DA numeric @attribute CATS2D_06_DD numeric @attribute CATS2D_06_DL numeric @attribute CATS2D_06_DP numeric @attribute CATS2D_06_LL numeric @attribute CATS2D_06_NL numeric @attribute CATS2D_06_PL numeric @attribute CATS2D_07_AA numeric @attribute CATS2D_07_AL numeric @attribute CATS2D_07_AN numeric @attribute CATS2D_07_AP numeric @attribute CATS2D_07_DA numeric @attribute CATS2D_07_DD numeric @attribute CATS2D_07_DL numeric @attribute CATS2D_07_DP numeric @attribute CATS2D_07_LL numeric @attribute CATS2D_07_NL numeric @attribute CATS2D_07_PL numeric @attribute CATS2D_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_DN 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_PN 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 CSI numeric @attribute DBI numeric @attribute D.Dtr03 numeric @attribute D.Dtr05 numeric @attribute D.Dtr06 numeric @attribute D.Dtr07 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_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.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.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.dm. numeric @attribute Eig12_EA.ed. numeric @attribute Eig12_EA.ri. numeric @attribute Eig13_AEA.bo. numeric @attribute Eig13_AEA.dm. numeric @attribute Eig13_AEA.ed. numeric @attribute Eig13_AEA.ri. numeric @attribute Eig13_EA numeric @attribute Eig13_EA.bo. numeric @attribute Eig13_EA.dm. numeric @attribute Eig13_EA.ed. numeric @attribute Eig13_EA.ri. numeric @attribute Eig14_AEA.bo. numeric @attribute Eig14_AEA.dm. numeric @attribute Eig14_AEA.ed. numeric @attribute Eig14_AEA.ri. numeric @attribute Eig14_EA numeric @attribute Eig14_EA.bo. numeric @attribute Eig14_EA.dm. numeric @attribute Eig14_EA.ed. numeric @attribute Eig14_EA.ri. numeric @attribute Eig15_AEA.bo. numeric @attribute Eig15_AEA.dm. numeric @attribute Eig15_AEA.ed. numeric @attribute Eig15_AEA.ri. numeric @attribute Eig15_EA numeric @attribute Eig15_EA.bo. numeric @attribute Eig15_EA.dm. numeric @attribute Eig15_EA.ed. numeric @attribute Eig15_EA.ri. numeric @attribute Eta_alpha numeric @attribute Eta_alpha_A numeric @attribute Eta_B numeric @attribute Eta_B_A numeric @attribute Eta_beta numeric @attribute Eta_beta_A numeric @attribute Eta_betaP numeric @attribute Eta_betaP_A numeric @attribute Eta_betaS numeric @attribute Eta_betaS_A numeric @attribute Eta_C numeric @attribute Eta_C_A numeric @attribute Eta_epsi numeric @attribute Eta_epsi_A numeric @attribute Eta_F numeric @attribute Eta_F_A numeric @attribute Eta_FL numeric @attribute Eta_FL_A numeric @attribute Eta_L numeric @attribute Eta_L_A numeric @attribute Eta_sh_p numeric @attribute Eta_sh_x numeric @attribute Eta_sh_y numeric @attribute F.083 numeric @attribute F.084 numeric @attribute F.085 numeric @attribute GATS1e numeric @attribute GATS1i numeric @attribute GATS1m numeric @attribute GATS1p numeric @attribute GATS1s numeric @attribute GATS1v numeric @attribute GATS2e numeric @attribute GATS2i numeric @attribute GATS2m numeric @attribute GATS2p numeric @attribute GATS2s numeric @attribute GATS2v numeric @attribute GATS3e numeric @attribute GATS3i numeric @attribute GATS3m numeric @attribute GATS3p numeric @attribute GATS3s numeric @attribute GATS3v numeric @attribute GATS4e numeric @attribute GATS4i numeric @attribute GATS4m numeric @attribute GATS4p numeric @attribute GATS4s numeric @attribute GATS4v numeric @attribute GATS5e numeric @attribute GATS5i numeric @attribute GATS5m numeric @attribute GATS5p numeric @attribute GATS5s numeric @attribute GATS5v numeric @attribute GATS6e numeric @attribute GATS6i numeric @attribute GATS6m numeric @attribute GATS6p numeric @attribute GATS6s numeric @attribute GATS6v numeric @attribute GATS7e numeric @attribute GATS7i numeric @attribute GATS7m numeric @attribute GATS7p numeric @attribute GATS7s numeric @attribute GATS7v numeric @attribute GATS8e numeric @attribute GATS8i numeric @attribute GATS8m numeric @attribute GATS8p numeric @attribute GATS8s numeric @attribute GATS8v numeric @attribute GGI1 numeric @attribute GGI10 numeric @attribute GGI2 numeric @attribute GGI3 numeric @attribute GGI4 numeric @attribute GGI5 numeric @attribute GGI6 numeric @attribute GGI7 numeric @attribute GGI8 numeric @attribute GGI9 numeric @attribute GMTI numeric @attribute GMTIV numeric @attribute GNar numeric @attribute H. numeric @attribute H.046 numeric @attribute H.047 numeric @attribute H.048 numeric @attribute H.049 numeric @attribute H.050 numeric @attribute H.051 numeric @attribute H.052 numeric @attribute H.053 numeric @attribute 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.078 numeric @attribute NaaaC numeric @attribute NaaCH numeric @attribute NaaN numeric @attribute NaaNH numeric @attribute NaaO numeric @attribute NaaS numeric @attribute NaasC numeric @attribute NaasN numeric @attribute nAB numeric @attribute nArCN numeric @attribute nArC.N numeric @attribute nArCNO numeric @attribute nArCO numeric @attribute nArCONH2 numeric @attribute nArCONHR numeric @attribute nArCOOH numeric @attribute nArCOOR numeric @attribute nArNH2 numeric @attribute nArNHR numeric @attribute nArNO numeric @attribute nArNO2 numeric @attribute nArNR2 numeric @attribute nArOH numeric @attribute nArOR numeric @attribute nArX numeric @attribute nAT 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 nC.N.N. numeric @attribute nC..N.N2 numeric @attribute nCp numeric @attribute nCrs numeric @attribute nCrt numeric @attribute nCRX3 numeric @attribute nCs numeric @attribute nCsp numeric @attribute nCsp2 numeric @attribute nCsp3 numeric @attribute nCt numeric @attribute nDB numeric @attribute NdCH2 numeric @attribute NddsN numeric @attribute NddssS numeric @attribute NdO numeric @attribute NdsCH numeric @attribute NdsN numeric @attribute NdssC numeric @attribute Neoplastic.50 numeric @attribute Neoplastic.80 numeric @attribute nF numeric @attribute nFuranes numeric @attribute nH numeric @attribute nHAcc numeric @attribute nHDon numeric @attribute nHet numeric @attribute nHM numeric @attribute nI numeric @attribute nImidazoles numeric @attribute nN numeric @attribute nN. numeric @attribute nN.C.N. numeric @attribute nN.CO.2 numeric @attribute NNRS numeric @attribute nO numeric @attribute nOHp numeric @attribute nOHs 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 nR05 numeric @attribute nR06 numeric @attribute nR07 numeric @attribute nR09 numeric @attribute nR10 numeric @attribute nR11 numeric @attribute nR12 numeric @attribute nRCONHR numeric @attribute nRCONR2 numeric @attribute nRCOOR numeric @attribute nR.Cp numeric @attribute nR.Cs numeric @attribute nR.Ct numeric @attribute nRNH2 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 nS..O.2 numeric @attribute NsOH numeric @attribute NssCH2 numeric @attribute NssNH numeric @attribute NssO numeric @attribute NssS numeric @attribute NsssCH numeric @attribute NsssN numeric @attribute NssssC numeric @attribute nTB numeric @attribute nThiophenes numeric @attribute NtN numeric @attribute NtsC numeric @attribute nX numeric @attribute O. numeric @attribute O.056 numeric @attribute O.057 numeric @attribute O.058 numeric @attribute O.059 numeric @attribute O.060 numeric @attribute O.061 numeric @attribute ON0 numeric @attribute ON0V numeric @attribute ON1 numeric @attribute ON1V numeric @attribute PCD numeric @attribute PCR numeric @attribute PDI numeric @attribute PHI numeric @attribute piID numeric @attribute piPC01 numeric @attribute piPC02 numeric @attribute piPC03 numeric @attribute piPC04 numeric @attribute piPC05 numeric @attribute piPC06 numeric @attribute piPC07 numeric @attribute piPC08 numeric @attribute piPC09 numeric @attribute piPC10 numeric @attribute PJI2 numeric @attribute Pol numeric @attribute Psi_e_0 numeric @attribute Psi_e_0d numeric @attribute Psi_e_1 numeric @attribute Psi_e_A numeric @attribute Psi_i_0 numeric @attribute Psi_i_0d numeric @attribute Psi_i_1 numeric @attribute Psi_i_1d numeric @attribute Psi_i_A numeric @attribute Psi_i_s numeric @attribute Psi_i_t numeric @attribute Psychotic.50 numeric @attribute Psychotic.80 numeric @attribute P_VSA_e_1 numeric @attribute P_VSA_e_2 numeric @attribute P_VSA_e_3 numeric @attribute P_VSA_e_4 numeric @attribute P_VSA_e_5 numeric @attribute P_VSA_e_6 numeric @attribute P_VSA_i_1 numeric @attribute P_VSA_i_2 numeric @attribute P_VSA_i_3 numeric @attribute P_VSA_i_4 numeric @attribute P_VSA_LogP_1 numeric @attribute P_VSA_LogP_2 numeric @attribute P_VSA_LogP_3 numeric @attribute P_VSA_LogP_4 numeric @attribute P_VSA_LogP_5 numeric @attribute P_VSA_LogP_6 numeric @attribute P_VSA_LogP_7 numeric @attribute P_VSA_LogP_8 numeric @attribute P_VSA_m_1 numeric @attribute P_VSA_m_2 numeric @attribute P_VSA_m_3 numeric @attribute P_VSA_m_4 numeric @attribute P_VSA_m_5 numeric @attribute P_VSA_MR_1 numeric @attribute P_VSA_MR_2 numeric @attribute P_VSA_MR_3 numeric @attribute P_VSA_MR_4 numeric @attribute P_VSA_MR_5 numeric @attribute P_VSA_MR_6 numeric @attribute P_VSA_MR_7 numeric @attribute P_VSA_MR_8 numeric @attribute P_VSA_p_1 numeric @attribute P_VSA_p_2 numeric @attribute P_VSA_p_3 numeric @attribute P_VSA_p_4 numeric @attribute P_VSA_s_1 numeric @attribute P_VSA_s_2 numeric @attribute P_VSA_s_3 numeric @attribute P_VSA_s_4 numeric @attribute P_VSA_s_5 numeric @attribute P_VSA_s_6 numeric @attribute P_VSA_v_1 numeric @attribute P_VSA_v_2 numeric @attribute P_VSA_v_3 numeric @attribute P_VSA_v_4 numeric @attribute PW2 numeric @attribute PW3 numeric @attribute PW4 numeric @attribute PW5 numeric @attribute Qindex numeric @attribute Ram numeric @attribute RBF numeric @attribute RBN numeric @attribute Rbrid numeric @attribute RCI numeric @attribute RDCHI numeric @attribute RDSQ numeric @attribute RFD numeric @attribute Rperim numeric @attribute S0K numeric @attribute S.107 numeric @attribute S.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 SdO numeric @attribute SdsCH numeric @attribute SdsN numeric @attribute SdssC numeric @attribute Se numeric @attribute Si numeric @attribute SIC0 numeric @attribute SIC1 numeric @attribute SIC2 numeric @attribute SIC3 numeric @attribute SIC4 numeric @attribute SIC5 numeric @attribute SM02_AEA.bo. numeric @attribute SM02_AEA.dm. numeric @attribute SM02_AEA.ed. numeric @attribute SM02_AEA.ri. numeric @attribute SM02_EA numeric @attribute SM02_EA.bo. numeric @attribute SM02_EA.dm. numeric @attribute SM02_EA.ed. numeric @attribute SM02_EA.ri. numeric @attribute SM03_AEA.bo. numeric @attribute SM03_AEA.dm. numeric @attribute SM03_AEA.ed. numeric @attribute SM03_AEA.ri. numeric @attribute SM03_EA numeric @attribute SM03_EA.bo. numeric @attribute SM03_EA.dm. numeric @attribute SM03_EA.ed. numeric @attribute SM03_EA.ri. numeric @attribute SM04_AEA.bo. numeric @attribute SM04_AEA.dm. numeric @attribute SM04_AEA.ed. numeric @attribute SM04_AEA.ri. numeric @attribute SM04_EA numeric @attribute SM04_EA.bo. numeric @attribute SM04_EA.dm. numeric @attribute SM04_EA.ed. numeric @attribute SM04_EA.ri. numeric @attribute SM05_AEA.bo. numeric @attribute SM05_AEA.dm. numeric @attribute SM05_AEA.ed. numeric @attribute SM05_AEA.ri. numeric @attribute SM05_EA numeric @attribute SM05_EA.bo. numeric @attribute SM05_EA.dm. numeric @attribute SM05_EA.ed. numeric @attribute SM05_EA.ri. numeric @attribute SM06_AEA.bo. numeric @attribute SM06_AEA.dm. numeric @attribute SM06_AEA.ed. numeric @attribute SM06_AEA.ri. numeric @attribute SM06_EA numeric @attribute SM06_EA.bo. numeric @attribute SM06_EA.dm. numeric @attribute SM06_EA.ed. numeric @attribute SM06_EA.ri. numeric @attribute SM07_AEA.bo. numeric @attribute SM07_AEA.dm. numeric @attribute SM07_AEA.ed. numeric @attribute SM07_AEA.ri. numeric @attribute SM07_EA numeric @attribute SM07_EA.bo. numeric @attribute SM07_EA.dm. numeric @attribute SM07_EA.ed. numeric @attribute SM07_EA.ri. numeric @attribute SM08_AEA.bo. numeric @attribute SM08_AEA.dm. numeric @attribute SM08_AEA.ed. numeric @attribute SM08_AEA.ri. numeric @attribute SM08_EA numeric @attribute SM08_EA.bo. numeric @attribute SM08_EA.dm. numeric @attribute SM08_EA.ed. numeric @attribute SM08_EA.ri. numeric @attribute SM09_AEA.bo. numeric @attribute SM09_AEA.dm. numeric @attribute SM09_AEA.ed. numeric @attribute SM09_AEA.ri. numeric @attribute SM09_EA numeric @attribute SM09_EA.bo. numeric @attribute SM09_EA.dm. numeric @attribute SM09_EA.ed. numeric @attribute SM09_EA.ri. numeric @attribute SM10_AEA.bo. numeric @attribute SM10_AEA.dm. numeric @attribute SM10_AEA.ed. numeric @attribute SM10_AEA.ri. numeric @attribute SM10_EA numeric @attribute SM10_EA.bo. numeric @attribute SM10_EA.dm. numeric @attribute SM10_EA.ed. numeric @attribute SM10_EA.ri. numeric @attribute SM11_AEA.bo. numeric @attribute SM11_AEA.dm. numeric @attribute SM11_AEA.ed. numeric @attribute SM11_AEA.ri. numeric @attribute SM11_EA numeric @attribute SM11_EA.bo. numeric @attribute SM11_EA.dm. numeric @attribute SM11_EA.ed. numeric @attribute SM11_EA.ri. numeric @attribute SM12_AEA.bo. numeric @attribute SM12_AEA.dm. numeric @attribute SM12_AEA.ed. numeric @attribute SM12_AEA.ri. numeric @attribute SM12_EA numeric @attribute SM12_EA.bo. numeric @attribute SM12_EA.dm. numeric @attribute SM12_EA.ed. numeric @attribute SM12_EA.ri. numeric @attribute SM13_AEA.bo. numeric @attribute SM13_AEA.dm. numeric @attribute SM13_AEA.ed. numeric @attribute SM13_AEA.ri. numeric @attribute SM13_EA numeric @attribute SM13_EA.bo. numeric @attribute SM13_EA.dm. numeric @attribute SM13_EA.ed. numeric @attribute SM13_EA.ri. numeric @attribute SM14_AEA.bo. numeric @attribute SM14_AEA.dm. numeric @attribute SM14_AEA.ed. numeric @attribute SM14_AEA.ri. numeric @attribute SM14_EA numeric @attribute SM14_EA.bo. numeric @attribute SM14_EA.dm. numeric @attribute SM14_EA.ed. numeric @attribute SM14_EA.ri. numeric @attribute SM15_AEA.bo. numeric @attribute SM15_AEA.dm. numeric @attribute SM15_AEA.ed. numeric @attribute SM15_AEA.ri. numeric @attribute SM15_EA numeric @attribute SM15_EA.bo. numeric @attribute SM15_EA.dm. numeric @attribute SM15_EA.ed. numeric @attribute SM15_EA.ri. numeric @attribute SMTI numeric @attribute SMTIV numeric @attribute SNar numeric @attribute Sp numeric @attribute SpAD_AEA.bo. numeric @attribute SpAD_AEA.dm. numeric @attribute SpAD_AEA.ed. numeric @attribute SpAD_AEA.ri. numeric @attribute SpAD_EA numeric @attribute SpAD_EA.bo. numeric @attribute SpAD_EA.dm. numeric @attribute SpAD_EA.ed. numeric @attribute SpAD_EA.ri. numeric @attribute SpDiam_AEA.bo. numeric @attribute SpDiam_AEA.dm. numeric @attribute SpDiam_AEA.ed. numeric @attribute SpDiam_AEA.ri. numeric @attribute SpDiam_EA numeric @attribute SpDiam_EA.bo. numeric @attribute SpDiam_EA.dm. numeric @attribute SpDiam_EA.ed. numeric @attribute SpDiam_EA.ri. numeric @attribute SPI numeric @attribute SpMAD_AEA.bo. numeric @attribute SpMAD_AEA.dm. numeric @attribute SpMAD_AEA.ed. numeric @attribute SpMAD_AEA.ri. numeric @attribute SpMAD_EA numeric @attribute SpMAD_EA.bo. numeric @attribute SpMAD_EA.dm. numeric @attribute SpMAD_EA.ed. numeric @attribute SpMAD_EA.ri. numeric @attribute SpMax1_Bh.e. numeric @attribute SpMax1_Bh.i. numeric @attribute SpMax1_Bh.m. numeric @attribute SpMax1_Bh.p. numeric @attribute SpMax1_Bh.s. numeric @attribute SpMax1_Bh.v. numeric @attribute SpMax2_Bh.e. numeric @attribute SpMax2_Bh.i. numeric @attribute SpMax2_Bh.m. numeric @attribute SpMax2_Bh.p. numeric @attribute SpMax2_Bh.s. numeric @attribute SpMax2_Bh.v. numeric @attribute SpMax3_Bh.e. numeric @attribute SpMax3_Bh.i. numeric @attribute SpMax3_Bh.m. numeric @attribute SpMax3_Bh.p. numeric @attribute SpMax3_Bh.s. numeric @attribute SpMax3_Bh.v. numeric @attribute SpMax4_Bh.e. numeric @attribute SpMax4_Bh.i. numeric @attribute SpMax4_Bh.m. numeric @attribute SpMax4_Bh.p. numeric @attribute SpMax4_Bh.s. numeric @attribute SpMax4_Bh.v. numeric @attribute SpMax5_Bh.e. numeric @attribute SpMax5_Bh.i. numeric @attribute SpMax5_Bh.m. numeric @attribute SpMax5_Bh.p. numeric @attribute SpMax5_Bh.s. numeric @attribute SpMax5_Bh.v. numeric @attribute SpMax6_Bh.e. numeric @attribute SpMax6_Bh.i. numeric @attribute SpMax6_Bh.m. numeric @attribute SpMax6_Bh.p. numeric @attribute SpMax6_Bh.s. numeric @attribute SpMax6_Bh.v. numeric @attribute SpMax7_Bh.e. numeric @attribute SpMax7_Bh.i. numeric @attribute SpMax7_Bh.m. numeric @attribute SpMax7_Bh.p. numeric @attribute SpMax7_Bh.s. numeric @attribute SpMax7_Bh.v. numeric @attribute SpMax8_Bh.e. numeric @attribute SpMax8_Bh.i. numeric @attribute SpMax8_Bh.m. numeric @attribute SpMax8_Bh.p. numeric @attribute SpMax8_Bh.s. numeric @attribute SpMax8_Bh.v. numeric @attribute SpMaxA_AEA.bo. numeric @attribute SpMaxA_AEA.dm. numeric @attribute SpMaxA_AEA.ed. numeric @attribute SpMaxA_AEA.ri. numeric @attribute SpMaxA_EA numeric @attribute SpMax_AEA.bo. numeric @attribute SpMaxA_EA.bo. numeric @attribute SpMax_AEA.dm. numeric @attribute SpMaxA_EA.dm. numeric @attribute SpMax_AEA.ed. numeric @attribute SpMaxA_EA.ed. numeric @attribute SpMax_AEA.ri. numeric @attribute SpMaxA_EA.ri. numeric @attribute SpMax_EA numeric @attribute SpMax_EA.bo. numeric @attribute SpMax_EA.dm. numeric @attribute SpMax_EA.ed. numeric @attribute SpMax_EA.ri. numeric @attribute SpMin1_Bh.e. numeric @attribute SpMin1_Bh.i. numeric @attribute SpMin1_Bh.m. numeric @attribute SpMin1_Bh.p. numeric @attribute SpMin1_Bh.s. numeric @attribute SpMin1_Bh.v. numeric @attribute SpMin2_Bh.e. numeric @attribute SpMin2_Bh.i. numeric @attribute SpMin2_Bh.m. numeric @attribute SpMin2_Bh.p. numeric @attribute SpMin2_Bh.s. numeric @attribute SpMin2_Bh.v. numeric @attribute SpMin3_Bh.e. numeric @attribute SpMin3_Bh.i. numeric @attribute SpMin3_Bh.m. numeric @attribute SpMin3_Bh.p. numeric @attribute SpMin3_Bh.s. numeric @attribute SpMin3_Bh.v. numeric @attribute SpMin4_Bh.e. numeric @attribute SpMin4_Bh.i. numeric @attribute SpMin4_Bh.m. numeric @attribute SpMin4_Bh.p. numeric @attribute SpMin4_Bh.s. numeric @attribute SpMin4_Bh.v. numeric @attribute SpMin5_Bh.e. numeric @attribute SpMin5_Bh.i. numeric @attribute SpMin5_Bh.m. numeric @attribute SpMin5_Bh.p. numeric @attribute SpMin5_Bh.s. numeric @attribute SpMin5_Bh.v. numeric @attribute SpMin6_Bh.e. numeric @attribute SpMin6_Bh.i. numeric @attribute SpMin6_Bh.m. numeric @attribute SpMin6_Bh.p. numeric @attribute SpMin6_Bh.s. numeric @attribute SpMin6_Bh.v. numeric @attribute SpMin7_Bh.e. numeric @attribute SpMin7_Bh.i. numeric @attribute SpMin7_Bh.m. numeric @attribute SpMin7_Bh.p. numeric @attribute SpMin7_Bh.s. numeric @attribute SpMin7_Bh.v. numeric @attribute SpMin8_Bh.e. numeric @attribute SpMin8_Bh.i. numeric @attribute SpMin8_Bh.m. numeric @attribute SpMin8_Bh.p. numeric @attribute SpMin8_Bh.s. numeric @attribute SpMin8_Bh.v. numeric @attribute SRW02 numeric @attribute SRW03 numeric @attribute SRW04 numeric @attribute SRW05 numeric @attribute SRW06 numeric @attribute SRW07 numeric @attribute SRW08 numeric @attribute SRW09 numeric @attribute SRW10 numeric @attribute SsBr numeric @attribute SsCH3 numeric @attribute SsCl numeric @attribute SsF numeric @attribute SsI numeric @attribute SsNH2 numeric @attribute SsOH numeric @attribute SssCH2 numeric @attribute SssNH numeric @attribute SssO numeric @attribute SssS numeric @attribute SsssCH numeric @attribute SsssN numeric @attribute SssssC numeric @attribute StN numeric @attribute StsC numeric @attribute Sv numeric @attribute TIC0 numeric @attribute TIC1 numeric @attribute TIC2 numeric @attribute TIC3 numeric @attribute TIC4 numeric @attribute TIC5 numeric @attribute TIE numeric @attribute TPC numeric @attribute TPSA.NO. numeric @attribute TPSA.Tot. numeric @attribute TRS numeric @attribute TWC numeric @attribute Uc numeric @attribute Ui numeric @attribute Uindex numeric @attribute UNIP numeric @attribute VAR numeric @attribute Vindex numeric @attribute VvdwMG numeric @attribute VvdwZAZ numeric @attribute Vx numeric @attribute Wap numeric @attribute X. numeric @attribute X0 numeric @attribute X0A numeric @attribute X0Av numeric @attribute X0sol numeric @attribute X0v numeric @attribute X1 numeric @attribute X1A numeric @attribute X1Av numeric @attribute X1Kup numeric @attribute X1Mad numeric @attribute X1MulPer numeric @attribute X1Per numeric @attribute X1sol numeric @attribute X1v numeric @attribute X2 numeric @attribute X2A numeric @attribute X2Av numeric @attribute X2sol numeric @attribute X2v numeric @attribute X3 numeric @attribute X3A numeric @attribute X3Av numeric @attribute X3sol numeric @attribute X3v numeric @attribute X4 numeric @attribute X4A numeric @attribute X4Av numeric @attribute X4sol numeric @attribute X4v numeric @attribute X5 numeric @attribute X5A numeric @attribute X5Av numeric @attribute X5sol numeric @attribute X5v numeric @attribute Xindex numeric @attribute XMOD numeric @attribute Xt numeric @attribute Xu numeric @attribute Yindex numeric @attribute ZM1 numeric @attribute ZM1Kup numeric @attribute ZM1Mad numeric @attribute ZM1MulPer numeric @attribute ZM1Per numeric @attribute ZM1V numeric @attribute ZM2 numeric @attribute ZM2Kup numeric @attribute ZM2Mad numeric @attribute ZM2MulPer numeric @attribute ZM2Per numeric @attribute ZM2V numeric @attribute pXC50 numeric @data {1 1.751,2 7.227,3 5.079,4 25.793,5 87.388,6 11.131,7 0.8,8 3.634,9 3.721,10 3.534,11 3.293,12 4.933,13 3.287,14 4.075,15 4.169,16 3.982,17 3.726,18 5.277,19 3.698,20 4.329,21 4.468,22 4.169,23 3.821,24 5.529,25 3.781,26 4.371,27 4.521,28 4.154,29 3.787,30 5.662,31 3.742,32 4.312,33 4.464,34 4,35 3.585,36 5.721,37 3.587,38 4.191,39 4.348,40 3.856,41 3.496,42 5.654,43 3.464,44 4.027,45 4.183,46 3.785,47 3.373,48 5.344,49 3.292,50 3.747,51 3.962,52 3.487,53 3.035,54 4.912,55 2.868,56 0.136,57 0.451,58 1.902,59 2.344,60 13.523,61 2.24,62 0.137,63 0.696,64 2.448,65 3.999,66 10.601,67 4.283,68 0.257,69 0.898,70 13.301,71 5.95,72 25.099,73 6.153,74 0.357,75 0.947,76 17.825,77 6.403,78 28.601,79 6.301,80 0.458,81 0.878,82 15.794,83 5.753,84 47.522,85 4.879,86 0.453,87 0.742,88 14.932,89 5.368,90 59.219,91 5.046,92 0.326,93 0.606,94 13.359,95 4.904,96 39.532,97 4.303,98 0.248,99 0.449,100 10.934,101 4.33,102 27.514,103 4.595,104 11,105 37,106 0.317,107 0.638,108 0.745,109 0.867,110 0.905,111 0.905,112 3.149,113 0.892,114 -4.24,115 -4.18,116 -3.95,117 1,119 50,133 7,134 3,135 2,143 3,144 1,155 1,159 8,162 1,165 1,166 6,168 8,172 3,174 1,176 7,178 7,182 5,185 1,186 2,187 4,190 6,194 5,197 2,199 6,202 5,206 3,209 2,211 6,213 5,217 3,222 4,224 6,229 2,237 6,250 4,255 564,256 15.146,257 15.146,258 15.146,259 15.146,260 15.146,261 12.744,262 9.251,263 8.689,264 15.488,265 12.275,266 12.275,267 12.275,268 12.275,269 12.275,270 8.591,271 7.693,272 3.992,273 12.881,274 3.249,275 1.478,276 0.888,277 0.211,280 3.845,284 1,285 351,286 2.345,288 72.592,289 98.15,291 143.789,295 0.996,296 21.28,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47.25,307 159,308 4.794,309 3.46,310 7.086,311 4.348,312 3.376,313 4.763,314 0.894,315 12.268,316 3.28,317 4.534,318 3.207,319 6.645,320 4.031,321 3.065,322 4.491,324 10.653,325 2.959,326 3.886,327 2.792,328 6.035,329 3.426,330 2.491,331 3.408,333 8.39,334 2.308,335 3.487,336 2.514,337 5.386,338 3.013,339 2.062,340 2.874,342 6.347,343 1.939,344 3.238,345 2.061,346 4.967,347 2.741,348 1.807,349 2.555,351 5.282,352 1.672,353 3.143,354 1.969,355 4.846,356 2.628,357 1.685,358 2.434,360 5.055,361 1.552,362 2.893,363 1.619,364 4.225,365 2.395,366 1.418,367 2.075,369 3.559,370 1.367,371 2.797,372 1.452,373 3.768,374 2.311,375 1.329,376 1.932,378 2.969,379 1.299,380 2.568,381 1.37,382 3.591,383 2.011,384 1.047,385 1.479,386 2.465,387 0.994,388 2.156,389 0.981,390 3.445,391 1.584,392 0.67,393 0.971,394 1.725,395 0.57,396 1.894,397 0.66,398 2.787,399 1.203,400 0.222,401 0.363,402 0.369,403 0.216,404 1.206,405 0.247,406 2.524,407 0.732,408 -0.127,409 -0.161,411 -0.292,412 -0.087,413 0.854,414 -0.177,415 2.406,416 0.368,417 -0.553,418 -0.722,420 -1.29,421 -0.427,422 0.62,423 -0.469,424 2.278,425 0.136,426 -0.787,427 -1.059,429 -1.852,430 -0.707,431 0.613,432 -0.805,433 2.239,434 0.11,435 -0.875,436 -1.309,438 -2.105,439 -0.863,440 11.2,441 0.509,442 0.555,443 0.025,444 32.75,445 1.489,446 18.5,447 0.841,448 14.25,449 0.648,450 15.697,451 0.714,452 21.2,453 0.663,454 21.329,455 0.97,456 6.356,457 0.289,458 4.347,459 0.198,460 0.179,462 0.402,466 0.734,467 0.854,468 0.46,469 0.546,470 0.635,471 0.6,472 0.488,473 1.133,474 0.549,475 0.8,476 0.432,477 0.845,478 0.783,479 1.156,480 0.862,481 0.992,482 0.683,483 0.954,484 0.923,485 1.109,486 1.088,487 1.059,488 0.841,489 1.023,490 1.489,491 1.019,492 0.761,493 0.951,494 1.525,495 0.939,496 1.254,497 0.957,498 0.836,499 0.934,500 1.366,501 0.968,502 1.553,503 0.96,504 1.228,505 1.085,506 1.715,507 1.139,508 0.94,509 0.803,510 1.08,511 1.077,512 1.075,513 1.209,514 3.5,516 2.889,517 2.618,518 1.571,519 0.893,520 0.472,521 0.276,522 0.086,523 0.031,524 4459,525 15110,526 2.148,527 31.3,529 7,532 3,536 1.653,537 2,538 2.893,539 1.069,545 56.026,546 1.751,547 3.522,548 4.112,549 4.789,550 5,551 5,552 2.22,553 4.187,554 4.435,555 2.987,556 689.988,557 7.658,558 7213.71,560 1,563 160,564 1.437,565 4.388,566 0.14,568 0.078,569 0.067,570 0.042,571 0.028,572 0.017,573 0.014,574 0.009,575 0.008,576 0.403,577 0.33,578 1,579 0.797,580 97.516,581 -0.025,582 0.182,583 -0.01,584 0.154,585 -0.028,586 0.112,587 0.067,588 -0.153,589 0.001,590 -0.054,591 0.007,592 -0.073,593 -0.007,594 -0.167,595 -0.009,596 -0.1,597 -0.023,598 -0.053,599 0.022,600 -0.082,601 -0.073,602 -0.11,603 0.026,604 -0.106,605 -0.141,606 0.02,607 -0.024,608 -0.064,609 -0.108,610 -0.051,611 0.022,612 0.02,613 -0.022,614 0.005,615 0.09,616 -0.015,617 -0.309,618 -0.03,619 -0.064,620 -0.027,621 -0.297,622 -0.138,623 0.014,624 0.053,625 0.105,626 0.069,627 -0.039,628 0.006,629 1.668,630 4.341,631 0.818,632 13.694,633 1.023,634 1.107,635 3.008,636 9.045,637 0.76,638 3.258,639 3.638,640 4.025,641 4.394,642 4.635,643 4.762,644 4.913,645 5.056,646 5.03,647 5.03,648 4.574,649 0.738,650 356.19,651 3.258,652 4.828,653 5.733,654 6.661,655 7.586,656 8.521,657 9.453,658 10.39,659 11.325,660 12.263,661 9.4,669 2,673 1,674 4,675 7,677 2,680 5,682 20,693 1,696 1,698 1,699 32,700 21,701 2,702 25,703 1,704 35,705 16,706 16,707 5,708 7,710 4,711 6,721 16,724 1,728 1,730 1,736 10,737 3,738 3,739 6,740 1,743 3,747 0.5,748 2,756 2,759 2,760 2,762 2,777 2,780 1,785 22,788 1,800 1,801 6.3,803 1,804 1,808 11,809 5.793,810 4.806,811 1.808,812 4.259,813 1.575,814 1.052,815 3.061,816 11.663,817 3.611,818 4.337,819 5.094,820 5.83,821 6.413,822 6.875,823 7.386,824 7.902,825 8.191,826 8.587,827 0.8,828 39,829 8.082,831 3.602,832 7.898,833 15.153,835 12.899,837 2.398,838 52.75,842 82.398,843 87.522,844 98.809,846 68.057,849 133.476,850 150.455,851 52.855,854 66.334,855 68.057,856 47.714,857 26.329,858 82.398,859 45.954,860 82.398,861 140.377,862 68.057,864 45.954,865 82.398,866 68.057,869 33.571,870 87.522,871 19.284,872 45.954,873 82.398,874 120.911,875 133.476,878 82.398,879 21.188,880 66.334,881 79.525,882 87.34,883 82.398,884 120.911,885 133.476,887 0.588,888 0.374,889 0.226,890 0.125,891 21,892 9,893 0.057,894 2,895 2,896 1.222,897 3.309,898 191.973,899 0.222,900 18,901 96.107,904 13.552,905 4.97,906 1.934,907 3.112,908 87.34,909 13.06,911 6.115,914 2.188,916 76.254,917 336.785,918 36,922 11.341,924 3.167,926 32.724,927 35.416,928 0.35,929 0.704,930 0.822,931 0.958,932 1,933 1,934 4.852,935 1.329,936 5.746,937 3.559,938 4.317,939 5.024,940 0.956,941 6.661,942 4.227,943 6.115,944 1.047,945 7.366,946 2.969,947 4.007,948 5.007,950 7.753,951 3.844,952 7.466,953 0.67,954 9.089,955 2.465,956 5.999,957 7.428,958 0.824,959 10.937,960 5.845,961 8.864,962 0.222,963 10.874,964 1.725,965 6.553,966 8.293,968 12.882,969 6.344,970 10.299,971 -0.127,972 12.698,973 0.369,974 8.023,975 10.167,976 0.705,977 15.588,978 7.814,979 11.761,980 -0.553,981 14.548,982 -0.292,983 8.955,984 11.423,986 17.86,987 8.703,988 13.244,989 -0.787,990 16.418,991 -1.29,992 10.239,993 13.09,994 0.598,995 20.414,996 9.975,997 3.376,998 -0.875,999 18.302,1000 -1.852,1001 11.327,1002 14.515,1004 22.815,1005 11.03,1006 3.065,1007 12.268,1008 20.197,1009 -2.105,1010 12.548,1011 16.102,1012 0.504,1013 25.321,1014 12.231,1015 2.491,1016 10.653,1017 22.101,1018 4.763,1019 13.7,1020 17.597,1022 27.773,1023 13.352,1024 2.062,1025 8.39,1026 24.012,1027 4.491,1028 14.901,1029 19.156,1030 0.422,1031 30.267,1032 14.53,1033 1.807,1034 6.347,1035 25.928,1036 3.408,1037 16.08,1038 20.679,1040 32.742,1041 15.68,1042 1.685,1043 5.282,1044 27.849,1045 2.874,1046 17.278,1047 22.228,1048 0.35,1049 35.234,1050 16.852,1051 1.418,1052 5.055,1053 29.774,1054 2.555,1055 18.469,1056 23.763,1058 37.72,1059 18.015,1060 4262,1061 7948,1062 16.819,1063 24.324,1064 39.102,1065 40.112,1066 40.788,1067 38.613,1068 38.345,1069 54.69,1070 1.789,1071 118.168,1072 36.313,1073 5.489,1074 5.46,1075 6.767,1076 5.387,1077 5.376,1078 7.763,1079 1.789,1080 20.004,1081 5.28,1082 9.651,1083 1.564,1084 1.604,1085 1.632,1086 1.545,1087 1.534,1088 2.188,1089 0.072,1090 4.727,1091 1.453,1092 4.201,1093 4.228,1094 6.881,1095 4.12,1096 7.529,1097 4.127,1098 4.018,1099 4.047,1100 4.157,1101 3.948,1102 6.473,1103 3.948,1104 3.481,1105 3.518,1106 3.943,1107 3.392,1108 4.978,1109 3.385,1110 3.331,1111 3.384,1112 3.375,1113 3.147,1114 4.827,1115 3.163,1116 3.051,1117 3.108,1118 3.244,1119 2.927,1120 4.291,1121 2.868,1122 2.931,1123 2.963,1124 2.987,1125 2.828,1126 4.122,1127 2.832,1128 2.756,1129 2.804,1130 2.679,1131 2.359,1132 3.805,1133 2.437,1134 2.606,1135 2.632,1136 2.636,1137 2.337,1138 3.758,1139 2.36,1140 0.192,1141 0.138,1142 0.283,1143 0.174,1144 0.135,1145 4.794,1146 0.191,1147 3.46,1148 0.036,1149 7.086,1150 0.491,1151 4.348,1152 0.131,1153 3.376,1154 4.763,1155 0.894,1156 12.268,1157 3.28,1158 1.935,1159 1.92,1160 2.022,1161 2.014,1162 1.171,1163 2.017,1164 1.926,1165 1.901,1166 1.982,1167 1.992,1168 1.132,1169 2,1170 1.626,1171 1.595,1172 1.675,1173 1.82,1174 0.808,1175 1.78,1176 1.251,1177 1.201,1178 1.384,1179 1.535,1180 0.401,1181 1.492,1182 1.036,1183 0.984,1184 1.202,1185 1.286,1186 0.287,1187 1.25,1188 0.96,1189 0.912,1190 1.15,1191 1.114,1192 0.258,1193 1.125,1194 0.751,1195 0.716,1196 0.992,1197 0.96,1198 0.072,1199 0.974,1200 0.693,1201 0.637,1202 0.877,1203 0.906,1205 0.928,1206 3.932,1208 5.293,1209 3.045,1210 6.864,1211 5.533,1212 8.53,1213 7.743,1214 10.245,1215 3.449,1221 10.317,1231 23.626,1232 56.026,1233 112.697,1234 131.594,1235 153.245,1236 160,1237 160,1238 33.175,1239 7.404,1240 81.24,1241 81.24,1242 22,1243 12.76,1244 4.459,1245 3.585,1246 29.622,1247 60,1248 51,1249 0.252,1250 148.617,1251 238.42,1252 354.385,1253 14880,1254 3.1,1255 15.267,1256 0.694,1257 0.582,1258 16.267,1259 12.808,1260 10.703,1261 0.428,1262 0.297,1263 6.614,1264 9.82,1265 6.46,1266 5.31,1267 11.28,1268 7.433,1269 9.706,1270 0.262,1271 0.158,1272 10.448,1273 5.851,1274 8.882,1275 0.161,1276 0.081,1277 9.598,1278 4.444,1279 8.141,1280 0.102,1281 0.041,1282 8.729,1283 3.289,1284 6.706,1285 0.066,1286 0.022,1287 7.263,1288 2.219,1289 0.372,1290 75.246,1291 0.244,1292 20.841,1293 0.771,1294 124,1295 372.851,1296 199.02,1297 404.5,1298 546.38,1299 374,1300 154,1301 388.657,1302 198.813,1303 406.14,1304 598.37,1305 383,1306 5.721} {0 CHEMBL1179821,1 1.694,2 9.238,3 0.337,4 0.113,5 77.295,6 7.793,7 0.261,8 3.748,9 3.866,10 3.346,11 3.175,12 4.903,13 3.205,14 4.272,15 4.44,16 3.7,17 3.542,18 5.426,19 3.555,20 4.38,21 4.578,22 3.657,23 3.593,24 5.562,25 3.571,26 4.403,27 4.619,28 3.472,29 3.529,30 5.509,31 3.481,32 4.274,33 4.493,34 3.415,35 3.449,36 5.375,37 3.395,38 4.273,39 4.491,40 3.392,41 3.374,42 5.422,43 3.337,44 4.189,45 4.401,46 3.306,47 3.261,48 5.459,49 3.213,50 4.097,51 4.343,52 3.085,53 3.119,54 5.174,55 3.036,56 0.105,57 0.565,58 7.342,59 2.887,60 10.148,61 3.778,62 0.482,63 0.846,64 14.825,65 4.786,66 26.176,67 6.317,68 0.355,69 0.906,70 16.841,71 5.533,72 33.087,73 7.776,74 0.494,75 0.874,76 18.291,77 5.071,78 45.867,79 7.286,80 0.334,81 0.793,82 15.671,83 5.078,84 30.21,85 7.206,86 0.393,87 0.749,88 16.16,89 4.624,90 39.251,91 6.708,92 0.489,93 0.663,94 14.881,95 4.323,96 53.679,97 6.293,98 0.425,99 0.565,100 14.388,101 4.259,102 38.539,103 6.34,104 13,105 32,106 0.309,107 0.692,108 0.823,109 0.876,110 0.886,111 0.886,112 3.103,113 0.862,114 -2.49,115 -2.52,116 -2.46,119 37.8,123 1,124 2,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,152 1,153 1,154 1,159 4,161 3,162 3,164 2,168 4,171 1,172 7,175 1,177 1,178 2,182 7,185 1,187 1,194 6,196 2,197 2,199 1,205 1,206 2,211 2,216 3,219 1,220 1,222 2,226 1,228 2,232 1,234 1,239 1,245 1,247 2,252 2,255 554,256 14.301,257 14.301,258 14.301,259 14.301,260 14.301,261 13.119,262 18.122,263 8.515,264 14.667,265 11.305,266 11.305,267 11.305,268 11.305,269 11.305,270 9.27,271 20.645,272 3.999,273 11.893,274 3.515,275 1.406,276 0.689,277 0.399,278 0.345,279 0.345,280 3.781,284 1,285 417,286 2.739,288 107.28,289 53.499,291 85.605,295 1.51,296 23.892,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 47,307 194,308 4.451,309 3.813,310 6.612,311 4.094,312 3.142,313 3.987,314 1.399,315 10.397,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.686,327 2.874,328 5.555,329 3.319,330 2.355,331 2.981,332 1.005,333 7.247,334 2.26,335 3.363,336 2.478,337 5.172,338 2.978,339 2.011,340 2.524,341 0.532,342 6.093,343 1.929,344 2.972,345 2.009,346 4.683,347 2.56,348 1.622,349 2.029,350 0.27,351 4.625,352 1.517,353 2.885,354 1.983,355 4.362,356 2.477,357 1.534,358 1.985,359 0.204,360 4.197,361 1.437,362 2.473,363 1.761,364 3.509,365 2.306,366 1.347,367 1.45,369 2.608,370 1.285,371 2.202,372 1.673,373 3.451,374 2.092,375 1.098,376 1.181,378 2.451,379 1.09,380 1.883,381 1.256,382 3.145,383 1.474,384 0.514,385 0.623,386 1.233,387 0.487,388 1.654,389 0.797,390 2.956,391 1.353,392 0.401,393 0.453,394 0.773,395 0.377,396 1.398,397 0.62,398 2.643,399 1.053,400 0.105,401 0.136,402 0.223,403 0.1,404 0.894,405 -0.021,406 2.366,407 0.625,408 -0.342,409 -0.383,411 -0.785,412 -0.326,413 0.59,414 -0.376,415 2.181,416 0.188,417 -0.769,418 -0.974,420 -1.793,421 -0.733,422 0.419,423 -0.582,424 1.949,425 0.075,426 -0.911,427 -1.175,429 -2.504,430 -0.892,431 0.213,432 -0.596,433 1.643,434 -0.128,435 -1.129,436 -1.255,438 -2.537,439 -1.085,440 9.6,441 0.457,442 0.486,443 0.023,444 26.25,445 1.25,446 11.5,447 0.548,448 14.75,449 0.702,450 14.432,451 0.687,452 23.4,453 0.632,454 18.789,455 0.895,456 5.56,457 0.265,458 4.626,459 0.22,460 0.128,462 0.354,466 0.92,467 1.505,468 0.754,469 1.2,470 0.771,471 0.963,472 0.981,473 0.835,474 0.838,475 0.802,476 0.727,477 0.782,478 0.866,479 1.129,480 0.869,481 1.079,482 0.813,483 0.985,484 1.217,485 0.961,486 1.188,487 0.93,488 1.338,489 1.017,490 0.857,491 1.019,492 0.969,493 1.065,494 0.929,495 1.042,496 1.092,497 1.11,498 1.003,499 1.02,500 1.505,501 0.991,502 0.84,503 1.058,504 1.011,505 1.093,506 1.299,507 1.093,508 0.676,509 0.912,510 0.864,511 1.004,512 1.015,513 0.986,514 4,515 0.041,516 2.444,517 1.896,518 0.898,519 0.66,520 0.416,521 0.24,522 0.183,523 0.075,524 4411,525 13131,526 2.074,527 43.2,529 11,530 2,532 3,536 1.63,537 1.938,538 3.196,539 1.156,541 1,545 62.692,546 1.694,547 3.803,548 4.52,549 4.811,550 4.865,551 4.865,552 2.725,553 4.297,554 4.361,555 3.326,556 698.511,557 7.467,558 7400.04,560 1,563 192.75,564 1.418,565 4.322,566 0.174,567 0.007,568 0.076,569 0.063,570 0.037,571 0.029,572 0.019,573 0.013,574 0.012,575 0.008,576 0.438,577 0.5,578 1,579 1.238,580 95.053,581 -0.123,582 -0.251,583 0.044,584 -0.116,585 -0.133,586 -0.006,587 0.068,588 0.285,589 0.078,590 0.191,591 0.002,592 0.146,593 -0.015,594 -0.073,595 0.047,596 -0.071,597 0.084,598 -0.006,599 -0.233,600 0.062,601 -0.228,602 0.014,603 -0.201,604 -0.079,605 -0.051,606 0.005,607 -0.038,608 -0.069,609 -0.002,610 -0.053,611 -0.112,612 -0.13,613 -0.03,614 -0.058,615 -0.127,616 -0.028,617 0.199,618 -0.089,619 -0.03,620 -0.135,621 0.097,622 -0.138,623 0.265,624 -0.033,625 0.149,626 -0.031,627 0.069,628 0.023,629 1.827,630 5.133,631 0.667,632 16.15,633 1.019,634 1.138,635 1.261,636 1.591,637 0.647,638 3.178,639 3.497,640 3.784,641 4.025,642 4.143,643 4.19,644 4.29,645 4.394,646 4.369,647 4.443,648 5.453,649 0.632,650 288.34,651 3.178,652 4.71,653 5.565,654 6.441,655 7.315,656 8.198,657 9.079,658 9.964,659 10.847,660 11.734,661 10.8,662 1,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 37,700 9,701 1,702 23,704 39,705 14,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 1,721 10,722 4,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 16,737 7,738 3,739 7,743 4,747 0.667,748 3,759 2,760 1,762 1,767 1,770 2,772 1,773 1,777 2,781 1,785 21,786 1,789 3,790 1,791 2,794 1,801 8.1,804 1,806 2,808 10.833,809 6.817,810 4.694,811 2.032,812 2.176,813 1.321,814 0.98,815 3.921,816 8.953,817 3.401,818 3.942,819 4.503,820 5.003,821 5.474,822 5.738,823 6.118,824 6.504,825 6.757,826 6.969,827 1,828 30,829 7.732,831 3.262,832 7.881,833 14.497,835 11.551,837 2.381,838 50,842 153.024,843 80.196,844 70.818,846 47.145,849 80.196,850 200.169,851 70.818,852 8.396,853 46.883,854 55.916,855 32.606,856 52.458,857 25.441,858 129.482,860 153.024,861 151.014,862 47.145,865 153.024,866 47.145,869 81.679,870 57.101,871 12.233,873 153.024,874 117.962,875 80.196,878 153.024,879 33.895,880 49.426,881 18.011,882 96.827,883 153.024,884 117.962,885 80.196,887 0.576,888 0.344,889 0.183,890 0.094,891 16,892 7,893 0.103,894 4,895 1,896 1.143,897 3.381,898 159.103,899 0.143,900 14,901 92.239,904 14.071,905 5.852,906 2.784,908 117.962,909 5.493,914 2.217,916 50.908,917 351.183,918 29,922 12.133,923 1.72,924 4.292,925 0.723,926 37.691,927 42.113,928 0.325,929 0.73,930 0.868,931 0.923,932 0.934,933 0.934,934 4.649,935 1.098,936 5.549,937 2.608,938 4.174,939 4.625,940 2.409,941 6.365,942 4.08,943 5.841,944 0.514,945 7.114,946 2.451,947 3.761,948 4.425,949 0.81,950 7.252,951 3.617,952 7.149,953 0.401,954 8.78,955 1.233,956 5.771,957 6.748,958 2.778,959 10.362,960 5.581,961 8.497,962 0.105,963 10.504,964 0.773,965 6.217,966 7.366,967 1.554,968 12.077,969 5.969,970 9.878,971 -0.342,972 12.264,973 0.223,974 7.677,975 9.168,976 3.292,977 14.684,978 7.392,979 11.281,980 -0.769,981 14.049,982 -0.785,983 8.506,984 10.152,985 2.257,986 16.74,987 8.16,988 12.702,989 -0.911,990 15.852,991 -1.793,992 9.757,993 11.736,994 3.873,995 19.169,996 9.373,997 3.142,998 -1.129,999 17.668,1000 -2.504,1001 10.754,1002 12.9,1003 2.951,1004 21.372,1005 10.312,1006 2.932,1007 10.397,1008 19.495,1009 -2.537,1010 11.924,1011 14.38,1012 4.489,1013 23.735,1014 11.442,1015 2.355,1016 9.256,1017 21.33,1018 3.987,1019 12.994,1020 15.636,1021 3.641,1022 26.003,1023 12.457,1024 2.011,1025 7.247,1026 23.172,1027 3.772,1028 14.135,1029 17.064,1030 5.126,1031 28.342,1032 13.554,1033 1.622,1034 6.093,1035 25.019,1036 2.981,1037 15.236,1038 18.37,1039 4.328,1040 30.64,1041 14.604,1042 1.534,1043 4.625,1044 26.871,1045 2.524,1046 16.367,1047 19.771,1048 5.774,1049 32.971,1050 15.69,1051 1.347,1052 4.197,1053 28.727,1054 2.029,1055 17.484,1056 21.104,1057 5.012,1058 35.285,1059 16.756,1060 4324,1061 7571,1062 15.315,1063 23.955,1064 34.739,1065 36.012,1066 35.628,1067 34.136,1068 34.124,1069 42.24,1070 9.603,1071 98.205,1072 32.521,1073 5.357,1074 5.813,1075 6.473,1076 5.137,1077 5.142,1078 6.987,1079 2.791,1080 17.431,1081 4.997,1082 9.739,1083 1.51,1084 1.566,1085 1.549,1086 1.484,1087 1.484,1088 1.837,1089 0.418,1090 4.27,1091 1.414,1092 3.999,1093 4.02,1094 3.961,1095 3.897,1096 7.428,1097 3.907,1098 3.821,1099 3.862,1100 3.784,1101 3.61,1102 5.024,1103 3.649,1104 3.551,1105 3.634,1106 3.398,1107 3.334,1108 5.001,1109 3.337,1110 3.333,1111 3.371,1112 3.227,1113 3.092,1114 4.737,1115 3.118,1116 3.092,1117 3.178,1118 2.912,1119 2.876,1120 4.354,1121 2.875,1122 2.993,1123 3.103,1124 2.845,1125 2.71,1126 3.997,1127 2.706,1128 2.846,1129 2.898,1130 2.707,1131 2.632,1132 3.9,1133 2.658,1134 2.656,1135 2.711,1136 2.511,1137 2.441,1138 3.854,1139 2.446,1140 0.194,1141 0.166,1142 0.287,1143 0.178,1144 0.137,1145 4.451,1146 0.173,1147 3.813,1148 0.061,1149 6.612,1150 0.452,1151 4.094,1152 0.13,1153 3.142,1154 3.987,1155 1.399,1156 10.397,1157 2.997,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.972,1164 1.595,1165 1.511,1166 1.837,1167 1.87,1168 1.035,1169 1.863,1170 1.463,1171 1.438,1172 1.669,1173 1.699,1174 0.737,1175 1.689,1176 1.345,1177 1.264,1178 1.5,1179 1.575,1180 0.585,1181 1.552,1182 1.156,1183 1.123,1184 1.433,1185 1.516,1186 0.557,1187 1.481,1188 0.921,1189 0.816,1190 1.257,1191 1.275,1192 0.24,1193 1.287,1194 0.794,1195 0.742,1196 1.081,1197 1.007,1198 0.153,1199 1.021,1200 0.729,1201 0.696,1202 0.946,1203 0.988,1205 0.992,1206 3.85,1208 5.165,1209 3.045,1210 6.666,1211 5.416,1212 8.253,1213 7.496,1214 9.888,1216 1.672,1220 5.436,1222 1.262,1223 3.013,1224 10.572,1227 1.467,1231 23.391,1232 62.692,1233 140.711,1234 167.24,1235 177.995,1236 179.995,1237 179.995,1238 30.241,1239 6.777,1240 91.4,1241 91.4,1242 16,1243 12.266,1244 3.322,1245 2.807,1246 32.258,1247 68,1248 76,1249 0.236,1250 144.485,1251 257.31,1252 344.302,1253 7076,1255 14.82,1256 0.706,1257 0.554,1258 14.82,1259 11.627,1260 10.186,1261 0.443,1262 0.287,1263 6.449,1264 9.6,1265 6.318,1266 5.245,1267 10.186,1268 6.609,1269 8.982,1270 0.281,1271 0.146,1272 8.982,1273 4.657,1274 7.885,1275 0.183,1276 0.074,1277 7.885,1278 3.195,1279 6.277,1280 0.114,1281 0.038,1282 6.277,1283 2.102,1284 4.691,1285 0.076,1286 0.021,1287 4.691,1288 1.294,1289 0.366,1290 65.347,1291 0.256,1292 20.862,1293 0.653,1294 110,1295 374.142,1296 126.57,1297 349.042,1298 476.33,1299 328,1300 130,1301 350.644,1302 147.349,1303 350.993,1304 518.6,1305 328,1306 6.041} {0 CHEMBL1233659,1 1.83,2 8.56,3 4.683,4 21.931,5 94.147,6 11.434,7 0.714,8 3.734,9 3.806,10 3.637,11 3.354,12 5.112,13 3.371,14 4.164,15 4.239,16 4.094,17 3.79,18 5.568,19 3.785,20 4.426,21 4.541,22 4.279,23 3.906,24 5.752,25 3.893,26 4.516,27 4.648,28 4.27,29 3.889,30 5.902,31 3.871,32 4.457,33 4.597,34 4.149,35 3.705,36 5.91,37 3.735,38 4.355,39 4.49,40 4.07,41 3.612,42 5.962,43 3.626,44 4.219,45 4.353,46 3.963,47 3.495,48 5.83,49 3.462,50 3.933,51 4.104,52 3.746,53 3.228,54 5.272,55 3.159,56 0.228,57 0.492,58 1.784,59 2.654,60 26.488,61 2.134,62 0.324,63 0.757,64 1.744,65 4.424,66 44.563,67 4.186,68 0.442,69 0.976,70 11.413,71 6.378,72 51.51,73 5.896,74 0.626,75 1.057,76 17.731,77 7.267,78 70.253,79 6.319,80 0.684,81 0.984,82 17.02,83 6.633,84 88.587,85 5.534,86 0.704,87 0.869,88 14.498,89 5.848,90 85.894,91 5.326,92 0.695,93 0.716,94 13.898,95 5.566,96 113.454,97 4.326,98 0.383,99 0.525,100 10.948,101 4.836,102 52.975,103 4.863,104 30,105 42,106 0.324,107 0.681,108 0.81,109 0.909,110 0.909,111 0.909,112 3.269,113 0.859,114 -3.68,115 -3.65,116 -3.47,117 1,119 48.6,133 6,134 4,135 2,143 3,144 1,147 1,155 1,156 1,158 1,159 8,160 1,162 2,164 1,165 1,166 7,168 8,169 2,172 5,174 1,176 9,178 7,179 2,182 7,185 1,186 2,187 6,190 6,194 5,195 1,197 2,199 6,200 1,202 5,205 1,206 3,207 1,209 4,210 1,211 6,213 5,214 1,216 1,217 4,220 1,222 5,224 6,225 1,229 3,234 1,235 2,237 6,238 1,242 1,245 2,246 2,247 1,250 4,251 1,255 835,256 16.801,257 16.801,258 16.801,259 16.801,260 16.801,261 14.282,262 11.529,263 9.47,264 17.149,265 13.727,266 13.727,267 13.727,268 13.727,269 13.727,270 9.768,271 9.343,272 4.35,273 14.337,274 3.299,275 1.286,276 0.557,280 3.96,284 1,285 465,286 3,288 90.164,289 117.709,291 174.684,295 1.338,296 35.642,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 55.25,307 214,308 4.799,309 3.586,310 7.087,311 4.353,312 3.381,313 4.77,314 1.437,315 12.276,316 3.287,317 4.557,318 3.453,319 6.659,320 4.062,321 3.092,322 4.514,323 0.894,324 10.713,325 3.001,326 4.055,327 3.203,328 6.076,329 3.671,330 2.685,331 3.562,333 8.604,334 2.634,335 3.819,336 2.792,337 5.856,338 3.37,339 2.432,340 3.275,342 7.87,343 2.249,344 3.442,345 2.524,346 5.366,347 2.968,348 2.012,349 2.801,351 6.282,352 1.906,353 3.238,354 2.081,355 4.967,356 2.741,357 1.807,358 2.554,360 5.282,361 1.669,362 3.094,363 2.016,364 4.848,365 2.591,366 1.652,367 2.335,369 5.039,370 1.502,371 2.858,372 1.756,373 4.227,374 2.357,375 1.38,376 2.013,378 3.533,379 1.34,380 2.747,381 1.605,382 3.828,383 2.221,384 1.222,385 1.766,386 2.907,387 1.201,388 2.568,389 1.415,390 3.74,391 2.011,392 1.046,393 1.478,394 2.536,395 0.994,396 2.161,397 0.988,398 3.483,399 1.595,400 0.68,401 0.982,402 1.787,403 0.579,404 1.926,405 0.711,406 2.861,407 1.237,408 0.256,409 0.414,411 0.447,412 0.249,413 1.216,414 0.449,415 2.55,416 0.742,417 -0.123,418 -0.157,420 -0.279,421 -0.085,422 0.946,423 0.263,424 2.426,425 0.441,426 -0.507,427 -0.688,429 -1.178,430 -0.411,431 0.692,432 -0.163,433 2.352,434 0.233,435 -0.687,436 -0.882,438 -1.69,439 -0.6,440 12.367,441 0.495,442 0.751,443 0.03,444 36.25,445 1.45,446 20,447 0.8,448 16.25,449 0.65,450 18.743,451 0.75,452 24.833,453 0.71,454 26.679,455 1.067,456 7.145,457 0.286,458 4.862,459 0.194,460 0.216,462 0.445,466 0.8,467 0.845,468 0.471,469 0.542,470 0.71,471 0.573,472 0.444,473 1.104,474 0.554,475 0.782,476 0.393,477 0.821,478 0.767,479 1.193,480 0.881,481 1.032,482 0.67,483 1.011,484 0.99,485 1.093,486 1.081,487 1.044,488 0.927,489 1.062,490 1.226,491 1.088,492 0.734,493 0.952,494 1.2,495 0.934,496 0.925,497 0.983,498 0.796,499 0.949,500 1.005,501 0.982,502 1.281,503 0.869,504 1.173,505 0.975,506 1.274,507 1.084,508 0.93,509 0.901,510 0.991,511 1.055,512 1.033,513 1.081,514 5,515 0.07,516 3.556,517 2.806,518 1.922,519 1.264,520 0.694,521 0.37,522 0.241,523 0.144,524 6258,525 24760,526 2.081,527 28.6,529 6,532 4,536 1.687,537 1.899,538 3.092,539 1.815,545 64.064,546 1.83,547 3.843,548 4.572,549 5.129,550 5.129,551 5.129,552 2.539,553 4.484,554 4.615,555 3.225,556 967.361,557 8.016,558 11062.6,560 1,563 179.525,564 1.516,565 4.552,566 0.179,567 0.012,568 0.085,569 0.062,570 0.045,571 0.032,572 0.02,573 0.014,574 0.013,575 0.01,576 0.472,577 0.33,578 1,579 0.942,580 117.11,581 -0.102,582 0.207,583 -0.018,584 0.192,585 -0.09,586 0.145,587 0.144,588 -0.098,589 0.004,590 -0.008,591 0.134,592 -0.047,593 -0.055,594 -0.191,595 -0.029,596 -0.138,597 -0.027,598 -0.113,599 -0.109,600 -0.075,601 -0.092,602 -0.093,603 -0.091,604 -0.124,605 -0.164,606 -0.069,607 -0.007,608 -0.061,609 -0.151,610 0.006,611 0.148,612 0.037,613 -0.011,614 -0.041,615 0.095,616 -0.041,617 -0.119,618 0.086,619 -0.069,620 0.058,621 -0.021,622 -0.084,623 0.001,624 -0.038,625 0.122,626 0.032,627 -0.055,628 0.104,629 2.764,630 4.475,631 0.72,632 18.368,633 1.039,634 1.11,635 2.449,636 6,637 0.75,638 3.367,639 3.761,640 4.127,641 4.477,642 4.745,643 4.92,644 5.081,645 5.247,646 5.303,647 5.333,648 5.218,649 0.744,650 400.2,651 3.367,652 4.949,653 5.849,654 6.777,655 7.7,656 8.634,657 9.566,658 10.503,659 11.437,660 12.376,661 8.6,669 2,673 1,674 4,675 6,677 2,680 6,682 20,689 1,693 1,696 1,698 1,699 35,700 22,701 2,702 28,703 1,704 38,705 17,706 16,707 6,708 6,709 1,710 4,711 6,721 17,724 2,728 2,730 1,731 1,733 1,736 10,737 5,738 4,739 8,740 1,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,775 1,777 2,780 1,785 25,788 2,800 1,801 11.4,803 2,804 2,808 13.167,809 6.326,810 5.417,811 1.907,812 4.286,813 1.557,814 1.007,815 3.723,816 11.977,817 3.714,818 4.437,819 5.173,820 5.897,821 6.505,822 7.013,823 7.533,824 8.053,825 8.411,826 8.822,827 0.833,828 45,829 9.215,831 4.182,832 8.183,833 16.781,835 14.204,837 2.683,838 67.083,842 70.627,843 82.141,844 98.809,846 135.885,849 128.095,850 206.512,851 52.855,854 56.857,855 136.795,856 50.9,857 26.329,858 70.627,859 45.954,860 70.627,861 134.996,862 135.885,864 45.954,865 70.627,866 135.885,869 33.571,870 82.141,871 19.284,872 45.954,873 70.627,874 188.74,875 128.095,878 70.627,879 25.284,880 56.857,881 79.525,882 155.169,883 70.627,884 188.74,885 128.095,887 0.596,888 0.37,889 0.21,890 0.119,891 23,892 11,893 0.079,894 3,895 2,896 1.222,897 3.506,898 227.242,899 0.222,900 18,901 114.096,904 16.025,905 5.809,906 2.398,907 2.311,908 155.169,909 9.822,911 5.924,914 1.477,916 118.938,917 387.462,918 40,922 22.652,924 3.075,925 -1.097,926 36.378,927 38.835,928 0.357,929 0.749,930 0.891,931 1,932 1,933 1,934 4.97,935 1.38,936 5.878,937 5.039,938 4.443,939 5.124,940 1.906,941 6.79,942 4.362,943 6.241,944 1.222,945 7.503,946 3.533,947 4.205,948 5.165,950 7.879,951 4.069,952 7.598,953 1.046,954 9.227,955 2.907,956 6.133,957 7.518,958 2.38,959 11.039,960 5.999,961 8.997,962 0.68,963 11.008,964 2.536,965 6.711,966 8.399,968 12.959,969 6.532,970 10.429,971 0.256,972 12.825,973 1.787,974 8.15,975 10.242,976 2.976,977 15.655,978 7.966,979 11.886,980 -0.123,981 14.667,982 0.447,983 9.08,984 11.498,986 17.91,987 8.859,988 13.363,989 -0.507,990 16.527,991 -0.279,992 10.348,993 13.151,994 3.641,995 20.458,996 10.113,997 3.381,998 -0.687,999 18.402,1000 -1.178,1001 11.429,1002 14.572,1004 22.849,1005 11.161,1006 3.092,1007 12.276,1008 20.287,1009 -1.69,1010 12.639,1011 16.153,1012 4.338,1013 25.352,1014 12.351,1015 2.685,1016 10.713,1017 22.183,1018 4.77,1019 13.784,1020 17.645,1022 27.8,1023 13.466,1024 2.432,1025 8.604,1026 24.085,1027 4.514,1028 14.979,1029 19.201,1030 5.051,1031 30.292,1032 14.637,1033 2.012,1034 7.87,1035 25.994,1036 3.562,1037 16.152,1038 20.724,1040 32.765,1041 15.781,1042 1.807,1043 6.282,1044 27.909,1045 3.275,1046 17.346,1047 22.272,1048 5.77,1049 35.256,1050 16.948,1051 1.652,1052 5.282,1053 29.828,1054 2.801,1055 18.533,1056 23.807,1058 37.741,1059 18.108,1060 6067,1061 12156,1062 18.323,1063 26.233,1064 44.242,1065 45.73,1066 46.275,1067 43.553,1068 43.291,1069 60.925,1070 4.662,1071 134.556,1072 41.222,1073 5.494,1074 5.586,1075 6.615,1076 5.393,1077 5.381,1078 7.77,1079 2.873,1080 20.016,1081 5.287,1082 13.957,1083 1.58,1084 1.633,1085 1.653,1086 1.555,1087 1.546,1088 2.176,1089 0.167,1090 4.806,1091 1.472,1092 4.205,1093 4.231,1094 6.881,1095 4.124,1096 7.529,1097 4.132,1098 4.026,1099 4.052,1100 4.164,1101 3.957,1102 7.475,1103 3.958,1104 3.562,1105 3.576,1106 3.955,1107 3.435,1108 6.473,1109 3.444,1110 3.383,1111 3.42,1112 3.513,1113 3.203,1114 6.351,1115 3.224,1116 3.153,1117 3.174,1118 3.279,1119 2.94,1120 4.964,1121 2.947,1122 2.979,1123 3.013,1124 3.108,1125 2.905,1126 4.815,1127 2.868,1128 2.867,1129 2.906,1130 2.868,1131 2.57,1132 4.234,1133 2.615,1134 2.747,1135 2.791,1136 2.647,1137 2.341,1138 4.099,1139 2.435,1140 0.171,1141 0.128,1142 0.253,1143 0.155,1144 0.121,1145 4.799,1146 0.17,1147 3.586,1148 0.051,1149 7.087,1150 0.438,1151 4.353,1152 0.117,1153 3.381,1154 4.77,1155 1.437,1156 12.276,1157 3.287,1158 1.942,1159 1.927,1160 2.013,1161 2.027,1162 1.174,1163 2.023,1164 1.933,1165 1.915,1166 1.982,1167 1.993,1168 1.151,1169 2.001,1170 1.626,1171 1.595,1172 1.675,1173 1.821,1174 0.808,1175 1.781,1176 1.252,1177 1.203,1178 1.386,1179 1.539,1180 0.401,1181 1.496,1182 1.194,1183 1.192,1184 1.257,1185 1.481,1186 0.3,1187 1.398,1188 0.971,1189 0.927,1190 1.154,1191 1.164,1192 0.26,1193 1.144,1194 0.781,1195 0.732,1196 1.022,1197 1.062,1198 0.073,1199 1.048,1200 0.719,1201 0.682,1202 0.886,1203 0.949,1205 0.929,1206 4.043,1208 5.416,1209 3.045,1210 6.987,1211 5.533,1212 8.65,1213 7.743,1214 10.363,1215 3.41,1221 19.512,1231 26.056,1232 64.064,1233 134.505,1234 160.015,1235 179.525,1236 179.525,1237 179.525,1238 50.628,1239 7.691,1240 118.54,1241 118.54,1242 22,1243 12.873,1244 4.524,1245 3.7,1246 35.677,1247 77,1248 78,1249 0.233,1250 163.274,1251 270.66,1252 390.15,1253 20938,1254 2.9,1255 17.715,1256 0.709,1257 0.563,1258 18.715,1259 14.086,1260 12.007,1261 0.429,1262 0.286,1263 7.174,1264 10.983,1265 7.025,1266 5.756,1267 12.585,1268 8.022,1269 11.239,1270 0.268,1271 0.152,1272 11.981,1273 6.371,1274 9.945,1275 0.163,1276 0.078,1277 10.662,1278 4.783,1279 8.773,1280 0.101,1281 0.04,1282 9.361,1283 3.473,1284 7.295,1285 0.064,1286 0.021,1287 7.852,1288 2.375,1289 0.35,1290 84.228,1291 0.234,1292 23.461,1293 0.693,1294 140,1295 476.736,1296 219.448,1297 498.773,1298 660.27,1299 458,1300 173,1301 461.324,1302 221.136,1303 477.797,1304 702.87,1305 449,1306 6.678} {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 -4.35,119 36.5,120 3,121 1,124 2,126 2,133 5,134 1,137 1,138 1,141 1,149 1,150 1,159 7,161 3,162 2,164 3,166 2,168 7,171 2,174 1,175 1,176 4,178 3,181 1,182 7,185 3,186 1,187 3,194 5,197 3,199 1,206 9,211 6,217 9,220 1,221 1,222 3,229 6,232 1,234 2,237 5,242 2,247 4,250 9,255 1070,256 17.74,257 17.74,258 17.74,259 17.74,260 17.74,261 15.891,262 24.833,263 10.529,264 18.162,265 13.704,266 13.704,267 13.704,268 13.704,269 13.704,270 10.846,271 38.665,272 4.846,273 14.447,274 4.201,275 2.156,276 1.133,277 0.75,278 0.697,279 0.697,280 3.986,283 1,284 1,285 513,286 3.742,288 59.154,289 151.285,291 107.706,295 1.462,296 20.389,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 56,307 246,308 4.656,309 3.293,310 6.805,311 4.159,312 3.226,313 4.614,314 0.657,315 11.227,316 3.01,317 3.93,318 2.838,319 5.977,320 3.583,321 2.649,322 3.451,323 0.4,324 8.354,325 2.519,326 3.863,327 2.769,328 5.526,329 3.513,330 2.542,331 3.308,333 7.443,334 2.438,335 3.663,336 2.587,337 5.342,338 3.398,339 2.436,340 2.987,342 6.952,343 2.327,344 3.239,345 2.136,346 4.978,347 2.952,348 2.021,349 2.306,351 5.785,352 1.874,353 3.071,354 1.937,355 4.958,356 2.77,357 1.826,358 2.2,360 5.252,361 1.72,362 2.908,363 1.584,364 3.925,365 2.48,366 1.49,367 2.069,369 3.199,370 1.474,371 2.568,372 1.191,373 3.675,374 2.039,375 1.129,376 1.595,378 2.828,379 1.027,380 2.5,381 1.075,382 3.61,383 2,384 1,385 1.5,386 2.389,387 1,388 2.196,389 1.003,390 3.247,391 1.865,392 0.926,393 1.132,394 2.136,395 0.867,396 1.759,397 1,398 3.088,399 1.556,400 0.618,401 0.618,402 1.222,403 0.572,404 1.618,405 0.651,406 2.914,407 1.432,408 0.505,409 0.612,411 0.791,412 0.467,413 1.33,414 0.4,415 2.627,416 1.103,417 0.202,418 0.22,420 0.358,421 0.181,422 1,423 -0.155,424 2.618,425 0.611,426 -0.325,427 -0.41,429 -0.788,430 -0.302,431 0.735,432 -0.299,433 2.244,434 0.409,435 -0.52,436 -0.598,438 -1.136,439 -0.481,440 12.233,441 0.471,442 0.554,443 0.021,444 32.5,445 1.25,446 15,447 0.577,448 17.5,449 0.673,450 22.94,451 0.882,452 29.167,453 0.561,454 23.064,455 0.887,456 6.142,457 0.236,458 6.476,459 0.249,460 0.15,462 0.319,466 1.034,467 1.604,468 0.904,469 1.231,470 1.021,471 1.076,472 0.853,473 1.101,474 0.894,475 1.024,476 0.841,477 0.977,478 0.899,479 1.143,480 0.911,481 0.992,482 0.748,483 0.953,484 1.067,485 1.092,486 0.957,487 0.986,488 1.088,489 0.96,490 1.466,491 0.9,492 1.103,493 0.74,494 1.294,495 0.837,496 1.376,497 1.269,498 1.148,499 1.026,500 0.944,501 1.028,502 1.361,503 1.058,504 1.239,505 0.969,506 0.953,507 1.046,508 1.059,509 1.038,510 1.16,511 1.136,512 0.941,513 1.154,514 5,515 0.074,516 2.444,517 1.66,518 1.286,519 0.854,520 0.678,521 0.478,522 0.38,523 0.136,524 7233,525 16884,526 2.037,527 50,528 3,529 11,531 1,532 3,534 8,536 1.698,537 1.902,538 3.228,539 0.974,540 1,541 1,545 77.991,546 1.5,547 3.544,548 4.568,549 4.95,550 5.003,551 5.003,552 2.676,553 4.085,554 4.667,555 3.393,556 1102.79,557 8.128,558 13859,560 1,562 1,563 296.423,564 1.42,565 4.628,566 0.179,567 0.005,568 0.064,569 0.043,570 0.035,571 0.025,572 0.019,573 0.013,574 0.012,575 0.006,576 0.401,577 0.17,578 1,579 1.317,580 126.185,581 -0.083,582 -0.298,583 0.043,584 -0.081,585 -0.128,586 -0.016,587 0.174,588 0.066,589 0.084,590 0.01,591 0.037,592 0.021,593 0.098,594 -0.076,595 0.075,596 -0.017,597 0.07,598 0.018,599 0.056,600 -0.071,601 0.047,602 -0.045,603 -0.034,604 -0.012,605 -0.137,606 0.139,607 -0.066,608 0.129,609 -0.089,610 0.058,611 -0.259,612 -0.097,613 -0.149,614 -0.071,615 -0.113,616 -0.084,617 -0.181,618 0.099,619 -0.233,620 -0.025,621 -0.065,622 -0.111,623 -0.101,624 -0.015,625 -0.191,626 -0.129,627 0.005,628 -0.161,629 1.464,630 3.474,631 0.577,632 24.935,633 0.996,634 1.141,635 3.488,636 12.167,637 0.637,638 3.367,639 3.664,640 3.932,641 4.19,642 4.394,643 4.522,644 4.673,645 4.82,646 4.828,647 4.787,648 5.937,649 0.598,650 354.51,651 3.367,652 4.89,653 5.733,654 6.605,655 7.473,656 8.357,657 9.237,658 10.129,659 11.017,660 11.915,661 11.5,666 2,669 1,671 3,674 2,675 6,676 3,680 3,681 1,682 16,692 2,699 52,700 16,701 1,702 28,704 54,705 19,706 11,707 1,708 5,710 3,711 4,715 4,719 3,721 11,722 8,732 1,733 1,736 26,737 6,738 3,739 7,742 1,743 6,747 0.667,748 1,749 1,755 1,759 1,760 2,762 1,775 1,777 2,781 3,785 26,788 1,789 3,790 2,793 2,801 1.9,802 1,808 13.667,809 9.917,810 5.944,811 3.294,812 2.998,813 1.418,814 0.936,815 6.069,816 10.168,817 3.611,818 4.201,819 4.813,820 5.43,821 5.949,822 6.273,823 6.662,824 7.062,825 7.196,826 7.407,827 1,828 39,829 9.596,831 3.941,832 7.635,833 18.531,835 14.826,837 2.135,838 55.5,841 1,842 270.735,843 98.388,844 88.277,846 42.683,849 98.388,850 313.419,851 88.277,852 26.476,853 4.64,854 90.065,855 108.483,856 7.229,857 4.227,858 258.964,860 270.735,861 186.665,862 42.683,865 176.567,866 94.169,867 42.683,869 47.392,870 52.895,871 86.378,873 270.735,874 130.961,875 98.388,878 270.735,879 15.912,880 84.375,881 36.022,882 93.04,883 270.735,884 130.961,885 98.388,887 0.568,888 0.337,889 0.179,890 0.095,891 17,892 8,893 0.148,894 8,895 1,896 1.133,897 3.729,898 214.862,899 0.133,900 15,901 116.211,904 18.617,905 8.475,906 4.34,907 1.526,908 129.061,909 11.954,910 13.75,914 2.351,915 2.024,916 78.705,917 500.084,918 36,926 51.774,927 59.351,928 0.263,929 0.622,930 0.801,931 0.868,932 0.878,933 0.878,934 4.828,935 1.129,936 5.707,937 3.199,938 4.344,939 4.887,940 0.781,941 6.509,942 4.235,943 6.021,944 1,945 7.259,946 2.828,947 3.892,948 4.677,950 7.416,951 3.73,952 7.321,953 0.926,954 8.913,955 2.389,956 5.922,957 7.114,958 0.354,959 10.518,960 5.695,961 8.662,962 0.618,963 10.627,964 2.136,965 6.312,966 7.805,968 12.286,969 6.017,970 10.039,971 0.505,972 12.383,973 1.222,974 7.793,975 9.7,976 0.157,977 14.919,978 7.44,979 11.444,980 0.202,981 14.167,982 0.791,983 8.577,984 10.827,986 17.057,987 8.147,988 12.872,989 -0.325,990 15.973,991 0.358,992 9.844,993 12.501,994 0.069,995 19.542,996 9.355,997 3.226,998 -0.52,999 17.797,1000 -0.788,1001 10.822,1002 13.844,1004 21.84,1005 10.252,1006 2.649,1007 11.227,1008 19.635,1009 -1.136,1010 12.008,1011 15.427,1012 0.03,1013 24.277,1014 11.375,1015 2.542,1016 8.354,1017 21.485,1018 4.614,1019 13.08,1020 16.871,1022 26.644,1023 12.367,1024 2.436,1025 7.443,1026 23.346,1027 3.451,1028 14.241,1029 18.418,1030 0.013,1031 29.066,1032 13.461,1033 2.021,1034 6.952,1035 25.215,1036 3.308,1037 15.359,1038 19.909,1040 31.461,1041 14.501,1042 1.826,1043 5.785,1044 27.091,1045 2.987,1046 16.516,1047 21.443,1048 0.006,1049 33.879,1050 15.587,1051 1.49,1052 5.252,1053 28.973,1054 2.306,1055 17.657,1056 22.954,1058 36.287,1059 16.652,1060 7195,1061 11124,1062 18.493,1063 33.103,1064 41.172,1065 41.64,1066 42.947,1067 41.092,1068 41.139,1069 53.225,1070 2.115,1071 115.87,1072 38.951,1073 5.503,1074 5.293,1075 6.607,1076 5.24,1077 5.226,1078 7.614,1079 1.315,1080 18.537,1081 5.01,1082 13.218,1083 1.47,1084 1.487,1085 1.534,1086 1.468,1087 1.469,1088 1.901,1089 0.076,1090 4.138,1091 1.391,1092 4.109,1093 4.166,1094 4.087,1095 3.925,1096 6.456,1097 3.957,1098 3.901,1099 3.936,1100 3.827,1101 3.83,1102 5.145,1103 3.828,1104 3.724,1105 3.791,1106 3.6,1107 3.55,1108 4.754,1109 3.548,1110 3.573,1111 3.646,1112 3.44,1113 3.405,1114 4.57,1115 3.401,1116 3.295,1117 3.383,1118 3.143,1119 3.093,1120 4.246,1121 3.095,1122 3.236,1123 3.329,1124 3.093,1125 2.998,1126 4.099,1127 3.006,1128 3.138,1129 3.211,1130 2.94,1131 2.871,1132 4.078,1133 2.882,1134 2.874,1135 3.009,1136 2.717,1137 2.735,1138 3.748,1139 2.715,1140 0.166,1141 0.118,1142 0.243,1143 0.149,1144 0.115,1145 4.656,1146 0.165,1147 3.293,1148 0.023,1149 6.805,1150 0.401,1151 4.159,1152 0.108,1153 3.226,1154 4.614,1155 0.657,1156 11.227,1157 3.01,1158 1.918,1159 1.885,1160 2.043,1161 2.062,1162 1.23,1163 2.043,1164 1.828,1165 1.779,1166 1.968,1167 1.983,1168 1.17,1169 1.989,1170 1.691,1171 1.625,1172 1.937,1173 1.9,1174 1.148,1175 1.913,1176 1.617,1177 1.555,1178 1.759,1179 1.814,1180 0.837,1181 1.812,1182 1.246,1183 1.166,1184 1.55,1185 1.508,1186 0.688,1187 1.526,1188 1.182,1189 1.1,1190 1.469,1191 1.461,1192 0.623,1193 1.472,1194 1.151,1195 1.067,1196 1.417,1197 1.413,1198 0.469,1199 1.412,1200 0.934,1201 0.821,1202 1.359,1203 1.239,1204 0.353,1205 1.308,1206 4.043,1208 5.342,1209 2.398,1210 6.838,1211 4.727,1212 8.427,1213 6.862,1214 10.069,1216 6.2,1221 9.474,1222 1.473,1223 6.588,1226 0.161,1231 31.111,1232 77.991,1233 184.307,1234 237.529,1235 257.403,1236 260.158,1237 260.158,1238 42.011,1239 7.169,1240 87.89,1241 87.89,1242 17,1243 12.441,1244 4.087,1245 3.17,1246 43.987,1247 90,1248 96,1249 0.238,1250 195.115,1251 323.79,1252 467.841,1253 11364,1255 18.518,1256 0.712,1257 0.595,1258 18.518,1259 15.476,1260 12.618,1261 0.451,1262 0.322,1263 8.887,1264 12.128,1265 8.601,1266 7.244,1267 12.618,1268 9.017,1269 10.91,1270 0.287,1271 0.173,1272 10.91,1273 6.585,1274 9.128,1275 0.183,1276 0.087,1277 9.128,1278 4.327,1279 7.521,1280 0.116,1281 0.042,1282 7.521,1283 2.723,1284 5.813,1285 0.073,1286 0.021,1287 5.813,1288 1.679,1289 0.365,1290 79.084,1291 0.233,1292 24.877,1293 0.678,1294 132,1295 351.396,1296 146.123,1297 343.576,1298 480.25,1299 324,1300 154,1301 363.797,1302 169.15,1303 368.515,1304 541.86,1305 347,1306 4.959} {0 CHEMBL1782168,1 1.526,2 6.316,3 1.772,4 3.141,5 71.747,6 8.31,7 0.727,8 3.554,9 3.662,10 3.23,11 3.182,12 4.715,13 3.179,14 4.047,15 4.176,16 3.618,17 3.6,18 5.192,19 3.578,20 4.326,21 4.489,22 3.727,23 3.761,24 5.429,25 3.725,26 4.371,27 4.564,28 3.654,29 3.71,30 5.46,31 3.654,32 4.289,33 4.502,34 3.462,35 3.55,36 5.447,37 3.484,38 4.087,39 4.31,40 3.09,41 3.257,42 5.282,43 3.158,44 3.653,45 3.92,46 2.458,47 2.744,48 4.693,49 2.611,50 3.067,51 3.369,52 1.475,53 2.055,54 3.922,55 1.846,56 0.03,57 0.45,58 4.761,59 2.349,60 4.611,61 2.739,62 0.091,63 0.73,64 8.502,65 4.091,66 11.859,67 4.984,68 0.15,69 0.947,70 13.048,71 5.542,72 23.874,73 6.574,74 0.17,75 1,76 14.57,77 5.991,78 17.904,79 7.529,80 0.215,81 0.874,82 14.877,83 5.708,84 28.732,85 7.203,86 0.232,87 0.685,88 12.913,89 5.002,90 37.497,91 6.281,92 0.121,93 0.443,94 9.163,95 3.302,96 20.88,97 4.373,98 0.079,99 0.244,100 5.398,101 1.824,102 11.988,103 2.507,104 2,105 32,106 0.283,107 0.68,108 0.801,109 0.885,110 0.898,111 0.898,112 3.014,113 0.841,114 -2.75,115 -2.76,116 -2.68,119 50,121 1,133 5,134 3,135 1,136 2,143 2,147 1,159 6,162 3,164 1,166 7,168 7,172 2,176 5,178 6,182 4,185 1,186 1,187 4,190 7,194 3,197 1,199 1,202 6,205 1,206 3,209 1,211 1,213 3,217 2,224 1,229 1,255 323,256 13.223,257 13.223,258 13.223,259 13.223,260 13.223,261 11.223,262 10.416,263 7.795,264 13.363,265 10.914,266 10.914,267 10.914,268 10.914,269 10.914,270 7.868,271 14.728,272 3.732,273 11.131,274 3.38,275 1.242,276 0.587,277 0.133,278 0.067,279 0.067,280 3.718,283 1,284 1,285 271,286 1.871,288 18.282,289 55.162,290 28.225,291 38.677,292 39.464,293 47.632,295 0.964,296 15.031,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 40.5,307 120,308 4.699,309 3.675,310 6.922,311 4.281,312 3.298,313 4.622,314 1.987,315 11.699,316 3.241,317 4.204,318 3.229,319 6.292,320 3.778,321 2.796,322 3.861,323 0.324,324 9.447,325 2.746,326 3.622,327 2.829,328 5.452,329 3.301,330 2.288,331 2.932,333 6.683,334 2.304,335 3.495,336 2.214,337 5.241,338 3.07,339 2.094,340 2.796,342 6.535,343 2.042,344 3.125,345 1.812,346 4.681,347 2.62,348 1.645,349 2.404,351 4.739,352 1.601,353 2.905,354 1.522,355 4.051,356 2.396,357 1.422,358 2.097,360 3.284,361 1.39,362 2.847,363 1.424,364 3.675,365 2.354,366 1.391,367 1.983,369 3.045,370 1.327,371 2.56,372 1.209,373 3.593,374 2.064,375 1.074,376 1.583,378 2.701,379 1.061,380 2.135,381 0.915,382 3.452,383 1.659,384 0.692,385 0.971,386 1.797,387 0.666,388 1.323,389 0.522,390 2.879,391 0.956,392 -0.018,393 -0.023,394 -0.048,395 -0.018,396 1.119,397 0.178,398 2.69,399 0.797,400 -0.186,401 -0.239,402 -0.496,403 -0.182,404 0.76,405 -0.25,406 2.228,407 0.28,408 -0.737,409 -1.065,411 -1.811,412 -0.73,413 0.612,414 -0.799,415 2,416 0.092,417 -0.878,418 -1.285,420 -2.146,421 -0.854,422 0.522,423 -0.846,424 2,425 0.025,426 -1,427 -1.371,429 -2.418,430 -0.974,431 0.413,432 -0.91,433 2,434 -0.026,435 -1,436 -1.527,438 -2.716,439 -1.031,440 9.033,441 0.475,442 0.432,443 0.023,444 28.75,445 1.513,446 16,447 0.842,448 12.75,449 0.671,450 11.243,451 0.592,452 18.567,453 0.619,454 18.019,455 0.948,456 5.716,457 0.301,458 3.61,459 0.19,460 0.037,462 0.387,466 0.771,467 1.062,468 0.68,469 0.815,470 0.543,471 0.738,472 0.633,473 1.129,474 0.782,475 0.974,476 0.57,477 0.911,478 1.143,479 1.095,480 0.993,481 0.972,482 1.091,483 0.962,484 0.897,485 1.049,486 1.022,487 1.102,488 0.787,489 1.079,490 1.115,491 0.923,492 1.036,493 0.995,494 1.135,495 0.998,496 1.245,497 0.941,498 1.168,499 1.098,500 1.595,501 1.139,502 1.169,503 0.934,504 1.127,505 1.001,506 1.262,507 1.053,508 1.089,509 0.864,510 1.329,511 1.027,512 1.051,513 1.174,514 3,516 2,517 1.764,518 1.184,519 0.626,520 0.173,521 0.071,522 0.01,524 3049,525 8208,526 2.239,527 36.7,529 5,531 2,532 2,533 2,536 1.612,537 2.151,538 2.697,539 0.341,541 1,542 1,543 1,545 45.795,546 1.526,547 3.665,548 4.32,549 4.774,550 4.84,551 4.84,552 2.149,553 4.037,554 4.225,555 2.755,556 471.144,557 7.238,558 4400.71,559 1,560 1,562 1,563 147.207,564 1.211,565 4.203,566 0.136,568 0.063,569 0.05,570 0.038,571 0.025,572 0.011,573 0.009,574 0.005,576 0.337,577 0.83,578 1,579 0.447,580 78.717,581 -0.095,582 -0.011,583 0.033,584 0.062,585 -0.049,586 0.07,587 0.08,588 -0.111,589 -0.012,590 -0.072,591 0.01,592 -0.06,593 -0.182,594 -0.098,595 -0.119,596 -0.045,597 -0.153,598 -0.069,599 0.011,600 -0.053,601 -0.086,602 -0.162,603 0.007,604 -0.142,605 -0.013,606 0.032,607 -0.016,608 -0.016,609 0.041,610 -0.01,611 0.037,612 -0.047,613 -0.086,614 -0.082,615 -0.024,616 -0.109,617 -0.103,618 -0.041,619 0.031,620 0.044,621 -0.087,622 0.054,623 -0.151,624 0.041,625 -0.105,626 0.033,627 -0.161,628 -0.015,629 1.657,630 5.005,631 0.947,632 9.895,633 1.006,634 1.112,635 1.519,636 2.307,637 0.717,638 3.135,639 3.497,640 3.85,641 4.22,642 4.511,643 4.673,644 4.836,645 4.963,646 5.017,647 5.004,648 3.96,649 0.696,650 249.29,651 3.135,652 4.691,653 5.58,654 6.494,655 7.404,656 8.327,657 9.245,658 10.17,659 11.092,660 12.019,661 10,668 1,669 1,671 1,674 2,675 7,676 1,677 1,680 4,682 16,699 30,700 17,701 1,702 22,704 33,705 15,706 13,707 2,708 4,710 4,711 10,716 1,719 1,721 14,722 1,724 1,728 1,731 1,733 1,736 11,737 3,738 2,739 4,743 3,747 0.25,748 1,754 1,756 1,759 1,760 2,761 1,762 1,763 1,764 1,766 1,777 1,785 19,789 1,790 1,801 3.3,804 1,808 8.833,809 5.45,810 4.056,811 1.765,812 3.462,813 1.473,814 1.1,815 2.154,816 10.787,817 3.466,818 4.139,819 4.811,820 5.511,821 6.107,822 6.515,823 7.01,824 7.456,825 7.739,826 8.058,827 1,828 35,829 7.006,831 3.108,832 7.719,833 13.409,835 11.525,837 2.219,838 42.167,839 0.001,842 105.94,843 89.317,844 51.582,846 25.145,849 89.317,850 131.085,851 51.582,853 20.545,854 47.381,855 70.177,856 46.581,857 4.901,858 82.398,860 105.94,861 140.899,862 25.145,865 105.94,866 25.145,869 55.426,870 68.688,871 16.786,873 105.94,874 76.727,875 89.317,878 105.94,879 23.841,880 65.476,881 34.796,882 41.93,883 105.94,884 76.727,885 89.317,887 0.585,888 0.353,889 0.215,890 0.126,891 19,892 7,895 3,896 1.333,897 3.103,898 158.112,899 0.333,900 18,901 78.711,904 10.62,905 3.853,906 1.547,907 2.036,908 59.941,909 13.341,910 4.153,911 3.401,914 3.91,916 34.796,917 271.984,918 31,922 12.005,925 0.01,926 30.167,927 33.365,928 0.311,929 0.747,930 0.88,931 0.973,932 0.986,933 0.986,934 4.7,935 1.074,936 5.572,937 3.045,938 4.174,939 4.824,940 2.076,941 6.444,942 4.137,943 5.932,944 0.692,945 7.157,946 2.701,947 3.761,948 4.677,949 1.593,950 7.434,951 3.73,952 7.261,953 -0.018,954 8.847,955 1.797,956 5.808,957 7.121,958 3.1,959 10.614,960 5.738,961 8.63,962 -0.186,963 10.6,964 -0.048,965 6.256,966 7.853,967 3.168,968 12.478,969 6.185,970 10.035,971 -0.737,972 12.395,973 -0.496,974 7.763,975 9.75,976 4.312,977 15.164,978 7.661,979 11.466,980 -0.878,981 14.219,982 -1.811,983 8.616,984 10.905,985 4.654,986 17.377,987 8.505,988 12.918,989 -1,990 16.064,991 -2.146,992 9.91,993 12.577,994 5.601,995 19.903,996 9.775,997 3.298,998 -1,999 17.924,1000 -2.418,1001 10.948,1002 13.932,1003 6.091,1004 22.255,1005 10.798,1006 2.796,1007 11.699,1008 19.797,1009 -2.716,1010 12.163,1011 15.51,1012 6.927,1013 24.729,1014 11.992,1015 2.288,1016 9.447,1017 21.679,1018 4.622,1019 13.282,1020 16.957,1021 7.5,1022 27.139,1023 13.095,1024 2.094,1025 6.683,1026 23.569,1027 3.861,1028 14.472,1029 18.499,1030 8.273,1031 29.596,1032 14.265,1033 1.645,1034 6.535,1035 25.465,1036 2.932,1037 15.627,1038 19.988,1039 8.894,1040 32.031,1041 15.403,1042 1.422,1043 4.739,1044 27.367,1045 2.796,1046 16.81,1047 21.517,1048 9.631,1049 34.485,1050 16.568,1051 1.391,1052 3.284,1053 29.272,1054 2.404,1055 17.981,1056 23.025,1057 10.279,1058 36.931,1059 17.722,1060 2860,1061 4772,1062 15.315,1063 21.517,1064 33.816,1065 34.557,1066 34.354,1067 33.374,1068 33.401,1069 46.5,1070 4.622,1071 99.86,1072 32.756,1073 5.57,1074 5.675,1075 6.604,1076 5.328,1077 5.298,1078 7.622,1079 3.497,1080 19.245,1081 5.241,1082 4.949,1083 1.537,1084 1.571,1085 1.562,1086 1.517,1087 1.518,1088 2.114,1089 0.21,1090 4.539,1091 1.489,1092 4.163,1093 4.196,1094 4.131,1095 4.072,1096 7.429,1097 4.083,1098 3.849,1099 3.883,1100 3.793,1101 3.773,1102 5.035,1103 3.773,1104 3.505,1105 3.542,1106 3.428,1107 3.337,1108 4.736,1109 3.35,1110 3.272,1111 3.339,1112 3.207,1113 3.049,1114 4.382,1115 3.081,1116 2.959,1117 3.033,1118 2.843,1119 2.803,1120 3.952,1121 2.805,1122 2.817,1123 2.878,1124 2.686,1125 2.691,1126 3.779,1127 2.679,1128 2.771,1129 2.839,1130 2.651,1131 2.62,1132 3.579,1133 2.625,1134 2.466,1135 2.537,1136 2.287,1137 2.217,1138 3.392,1139 2.23,1140 0.214,1141 0.167,1142 0.315,1143 0.195,1144 0.15,1145 4.699,1146 0.21,1147 3.675,1148 0.09,1149 6.922,1150 0.532,1151 4.281,1152 0.147,1153 3.298,1154 4.622,1155 1.987,1156 11.699,1157 3.241,1158 1.913,1159 1.889,1160 2.009,1161 2.023,1162 1.161,1163 2.016,1164 1.885,1165 1.855,1166 1.965,1167 1.978,1168 1.093,1169 1.981,1170 1.592,1171 1.551,1172 1.731,1173 1.787,1174 0.872,1175 1.769,1176 1.223,1177 1.175,1178 1.377,1179 1.466,1180 0.439,1181 1.444,1182 0.926,1183 0.859,1184 1.172,1185 1.167,1186 0.225,1187 1.17,1188 0.821,1189 0.762,1190 1.088,1191 1.012,1192 0.172,1193 1.043,1194 0.777,1195 0.705,1196 1.033,1197 0.973,1198 0.039,1199 1.008,1200 0.408,1201 0.357,1202 0.715,1203 0.66,1205 0.683,1206 3.807,1208 5.153,1209 2.398,1210 6.701,1211 4.949,1212 8.34,1213 7.222,1214 10.029,1222 0.371,1223 2.941,1231 20.886,1232 45.795,1233 109.946,1234 129.597,1235 143.207,1236 145.207,1237 145.207,1238 21.968,1239 7.324,1240 57.78,1241 57.78,1242 24,1243 12.524,1244 4.17,1245 3.322,1246 24.118,1247 47,1248 37,1249 0.276,1250 126.042,1251 206.59,1252 299.302,1253 13870,1255 12.82,1256 0.675,1257 0.532,1258 12.82,1259 10.104,1260 9.326,1261 0.424,1262 0.28,1263 6.101,1264 9.059,1265 5.989,1266 4.926,1267 9.326,1268 6.166,1269 8.557,1270 0.267,1271 0.146,1272 8.557,1273 4.67,1274 7.54,1275 0.164,1276 0.076,1277 7.54,1278 3.515,1279 6.947,1280 0.104,1281 0.04,1282 6.947,1283 2.667,1284 6.059,1285 0.067,1286 0.021,1287 6.059,1288 1.91,1289 0.4,1290 57.853,1291 0.256,1292 18.131,1293 0.87,1294 108,1295 292.046,1296 115.71,1297 289.311,1298 406,1299 272,1300 132,1301 308.256,1302 139.656,1303 314.539,1304 464.04,1305 298,1306 5} {0 CHEMBL1782169,1 1.416,2 9.962,3 3.458,4 11.958,5 102.057,6 7.737,7 0.733,8 3.906,9 4.02,10 3.528,11 3.538,12 5.002,13 3.516,14 4.416,15 4.559,16 3.905,17 3.959,18 5.48,19 3.916,20 4.712,21 4.89,22 4.003,23 4.13,24 5.725,25 4.061,26 4.789,27 5.01,28 3.947,29 4.097,30 5.757,31 4.009,32 4.714,33 4.934,34 3.867,35 4.021,36 5.756,37 3.937,38 4.636,39 4.856,40 3.67,41 3.916,42 5.653,43 3.803,44 4.475,45 4.721,46 3.477,47 3.728,48 5.4,49 3.61,50 4.282,51 4.51,52 3.25,53 3.549,54 5.226,55 3.429,56 0.031,57 0.621,58 8.104,59 3.695,60 5.804,61 4.721,62 0.117,63 1.033,64 14.561,65 6.352,66 13.151,67 8.298,68 0.149,69 1.362,70 21.523,71 8.93,72 25.396,73 11.629,74 0.217,75 1.492,76 25.173,77 9.889,78 23.229,79 13.365,80 0.239,81 1.346,82 23.698,83 9.194,84 32.849,85 12.282,86 0.262,87 1.215,88 22.166,89 8.908,90 37.046,91 11.8,92 0.142,93 1.028,94 19.607,95 7.877,96 26.454,97 10.766,98 0.157,99 0.864,100 15.605,101 6.02,102 23.85,103 7.962,104 2,105 43,106 0.24,107 0.577,108 0.721,109 0.841,110 0.878,111 0.878,112 3.305,113 0.884,114 -4.16,115 -4.1,116 -3.88,119 50,121 1,124 1,133 10,134 4,135 1,136 2,143 2,147 1,159 12,162 1,164 1,166 7,168 13,170 3,172 1,176 5,178 9,180 3,182 3,186 1,187 4,189 1,190 9,192 3,194 2,197 1,199 1,202 11,204 2,206 2,208 1,211 2,212 1,213 10,215 1,222 2,224 8,226 2,229 1,234 3,237 6,239 1,242 2,247 3,250 7,255 916,256 18.102,257 18.102,258 18.102,259 18.102,260 18.102,261 15.377,262 18.797,263 10.749,264 18.275,265 14.897,266 14.897,267 14.897,268 14.897,269 14.897,270 10.781,271 28.286,272 5.199,273 15.187,274 4.044,275 2.051,276 1.201,277 0.491,278 0.273,279 0.273,280 4.025,283 1,284 1,285 588,286 2.345,288 29.213,289 155.911,290 48.718,291 59.13,292 66.218,293 83.267,295 1.583,296 15.658,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 54.5,307 259,308 4.71,309 3.675,310 6.927,311 4.289,312 3.307,313 4.641,314 1.987,315 11.723,316 3.247,317 4.233,318 3.246,319 6.308,320 3.816,321 2.841,322 3.885,323 0.522,324 9.522,325 2.773,326 3.955,327 2.919,328 5.601,329 3.577,330 2.599,331 3.49,332 0.324,333 7.679,334 2.547,335 3.65,336 2.786,337 5.421,338 3.301,339 2.288,340 3.115,342 6.731,343 2.305,344 3.612,345 2.327,346 5.241,347 3.184,348 2.222,349 2.845,351 6.537,352 2.132,353 3.339,354 2.031,355 4.992,356 2.892,357 1.931,358 2.652,360 5.87,361 1.849,362 3.085,363 1.792,364 4.67,365 2.604,366 1.62,367 2.335,369 4.68,370 1.59,371 2.867,372 1.514,373 4.037,374 2.409,375 1.415,376 2.026,378 3.183,379 1.406,380 2.852,381 1.485,382 3.682,383 2.392,384 1.397,385 1.992,386 3.039,387 1.387,388 2.576,389 1.219,390 3.593,391 2.084,392 1.091,393 1.608,394 2.868,395 1.081,396 2.5,397 1,398 3.506,399 2,400 1,401 1.5,402 2.136,403 1,404 2.201,405 0.954,406 3.247,407 1.73,408 0.761,409 1.068,411 1.988,412 0.735,413 1.451,414 0.594,415 2.975,416 1.114,417 0.135,418 0.168,420 0.363,421 0.132,422 1.275,423 0.303,424 2.864,425 0.951,426 -0.019,427 -0.023,429 -0.051,430 -0.019,431 1.051,432 0.128,433 2.681,434 0.727,435 -0.259,436 -0.328,438 -0.691,439 -0.253,440 12.533,441 0.482,442 0.568,443 0.022,444 38,445 1.462,446 21,447 0.808,448 17,449 0.654,450 17.938,451 0.69,452 25.567,453 0.581,454 26.747,455 1.029,456 7.619,457 0.293,458 5.157,459 0.198,460 0.027,462 0.351,466 0.801,467 1.099,468 0.74,469 0.868,470 0.567,471 0.802,472 0.752,473 1.12,474 0.872,475 0.972,476 0.57,477 0.935,478 1.118,479 1.179,480 1.033,481 1.063,482 1.072,483 1.043,484 0.924,485 1.036,486 0.98,487 1.021,488 0.758,489 1.002,490 1.115,491 0.942,492 0.979,493 0.942,494 1.029,495 0.94,496 1.145,497 0.954,498 1.114,499 1.048,500 1.403,501 1.081,502 0.922,503 0.96,504 0.925,505 0.959,506 0.992,507 0.949,508 1.345,509 0.99,510 1.227,511 1.042,512 1.344,513 1.107,514 4.5,515 0.053,516 2.222,517 2.014,518 1.567,519 0.744,520 0.482,521 0.296,522 0.166,523 0.131,524 8219,525 19033,526 2.241,527 40.9,529 12,531 2,532 2,533 2,536 1.692,537 2.167,538 3.266,539 0.175,541 1,545 62.294,546 1.416,547 3.409,548 4.259,549 4.968,550 5.187,551 5.187,552 2.738,553 4.393,554 4.67,555 3.408,556 1107.56,557 8.103,558 13191.2,560 1,562 1,563 240.215,564 1.142,565 4.66,566 0.15,567 0.004,568 0.052,569 0.044,570 0.037,571 0.019,572 0.016,573 0.011,574 0.008,575 0.007,576 0.348,577 0.67,578 0.88,579 0.362,580 125.041,581 -0.05,582 -0.038,583 0.052,584 0.035,585 -0.047,586 0.052,587 0.063,588 -0.073,589 -0.03,590 -0.056,591 0.018,592 -0.053,593 -0.117,594 -0.168,595 -0.117,596 -0.121,597 -0.126,598 -0.122,599 0.046,600 -0.018,601 -0.001,602 -0.066,603 0.035,604 -0.042,605 0.009,606 0.057,607 0.014,608 0.024,609 0.084,610 0.025,611 0.013,612 0.002,613 -0.113,614 -0.062,615 -0.075,616 -0.098,617 -0.002,618 -0.025,619 0.1,620 0.052,621 -0.008,622 0.08,623 -0.224,624 -0.005,625 -0.224,626 -0.069,627 -0.197,628 -0.132,629 1.643,630 5.394,631 0.923,632 22.095,633 0.995,634 1.11,635 2.929,636 8.576,637 0.709,638 3.434,639 3.784,640 4.111,641 4.466,642 4.771,643 4.934,644 5.153,645 5.352,646 5.501,647 5.617,648 5.777,649 0.676,650 340.43,651 3.434,652 4.99,653 5.866,654 6.77,655 7.667,656 8.58,657 9.488,658 10.406,659 11.321,660 12.243,661 6.8,668 1,669 1,671 1,674 2,675 12,677 1,680 5,681 1,682 22,699 44,700 23,701 2,702 30,704 48,705 22,706 19,707 3,708 9,710 5,711 11,716 1,719 1,721 20,722 2,724 1,728 1,731 1,732 1,733 1,736 18,737 2,738 2,739 4,743 3,744 1,747 0.4,748 1,754 1,756 1,759 1,760 3,761 1,762 1,763 1,764 1,766 1,777 2,785 26,789 2,790 1,801 2.3,804 1,808 12,809 7.917,810 5.556,811 2.66,812 4.286,813 1.52,814 1.089,815 3.61,816 12.528,817 3.761,818 4.422,819 5.063,820 5.745,821 6.358,822 6.75,823 7.288,824 7.802,825 8.197,826 8.621,827 0.857,828 46,829 9.61,831 4.213,832 7.59,833 18.665,835 16.013,837 2.09,838 54.333,841 1,842 188.338,843 141.99,844 36.695,846 25.145,849 141.99,850 213.483,851 36.695,853 22.651,854 94.762,855 55.291,856 49.767,857 4.901,858 164.795,860 188.338,861 178.685,862 25.145,865 188.338,866 25.145,869 57.531,870 119.254,871 1.899,873 188.338,874 61.84,875 141.99,878 188.338,879 29.132,880 114.756,881 34.796,882 25.145,883 188.338,884 61.84,885 141.99,887 0.582,888 0.342,889 0.201,890 0.118,891 24,892 9,893 0.042,894 2,895 3,896 1.25,897 3.826,898 239.472,899 0.25,900 24,901 118.211,904 15.354,905 6.114,906 2.742,907 2.161,908 43.156,909 24.633,911 3.518,914 5.247,915 2.167,916 34.796,917 392.167,918 42,922 12.394,925 0.024,926 43.76,927 48.818,928 0.259,929 0.624,930 0.78,931 0.91,932 0.95,933 0.95,934 4.994,935 1.415,936 5.849,937 4.68,938 4.466,939 5.109,940 2.142,941 6.691,942 4.427,943 6.217,944 1.397,945 7.414,946 3.183,947 4.007,948 4.902,949 1.593,950 7.609,951 3.952,952 7.535,953 1.091,954 9.08,955 3.039,956 6.075,957 7.372,958 3.106,959 10.776,960 5.995,961 8.89,962 1,963 10.809,964 2.868,965 6.463,966 8.025,967 3.168,968 12.58,969 6.366,970 10.278,971 0.761,972 12.579,973 2.136,974 7.983,975 9.946,976 4.312,977 15.258,978 7.864,979 11.692,980 0.135,981 14.38,982 1.988,983 8.783,984 11.035,985 4.654,986 17.44,987 8.647,988 13.127,989 -0.019,990 16.203,991 0.363,992 10.081,993 12.721,994 5.601,995 19.96,996 9.925,997 3.307,998 -0.259,999 18.044,1000 -0.051,1001 11.083,1002 14.034,1003 6.091,1004 22.3,1005 10.91,1006 2.841,1007 11.723,1008 19.9,1009 -0.691,1010 12.295,1011 15.619,1012 6.927,1013 24.77,1014 12.103,1015 2.599,1016 9.522,1017 21.768,1018 4.641,1019 13.393,1020 17.043,1021 7.5,1022 27.176,1023 13.183,1024 2.288,1025 7.679,1026 23.646,1027 3.885,1028 14.578,1029 18.589,1030 8.273,1031 29.633,1032 14.349,1033 2.222,1034 6.731,1035 25.531,1036 3.49,1037 15.721,1038 20.067,1039 8.894,1040 32.066,1041 15.474,1042 1.931,1043 6.537,1044 27.424,1045 3.115,1046 16.899,1047 21.598,1048 9.631,1049 34.521,1050 16.635,1051 1.62,1052 5.87,1053 29.323,1054 2.845,1055 18.065,1056 23.103,1057 10.279,1058 36.967,1059 17.782,1060 7500,1061 11524,1062 20.978,1063 31.182,1064 45.664,1065 46.429,1066 45.867,1067 45.219,1068 45.213,1069 62.649,1070 5.665,1071 132.637,1072 44.365,1073 5.583,1074 5.675,1075 6.729,1076 5.338,1077 5.307,1078 7.641,1079 3.497,1080 19.273,1081 5.247,1082 6.318,1083 1.522,1084 1.548,1085 1.529,1086 1.507,1087 1.507,1088 2.088,1089 0.189,1090 4.421,1091 1.479,1092 4.19,1093 4.226,1094 4.156,1095 4.093,1096 7.429,1097 4.104,1098 3.922,1099 3.957,1100 3.858,1101 3.853,1102 4.989,1103 3.848,1104 3.844,1105 3.878,1106 3.781,1107 3.773,1108 4.753,1109 3.772,1110 3.534,1111 3.58,1112 3.453,1113 3.377,1114 4.696,1115 3.388,1116 3.393,1117 3.453,1118 3.324,1119 3.154,1120 4.285,1121 3.185,1122 3.042,1123 3.1,1124 2.919,1125 2.924,1126 3.951,1127 2.918,1128 2.93,1129 3.003,1130 2.809,1131 2.79,1132 3.792,1133 2.788,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.674,1139 2.715,1140 0.157,1141 0.123,1142 0.231,1143 0.143,1144 0.11,1145 4.71,1146 0.155,1147 3.675,1148 0.066,1149 6.927,1150 0.391,1151 4.289,1152 0.108,1153 3.307,1154 4.641,1155 1.987,1156 11.723,1157 3.247,1158 1.98,1159 1.945,1160 2.084,1161 2.112,1162 1.253,1163 2.104,1164 1.913,1165 1.888,1166 2.009,1167 2.001,1168 1.139,1169 2.005,1170 1.854,1171 1.826,1172 1.963,1173 1.937,1174 1.082,1175 1.951,1176 1.596,1177 1.557,1178 1.736,1179 1.788,1180 0.907,1181 1.771,1182 1.281,1183 1.218,1184 1.48,1185 1.528,1186 0.644,1187 1.514,1188 1.16,1189 1.113,1190 1.34,1191 1.347,1192 0.433,1193 1.353,1194 0.902,1195 0.839,1196 1.181,1197 1.106,1198 0.226,1199 1.132,1200 0.886,1201 0.821,1202 1.167,1203 1.062,1204 0.218,1205 1.107,1206 4.111,1208 5.451,1209 2.398,1210 6.986,1211 4.949,1212 8.609,1213 7.222,1214 10.282,1222 1.179,1223 3.009,1231 29.73,1232 62.294,1233 149.976,1234 187.386,1235 218.605,1236 228.215,1237 228.215,1238 31.697,1239 8.242,1240 48.77,1241 48.77,1242 30,1243 12.752,1244 4.585,1245 3.7,1246 33.851,1247 90,1248 98,1249 0.188,1250 178.476,1251 297.83,1252 427.243,1253 45411,1255 17.51,1256 0.673,1257 0.548,1258 17.51,1259 14.251,1260 12.776,1261 0.426,1262 0.295,1263 8.766,1264 12.483,1265 8.593,1266 7.097,1267 12.776,1268 8.844,1269 11.691,1270 0.272,1271 0.158,1272 11.691,1273 6.791,1274 10.12,1275 0.169,1276 0.084,1277 10.12,1278 5.029,1279 9.138,1280 0.106,1281 0.044,1282 9.138,1283 3.815,1284 8.024,1285 0.069,1286 0.024,1287 8.024,1288 2.809,1289 0.288,1290 78.662,1291 0.218,1292 24.719,1293 0.535,1294 146,1295 346.734,1296 154.403,1297 348.028,1298 493.3,1299 328,1300 176,1301 378.397,1302 184.988,1303 388.003,1304 571,1305 368,1306 5} {0 CHEMBL1782170,1 1.618,2 6.8,3 0.928,4 0.861,5 73.505,6 8.558,7 0.696,8 3.597,9 3.701,10 3.29,11 3.194,12 4.8,13 3.202,14 4.092,15 4.213,16 3.687,17 3.625,18 5.309,19 3.618,20 4.392,21 4.547,22 3.794,23 3.789,24 5.573,25 3.767,26 4.419,27 4.604,28 3.724,29 3.736,30 5.56,31 3.695,32 4.345,33 4.545,34 3.586,35 3.583,36 5.581,37 3.543,38 4.189,39 4.398,40 3.218,41 3.311,42 5.429,43 3.239,44 3.796,45 4.022,46 2.872,47 2.83,48 5.275,49 2.778,50 3.282,51 3.538,52 1.982,53 2.204,54 4.483,55 2.097,56 0.099,57 0.476,58 4.678,59 2.429,60 5.297,61 2.732,62 0.136,63 0.764,64 8.304,65 4.318,66 12.099,67 4.984,68 0.272,69 0.993,70 13.616,71 5.9,72 39.506,73 6.588,74 0.266,75 1.03,76 14.813,77 6.242,78 28.087,79 7.538,80 0.335,81 0.907,82 15.236,83 5.852,84 34.188,85 7.209,86 0.363,87 0.726,88 14.278,89 5.36,90 50.369,91 6.312,92 0.316,93 0.483,94 10.215,95 3.479,96 51.204,97 4.386,98 0.157,99 0.277,100 6.589,101 2.096,102 21.23,103 2.534,104 5,105 34,106 0.296,107 0.687,108 0.803,109 0.884,110 0.896,111 0.896,112 3.061,113 0.828,114 -0.86,115 -0.96,116 -1.07,119 48.4,121 1,133 5,134 3,135 1,136 2,143 2,147 1,155 1,159 6,162 3,164 1,166 7,168 7,172 4,176 5,178 6,182 5,185 1,186 1,187 4,190 7,194 4,197 2,199 1,202 6,205 1,206 4,209 1,211 1,213 3,216 1,217 3,220 1,224 1,229 3,242 1,255 374,256 13.671,257 13.671,258 13.671,259 13.671,260 13.671,261 11.54,262 11.83,263 7.934,264 13.831,265 11.397,266 11.397,267 11.397,268 11.397,269 11.397,270 8.114,271 15.228,272 3.815,273 11.643,274 3.336,275 1.202,276 0.568,277 0.129,278 0.065,279 0.065,280 3.762,284 1,285 305,286 2,288 19.565,289 60.039,290 30.913,291 41.359,292 42.873,293 52.459,295 1.04,296 21.428,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 43.5,307 136,308 4.714,309 3.676,310 6.927,311 4.287,312 3.305,313 4.672,314 1.987,315 11.72,316 3.246,317 4.245,318 3.295,319 6.304,320 3.802,321 2.822,322 3.936,323 0.324,324 9.5,325 2.765,326 3.85,327 3.07,328 5.482,329 3.304,330 2.298,331 3.513,333 6.856,334 2.308,335 3.619,336 2.783,337 5.241,338 3.238,339 2.28,340 2.864,342 6.537,343 2.176,344 3.383,345 2.143,346 4.95,347 2.888,348 1.922,349 2.708,351 5.72,352 1.849,353 3.088,354 1.799,355 4.659,356 2.601,357 1.616,358 2.343,360 4.647,361 1.588,362 2.854,363 1.51,364 4.033,365 2.393,366 1.397,367 1.995,369 3.173,370 1.388,371 2.581,372 1.224,373 3.682,374 2.084,375 1.092,376 1.613,378 2.872,379 1.082,380 2.225,381 0.989,382 3.506,383 1.727,384 0.756,385 1.08,386 1.974,387 0.731,388 1.507,389 0.693,390 2.924,391 1.002,396 1.273,397 0.399,398 2.746,399 0.938,400 -0.026,401 -0.031,402 -0.07,403 -0.025,404 0.942,405 0.131,406 2.397,407 0.419,408 -0.578,409 -0.866,411 -1.538,412 -0.569,413 0.738,414 -0.32,415 2.276,416 0.264,417 -0.745,418 -1.071,420 -1.887,421 -0.738,422 0.592,423 -0.8,424 2,425 0.058,426 -0.923,427 -1.365,429 -2.448,430 -0.907,431 0.477,432 -0.902,433 2,434 0.008,435 -1,436 -1.457,438 -2.743,439 -1.014,440 9.367,441 0.468,442 0.538,443 0.027,444 30.5,445 1.525,446 17,447 0.85,448 13.5,449 0.675,450 11.907,451 0.595,452 20.033,453 0.646,454 20.116,455 1.006,456 6.005,457 0.3,458 3.715,459 0.186,460 0.071,462 0.416,466 0.571,467 1.05,468 0.645,469 0.803,470 0.487,471 0.741,472 0.61,473 1.158,474 0.745,475 1.007,476 0.513,477 0.922,478 1.082,479 1.092,480 1.012,481 0.974,482 1.008,483 0.976,484 0.826,485 1.061,486 1.008,487 1.113,488 0.734,489 1.094,490 0.914,491 0.943,492 0.977,493 1.011,494 0.886,495 1,496 1.305,497 0.927,498 1.216,499 1.075,500 1.557,501 1.138,502 1.022,503 0.938,504 1.007,505 0.998,506 1.078,507 1.002,508 1.608,509 0.864,510 1.376,511 1.009,512 1.65,513 1.119,514 4,516 2.222,517 1.826,518 1.456,519 0.73,520 0.281,521 0.175,522 0.037,523 0.016,524 3458,525 10380,526 2.195,527 35.5,529 5,531 2,532 2,533 2,536 1.626,537 2.069,538 2.781,539 0.361,541 1,543 1,545 50.168,546 1.618,547 3.752,548 4.386,549 4.825,550 4.89,551 4.89,552 2.246,553 4.022,554 4.298,555 2.849,556 541.358,557 7.383,558 5219.63,559 1,560 1,563 153.58,564 1.361,565 4.262,566 0.174,568 0.065,569 0.049,570 0.044,571 0.026,572 0.016,573 0.015,574 0.009,575 0.016,576 0.414,577 0.67,578 1,579 0.548,580 84.831,581 0.055,582 0.046,583 0.037,584 0.094,585 -0.026,586 0.069,587 0.038,588 -0.123,589 -0.005,590 -0.081,591 0.037,592 -0.06,593 -0.196,594 -0.092,595 -0.146,596 -0.031,597 -0.142,598 -0.069,599 -0.026,600 -0.062,601 -0.085,602 -0.164,603 -0.027,604 -0.141,605 0.046,606 0.022,607 0.03,608 -0.04,609 0.05,610 -0.008,611 -0.086,612 -0.043,613 -0.121,614 -0.065,615 -0.187,616 -0.105,617 0.266,618 -0.042,619 0.162,620 0.006,621 0.32,622 0.054,623 -0.27,624 0.004,625 -0.126,626 0.015,627 -0.188,628 -0.013,629 1.738,630 5.025,631 0.9,632 11.04,633 1.016,634 1.115,635 -0.375,636 0.14,637 0.709,638 3.178,639 3.555,640 3.892,641 4.263,642 4.575,643 4.745,644 4.92,645 5.063,646 5.136,647 5.136,648 4.163,649 0.697,650 265.29,651 3.178,652 4.745,653 5.631,654 6.55,655 7.46,656 8.385,657 9.305,658 10.232,659 11.156,660 12.085,661 9.7,668 1,669 1,672 1,674 2,675 7,677 1,680 4,682 16,699 31,700 18,701 1,702 23,704 34,705 15,706 13,707 2,708 4,710 4,711 10,716 1,719 1,721 14,722 1,724 2,728 2,731 1,732 1,733 1,736 11,737 3,738 2,739 5,743 3,747 0.25,748 2,754 1,756 1,759 1,760 2,761 1,762 1,763 1,764 1,766 1,777 1,785 20,789 1,790 1,801 6.5,804 1,807 1,808 9.667,809 5.617,810 4.222,811 1.799,812 3.55,813 1.477,814 1.089,815 2.348,816 10.991,817 3.526,818 4.23,819 4.882,820 5.59,821 6.228,822 6.664,823 7.166,824 7.637,825 7.953,826 8.266,827 0.8,828 37,829 7.386,831 3.319,832 7.908,833 13.916,835 11.975,837 2.408,838 48.167,842 105.94,843 89.317,844 37.968,846 50.518,849 89.317,850 156.458,851 37.968,852 3.172,853 20.545,854 47.381,855 53.392,856 46.581,857 4.901,858 82.398,859 25.373,860 105.94,861 127.285,862 50.518,865 105.94,866 25.145,867 25.373,869 55.426,870 68.688,871 3.172,873 105.94,874 88.487,875 89.317,878 105.94,879 23.841,880 68.648,881 34.796,882 50.518,883 105.94,884 88.487,885 89.317,887 0.592,888 0.35,889 0.208,890 0.128,891 20,892 8,895 3,896 1.333,897 3.158,898 169.736,899 0.333,900 18,901 86.439,904 11.498,905 4.084,906 1.728,907 1.663,908 68.529,909 12.34,911 3.316,914 3.507,916 34.796,917 283.744,918 33,922 23.508,925 -0.071,926 31.494,927 34.575,928 0.327,929 0.757,930 0.885,931 0.974,932 0.987,933 0.987,934 4.771,935 1.092,936 5.638,937 3.173,938 4.234,939 4.916,940 2.076,941 6.512,942 4.193,943 6.021,944 0.756,945 7.228,946 2.872,947 3.892,948 4.902,949 1.593,950 7.496,951 3.84,952 7.364,954 8.917,955 1.974,956 5.878,957 7.257,958 3.1,959 10.664,960 5.797,961 8.743,962 -0.026,963 10.666,965 6.347,966 8.054,967 3.168,968 12.507,969 6.256,970 10.153,971 -0.578,972 12.454,973 -0.07,974 7.826,975 9.903,976 4.312,977 15.196,978 7.71,979 11.586,980 -0.745,981 14.27,982 -1.538,983 8.682,984 11.084,985 4.654,986 17.399,987 8.553,988 13.038,989 -0.923,990 16.108,991 -1.887,992 9.964,993 12.733,994 5.601,995 19.927,996 9.814,997 3.305,998 -1,999 17.962,1000 -2.448,1001 11.001,1002 14.099,1003 6.091,1004 22.277,1005 10.836,1006 2.822,1007 11.72,1008 19.829,1009 -2.743,1010 12.211,1011 15.669,1012 6.927,1013 24.752,1014 12.027,1015 2.298,1016 9.5,1017 21.707,1018 4.672,1019 13.329,1020 17.122,1021 7.5,1022 27.162,1023 13.129,1024 2.28,1025 6.856,1026 23.594,1027 3.936,1028 14.516,1029 18.663,1030 8.273,1031 29.622,1032 14.298,1033 1.922,1034 6.537,1035 25.488,1036 3.513,1037 15.671,1038 20.158,1039 8.894,1040 32.057,1041 15.436,1042 1.616,1043 5.72,1044 27.387,1045 2.864,1046 16.854,1047 21.691,1048 9.631,1049 34.513,1050 16.601,1051 1.397,1052 4.647,1053 29.291,1054 2.708,1055 18.026,1056 23.207,1057 10.279,1058 36.96,1059 17.756,1060 3273,1061 5758,1062 15.72,1063 21.972,1064 35.438,1065 36.886,1066 36.35,1067 35.004,1068 34.978,1069 49.45,1070 4.622,1071 105.998,1072 34.27,1073 5.586,1074 5.676,1075 6.608,1076 5.336,1077 5.305,1078 7.672,1079 3.497,1080 19.268,1081 5.246,1082 7.44,1083 1.541,1084 1.604,1085 1.58,1086 1.522,1087 1.521,1088 2.15,1089 0.201,1090 4.609,1091 1.49,1092 4.202,1093 4.236,1094 4.172,1095 4.09,1096 7.472,1097 4.105,1098 3.893,1099 3.927,1100 3.843,1101 3.792,1102 7.428,1103 3.797,1104 3.572,1105 3.614,1106 3.509,1107 3.381,1108 4.938,1109 3.402,1110 3.415,1111 3.463,1112 3.363,1113 3.118,1114 4.676,1115 3.172,1116 2.989,1117 3.052,1118 2.88,1119 2.826,1120 4.094,1121 2.833,1122 2.846,1123 2.903,1124 2.746,1125 2.703,1126 3.93,1127 2.711,1128 2.809,1129 2.867,1130 2.673,1131 2.691,1132 3.741,1133 2.679,1134 2.479,1135 2.55,1136 2.304,1137 2.243,1138 3.559,1139 2.255,1140 0.205,1141 0.16,1142 0.301,1143 0.186,1144 0.144,1145 4.714,1146 0.203,1147 3.676,1148 0.086,1149 6.927,1150 0.51,1151 4.287,1152 0.141,1153 3.305,1154 4.672,1155 1.987,1156 11.72,1157 3.246,1158 1.953,1159 1.923,1160 2.027,1161 2.143,1162 1.185,1163 2.105,1164 1.913,1165 1.887,1166 2.008,1167 1.999,1168 1.113,1169 2.003,1170 1.597,1171 1.559,1172 1.736,1173 1.789,1174 0.899,1175 1.772,1176 1.249,1177 1.197,1178 1.4,1179 1.54,1180 0.452,1181 1.499,1182 1.028,1183 0.98,1184 1.189,1185 1.296,1186 0.231,1187 1.263,1188 0.86,1189 0.802,1190 1.101,1191 1.044,1192 0.173,1193 1.074,1194 0.811,1195 0.754,1196 1.086,1197 0.993,1198 0.125,1199 1.029,1200 0.477,1201 0.413,1202 0.777,1203 0.781,1205 0.789,1206 3.85,1208 5.209,1209 2.398,1210 6.76,1211 4.949,1212 8.402,1213 7.222,1214 10.094,1222 0.258,1223 2.891,1231 21.601,1232 50.168,1233 116.319,1234 135.97,1235 149.58,1236 151.58,1237 151.58,1238 27.845,1239 7.441,1240 70.35,1241 70.35,1242 24,1243 12.588,1244 4.248,1245 3.459,1246 25.901,1247 52,1248 47,1249 0.268,1250 130.038,1251 215.38,1252 309.053,1253 15852,1255 13.69,1256 0.684,1257 0.526,1258 13.69,1259 10.512,1260 9.72,1261 0.423,1262 0.276,1263 6.265,1264 9.349,1265 6.165,1266 5.062,1267 9.72,1268 6.348,1269 9.191,1270 0.27,1271 0.144,1272 9.191,1273 4.881,1274 7.883,1275 0.164,1276 0.076,1277 7.883,1278 3.629,1279 7.159,1280 0.102,1281 0.039,1282 7.159,1283 2.75,1284 6.396,1285 0.067,1286 0.021,1287 6.396,1288 2.001,1289 0.391,1290 60.99,1291 0.252,1292 19.022,1293 0.836,1294 114,1295 339.782,1296 124.174,1297 331.196,1298 455.33,1299 308,1300 139,1301 345.234,1302 149.316,1303 347.161,1304 508.96,1305 328,1306 5} {0 CHEMBL1802355,1 1.662,2 11.52,3 2.798,4 7.829,5 92.47,6 8.434,7 0.429,8 3.843,9 3.932,10 3.515,11 3.345,12 5.045,13 3.38,14 4.338,15 4.456,16 3.873,17 3.698,18 5.578,19 3.724,20 4.434,21 4.587,22 3.79,23 3.736,24 5.645,25 3.726,26 4.436,27 4.621,28 3.629,29 3.674,30 5.535,31 3.623,32 4.403,33 4.628,34 3.58,35 3.583,36 5.503,37 3.538,38 4.282,39 4.478,40 3.556,41 3.455,42 5.485,43 3.451,44 4.141,45 4.303,46 3.518,47 3.311,48 5.488,49 3.33,50 4.053,51 4.224,52 3.379,53 3.227,54 5.308,55 3.232,56 0.122,57 0.582,58 6.439,59 3.392,60 7.527,61 3.609,62 0.503,63 0.901,64 13.226,65 5.642,66 27.416,67 5.999,68 0.407,69 0.996,70 14.935,71 6.068,72 32.138,73 6.886,74 0.411,75 0.975,76 16.412,77 6.508,78 30.805,79 7.997,80 0.42,81 0.95,82 17.717,83 6.051,84 33.888,85 8.051,86 0.406,87 0.831,88 14.953,89 5.014,90 34.555,91 6.161,92 0.525,93 0.7,94 12.344,95 4.144,96 41.694,97 4.871,98 0.443,99 0.623,100 11.779,101 4.122,102 36.861,103 4.885,104 6,105 39,106 0.291,107 0.632,108 0.762,109 0.848,110 0.869,111 0.869,112 3.266,113 0.818,114 -3.24,115 -3.23,116 -3.1,119 45,123 1,125 1,130 1,132 1,133 7,134 1,135 4,147 1,148 1,159 6,161 1,162 5,164 3,165 1,166 2,168 6,171 1,172 8,176 3,178 4,182 8,185 1,187 4,194 6,197 1,199 5,205 1,206 3,211 3,213 2,216 3,217 2,220 2,222 1,224 4,228 1,232 2,237 6,241 1,242 1,245 1,250 6,255 920,256 17.212,257 17.212,258 17.212,259 17.212,260 17.212,261 15.258,262 23.477,263 10.092,264 17.687,265 13.793,266 13.793,267 13.793,268 13.793,269 13.793,270 10.647,271 29.916,272 4.773,273 14.472,274 3.66,275 1.719,276 0.979,277 0.488,278 0.369,279 0.369,280 3.966,283 1,284 1,285 638,286 2.646,288 131.909,289 152.563,291 107.571,295 1.939,296 24.774,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 55.5,307 288,308 4.372,309 3.667,310 6.22,311 3.968,312 3.003,313 3.975,314 1.392,315 9.369,316 2.901,317 4.239,318 3.305,319 6.148,320 3.849,321 2.9,322 3.72,323 1.305,324 9.11,325 2.748,326 4.032,327 2.958,328 5.553,329 3.611,330 2.645,331 3.603,332 0.964,333 7.55,334 2.552,335 3.651,336 2.796,337 5.292,338 3.268,339 2.317,340 2.952,341 0.86,342 6.803,343 2.205,344 3.486,345 2.464,346 5.176,347 3.13,348 2.167,349 2.764,350 0.532,351 6.389,352 2.064,353 3.222,354 2.3,355 4.809,356 2.719,357 1.767,358 2.376,359 0.268,360 5.264,361 1.669,362 2.887,363 1.992,364 4.369,365 2.477,366 1.534,367 2.024,369 4.215,370 1.439,371 2.781,372 1.856,373 4.128,374 2.273,375 1.291,376 1.715,378 3.529,379 1.255,380 2.5,381 1.622,382 3.448,383 2.071,384 1.079,385 1.5,386 2.434,387 1.068,388 2.194,389 1.135,390 3.414,391 2,392 1,393 1.171,394 2.275,395 1,396 1.758,397 1,398 3.093,399 1.459,400 0.587,401 0.656,402 1.169,403 0.507,404 1.687,405 0.796,406 3.004,407 1.41,408 0.476,409 0.559,411 0.986,412 0.441,413 1.331,414 0.631,415 2.861,416 0.907,417 -0.022,418 -0.026,420 -0.049,421 -0.02,422 1.103,423 0.346,424 2.588,425 0.819,426 -0.138,427 -0.165,429 -0.363,430 -0.132,431 0.842,432 -0.048,433 2.288,434 0.394,435 -0.626,436 -0.82,438 -1.467,439 -0.621,440 11.533,441 0.461,442 0.55,443 0.022,444 35.75,445 1.43,446 18.5,447 0.74,448 17.25,449 0.69,450 15.449,451 0.618,452 26.267,453 0.657,454 25.463,455 1.019,456 7.494,457 0.3,458 4.713,459 0.189,460 0.072,462 0.347,466 0.884,467 1.275,468 0.673,469 1.072,470 0.678,471 0.859,472 1.048,473 0.902,474 0.834,475 0.863,476 0.727,477 0.819,478 1.044,479 1.166,480 1.07,481 1.097,482 0.988,483 1.082,484 0.876,485 1.227,486 1.084,487 1.163,488 0.842,489 1.179,490 0.763,491 1.035,492 0.874,493 0.902,494 0.929,495 0.899,496 1.058,497 1.079,498 0.942,499 0.925,500 1.41,501 0.89,502 0.984,503 0.941,504 0.957,505 0.912,506 1.686,507 0.915,508 1.021,509 0.955,510 0.919,511 0.914,512 1.456,513 0.895,514 5.5,515 0.095,516 2.222,517 1.674,518 0.996,519 0.699,520 0.496,521 0.301,522 0.222,523 0.101,524 8202,525 24775,526 2.154,527 37.5,529 11,530 2,532 2,536 1.675,537 2.055,538 3.487,539 0.312,540 1,541 1,543 1,545 66.46,546 1.662,547 3.603,548 4.343,549 4.834,550 4.953,551 4.953,552 2.992,553 4.484,554 4.614,555 3.651,556 1095.39,557 7.952,558 13598.2,559 1,560 1,561 1,562 1,563 212.877,564 1.26,565 4.592,566 0.196,567 0.006,568 0.057,569 0.048,570 0.034,571 0.025,572 0.018,573 0.012,574 0.01,575 0.006,576 0.413,577 0.33,578 1,579 0.663,580 122.447,581 -0.101,582 -0.163,583 0.049,584 -0.094,585 -0.108,587 0.03,588 0.147,589 0.025,590 0.101,591 0.027,592 0.056,593 -0.149,594 -0.115,595 -0.193,596 -0.142,597 -0.058,598 -0.168,599 -0.072,600 -0.235,601 -0.148,602 -0.184,603 -0.053,604 -0.192,605 -0.01,606 -0.031,607 0.134,608 0.057,609 0.016,610 0.122,611 -0.105,612 -0.054,613 0.051,614 0.009,615 -0.062,616 0.065,617 0.194,618 0.102,619 0.022,620 0.002,621 0.038,622 -0.026,623 0.119,624 0.024,625 0.083,626 0.039,628 0.048,629 1.936,630 5.104,631 0.8,632 23.296,633 1.023,634 1.121,635 2.015,636 4.059,637 0.685,638 3.367,639 3.689,640 3.951,641 4.205,642 4.357,643 4.407,644 4.554,645 4.673,646 4.71,647 4.828,648 6.685,649 0.677,650 337.36,651 3.367,652 4.905,653 5.753,654 6.624,655 7.484,656 8.357,657 9.222,658 10.096,659 10.964,660 11.838,661 7.5,666 1,668 1,670 1,675 7,680 5,682 12,692 1,697 3,699 40,700 15,701 2,702 28,704 43,705 18,706 12,707 5,708 7,709 4,710 4,711 5,714 1,721 16,722 2,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 7,738 2,739 7,743 3,747 0.75,748 4,759 2,760 2,762 1,766 1,770 2,777 3,781 1,785 25,789 1,790 2,791 3,801 10,804 1,806 3,808 12.167,809 7.533,810 5.472,811 2.142,812 3.157,813 1.425,814 1.008,815 4.235,816 10.592,817 3.638,818 4.22,819 4.766,820 5.302,821 5.799,822 6.007,823 6.391,824 6.781,825 7.078,826 7.386,827 0.875,828 35,829 9.182,831 3.917,832 7.833,833 17.201,835 13.817,837 2.333,838 58.333,841 1,842 153.024,843 124.376,844 52.807,846 58.145,849 124.376,850 211.169,851 52.807,852 10.883,853 24.661,854 75.81,855 50.617,856 71.458,857 25.441,858 129.482,860 153.024,861 177.183,862 58.145,865 153.024,866 58.145,869 41.447,870 105.493,871 30.244,873 153.024,874 110.952,875 124.376,878 153.024,879 37.683,880 86.693,881 36.022,882 74.93,883 153.024,884 110.952,885 124.376,887 0.581,888 0.34,889 0.18,890 0.092,891 20,892 8,893 0.093,894 4,895 1,896 1.1,897 3.883,898 204.375,899 0.1,900 20,901 112.096,904 15.842,905 6.684,906 3.415,908 110.952,909 12.791,914 3.719,916 36.022,917 388.352,918 37,922 12.104,923 1.694,924 4.298,925 0.422,926 40.916,927 44.824,928 0.312,929 0.677,930 0.816,931 0.908,932 0.931,933 0.931,934 4.875,935 1.291,936 5.727,937 4.215,938 4.369,939 4.905,940 2.481,941 6.503,942 4.282,943 6.076,944 1.079,945 7.261,946 3.529,947 3.892,948 4.649,949 0.623,950 7.273,951 3.762,952 7.379,953 1,954 8.884,955 2.434,956 5.938,957 7.05,958 2.761,959 10.332,960 5.766,961 8.715,962 0.587,963 10.56,964 2.275,965 6.275,966 7.568,967 1.178,968 11.904,969 6.052,970 10.079,971 0.476,972 12.268,973 1.169,974 7.761,975 9.442,976 3.203,977 14.443,978 7.51,979 11.46,980 -0.022,981 13.998,982 0.986,983 8.477,984 10.327,985 1.72,986 16.364,987 8.172,988 12.857,989 -0.138,990 15.744,991 -0.049,992 9.729,993 11.964,994 3.731,995 18.711,996 9.398,997 3.003,998 -0.626,999 17.503,1000 -0.363,1001 10.63,1002 13.044,1003 2.269,1004 20.793,1005 10.246,1006 2.9,1007 9.369,1008 19.271,1009 -1.467,1010 11.779,1011 14.558,1012 4.307,1013 23.063,1014 11.368,1015 2.645,1016 9.11,1017 21.047,1018 3.975,1019 12.77,1020 15.75,1021 2.823,1022 25.221,1023 12.309,1024 2.317,1025 7.55,1026 22.829,1027 3.72,1028 13.877,1029 17.196,1030 4.911,1031 27.461,1032 13.384,1033 2.167,1034 6.803,1035 24.617,1036 3.603,1037 14.912,1038 18.454,1039 3.377,1040 29.654,1041 14.374,1042 1.767,1043 6.389,1044 26.41,1045 2.952,1046 16.001,1047 19.861,1048 5.531,1049 31.883,1050 15.43,1051 1.534,1052 5.264,1053 28.206,1054 2.764,1055 17.059,1056 21.16,1057 3.928,1058 34.093,1059 16.445,1060 7656,1061 13448,1062 19.186,1063 27.404,1064 41.92,1065 43.33,1066 42.6,1067 41.503,1068 41.534,1069 54.033,1070 10.641,1071 118.184,1072 39.697,1073 5.273,1074 5.667,1075 5.772,1076 5.02,1077 5.003,1078 6.975,1079 2.783,1080 15.712,1081 4.901,1082 9.238,1083 1.497,1084 1.547,1085 1.521,1086 1.482,1087 1.483,1088 1.93,1089 0.38,1090 4.221,1091 1.418,1092 4.005,1093 4.028,1094 3.965,1095 3.903,1096 7.43,1097 3.912,1098 3.909,1099 3.931,1100 3.857,1101 3.82,1102 5.016,1103 3.823,1104 3.75,1105 3.78,1106 3.717,1107 3.553,1108 4.897,1109 3.591,1110 3.328,1111 3.364,1112 3.237,1113 3.077,1114 4.736,1115 3.113,1116 3.256,1117 3.309,1118 3.118,1119 2.979,1120 4.405,1121 3.002,1122 3.007,1123 3.078,1124 2.864,1125 2.809,1126 4.307,1127 2.81,1128 2.891,1129 2.943,1130 2.784,1131 2.735,1132 3.985,1133 2.715,1134 2.854,1135 2.925,1136 2.687,1137 2.695,1138 3.768,1139 2.701,1140 0.156,1141 0.131,1142 0.222,1143 0.142,1144 0.107,1145 4.372,1146 0.142,1147 3.667,1148 0.05,1149 6.22,1150 0.335,1151 3.968,1152 0.104,1153 3.003,1154 3.975,1155 1.392,1156 9.369,1157 2.901,1158 1.893,1159 1.877,1160 1.988,1161 1.997,1162 1.098,1163 1.995,1164 1.878,1165 1.854,1166 1.974,1167 1.967,1168 1.064,1169 1.969,1170 1.436,1171 1.419,1172 1.576,1173 1.636,1174 0.591,1175 1.596,1176 1.312,1177 1.248,1178 1.514,1179 1.608,1180 0.578,1181 1.574,1182 1.165,1183 1.124,1184 1.434,1185 1.517,1186 0.565,1187 1.487,1188 1.155,1189 1.084,1190 1.391,1191 1.474,1192 0.357,1193 1.478,1194 0.886,1195 0.821,1196 1.181,1197 1.07,1198 0.218,1199 1.107,1200 0.818,1201 0.788,1202 1.086,1203 1.062,1204 0.155,1205 1.058,1206 4.043,1208 5.361,1209 3.045,1210 6.858,1211 5.352,1212 8.431,1213 7.38,1214 10.046,1216 1.608,1222 0.212,1223 5.755,1224 15.73,1231 27.084,1232 66.46,1233 144.106,1234 173.716,1235 193.367,1236 198.122,1237 198.122,1238 31.878,1239 7.435,1240 85.47,1241 85.47,1242 22,1243 12.38,1244 4,1245 3.322,1246 36.154,1247 100,1248 108,1249 0.175,1250 163.88,1251 293.12,1252 391.628,1253 17875,1255 17.225,1256 0.689,1257 0.536,1258 17.225,1259 13.406,1260 12.208,1261 0.436,1262 0.273,1263 7.465,1264 11.549,1265 7.317,1266 6.066,1267 12.208,1268 7.636,1269 10.971,1270 0.281,1271 0.139,1272 10.971,1273 5.41,1274 9.391,1275 0.184,1276 0.074,1277 9.391,1278 3.75,1279 7.785,1280 0.118,1281 0.038,1282 7.785,1283 2.5,1284 5.923,1285 0.077,1286 0.02,1287 5.923,1288 1.55,1289 0.28,1290 77.981,1291 0.228,1292 24.681,1293 0.465,1294 134,1295 461.253,1296 152.727,1297 431.129,1298 590.39,1299 406,1300 157,1301 435.415,1302 175.315,1303 437.667,1304 640.26,1305 409,1306 6.959} {0 CHEMBL1802356,1 1.708,2 11,3 2.583,4 6.669,5 91.774,6 9.009,7 0.4,8 3.86,9 3.932,10 3.587,11 3.35,12 5.065,13 3.41,14 4.377,15 4.468,16 3.978,17 3.728,18 5.657,19 3.782,20 4.444,21 4.584,22 3.846,23 3.745,24 5.666,25 3.752,26 4.428,27 4.597,28 3.697,29 3.659,30 5.555,31 3.633,32 4.361,33 4.565,34 3.617,35 3.535,36 5.497,37 3.524,38 4.247,39 4.415,40 3.631,41 3.442,42 5.515,43 3.467,44 4.17,45 4.317,46 3.623,47 3.325,48 5.522,49 3.377,50 4.06,51 4.207,52 3.47,53 3.251,54 5.403,55 3.283,56 0.195,57 0.577,58 5.256,59 3.284,60 9.839,61 2.997,62 0.69,63 0.914,64 11.691,65 5.583,66 31.172,67 5.015,68 0.521,69 0.999,70 13.081,71 6.01,72 32.507,73 6.08,74 0.569,75 0.957,76 14.868,77 6.3,78 33.328,79 7.078,80 0.551,81 0.915,82 15.88,83 5.518,84 35.939,85 6.595,86 0.532,87 0.809,88 12.65,89 4.606,90 35.47,91 5.009,92 0.598,93 0.712,94 11.726,95 4.29,96 44.78,97 4.578,98 0.577,99 0.631,100 10.479,101 3.869,102 43.197,103 4.004,104 2,105 43,106 0.3,107 0.634,108 0.722,109 0.828,110 0.873,111 0.891,112 3.304,113 0.793,114 -2.9,115 -2.91,116 -2.81,119 46.2,125 2,130 1,132 1,133 6,134 1,135 5,147 1,148 1,159 5,161 2,162 5,164 3,165 1,166 2,168 5,171 1,172 9,176 2,178 3,182 9,185 2,187 4,194 5,197 1,199 4,205 2,206 3,209 1,211 3,213 2,216 3,217 1,220 2,222 1,224 3,228 2,229 1,232 2,237 5,241 1,242 2,245 1,250 4,255 964,256 17.997,257 17.997,258 17.997,259 17.997,260 17.997,261 16.042,262 25.765,263 10.501,264 18.437,265 14.87,266 14.87,267 14.87,268 14.87,269 14.87,270 11.672,271 34.81,272 5.052,273 15.59,274 3.578,275 1.671,276 1.167,277 0.564,278 0.308,279 0.205,280 4.019,283 1,284 1,285 657,286 2.55,288 192.169,289 134.805,291 215.175,295 1.846,296 28.935,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 58.5,307 286,308 4.376,309 3.668,310 6.223,311 3.974,312 3.012,313 3.978,314 1.392,315 9.386,316 2.903,317 4.294,318 3.312,319 6.196,320 3.895,321 2.944,322 3.929,323 1.392,324 9.268,325 2.792,326 4.222,327 3.305,328 6.143,329 3.83,330 2.878,331 3.68,332 1.305,333 9.083,334 2.733,335 3.701,336 2.897,337 5.446,338 3.338,339 2.388,340 3.003,341 0.964,342 7.23,343 2.259,344 3.527,345 2.469,346 5.221,347 3.179,348 2.2,349 2.826,350 0.532,351 6.542,352 2.141,353 3.236,354 2.33,355 4.84,356 2.736,357 1.779,358 2.388,359 0.532,360 5.329,361 1.69,362 2.887,363 1.992,364 4.369,365 2.477,366 1.534,367 2.024,368 0.268,369 4.217,370 1.439,371 2.886,372 1.991,373 4.361,374 2.477,375 1.534,376 2.023,378 4.199,379 1.438,380 2.781,381 1.869,382 4.128,383 2.273,384 1.291,385 1.715,386 3.529,387 1.255,388 2.205,389 1.712,390 3.451,391 2.091,392 1.098,393 1.184,394 2.449,395 1.088,396 2.192,397 1.609,398 3.446,399 2.07,400 1.078,401 1.169,402 2.431,403 1.068,404 1.732,405 0.823,406 3.103,407 1.426,408 0.492,409 0.586,411 1.196,412 0.455,413 1.683,414 0.794,415 3.073,416 1.404,417 0.47,418 0.552,420 1.143,421 0.435,422 1.32,423 0.627,424 2.897,425 0.892,426 -0.057,427 -0.071,429 -0.165,430 -0.054,431 1.052,432 0.282,433 2.832,434 0.793,435 -0.167,436 -0.194,438 -0.47,439 -0.159,440 11.867,441 0.456,442 0.602,443 0.023,444 37.75,445 1.452,446 19,447 0.731,448 18.75,449 0.721,450 16.14,451 0.621,452 27.133,453 0.696,454 26.585,455 1.022,456 7.775,457 0.299,458 4.967,459 0.191,460 0.028,462 0.379,466 0.907,467 1.263,468 0.618,469 1.065,470 0.694,471 0.811,472 1.041,473 0.88,474 0.844,475 0.85,476 0.739,477 0.809,478 0.977,479 1.175,480 1.079,481 1.129,482 0.962,483 1.124,484 0.858,485 1.202,486 1.085,487 1.146,488 0.828,489 1.188,490 0.873,491 1.069,492 0.951,493 0.892,494 1.006,495 0.916,496 0.974,497 1.038,498 0.97,499 0.92,500 1.406,501 0.92,502 0.972,503 1.045,504 0.871,505 0.942,506 1.65,507 0.89,508 0.944,509 0.792,510 0.985,511 0.845,512 1.313,513 0.888,514 5.5,515 0.092,516 2.444,517 1.931,518 0.942,519 0.716,520 0.44,521 0.361,522 0.216,523 0.105,524 9701,525 30118,526 2.241,527 33.3,529 7,530 4,532 2,536 1.686,537 2.167,538 3.448,539 0.327,540 1,541 1,543 1,545 66.602,546 1.708,547 3.615,548 4.118,549 4.721,550 4.978,551 5.08,552 2.902,553 4.624,554 4.675,555 3.632,556 1180.54,557 8.07,558 15010.8,559 1,560 1,562 1,563 206.131,564 1.142,565 4.66,566 0.183,567 0.006,568 0.057,569 0.052,570 0.03,571 0.025,572 0.015,573 0.013,574 0.009,575 0.006,576 0.396,577 0.5,578 0.88,579 0.362,580 128.583,581 -0.13,582 -0.176,583 0.048,584 -0.112,585 -0.121,586 0.002,587 0.024,588 0.153,589 -0.03,590 0.101,591 0.01,592 0.025,593 -0.152,594 -0.137,595 -0.217,596 -0.176,597 -0.069,598 -0.203,599 -0.048,600 -0.219,601 -0.126,602 -0.166,603 -0.03,604 -0.181,605 -0.081,606 -0.048,607 0.085,608 0.061,609 -0.037,610 0.119,611 -0.052,612 0.017,614 0.004,615 -0.064,616 0.021,617 0.127,618 -0.03,619 0.121,620 -0.012,621 -0.011,622 0.029,623 0.137,624 0.224,625 -0.005,626 0.095,627 0.107,628 0.036,629 1.953,630 5.166,631 0.885,632 23.314,633 1.035,634 1.118,635 1.672,636 2.796,637 0.695,638 3.434,639 3.784,640 4.078,641 4.369,642 4.5,643 4.585,644 4.754,645 4.905,646 4.92,647 5.056,648 6.695,649 0.699,650 351.34,651 3.434,652 4.99,653 5.855,654 6.742,655 7.615,656 8.502,657 9.378,658 10.264,659 11.142,660 12.026,661 7.7,666 1,668 1,670 1,675 6,680 6,682 12,692 1,697 4,699 39,700 15,701 2,702 30,704 43,705 18,706 12,707 6,708 6,709 4,710 5,711 7,714 1,721 16,722 2,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 13,737 8,738 2,739 8,743 3,747 0.6,748 5,759 3,760 2,762 2,766 1,770 2,777 3,785 26,789 2,790 2,791 4,801 12.8,804 1,806 4,808 12,809 7.117,810 5.5,811 2.135,812 3.273,813 1.415,814 1.044,815 3.724,816 11.164,817 3.689,818 4.29,819 4.856,820 5.413,821 5.895,822 6.149,823 6.533,824 6.934,825 7.187,826 7.511,827 1,828 37,829 9.57,831 4.213,832 7.846,833 17.912,835 14.826,837 2.346,838 61,842 129.482,843 115.911,844 52.807,846 69.144,849 115.911,850 198.627,851 52.807,853 31.311,854 66.334,855 50.617,856 87.701,857 48.984,858 82.398,860 129.482,861 168.718,862 69.144,865 129.482,866 69.144,869 48.097,870 90.377,871 30.244,873 129.482,874 121.952,875 115.911,878 129.482,879 49.577,880 66.334,881 36.022,882 85.93,883 129.482,884 121.952,885 115.911,887 0.589,888 0.346,889 0.191,890 0.093,891 24,892 9,893 0.07,894 3,895 2,896 1.174,897 4.028,898 225.461,899 0.174,900 23,901 120.211,904 15.546,905 6.229,906 3.011,908 121.952,909 10.856,914 4.217,916 36.022,917 367.344,918 39,922 12.166,923 1.686,924 4.309,925 0.36,926 40.36,927 43.618,928 0.323,929 0.684,930 0.779,931 0.893,932 0.942,933 0.961,934 4.949,935 1.534,936 5.838,937 4.217,938 4.466,939 4.977,940 2.702,941 6.64,942 4.376,943 6.154,944 1.291,945 7.385,946 4.199,947 4.007,948 4.771,949 0.623,950 7.445,951 3.868,952 7.466,953 1.098,954 9.023,955 3.529,956 6.057,957 7.137,958 3.108,959 10.533,960 5.875,961 8.811,962 1.078,963 10.715,964 2.449,965 6.431,966 7.723,967 1.178,968 12.152,969 6.192,970 10.185,971 0.492,972 12.441,973 2.431,974 7.915,975 9.564,976 3.647,977 14.708,978 7.644,979 11.579,980 0.47,981 14.19,982 1.196,983 8.67,984 10.515,985 1.72,986 16.668,987 8.339,988 12.987,989 -0.057,990 15.955,991 1.143,992 9.922,993 12.127,994 4.238,995 19.027,996 9.56,997 3.012,998 -0.167,999 17.731,1000 -0.165,1001 10.854,1002 13.265,1003 2.269,1004 21.134,1005 10.434,1006 2.944,1007 9.386,1008 19.517,1009 -0.47,1010 12.007,1011 14.764,1012 4.854,1013 23.414,1014 11.555,1015 2.878,1016 9.268,1017 21.309,1018 3.978,1019 13.02,1020 16.002,1021 2.823,1022 25.586,1023 12.514,1024 2.388,1025 9.083,1026 23.107,1027 3.929,1028 14.133,1029 17.441,1030 5.484,1031 27.834,1032 13.59,1033 2.2,1034 7.23,1035 24.909,1036 3.68,1037 15.183,1038 18.735,1039 3.377,1040 30.036,1041 14.591,1042 1.779,1043 6.542,1044 26.715,1045 3.003,1046 16.279,1047 20.142,1048 6.123,1049 32.271,1050 15.648,1051 1.534,1052 5.329,1053 28.523,1054 2.826,1055 17.347,1056 21.467,1057 3.928,1058 34.486,1059 16.67,1060 8672,1061 15434,1062 20.978,1063 27.097,1064 45.685,1065 47.425,1066 45.529,1067 45.381,1068 45.396,1069 58.112,1070 12.767,1071 132.006,1072 43.39,1073 5.287,1074 5.668,1075 5.735,1076 5.05,1077 5.012,1078 6.978,1079 2.783,1080 15.743,1081 4.903,1082 6.32,1083 1.523,1084 1.581,1085 1.518,1086 1.513,1087 1.513,1088 1.937,1089 0.426,1090 4.4,1091 1.446,1092 4.012,1093 4.034,1094 3.974,1095 3.905,1096 7.43,1097 3.916,1098 3.938,1099 3.948,1100 3.897,1101 3.834,1102 5.032,1103 3.846,1104 3.761,1105 3.79,1106 3.733,1107 3.555,1108 4.996,1109 3.595,1110 3.355,1111 3.382,1112 3.273,1113 3.097,1114 4.764,1115 3.137,1116 3.278,1117 3.306,1118 3.18,1119 3.009,1120 4.397,1121 3.048,1122 2.991,1123 3.053,1124 2.88,1125 2.812,1126 4.285,1127 2.816,1128 2.896,1129 2.947,1130 2.79,1131 2.735,1132 3.991,1133 2.735,1134 2.775,1135 2.828,1136 2.675,1137 2.596,1138 3.973,1139 2.599,1140 0.146,1141 0.122,1142 0.207,1143 0.132,1144 0.1,1145 4.376,1146 0.133,1147 3.668,1148 0.046,1149 6.223,1150 0.313,1151 3.974,1152 0.097,1153 3.012,1154 3.978,1155 1.392,1156 9.386,1157 2.903,1158 1.892,1159 1.876,1160 1.976,1161 1.976,1162 1.098,1163 1.974,1164 1.855,1165 1.835,1166 1.942,1167 1.96,1168 1.054,1169 1.956,1170 1.436,1171 1.419,1172 1.514,1173 1.618,1174 0.591,1175 1.574,1176 1.289,1177 1.224,1178 1.442,1179 1.59,1180 0.579,1181 1.548,1182 1.157,1183 1.125,1184 1.434,1185 1.518,1186 0.566,1187 1.484,1188 1.155,1189 1.121,1190 1.387,1191 1.514,1192 0.355,1193 1.48,1194 0.829,1195 0.808,1196 1.093,1197 1.087,1198 0.157,1199 1.064,1200 0.794,1201 0.741,1202 1.081,1203 0.988,1204 0.153,1205 1.02,1206 4.111,1208 5.451,1209 3.434,1210 6.963,1211 5.733,1212 8.555,1213 7.751,1214 10.19,1222 0.413,1223 5.752,1224 21.242,1231 27.272,1232 66.602,1233 140.969,1234 160.621,1235 184.131,1236 194.131,1237 198.131,1238 31.109,1239 7.891,1240 94.7,1241 94.7,1242 27,1243 12.56,1244 4,1245 3.322,1246 34.118,1247 106,1248 83,1249 0.156,1250 160.483,1251 289.55,1252 383.339,1253 32492,1255 17.51,1256 0.673,1257 0.517,1258 17.51,1259 13.444,1260 12.742,1261 0.425,1262 0.264,1263 7.729,1264 11.991,1265 7.643,1266 6.265,1267 12.742,1268 7.926,1269 11.806,1270 0.275,1271 0.134,1272 11.806,1273 5.75,1274 10.245,1275 0.177,1276 0.07,1277 10.245,1278 4.032,1279 8.923,1280 0.114,1281 0.036,1282 8.923,1283 2.8,1284 6.631,1285 0.075,1286 0.019,1287 6.631,1288 1.711,1289 0.249,1290 81.889,1291 0.218,1292 25.438,1293 0.416,1294 146,1295 518.989,1296 169.156,1297 478.834,1298 659.14,1299 452,1300 174,1301 490.778,1302 197.076,1303 489.014,1304 724.43,1305 458,1306 7.18} {0 CHEMBL1802357,1 1.686,2 11.667,3 2.6,4 6.761,5 96.964,6 8.699,7 0.387,8 3.919,9 3.997,10 3.618,11 3.41,12 5.097,13 3.46,14 4.444,15 4.548,16 4.001,17 3.784,18 5.676,19 3.827,20 4.579,21 4.728,22 3.933,23 3.824,24 5.782,25 3.832,26 4.495,27 4.664,28 3.753,29 3.745,30 5.603,31 3.711,32 4.455,33 4.657,34 3.682,35 3.653,36 5.563,37 3.624,38 4.373,39 4.563,40 3.673,41 3.537,42 5.579,43 3.538,44 4.257,45 4.421,46 3.657,47 3.399,48 5.565,49 3.437,50 4.158,51 4.319,52 3.545,53 3.336,54 5.463,55 3.361,56 0.173,57 0.616,58 6.316,59 3.623,60 9.58,61 3.586,62 0.604,63 0.979,64 13.651,65 6.191,66 30.946,67 6.058,68 0.698,69 1.098,70 17.694,71 6.932,72 43.344,73 7.363,74 0.533,75 1.027,76 16.369,77 6.852,78 33.157,79 8.018,80 0.521,81 1.003,82 17.402,83 6.219,84 35.535,85 7.712,86 0.546,87 0.91,88 15.796,89 5.443,90 38.386,91 6.582,92 0.614,93 0.78,94 13.846,95 4.67,96 46.311,97 5.36,98 0.585,99 0.706,100 12.347,101 4.269,102 44.528,103 4.827,104 2,105 44,106 0.292,107 0.633,108 0.754,109 0.859,110 0.883,111 0.892,112 3.34,113 0.815,114 -2.73,115 -2.74,116 -2.66,119 45.2,124 2,125 1,130 1,132 1,133 6,134 1,135 5,147 1,148 1,159 5,161 1,162 5,164 3,165 1,166 2,168 5,171 2,172 9,176 2,178 3,182 9,185 2,187 4,194 5,197 1,199 4,205 2,206 3,209 1,211 3,213 2,216 3,217 1,220 2,222 1,224 3,228 2,229 1,232 2,237 5,241 1,242 2,245 1,250 4,255 1074,256 18.704,257 18.704,258 18.704,259 18.704,260 18.704,261 16.749,262 27.159,263 11.001,264 19.268,265 15.37,266 15.37,267 15.37,268 15.37,269 15.37,270 12.172,271 36.554,272 5.299,273 16.289,274 3.707,275 1.73,276 1.036,277 0.429,278 0.286,279 0.238,280 4.056,283 1,284 1,285 719,286 2.55,288 133.576,289 213.765,291 111.346,292 121.895,295 1.926,296 30.051,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 60.5,307 315,308 4.376,309 3.668,310 6.222,311 3.973,312 3.01,313 3.977,314 1.392,315 9.383,316 2.902,317 4.285,318 3.305,319 6.187,320 3.88,321 2.934,322 3.921,323 1.305,324 9.246,325 2.772,326 4.219,327 3.258,328 6.142,329 3.822,330 2.872,331 3.68,332 0.964,333 9.079,334 2.723,335 3.698,336 2.892,337 5.444,338 3.33,339 2.384,340 2.999,341 0.86,342 7.225,343 2.246,344 3.525,345 2.468,346 5.221,347 3.175,348 2.199,349 2.822,350 0.86,351 6.54,352 2.131,353 3.235,354 2.328,355 4.84,356 2.735,357 1.784,358 2.386,359 0.532,360 5.33,361 1.684,362 2.923,363 2.172,364 4.408,365 2.53,366 1.618,367 2.061,368 0.268,369 4.352,370 1.469,371 2.887,372 1.992,373 4.369,374 2.477,375 1.534,376 2.024,378 4.214,379 1.439,380 2.781,381 1.876,382 4.128,383 2.312,384 1.393,385 1.715,386 3.529,387 1.267,388 2.475,389 1.774,390 3.616,391 2.273,392 1.291,393 1.473,394 2.998,395 1.255,396 2.194,397 1.614,398 3.448,399 2.071,400 1.079,401 1.17,402 2.434,403 1.068,404 1.922,405 1.013,406 3.187,407 1.6,408 0.701,409 0.83,411 1.623,412 0.624,413 1.695,414 0.796,415 3.088,416 1.414,417 0.477,418 0.562,420 1.163,421 0.443,422 1.359,423 0.633,424 2.938,425 0.947,426 0.02,427 0.024,429 0.055,430 0.018,431 1.139,432 0.385,433 2.848,434 0.837,435 -0.127,436 -0.155,438 -0.357,439 -0.122,440 12.367,441 0.458,442 0.602,443 0.022,444 38.25,445 1.417,446 19,447 0.704,448 19.25,449 0.713,450 17.72,451 0.656,452 28.433,453 0.677,454 27.425,455 1.016,456 7.83,457 0.29,458 5.412,459 0.2,460 0.027,462 0.364,466 0.894,467 1.274,468 0.64,469 1.083,470 0.681,471 0.841,472 1.104,473 0.959,474 0.858,475 0.936,476 0.758,477 0.859,478 1.116,479 1.049,480 1.069,481 0.984,482 0.993,483 0.998,484 0.842,485 1.216,486 1.068,487 1.16,488 0.814,489 1.185,490 0.835,491 1.106,492 0.967,493 0.96,494 0.972,495 0.98,496 0.903,497 1.073,498 0.938,499 0.95,500 1.292,501 0.94,502 0.974,503 0.998,504 0.875,505 0.892,506 1.591,507 0.854,508 0.92,509 0.897,510 0.927,511 0.855,512 1.257,513 0.865,514 5.5,515 0.112,516 2.444,517 1.861,518 1.129,519 0.719,520 0.474,521 0.345,522 0.245,523 0.109,524 10693,525 31878,526 2.231,527 35.7,529 11,530 2,532 2,536 1.696,537 2.16,538 3.521,539 0.304,540 1,541 1,545 70.799,546 1.686,547 3.662,548 4.356,549 4.964,550 5.107,551 5.154,552 2.985,553 4.533,554 4.729,555 3.692,556 1295.79,557 8.179,558 16979.6,559 1,560 1,562 1,563 226.477,564 1.125,565 4.716,566 0.177,567 0.006,568 0.056,569 0.047,570 0.034,571 0.023,572 0.016,573 0.012,574 0.009,575 0.005,576 0.386,577 0.5,578 0.88,579 0.352,580 135.468,581 -0.113,582 -0.171,583 0.054,584 -0.106,585 -0.099,586 0.003,587 -0.04,588 0.08,589 -0.019,590 0.027,591 -0.001,592 0.003,593 -0.127,594 -0.03,595 -0.147,596 -0.027,597 -0.057,598 -0.073,599 -0.043,600 -0.218,601 -0.144,602 -0.177,603 -0.028,604 -0.198,605 -0.068,606 -0.081,607 0.019,608 -0.004,609 -0.038,610 0.029,611 -0.008,612 -0.034,613 0.054,614 -0.017,615 -0.016,616 0.027,617 0.126,618 0.033,619 0.124,620 0.029,621 0.015,622 0.064,623 0.152,624 0.137,625 0.054,626 0.074,627 0.128,628 0.054,629 1.951,630 5.211,631 0.889,632 25.086,633 1.03,634 1.12,635 1.499,636 2.246,637 0.687,638 3.466,639 3.807,640 4.094,641 4.382,642 4.564,643 4.615,644 4.779,645 4.934,646 5.017,647 5.088,648 6.927,649 0.686,650 365.37,651 3.466,652 5.017,653 5.878,654 6.76,655 7.631,656 8.514,657 9.388,658 10.271,659 11.146,660 12.029,661 7.1,666 1,668 1,670 1,675 6,680 6,682 12,692 1,697 4,699 42,700 15,701 2,702 31,704 46,705 19,706 12,707 6,708 6,709 4,710 5,711 7,714 1,721 16,722 3,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 8,738 2,739 8,743 3,747 0.6,748 5,759 2,760 3,762 1,763 1,766 1,770 2,777 3,785 27,789 3,790 2,791 4,801 11.9,804 1,806 4,808 12.5,809 7.617,810 5.75,811 2.385,812 3.284,813 1.41,814 1.034,815 4.144,816 11.285,817 3.714,818 4.304,819 4.864,820 5.417,821 5.919,822 6.16,823 6.543,824 6.944,825 7.247,826 7.521,827 0.875,828 40,829 9.956,831 4.364,832 7.815,833 18.729,835 15.493,837 2.315,838 62.5,841 1,842 153.024,843 118.445,844 52.807,846 69.144,849 118.445,850 222.169,851 52.807,853 33.846,854 66.334,855 50.617,856 87.701,857 25.441,858 129.482,860 153.024,861 171.252,862 69.144,865 153.024,866 69.144,869 50.631,870 90.377,871 30.244,873 153.024,874 121.952,875 118.445,878 153.024,879 52.112,880 66.334,881 36.022,882 85.93,883 153.024,884 121.952,885 118.445,887 0.586,888 0.343,889 0.19,890 0.098,891 24,892 9,893 0.065,894 3,895 2,896 1.167,897 4.107,898 236.279,899 0.167,900 24,901 128.382,904 16.471,905 6.792,906 3.335,908 121.952,909 10.918,914 4.245,916 36.022,917 393.421,918 40,922 12.211,923 1.69,924 4.327,925 0.366,926 43.244,927 47.033,928 0.313,929 0.679,930 0.808,931 0.921,932 0.947,933 0.956,934 4.97,935 1.534,936 5.855,937 4.352,938 4.489,939 4.99,940 2.598,941 6.65,942 4.383,943 6.169,944 1.393,945 7.397,946 4.214,947 4.007,948 4.771,949 0.623,950 7.445,951 3.868,952 7.476,953 1.291,954 9.032,955 3.529,956 6.071,957 7.142,958 2.828,959 10.535,960 5.869,961 8.817,962 1.079,963 10.721,964 2.998,965 6.415,966 7.716,967 1.178,968 12.144,969 6.173,970 10.187,971 0.701,972 12.444,973 2.434,974 7.918,975 9.562,976 3.236,977 14.706,978 7.627,979 11.578,980 0.477,981 14.191,982 1.623,983 8.65,984 10.507,985 1.72,986 16.658,987 8.313,988 12.984,989 0.02,990 15.954,991 1.163,992 9.915,993 12.122,994 3.745,995 19.02,996 9.535,997 3.01,998 -0.127,999 17.729,1000 0.055,1001 10.833,1002 13.257,1003 2.269,1004 21.123,1005 10.403,1006 2.934,1007 9.383,1008 19.514,1009 -0.357,1010 11.993,1011 14.757,1012 4.313,1013 23.405,1014 11.523,1015 2.872,1016 9.246,1017 21.305,1018 3.977,1019 12.998,1020 15.992,1021 2.823,1022 25.574,1023 12.479,1024 2.384,1025 9.079,1026 23.102,1027 3.921,1028 14.113,1029 17.432,1030 4.913,1031 27.823,1032 13.553,1033 2.199,1034 7.225,1035 24.903,1036 3.68,1037 15.158,1038 18.724,1039 3.377,1040 30.022,1041 14.552,1042 1.784,1043 6.54,1044 26.708,1045 2.999,1046 16.254,1047 20.131,1048 5.531,1049 32.257,1050 15.607,1051 1.618,1052 5.33,1053 28.516,1054 2.822,1055 17.32,1056 21.454,1057 3.928,1058 34.47,1059 16.627,1060 9604,1061 16742,1062 21.671,1063 28.858,1064 47.017,1065 48.574,1066 47.015,1067 46.529,1068 46.593,1069 59.29,1070 12.361,1071 134.344,1072 44.082,1073 5.32,1074 5.668,1075 5.91,1076 5.113,1077 5.01,1078 6.977,1079 2.783,1080 15.746,1081 4.902,1082 6.5,1083 1.517,1084 1.567,1085 1.517,1086 1.501,1087 1.503,1088 1.913,1089 0.399,1090 4.334,1091 1.422,1092 4.012,1093 4.034,1094 3.973,1095 3.905,1096 7.43,1097 3.916,1098 3.935,1099 3.947,1100 3.891,1101 3.833,1102 5.02,1103 3.843,1104 3.762,1105 3.793,1106 3.732,1107 3.556,1108 4.958,1109 3.596,1110 3.461,1111 3.508,1112 3.339,1113 3.254,1114 4.755,1115 3.265,1116 3.308,1117 3.338,1118 3.211,1119 3.06,1120 4.391,1121 3.095,1122 3.032,1123 3.09,1124 2.937,1125 2.842,1126 4.284,1127 2.854,1128 2.91,1129 2.959,1130 2.797,1131 2.746,1132 4.21,1133 2.748,1134 2.855,1135 2.896,1136 2.754,1137 2.678,1138 3.984,1139 2.683,1140 0.141,1141 0.118,1142 0.201,1143 0.128,1144 0.097,1145 4.376,1146 0.128,1147 3.668,1148 0.045,1149 6.222,1150 0.303,1151 3.973,1152 0.094,1153 3.01,1154 3.977,1155 1.392,1156 9.383,1157 2.902,1158 1.896,1159 1.879,1160 1.985,1161 2.03,1162 1.108,1163 2.014,1164 1.886,1165 1.87,1166 1.973,1167 1.969,1168 1.097,1169 1.97,1170 1.451,1171 1.422,1172 1.689,1173 1.711,1174 0.921,1175 1.694,1176 1.424,1177 1.383,1178 1.514,1179 1.612,1180 0.591,1181 1.574,1182 1.257,1183 1.187,1184 1.434,1185 1.53,1186 0.566,1187 1.51,1188 1.156,1189 1.124,1190 1.385,1191 1.513,1192 0.354,1193 1.481,1194 0.878,1195 0.833,1196 1.127,1197 1.111,1198 0.178,1199 1.11,1200 0.796,1201 0.772,1202 1.084,1203 1.026,1204 0.154,1205 1.026,1206 4.143,1208 5.476,1209 3.045,1210 6.993,1211 5.352,1212 8.592,1213 7.38,1214 10.235,1222 1.255,1223 5.785,1224 21.703,1231 28.799,1232 70.799,1233 153.806,1234 182.968,1235 208.477,1236 214.477,1237 216.477,1238 34.387,1239 8.001,1240 94.7,1241 94.7,1242 28,1243 12.564,1244 4,1245 3.322,1246 35.983,1247 114,1248 97,1249 0.153,1250 170.075,1251 306.85,1252 406.744,1253 37721,1255 18.217,1256 0.675,1257 0.524,1258 18.217,1259 14.151,1260 13.242,1261 0.427,1262 0.272,1263 8.229,1264 12.479,1265 8.144,1266 6.653,1267 13.242,1268 8.426,1269 12.16,1270 0.276,1271 0.137,1272 12.16,1273 6.04,1274 10.495,1275 0.178,1276 0.071,1277 10.495,1278 4.202,1279 9.094,1280 0.115,1281 0.037,1282 9.094,1283 2.946,1284 7.168,1285 0.075,1286 0.02,1287 7.168,1288 1.901,1289 0.245,1290 84.889,1291 0.215,1292 26.294,1293 0.406,1294 150,1295 522.989,1296 172.935,1297 482.253,1298 664.58,1299 456,1300 178,1301 494.778,1302 201.187,1303 490.59,1304 726.99,1305 462,1306 6.77} {0 CHEMBL1802358,1 1.639,2 10.087,3 2.814,4 7.921,5 86.007,6 8.537,7 0.462,8 3.741,9 3.833,10 3.427,11 3.284,12 4.94,13 3.311,14 4.225,15 4.336,16 3.789,17 3.645,18 5.479,19 3.657,20 4.357,21 4.528,22 3.671,23 3.653,24 5.546,25 3.626,26 4.301,27 4.499,28 3.513,29 3.533,30 5.399,31 3.486,32 4.211,33 4.417,34 3.487,35 3.434,36 5.369,37 3.419,38 4.133,39 4.31,40 3.472,41 3.364,42 5.394,43 3.367,44 4.038,45 4.205,46 3.382,47 3.228,48 5.378,49 3.235,50 3.884,51 4.056,52 3.184,53 3.1,54 5.166,55 3.081,56 0.091,57 0.528,58 5.508,59 2.957,60 6.738,61 3.118,62 0.384,63 0.832,64 10.543,65 4.992,66 20.857,67 5.31,68 0.329,69 0.936,70 13.959,71 5.675,72 30.024,73 6.6,74 0.328,75 0.866,76 14.608,77 5.681,78 28.189,79 7.027,80 0.31,81 0.813,82 13.761,83 4.729,84 28.119,85 5.762,86 0.313,87 0.739,88 11.809,89 4.25,90 29.091,91 4.827,92 0.413,93 0.636,94 11.067,95 3.953,96 38.388,97 4.472,98 0.372,99 0.532,100 9.692,101 3.618,102 33.158,103 4.224,104 2,105 36,106 0.294,107 0.615,108 0.733,109 0.852,110 0.876,111 0.876,112 3.188,113 0.821,114 -3.77,115 -3.73,116 -3.55,119 47.2,125 1,130 1,132 1,133 8,134 1,135 3,147 1,148 1,159 8,161 1,162 3,164 3,165 1,166 2,168 8,171 1,172 6,176 3,178 4,182 8,185 1,187 5,194 6,199 5,205 1,206 4,211 4,213 2,216 2,217 2,220 1,222 1,224 4,228 1,229 1,232 2,237 7,245 1,250 7,255 727,256 15.894,257 15.894,258 15.894,259 15.894,260 15.894,261 13.913,262 19.164,263 9.508,264 16.191,265 12.899,266 12.899,267 12.899,268 12.899,269 12.899,270 9.82,271 25.265,272 4.599,273 13.387,274 3.531,275 1.737,276 1.077,277 0.41,278 0.278,279 0.278,280 3.89,283 1,284 1,285 520,286 2.345,288 115.817,289 136.078,291 94.376,295 1.743,296 21.341,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 50.5,307 232,308 4.371,309 3.667,310 6.22,311 3.968,312 3.003,313 3.975,314 1.392,315 9.369,316 2.9,317 4.238,318 3.305,319 6.148,320 3.848,321 2.898,322 3.701,323 1.305,324 9.109,325 2.747,326 3.912,327 2.924,328 5.494,329 3.508,330 2.536,331 3.438,332 0.964,333 7.396,334 2.461,335 3.597,336 2.49,337 5.233,338 3.221,339 2.243,340 2.91,341 0.532,342 6.599,343 2.183,344 3.317,345 2.39,346 4.866,347 2.84,348 1.876,349 2.493,350 0.268,351 5.42,352 1.794,353 2.887,354 1.992,355 4.369,356 2.477,357 1.534,358 2.025,360 4.215,361 1.439,362 2.86,363 1.87,364 4.129,365 2.37,366 1.388,367 1.989,369 3.531,370 1.361,371 2.775,372 1.635,373 3.584,374 2.273,375 1.291,376 1.713,378 3.01,379 1.255,380 2.5,381 1.464,382 3.448,383 2.071,384 1.079,385 1.5,386 2.433,387 1.068,388 2.194,389 1,390 3.247,391 2,392 1,393 1.17,394 2.136,395 1,396 1.696,397 0.796,398 3.088,399 1.414,400 0.477,401 0.562,402 1.163,403 0.443,404 1.362,405 0.629,406 2.885,407 0.922,408 -0.025,409 -0.031,411 -0.068,412 -0.023,413 1.121,414 0.263,415 2.777,416 0.821,417 -0.147,418 -0.176,420 -0.403,421 -0.142,422 0.839,423 -0.096,424 2.288,425 0.383,426 -0.643,427 -0.931,429 -1.586,430 -0.647,431 0.592,432 -0.578,433 1.912,434 0.138,435 -0.839,436 -1.083,438 -2.093,439 -0.813,440 10.7,441 0.465,442 0.482,443 0.021,444 33.75,445 1.467,446 18,447 0.783,448 15.75,449 0.685,450 13.273,451 0.577,452 23.5,453 0.653,454 22.819,455 0.992,456 7.01,457 0.305,458 4.266,459 0.185,460 0.031,462 0.327,466 0.861,467 1.196,468 0.664,469 0.98,470 0.655,471 0.806,472 0.882,473 0.974,474 0.849,475 0.972,476 0.665,477 0.931,478 0.966,479 1.143,480 1.061,481 1.093,482 0.956,483 1.088,484 0.874,485 1.174,486 1.007,487 1.084,488 0.811,489 1.08,490 1.051,491 1.035,492 0.93,493 0.84,494 1.089,495 0.83,496 1.188,497 1.088,498 1.017,499 0.964,500 1.543,501 0.935,502 1.125,503 0.956,504 0.999,505 0.944,506 1.8,507 0.935,508 0.97,509 0.837,510 0.993,511 0.915,512 1.525,513 0.954,514 4.5,515 0.062,516 1.778,517 1.611,518 0.764,519 0.581,520 0.414,521 0.272,522 0.142,523 0.045,524 6516,525 18897,526 2.196,527 36.1,529 9,530 2,532 2,536 1.653,537 2.123,538 3.326,539 0.321,540 1,541 1,543 1,545 59.015,546 1.639,547 3.433,548 4.093,549 4.76,550 4.892,551 4.892,552 2.773,553 4.143,554 4.496,555 3.487,556 882.249,557 7.719,558 10174.2,559 1,560 1,561 1,562 1,563 186.117,564 1.121,565 4.483,566 0.173,567 0.005,568 0.049,569 0.052,570 0.029,571 0.022,572 0.017,573 0.012,574 0.008,575 0.003,576 0.372,577 0.5,578 1,579 0.393,580 108.615,581 -0.099,582 -0.115,583 0.042,584 -0.047,585 -0.109,586 0.021,587 0.14,588 0.068,589 -0.038,590 -0.034,591 0.04,592 -0.084,593 -0.096,594 -0.121,595 -0.148,596 -0.148,597 -0.036,598 -0.154,599 -0.031,600 -0.2,601 -0.023,602 -0.112,603 0.009,604 -0.08,605 -0.156,607 0.071,608 0.097,609 -0.045,610 0.141,611 -0.136,612 -0.049,613 -0.051,614 -0.042,615 -0.095,616 -0.021,617 0.126,618 0.04,619 0.006,620 -0.006,621 -0.009,622 -0.019,623 0.217,624 0.118,625 0.02,626 0.056,627 0.033,628 0.004,629 1.916,630 5.023,631 0.87,632 19.384,633 1.02,634 1.117,635 2.536,636 6.432,637 0.7,638 3.296,639 3.611,640 3.871,641 4.143,642 4.277,643 4.304,644 4.466,645 4.595,646 4.595,647 4.673,648 6.066,649 0.69,650 307.33,651 3.296,652 4.828,653 5.673,654 6.544,655 7.402,656 8.276,657 9.139,658 10.014,659 10.881,660 11.757,661 8.3,666 1,668 1,670 1,675 8,680 4,682 12,692 1,697 2,699 36,700 15,701 2,702 26,704 39,705 17,706 12,707 4,708 8,709 4,710 4,711 5,714 1,721 16,722 1,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 13,737 6,738 2,739 6,743 3,747 0.75,748 3,759 2,760 2,762 1,766 1,770 2,777 3,785 23,789 1,790 2,791 2,801 8.3,804 1,806 2,808 10.833,809 6.45,810 4.972,811 1.989,812 3.11,813 1.43,814 1.033,815 3.575,816 10.346,817 3.584,818 4.159,819 4.7,820 5.244,821 5.725,822 5.907,823 6.317,824 6.734,825 7.008,826 7.29,827 0.857,828 31,829 8.454,831 3.643,832 7.812,833 15.892,835 12.93,837 2.312,838 53.167,842 129.482,843 117.726,844 52.807,846 47.145,849 117.726,850 176.627,851 52.807,853 24.661,854 85.286,855 50.617,856 55.214,857 25.441,858 105.94,860 129.482,861 170.533,862 47.145,865 129.482,866 47.145,869 41.447,870 98.843,871 30.244,873 129.482,874 99.952,875 117.726,878 129.482,879 32.44,880 85.286,881 36.022,882 63.93,883 129.482,884 99.952,885 117.726,887 0.579,888 0.333,889 0.183,890 0.093,891 19,892 7,893 0.077,894 3,895 1,896 1.1,897 3.723,898 183.794,899 0.1,900 20,901 100.042,904 14,905 5.874,906 2.971,908 99.952,909 15.015,914 3.058,916 36.022,917 347.16,918 35,922 12.023,923 1.705,924 4.287,925 0.497,926 36.705,927 40.199,928 0.317,929 0.664,930 0.792,931 0.921,932 0.946,933 0.946,934 4.812,935 1.291,936 5.638,937 3.531,938 4.29,939 4.844,940 2.349,941 6.409,942 4.218,943 6.008,944 1.079,945 7.163,946 3.01,947 3.761,948 4.511,949 0.623,950 7.154,951 3.644,952 7.303,953 1,954 8.782,955 2.433,956 5.844,957 6.972,958 2.69,959 10.244,960 5.692,961 8.632,962 0.477,963 10.457,964 2.136,965 6.155,966 7.435,967 1.178,968 11.824,969 5.948,970 9.991,971 -0.025,972 12.167,973 1.163,974 7.667,975 9.355,976 3.17,977 14.379,978 7.436,979 11.37,980 -0.147,981 13.901,982 -0.068,983 8.376,984 10.204,985 1.72,986 16.313,987 8.086,988 12.765,989 -0.643,990 15.653,991 -0.403,992 9.643,993 11.87,994 3.717,995 18.667,996 9.329,997 3.003,998 -0.839,999 17.418,1000 -1.586,1001 10.545,1002 12.929,1003 2.269,1004 20.759,1005 10.174,1006 2.898,1007 9.369,1008 19.193,1009 -2.093,1010 11.704,1011 14.461,1012 4.301,1013 23.035,1014 11.305,1015 2.536,1016 9.109,1017 20.976,1018 3.975,1019 12.698,1020 15.641,1021 2.823,1022 25.198,1023 12.248,1024 2.243,1025 7.396,1026 22.765,1027 3.701,1028 13.811,1029 17.098,1030 4.908,1031 27.443,1032 13.329,1033 1.876,1034 6.599,1035 24.559,1036 3.438,1037 14.851,1038 18.35,1039 3.377,1040 29.639,1041 14.321,1042 1.534,1043 5.42,1044 26.358,1045 2.91,1046 15.945,1047 19.765,1048 5.53,1049 31.871,1050 15.381,1051 1.388,1052 4.215,1053 28.16,1054 2.493,1055 17.006,1056 21.061,1057 3.928,1058 34.082,1059 16.398,1060 6010,1061 10376,1062 18.087,1063 25.188,1064 39.11,1065 40.256,1066 38.974,1067 38.656,1068 38.649,1069 50.954,1070 8.921,1071 108.763,1072 37.304,1073 5.271,1074 5.667,1075 6.022,1076 5.012,1077 5.003,1078 6.975,1079 2.783,1080 15.711,1081 4.9,1082 5.786,1083 1.504,1084 1.548,1085 1.499,1086 1.487,1087 1.487,1088 1.96,1089 0.343,1090 4.183,1091 1.435,1092 4.003,1093 4.026,1094 3.963,1095 3.902,1096 7.43,1097 3.911,1098 3.899,1099 3.928,1100 3.84,1101 3.819,1102 5.015,1103 3.817,1104 3.744,1105 3.777,1106 3.706,1107 3.553,1108 4.845,1109 3.59,1110 3.317,1111 3.347,1112 3.227,1113 3.069,1114 4.667,1115 3.105,1116 3.073,1117 3.133,1118 2.984,1119 2.873,1120 4.346,1121 2.888,1122 2.906,1123 2.959,1124 2.794,1125 2.743,1126 3.99,1127 2.746,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.857,1133 2.715,1134 2.725,1135 2.793,1136 2.598,1137 2.552,1138 3.674,1139 2.547,1140 0.168,1141 0.141,1142 0.239,1143 0.153,1144 0.115,1145 4.371,1146 0.153,1147 3.667,1148 0.054,1149 6.22,1150 0.36,1151 3.968,1152 0.112,1153 3.003,1154 3.975,1155 1.392,1156 9.369,1157 2.9,1158 1.895,1159 1.877,1160 2.011,1161 1.992,1162 1.098,1163 1.999,1164 1.883,1165 1.853,1166 1.974,1167 1.966,1168 1.062,1169 1.969,1170 1.436,1171 1.419,1172 1.515,1173 1.62,1174 0.591,1175 1.574,1176 1.298,1177 1.227,1178 1.434,1179 1.595,1180 0.566,1181 1.561,1182 1.156,1183 1.124,1184 1.418,1185 1.516,1186 0.384,1187 1.482,1188 0.886,1189 0.826,1190 1.181,1191 1.112,1192 0.218,1193 1.107,1194 0.869,1195 0.821,1196 1.097,1197 1.062,1198 0.155,1199 1.107,1200 0.794,1201 0.738,1202 1.069,1203 0.988,1204 0.104,1205 1.019,1206 3.97,1208 5.283,1209 3.045,1210 6.774,1211 5.352,1212 8.344,1213 7.38,1214 9.955,1222 0.221,1223 5.762,1224 10.599,1231 24.843,1232 59.015,1233 123.588,1234 147.362,1235 171.362,1236 176.117,1237 176.117,1238 27.411,1239 7.236,1240 76.24,1241 76.24,1242 22,1243 12.298,1244 4,1245 3.322,1246 32.009,1247 83,1248 78,1249 0.186,1250 150.292,1251 267.03,1252 358.472,1253 13813,1255 15.648,1256 0.68,1257 0.525,1258 15.648,1259 12.075,1260 11.276,1261 0.434,1262 0.274,1263 6.984,1264 10.775,1265 6.881,1266 5.691,1267 11.276,1268 7.113,1269 10.18,1270 0.283,1271 0.14,1272 10.18,1273 5.048,1274 8.572,1275 0.182,1276 0.073,1277 8.572,1278 3.433,1279 7.332,1280 0.118,1281 0.038,1282 7.332,1283 2.347,1284 5.534,1285 0.078,1286 0.02,1287 5.534,1288 1.449,1289 0.294,1290 71.275,1291 0.235,1292 22.848,1293 0.502,1294 124,1295 405.517,1296 139.849,1297 384.828,1298 530.04,1299 362,1300 145,1301 394.869,1302 160.657,1303 397.129,1304 582.76,1305 373,1306 7.398} {0 CHEMBL1802389,1 1.658,2 10.148,3 3.453,4 11.925,5 109.061,6 9.821,7 0.733,8 3.884,9 4,10 3.686,11 3.507,12 5.087,13 3.49,14 4.343,15 4.484,16 4.113,17 3.903,18 5.566,19 3.864,20 4.562,21 4.727,22 4.14,23 4.026,24 5.704,25 3.961,26 4.583,27 4.768,28 4.123,29 4.025,30 5.689,31 3.947,32 4.618,33 4.812,34 4.222,35 4.011,36 5.753,37 3.938,38 4.594,39 4.793,40 4.092,41 3.949,42 5.728,43 3.867,44 4.529,45 4.752,46 4.038,47 3.871,48 5.601,49 3.761,50 4.435,51 4.669,52 4.063,53 3.719,54 5.514,55 3.591,56 0.064,57 0.652,58 4.988,59 3.261,60 9.318,61 3.761,62 0.188,63 1.015,64 10.241,65 5.817,66 20.823,67 7.091,68 0.266,69 1.204,70 22.604,71 7.626,72 35.82,73 8.429,74 0.191,75 1.236,76 19.893,77 8.057,78 23.71,79 9.866,80 0.235,81 1.255,82 20.134,83 8.218,84 33.979,85 10.035,86 0.303,87 1.247,88 26.486,89 8.102,90 37.068,91 9.639,92 0.26,93 1.169,94 18.873,95 7.608,96 30.852,97 9.436,98 0.251,99 0.997,100 26.54,101 7.574,102 32.061,103 9.292,104 19,105 43,106 0.283,107 0.658,108 0.806,109 0.868,110 0.868,111 0.868,112 3.341,113 0.908,114 -4.24,115 -4.18,116 -3.95,117 1,119 46.5,120 1,133 7,134 4,135 2,136 1,137 1,141 1,142 1,143 1,147 1,152 1,153 1,154 1,159 8,161 1,162 4,163 2,164 3,166 6,168 12,172 3,176 4,178 11,182 8,185 1,187 4,190 8,192 2,194 8,199 5,202 8,204 2,206 4,209 1,210 1,211 5,212 1,213 8,215 3,217 2,220 2,222 6,224 7,226 3,229 2,234 3,237 6,239 2,241 2,242 3,246 2,247 1,249 1,250 5,255 1162,256 18.102,257 18.102,258 18.102,259 18.102,260 18.102,261 15.338,262 11.646,263 10.559,264 18.493,265 14.829,266 14.829,267 14.829,268 14.829,269 14.829,270 10.69,271 12.934,272 5.052,273 15.527,274 3.769,275 1.574,276 0.707,277 0.343,278 0.343,279 0.343,280 4.036,284 1,285 594,286 2.915,288 51.623,289 229.587,291 98.147,295 1.572,296 21.263,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 57.25,307 274,308 4.66,309 3.533,310 6.878,311 4.235,312 3.252,313 4.581,314 1.907,315 11.521,316 3.196,317 4.327,318 3.27,319 6.36,320 3.887,321 2.907,322 4.053,323 0.149,324 9.692,325 2.851,326 3.974,327 2.976,328 5.622,329 3.567,330 2.599,331 3.538,333 7.498,334 2.512,335 3.662,336 2.695,337 5.391,338 3.276,339 2.317,340 3.053,342 6.941,343 2.222,344 3.62,345 2.54,346 5.04,347 3.123,348 2.232,349 2.989,351 6.016,352 1.988,353 3.419,354 2.313,355 4.954,356 2.956,357 2.013,358 2.748,360 5.754,361 1.921,362 3.312,363 2.055,364 4.639,365 2.87,366 1.88,367 2.535,369 4.724,370 1.694,371 2.929,372 1.51,373 4.404,374 2.443,375 1.459,376 2.116,378 4.235,379 1.433,380 2.731,381 1.292,382 4.148,383 2.223,384 1.257,385 1.835,386 3.416,387 1.207,388 2.557,389 1.101,390 3.817,391 2,392 1.066,393 1.585,394 2.738,395 1,396 2.5,397 1,398 3.414,399 1.998,400 1,401 1.5,402 2.275,403 0.98,404 2.066,405 0.701,406 3.234,407 1.538,408 0.598,409 0.867,411 1.474,412 0.542,413 1.434,414 0.643,415 2.836,416 1.08,417 0.122,418 0.151,420 0.294,421 0.115,422 1.103,423 0.217,424 2.515,425 0.699,426 -0.24,427 -0.3,429 -0.601,430 -0.179,431 0.984,432 0.114,433 2.376,434 0.482,435 -0.355,436 -0.447,438 -0.852,439 -0.261,440 13.667,441 0.506,442 0.75,443 0.028,444 40,445 1.481,446 22.5,447 0.833,448 17.5,449 0.648,450 20.275,451 0.751,452 26.533,453 0.617,454 28.388,455 1.051,456 7.747,457 0.287,458 5.261,459 0.195,460 0.188,462 0.366,466 0.865,467 1.084,468 0.486,469 0.697,470 0.764,471 0.716,472 0.543,473 0.951,474 0.563,475 0.772,476 0.474,477 0.807,478 1.283,479 1.009,480 0.997,481 0.934,482 1.202,483 0.968,484 0.757,485 1.067,486 0.727,487 0.952,488 0.609,489 1.002,490 0.916,491 1.122,492 0.648,493 0.895,494 0.897,495 0.932,496 0.953,497 1.099,498 0.948,499 1.051,500 0.915,501 1.058,502 0.816,503 0.974,504 0.729,505 0.879,506 0.679,507 1.009,508 0.838,509 1.08,510 1.168,511 1.111,512 0.766,513 1.058,514 6,515 0.161,516 3.111,517 1.819,518 1.609,519 1.049,520 0.752,521 0.406,522 0.313,523 0.173,524 8385,525 26574,526 2.097,527 37.2,529 7,530 1,531 1,532 4,533 3,536 1.705,537 1.952,538 3.295,539 1.698,541 1,545 71.281,546 1.658,547 3.852,548 4.719,549 5.083,550 5.083,551 5.083,552 2.756,553 4.385,554 4.721,555 3.472,556 1218.82,557 8.221,558 15208,560 1,562 1,563 233.329,564 1.447,565 4.681,566 0.2,567 0.012,568 0.072,569 0.042,570 0.038,571 0.025,572 0.02,573 0.013,574 0.012,575 0.009,576 0.443,577 0.17,578 1,579 0.936,580 132.224,581 -0.142,582 0.017,583 -0.006,584 0.07,585 -0.16,586 0.072,587 0.21,588 0.1,589 0.033,590 0.057,591 0.163,592 0.047,593 -0.287,594 0.012,595 -0.11,596 -0.014,597 -0.221,598 -0.071,599 -0.028,600 -0.072,601 -0.022,602 -0.059,603 0.004,604 -0.062,605 -0.036,606 -0.141,607 0.058,608 0.007,609 -0.024,610 0.02,611 -0.041,612 -0.09,613 -0.059,614 -0.117,615 -0.077,616 -0.111,617 -0.029,618 0.033,619 0.036,620 0.036,621 -0.041,622 -0.034,623 0.046,624 -0.136,625 0.062,626 -0.045,627 0.031,628 -0.004,629 1.774,630 4.215,631 0.778,632 24.195,633 1.009,634 1.117,635 3.014,636 9.084,637 0.73,638 3.434,639 3.784,640 4.06,641 4.382,642 4.654,643 4.771,644 4.927,645 5.069,646 5.1,647 5.176,648 6.049,649 0.698,650 422.31,651 3.434,652 4.99,653 5.849,654 6.746,655 7.63,656 8.534,657 9.429,658 10.336,659 11.237,660 12.146,661 11.6,665 1,668 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,698 1,699 43,700 23,701 2,702 30,703 1,704 46,705 20,706 18,707 5,708 7,710 4,711 5,715 1,721 19,722 1,724 1,728 1,731 1,733 1,736 16,737 5,738 4,739 7,740 1,743 5,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,766 1,777 3,780 1,781 1,785 27,786 1,790 1,800 1,801 2.3,804 1,808 13.833,809 8.043,810 5.806,811 2.377,812 4.562,813 1.592,814 1.048,815 4.685,816 12.27,817 3.761,818 4.434,819 5.063,820 5.74,821 6.348,822 6.742,823 7.23,824 7.708,825 8.024,826 8.435,827 0.857,828 43,829 9.89,831 4.214,832 7.775,833 18.718,835 15.339,837 2.275,838 61.417,841 1,842 141.253,843 122.7,844 147.219,846 25.145,849 168.654,850 166.398,851 101.265,852 8.825,853 18.011,854 108.278,855 75.192,856 46.531,857 15.814,858 117.711,859 45.954,860 141.253,861 223.964,862 25.145,864 45.954,865 141.253,866 25.145,869 57.325,870 133.069,871 33.571,872 45.954,873 141.253,874 126.409,875 168.654,878 141.253,879 29.446,880 93.254,881 80.75,882 91.613,883 141.253,884 126.409,885 168.654,887 0.587,888 0.33,889 0.187,890 0.111,891 22,892 10,893 0.065,894 3,895 1,896 1.095,897 3.807,898 240.568,899 0.095,900 21,901 121.627,904 17.712,905 7.141,906 3.589,907 2.052,908 109.624,909 17.237,910 8.676,911 3.273,914 5.426,916 67.693,917 436.317,918 42,922 11.215,925 -0.108,926 43.367,927 48.034,928 0.305,929 0.71,930 0.87,931 0.937,932 0.937,933 0.937,934 4.994,935 1.459,936 5.849,937 4.724,938 4.466,939 5.121,940 1.953,941 6.681,942 4.386,943 6.235,944 1.257,945 7.418,946 4.235,947 4.111,948 4.997,949 1.593,950 7.618,951 3.986,952 7.559,953 1.066,954 9.084,955 3.416,956 6.075,957 7.401,958 2.904,959 10.742,960 5.943,961 8.919,962 1,963 10.809,964 2.738,965 6.509,966 8.089,967 3.032,968 12.54,969 6.356,970 10.308,971 0.598,972 12.574,973 2.275,974 7.973,975 9.976,976 4.037,977 15.2,978 7.809,979 11.721,980 0.122,981 14.369,982 1.474,983 8.781,984 11.068,985 4.409,986 17.365,987 8.607,988 13.151,989 -0.24,990 16.186,991 0.294,992 10.047,993 12.734,994 5.25,995 19.87,996 9.86,997 3.252,998 -0.355,999 18.022,1000 -0.601,1001 11.039,1002 14.034,1003 5.75,1004 22.189,1005 10.843,1006 2.907,1007 11.521,1008 19.872,1009 -0.852,1010 12.228,1011 15.603,1012 6.501,1013 24.642,1014 12.018,1015 2.599,1016 9.692,1017 21.734,1018 4.581,1019 13.308,1020 17.008,1021 7.068,1022 27.025,1023 13.087,1024 2.317,1025 7.498,1026 23.606,1027 4.053,1028 14.472,1029 18.537,1030 7.771,1031 29.463,1032 14.236,1033 2.232,1034 6.941,1035 25.486,1036 3.538,1037 15.594,1038 19.994,1039 8.374,1040 31.875,1041 15.345,1042 2.013,1043 6.016,1044 27.372,1045 3.053,1046 16.752,1047 21.508,1048 9.051,1049 34.309,1050 16.488,1051 1.88,1052 5.754,1053 29.264,1054 2.989,1055 17.896,1056 22.992,1057 9.674,1058 36.734,1059 17.617,1060 8069,1061 14469,1062 19.997,1063 31.404,1064 45.981,1065 46.313,1066 47.001,1067 45.604,1068 45.402,1069 63.1,1070 4.112,1071 133.156,1072 43.318,1073 5.409,1074 5.533,1075 6.292,1076 5.307,1077 5.252,1078 7.581,1079 3.306,1080 19.071,1081 5.196,1082 13.719,1083 1.533,1084 1.544,1085 1.567,1086 1.52,1087 1.513,1088 2.103,1089 0.137,1090 4.439,1091 1.444,1092 4.15,1093 4.18,1094 6.88,1095 4.079,1096 7.43,1097 4.081,1098 3.951,1099 3.982,1100 4.093,1101 3.882,1102 5.235,1103 3.881,1104 3.725,1105 3.779,1106 3.893,1107 3.575,1108 4.96,1109 3.591,1110 3.501,1111 3.548,1112 3.674,1113 3.308,1114 4.759,1115 3.307,1116 3.388,1117 3.436,1118 3.407,1119 3.265,1120 4.516,1121 3.268,1122 3.061,1123 3.149,1124 3.166,1125 2.869,1126 4.307,1127 2.876,1128 2.942,1129 3,1130 2.944,1131 2.832,1132 3.956,1133 2.822,1134 2.854,1135 2.925,1136 2.802,1137 2.735,1138 3.931,1139 2.715,1140 0.155,1141 0.118,1142 0.229,1143 0.141,1144 0.108,1145 4.66,1146 0.153,1147 3.533,1148 0.064,1149 6.878,1150 0.384,1151 4.235,1152 0.107,1153 3.252,1154 4.581,1155 1.907,1156 11.521,1157 3.196,1158 1.983,1159 1.963,1160 2.05,1161 2.067,1162 1.198,1163 2.063,1164 1.905,1165 1.883,1166 1.97,1167 1.984,1168 1.115,1169 1.99,1170 1.694,1171 1.651,1172 1.786,1173 1.88,1174 0.834,1175 1.856,1176 1.442,1177 1.39,1178 1.69,1179 1.68,1180 0.71,1181 1.681,1182 1.384,1183 1.321,1184 1.535,1185 1.622,1186 0.533,1187 1.606,1188 1.021,1189 0.975,1190 1.242,1191 1.286,1192 0.252,1193 1.288,1194 0.97,1195 0.909,1196 1.181,1197 1.12,1198 0.218,1199 1.136,1200 0.886,1201 0.821,1202 1.132,1203 1.062,1204 0.137,1205 1.107,1206 4.111,1208 5.451,1209 2.398,1210 6.98,1211 4.727,1212 8.6,1213 6.843,1214 10.272,1215 3.523,1216 1.481,1220 5.875,1223 2.765,1231 30.008,1232 71.281,1233 165.639,1234 202.923,1235 218.574,1236 218.574,1237 218.574,1238 37.217,1239 7.708,1240 96.69,1241 96.69,1242 23,1243 12.664,1244 4.585,1245 3.7,1246 40.05,1247 94,1248 112,1249 0.206,1250 190.724,1251 315.55,1252 457.126,1253 23556,1254 2.3,1255 18.966,1256 0.702,1257 0.594,1258 19.966,1259 16.04,1260 13.008,1261 0.434,1262 0.303,1263 8.245,1264 12.053,1265 7.983,1266 6.619,1267 13.585,1268 9.079,1269 12.24,1270 0.285,1271 0.164,1272 13.056,1273 7.057,1274 9.8,1275 0.172,1276 0.083,1277 10.324,1278 4.716,1279 8.567,1280 0.108,1281 0.043,1282 9.006,1283 3.398,1284 7.269,1285 0.07,1286 0.024,1287 7.85,1288 2.448,1289 0.316,1290 89.011,1291 0.224,1292 25.576,1293 0.584,1294 146,1295 413.658,1296 222.827,1297 449.054,1298 611.05,1299 418,1300 173,1301 433.722,1302 210.919,1303 456.26,1304 665.17,1305 430,1306 5.382} {0 CHEMBL1802390,1 1.658,2 10.556,3 3.453,4 11.925,5 109.061,6 9.821,7 0.733,8 3.884,9 4,10 3.686,11 3.507,12 5.087,13 3.49,14 4.343,15 4.484,16 4.113,17 3.903,18 5.566,19 3.864,20 4.562,21 4.727,22 4.14,23 4.026,24 5.703,25 3.961,26 4.584,27 4.767,28 4.141,29 4.016,30 5.696,31 3.942,32 4.617,33 4.812,34 4.112,35 4.005,36 5.749,37 3.928,38 4.589,39 4.797,40 3.944,41 3.923,42 5.705,43 3.845,44 4.527,45 4.753,46 3.937,47 3.831,48 5.605,49 3.731,50 4.429,51 4.673,52 3.888,53 3.698,54 5.46,55 3.568,56 0.064,57 0.652,58 4.988,59 3.261,60 9.318,61 3.761,62 0.188,63 1.015,64 10.241,65 5.817,66 20.823,67 7.091,68 0.266,69 1.204,70 22.604,71 7.626,72 35.783,73 8.429,74 0.205,75 1.235,76 20.742,77 7.949,78 23.788,79 9.829,80 0.227,81 1.257,82 22.098,83 8.378,84 34.126,85 10.093,86 0.282,87 1.253,88 20.964,89 7.804,90 36.712,91 9.561,92 0.273,93 1.17,94 18.793,95 7.325,96 31.253,97 9.351,98 0.216,99 1.004,100 20.169,101 7.385,102 31.379,103 9.253,104 19,105 43,106 0.283,107 0.658,108 0.806,109 0.868,110 0.868,111 0.868,112 3.341,113 0.908,114 -4.24,115 -4.18,116 -3.95,117 1,119 46.5,120 1,133 7,134 4,135 2,136 1,137 1,141 1,142 1,143 1,147 1,152 1,153 1,154 1,159 8,161 1,162 4,163 2,164 3,166 6,168 13,172 3,176 3,178 10,182 8,185 1,187 6,190 7,192 2,194 9,199 4,202 10,204 2,206 2,209 1,210 1,211 5,212 1,213 7,215 3,217 4,220 2,222 7,224 8,226 4,234 1,237 5,241 2,242 4,246 2,247 2,249 1,250 3,252 1,255 1169,256 18.102,257 18.102,258 18.102,259 18.102,260 18.102,261 15.338,262 11.646,263 10.557,264 18.493,265 14.829,266 14.829,267 14.829,268 14.829,269 14.829,270 10.69,271 12.934,272 5.048,273 15.527,274 3.769,275 1.574,276 0.707,277 0.343,278 0.343,279 0.343,280 4.036,284 1,285 617,286 2.915,288 51.623,289 229.959,291 98.147,295 1.613,296 21.178,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 57.25,307 285,308 4.658,309 3.533,310 6.876,311 4.233,312 3.25,313 4.578,314 1.907,315 11.509,316 3.195,317 4.329,318 3.264,319 6.357,320 3.887,321 2.907,322 4.055,323 0.149,324 9.682,325 2.85,326 3.977,327 2.982,328 5.636,329 3.569,330 2.601,331 3.542,333 7.535,334 2.512,335 3.683,336 2.712,337 5.399,338 3.288,339 2.333,340 3.109,342 7.004,343 2.225,344 3.638,345 2.536,346 5.095,347 3.153,348 2.255,349 2.989,351 6.167,352 2.002,353 3.38,354 2.313,355 4.884,356 2.946,357 1.965,358 2.637,360 5.465,361 1.924,362 3.247,363 2.003,364 4.59,365 2.783,366 1.834,367 2.495,369 4.674,370 1.628,371 2.981,372 1.522,373 4.403,374 2.474,375 1.498,376 2.199,378 4.23,379 1.455,380 2.772,381 1.376,382 4.191,383 2.277,384 1.309,385 1.89,386 3.575,387 1.248,388 2.545,389 1.07,390 3.832,391 2,392 1.05,393 1.567,394 2.759,395 1,396 2.5,397 1,398 3.414,399 1.987,400 1,401 1.5,402 2.275,403 0.974,404 2.044,405 0.665,406 3.219,407 1.515,408 0.569,409 0.832,411 1.389,412 0.524,413 1.434,414 0.629,415 2.839,416 1.081,417 0.123,418 0.152,420 0.296,421 0.116,422 1.093,423 0.227,424 2.518,425 0.697,426 -0.246,427 -0.306,429 -0.618,430 -0.187,431 0.959,432 0.118,433 2.376,434 0.45,435 -0.376,436 -0.471,438 -0.918,439 -0.261,440 13.667,441 0.506,442 0.75,443 0.028,444 40,445 1.481,446 22.5,447 0.833,448 17.5,449 0.648,450 20.127,451 0.745,452 26.533,453 0.617,454 28.402,455 1.052,456 7.747,457 0.287,458 5.261,459 0.195,460 0.188,462 0.366,466 0.865,467 1.084,468 0.486,469 0.697,470 0.764,471 0.716,472 0.543,473 0.951,474 0.563,475 0.772,476 0.474,477 0.807,478 1.283,479 1.009,480 0.997,481 0.934,482 1.204,483 0.968,484 0.706,485 1.102,486 0.716,487 1.001,488 0.591,489 1.022,490 0.983,491 1.113,492 0.716,493 0.926,494 0.92,495 0.973,496 0.95,497 1.07,498 0.591,499 0.907,500 0.922,501 1.012,502 0.743,503 1.028,504 0.555,505 0.922,506 0.649,507 1.051,508 0.893,509 1.005,510 0.767,511 0.888,512 0.842,513 0.981,514 6,515 0.14,516 3.111,517 1.944,518 1.609,519 1.049,520 0.791,521 0.37,522 0.354,523 0.218,524 8461,525 27078,526 2.097,527 37.2,529 7,530 1,531 1,532 4,533 3,536 1.704,537 1.952,538 3.331,539 1.698,541 1,545 71.281,546 1.658,547 3.852,548 4.719,549 5.083,550 5.083,551 5.083,552 2.863,553 4.385,554 4.72,555 3.502,556 1229.27,557 8.216,558 15339.2,560 1,562 1,563 233.329,564 1.447,565 4.681,566 0.2,567 0.009,568 0.072,569 0.045,570 0.038,571 0.026,572 0.021,573 0.012,574 0.014,575 0.01,576 0.449,577 0.17,578 1,579 0.936,580 132.453,581 -0.142,582 0.017,583 -0.006,584 0.07,585 -0.16,586 0.072,587 0.21,588 0.1,589 0.033,590 0.057,591 0.163,592 0.047,593 -0.287,594 0.012,595 -0.11,596 -0.014,597 -0.224,598 -0.071,599 0.025,600 -0.108,601 -0.011,602 -0.109,603 0.022,604 -0.084,605 -0.105,606 -0.131,607 -0.012,608 -0.025,609 -0.046,610 -0.022,611 -0.069,612 -0.057,613 -0.034,614 -0.056,615 -0.087,616 -0.078,617 0.029,618 -0.021,619 0.035,620 -0.054,621 -0.011,622 -0.085,623 -0.046,624 -0.056,625 0.079,626 0.083,627 -0.049,628 0.059,629 1.774,630 4.212,631 0.778,632 24.892,633 1.009,634 1.117,635 3.014,636 9.084,637 0.73,638 3.434,639 3.784,640 4.06,641 4.382,642 4.644,643 4.771,644 4.934,645 5.063,646 5.118,647 5.17,648 6.122,649 0.698,650 422.31,651 3.434,652 4.99,653 5.849,654 6.746,655 7.629,656 8.533,657 9.427,658 10.334,659 11.234,660 12.144,661 11.6,665 1,668 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,698 1,699 43,700 23,701 2,702 30,703 1,704 46,705 20,706 18,707 5,708 7,710 4,711 5,715 1,721 19,722 1,724 1,728 1,731 1,733 1,736 16,737 5,738 4,739 7,740 1,743 5,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,766 1,777 3,780 1,781 1,785 27,786 1,790 1,800 1,801 2.3,804 1,808 13.833,809 8.043,810 5.806,811 2.377,812 4.566,813 1.592,814 1.048,815 4.685,816 12.274,817 3.761,818 4.434,819 5.063,820 5.74,821 6.342,822 6.742,823 7.237,824 7.704,825 8.034,826 8.431,827 1,828 43,829 9.89,831 4.213,832 7.775,833 18.718,835 15.339,837 2.275,838 61.417,841 1,842 141.253,843 122.7,844 147.219,846 25.145,849 168.654,850 166.398,851 101.265,852 8.825,853 18.011,854 108.278,855 75.192,856 46.531,857 15.814,858 117.711,859 45.954,860 141.253,861 223.964,862 25.145,864 45.954,865 141.253,866 25.145,869 57.325,870 133.069,871 33.571,872 45.954,873 141.253,874 126.409,875 168.654,878 141.253,879 29.446,880 93.254,881 80.75,882 91.613,883 141.253,884 126.409,885 168.654,887 0.587,888 0.33,889 0.188,890 0.109,891 22,892 10,893 0.065,894 3,895 1,896 1.095,897 3.817,898 239.987,899 0.095,900 21,901 124.382,904 17.712,905 7.141,906 3.589,907 2.052,908 109.624,909 17.248,910 8.671,911 3.278,914 5.458,916 67.693,917 436.317,918 42,922 11.212,925 -0.107,926 43.367,927 48.034,928 0.305,929 0.71,930 0.87,931 0.937,932 0.937,933 0.937,934 4.994,935 1.498,936 5.849,937 4.674,938 4.466,939 5.121,940 1.953,941 6.681,942 4.386,943 6.235,944 1.309,945 7.418,946 4.23,947 4.111,948 4.997,949 1.593,950 7.618,951 3.986,952 7.559,953 1.05,954 9.084,955 3.575,956 6.075,957 7.401,958 2.904,959 10.741,960 5.943,961 8.919,962 1,963 10.809,964 2.759,965 6.509,966 8.089,967 3.032,968 12.539,969 6.356,970 10.308,971 0.569,972 12.574,973 2.275,974 7.973,975 9.976,976 4.037,977 15.197,978 7.809,979 11.721,980 0.123,981 14.368,982 1.389,983 8.781,984 11.068,985 4.409,986 17.361,987 8.607,988 13.151,989 -0.246,990 16.186,991 0.296,992 10.047,993 12.733,994 5.25,995 19.865,996 9.86,997 3.25,998 -0.376,999 18.021,1000 -0.618,1001 11.038,1002 14.033,1003 5.75,1004 22.181,1005 10.842,1006 2.907,1007 11.509,1008 19.871,1009 -0.918,1010 12.226,1011 15.601,1012 6.501,1013 24.634,1014 12.017,1015 2.601,1016 9.682,1017 21.733,1018 4.578,1019 13.306,1020 17.006,1021 7.068,1022 27.015,1023 13.086,1024 2.333,1025 7.535,1026 23.604,1027 4.055,1028 14.468,1029 18.534,1030 7.771,1031 29.452,1032 14.235,1033 2.255,1034 7.004,1035 25.484,1036 3.542,1037 15.59,1038 19.991,1039 8.374,1040 31.862,1041 15.344,1042 1.965,1043 6.167,1044 27.37,1045 3.109,1046 16.747,1047 21.504,1048 9.051,1049 34.296,1050 16.486,1051 1.834,1052 5.465,1053 29.261,1054 2.989,1055 17.89,1056 22.987,1057 9.674,1058 36.719,1059 17.615,1060 8141,1061 14668,1062 19.997,1063 31.404,1064 45.976,1065 46.29,1066 46.993,1067 45.598,1068 45.392,1069 63.087,1070 4.112,1071 133.119,1072 43.31,1073 5.406,1074 5.533,1075 6.29,1076 5.305,1077 5.25,1078 7.578,1079 3.306,1080 19.064,1081 5.195,1082 13.801,1083 1.533,1084 1.543,1085 1.566,1086 1.52,1087 1.513,1088 2.103,1089 0.137,1090 4.437,1091 1.444,1092 4.149,1093 4.18,1094 6.88,1095 4.078,1096 7.43,1097 4.081,1098 3.951,1099 3.982,1100 4.094,1101 3.882,1102 5.235,1103 3.881,1104 3.725,1105 3.778,1106 3.893,1107 3.577,1108 4.96,1109 3.592,1110 3.501,1111 3.548,1112 3.672,1113 3.308,1114 4.759,1115 3.308,1116 3.387,1117 3.436,1118 3.407,1119 3.264,1120 4.516,1121 3.267,1122 3.06,1123 3.149,1124 3.169,1125 2.855,1126 4.305,1127 2.871,1128 2.943,1129 2.999,1130 2.953,1131 2.831,1132 3.956,1133 2.819,1134 2.854,1135 2.925,1136 2.806,1137 2.735,1138 3.928,1139 2.715,1140 0.155,1141 0.118,1142 0.229,1143 0.141,1144 0.108,1145 4.658,1146 0.153,1147 3.533,1148 0.064,1149 6.876,1150 0.384,1151 4.233,1152 0.107,1153 3.25,1154 4.578,1155 1.907,1156 11.509,1157 3.195,1158 1.983,1159 1.963,1160 2.05,1161 2.067,1162 1.198,1163 2.063,1164 1.905,1165 1.883,1166 1.97,1167 1.983,1168 1.115,1169 1.989,1170 1.693,1171 1.651,1172 1.783,1173 1.88,1174 0.835,1175 1.856,1176 1.442,1177 1.39,1178 1.689,1179 1.68,1180 0.71,1181 1.681,1182 1.385,1183 1.321,1184 1.543,1185 1.627,1186 0.534,1187 1.611,1188 1.022,1189 0.974,1190 1.245,1191 1.287,1192 0.257,1193 1.29,1194 0.969,1195 0.909,1196 1.181,1197 1.108,1198 0.218,1199 1.124,1200 0.886,1201 0.821,1202 1.115,1203 1.062,1204 0.134,1205 1.107,1206 4.111,1208 5.451,1209 2.398,1210 6.98,1211 4.727,1212 8.6,1213 6.843,1214 10.271,1215 3.489,1216 1.481,1220 5.871,1223 2.765,1231 30.008,1232 71.281,1233 165.639,1234 202.923,1235 218.574,1236 218.574,1237 218.574,1238 37.157,1239 7.708,1240 96.69,1241 96.69,1242 23,1243 12.661,1244 4.585,1245 3.7,1246 40.081,1247 95,1248 112,1249 0.204,1250 190.724,1251 315.55,1252 457.126,1253 23556,1254 2.3,1255 18.966,1256 0.702,1257 0.594,1258 19.966,1259 16.04,1260 13.008,1261 0.434,1262 0.303,1263 8.245,1264 12.053,1265 7.983,1266 6.619,1267 13.585,1268 9.079,1269 12.24,1270 0.285,1271 0.164,1272 13.056,1273 7.057,1274 9.793,1275 0.172,1276 0.083,1277 10.317,1278 4.716,1279 8.615,1280 0.109,1281 0.043,1282 9.084,1283 3.404,1284 7.188,1285 0.07,1286 0.023,1287 7.673,1288 2.38,1289 0.314,1290 89.011,1291 0.224,1292 25.63,1293 0.576,1294 146,1295 413.658,1296 222.827,1297 449.054,1298 611.05,1299 418,1300 173,1301 433.722,1302 210.919,1303 456.26,1304 665.17,1305 430,1306 5.509} {0 CHEMBL1802391,1 1.658,2 10.148,3 3.453,4 11.925,5 109.061,6 9.821,7 0.733,8 3.884,9 4,10 3.686,11 3.507,12 5.088,13 3.49,14 4.343,15 4.484,16 4.113,17 3.903,18 5.562,19 3.864,20 4.562,21 4.726,22 4.247,23 4.032,24 5.709,25 3.97,26 4.588,27 4.765,28 4.232,29 4.058,30 5.711,31 3.972,32 4.617,33 4.812,34 4.008,35 3.99,36 5.741,37 3.913,38 4.589,39 4.797,40 4.073,41 3.929,42 5.716,43 3.856,44 4.529,45 4.752,46 4.038,47 3.871,48 5.601,49 3.761,50 4.435,51 4.669,52 4.063,53 3.719,54 5.514,55 3.591,56 0.064,57 0.652,58 4.988,59 3.261,60 9.322,61 3.761,62 0.188,63 1.015,64 10.241,65 5.817,66 20.82,67 7.091,68 0.275,69 1.202,70 20.641,71 7.467,72 35.735,73 8.371,74 0.198,75 1.232,76 24.565,77 8.461,78 23.823,79 9.982,80 0.233,81 1.257,82 24.911,83 8.43,84 34.19,85 10.114,86 0.29,87 1.252,88 19,89 7.645,90 36.829,91 9.503,92 0.26,93 1.169,94 18.873,95 7.608,96 30.852,97 9.436,98 0.251,99 0.997,100 26.54,101 7.574,102 32.061,103 9.292,104 19,105 43,106 0.283,107 0.658,108 0.806,109 0.868,110 0.868,111 0.868,112 3.341,113 0.909,114 -4.24,115 -4.18,116 -3.95,117 1,119 46.5,120 1,133 7,134 4,135 2,136 1,137 1,141 1,142 1,143 1,147 1,152 1,153 1,154 1,159 9,161 1,162 4,163 2,164 3,166 5,168 11,172 3,176 5,178 10,182 8,185 1,187 5,190 9,192 2,194 8,199 4,202 8,204 2,206 4,209 1,210 1,211 5,212 1,213 8,215 3,217 2,220 2,222 6,224 7,226 3,229 2,234 3,237 6,239 2,241 2,242 3,246 2,247 1,249 1,250 5,255 1156,256 18.154,257 18.154,258 18.154,259 18.154,260 18.154,261 15.371,262 11.646,263 10.58,264 18.513,265 14.813,266 14.813,267 14.813,268 14.813,269 14.813,270 10.668,271 12.934,272 5.019,273 15.472,274 3.769,275 1.574,276 0.707,277 0.343,278 0.343,279 0.343,280 4.036,284 1,285 594,286 2.915,288 50.808,289 228.881,291 97.681,295 1.572,296 21.34,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 57.25,307 274,308 4.687,309 3.533,310 6.913,311 4.249,312 3.272,313 4.629,314 1.907,315 11.63,316 3.199,317 4.36,318 3.327,319 6.471,320 3.92,321 2.951,322 4.077,323 0.149,324 10.021,325 2.86,326 3.986,327 3.054,328 5.803,329 3.579,330 2.613,331 3.551,333 7.821,334 2.516,335 3.681,336 2.649,337 5.433,338 3.303,339 2.34,340 3.088,342 7.143,343 2.234,344 3.63,345 2.471,346 5.176,347 3.152,348 2.244,349 2.989,351 6.248,352 2.013,353 3.358,354 2.312,355 4.841,356 2.936,357 1.927,358 2.574,360 5.123,361 1.925,362 3.073,363 1.852,364 4.464,365 2.604,366 1.661,367 2.327,369 4.542,370 1.513,371 3.041,372 1.547,373 4.27,374 2.519,375 1.546,376 2.267,378 3.683,379 1.502,380 2.744,381 1.359,382 4.088,383 2.249,384 1.283,385 1.85,386 3.578,387 1.223,388 2.5,389 1,390 3.829,391 2,392 1,393 1.5,394 2.638,395 1,396 2.5,397 1,398 3.414,399 1.953,400 1,401 1.5,402 2.275,403 0.95,404 2.186,405 0.931,406 3.296,407 1.635,408 0.74,409 1.052,411 1.795,412 0.613,413 1.433,414 0.654,415 2.842,416 1.081,417 0.124,418 0.153,420 0.299,421 0.117,422 1.104,423 0.212,424 2.518,425 0.696,426 -0.241,427 -0.301,429 -0.592,430 -0.168,431 1.041,432 0.096,433 2.374,434 0.519,435 -0.315,436 -0.404,438 -0.733,439 -0.254,440 13.667,441 0.506,442 0.733,443 0.027,444 40,445 1.481,446 22.5,447 0.833,448 17.5,449 0.648,450 20.398,451 0.755,452 26.533,453 0.617,454 28.343,455 1.05,456 7.763,457 0.288,458 5.262,459 0.195,460 0.188,462 0.366,466 0.865,467 1.084,468 0.486,469 0.697,470 0.762,471 0.716,472 0.543,473 0.951,474 0.563,475 0.772,476 0.487,477 0.807,478 1.21,479 1.02,480 0.923,481 0.9,482 1.175,483 0.924,484 0.811,485 1.061,486 1.094,487 1.048,488 0.608,489 1.026,490 1.001,491 1.137,492 0.774,493 1.004,494 0.942,495 1.034,496 0.88,497 1.08,498 0.521,499 0.875,500 0.886,501 0.969,502 0.816,503 0.974,504 0.729,505 0.879,506 0.679,507 1.009,508 0.838,509 1.08,510 1.168,511 1.111,512 0.766,513 1.058,514 5.5,515 0.161,516 3.333,517 1.972,518 1.574,519 0.969,520 0.752,521 0.406,522 0.313,523 0.173,524 8369,525 26470,526 2.097,527 37.2,529 7,530 1,531 1,532 4,533 3,536 1.704,537 1.952,538 3.293,539 1.698,541 1,545 71.281,546 1.658,547 3.852,548 4.719,549 5.083,550 5.083,551 5.083,552 2.756,553 4.385,554 4.721,555 3.472,556 1218.69,557 8.22,558 15181.6,560 1,562 1,563 233.329,564 1.447,565 4.681,566 0.183,567 0.012,568 0.078,569 0.045,570 0.037,571 0.024,572 0.02,573 0.013,574 0.012,575 0.009,576 0.432,577 0.17,578 1,579 0.936,580 132.184,581 -0.142,582 0.017,583 -0.006,584 0.07,585 -0.158,586 0.072,587 0.21,588 0.1,589 0.033,590 0.057,591 0.15,592 0.047,593 -0.213,594 0.001,595 -0.035,596 0.02,597 -0.194,598 -0.026,599 -0.052,600 -0.069,601 -0.058,602 -0.07,603 0.007,604 -0.074,605 -0.123,606 -0.156,607 -0.071,608 -0.105,609 -0.068,610 -0.085,611 0.002,612 -0.067,613 0.038,614 -0.024,615 -0.051,616 -0.034,617 -0.029,618 0.033,619 0.036,620 0.036,621 -0.041,622 -0.034,623 0.046,624 -0.136,625 0.062,626 -0.045,627 0.031,628 -0.004,629 1.774,630 4.215,631 0.778,632 24.137,633 1.009,634 1.117,635 3.014,636 9.084,637 0.73,638 3.434,639 3.784,640 4.078,641 4.394,642 4.644,643 4.771,644 4.934,645 5.075,646 5.112,647 5.17,648 6.043,649 0.698,650 422.31,651 3.434,652 4.99,653 5.855,654 6.753,655 7.641,656 8.546,657 9.444,658 10.353,659 11.257,660 12.169,661 11.6,665 1,668 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,698 1,699 43,700 23,701 2,702 30,703 1,704 46,705 20,706 18,707 5,708 7,710 4,711 5,715 1,721 19,722 1,724 1,728 1,731 1,733 1,736 16,737 5,738 4,739 7,740 1,743 5,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,766 1,777 3,780 1,781 1,785 27,786 1,790 1,800 1,801 2.3,804 1,808 13.833,809 8.043,810 5.833,811 2.384,812 4.588,813 1.595,814 1.048,815 4.685,816 12.297,817 3.761,818 4.434,819 5.078,820 5.75,821 6.339,822 6.739,823 7.233,824 7.711,825 8.033,826 8.429,827 0.857,828 44,829 9.891,831 4.215,832 7.775,833 18.718,835 15.343,837 2.275,838 61.417,841 1,842 141.253,843 122.7,844 147.219,846 25.145,849 168.654,850 166.398,851 101.265,852 8.825,853 18.011,854 108.278,855 75.192,856 46.531,857 15.814,858 117.711,859 45.954,860 141.253,861 223.964,862 25.145,864 45.954,865 141.253,866 25.145,869 57.325,870 133.069,871 33.571,872 45.954,873 141.253,874 126.409,875 168.654,878 141.253,879 29.446,880 93.254,881 80.75,882 91.613,883 141.253,884 126.409,885 168.654,887 0.587,888 0.337,889 0.191,890 0.108,891 22,892 10,893 0.065,894 3,895 1,896 1.095,897 3.799,898 241.12,899 0.095,900 21,901 124.382,904 17.712,905 7.141,906 3.461,907 2.037,908 109.624,909 17.2,910 8.676,911 3.288,914 5.422,916 67.693,917 436.317,918 42,922 11.215,925 -0.108,926 43.367,927 48.034,928 0.305,929 0.71,930 0.87,931 0.937,932 0.937,933 0.937,934 4.994,935 1.546,936 5.855,937 4.542,938 4.466,939 5.121,940 1.953,941 6.698,942 4.386,943 6.235,944 1.283,945 7.432,946 3.683,947 4.111,948 4.997,949 1.593,950 7.67,951 3.986,952 7.561,953 1,954 9.11,955 3.578,956 6.084,957 7.409,958 2.904,959 10.803,960 5.946,961 8.925,962 1,963 10.848,964 2.638,965 6.538,966 8.119,967 3.032,968 12.633,969 6.365,970 10.321,971 0.74,972 12.627,973 2.275,974 8.003,975 10.006,976 4.037,977 15.299,978 7.817,979 11.74,980 0.124,981 14.435,982 1.795,983 8.834,984 11.124,985 4.409,986 17.481,987 8.621,988 13.179,989 -0.241,990 16.265,991 0.299,992 10.101,993 12.791,994 5.25,995 19.992,996 9.874,997 3.272,998 -0.315,999 18.112,1000 -0.592,1001 11.11,1002 14.114,1003 5.75,1004 22.32,1005 10.86,1006 2.951,1007 11.63,1008 19.973,1009 -0.733,1010 12.302,1011 15.687,1012 6.501,1013 24.781,1014 12.035,1015 2.613,1016 10.021,1017 21.844,1018 4.629,1019 13.394,1020 17.11,1021 7.068,1022 27.171,1023 13.106,1024 2.34,1025 7.821,1026 23.723,1027 4.077,1028 14.562,1029 18.645,1030 7.771,1031 29.615,1032 14.256,1033 2.244,1034 7.143,1035 25.61,1036 3.551,1037 15.693,1038 20.118,1039 8.374,1040 32.033,1041 15.367,1042 1.927,1043 6.248,1044 27.503,1045 3.088,1046 16.856,1047 21.641,1048 9.051,1049 34.475,1050 16.51,1051 1.661,1052 5.123,1053 29.4,1054 2.989,1055 18.006,1056 23.138,1057 9.674,1058 36.906,1059 17.64,1060 8056,1061 14433,1062 19.997,1063 31.404,1064 45.961,1065 46.424,1066 47.196,1067 45.575,1068 45.402,1069 63.109,1070 4.112,1071 133.589,1072 43.33,1073 5.435,1074 5.533,1075 6.442,1076 5.321,1077 5.272,1078 7.629,1079 3.306,1080 19.255,1081 5.199,1082 13.693,1083 1.532,1084 1.547,1085 1.573,1086 1.519,1087 1.513,1088 2.104,1089 0.137,1090 4.453,1091 1.444,1092 4.15,1093 4.179,1094 6.881,1095 4.083,1096 7.43,1097 4.084,1098 3.951,1099 3.982,1100 4.082,1101 3.883,1102 5.235,1103 3.882,1104 3.725,1105 3.778,1106 3.887,1107 3.574,1108 4.958,1109 3.59,1110 3.501,1111 3.548,1112 3.671,1113 3.287,1114 4.759,1115 3.304,1116 3.381,1117 3.44,1118 3.407,1119 3.241,1120 4.516,1121 3.244,1122 3.061,1123 3.149,1124 3.251,1125 2.937,1126 4.295,1127 2.891,1128 2.953,1129 2.993,1130 2.948,1131 2.844,1132 3.956,1133 2.851,1134 2.854,1135 2.925,1136 2.735,1137 2.735,1138 3.938,1139 2.715,1140 0.156,1141 0.118,1142 0.23,1143 0.142,1144 0.109,1145 4.687,1146 0.154,1147 3.533,1148 0.064,1149 6.913,1150 0.388,1151 4.249,1152 0.107,1153 3.272,1154 4.629,1155 1.907,1156 11.63,1157 3.199,1158 1.983,1159 1.963,1160 2.051,1161 2.067,1162 1.199,1163 2.063,1164 1.905,1165 1.883,1166 1.97,1167 1.98,1168 1.115,1169 1.987,1170 1.693,1171 1.651,1172 1.781,1173 1.879,1174 0.835,1175 1.855,1176 1.442,1177 1.391,1178 1.688,1179 1.68,1180 0.71,1181 1.681,1182 1.384,1183 1.322,1184 1.537,1185 1.628,1186 0.532,1187 1.611,1188 1.029,1189 0.967,1190 1.251,1191 1.292,1192 0.285,1193 1.294,1194 0.974,1195 0.908,1196 1.181,1197 1.148,1198 0.218,1199 1.163,1200 0.886,1201 0.821,1202 1.172,1203 1.062,1204 0.135,1205 1.107,1206 4.111,1208 5.451,1209 2.398,1210 6.986,1211 4.727,1212 8.613,1213 6.862,1214 10.292,1215 3.565,1216 1.481,1220 5.875,1223 2.765,1231 30.008,1232 71.281,1233 165.639,1234 202.923,1235 218.574,1236 218.574,1237 218.574,1238 37.541,1239 7.708,1240 96.69,1241 96.69,1242 23,1243 12.684,1244 4.585,1245 3.7,1246 40.062,1247 94,1248 112,1249 0.206,1250 190.724,1251 315.55,1252 457.126,1253 23554,1254 2.3,1255 18.966,1256 0.702,1257 0.594,1258 19.966,1259 16.04,1260 13.025,1261 0.434,1262 0.303,1263 8.251,1264 12.106,1265 7.991,1266 6.628,1267 13.602,1268 9.085,1269 12.133,1270 0.282,1271 0.162,1272 12.875,1273 6.968,1274 9.93,1275 0.171,1276 0.085,1277 10.647,1278 4.904,1279 8.731,1280 0.109,1281 0.044,1282 9.349,1283 3.542,1284 7.143,1285 0.069,1286 0.023,1287 7.596,1288 2.358,1289 0.317,1290 89.112,1291 0.224,1292 25.566,1293 0.585,1294 146,1295 413.658,1296 222.827,1297 448.917,1298 611.67,1299 418,1300 174,1301 434.722,1302 218.68,1303 457.125,1304 668.77,1305 431,1306 6.721} {0 CHEMBL1802392,1 1.786,2 9.407,3 5.275,4 27.828,5 101.952,6 11.109,7 0.733,8 3.816,9 3.917,10 3.704,11 3.441,12 5.09,13 3.45,14 4.317,15 4.435,16 4.213,17 3.848,18 6.08,19 3.845,20 4.482,21 4.631,22 4.285,23 3.986,24 5.783,25 3.949,26 4.576,27 4.742,28 4.367,29 3.974,30 5.948,31 3.936,32 4.541,33 4.732,34 4.124,35 3.886,36 5.794,37 3.839,38 4.419,39 4.598,40 4.163,41 3.857,42 5.644,43 3.809,44 4.465,45 4.647,46 4.251,47 3.818,48 5.784,49 3.759,50 4.464,51 4.693,52 3.943,53 3.612,54 5.947,55 3.523,56 0.18,57 0.805,58 1.988,59 3.072,60 29.162,61 2.849,62 0.796,63 1.641,64 5.119,65 5.608,66 131.708,67 5.269,68 0.414,69 1.44,70 13.001,71 7.284,72 41.903,73 7.409,74 0.673,75 1.598,76 17.077,77 8.237,78 82.596,79 7.635,80 0.679,81 1.413,82 28.607,83 8.152,84 89.227,85 7.924,86 0.424,87 1.228,88 9.513,89 6.31,90 48.317,91 6.66,92 0.486,93 1.319,94 16.386,95 7.086,96 52.084,97 7.158,98 0.871,99 1.381,100 34.83,101 8.258,102 101.825,103 8.498,104 27,105 45,106 0.312,107 0.634,108 0.787,109 0.857,110 0.857,111 0.857,112 3.341,113 0.87,114 -5.58,115 -5.45,116 -5.09,117 1,119 48.7,127 1,133 7,134 5,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 10,161 1,162 3,163 2,164 2,166 3,168 14,172 3,176 1,178 12,182 5,185 1,187 5,190 6,192 2,194 8,199 3,202 7,204 2,206 3,209 1,210 1,211 4,212 1,213 7,215 2,217 3,222 7,224 8,226 5,229 1,234 3,237 8,239 2,250 5,255 1111,256 17.764,257 17.764,258 17.764,259 17.764,260 17.764,261 15.227,262 9.261,263 10.076,264 18.354,265 14.794,266 14.794,267 14.794,268 14.794,269 14.794,270 10.985,271 7.329,272 4.745,273 15.894,274 3.5,275 1.652,276 0.78,277 0.378,278 0.378,279 0.378,280 4.032,284 1,285 549,286 3.24,288 50.558,289 227.51,291 97.263,295 1.46,296 40.32,299 0.75,300 1,301 1,302 0.4,304 1,305 0.74,306 60.25,307 254,308 4.705,309 4.46,310 7.112,311 4.269,312 3.324,313 4.647,314 3.825,315 11.849,316 3.206,317 4.455,318 3.364,319 6.974,320 4.168,321 3.28,322 4.078,324 11.655,325 2.918,326 4.304,327 3.014,328 6.473,329 3.89,330 2.925,331 3.746,333 10.028,334 2.768,335 3.761,336 2.509,337 5.625,338 3.33,339 2.385,340 3.164,342 7.306,343 2.242,344 3.507,345 2.396,346 5.044,347 3.06,348 2.131,349 2.877,351 5.93,352 1.976,353 3.414,354 2.155,355 5.017,356 2.87,357 1.984,358 2.798,360 5.673,361 1.66,362 3.161,363 1.969,364 4.734,365 2.718,366 1.775,367 2.393,369 5.07,370 1.642,371 2.842,372 1.463,373 4.455,374 2.367,375 1.397,376 1.983,378 3.963,379 1.338,380 2.65,381 1.249,382 4.002,383 2.157,384 1.197,385 1.714,386 3.121,387 1.137,388 2.5,389 1,390 3.756,391 2,392 1,393 1.5,394 2.559,395 1,396 2.5,397 1,398 3.414,399 1.953,400 1,401 1.5,402 2.275,403 0.95,404 2.166,405 0.917,406 3.311,407 1.612,408 0.715,409 1.021,411 1.769,412 0.596,413 1.296,414 0.51,415 2.91,416 0.913,417 -0.023,418 -0.029,420 -0.056,421 -0.021,422 1.044,423 0.51,424 2.634,425 0.5,426 -0.319,427 -0.411,429 -0.734,430 -0.189,431 0.789,432 0.18,433 2.393,434 0.368,435 -0.589,436 -0.749,438 -1.428,439 -0.559,440 13.29,441 0.492,442 0.916,443 0.034,444 38,445 1.407,446 20.5,447 0.759,448 17.5,449 0.648,450 21.278,451 0.788,452 27.51,453 0.705,454 29.113,455 1.078,456 7.475,457 0.277,458 5.367,459 0.199,460 0.195,461 0.038,462 0.339,463 3,466 0.615,467 0.84,468 0.466,469 0.672,470 0.645,471 0.677,472 0.378,473 0.624,474 0.548,475 0.704,476 0.339,477 0.789,478 0.612,479 0.874,480 0.895,481 0.946,482 0.495,483 0.969,484 1.013,485 1.005,486 1.06,487 1.014,488 0.961,489 1.055,490 0.914,491 0.859,492 1.183,493 1.027,494 0.836,495 1.055,496 0.491,497 0.699,498 0.721,499 0.801,500 0.397,501 0.945,502 0.675,503 0.957,504 1.117,505 1.176,506 0.594,507 1.213,508 0.894,509 0.766,510 1.535,511 1.173,512 0.962,513 1.211,514 6.5,515 0.2,516 4,517 2.25,518 1.574,519 1.094,520 0.898,521 0.505,522 0.313,523 0.3,524 8077,525 32453,526 2.066,527 30.8,529 7,530 1,531 1,532 3,536 1.706,537 1.895,538 3.186,539 0.981,545 69.646,546 1.786,547 3.633,548 4.506,549 4.907,550 4.907,551 4.907,552 2.696,553 4.208,554 4.726,555 3.385,556 1188.15,557 8.231,558 14684,563 206.131,564 1.675,565 4.66,566 0.217,567 0.013,568 0.089,569 0.049,570 0.036,571 0.028,572 0.023,573 0.014,574 0.012,575 0.017,576 0.497,577 0.33,578 0.88,579 0.803,580 131.325,581 -0.076,582 -0.001,583 -0.008,584 0.066,585 -0.138,586 0.077,587 0.451,588 0.372,589 0.024,590 0.11,591 0.482,592 0.004,593 -0.032,594 -0.106,595 -0.022,596 -0.048,597 0.036,598 -0.036,599 -0.146,600 -0.076,601 -0.048,602 -0.047,603 -0.113,604 -0.109,605 -0.152,606 -0.035,607 -0.13,608 -0.056,609 -0.124,610 -0.051,611 -0.009,612 -0.027,613 0.031,614 0.035,615 0.004,616 -0.003,617 -0.034,618 -0.215,619 -0.01,620 -0.213,621 -0.004,622 -0.214,623 0.125,624 0.144,625 -0.155,626 -0.06,627 0.04,628 -0.088,629 5.638,630 4.846,631 0.778,632 21.879,633 1.038,634 1.137,635 4.349,636 18.914,637 0.737,638 3.434,639 3.829,640 4.111,641 4.407,642 4.654,643 4.804,644 4.963,645 5.056,646 5.13,647 5.236,648 5.795,649 0.729,650 433.25,651 3.434,652 5.017,653 5.889,654 6.804,655 7.696,656 8.613,657 9.514,658 10.432,659 11.337,660 12.256,661 10.3,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,698 1,699 39,700 22,701 2,702 30,703 1,704 42,705 19,706 18,707 5,708 7,710 4,711 5,715 1,718 1,721 18,722 1,734 3,736 12,737 6,738 3,739 8,740 1,743 4,747 0.75,755 1,756 1,759 1,760 3,762 1,777 3,780 1,783 3,785 27,786 1,795 1,800 4,808 14.25,809 7.055,810 5.667,811 2.137,812 4.489,813 1.582,814 1.065,815 4.353,816 12.198,817 3.738,818 4.434,819 5.096,820 5.758,821 6.345,822 6.752,823 7.243,824 7.688,825 8.041,826 8.455,827 1,828 46,829 10.338,831 4.926,832 8.222,833 18.181,835 15.165,837 2.722,838 73.5,842 105.94,843 117.358,844 129.208,847 44.88,849 163.313,850 105.94,851 128.134,854 108.278,855 45.342,856 91.84,857 15.814,858 82.398,859 53.714,860 105.94,861 200.612,862 44.88,864 45.954,865 105.94,866 44.88,869 38.248,870 128.793,871 33.571,872 45.954,873 150.82,874 83.254,875 163.313,878 113.699,879 25.17,880 84.429,881 62.74,882 111.349,883 105.94,884 128.134,885 163.313,887 0.603,888 0.348,889 0.185,890 0.102,891 24,892 11,893 0.048,894 2,895 1,896 1.095,897 3.71,898 245.853,899 0.095,900 21,901 119.627,904 17.873,905 6.576,906 3.279,907 1.804,908 111.349,909 13.948,910 8.38,911 3.175,914 2.726,916 49.683,917 397.387,918 41,926 40.476,927 44.345,928 0.338,929 0.687,930 0.852,931 0.928,932 0.928,933 0.928,934 5.001,935 1.397,936 5.938,937 5.07,938 4.511,939 5.121,940 3.037,941 6.836,942 4.38,943 6.268,944 1.197,945 7.561,946 3.963,947 4.369,948 5.075,949 3.903,950 8.063,951 4.075,952 7.618,953 1,954 9.293,955 3.121,956 6.236,957 7.435,958 5.42,959 11.121,960 5.987,961 9.008,962 1,963 11.091,964 2.559,965 6.878,966 8.192,967 6.69,968 13.131,969 6.482,970 10.427,971 0.715,972 12.93,973 2.275,974 8.293,975 10.054,976 8.058,977 15.776,978 7.911,979 11.869,980 -0.023,981 14.797,982 1.769,983 9.257,984 11.196,985 9.388,986 18.065,987 8.761,988 13.329,989 -0.319,990 16.683,991 -0.056,992 10.517,993 12.85,994 10.734,995 20.583,996 10.002,997 3.324,998 -0.589,999 18.584,1000 -0.734,1001 11.611,1002 14.183,1003 12.074,1004 22.974,1005 11.01,1006 3.28,1007 11.849,1008 20.494,1009 -1.428,1010 12.819,1011 15.75,1012 13.416,1013 25.45,1014 12.18,1015 2.925,1016 11.655,1017 22.413,1018 4.647,1019 13.967,1020 17.178,1021 14.758,1022 27.881,1023 13.258,1024 2.385,1025 10.028,1026 24.337,1027 4.078,1028 15.158,1029 18.711,1030 16.1,1031 30.344,1032 14.404,1033 2.131,1034 7.306,1035 26.267,1036 3.746,1037 16.328,1038 20.186,1039 17.441,1040 32.791,1041 15.515,1042 1.984,1043 5.93,1044 28.2,1045 3.164,1046 17.515,1047 21.708,1048 18.783,1049 35.251,1050 16.654,1051 1.775,1052 5.673,1053 30.136,1054 2.877,1055 18.695,1056 23.207,1057 20.124,1058 37.705,1059 17.781,1060 7790,1061 15759,1062 19.592,1063 28.756,1064 47.129,1065 46.414,1066 47.834,1067 46.628,1068 46.226,1069 62.838,1070 7.651,1071 142.397,1072 42.868,1073 5.436,1074 6.46,1075 6.656,1076 5.341,1077 5.324,1078 7.647,1079 5.335,1080 19.44,1081 5.206,1082 14.959,1083 1.571,1084 1.547,1085 1.594,1086 1.554,1087 1.541,1088 2.095,1089 0.255,1090 4.747,1091 1.429,1092 4.15,1093 4.179,1094 6.881,1095 4.085,1096 8.513,1097 4.085,1098 3.959,1099 3.986,1100 4.081,1101 3.892,1102 7.999,1103 3.892,1104 3.728,1105 3.778,1106 3.907,1107 3.577,1108 7.999,1109 3.597,1110 3.382,1111 3.44,1112 3.696,1113 3.252,1114 5.234,1115 3.251,1116 3.307,1117 3.357,1118 3.316,1119 3.012,1120 4.958,1121 3.067,1122 3.002,1123 3.083,1124 3.246,1125 2.943,1126 4.72,1127 2.886,1128 2.92,1129 2.977,1130 2.867,1131 2.735,1132 4.489,1133 2.715,1134 2.854,1135 2.925,1136 2.716,1137 2.653,1138 4.298,1139 2.691,1140 0.157,1141 0.149,1142 0.237,1143 0.142,1144 0.111,1145 4.705,1146 0.155,1147 4.46,1148 0.128,1149 7.112,1150 0.395,1151 4.269,1152 0.107,1153 3.324,1154 4.647,1155 3.825,1156 11.849,1157 3.206,1158 1.985,1159 1.967,1160 2.048,1161 2.066,1162 1.204,1163 2.06,1164 1.907,1165 1.887,1166 1.971,1167 1.984,1168 1.123,1169 1.989,1170 1.694,1171 1.654,1172 1.774,1173 1.871,1174 0.835,1175 1.845,1176 1.395,1177 1.336,1178 1.53,1179 1.621,1180 0.543,1181 1.606,1182 1.103,1183 1.057,1184 1.258,1185 1.433,1186 0.286,1187 1.356,1188 1.015,1189 0.963,1190 1.181,1191 1.238,1192 0.218,1193 1.214,1194 0.886,1195 0.821,1196 1.175,1197 1.129,1198 0.161,1199 1.132,1200 0.82,1201 0.738,1202 1.039,1203 1.062,1204 0.059,1205 1.107,1206 4.111,1208 5.485,1209 2.398,1210 7.05,1211 4.727,1212 8.701,1213 6.862,1214 10.396,1215 3.535,1218 38.538,1220 5.782,1228 -4.388,1231 28.422,1232 69.646,1233 141.685,1234 175.724,1235 191.376,1236 191.376,1237 191.376,1238 49.882,1239 7.708,1240 67.59,1241 67.59,1242 23,1243 12.768,1244 4.524,1245 3.585,1246 39.997,1247 91,1248 91,1249 0.214,1250 176.863,1251 299.31,1252 423.306,1253 23216,1254 10.3,1255 19.181,1256 0.71,1257 0.565,1258 17.681,1259 15.266,1260 12.842,1261 0.428,1262 0.29,1263 7.819,1264 11.77,1265 7.671,1266 6.281,1267 12.208,1268 8.698,1269 12.71,1270 0.282,1271 0.151,1272 11.494,1273 6.785,1274 10.17,1275 0.17,1276 0.082,1277 9.908,1278 4.902,1279 8.698,1280 0.107,1281 0.044,1282 8.722,1283 3.558,1284 7.018,1285 0.067,1286 0.023,1287 7.282,1288 2.343,1289 0.326,1290 89.281,1291 0.226,1292 25.352,1293 0.617,1294 150,1295 607.923,1296 239.576,1297 553.896,1298 726.23,1299 512,1300 180,1301 496.832,1302 231.054,1303 500.751,1304 757.35,1305 471,1306 5.733} {0 CHEMBL1802393,1 1.786,2 9.444,3 5.275,4 27.828,5 101.952,6 11.109,7 0.733,8 3.816,9 3.917,10 3.704,11 3.441,12 5.089,13 3.45,14 4.317,15 4.435,16 4.213,17 3.848,18 6.082,19 3.845,20 4.482,21 4.63,22 4.199,23 3.97,24 5.785,25 3.934,26 4.571,27 4.745,28 4.168,29 3.931,30 5.927,31 3.901,32 4.537,33 4.736,34 4.2,35 3.882,36 5.784,37 3.843,38 4.422,39 4.595,40 4.093,41 3.84,42 5.66,43 3.792,44 4.459,45 4.651,46 4.108,47 3.799,48 5.743,49 3.74,50 4.462,51 4.694,52 4.178,53 3.616,54 5.962,55 3.545,56 0.18,57 0.805,58 1.988,59 3.072,60 29.051,61 2.849,62 0.796,63 1.641,64 5.119,65 5.608,66 132.142,67 5.269,68 0.416,69 1.439,70 16.744,71 7.344,72 41.424,73 7.427,74 0.667,75 1.593,76 15.53,77 7.997,78 81.407,79 7.607,80 0.67,81 1.412,82 16.645,83 7.636,84 92.517,85 7.818,86 0.432,87 1.229,88 18.179,89 6.502,90 45.764,91 6.7,92 0.475,93 1.315,94 10.283,95 6.883,96 53.635,97 7.134,98 0.869,99 1.383,100 24.862,101 7.717,102 103.183,103 8.372,104 27,105 45,106 0.312,107 0.634,108 0.787,109 0.857,110 0.857,111 0.857,112 3.341,113 0.869,114 -5.58,115 -5.45,116 -5.09,117 1,119 48.7,127 1,133 7,134 5,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 10,161 1,162 3,163 2,164 2,166 3,168 14,172 3,176 2,178 12,182 6,185 1,187 3,190 7,192 2,194 6,199 4,202 6,204 2,206 5,209 1,210 1,211 5,212 1,213 8,215 3,217 1,222 5,224 7,226 3,229 2,234 4,237 7,239 3,250 5,255 1124,256 17.712,257 17.712,258 17.712,259 17.712,260 17.712,261 15.194,262 9.261,263 10.041,264 18.333,265 14.804,266 14.804,267 14.804,268 14.804,269 14.804,270 11.004,271 7.329,272 4.766,273 15.951,274 3.5,275 1.652,276 0.78,277 0.378,278 0.378,279 0.378,280 4.032,284 1,285 551,286 3.24,288 51.373,289 228.65,291 97.729,295 1.498,296 40.078,299 0.75,300 1,301 1,302 0.4,304 1,305 0.74,306 60.25,307 255,308 4.661,309 4.46,310 7.112,311 4.243,312 3.32,313 4.581,314 3.825,315 11.666,316 3.197,317 4.45,318 3.269,319 6.877,320 4.162,321 3.244,322 4.067,324 11.512,325 2.912,326 4.286,327 2.972,328 6.358,329 3.86,330 2.888,331 3.745,333 9.684,334 2.762,335 3.768,336 2.678,337 5.591,338 3.335,339 2.392,340 3.172,342 7.258,343 2.244,344 3.621,345 2.448,346 5.045,347 3.123,348 2.232,349 3.049,351 6.021,352 1.988,353 3.412,354 2.156,355 4.954,356 2.923,357 2.015,358 2.761,360 5.756,361 1.713,362 3.153,363 1.955,364 4.749,365 2.706,366 1.765,367 2.386,369 5.093,370 1.623,371 2.847,372 1.46,373 4.519,374 2.365,375 1.398,376 1.991,378 4.175,379 1.336,380 2.66,381 1.267,382 4.15,383 2.165,384 1.209,385 1.727,386 3.356,387 1.142,388 2.556,389 1.099,390 3.817,391 2,392 1.065,393 1.583,394 2.734,395 1,396 2.5,397 1,398 3.414,399 1.996,400 1,401 1.5,402 2.275,403 0.979,404 2.064,405 0.689,406 3.234,407 1.535,408 0.595,409 0.864,411 1.47,412 0.539,413 1.302,414 0.51,415 2.905,416 0.915,417 -0.022,418 -0.028,420 -0.054,421 -0.02,422 1.002,423 0.51,424 2.628,425 0.488,426 -0.344,427 -0.436,429 -0.824,430 -0.204,431 0.781,432 0.187,433 2.392,434 0.368,435 -0.592,436 -0.758,438 -1.432,439 -0.564,440 13.29,441 0.492,442 0.932,443 0.035,444 38,445 1.407,446 20.5,447 0.759,448 17.5,449 0.648,450 20.958,451 0.776,452 27.51,453 0.705,454 29.178,455 1.081,456 7.459,457 0.276,458 5.366,459 0.199,460 0.195,461 0.038,462 0.339,463 3,466 0.615,467 0.84,468 0.466,469 0.672,470 0.645,471 0.677,472 0.378,473 0.624,474 0.548,475 0.704,476 0.336,477 0.789,478 0.62,479 0.889,480 0.958,481 1.032,482 0.498,483 1.048,484 1.02,485 1.003,486 0.765,487 0.95,488 0.969,489 1.076,490 0.875,491 0.834,492 0.688,493 0.766,494 0.822,495 0.875,496 0.493,497 0.742,498 1.018,499 1.048,500 0.397,501 1.115,502 0.696,503 0.919,504 0.74,505 0.965,506 0.62,507 1.128,508 0.813,509 0.772,510 1.139,511 1.003,512 0.922,513 1.042,514 7,515 0.163,516 4,517 2.069,518 1.529,519 1.174,520 0.794,521 0.531,522 0.371,523 0.295,524 8169,525 33141,526 2.066,527 30.8,529 7,530 1,531 1,532 3,536 1.705,537 1.895,538 3.204,539 0.981,545 69.646,546 1.786,547 3.633,548 4.506,549 4.907,550 4.907,551 4.907,552 2.683,553 4.282,554 4.725,555 3.407,556 1195.77,557 8.228,558 14843.8,563 206.131,564 1.675,565 4.66,566 0.233,567 0.01,568 0.089,569 0.046,570 0.036,571 0.029,572 0.021,573 0.016,574 0.013,575 0.016,576 0.509,577 0.33,578 0.88,579 0.803,580 131.614,581 -0.076,582 -0.001,583 -0.008,584 0.066,585 -0.138,586 0.077,587 0.451,588 0.372,589 0.024,590 0.11,591 0.485,592 0.004,593 -0.04,594 -0.12,595 -0.087,596 -0.136,597 0.033,598 -0.116,599 -0.157,600 -0.074,601 -0.069,602 -0.067,603 -0.119,604 -0.14,605 -0.118,606 -0.011,607 0.046,608 0.125,609 -0.105,610 0.124,611 -0.009,612 -0.07,613 -0.089,614 -0.169,615 0.001,616 -0.172,617 -0.062,618 -0.177,619 0.021,620 -0.09,621 -0.027,622 -0.138,623 0.206,624 0.137,625 0.069,626 0.067,627 0.085,628 0.08,629 5.637,630 4.84,631 0.778,632 22.45,633 1.038,634 1.137,635 4.349,636 18.914,637 0.737,638 3.434,639 3.829,640 4.094,641 4.382,642 4.654,643 4.804,644 4.956,645 5.069,646 5.124,647 5.242,648 5.867,649 0.729,650 433.25,651 3.434,652 5.017,653 5.883,654 6.795,655 7.683,656 8.596,657 9.493,658 10.408,659 11.309,660 12.224,661 10.3,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,698 1,699 39,700 22,701 2,702 30,703 1,704 42,705 19,706 18,707 5,708 7,710 4,711 5,715 1,718 1,721 18,722 1,734 3,736 12,737 6,738 3,739 8,740 1,743 4,747 0.75,755 1,756 1,759 1,760 3,762 1,777 3,780 1,783 3,785 27,786 1,795 1,800 4,808 14.25,809 7.055,810 5.639,811 2.13,812 4.474,813 1.58,814 1.065,815 4.353,816 12.182,817 3.738,818 4.434,819 5.082,820 5.74,821 6.348,822 6.757,823 7.244,824 7.696,825 8.034,826 8.464,827 1,828 45,829 10.335,831 4.922,832 8.222,833 18.181,835 15.16,837 2.722,838 73.5,842 105.94,843 117.358,844 129.208,847 44.88,849 163.313,850 105.94,851 128.134,854 108.278,855 45.342,856 91.84,857 15.814,858 82.398,859 53.714,860 105.94,861 200.612,862 44.88,864 45.954,865 105.94,866 44.88,869 38.248,870 128.793,871 33.571,872 45.954,873 150.82,874 83.254,875 163.313,878 113.699,879 25.17,880 84.429,881 62.74,882 111.349,883 105.94,884 128.134,885 163.313,887 0.604,888 0.342,889 0.179,890 0.104,891 24,892 11,893 0.048,894 2,895 1,896 1.095,897 3.73,898 244.489,899 0.095,900 21,901 119.627,904 17.873,905 6.576,906 3.396,907 1.819,908 111.349,909 13.999,910 8.372,911 3.17,914 2.78,916 49.683,917 397.387,918 41,926 40.476,927 44.345,928 0.338,929 0.687,930 0.852,931 0.928,932 0.928,933 0.928,934 5.001,935 1.398,936 5.932,937 5.093,938 4.511,939 5.121,940 3.037,941 6.819,942 4.38,943 6.268,944 1.209,945 7.548,946 4.175,947 4.369,948 5.075,949 3.903,950 8.021,951 4.075,952 7.616,953 1.065,954 9.272,955 3.356,956 6.229,957 7.427,958 5.42,959 11.063,960 5.984,961 9.002,962 1,963 11.059,964 2.734,965 6.858,966 8.164,967 6.69,968 13.047,969 6.473,970 10.416,971 0.595,972 12.888,973 2.275,974 8.269,975 10.024,976 8.058,977 15.679,978 7.901,979 11.851,980 -0.022,981 14.745,982 1.47,983 9.218,984 11.138,985 9.388,986 17.949,987 8.745,988 13.303,989 -0.344,990 16.622,991 -0.054,992 10.475,993 12.789,994 10.734,995 20.454,996 9.985,997 3.32,998 -0.592,999 18.515,1000 -0.824,1001 11.558,1002 14.096,1003 12.074,1004 22.829,1005 10.988,1006 3.244,1007 11.666,1008 20.418,1009 -1.432,1010 12.761,1011 15.655,1012 13.416,1013 25.293,1014 12.156,1015 2.888,1016 11.512,1017 22.33,1018 4.581,1019 13.901,1020 17.06,1021 14.758,1022 27.709,1023 13.23,1024 2.392,1025 9.684,1026 24.248,1027 4.067,1028 15.087,1029 18.581,1030 16.1,1031 30.159,1032 14.373,1033 2.232,1034 7.258,1035 26.172,1036 3.745,1037 16.251,1038 20.036,1039 17.441,1040 32.593,1041 15.481,1042 2.015,1043 6.021,1044 28.1,1045 3.172,1046 17.434,1047 21.544,1048 18.783,1049 35.04,1050 16.617,1051 1.765,1052 5.756,1053 30.031,1054 3.049,1055 18.609,1056 23.025,1057 20.124,1058 37.481,1059 17.741,1060 7875,1061 16004,1062 19.592,1063 28.756,1064 47.155,1065 46.329,1066 47.638,1067 46.667,1068 46.245,1069 62.853,1070 7.651,1071 142,1072 42.87,1073 5.392,1074 6.46,1075 6.526,1076 5.314,1077 5.32,1078 7.581,1079 5.335,1080 19.22,1081 5.197,1082 15.073,1083 1.572,1084 1.544,1085 1.588,1086 1.556,1087 1.541,1088 2.095,1089 0.255,1090 4.733,1091 1.429,1092 4.15,1093 4.18,1094 6.88,1095 4.079,1096 8.513,1097 4.082,1098 3.959,1099 3.986,1100 4.094,1101 3.892,1102 7.999,1103 3.892,1104 3.729,1105 3.778,1106 3.911,1107 3.582,1108 7.999,1109 3.599,1110 3.388,1111 3.436,1112 3.694,1113 3.298,1114 5.234,1115 3.278,1116 3.307,1117 3.357,1118 3.316,1119 3.012,1120 4.96,1121 3.067,1122 2.998,1123 3.084,1124 3.166,1125 2.86,1126 4.72,1127 2.842,1128 2.913,1129 2.983,1130 2.873,1131 2.735,1132 4.489,1133 2.715,1134 2.854,1135 2.925,1136 2.779,1137 2.648,1138 4.306,1139 2.686,1140 0.155,1141 0.149,1142 0.237,1143 0.141,1144 0.111,1145 4.661,1146 0.153,1147 4.46,1148 0.128,1149 7.112,1150 0.389,1151 4.243,1152 0.107,1153 3.32,1154 4.581,1155 3.825,1156 11.666,1157 3.197,1158 1.986,1159 1.967,1160 2.049,1161 2.067,1162 1.202,1163 2.061,1164 1.907,1165 1.887,1166 1.97,1167 1.984,1168 1.122,1169 1.988,1170 1.694,1171 1.654,1172 1.773,1173 1.871,1174 0.836,1175 1.845,1176 1.396,1177 1.335,1178 1.537,1179 1.624,1180 0.545,1181 1.609,1182 1.103,1183 1.057,1184 1.252,1185 1.433,1186 0.255,1187 1.355,1188 1.004,1189 0.972,1190 1.181,1191 1.225,1192 0.218,1193 1.197,1194 0.886,1195 0.821,1196 1.132,1197 1.104,1198 0.162,1199 1.116,1200 0.821,1201 0.736,1202 1.042,1203 1.062,1204 0.098,1205 1.107,1206 4.111,1208 5.485,1209 2.398,1210 7.045,1211 4.727,1212 8.688,1213 6.843,1214 10.374,1215 3.45,1218 38.52,1220 5.776,1228 -4.387,1231 28.422,1232 69.646,1233 141.685,1234 175.724,1235 191.376,1236 191.376,1237 191.376,1238 49.421,1239 7.708,1240 67.59,1241 67.59,1242 23,1243 12.739,1244 4.524,1245 3.585,1246 40.01,1247 92,1248 91,1249 0.211,1250 176.863,1251 299.31,1252 423.306,1253 23218,1254 10.3,1255 19.181,1256 0.71,1257 0.565,1258 17.681,1259 15.266,1260 12.826,1261 0.428,1262 0.29,1263 7.813,1264 11.722,1265 7.663,1266 6.272,1267 12.192,1268 8.692,1269 12.807,1270 0.285,1271 0.153,1272 11.666,1273 6.874,1274 10.1,1275 0.171,1276 0.08,1277 9.689,1278 4.723,1279 8.462,1280 0.107,1281 0.042,1282 8.201,1283 3.301,1284 7.073,1285 0.068,1286 0.023,1287 7.368,1288 2.384,1289 0.323,1290 89.18,1291 0.226,1292 25.412,1293 0.606,1294 150,1295 607.923,1296 239.576,1297 554.032,1298 725.61,1299 512,1300 179,1301 495.832,1302 224.401,1303 499.886,1304 753.71,1305 470,1306 5} {0 CHEMBL1802394,1 1.786,2 9.963,3 5.275,4 27.828,5 101.952,6 11.109,7 0.733,8 3.816,9 3.917,10 3.704,11 3.441,12 5.089,13 3.45,14 4.317,15 4.435,16 4.213,17 3.848,18 6.082,19 3.845,20 4.482,21 4.63,22 4.199,23 3.97,24 5.784,25 3.934,26 4.571,27 4.744,28 4.184,29 3.921,30 5.932,31 3.896,32 4.536,33 4.736,34 4.088,35 3.875,36 5.78,37 3.832,38 4.416,39 4.599,40 3.945,41 3.81,42 5.636,43 3.768,44 4.456,45 4.652,46 4.014,47 3.756,48 5.747,49 3.709,50 4.456,51 4.698,52 4.024,53 3.593,54 5.928,55 3.522,56 0.18,57 0.805,58 1.988,59 3.072,60 29.051,61 2.849,62 0.796,63 1.641,64 5.119,65 5.608,66 132.142,67 5.269,68 0.416,69 1.439,70 16.744,71 7.344,72 41.352,73 7.427,74 0.67,75 1.594,76 16.344,77 7.901,78 81.841,79 7.584,80 0.669,81 1.41,82 19.574,83 7.792,84 91.289,85 7.859,86 0.424,87 1.225,88 12.889,89 6.202,90 47.063,91 6.653,92 0.476,93 1.313,94 10.73,95 6.619,96 52.595,97 7.086,98 0.858,99 1.378,100 18.759,101 7.514,102 104.734,103 8.348,104 27,105 45,106 0.312,107 0.634,108 0.787,109 0.857,110 0.857,111 0.857,112 3.341,113 0.869,114 -5.58,115 -5.45,116 -5.09,117 1,119 48.7,127 1,133 7,134 5,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 10,161 1,162 3,163 2,164 2,166 3,168 15,172 3,176 1,178 11,182 6,185 1,187 5,190 6,192 2,194 7,199 3,202 8,204 2,206 3,209 1,210 1,211 5,212 1,213 7,215 3,217 3,222 6,224 8,226 4,234 2,237 6,239 1,242 1,247 1,250 4,252 1,255 1131,256 17.712,257 17.712,258 17.712,259 17.712,260 17.712,261 15.194,262 9.261,263 10.039,264 18.333,265 14.804,266 14.804,267 14.804,268 14.804,269 14.804,270 11.004,271 7.329,272 4.762,273 15.95,274 3.5,275 1.652,276 0.78,277 0.378,278 0.378,279 0.378,280 4.032,284 1,285 581,286 3.24,288 51.373,289 229.022,291 97.729,295 1.449,296 39.992,299 0.75,300 1,301 1,302 0.4,304 1,305 0.74,306 60.25,307 269,308 4.659,309 4.46,310 7.112,311 4.241,312 3.32,313 4.578,314 3.825,315 11.665,316 3.197,317 4.45,318 3.264,319 6.875,320 4.162,321 3.242,322 4.069,324 11.501,325 2.912,326 4.288,327 2.979,328 6.355,329 3.861,330 2.889,331 3.747,333 9.674,334 2.762,335 3.78,336 2.694,337 5.609,338 3.348,339 2.406,340 3.189,342 7.343,343 2.249,344 3.651,345 2.444,346 5.106,347 3.154,348 2.259,349 3.09,351 6.189,352 2.002,353 3.336,354 2.138,355 4.889,356 2.86,357 1.952,358 2.64,360 5.502,361 1.697,362 3.12,363 1.916,364 4.715,365 2.661,366 1.727,367 2.359,369 5.004,370 1.568,371 2.932,372 1.503,373 4.495,374 2.437,375 1.473,376 2.111,378 4.19,379 1.393,380 2.672,381 1.325,382 4.194,383 2.189,384 1.232,385 1.74,386 3.498,387 1.158,388 2.544,389 1.069,390 3.832,391 2,392 1.05,393 1.566,394 2.753,395 1,396 2.5,397 1,398 3.414,399 1.986,400 1,401 1.5,402 2.275,403 0.973,404 2.043,405 0.639,406 3.219,407 1.512,408 0.567,409 0.83,411 1.386,412 0.522,413 1.299,414 0.51,415 2.907,416 0.915,417 -0.022,418 -0.028,420 -0.055,421 -0.02,422 0.968,423 0.51,424 2.631,425 0.454,426 -0.369,427 -0.464,429 -0.903,430 -0.21,431 0.784,432 0.201,433 2.394,434 0.368,435 -0.591,436 -0.756,438 -1.431,439 -0.562,440 13.29,441 0.492,442 0.932,443 0.035,444 38,445 1.407,446 20.5,447 0.759,448 17.5,449 0.648,450 20.807,451 0.771,452 27.51,453 0.705,454 29.193,455 1.081,456 7.459,457 0.276,458 5.366,459 0.199,460 0.195,461 0.038,462 0.339,463 3,466 0.615,467 0.84,468 0.466,469 0.672,470 0.645,471 0.677,472 0.378,473 0.624,474 0.548,475 0.704,476 0.336,477 0.789,478 0.62,479 0.889,480 0.958,481 1.032,482 0.499,483 1.048,484 0.999,485 1.022,486 0.754,487 0.999,488 0.963,489 1.1,490 0.905,491 0.829,492 0.76,493 0.799,494 0.831,495 0.925,496 0.491,497 0.724,498 0.614,499 0.884,500 0.4,501 1.055,502 0.665,503 0.949,504 0.56,505 1.01,506 0.608,507 1.179,508 0.835,509 0.733,510 0.752,511 0.787,512 0.949,513 0.956,514 7,515 0.159,516 4,517 2.194,518 1.529,519 1.174,520 0.834,521 0.495,522 0.412,523 0.34,524 8245,525 33725,526 2.066,527 30.8,529 7,530 1,531 1,532 3,536 1.705,537 1.895,538 3.256,539 0.981,545 69.646,546 1.786,547 3.633,548 4.506,549 4.907,550 4.907,551 4.907,552 2.689,553 4.282,554 4.724,555 3.441,556 1207.66,557 8.223,558 14974.6,563 206.131,564 1.675,565 4.66,566 0.233,567 0.009,568 0.089,569 0.049,570 0.036,571 0.03,572 0.023,573 0.015,574 0.015,575 0.016,576 0.516,577 0.33,578 0.88,579 0.803,580 131.847,581 -0.076,582 -0.001,583 -0.008,584 0.066,585 -0.138,586 0.077,587 0.451,588 0.372,589 0.024,590 0.11,591 0.485,592 0.004,593 -0.04,594 -0.12,595 -0.087,596 -0.136,597 0.032,598 -0.116,599 -0.136,600 -0.094,601 -0.058,602 -0.117,603 -0.113,604 -0.164,605 -0.148,606 -0.005,607 -0.028,608 0.092,609 -0.115,610 0.072,611 -0.013,612 -0.053,613 -0.044,614 -0.098,615 0.001,616 -0.121,617 -0.032,618 -0.208,619 0.028,620 -0.183,621 -0.014,622 -0.196,623 0.178,624 0.176,625 0.101,626 0.193,627 0.061,628 0.158,629 5.636,630 4.835,631 0.778,632 23.119,633 1.038,634 1.137,635 4.349,636 18.914,637 0.737,638 3.434,639 3.829,640 4.094,641 4.382,642 4.644,643 4.804,644 4.963,645 5.063,646 5.142,647 5.236,648 5.942,649 0.729,650 433.25,651 3.434,652 5.017,653 5.883,654 6.795,655 7.682,656 8.595,657 9.492,658 10.406,659 11.307,660 12.222,661 10.3,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,698 1,699 39,700 22,701 2,702 30,703 1,704 42,705 19,706 18,707 5,708 7,710 4,711 5,715 1,718 1,721 18,722 1,734 3,736 12,737 6,738 3,739 8,740 1,743 4,747 0.75,755 1,756 1,759 1,760 3,762 1,777 3,780 1,783 3,785 27,786 1,795 1,800 4,808 14.25,809 7.055,810 5.639,811 2.13,812 4.477,813 1.581,814 1.065,815 4.353,816 12.186,817 3.738,818 4.434,819 5.082,820 5.74,821 6.342,822 6.757,823 7.252,824 7.693,825 8.043,826 8.461,827 0.857,828 45,829 10.334,831 4.92,832 8.222,833 18.181,835 15.16,837 2.722,838 73.5,842 105.94,843 117.358,844 129.208,847 44.88,849 163.313,850 105.94,851 128.134,854 108.278,855 45.342,856 91.84,857 15.814,858 82.398,859 53.714,860 105.94,861 200.612,862 44.88,864 45.954,865 105.94,866 44.88,869 38.248,870 128.793,871 33.571,872 45.954,873 150.82,874 83.254,875 163.313,878 113.699,879 25.17,880 84.429,881 62.74,882 111.349,883 105.94,884 128.134,885 163.313,887 0.604,888 0.341,889 0.179,890 0.102,891 24,892 11,893 0.048,894 2,895 1,896 1.095,897 3.739,898 243.904,899 0.095,900 21,901 119.627,904 17.873,905 6.576,906 3.396,907 1.819,908 111.349,909 13.997,910 8.367,911 3.175,914 2.824,916 49.683,917 397.387,918 41,926 40.476,927 44.345,928 0.338,929 0.687,930 0.852,931 0.928,932 0.928,933 0.928,934 5.001,935 1.473,936 5.932,937 5.004,938 4.511,939 5.121,940 3.037,941 6.819,942 4.38,943 6.268,944 1.232,945 7.548,946 4.19,947 4.369,948 5.075,949 3.903,950 8.021,951 4.075,952 7.616,953 1.05,954 9.272,955 3.498,956 6.229,957 7.427,958 5.42,959 11.062,960 5.984,961 9.002,962 1,963 11.059,964 2.753,965 6.858,966 8.164,967 6.69,968 13.046,969 6.473,970 10.416,971 0.567,972 12.888,973 2.275,974 8.269,975 10.024,976 8.058,977 15.678,978 7.901,979 11.851,980 -0.022,981 14.745,982 1.386,983 9.218,984 11.138,985 9.388,986 17.946,987 8.744,988 13.303,989 -0.369,990 16.622,991 -0.055,992 10.474,993 12.789,994 10.734,995 20.451,996 9.985,997 3.32,998 -0.591,999 18.514,1000 -0.903,1001 11.558,1002 14.095,1003 12.074,1004 22.825,1005 10.987,1006 3.242,1007 11.665,1008 20.417,1009 -1.431,1010 12.76,1011 15.654,1012 13.416,1013 25.288,1014 12.155,1015 2.889,1016 11.501,1017 22.329,1018 4.578,1019 13.9,1020 17.058,1021 14.758,1022 27.704,1023 13.229,1024 2.406,1025 9.674,1026 24.247,1027 4.069,1028 15.085,1029 18.579,1030 16.1,1031 30.154,1032 14.372,1033 2.259,1034 7.343,1035 26.171,1036 3.747,1037 16.249,1038 20.032,1039 17.441,1040 32.587,1041 15.479,1042 1.952,1043 6.189,1044 28.099,1045 3.189,1046 17.431,1047 21.54,1048 18.783,1049 35.033,1050 16.615,1051 1.727,1052 5.502,1053 30.03,1054 3.09,1055 18.606,1056 23.02,1057 20.124,1058 37.474,1059 17.739,1060 7947,1061 16213,1062 19.592,1063 28.756,1064 47.151,1065 46.286,1066 47.631,1067 46.66,1068 46.234,1069 62.838,1070 7.651,1071 141.959,1072 42.861,1073 5.39,1074 6.46,1075 6.526,1076 5.313,1077 5.32,1078 7.578,1079 5.335,1080 19.224,1081 5.197,1082 15.151,1083 1.572,1084 1.543,1085 1.588,1086 1.555,1087 1.541,1088 2.095,1089 0.255,1090 4.732,1091 1.429,1092 4.15,1093 4.18,1094 6.88,1095 4.079,1096 8.513,1097 4.082,1098 3.959,1099 3.986,1100 4.095,1101 3.892,1102 7.999,1103 3.892,1104 3.729,1105 3.778,1106 3.91,1107 3.584,1108 7.999,1109 3.6,1110 3.388,1111 3.436,1112 3.693,1113 3.298,1114 5.234,1115 3.278,1116 3.307,1117 3.357,1118 3.316,1119 3.012,1120 4.96,1121 3.067,1122 2.997,1123 3.084,1124 3.169,1125 2.842,1126 4.72,1127 2.832,1128 2.914,1129 2.982,1130 2.891,1131 2.735,1132 4.489,1133 2.715,1134 2.854,1135 2.925,1136 2.773,1137 2.655,1138 4.304,1139 2.69,1140 0.155,1141 0.149,1142 0.237,1143 0.141,1144 0.111,1145 4.659,1146 0.153,1147 4.46,1148 0.128,1149 7.112,1150 0.389,1151 4.241,1152 0.107,1153 3.32,1154 4.578,1155 3.825,1156 11.665,1157 3.197,1158 1.986,1159 1.967,1160 2.05,1161 2.067,1162 1.201,1163 2.062,1164 1.907,1165 1.887,1166 1.97,1167 1.982,1168 1.122,1169 1.987,1170 1.693,1171 1.655,1172 1.769,1173 1.87,1174 0.836,1175 1.844,1176 1.396,1177 1.335,1178 1.545,1179 1.63,1180 0.545,1181 1.613,1182 1.103,1183 1.057,1184 1.254,1185 1.433,1186 0.26,1187 1.356,1188 1.004,1189 0.97,1190 1.181,1191 1.227,1192 0.218,1193 1.198,1194 0.886,1195 0.821,1196 1.116,1197 1.088,1198 0.159,1199 1.107,1200 0.82,1201 0.737,1202 1.039,1203 1.062,1204 0.094,1205 1.1,1206 4.111,1208 5.485,1209 2.398,1210 7.045,1211 4.727,1212 8.688,1213 6.843,1214 10.374,1215 3.426,1218 38.506,1220 5.772,1228 -4.386,1231 28.422,1232 69.646,1233 141.685,1234 175.724,1235 191.376,1236 191.376,1237 191.376,1238 49.338,1239 7.708,1240 67.59,1241 67.59,1242 23,1243 12.736,1244 4.524,1245 3.585,1246 40.044,1247 93,1248 98,1249 0.209,1250 176.863,1251 299.31,1252 423.306,1253 23218,1254 10.3,1255 19.181,1256 0.71,1257 0.565,1258 17.681,1259 15.266,1260 12.826,1261 0.428,1262 0.29,1263 7.813,1264 11.722,1265 7.663,1266 6.272,1267 12.192,1268 8.692,1269 12.807,1270 0.285,1271 0.153,1272 11.666,1273 6.874,1274 10.093,1275 0.171,1276 0.08,1277 9.682,1278 4.723,1279 8.509,1280 0.108,1281 0.042,1282 8.279,1283 3.306,1284 6.992,1285 0.068,1286 0.022,1287 7.191,1288 2.315,1289 0.32,1290 89.18,1291 0.226,1292 25.468,1293 0.597,1294 150,1295 607.923,1296 239.576,1297 554.032,1298 725.61,1299 512,1300 179,1301 495.832,1302 224.401,1303 499.886,1304 753.71,1305 470,1306 5} {0 CHEMBL1802395,1 1.786,2 9.444,3 5.275,4 27.828,5 101.952,6 11.109,7 0.733,8 3.816,9 3.917,10 3.704,11 3.441,12 5.09,13 3.45,14 4.317,15 4.435,16 4.213,17 3.848,18 6.079,19 3.845,20 4.483,21 4.63,22 4.3,23 3.976,24 5.789,25 3.944,26 4.576,27 4.742,28 4.272,29 3.967,30 5.945,31 3.927,32 4.536,33 4.736,34 3.981,35 3.858,36 5.773,37 3.816,38 4.417,39 4.599,40 4.074,41 3.817,42 5.648,43 3.78,44 4.459,45 4.651,46 4.108,47 3.799,48 5.743,49 3.74,50 4.462,51 4.694,52 4.178,53 3.616,54 5.962,55 3.545,56 0.18,57 0.805,58 1.988,59 3.072,60 29.162,61 2.849,62 0.796,63 1.641,64 5.119,65 5.608,66 131.635,67 5.269,68 0.417,69 1.44,70 13.815,71 7.188,72 42.336,73 7.386,74 0.672,75 1.597,76 20.006,77 8.393,78 81.368,79 7.677,80 0.671,81 1.409,82 23.317,83 7.852,84 90.527,85 7.877,86 0.425,87 1.226,88 9.96,89 6.046,90 47.277,91 6.612,92 0.475,93 1.315,94 10.283,95 6.883,96 53.635,97 7.134,98 0.869,99 1.383,100 24.862,101 7.717,102 103.183,103 8.372,104 27,105 45,106 0.312,107 0.634,108 0.787,109 0.857,110 0.857,111 0.857,112 3.341,113 0.87,114 -5.58,115 -5.45,116 -5.09,117 1,119 48.7,127 1,133 7,134 5,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 11,161 1,162 3,163 2,164 2,166 2,168 13,172 3,176 3,178 11,182 6,185 1,187 4,190 8,192 2,194 6,199 3,202 6,204 2,206 5,209 1,210 1,211 5,212 1,213 8,215 3,217 1,222 5,224 7,226 3,229 2,234 4,237 7,239 3,250 5,255 1118,256 17.764,257 17.764,258 17.764,259 17.764,260 17.764,261 15.227,262 9.261,263 10.062,264 18.352,265 14.788,266 14.788,267 14.788,268 14.788,269 14.788,270 10.983,271 7.329,272 4.734,273 15.895,274 3.5,275 1.652,276 0.78,277 0.378,278 0.378,279 0.378,280 4.032,284 1,285 551,286 3.24,288 50.558,289 227.944,291 97.263,295 1.498,296 40.191,299 0.75,300 1,301 1,302 0.4,304 1,305 0.74,306 60.25,307 255,308 4.687,309 4.46,310 7.112,311 4.254,312 3.321,313 4.629,314 3.825,315 11.677,316 3.201,317 4.456,318 3.327,319 6.912,320 4.166,321 3.263,322 4.089,324 11.611,325 2.916,326 4.316,327 3.051,328 6.469,329 3.896,330 2.936,331 3.754,333 10.015,334 2.769,335 3.791,336 2.597,337 5.793,338 3.369,339 2.424,340 3.194,342 7.738,343 2.26,344 3.637,345 2.416,346 5.206,347 3.153,348 2.246,349 3.071,351 6.294,352 2.012,353 3.242,354 2.095,355 4.859,356 2.783,357 1.857,358 2.497,360 5.305,361 1.673,362 3.049,363 1.789,364 4.655,365 2.532,366 1.584,367 2.322,369 4.711,370 1.505,371 2.949,372 1.546,373 4.284,374 2.491,375 1.541,376 2.104,378 3.676,379 1.401,380 2.656,381 1.302,382 4.088,383 2.168,384 1.212,385 1.72,386 3.484,387 1.143,388 2.5,389 1,390 3.829,391 2,392 1,393 1.5,394 2.636,395 1,396 2.5,397 1,398 3.414,399 1.953,400 1,401 1.5,402 2.275,403 0.95,404 2.185,405 0.931,406 3.296,407 1.633,408 0.738,409 1.05,411 1.794,412 0.611,413 1.299,414 0.51,415 2.909,416 0.913,417 -0.023,418 -0.028,420 -0.055,421 -0.02,422 1.061,423 0.51,424 2.632,425 0.522,426 -0.302,427 -0.391,429 -0.689,430 -0.184,431 0.784,432 0.171,433 2.392,434 0.368,435 -0.59,436 -0.753,438 -1.429,439 -0.561,440 13.29,441 0.492,442 0.916,443 0.034,444 38,445 1.407,446 20.5,447 0.759,448 17.5,449 0.648,450 21.081,451 0.781,452 27.51,453 0.705,454 29.133,455 1.079,456 7.475,457 0.277,458 5.368,459 0.199,460 0.195,461 0.038,462 0.339,463 3,466 0.615,467 0.84,468 0.466,469 0.672,470 0.645,471 0.677,472 0.378,473 0.624,474 0.548,475 0.704,476 0.34,477 0.789,478 0.589,479 0.895,480 0.883,481 0.998,482 0.488,483 0.995,484 1.042,485 1,486 1.13,487 1.045,488 0.969,489 1.104,490 0.912,491 0.843,492 0.82,493 0.881,494 0.839,495 1,496 0.458,497 0.73,498 0.534,499 0.848,500 0.385,501 0.998,502 0.696,503 0.919,504 0.74,505 0.965,506 0.62,507 1.128,508 0.813,509 0.772,510 1.139,511 1.003,512 0.922,513 1.042,514 6.5,515 0.163,516 4.222,517 2.222,518 1.494,519 1.094,520 0.794,521 0.531,522 0.371,523 0.295,524 8153,525 33037,526 2.066,527 30.8,529 7,530 1,531 1,532 3,536 1.705,537 1.895,538 3.203,539 0.981,545 69.646,546 1.786,547 3.633,548 4.506,549 4.907,550 4.907,551 4.907,552 2.683,553 4.282,554 4.726,555 3.406,556 1195.42,557 8.227,558 14817.5,563 206.131,564 1.675,565 4.66,566 0.217,567 0.01,568 0.094,569 0.048,570 0.035,571 0.029,572 0.021,573 0.016,574 0.013,575 0.016,576 0.498,577 0.33,578 0.88,579 0.803,580 131.572,581 -0.076,582 -0.001,583 -0.008,584 0.066,585 -0.138,586 0.077,587 0.451,588 0.372,589 0.024,590 0.11,591 0.48,592 0.004,593 -0.009,594 -0.126,595 -0.011,596 -0.101,597 0.044,598 -0.062,599 -0.175,600 -0.07,601 -0.119,602 -0.079,603 -0.123,604 -0.159,605 -0.156,606 -0.02,607 -0.09,608 0.007,609 -0.123,610 -0.005,611 0.021,612 -0.059,613 0.038,614 -0.061,615 0.017,616 -0.063,617 -0.062,618 -0.177,619 0.021,620 -0.09,621 -0.027,622 -0.138,623 0.206,624 0.137,625 0.069,626 0.067,627 0.085,628 0.08,629 5.637,630 4.84,631 0.778,632 22.365,633 1.038,634 1.137,635 4.349,636 18.914,637 0.737,638 3.434,639 3.829,640 4.111,641 4.394,642 4.644,643 4.804,644 4.963,645 5.075,646 5.136,647 5.236,648 5.861,649 0.729,650 433.25,651 3.434,652 5.017,653 5.889,654 6.801,655 7.693,656 8.608,657 9.508,658 10.424,659 11.328,660 12.245,661 10.3,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,698 1,699 39,700 22,701 2,702 30,703 1,704 42,705 19,706 18,707 5,708 7,710 4,711 5,715 1,718 1,721 18,722 1,734 3,736 12,737 6,738 3,739 8,740 1,743 4,747 0.75,755 1,756 1,759 1,760 3,762 1,777 3,780 1,783 3,785 27,786 1,795 1,800 4,808 14.25,809 7.055,810 5.667,811 2.137,812 4.5,813 1.584,814 1.065,815 4.353,816 12.209,817 3.738,818 4.434,819 5.096,820 5.75,821 6.339,822 6.754,823 7.247,824 7.7,825 8.043,826 8.459,827 1,828 46,829 10.336,831 4.924,832 8.222,833 18.181,835 15.165,837 2.722,838 73.5,842 105.94,843 117.358,844 129.208,847 44.88,849 163.313,850 105.94,851 128.134,854 108.278,855 45.342,856 91.84,857 15.814,858 82.398,859 53.714,860 105.94,861 200.612,862 44.88,864 45.954,865 105.94,866 44.88,869 38.248,870 128.793,871 33.571,872 45.954,873 150.82,874 83.254,875 163.313,878 113.699,879 25.17,880 84.429,881 62.74,882 111.349,883 105.94,884 128.134,885 163.313,887 0.604,888 0.348,889 0.182,890 0.1,891 24,892 11,893 0.048,894 2,895 1,896 1.095,897 3.721,898 245.041,899 0.095,900 21,901 119.627,904 17.873,905 6.576,906 3.279,907 1.804,908 111.349,909 13.961,910 8.372,911 3.185,914 2.776,916 49.683,917 397.387,918 41,926 40.476,927 44.345,928 0.338,929 0.687,930 0.852,931 0.928,932 0.928,933 0.928,934 5.001,935 1.541,936 5.938,937 4.711,938 4.511,939 5.121,940 3.037,941 6.834,942 4.38,943 6.268,944 1.212,945 7.561,946 3.676,947 4.369,948 5.075,949 3.903,950 8.055,951 4.075,952 7.618,953 1,954 9.293,955 3.484,956 6.236,957 7.435,958 5.42,959 11.107,960 5.986,961 9.008,962 1,963 11.09,964 2.636,965 6.878,966 8.192,967 6.69,968 13.104,969 6.481,970 10.427,971 0.738,972 12.927,973 2.275,974 8.292,975 10.053,976 8.058,977 15.741,978 7.909,979 11.869,980 -0.023,981 14.791,982 1.794,983 9.253,984 11.191,985 9.388,986 18.015,987 8.757,988 13.327,989 -0.302,990 16.674,991 -0.055,992 10.51,993 12.843,994 10.734,995 20.524,996 9.997,997 3.321,998 -0.59,999 18.571,1000 -0.689,1001 11.601,1002 14.171,1003 12.074,1004 22.901,1005 11.002,1006 3.263,1007 11.677,1008 20.477,1009 -1.429,1010 12.805,1011 15.735,1012 13.416,1013 25.367,1014 12.171,1015 2.936,1016 11.611,1017 22.392,1018 4.629,1019 13.949,1020 17.157,1021 14.758,1022 27.785,1023 13.247,1024 2.424,1025 10.015,1026 24.312,1027 4.089,1028 15.137,1029 18.686,1030 16.1,1031 30.238,1032 14.391,1033 2.246,1034 7.738,1035 26.237,1036 3.754,1037 16.304,1038 20.155,1039 17.441,1040 32.673,1041 15.499,1042 1.857,1043 6.294,1044 28.165,1045 3.194,1046 17.487,1047 21.673,1048 18.783,1049 35.123,1050 16.637,1051 1.584,1052 5.305,1053 30.097,1054 3.071,1055 18.664,1056 23.166,1057 20.124,1058 37.566,1059 17.762,1060 7862,1061 15968,1062 19.592,1063 28.756,1064 47.136,1065 46.451,1066 47.833,1067 46.638,1068 46.243,1069 62.859,1070 7.651,1071 142.427,1072 42.88,1073 5.418,1074 6.46,1075 6.64,1076 5.326,1077 5.321,1078 7.629,1079 5.335,1080 19.304,1081 5.201,1082 15.048,1083 1.571,1084 1.548,1085 1.594,1086 1.555,1087 1.541,1088 2.095,1089 0.255,1090 4.748,1091 1.429,1092 4.15,1093 4.179,1094 6.881,1095 4.083,1096 8.513,1097 4.084,1098 3.959,1099 3.986,1100 4.083,1101 3.893,1102 7.999,1103 3.892,1104 3.729,1105 3.778,1106 3.905,1107 3.581,1108 7.999,1109 3.599,1110 3.381,1111 3.441,1112 3.691,1113 3.253,1114 5.234,1115 3.251,1116 3.307,1117 3.357,1118 3.316,1119 3.012,1120 4.958,1121 3.067,1122 3.002,1123 3.083,1124 3.251,1125 2.937,1126 4.72,1127 2.883,1128 2.92,1129 2.977,1130 2.871,1131 2.735,1132 4.489,1133 2.715,1134 2.854,1135 2.925,1136 2.716,1137 2.652,1138 4.295,1139 2.691,1140 0.156,1141 0.149,1142 0.237,1143 0.142,1144 0.111,1145 4.687,1146 0.154,1147 4.46,1148 0.128,1149 7.112,1150 0.389,1151 4.254,1152 0.107,1153 3.321,1154 4.629,1155 3.825,1156 11.677,1157 3.201,1158 1.986,1159 1.967,1160 2.05,1161 2.067,1162 1.202,1163 2.062,1164 1.907,1165 1.888,1166 1.97,1167 1.98,1168 1.123,1169 1.986,1170 1.693,1171 1.655,1172 1.767,1173 1.869,1174 0.836,1175 1.843,1176 1.396,1177 1.336,1178 1.539,1179 1.631,1180 0.544,1181 1.613,1182 1.103,1183 1.057,1184 1.258,1185 1.433,1186 0.287,1187 1.356,1188 1.015,1189 0.963,1190 1.181,1191 1.238,1192 0.218,1193 1.213,1194 0.886,1195 0.821,1196 1.175,1197 1.127,1198 0.161,1199 1.131,1200 0.82,1201 0.738,1202 1.04,1203 1.062,1204 0.061,1205 1.107,1206 4.111,1208 5.485,1209 2.398,1210 7.05,1211 4.727,1212 8.7,1213 6.862,1214 10.392,1215 3.492,1218 38.52,1220 5.776,1228 -4.387,1231 28.422,1232 69.646,1233 141.685,1234 175.724,1235 191.376,1236 191.376,1237 191.376,1238 49.761,1239 7.708,1240 67.59,1241 67.59,1242 23,1243 12.758,1244 4.524,1245 3.585,1246 40.021,1247 92,1248 91,1249 0.211,1250 176.863,1251 299.31,1252 423.306,1253 23216,1254 10.3,1255 19.181,1256 0.71,1257 0.565,1258 17.681,1259 15.266,1260 12.842,1261 0.428,1262 0.29,1263 7.819,1264 11.776,1265 7.671,1266 6.281,1267 12.208,1268 8.698,1269 12.701,1270 0.282,1271 0.151,1272 11.485,1273 6.785,1274 10.23,1275 0.171,1276 0.082,1277 10.011,1278 4.911,1279 8.626,1280 0.108,1281 0.043,1282 8.544,1283 3.445,1284 6.947,1285 0.067,1286 0.022,1287 7.114,1288 2.294,1289 0.323,1290 89.281,1291 0.226,1292 25.402,1293 0.607,1294 150,1295 607.923,1296 239.576,1297 553.896,1298 726.23,1299 512,1300 180,1301 496.832,1302 232.162,1303 500.752,1304 757.31,1305 471,1306 5.903} {0 CHEMBL1802396,1 1.639,2 8.56,3 4.317,4 18.632,5 102.442,6 9.882,7 0.786,8 3.818,9 3.925,10 3.632,11 3.444,12 5.005,13 3.427,14 4.281,15 4.416,16 4.048,17 3.839,18 5.442,19 3.802,20 4.452,21 4.604,22 4.191,23 3.981,24 5.538,25 3.913,26 4.507,27 4.668,28 4.286,29 4.001,30 5.606,31 3.919,32 4.566,33 4.763,34 4.104,35 3.954,36 5.621,37 3.872,38 4.516,39 4.7,40 4.168,41 3.921,42 5.663,43 3.85,44 4.518,45 4.722,46 4.178,47 3.861,48 5.627,49 3.759,50 4.444,51 4.681,52 3.737,53 3.662,54 5.47,55 3.503,56 0.048,57 0.58,58 4.537,59 3.125,60 8.303,61 3.581,62 0.192,63 0.908,64 10.251,65 5.541,66 19.512,67 6.366,68 0.155,69 1.05,70 17.488,71 7.093,72 16.384,73 8.096,74 0.176,75 1.114,76 19.932,77 7.617,78 18.885,79 8.879,80 0.226,81 1.177,82 30.831,83 8.436,84 24.381,85 9.957,86 0.301,87 1.157,88 15.912,89 7.154,90 27.134,91 8.572,92 0.243,93 1.118,94 24.147,95 7.608,96 29.49,97 8.931,98 0.364,99 0.981,100 35.533,101 8.277,102 36.946,103 9.493,104 11,105 40,106 0.285,107 0.645,108 0.801,109 0.887,110 0.895,111 0.895,112 3.269,113 0.91,114 -4.46,115 -4.39,116 -4.14,117 1,119 47.5,123 1,133 7,134 4,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 8,161 1,162 5,163 2,164 2,166 3,168 12,172 5,176 1,178 10,182 7,185 1,187 5,190 6,192 2,194 6,199 3,202 6,204 2,205 2,206 4,209 1,210 1,211 4,212 1,213 6,215 2,217 4,222 5,224 8,226 4,229 1,231 1,232 2,234 3,237 5,239 2,242 3,250 4,255 901,256 17.162,257 17.162,258 17.162,259 17.162,260 17.162,261 14.586,262 9.12,263 9.984,264 17.68,265 13.764,266 13.764,267 13.764,268 13.764,269 13.764,270 9.876,271 7.827,272 4.643,273 14.567,274 3.683,275 1.611,276 0.71,277 0.219,278 0.169,279 0.169,280 3.966,284 1,285 467,286 2.345,288 44.394,289 199.495,291 85.816,295 1.178,296 16.297,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 52.75,307 214,308 4.705,309 3.365,310 6.975,311 4.266,312 3.291,313 4.647,314 0.86,315 11.849,316 3.206,317 4.358,318 3.05,319 6.48,320 3.924,321 2.952,322 4.074,324 10.067,325 2.866,326 3.951,327 2.799,328 5.69,329 3.498,330 2.551,331 3.534,333 7.648,334 2.413,335 3.543,336 2.426,337 5.239,338 3.109,339 2.188,340 2.91,342 6.381,343 2.016,344 3.458,345 2.349,346 5.038,347 3.036,348 2.093,349 2.817,351 5.928,352 1.972,353 3.398,354 2.08,355 5.011,356 2.868,357 1.972,358 2.754,360 5.672,361 1.66,362 2.945,363 1.583,364 4.498,365 2.469,366 1.493,367 2.138,369 4.092,370 1.452,371 2.765,372 1.335,373 4.002,374 2.275,375 1.3,376 1.886,378 3.172,379 1.262,380 2.58,381 1.112,382 3.757,383 2.078,384 1.093,385 1.618,386 2.571,387 1.075,388 2.5,389 1,390 3.483,391 1.953,392 1,393 1.5,394 2.521,395 0.95,396 2.165,397 0.935,398 3.311,399 1.611,400 0.714,401 1.019,402 1.768,403 0.595,404 1.583,405 0.916,406 2.811,407 1.293,408 0.429,409 0.481,411 0.623,412 0.367,413 1.254,414 0.148,415 2.669,416 0.858,417 -0.077,418 -0.098,420 -0.19,421 -0.068,422 1.043,423 -0.018,424 2.42,425 0.5,426 -0.32,427 -0.413,429 -0.737,430 -0.192,431 0.767,432 -0.387,433 2.365,434 0.32,435 -0.626,436 -0.819,438 -1.486,439 -0.591,440 12.767,441 0.511,442 0.589,443 0.024,444 37.25,445 1.49,446 21,447 0.84,448 16.25,449 0.65,450 18.645,451 0.746,452 24.433,453 0.611,454 25.37,455 1.015,456 7.28,457 0.291,458 4.889,459 0.196,460 0.175,462 0.352,466 0.955,467 1.071,468 0.479,469 0.721,470 1.09,471 0.727,472 1.016,473 0.807,474 0.572,475 0.672,476 0.72,477 0.724,478 1.034,479 1.042,480 0.929,481 0.9,482 0.873,483 0.902,484 0.845,485 1.153,486 1.05,487 1.065,488 0.869,489 1.039,490 0.939,491 1.136,492 1.085,493 1.073,494 0.892,495 0.99,496 0.867,497 1.057,498 0.681,499 0.847,500 0.973,501 0.935,502 1.016,503 1.167,504 1.062,505 1.117,506 1.149,507 1.104,508 1.197,509 0.893,510 1.504,511 1.203,512 1.327,513 1.179,514 4.5,515 0.021,516 2.889,517 1.875,518 1.494,519 0.913,520 0.716,521 0.374,522 0.249,523 0.102,524 6411,525 19069,526 2.13,527 37.5,529 10,530 1,531 1,532 3,536 1.689,537 2,538 3.079,539 0.966,541 1,545 65.563,546 1.639,547 3.711,548 4.612,549 5.103,550 5.153,551 5.153,552 2.459,553 4.564,554 4.617,555 3.186,556 955.896,557 8.029,558 11144.3,560 1,562 1,563 212.877,564 1.388,565 4.579,566 0.161,567 0.004,568 0.072,569 0.045,570 0.036,571 0.023,572 0.018,573 0.012,574 0.012,575 0.008,576 0.392,577 0.33,578 1,579 0.739,580 117.277,581 -0.117,582 -0.003,583 -0.003,584 0.036,585 -0.233,586 0.054,587 0.005,588 0.22,589 0.023,590 0.152,591 0.109,592 0.116,593 -0.145,594 -0.043,595 -0.028,596 0.021,597 -0.089,598 -0.004,599 -0.006,600 -0.155,601 -0.009,602 -0.106,603 -0.052,604 -0.119,605 -0.055,606 -0.142,607 -0.07,608 -0.101,609 0.002,610 -0.025,611 0.138,612 -0.01,613 0.031,614 0.017,615 0.086,616 -0.041,617 -0.054,618 -0.153,619 0.005,620 -0.137,621 -0.022,622 -0.144,623 -0.037,624 0.062,625 -0.154,626 -0.1,627 -0.123,628 -0.128,629 1.428,630 1.881,631 0.84,632 17.485,633 1.007,634 1.113,635 3.232,636 10.443,637 0.735,638 3.367,639 3.714,640 4.043,641 4.369,642 4.625,643 4.736,644 4.875,645 4.99,646 5.024,647 5.05,648 5.198,649 0.7,650 395.28,651 3.367,652 4.92,653 5.796,654 6.698,655 7.595,656 8.506,657 9.412,658 10.326,659 11.236,660 12.152,661 10,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,697 1,698 1,699 40,700 22,701 2,702 28,703 1,704 43,705 19,706 18,707 5,708 7,710 4,711 5,721 18,722 1,733 1,736 15,737 4,738 3,739 6,740 1,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,780 1,781 1,785 25,786 1,791 1,800 1,801 2.5,806 1,808 12.5,809 7.543,810 5.5,811 2.176,812 4.472,813 1.593,814 1.05,815 4.195,816 12.012,817 3.689,818 4.373,819 5.059,820 5.736,821 6.325,822 6.71,823 7.19,824 7.657,825 7.983,826 8.36,827 0.833,828 42,829 9.149,831 3.877,832 7.65,833 17.467,835 14.315,837 2.15,838 53.75,841 1,842 141.253,843 122.54,844 129.208,846 11,849 168.494,850 152.253,851 83.254,852 10.883,854 108.278,855 45.342,856 60.018,857 15.814,858 117.711,859 45.954,860 141.253,861 205.794,862 11,864 45.954,865 141.253,866 11,869 30.489,870 141.734,871 33.571,872 45.954,873 141.253,874 94.254,875 168.494,878 141.253,879 27.228,880 95.312,881 62.74,882 77.468,883 141.253,884 94.254,885 168.494,887 0.582,888 0.354,889 0.203,890 0.115,891 21,892 9,893 0.07,894 3,895 1,896 1.095,897 3.588,898 222.218,899 0.095,900 21,901 116.096,904 16.124,905 6.505,906 2.9,907 2.086,908 77.468,909 17.54,910 8.712,911 3.292,914 5.618,916 49.683,917 404.001,918 39,926 40.265,927 44.535,928 0.308,929 0.697,930 0.867,931 0.959,932 0.968,933 0.968,934 4.916,935 1.3,936 5.79,937 4.092,938 4.394,939 5.059,940 0.908,941 6.648,942 4.293,943 6.155,944 1.093,945 7.373,946 3.172,947 4.007,948 4.913,950 7.647,951 3.845,952 7.484,953 1,954 9.059,955 2.571,956 6.023,957 7.371,958 0.739,959 10.8,960 5.859,961 8.854,962 0.714,963 10.808,964 2.521,965 6.479,966 8.083,968 12.667,969 6.273,970 10.257,971 0.429,972 12.598,973 1.768,974 7.96,975 9.988,976 0.593,977 15.348,978 7.751,979 11.685,980 -0.077,981 14.417,982 0.623,983 8.805,984 11.115,986 17.566,987 8.566,988 13.133,989 -0.32,990 16.259,991 -0.19,992 10.082,993 12.79,994 0.469,995 20.094,996 9.832,997 3.291,998 -0.626,999 18.117,1000 -0.737,1001 11.106,1002 14.123,1004 22.453,1005 10.831,1006 2.952,1007 11.849,1008 19.99,1009 -1.486,1010 12.308,1011 15.702,1012 0.366,1013 24.931,1014 12.016,1015 2.551,1016 10.067,1017 21.873,1018 4.647,1019 13.414,1020 17.134,1022 27.347,1023 13.097,1024 2.188,1025 7.648,1026 23.765,1027 4.074,1028 14.592,1029 18.674,1030 0.283,1031 29.811,1032 14.254,1033 2.093,1034 6.381,1035 25.664,1036 3.534,1037 15.734,1038 20.154,1040 32.252,1041 15.372,1042 1.972,1043 5.928,1044 27.568,1045 2.91,1046 16.906,1047 21.681,1048 0.217,1049 34.713,1050 16.522,1051 1.493,1052 5.672,1053 29.477,1054 2.817,1055 18.067,1056 23.184,1058 37.167,1059 17.657,1060 6142,1061 10709,1062 18.898,1063 29.398,1064 42.472,1065 42.852,1066 44.111,1067 42.305,1068 42.156,1069 58.757,1070 1.72,1071 124.583,1072 39.668,1073 5.428,1074 5.365,1075 6.564,1076 5.338,1077 5.291,1078 7.647,1079 1.72,1080 19.445,1081 5.206,1082 10.881,1083 1.517,1084 1.53,1085 1.575,1086 1.511,1087 1.506,1088 2.098,1089 0.061,1090 4.449,1091 1.417,1092 4.15,1093 4.178,1094 6.881,1095 4.084,1096 5.235,1097 4.084,1098 3.942,1099 3.968,1100 4.079,1101 3.874,1102 4.961,1103 3.874,1104 3.703,1105 3.752,1106 3.883,1107 3.555,1108 4.86,1109 3.572,1110 3.382,1111 3.44,1112 3.652,1113 3.249,1114 4.564,1115 3.248,1116 3.25,1117 3.316,1118 3.246,1119 2.973,1120 4.336,1121 2.988,1122 3.049,1123 3.137,1124 3.084,1125 2.943,1126 4.294,1127 2.89,1128 2.948,1129 2.988,1130 2.91,1131 2.835,1132 3.94,1133 2.837,1134 2.77,1135 2.848,1136 2.729,1137 2.624,1138 3.757,1139 2.6,1140 0.168,1141 0.12,1142 0.249,1143 0.152,1144 0.118,1145 4.705,1146 0.166,1147 3.365,1148 0.031,1149 6.975,1150 0.423,1151 4.266,1152 0.115,1153 3.291,1154 4.647,1155 0.86,1156 11.849,1157 3.206,1158 1.978,1159 1.961,1160 2.04,1161 2.06,1162 1.198,1163 2.055,1164 1.9,1165 1.879,1166 1.969,1167 1.981,1168 1.106,1169 1.986,1170 1.679,1171 1.64,1172 1.773,1173 1.856,1174 0.818,1175 1.836,1176 1.393,1177 1.333,1178 1.57,1179 1.621,1180 0.578,1181 1.606,1182 1.194,1183 1.12,1184 1.526,1185 1.507,1186 0.523,1187 1.526,1188 1.027,1189 0.967,1190 1.25,1191 1.283,1192 0.283,1193 1.286,1194 0.968,1195 0.903,1196 1.171,1197 1.143,1198 0.164,1199 1.157,1200 0.794,1201 0.723,1202 1.086,1203 0.99,1204 0.09,1205 1.028,1206 4.043,1208 5.38,1209 2.398,1210 6.925,1211 4.727,1212 8.566,1213 6.862,1214 10.258,1215 3.632,1216 1.649,1220 5.881,1224 5.341,1231 27.986,1232 65.563,1233 148.432,1234 184.471,1235 204.122,1236 206.122,1237 206.122,1238 29.69,1239 7.54,1240 76.82,1241 76.82,1242 23,1243 12.664,1244 4.524,1245 3.585,1246 35.563,1247 75,1248 86,1249 0.23,1250 177.265,1251 289.89,1252 424.286,1253 18776,1254 2.5,1255 17.389,1256 0.696,1257 0.602,1258 18.389,1259 15.04,1260 12.169,1261 0.435,1262 0.303,1263 7.648,1264 11.236,1265 7.406,1266 6.147,1267 12.746,1268 8.493,1269 10.934,1270 0.273,1271 0.161,1272 11.675,1273 6.442,1274 9.574,1275 0.171,1276 0.085,1277 10.248,1278 4.759,1279 8.376,1280 0.107,1281 0.045,1282 9.1,1283 3.509,1284 6.943,1285 0.069,1286 0.023,1287 7.492,1288 2.331,1289 0.344,1290 84.106,1291 0.23,1292 23.53,1293 0.684,1294 136,1295 379.325,1296 211.438,1297 411.751,1298 566.57,1299 386,1300 164,1301 403.377,1302 207.236,1303 426.606,1304 626.51,1305 401,1306 6.092} {0 CHEMBL1802397,1 1.639,2 8.6,3 4.317,4 18.632,5 102.442,6 9.882,7 0.786,8 3.818,9 3.925,10 3.632,11 3.444,12 5.004,13 3.427,14 4.281,15 4.416,16 4.048,17 3.839,18 5.446,19 3.802,20 4.452,21 4.603,22 4.096,23 3.965,24 5.54,25 3.898,26 4.502,27 4.672,28 4.069,29 3.96,30 5.576,31 3.882,32 4.562,33 4.767,34 4.182,35 3.95,36 5.61,37 3.877,38 4.518,39 4.697,40 4.098,41 3.904,42 5.678,43 3.834,44 4.512,45 4.726,46 4.024,47 3.843,48 5.578,49 3.74,50 4.442,51 4.683,52 4.019,53 3.666,54 5.5,55 3.525,56 0.048,57 0.58,58 4.537,59 3.125,60 8.251,61 3.581,62 0.192,63 0.908,64 10.251,65 5.541,66 19.431,67 6.366,68 0.161,69 1.051,70 20.347,71 7.15,72 16.888,73 8.116,74 0.16,75 1.123,76 17.28,77 7.375,78 19.026,79 8.824,80 0.208,81 1.182,82 20.45,83 7.922,84 23.092,85 9.803,86 0.328,87 1.153,88 23.379,89 7.339,90 28.901,91 8.622,92 0.207,93 1.128,94 17.788,95 7.409,96 27.722,97 8.893,98 0.375,99 0.979,100 27.749,101 7.735,102 37.359,103 9.311,104 11,105 40,106 0.285,107 0.645,108 0.81,109 0.895,110 0.895,111 0.895,112 3.269,113 0.909,114 -4.46,115 -4.39,116 -4.14,117 1,119 47.5,123 1,133 7,134 4,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 8,161 1,162 5,163 2,164 2,166 3,168 12,172 5,176 2,178 10,182 8,185 1,187 3,190 7,192 2,194 4,199 4,202 5,204 2,205 2,206 6,209 1,210 1,211 5,212 1,213 7,215 3,217 2,222 3,224 6,226 2,229 3,231 1,232 2,234 4,237 6,239 3,242 1,250 3,255 912,256 17.11,257 17.11,258 17.11,259 17.11,260 17.11,261 14.554,262 9.12,263 9.949,264 17.659,265 13.774,266 13.774,267 13.774,268 13.774,269 13.774,270 9.895,271 7.827,272 4.664,273 14.623,274 3.683,275 1.611,276 0.66,277 0.169,278 0.169,279 0.169,280 3.966,284 1,285 469,286 2.345,288 45.209,289 200.635,291 86.282,295 1.216,296 16.169,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 52.75,307 215,308 4.661,309 3.273,310 6.879,311 4.236,312 3.254,313 4.581,314 0.86,315 11.527,316 3.197,317 4.336,318 3.008,319 6.367,320 3.894,321 2.915,322 4.063,324 9.727,325 2.855,326 3.952,327 2.817,328 5.656,329 3.496,330 2.549,331 3.536,333 7.592,334 2.412,335 3.622,336 2.631,337 5.241,338 3.124,339 2.233,340 3.052,342 6.406,343 2.018,344 3.526,345 2.35,346 5.028,347 3.109,348 2.183,349 2.872,351 6.001,352 1.987,353 3.362,354 2.064,355 4.954,356 2.891,357 1.967,358 2.693,360 5.751,361 1.694,362 2.943,363 1.577,364 4.575,365 2.464,366 1.49,367 2.138,369 4.297,370 1.446,371 2.774,372 1.343,373 4.151,374 2.278,375 1.308,376 1.899,378 3.423,379 1.263,380 2.589,381 1.139,382 3.818,383 2.086,384 1.104,385 1.631,386 2.752,387 1.08,388 2.553,389 1.084,390 3.483,391 1.994,392 1.06,393 1.578,394 2.527,395 0.978,396 2.063,397 0.935,398 3.233,399 1.534,400 0.593,401 0.862,402 1.467,403 0.538,404 1.583,405 0.686,406 2.804,407 1.293,408 0.428,409 0.481,411 0.623,412 0.367,413 1.263,414 0.162,415 2.667,416 0.861,417 -0.074,418 -0.094,420 -0.181,421 -0.066,422 0.997,423 -0.019,424 2.418,425 0.484,426 -0.347,427 -0.44,429 -0.831,430 -0.21,431 0.687,432 -0.387,433 2.375,434 0.246,435 -0.702,436 -0.9,438 -1.489,439 -0.635,440 12.767,441 0.511,442 0.606,443 0.024,444 37.25,445 1.49,446 21,447 0.84,448 16.25,449 0.65,450 18.336,451 0.733,452 24.433,453 0.611,454 25.434,455 1.017,456 7.265,457 0.291,458 4.888,459 0.196,460 0.175,462 0.352,466 0.955,467 1.071,468 0.479,469 0.721,470 1.095,471 0.727,472 1.016,473 0.807,474 0.572,475 0.672,476 0.699,477 0.724,478 1.055,479 1.072,480 0.994,481 0.991,482 0.89,483 0.974,484 0.861,485 1.148,486 0.744,487 0.998,488 0.922,489 1.058,490 0.844,491 1.089,492 0.616,493 0.818,494 0.814,495 0.838,496 0.872,497 1.136,498 0.951,499 1.078,500 0.972,501 1.072,502 1.068,503 1.095,504 0.71,505 0.914,506 1.292,507 1.033,508 0.991,509 0.905,510 1.117,511 1.032,512 1.063,513 1.032,514 5,515 0.049,516 2.889,517 1.694,518 1.449,519 0.993,520 0.612,521 0.431,522 0.248,523 0.105,524 6495,525 19613,526 2.13,527 37.5,529 10,530 1,531 1,532 3,536 1.688,537 2,538 3.103,539 0.966,541 1,545 65.563,546 1.639,547 3.711,548 4.662,549 5.153,550 5.153,551 5.153,552 2.493,553 4.564,554 4.616,555 3.216,556 964.923,557 8.025,558 11283.4,560 1,562 1,563 212.877,564 1.388,565 4.579,566 0.179,567 0.008,568 0.072,569 0.041,570 0.037,571 0.025,572 0.016,573 0.014,574 0.011,575 0.009,576 0.412,577 0.33,578 1,579 0.739,580 117.585,581 -0.117,582 -0.003,583 -0.003,584 0.036,585 -0.237,586 0.054,587 0.005,588 0.22,589 0.023,590 0.152,591 0.13,592 0.116,593 -0.167,594 -0.074,595 -0.094,596 -0.072,597 -0.105,598 -0.077,599 -0.059,600 -0.146,601 -0.045,602 -0.128,603 -0.117,604 -0.152,605 0.008,606 -0.091,607 0.083,608 0.075,609 0.07,610 0.117,611 0.151,612 -0.093,613 -0.071,614 -0.173,615 0.095,616 -0.175,617 -0.143,618 -0.076,619 0.021,620 -0.02,621 -0.179,622 -0.086,623 0.155,624 0.051,625 0.057,626 0.026,627 0.14,628 0.015,629 1.425,630 1.875,631 0.84,632 17.978,633 1.007,634 1.113,635 3.232,636 10.443,637 0.735,638 3.367,639 3.714,640 4.025,641 4.344,642 4.625,643 4.736,644 4.868,645 5.004,646 5.011,647 5.069,648 5.277,649 0.7,650 395.28,651 3.367,652 4.92,653 5.79,654 6.688,655 7.581,656 8.487,657 9.389,658 10.299,659 11.205,660 12.117,661 10,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,697 1,698 1,699 40,700 22,701 2,702 28,703 1,704 43,705 19,706 18,707 5,708 7,710 4,711 5,721 18,722 1,733 1,736 15,737 4,738 3,739 6,740 1,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,780 1,781 1,785 25,786 1,791 1,800 1,801 2.5,806 1,808 12.5,809 7.543,810 5.472,811 2.169,812 4.457,813 1.591,814 1.05,815 4.195,816 11.997,817 3.689,818 4.373,819 5.044,820 5.718,821 6.328,822 6.715,823 7.191,824 7.666,825 7.973,826 8.376,827 0.833,828 41,829 9.148,831 3.875,832 7.65,833 17.467,835 14.311,837 2.15,838 53.75,841 1,842 141.253,843 122.54,844 129.208,846 11,849 168.494,850 152.253,851 83.254,852 10.883,854 108.278,855 45.342,856 60.018,857 15.814,858 117.711,859 45.954,860 141.253,861 205.794,862 11,864 45.954,865 141.253,866 11,869 30.489,870 141.734,871 33.571,872 45.954,873 141.253,874 94.254,875 168.494,878 141.253,879 27.228,880 95.312,881 62.74,882 77.468,883 141.253,884 94.254,885 168.494,887 0.583,888 0.347,889 0.196,890 0.117,891 21,892 9,893 0.07,894 3,895 1,896 1.095,897 3.608,898 220.88,899 0.095,900 21,901 116.096,904 16.124,905 6.505,906 3.011,907 2.101,908 77.468,909 17.609,910 8.703,911 3.288,914 5.653,916 49.683,917 404.001,918 39,926 40.265,927 44.535,928 0.308,929 0.697,930 0.876,931 0.968,932 0.968,933 0.968,934 4.916,935 1.308,936 5.784,937 4.297,938 4.394,939 5.059,940 0.908,941 6.627,942 4.293,943 6.155,944 1.104,945 7.358,946 3.423,947 4.007,948 4.913,950 7.582,951 3.845,952 7.482,953 1.06,954 9.032,955 2.752,956 6.014,957 7.362,958 0.739,959 10.718,960 5.856,961 8.847,962 0.593,963 10.765,964 2.527,965 6.447,966 8.051,968 12.53,969 6.262,970 10.244,971 0.428,972 12.538,973 1.467,974 7.926,975 9.956,976 0.593,977 15.195,978 7.739,979 11.664,980 -0.074,981 14.34,982 0.623,983 8.744,984 11.053,986 17.366,987 8.546,988 13.103,989 -0.347,990 16.164,991 -0.181,992 10.016,993 12.726,994 0.469,995 19.875,996 9.812,997 3.254,998 -0.702,999 18.005,1000 -0.831,1001 11.017,1002 14.031,1004 22.195,1005 10.804,1006 2.915,1007 11.527,1008 19.86,1009 -1.489,1010 12.21,1011 15.602,1012 0.366,1013 24.651,1014 11.988,1015 2.549,1016 9.727,1017 21.726,1018 4.581,1019 13.297,1020 17.01,1022 27.034,1023 13.064,1024 2.233,1025 7.592,1026 23.601,1027 4.063,1028 14.464,1029 18.539,1030 0.283,1031 29.473,1032 14.219,1033 2.183,1034 6.406,1035 25.483,1036 3.536,1037 15.591,1038 19.998,1040 31.885,1041 15.333,1042 1.967,1043 6.001,1044 27.372,1045 3.052,1046 16.752,1047 21.512,1048 0.217,1049 34.32,1050 16.48,1051 1.49,1052 5.751,1053 29.265,1054 2.872,1055 17.898,1056 22.997,1058 36.745,1059 17.612,1060 6219,1061 10920,1062 18.898,1063 29.398,1064 42.497,1065 42.794,1066 43.914,1067 42.343,1068 42.173,1069 58.77,1070 1.72,1071 124.183,1072 39.669,1073 5.384,1074 5.273,1075 6.468,1076 5.308,1077 5.254,1078 7.581,1079 1.72,1080 19.086,1081 5.197,1082 11.022,1083 1.518,1084 1.528,1085 1.568,1086 1.512,1087 1.506,1088 2.099,1089 0.061,1090 4.435,1091 1.417,1092 4.149,1093 4.179,1094 6.88,1095 4.078,1096 5.235,1097 4.081,1098 3.942,1099 3.968,1100 4.093,1101 3.873,1102 4.962,1103 3.873,1104 3.704,1105 3.752,1106 3.886,1107 3.561,1108 4.86,1109 3.575,1110 3.388,1111 3.436,1112 3.651,1113 3.294,1114 4.564,1115 3.275,1116 3.25,1117 3.316,1118 3.167,1119 2.973,1120 4.337,1121 2.988,1122 3.048,1123 3.137,1124 3.083,1125 2.867,1126 4.301,1127 2.864,1128 2.938,1129 2.995,1130 2.91,1131 2.825,1132 3.931,1133 2.817,1134 2.77,1135 2.848,1136 2.797,1137 2.623,1138 3.694,1139 2.6,1140 0.166,1141 0.117,1142 0.246,1143 0.151,1144 0.116,1145 4.661,1146 0.164,1147 3.273,1148 0.031,1149 6.879,1150 0.412,1151 4.236,1152 0.114,1153 3.254,1154 4.581,1155 0.86,1156 11.527,1157 3.197,1158 1.979,1159 1.961,1160 2.041,1161 2.061,1162 1.195,1163 2.056,1164 1.9,1165 1.879,1166 1.968,1167 1.981,1168 1.105,1169 1.985,1170 1.679,1171 1.64,1172 1.772,1173 1.855,1174 0.819,1175 1.836,1176 1.394,1177 1.332,1178 1.571,1179 1.624,1180 0.579,1181 1.609,1182 1.194,1183 1.12,1184 1.533,1185 1.507,1186 0.524,1187 1.526,1188 1.019,1189 0.975,1190 1.242,1191 1.276,1192 0.251,1193 1.28,1194 0.964,1195 0.903,1196 1.132,1197 1.111,1198 0.165,1199 1.129,1200 0.794,1201 0.723,1202 1.087,1203 0.99,1204 0.102,1205 1.028,1206 4.043,1208 5.38,1209 2.398,1210 6.919,1211 4.727,1212 8.55,1213 6.843,1214 10.232,1215 3.533,1216 1.65,1220 5.875,1224 5.339,1231 27.986,1232 65.563,1233 148.432,1234 186.471,1235 206.122,1236 206.122,1237 206.122,1238 29.325,1239 7.54,1240 76.82,1241 76.82,1242 23,1243 12.632,1244 4.524,1245 3.585,1246 35.584,1247 76,1248 86,1249 0.226,1250 177.265,1251 289.89,1252 424.286,1253 18778,1254 2.5,1255 17.389,1256 0.696,1257 0.602,1258 18.389,1259 15.04,1260 12.152,1261 0.434,1262 0.303,1263 7.642,1264 11.188,1265 7.398,1266 6.138,1267 12.73,1268 8.487,1269 11.03,1270 0.276,1271 0.163,1272 11.847,1273 6.53,1274 9.504,1275 0.173,1276 0.083,1277 10.029,1278 4.58,1279 8.141,1280 0.107,1281 0.043,1282 8.58,1283 3.252,1284 6.997,1285 0.069,1286 0.023,1287 7.579,1288 2.372,1289 0.34,1290 84.005,1291 0.23,1292 23.596,1293 0.669,1294 136,1295 379.325,1296 211.438,1297 411.888,1298 565.95,1299 386,1300 163,1301 402.377,1302 200.583,1303 425.742,1304 622.87,1305 400,1306 5.248} {0 CHEMBL1802398,1 1.639,2 9.08,3 4.317,4 18.632,5 102.442,6 9.882,7 0.786,8 3.818,9 3.925,10 3.632,11 3.444,12 5.004,13 3.427,14 4.281,15 4.416,16 4.048,17 3.839,18 5.446,19 3.802,20 4.452,21 4.603,22 4.096,23 3.965,24 5.539,25 3.898,26 4.502,27 4.671,28 4.087,29 3.951,30 5.584,31 3.877,32 4.562,33 4.767,34 4.067,35 3.944,36 5.605,37 3.866,38 4.513,39 4.701,40 3.951,41 3.876,42 5.655,43 3.811,44 4.51,45 4.727,46 3.921,47 3.803,48 5.582,49 3.709,50 4.436,51 4.687,52 3.836,53 3.644,54 5.445,55 3.501,56 0.048,57 0.58,58 4.537,59 3.125,60 8.251,61 3.581,62 0.192,63 0.908,64 10.251,65 5.541,66 19.431,67 6.366,68 0.161,69 1.051,70 20.347,71 7.15,72 16.721,73 8.116,74 0.175,75 1.121,76 18.128,77 7.276,78 19.268,79 8.787,80 0.199,81 1.184,82 22.462,83 8.08,84 23.531,85 9.861,86 0.306,87 1.161,88 17.869,89 7.041,90 28.059,91 8.547,92 0.221,93 1.13,94 17.734,95 7.139,96 29.04,97 8.81,98 0.339,99 0.989,100 21.391,101 7.536,102 35.591,103 9.272,104 11,105 40,106 0.285,107 0.645,108 0.81,109 0.895,110 0.895,111 0.895,112 3.268,113 0.909,114 -4.46,115 -4.39,116 -4.14,117 1,119 47.5,123 1,133 7,134 4,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 8,161 1,162 5,163 2,164 2,166 3,168 13,172 5,176 1,178 9,182 8,185 1,187 5,190 6,192 2,194 5,199 3,202 7,204 2,205 2,206 4,209 1,210 1,211 5,212 1,213 6,215 3,217 4,222 4,224 7,226 3,229 1,231 1,232 2,234 2,237 4,239 1,242 3,247 1,250 4,252 1,255 917,256 17.11,257 17.11,258 17.11,259 17.11,260 17.11,261 14.554,262 9.12,263 9.947,264 17.659,265 13.774,266 13.774,267 13.774,268 13.774,269 13.774,270 9.895,271 7.827,272 4.66,273 14.623,274 3.683,275 1.611,276 0.66,277 0.169,278 0.169,279 0.169,280 3.966,284 1,285 495,286 2.345,288 45.209,289 201.007,291 86.282,295 1.222,296 16.105,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 52.75,307 227,308 4.659,309 3.268,310 6.877,311 4.235,312 3.252,313 4.578,314 0.86,315 11.515,316 3.196,317 4.337,318 3.01,319 6.364,320 3.894,321 2.916,322 4.065,324 9.717,325 2.855,326 3.956,327 2.829,328 5.669,329 3.501,330 2.555,331 3.54,333 7.635,334 2.414,335 3.659,336 2.636,337 5.267,338 3.166,339 2.268,340 3.105,342 6.534,343 2.026,344 3.523,345 2.349,346 5.065,347 3.109,348 2.183,349 2.862,351 6.088,352 2.001,353 3.262,354 2.014,355 4.878,356 2.792,357 1.876,358 2.553,360 5.426,361 1.627,362 2.984,363 1.564,364 4.532,365 2.482,366 1.51,367 2.206,369 4.27,370 1.461,371 2.823,372 1.445,373 4.196,374 2.338,375 1.374,376 1.964,378 3.578,379 1.306,380 2.589,381 1.135,382 3.833,383 2.091,384 1.105,385 1.632,386 2.776,387 1.085,388 2.542,389 1.063,390 3.483,391 1.984,392 1.047,393 1.563,394 2.526,395 0.972,396 2.042,397 0.935,398 3.218,399 1.511,400 0.565,401 0.828,402 1.383,403 0.52,404 1.583,405 0.638,406 2.807,407 1.293,408 0.428,409 0.481,411 0.623,412 0.367,413 1.259,414 0.176,415 2.668,416 0.86,417 -0.075,418 -0.096,420 -0.185,421 -0.067,422 0.965,423 -0.019,424 2.421,425 0.452,426 -0.372,427 -0.467,429 -0.908,430 -0.215,431 0.757,432 -0.387,433 2.373,434 0.274,435 -0.664,436 -0.872,438 -1.488,439 -0.608,440 12.767,441 0.511,442 0.606,443 0.024,444 37.25,445 1.49,446 21,447 0.84,448 16.25,449 0.65,450 18.193,451 0.728,452 24.433,453 0.611,454 25.449,455 1.018,456 7.265,457 0.291,458 4.888,459 0.196,460 0.175,462 0.352,466 0.955,467 1.071,468 0.479,469 0.721,470 1.095,471 0.727,472 1.016,473 0.807,474 0.572,475 0.672,476 0.699,477 0.724,478 1.055,479 1.072,480 0.994,481 0.991,482 0.896,483 0.974,484 0.805,485 1.188,486 0.733,487 1.049,488 0.882,489 1.08,490 0.916,491 1.078,492 0.684,493 0.85,494 0.862,495 0.881,496 0.868,497 1.103,498 0.584,499 0.925,500 0.989,501 1.024,502 0.992,503 1.152,504 0.543,505 0.958,506 1.23,507 1.076,508 1.046,509 0.829,510 0.74,511 0.815,512 1.217,513 0.956,514 5,515 0.062,516 2.889,517 1.819,518 1.449,519 0.993,520 0.652,521 0.395,522 0.314,523 0.113,524 6563,525 20053,526 2.13,527 37.5,529 10,530 1,531 1,532 3,536 1.687,537 2,538 3.151,539 0.966,541 1,545 65.563,546 1.639,547 3.711,548 4.662,549 5.153,550 5.153,551 5.153,552 2.613,553 4.324,554 4.615,555 3.259,556 977.61,557 8.019,558 11394.7,560 1,562 1,563 212.877,564 1.388,565 4.579,566 0.179,567 0.01,568 0.072,569 0.044,570 0.037,571 0.025,572 0.018,573 0.013,574 0.014,575 0.008,576 0.421,577 0.33,578 1,579 0.739,580 117.828,581 -0.117,582 -0.003,583 -0.003,584 0.036,585 -0.237,586 0.054,587 0.005,588 0.22,589 0.023,590 0.152,591 0.13,592 0.116,593 -0.167,594 -0.074,595 -0.094,596 -0.072,597 -0.111,598 -0.077,599 -0.001,600 -0.186,601 -0.034,602 -0.181,603 -0.076,604 -0.175,605 -0.066,606 -0.08,607 0.014,608 0.043,609 0.023,610 0.074,611 0.119,612 -0.055,613 -0.044,614 -0.108,615 0.067,616 -0.139,617 -0.083,618 -0.131,619 0.02,620 -0.11,621 -0.119,622 -0.136,623 0.06,624 0.134,625 0.074,626 0.152,627 -0.029,628 0.077,629 1.423,630 1.871,631 0.84,632 18.602,633 1.007,634 1.113,635 3.232,636 10.443,637 0.735,638 3.367,639 3.714,640 4.025,641 4.344,642 4.615,643 4.736,644 4.875,645 4.997,646 5.03,647 5.056,648 5.356,649 0.7,650 395.28,651 3.367,652 4.92,653 5.79,654 6.688,655 7.58,656 8.487,657 9.387,658 10.297,659 11.202,660 12.114,661 10,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,697 1,698 1,699 40,700 22,701 2,702 28,703 1,704 43,705 19,706 18,707 5,708 7,710 4,711 5,721 18,722 1,733 1,736 15,737 4,738 3,739 6,740 1,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,780 1,781 1,785 25,786 1,791 1,800 1,801 2.5,806 1,808 12.5,809 7.543,810 5.472,811 2.169,812 4.46,813 1.592,814 1.05,815 4.195,816 12.001,817 3.689,818 4.373,819 5.044,820 5.718,821 6.322,822 6.715,823 7.199,824 7.662,825 7.983,826 8.37,827 1,828 41,829 9.147,831 3.874,832 7.65,833 17.467,835 14.311,837 2.15,838 53.75,841 1,842 141.253,843 122.54,844 129.208,846 11,849 168.494,850 152.253,851 83.254,852 10.883,854 108.278,855 45.342,856 60.018,857 15.814,858 117.711,859 45.954,860 141.253,861 205.794,862 11,864 45.954,865 141.253,866 11,869 30.489,870 141.734,871 33.571,872 45.954,873 141.253,874 94.254,875 168.494,878 141.253,879 27.228,880 95.312,881 62.74,882 77.468,883 141.253,884 94.254,885 168.494,887 0.583,888 0.347,889 0.196,890 0.115,891 21,892 9,893 0.07,894 3,895 1,896 1.095,897 3.618,898 220.317,899 0.095,900 21,901 116.096,904 16.124,905 6.505,906 3.011,907 2.101,908 77.468,909 17.622,910 8.698,911 3.292,914 5.682,916 49.683,917 404.001,918 39,926 40.265,927 44.535,928 0.308,929 0.697,930 0.876,931 0.968,932 0.968,933 0.968,934 4.916,935 1.374,936 5.784,937 4.27,938 4.394,939 5.059,940 0.908,941 6.627,942 4.293,943 6.155,944 1.105,945 7.358,946 3.578,947 4.007,948 4.913,950 7.582,951 3.845,952 7.482,953 1.047,954 9.032,955 2.776,956 6.014,957 7.362,958 0.739,959 10.717,960 5.856,961 8.847,962 0.565,963 10.765,964 2.526,965 6.447,966 8.051,968 12.529,969 6.262,970 10.244,971 0.428,972 12.538,973 1.383,974 7.926,975 9.956,976 0.593,977 15.192,978 7.739,979 11.664,980 -0.075,981 14.34,982 0.623,983 8.744,984 11.053,986 17.362,987 8.546,988 13.103,989 -0.372,990 16.164,991 -0.185,992 10.016,993 12.726,994 0.469,995 19.869,996 9.811,997 3.252,998 -0.664,999 18.005,1000 -0.908,1001 11.016,1002 14.03,1004 22.188,1005 10.803,1006 2.916,1007 11.515,1008 19.859,1009 -1.488,1010 12.209,1011 15.601,1012 0.366,1013 24.642,1014 11.987,1015 2.555,1016 9.717,1017 21.725,1018 4.578,1019 13.295,1020 17.008,1022 27.024,1023 13.063,1024 2.268,1025 7.635,1026 23.599,1027 4.065,1028 14.461,1029 18.537,1030 0.283,1031 29.462,1032 14.217,1033 2.183,1034 6.534,1035 25.481,1036 3.54,1037 15.587,1038 19.994,1040 31.872,1041 15.331,1042 1.876,1043 6.088,1044 27.369,1045 3.105,1046 16.746,1047 21.508,1048 0.217,1049 34.306,1050 16.478,1051 1.51,1052 5.426,1053 29.262,1054 2.862,1055 17.892,1056 22.991,1058 36.73,1059 17.61,1060 6283,1061 11095,1062 18.898,1063 29.398,1064 42.493,1065 42.779,1066 43.907,1067 42.336,1068 42.162,1069 58.756,1070 1.72,1071 124.142,1072 39.66,1073 5.382,1074 5.268,1075 6.466,1076 5.306,1077 5.252,1078 7.578,1079 1.72,1080 19.079,1081 5.196,1082 11.115,1083 1.518,1084 1.528,1085 1.568,1086 1.512,1087 1.506,1088 2.098,1089 0.061,1090 4.434,1091 1.416,1092 4.149,1093 4.179,1094 6.88,1095 4.078,1096 5.235,1097 4.08,1098 3.942,1099 3.968,1100 4.093,1101 3.874,1102 4.962,1103 3.873,1104 3.704,1105 3.752,1106 3.885,1107 3.563,1108 4.86,1109 3.576,1110 3.387,1111 3.436,1112 3.649,1113 3.294,1114 4.564,1115 3.275,1116 3.25,1117 3.316,1118 3.17,1119 2.973,1120 4.337,1121 2.988,1122 3.048,1123 3.138,1124 3.084,1125 2.85,1126 4.3,1127 2.857,1128 2.939,1129 2.994,1130 2.92,1131 2.826,1132 3.928,1133 2.815,1134 2.77,1135 2.848,1136 2.799,1137 2.624,1138 3.719,1139 2.6,1140 0.166,1141 0.117,1142 0.246,1143 0.151,1144 0.116,1145 4.659,1146 0.164,1147 3.268,1148 0.031,1149 6.877,1150 0.411,1151 4.235,1152 0.114,1153 3.252,1154 4.578,1155 0.86,1156 11.515,1157 3.196,1158 1.979,1159 1.961,1160 2.042,1161 2.062,1162 1.195,1163 2.056,1164 1.9,1165 1.879,1166 1.967,1167 1.979,1168 1.105,1169 1.984,1170 1.679,1171 1.64,1172 1.768,1173 1.855,1174 0.819,1175 1.835,1176 1.394,1177 1.332,1178 1.572,1179 1.629,1180 0.579,1181 1.614,1182 1.194,1183 1.12,1184 1.539,1185 1.507,1186 0.525,1187 1.526,1188 1.02,1189 0.973,1190 1.245,1191 1.278,1192 0.256,1193 1.282,1194 0.964,1195 0.904,1196 1.116,1197 1.096,1198 0.164,1199 1.114,1200 0.794,1201 0.723,1202 1.083,1203 0.99,1204 0.095,1205 1.028,1206 4.043,1208 5.38,1209 2.398,1210 6.919,1211 4.727,1212 8.55,1213 6.843,1214 10.232,1215 3.497,1216 1.65,1220 5.871,1224 5.337,1231 27.986,1232 65.563,1233 148.432,1234 186.471,1235 206.122,1236 206.122,1237 206.122,1238 29.276,1239 7.54,1240 76.82,1241 76.82,1242 23,1243 12.63,1244 4.524,1245 3.585,1246 35.625,1247 77,1248 86,1249 0.224,1250 177.265,1251 289.89,1252 424.286,1253 18778,1254 2.5,1255 17.389,1256 0.696,1257 0.602,1258 18.389,1259 15.04,1260 12.152,1261 0.434,1262 0.303,1263 7.642,1264 11.188,1265 7.398,1266 6.138,1267 12.73,1268 8.487,1269 11.03,1270 0.276,1271 0.163,1272 11.847,1273 6.53,1274 9.498,1275 0.173,1276 0.083,1277 10.022,1278 4.58,1279 8.188,1280 0.108,1281 0.043,1282 8.657,1283 3.258,1284 6.916,1285 0.069,1286 0.023,1287 7.401,1288 2.303,1289 0.337,1290 84.005,1291 0.23,1292 23.657,1293 0.657,1294 136,1295 379.325,1296 211.438,1297 411.888,1298 565.95,1299 386,1300 163,1301 402.377,1302 200.583,1303 425.742,1304 622.87,1305 400,1306 5.086} {0 CHEMBL1802399,1 1.639,2 8.6,3 4.317,4 18.632,5 102.442,6 9.882,7 0.786,8 3.818,9 3.925,10 3.632,11 3.444,12 5.005,13 3.427,14 4.281,15 4.416,16 4.048,17 3.839,18 5.441,19 3.802,20 4.452,21 4.603,22 4.208,23 3.971,24 5.546,25 3.908,26 4.507,27 4.668,28 4.183,29 3.995,30 5.601,31 3.909,32 4.561,33 4.766,34 3.958,35 3.927,36 5.596,37 3.85,38 4.514,39 4.701,40 4.079,41 3.883,42 5.666,43 3.822,44 4.512,45 4.726,46 4.024,47 3.843,48 5.578,49 3.74,50 4.442,51 4.683,52 4.019,53 3.666,54 5.5,55 3.525,56 0.048,57 0.58,58 4.537,59 3.125,60 8.303,61 3.581,62 0.192,63 0.908,64 10.251,65 5.541,66 19.345,67 6.366,68 0.169,69 1.048,70 18.335,71 6.993,72 16.626,73 8.059,74 0.167,75 1.117,76 21.944,77 7.774,78 19.324,79 8.937,80 0.205,81 1.185,82 25.32,83 8.137,84 23.539,85 9.882,86 0.315,87 1.159,88 15.857,89 6.883,90 28.452,91 8.489,92 0.207,93 1.128,94 17.788,95 7.409,96 27.722,97 8.893,98 0.375,99 0.979,100 27.749,101 7.735,102 37.359,103 9.311,104 11,105 40,106 0.285,107 0.645,108 0.801,109 0.887,110 0.895,111 0.895,112 3.269,113 0.91,114 -4.46,115 -4.39,116 -4.14,117 1,119 47.5,123 1,133 7,134 4,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 9,161 1,162 5,163 2,164 2,166 2,168 11,172 5,176 3,178 9,182 8,185 1,187 4,190 8,192 2,194 4,199 3,202 5,204 2,205 2,206 6,209 1,210 1,211 5,212 1,213 7,215 3,217 2,222 3,224 6,226 2,229 3,231 1,232 2,234 4,237 6,239 3,242 1,250 3,255 906,256 17.162,257 17.162,258 17.162,259 17.162,260 17.162,261 14.586,262 9.12,263 9.97,264 17.678,265 13.758,266 13.758,267 13.758,268 13.758,269 13.758,270 9.874,271 7.827,272 4.631,273 14.568,274 3.683,275 1.611,276 0.71,277 0.219,278 0.169,279 0.169,280 3.966,284 1,285 469,286 2.345,288 44.394,289 199.929,291 85.816,295 1.216,296 16.211,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 52.75,307 215,308 4.687,309 3.328,310 6.914,311 4.25,312 3.273,313 4.629,314 0.86,315 11.634,316 3.201,317 4.367,318 3.075,319 6.475,320 3.927,321 2.959,322 4.086,324 10.047,325 2.864,326 3.969,327 2.828,328 5.826,329 3.52,330 2.574,331 3.551,333 7.94,334 2.422,335 3.643,336 2.518,337 5.359,338 3.169,339 2.254,340 3.083,342 6.736,343 2.037,344 3.517,345 2.349,346 5.098,347 3.109,348 2.181,349 2.851,351 6.109,352 2.005,353 3.076,354 1.868,355 4.821,356 2.61,357 1.678,358 2.328,360 4.983,361 1.515,362 3.042,363 1.549,364 4.294,365 2.52,366 1.547,367 2.279,369 3.683,370 1.503,371 2.803,372 1.471,373 4.088,374 2.323,375 1.361,376 1.934,378 3.581,379 1.291,380 2.58,381 1.116,382 3.83,383 2.08,384 1.094,385 1.619,386 2.654,387 1.076,388 2.5,389 1,390 3.483,391 1.953,392 1,393 1.5,394 2.524,395 0.95,396 2.184,397 0.935,398 3.296,399 1.632,400 0.737,401 1.048,402 1.792,403 0.609,404 1.583,405 0.93,406 2.81,407 1.293,408 0.429,409 0.481,411 0.623,412 0.367,413 1.258,414 0.139,415 2.669,416 0.858,417 -0.075,418 -0.096,420 -0.186,421 -0.067,422 1.058,423 -0.018,424 2.418,425 0.521,426 -0.305,427 -0.394,429 -0.695,430 -0.189,431 0.749,432 -0.387,433 2.367,434 0.297,435 -0.65,436 -0.847,438 -1.487,439 -0.606,440 12.767,441 0.511,442 0.589,443 0.024,444 37.25,445 1.49,446 21,447 0.84,448 16.25,449 0.65,450 18.458,451 0.738,452 24.433,453 0.611,454 25.389,455 1.016,456 7.28,457 0.291,458 4.889,459 0.196,460 0.175,462 0.352,466 0.955,467 1.071,468 0.479,469 0.721,470 1.09,471 0.727,472 1.016,473 0.807,474 0.572,475 0.672,476 0.727,477 0.724,478 0.974,479 1.084,480 0.917,481 0.955,482 0.831,483 0.926,484 0.922,485 1.141,486 1.122,487 1.099,488 0.919,489 1.084,490 0.935,491 1.105,492 0.741,493 0.93,494 0.908,495 0.945,496 0.791,497 1.114,498 0.512,499 0.891,500 0.91,501 0.978,502 1.068,503 1.095,504 0.71,505 0.914,506 1.292,507 1.033,508 0.991,509 0.905,510 1.117,511 1.032,512 1.063,513 1.032,514 4.5,515 0.049,516 3.111,517 1.847,518 1.414,519 0.913,520 0.612,521 0.431,522 0.248,523 0.105,524 6479,525 19509,526 2.13,527 37.5,529 10,530 1,531 1,532 3,536 1.688,537 2,538 3.101,539 0.966,541 1,545 65.563,546 1.639,547 3.711,548 4.612,549 5.103,550 5.153,551 5.153,552 2.493,553 4.374,554 4.616,555 3.216,556 964.814,557 8.024,558 11258.2,560 1,562 1,563 212.877,564 1.388,565 4.579,566 0.161,567 0.008,568 0.078,569 0.044,570 0.035,571 0.024,572 0.016,573 0.014,574 0.011,575 0.009,576 0.4,577 0.33,578 1,579 0.739,580 117.536,581 -0.117,582 -0.003,583 -0.003,584 0.036,585 -0.233,586 0.054,587 0.005,588 0.22,589 0.023,590 0.152,591 0.102,592 0.116,593 -0.083,594 -0.086,595 -0.016,596 -0.035,597 -0.046,598 -0.028,599 -0.085,600 -0.143,601 -0.084,602 -0.14,603 -0.103,604 -0.165,605 -0.085,606 -0.107,607 -0.045,608 -0.039,609 -0.024,610 0.009,611 0.198,612 -0.067,613 0.03,614 -0.073,615 0.147,616 -0.092,617 -0.143,618 -0.076,619 0.021,620 -0.02,621 -0.179,622 -0.086,623 0.155,624 0.051,625 0.057,626 0.026,627 0.14,628 0.015,629 1.425,630 1.875,631 0.84,632 17.949,633 1.007,634 1.113,635 3.232,636 10.443,637 0.735,638 3.367,639 3.714,640 4.043,641 4.357,642 4.615,643 4.736,644 4.875,645 5.011,646 5.024,647 5.063,648 5.269,649 0.7,650 395.28,651 3.367,652 4.92,653 5.796,654 6.696,655 7.592,656 8.5,657 9.405,658 10.317,659 11.226,660 12.14,661 10,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,697 1,698 1,699 40,700 22,701 2,702 28,703 1,704 43,705 19,706 18,707 5,708 7,710 4,711 5,721 18,722 1,733 1,736 15,737 4,738 3,739 6,740 1,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,780 1,781 1,785 25,786 1,791 1,800 1,801 2.5,806 1,808 12.5,809 7.543,810 5.5,811 2.176,812 4.483,813 1.595,814 1.05,815 4.195,816 12.023,817 3.689,818 4.373,819 5.059,820 5.729,821 6.319,822 6.712,823 7.194,824 7.67,825 7.982,826 8.371,827 0.833,828 42,829 9.148,831 3.876,832 7.65,833 17.467,835 14.315,837 2.15,838 53.75,841 1,842 141.253,843 122.54,844 129.208,846 11,849 168.494,850 152.253,851 83.254,852 10.883,854 108.278,855 45.342,856 60.018,857 15.814,858 117.711,859 45.954,860 141.253,861 205.794,862 11,864 45.954,865 141.253,866 11,869 30.489,870 141.734,871 33.571,872 45.954,873 141.253,874 94.254,875 168.494,878 141.253,879 27.228,880 95.312,881 62.74,882 77.468,883 141.253,884 94.254,885 168.494,887 0.583,888 0.354,889 0.2,890 0.113,891 21,892 9,893 0.07,894 3,895 1,896 1.095,897 3.599,898 221.432,899 0.095,900 21,901 112.096,904 16.124,905 6.505,906 2.9,907 2.086,908 77.468,909 17.572,910 8.703,911 3.303,914 5.648,916 49.683,917 404.001,918 39,926 40.265,927 44.535,928 0.308,929 0.697,930 0.867,931 0.959,932 0.968,933 0.968,934 4.916,935 1.361,936 5.79,937 3.683,938 4.394,939 5.059,940 0.908,941 6.645,942 4.293,943 6.155,944 1.094,945 7.373,946 3.581,947 4.007,948 4.913,950 7.636,951 3.845,952 7.484,953 1,954 9.059,955 2.654,956 6.023,957 7.371,958 0.739,959 10.78,960 5.859,961 8.854,962 0.737,963 10.806,964 2.524,965 6.479,966 8.083,968 12.624,969 6.272,970 10.257,971 0.429,972 12.593,973 1.792,974 7.958,975 9.986,976 0.593,977 15.294,978 7.749,979 11.685,980 -0.075,981 14.409,982 0.623,983 8.798,984 11.111,986 17.482,987 8.561,988 13.131,989 -0.305,990 16.245,991 -0.186,992 10.072,993 12.783,994 0.469,995 19.996,996 9.826,997 3.273,998 -0.65,999 18.097,1000 -0.695,1001 11.089,1002 14.111,1004 22.326,1005 10.822,1006 2.959,1007 11.634,1008 19.962,1009 -1.487,1010 12.286,1011 15.686,1012 0.366,1013 24.788,1014 12.005,1015 2.574,1016 10.047,1017 21.836,1018 4.629,1019 13.384,1020 17.111,1022 27.179,1023 13.083,1024 2.254,1025 7.94,1026 23.719,1027 4.086,1028 14.555,1029 18.648,1030 0.283,1031 29.624,1032 14.239,1033 2.181,1034 6.736,1035 25.608,1036 3.551,1037 15.69,1038 20.121,1040 32.042,1041 15.354,1042 1.678,1043 6.109,1044 27.502,1045 3.083,1046 16.855,1047 21.644,1048 0.217,1049 34.484,1050 16.502,1051 1.547,1052 4.983,1053 29.401,1054 2.851,1055 18.008,1056 23.142,1058 36.916,1059 17.635,1060 6206,1061 10884,1062 18.898,1063 29.398,1064 42.479,1065 42.871,1066 44.11,1067 42.315,1068 42.172,1069 58.777,1070 1.72,1071 124.612,1072 39.68,1073 5.41,1074 5.328,1075 6.503,1076 5.322,1077 5.273,1078 7.629,1079 1.72,1080 19.266,1081 5.201,1082 10.989,1083 1.517,1084 1.531,1085 1.575,1086 1.511,1087 1.506,1088 2.099,1089 0.061,1090 4.45,1091 1.417,1092 4.149,1093 4.178,1094 6.881,1095 4.082,1096 5.235,1097 4.083,1098 3.942,1099 3.968,1100 4.081,1101 3.874,1102 4.96,1103 3.874,1104 3.704,1105 3.752,1106 3.879,1107 3.559,1108 4.86,1109 3.574,1110 3.381,1111 3.44,1112 3.648,1113 3.25,1114 4.564,1115 3.248,1116 3.25,1117 3.316,1118 3.251,1119 2.973,1120 4.336,1121 2.988,1122 3.049,1123 3.137,1124 3.085,1125 2.937,1126 4.291,1127 2.887,1128 2.948,1129 2.988,1130 2.912,1131 2.835,1132 3.938,1133 2.838,1134 2.77,1135 2.848,1136 2.73,1137 2.624,1138 3.761,1139 2.6,1140 0.167,1141 0.119,1142 0.247,1143 0.152,1144 0.117,1145 4.687,1146 0.165,1147 3.328,1148 0.031,1149 6.914,1150 0.416,1151 4.25,1152 0.114,1153 3.273,1154 4.629,1155 0.86,1156 11.634,1157 3.201,1158 1.979,1159 1.961,1160 2.043,1161 2.062,1162 1.196,1163 2.056,1164 1.899,1165 1.88,1166 1.967,1167 1.976,1168 1.106,1169 1.983,1170 1.679,1171 1.64,1172 1.765,1173 1.854,1174 0.819,1175 1.834,1176 1.393,1177 1.332,1178 1.571,1179 1.63,1180 0.578,1181 1.613,1182 1.194,1183 1.12,1184 1.535,1185 1.507,1186 0.524,1187 1.526,1188 1.027,1189 0.967,1190 1.251,1191 1.284,1192 0.284,1193 1.287,1194 0.968,1195 0.903,1196 1.171,1197 1.14,1198 0.165,1199 1.155,1200 0.794,1201 0.723,1202 1.086,1203 0.99,1204 0.09,1205 1.028,1206 4.043,1208 5.38,1209 2.398,1210 6.925,1211 4.727,1212 8.564,1213 6.862,1214 10.253,1215 3.574,1216 1.65,1220 5.875,1224 5.339,1231 27.986,1232 65.563,1233 148.432,1234 184.471,1235 204.122,1236 206.122,1237 206.122,1238 29.622,1239 7.54,1240 76.82,1241 76.82,1242 23,1243 12.653,1244 4.524,1245 3.585,1246 35.595,1247 76,1248 86,1249 0.227,1250 177.265,1251 289.89,1252 424.286,1253 18776,1254 2.5,1255 17.389,1256 0.696,1257 0.602,1258 18.389,1259 15.04,1260 12.169,1261 0.435,1262 0.303,1263 7.648,1264 11.241,1265 7.406,1266 6.147,1267 12.746,1268 8.493,1269 10.924,1270 0.273,1271 0.161,1272 11.666,1273 6.442,1274 9.634,1275 0.172,1276 0.085,1277 10.351,1278 4.769,1279 8.305,1280 0.108,1281 0.044,1282 8.923,1283 3.397,1284 6.871,1285 0.069,1286 0.023,1287 7.324,1288 2.282,1289 0.341,1290 84.106,1291 0.23,1292 23.584,1293 0.671,1294 136,1295 379.325,1296 211.438,1297 411.751,1298 566.57,1299 386,1300 164,1301 403.377,1302 208.344,1303 426.607,1304 626.47,1305 401,1306 6.071} {0 CHEMBL1802400,1 1.766,2 7.737,3 1.961,4 3.844,5 70.544,6 9.116,7 0.762,8 3.505,9 3.621,10 3.228,11 3.024,12 4.852,13 3.06,14 3.932,15 4.055,16 3.59,17 3.409,18 5.429,19 3.43,20 4.105,21 4.273,22 3.567,23 3.477,24 5.381,25 3.479,26 4.131,27 4.299,28 3.472,29 3.406,30 5.443,31 3.393,32 4.053,33 4.258,34 3.326,35 3.233,36 5.343,37 3.215,38 3.9,39 4.116,40 3.139,41 3.019,42 5.229,43 3.011,44 3.625,45 3.868,46 2.684,47 2.657,48 4.85,49 2.616,50 3.291,51 3.535,52 2.517,53 2.191,54 4.801,55 2.228,56 0.173,57 0.482,58 3.692,59 1.869,60 10.156,61 1.997,62 0.28,63 0.721,64 6.099,65 3.363,66 42.824,67 3.679,68 0.279,69 0.801,70 8.889,71 3.859,72 23.64,73 4.37,74 0.366,75 0.763,76 9.72,77 4.216,78 45.357,79 4.574,80 0.381,81 0.676,82 10.671,83 3.745,84 41.243,85 4.674,86 0.326,87 0.563,88 9.653,89 3.213,90 38.281,91 3.914,92 0.266,93 0.408,94 7.995,95 2.375,96 34.564,97 3.03,98 0.234,99 0.268,100 6.057,101 1.448,102 26.083,103 2.005,104 11,105 30,106 0.332,107 0.687,108 0.823,109 0.876,110 0.876,111 0.876,112 3.011,113 0.785,114 -2.89,115 -2.9,116 -2.8,119 42.9,133 4,134 2,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,155 2,159 3,161 2,162 5,163 2,164 2,166 3,168 5,172 6,176 1,178 4,182 5,185 2,187 4,190 1,192 2,194 6,197 2,199 1,202 2,204 1,206 3,209 1,210 1,211 1,212 1,215 1,216 1,217 3,222 2,226 2,228 2,229 2,241 1,244 1,245 1,255 380,256 12.723,257 12.723,258 12.723,259 12.723,260 12.723,261 10.577,262 8.116,263 7.387,264 12.998,265 10.36,266 10.36,267 10.36,268 10.36,269 10.36,270 7.167,271 7.643,272 3.492,273 10.79,274 3.041,275 1.152,276 0.429,277 0.143,278 0.143,279 0.143,280 3.688,284 1,285 314,286 2.449,288 36.352,289 97.084,291 67.261,295 1.435,296 22.916,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 42.5,307 147,308 4.621,309 3.781,310 6.719,311 4.161,312 3.178,313 4.569,314 2.612,315 10.943,316 3.124,317 4.197,318 3.155,319 5.984,320 3.706,321 2.741,322 3.847,324 8.484,325 2.644,326 3.957,327 2.63,328 5.679,329 3.424,330 2.482,331 3.577,333 7.476,334 2.339,335 3.452,336 2.208,337 5.021,338 2.987,339 2.045,340 2.804,342 5.857,343 1.919,344 3.04,345 1.838,346 4.49,347 2.491,348 1.518,349 2.288,351 4.249,352 1.474,353 2.964,354 1.521,355 4.009,356 2.357,357 1.377,358 2.141,360 3.366,361 1.348,362 2.698,363 1.276,364 3.754,365 2.131,366 1.167,367 1.773,369 2.713,370 1.123,371 2.524,372 1.044,373 3.471,374 1.955,375 1,376 1.525,378 2.461,379 0.953,380 2.008,381 1,382 3.201,383 1.473,384 0.511,385 0.761,386 1.284,387 0.49,388 1,389 0.547,390 2.468,391 0.537,392 -0.395,393 -0.503,394 -0.88,395 -0.366,396 0.963,397 -0.246,398 2.331,399 0.384,400 -0.574,401 -0.772,402 -1.53,403 -0.549,404 0.83,405 -0.404,406 2,407 0.252,408 -0.724,409 -1.051,411 -2,412 -0.705,413 0.746,414 -0.67,415 2,416 0.01,417 -0.956,418 -1.423,420 -2.122,421 -0.922,422 0.538,423 -0.939,424 1.895,426 -1,427 -1.812,429 -2.615,430 -1,431 0.01,432 -1.252,433 1.556,434 -0.408,435 -1.345,436 -2,438 -3.404,439 -1.242,440 8.667,441 0.456,442 0.524,443 0.028,444 30.5,445 1.605,446 17.5,447 0.921,448 13,449 0.684,450 9.363,451 0.493,452 19.533,453 0.698,454 19.981,455 1.052,456 6.117,457 0.322,458 3.031,459 0.16,460 0.123,462 0.392,466 0.558,467 1.094,468 0.632,469 0.768,470 0.617,471 0.714,472 0.472,473 0.996,474 0.664,475 0.965,476 0.354,477 0.89,478 0.827,479 1.104,480 0.931,481 1.039,482 0.559,483 0.998,484 1.049,485 1.072,486 1.156,487 1.201,488 1.076,489 1.222,490 0.856,491 1.107,492 1.026,493 1.087,494 0.844,495 1.102,496 1.041,497 0.978,498 1.051,499 1.063,500 1.037,501 1.059,502 1.086,503 0.993,504 1.211,505 1.058,506 1.053,507 1.138,508 1.033,509 0.973,510 0.934,511 0.9,512 1.038,513 0.867,514 4,515 0.025,516 2.444,517 1.382,518 1.041,519 0.531,520 0.409,521 0.189,522 0.107,523 0.084,524 3124,525 11763,526 2.081,527 32.1,529 4,530 1,531 1,532 3,536 1.603,537 1.932,538 2.976,539 1.251,541 1,543 1,545 49.447,546 1.766,547 3.655,548 4.379,549 4.664,550 4.664,551 4.664,552 2.465,553 3.827,554 4.217,555 3.097,556 529.575,557 7.184,558 5050.61,559 1,560 1,562 1,563 134.606,564 1.462,565 4.171,566 0.19,567 0.006,568 0.081,569 0.048,570 0.042,571 0.025,572 0.024,573 0.019,574 0.013,575 0.014,576 0.463,577 0.67,578 1,579 0.868,580 81.374,581 0.1,582 0.065,583 0.013,584 0.164,585 -0.09,586 0.09,587 0.221,588 0.101,589 0.042,590 0.012,591 0.264,592 -0.019,593 -0.145,594 -0.072,595 -0.099,596 -0.061,597 0.008,598 -0.049,599 -0.156,600 -0.108,601 -0.252,602 -0.209,603 -0.171,604 -0.257,605 0.016,606 -0.182,607 -0.003,608 -0.103,609 -0.028,610 -0.069,611 -0.087,612 -0.072,613 0.024,614 -0.089,615 -0.093,616 -0.019,617 -0.145,618 -0.12,619 -0.055,620 -0.09,621 -0.146,622 -0.053,623 0.156,624 -0.114,625 0.312,626 0.014,627 0.156,628 0.183,629 2.428,630 3.721,631 0.789,632 13.368,633 1.033,634 1.134,635 1.664,636 2.769,637 0.695,638 3.091,639 3.434,640 3.714,641 3.989,642 4.205,643 4.304,644 4.443,645 4.5,646 4.394,647 4.369,648 4.731,649 0.7,650 255.26,651 3.091,652 4.635,653 5.493,654 6.382,655 7.262,656 8.157,657 9.046,658 9.944,659 10.838,660 11.738,661 17.9,665 1,669 1,671 2,672 1,674 2,675 6,676 2,677 1,680 4,682 16,691 1,694 1,699 28,700 18,701 1,702 21,704 30,705 12,706 12,707 3,708 3,710 3,711 4,721 12,724 2,726 1,728 2,733 1,736 9,737 5,738 3,739 7,743 5,747 0.667,748 2,755 1,756 1,759 1,760 2,762 1,777 2,785 19,786 1,801 7.1,807 2,808 9.833,809 5.017,810 4.111,811 1.472,812 3.352,813 1.501,814 1.03,815 2.652,816 10.038,817 3.466,818 4.155,819 4.786,820 5.433,821 6.011,822 6.434,823 6.938,824 7.354,825 7.556,826 7.897,827 1,828 29,829 6.926,831 3.003,832 8.158,833 12.64,835 10.243,837 2.658,838 50.5,842 70.627,843 71.315,844 88.924,846 50.747,849 71.315,850 121.374,851 88.924,852 5.67,854 79.85,855 45.342,856 37.105,857 15.814,858 47.084,859 50.747,860 70.627,861 160.239,862 50.747,865 70.627,867 50.747,869 30.489,870 90.509,871 39.241,873 70.627,874 139.671,875 71.315,878 70.627,879 15.315,880 61.67,881 16.786,882 117.215,883 70.627,884 139.671,885 71.315,887 0.589,888 0.342,889 0.182,890 0.1,891 16,892 7,893 0.067,894 2,895 1,896 1.133,897 3.116,898 143.4,899 0.133,900 15,901 78.711,904 11.625,905 4.335,906 2.023,907 1.532,908 117.215,909 9.698,910 7.97,911 2.996,914 1.739,916 49.683,917 281.612,918 31,920 -0.428,922 21.441,926 28.931,927 31.741,928 0.367,929 0.76,930 0.911,931 0.97,932 0.97,933 0.97,934 4.682,935 1,936 5.493,937 2.713,938 4.111,939 4.84,940 2.501,941 6.323,942 4.038,943 5.932,944 0.511,945 7.066,946 2.461,947 3.761,948 4.783,949 2.361,950 7.265,951 3.663,952 7.265,953 -0.395,954 8.738,955 1.284,956 5.72,957 7.166,958 4.154,959 10.366,960 5.588,961 8.638,962 -0.574,963 10.468,964 -0.88,965 6.176,966 7.932,967 4.506,968 12.145,969 6.029,970 10.04,971 -0.724,972 12.236,973 -1.53,974 7.63,975 9.788,976 5.948,977 14.769,978 7.456,979 11.464,980 -0.956,981 14.03,982 -2,983 8.45,984 10.936,985 6.556,986 16.894,987 8.268,988 12.905,989 -1,990 15.843,991 -2.122,992 9.705,993 12.581,994 7.794,995 19.358,996 9.501,997 3.178,998 -1.345,999 17.67,1000 -2.615,1001 10.695,1002 13.913,1003 8.548,1004 21.632,1005 10.483,1006 2.741,1007 10.943,1008 19.509,1009 -3.404,1010 11.871,1011 15.47,1012 9.67,1013 24.043,1014 11.642,1015 2.482,1016 8.484,1017 21.357,1018 4.569,1019 12.941,1020 16.892,1021 10.509,1022 26.382,1023 12.702,1024 2.045,1025 7.476,1026 23.213,1027 3.847,1028 14.09,1029 18.416,1030 11.563,1031 28.776,1032 13.837,1033 1.518,1034 5.857,1035 25.075,1036 3.577,1037 15.198,1038 19.882,1039 12.452,1040 31.143,1041 14.934,1042 1.377,1043 4.249,1044 26.943,1045 2.804,1046 16.34,1047 21.394,1048 13.468,1049 33.533,1050 16.062,1051 1.167,1052 3.366,1053 28.815,1054 2.288,1055 17.467,1056 22.883,1057 14.386,1058 35.913,1059 17.177,1060 3094,1061 6104,1062 13.929,1063 19.46,1064 32.351,1065 33.427,1066 33.228,1067 32.057,1068 32.039,1069 46.569,1070 5.225,1071 93.667,1072 30.831,1073 5.276,1074 5.781,1075 6.272,1076 5.232,1077 5.178,1078 7.569,1079 4.612,1080 18.132,1081 5.124,1082 9.179,1083 1.541,1084 1.592,1085 1.582,1086 1.527,1087 1.526,1088 2.218,1089 0.249,1090 4.46,1091 1.468,1092 4.158,1093 4.19,1094 4.127,1095 4.061,1096 7.815,1097 4.072,1098 3.819,1099 3.867,1100 3.79,1101 3.635,1102 6.999,1103 3.661,1104 3.645,1105 3.687,1106 3.62,1107 3.323,1108 5.237,1109 3.377,1110 3.176,1111 3.227,1112 3.086,1113 2.881,1114 4.942,1115 2.924,1116 3.04,1117 3.147,1118 2.907,1119 2.766,1120 4.58,1121 2.803,1122 2.869,1123 2.925,1124 2.764,1125 2.649,1126 4.223,1127 2.689,1128 2.548,1129 2.635,1130 2.442,1131 2.301,1132 3.927,1133 2.328,1134 2.314,1135 2.386,1136 2.176,1137 2.136,1138 3.64,1139 2.149,1140 0.22,1141 0.18,1142 0.32,1143 0.198,1144 0.151,1145 4.621,1146 0.218,1147 3.781,1148 0.124,1149 6.719,1150 0.521,1151 4.161,1152 0.149,1153 3.178,1154 4.569,1155 2.612,1156 10.943,1157 3.124,1158 1.964,1159 1.944,1160 2.031,1161 2.104,1162 1.175,1163 2.07,1164 1.768,1165 1.724,1166 1.855,1167 1.963,1168 0.871,1169 1.932,1170 1.398,1171 1.336,1172 1.554,1173 1.707,1174 0.537,1175 1.629,1176 1.238,1177 1.205,1178 1.288,1179 1.613,1180 0.281,1181 1.558,1182 0.954,1183 0.859,1184 1.241,1185 1.296,1186 0.113,1187 1.297,1188 0.835,1189 0.776,1190 1.087,1191 1.034,1193 1.051,1194 0.545,1195 0.486,1196 0.78,1197 0.838,1199 0.851,1200 0.362,1201 0.29,1202 0.632,1203 0.639,1205 0.636,1206 3.761,1208 5.094,1209 2.398,1210 6.621,1211 4.727,1212 8.237,1213 6.843,1214 9.9,1220 5.551,1231 19.59,1232 49.447,1233 102.341,1234 122.606,1235 130.606,1236 130.606,1237 130.606,1238 26.86,1239 6.686,1240 113.41,1241 113.41,1242 17,1243 12.261,1244 4.248,1245 3.459,1246 27.801,1247 54,1248 48,1249 0.268,1250 122.243,1251 197.84,1252 290.033,1253 6001,1255 13.405,1256 0.706,1257 0.511,1258 13.405,1259 9.7,1260 9.148,1261 0.436,1262 0.262,1263 5.391,1264 8.66,1265 5.323,1266 4.407,1267 9.148,1268 5.494,1269 8.514,1270 0.284,1271 0.133,1272 8.514,1273 3.989,1274 7.028,1275 0.176,1276 0.071,1277 7.028,1278 2.826,1279 5.901,1280 0.111,1281 0.037,1282 5.901,1283 1.963,1284 4.691,1285 0.071,1286 0.019,1287 4.691,1288 1.267,1289 0.406,1290 58.391,1291 0.268,1292 18.731,1293 0.777,1294 102,1295 360.052,1296 114.865,1297 350.042,1298 471.4,1299 322,1300 121,1301 356.464,1302 133.147,1303 355.253,1304 513.49,1305 333,1306 5.959} {0 CHEMBL1802401,1 1.766,2 7.105,3 1.961,4 3.844,5 70.544,6 9.116,7 0.762,8 3.505,9 3.621,10 3.228,11 3.024,12 4.853,13 3.06,14 3.932,15 4.055,16 3.59,17 3.409,18 5.425,19 3.43,20 4.106,21 4.273,22 3.6,23 3.479,24 5.362,25 3.486,26 4.146,27 4.304,28 3.585,29 3.427,30 5.541,31 3.441,32 4.131,33 4.322,34 3.376,35 3.289,36 5.49,37 3.284,38 3.898,39 4.124,40 3.083,41 2.994,42 5.165,43 2.97,44 3.645,45 3.874,46 2.858,47 2.685,48 5.069,49 2.684,50 3.368,51 3.599,52 2.528,53 2.245,54 4.807,55 2.278,56 0.173,57 0.482,58 3.692,59 1.869,60 10.267,61 1.997,62 0.28,63 0.721,64 6.099,65 3.363,66 42.241,67 3.679,68 0.28,69 0.807,70 8.96,71 3.918,72 27.973,73 4.513,74 0.388,75 0.791,76 9.212,77 3.89,78 37.378,79 4.193,80 0.401,81 0.699,82 11.414,83 4.154,84 49.799,85 4.653,86 0.362,87 0.561,88 10.222,89 3.277,90 48.85,91 4.061,92 0.287,93 0.425,94 7.552,95 2.123,96 28.891,97 2.762,98 0.24,99 0.28,100 6.551,101 1.827,102 30.281,103 2.209,104 11,105 30,106 0.332,107 0.687,108 0.823,109 0.876,110 0.876,111 0.876,112 3.012,113 0.786,114 -2.89,115 -2.9,116 -2.8,119 42.9,133 4,134 2,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,155 2,159 4,161 2,162 4,163 2,164 2,166 2,168 4,172 5,174 1,176 2,178 3,182 8,185 3,187 4,190 2,192 2,194 6,199 1,202 1,204 1,205 1,206 3,209 1,210 1,211 1,212 1,213 1,215 1,216 2,217 3,222 1,226 1,228 1,229 1,231 1,232 1,234 1,239 1,241 2,244 2,245 2,255 377,256 12.776,257 12.776,258 12.776,259 12.776,260 12.776,261 10.609,262 8.116,263 7.448,264 13.043,265 10.36,266 10.36,267 10.36,268 10.36,269 10.36,270 7.161,271 7.643,272 3.489,273 10.784,274 3.041,275 1.152,276 0.429,277 0.143,278 0.143,279 0.143,280 3.688,284 1,285 288,286 2.449,288 34.057,289 95.348,291 65.966,295 1.175,296 23.619,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 42.5,307 135,308 4.69,309 3.807,310 6.862,311 4.221,312 3.241,313 4.661,314 2.612,315 11.423,316 3.177,317 4.203,318 3.148,319 6.247,320 3.742,321 2.779,322 3.844,324 9.226,325 2.678,326 3.875,327 2.643,328 5.492,329 3.325,330 2.386,331 3.466,333 6.93,334 2.24,335 3.411,336 2.231,337 4.965,338 2.899,339 1.947,340 2.743,342 5.575,343 1.845,344 3.047,345 1.695,346 4.431,347 2.521,348 1.547,349 2.319,351 3.905,352 1.505,353 2.965,354 1.547,355 4.009,356 2.355,357 1.374,358 2.14,360 3.422,361 1.346,362 2.683,363 1.241,364 3.726,365 2.145,366 1.181,367 1.762,369 2.741,370 1.136,371 2.5,372 1,373 3.471,374 1.952,375 1,376 1.5,378 2.455,379 0.95,380 2.077,381 1,382 3.213,383 1.518,384 0.557,385 0.841,386 1.394,387 0.534,388 1,389 0.689,390 2.469,391 0.535,392 -0.395,393 -0.503,394 -0.882,395 -0.366,396 0.97,397 -0.245,398 2.343,399 0.425,400 -0.537,401 -0.745,402 -1.385,403 -0.514,404 0.9,405 -0.343,406 2,407 0.285,408 -0.684,409 -0.958,411 -1.812,412 -0.663,413 0.742,414 -0.649,415 2,417 -1,418 -1.5,420 -2,421 -0.968,422 0.5,423 -1,424 1.89,425 -0.03,426 -1,427 -1.824,429 -2.655,430 -1,431 0.016,432 -1.263,433 1.57,434 -0.41,435 -1.348,436 -2,438 -3.405,439 -1.245,440 8.667,441 0.456,442 0.507,443 0.027,444 30.5,445 1.605,446 17.5,447 0.921,448 13,449 0.684,450 9.458,451 0.498,452 19.533,453 0.698,454 20.233,455 1.065,456 6.132,457 0.323,458 3.033,459 0.16,460 0.123,462 0.392,466 0.558,467 1.094,468 0.632,469 0.768,470 0.615,471 0.714,472 0.472,473 0.996,474 0.664,475 0.965,476 0.362,477 0.89,478 0.761,479 1.096,480 0.843,481 1.026,482 0.57,483 0.957,484 0.98,485 1.136,486 1.069,487 1.167,488 0.966,489 1.149,490 1.27,491 1.105,492 1.159,493 1.169,494 1.265,495 1.146,496 1.031,497 0.903,498 1.076,499 0.967,500 1.108,501 1.033,502 0.946,503 1.059,504 1.117,505 1.044,506 0.811,507 1.083,508 1.433,509 0.869,510 1.074,511 1.052,512 1.651,513 0.993,514 3.5,516 2.444,517 1.535,518 0.961,519 0.636,520 0.339,521 0.156,522 0.123,523 0.031,524 2980,525 11043,526 2.081,527 32.1,529 4,530 1,531 1,532 3,536 1.607,537 1.932,538 2.881,539 1.251,541 1,543 1,545 49.447,546 1.766,547 3.655,548 4.379,549 4.664,550 4.664,551 4.664,552 2.313,553 3.827,554 4.221,555 2.983,556 510.068,557 7.207,558 4850.32,559 1,560 1,562 1,563 134.606,564 1.462,565 4.171,566 0.167,568 0.081,569 0.051,570 0.034,571 0.029,572 0.021,573 0.013,574 0.015,575 0.008,576 0.42,577 0.67,578 1,579 0.868,580 80.587,581 0.1,582 0.065,583 0.013,584 0.164,585 -0.089,586 0.09,587 0.221,588 0.101,589 0.042,590 0.012,591 0.257,592 -0.019,593 -0.076,594 -0.064,595 -0.007,596 -0.047,597 -0.001,598 -0.006,599 -0.062,600 -0.128,601 -0.207,602 -0.216,603 -0.074,604 -0.246,605 -0.24,606 -0.213,607 -0.131,608 -0.17,609 -0.165,610 -0.126,611 -0.063,612 -0.013,613 0.036,614 0.012,615 -0.154,616 0.029,617 0.027,618 -0.131,619 -0.013,620 -0.128,621 0.088,622 -0.076,623 -0.102,624 -0.063,625 0.185,626 -0.094,627 -0.174,628 0.075,629 2.42,630 3.955,631 0.789,632 11.729,633 1.033,634 1.134,635 1.664,636 2.769,637 0.695,638 3.091,639 3.434,640 3.738,641 4.043,642 4.234,643 4.304,644 4.431,645 4.489,646 4.407,647 4.344,648 4.465,649 0.7,650 255.26,651 3.091,652 4.635,653 5.501,654 6.399,655 7.287,656 8.191,657 9.088,658 9.994,659 10.896,660 11.804,661 17.9,665 1,669 1,671 2,672 1,674 2,675 6,676 2,677 1,680 4,682 16,691 1,694 1,699 28,700 18,701 1,702 21,704 30,705 12,706 12,707 3,708 3,710 3,711 4,721 12,724 2,726 1,728 2,733 1,736 9,737 5,738 3,739 7,743 5,747 0.667,748 2,755 1,756 1,759 1,760 2,762 1,777 2,785 19,786 1,801 7.1,807 2,808 9.833,809 5.017,810 4.139,811 1.479,812 3.423,813 1.512,814 1.03,815 2.652,816 10.109,817 3.466,818 4.155,819 4.805,820 5.486,821 6.039,822 6.419,823 6.917,824 7.329,825 7.57,826 7.89,827 0.8,828 30,829 6.937,831 3.02,832 8.158,833 12.64,835 10.247,837 2.658,838 50.5,842 70.627,843 71.315,844 88.924,846 50.747,849 71.315,850 121.374,851 88.924,852 5.67,854 79.85,855 45.342,856 37.105,857 15.814,858 47.084,859 50.747,860 70.627,861 160.239,862 50.747,865 70.627,867 50.747,869 30.489,870 90.509,871 39.241,873 70.627,874 139.671,875 71.315,878 70.627,879 15.315,880 61.67,881 16.786,882 117.215,883 70.627,884 139.671,885 71.315,887 0.586,888 0.348,889 0.197,890 0.105,891 16,892 7,893 0.067,894 2,895 1,896 1.133,897 3.073,898 145.473,899 0.133,900 15,901 78.711,904 11.625,905 4.335,906 1.92,907 1.201,908 117.215,909 9.83,910 7.941,911 2.913,914 1.579,916 49.683,917 281.612,918 31,920 -0.42,922 21.909,926 28.931,927 31.741,928 0.367,929 0.76,930 0.911,931 0.97,932 0.97,933 0.97,934 4.682,935 1,936 5.501,937 2.741,938 4.111,939 4.84,940 2.501,941 6.354,942 4.038,943 5.932,944 0.557,945 7.086,946 2.455,947 3.761,948 4.783,949 2.361,950 7.361,951 3.663,952 7.268,953 -0.395,954 8.775,955 1.394,956 5.733,957 7.176,958 4.154,959 10.497,960 5.6,961 8.646,962 -0.537,963 10.527,964 -0.882,965 6.217,966 7.967,967 4.506,968 12.357,969 6.068,970 10.056,971 -0.684,972 12.32,973 -1.385,974 7.678,975 9.828,976 5.948,977 15.017,978 7.501,979 11.491,980 -1,981 14.14,982 -1.812,983 8.536,984 11.013,985 6.556,986 17.209,987 8.347,988 12.945,989 -1,990 15.981,991 -2,992 9.802,993 12.666,994 7.794,995 19.713,996 9.59,997 3.241,998 -1.348,999 17.837,1000 -2.655,1001 10.828,1002 14.035,1003 8.548,1004 22.04,1005 10.604,1006 2.779,1007 11.423,1008 19.704,1009 -3.405,1010 12.021,1011 15.607,1012 9.67,1013 24.492,1014 11.777,1015 2.386,1016 9.226,1017 21.58,1018 4.661,1019 13.122,1020 17.062,1021 10.509,1022 26.876,1023 12.864,1024 1.947,1025 6.93,1026 23.464,1027 3.844,1028 14.291,1029 18.605,1030 11.563,1031 29.312,1032 14.015,1033 1.547,1034 5.575,1035 25.353,1036 3.466,1037 15.427,1038 20.101,1039 12.452,1040 31.721,1041 15.135,1042 1.374,1043 3.905,1044 27.246,1045 2.743,1046 16.59,1047 21.635,1048 13.468,1049 34.152,1050 16.281,1051 1.181,1052 3.422,1053 29.144,1054 2.319,1055 17.742,1056 23.15,1057 14.386,1058 36.573,1059 17.416,1060 2963,1061 5805,1062 13.929,1063 19.46,1064 32.33,1065 33.43,1066 33.406,1067 32.043,1068 32.028,1069 46.554,1070 5.225,1071 94.14,1072 30.821,1073 5.345,1074 5.807,1075 6.414,1076 5.293,1077 5.241,1078 7.661,1079 4.612,1080 18.907,1081 5.177,1082 9.001,1083 1.54,1084 1.592,1085 1.591,1086 1.526,1087 1.525,1088 2.217,1089 0.249,1090 4.483,1091 1.468,1092 4.167,1093 4.198,1094 4.14,1095 4.065,1096 7.815,1097 4.077,1098 3.812,1099 3.863,1100 3.78,1101 3.632,1102 6.999,1103 3.658,1104 3.58,1105 3.616,1106 3.558,1107 3.265,1108 5.237,1109 3.303,1110 3.321,1111 3.376,1112 3.222,1113 3.038,1114 4.932,1115 3.103,1116 3.03,1117 3.141,1118 2.887,1119 2.751,1120 4.58,1121 2.777,1122 2.776,1123 2.839,1124 2.696,1125 2.492,1126 4.276,1127 2.555,1128 2.543,1129 2.617,1130 2.437,1131 2.364,1132 3.918,1133 2.37,1134 2.328,1135 2.395,1136 2.191,1137 2.144,1138 3.597,1139 2.159,1140 0.223,1141 0.181,1142 0.327,1143 0.201,1144 0.154,1145 4.69,1146 0.222,1147 3.807,1148 0.124,1149 6.862,1150 0.544,1151 4.221,1152 0.151,1153 3.241,1154 4.661,1155 2.612,1156 11.423,1157 3.177,1158 1.966,1159 1.945,1160 2.031,1161 2.111,1162 1.177,1163 2.073,1164 1.77,1165 1.725,1166 1.855,1167 1.966,1168 0.872,1169 1.934,1170 1.41,1171 1.354,1172 1.556,1173 1.664,1174 0.538,1175 1.626,1176 1.132,1177 1.093,1178 1.262,1179 1.617,1180 0.282,1181 1.519,1182 1.023,1183 0.964,1184 1.216,1185 1.308,1186 0.106,1187 1.309,1188 0.926,1189 0.832,1190 1.166,1191 1.137,1193 1.152,1194 0.481,1195 0.42,1196 0.754,1197 0.75,1199 0.77,1200 0.354,1201 0.283,1202 0.631,1203 0.635,1205 0.636,1206 3.761,1208 5.094,1209 2.398,1210 6.629,1211 4.727,1212 8.26,1213 6.862,1214 9.941,1220 5.546,1231 19.59,1232 49.447,1233 102.341,1234 122.606,1235 130.606,1236 130.606,1237 130.606,1238 28.167,1239 6.686,1240 113.41,1241 113.41,1242 17,1243 12.322,1244 4.248,1245 3.459,1246 27.671,1247 51,1248 44,1249 0.283,1250 122.243,1251 197.84,1252 290.033,1253 5995,1255 13.405,1256 0.706,1257 0.511,1258 13.405,1259 9.7,1260 9.165,1261 0.436,1262 0.262,1263 5.397,1264 8.681,1265 5.332,1266 4.415,1267 9.165,1268 5.5,1269 8.44,1270 0.281,1271 0.132,1272 8.44,1273 3.959,1274 6.997,1275 0.171,1276 0.069,1277 6.997,1278 2.84,1279 6.177,1280 0.11,1281 0.036,1282 6.177,1283 2.026,1284 4.829,1285 0.071,1286 0.019,1287 4.829,1288 1.287,1289 0.422,1290 58.492,1291 0.268,1292 18.521,1293 0.844,1294 102,1295 360.052,1296 114.865,1297 349.856,1298 471.98,1299 322,1300 122,1301 357.464,1302 134.508,1303 355.981,1304 516.73,1305 334,1306 7.071} {0 CHEMBL1802402,1 1.928,2 6.55,3 2.539,4 6.445,5 82.952,6 13.613,7 0.727,8 3.507,9 3.613,10 3.576,11 3.145,12 4.855,13 3.12,14 3.934,15 4.045,16 4.047,17 3.571,18 5.432,19 3.512,20 4.11,21 4.254,22 4.28,23 3.676,24 5.393,25 3.596,26 4.144,27 4.283,28 4.223,29 3.668,30 5.505,31 3.577,32 4.154,33 4.306,34 4.38,35 3.609,36 5.624,37 3.493,38 4.016,39 4.19,40 4.109,41 3.437,42 5.474,43 3.253,44 3.709,45 3.887,46 4.056,47 3.103,48 5.19,49 2.945,50 3.389,51 3.624,52 2.474,53 2.258,54 5.105,55 2.174,56 0.175,57 0.48,58 2.307,59 1.978,60 11.13,61 1.569,62 0.282,63 0.73,64 5.784,65 3.597,66 43.427,67 3.203,68 0.266,69 0.861,70 17.66,71 5.562,72 26.11,73 4.045,74 0.342,75 0.842,76 9.35,77 5.135,78 41.936,79 4.023,80 0.415,81 0.832,82 20.752,83 6.533,84 39.69,85 4.442,86 0.468,87 0.713,88 40.081,89 7.625,90 66.436,91 4.399,92 0.246,93 0.521,94 30.018,95 6.24,96 21.617,97 3.322,98 0.34,99 0.315,100 15.943,101 3.163,102 51.246,103 2.265,104 18,105 32,106 0.362,107 0.735,108 0.845,109 0.876,110 0.876,111 0.876,112 3.06,113 0.911,114 -3.7,115 -3.66,116 -3.49,119 42.9,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,155 2,159 3,161 2,162 3,163 2,164 2,166 3,168 3,172 9,176 1,178 4,182 6,185 2,187 2,190 2,192 1,193 1,194 5,197 2,199 3,204 2,205 2,206 2,209 1,210 1,212 1,213 2,216 1,217 4,219 1,220 1,222 2,224 1,226 2,228 2,229 1,231 2,232 2,234 1,239 1,255 454,256 13.276,257 13.276,258 13.276,259 13.276,260 13.276,261 11.056,262 9.876,263 7.64,264 13.725,265 10.833,266 10.833,267 10.833,268 10.833,269 10.833,270 7.552,271 8.418,272 3.58,273 11.66,274 2.88,275 0.897,276 0.313,277 0.143,278 0.143,279 0.143,280 3.733,284 1,285 277,286 2.55,288 35.76,289 100.905,291 69.388,295 0.995,296 25.142,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 43.9,307 131,308 4.731,309 3.813,310 7.002,311 4.272,312 3.297,313 4.695,314 2.612,315 11.946,316 3.216,317 4.246,318 3.251,319 6.29,320 3.753,321 2.832,322 3.915,324 9.335,325 2.587,326 3.92,327 2.871,328 5.619,329 3.332,330 2.382,331 3.526,333 7.144,334 2.246,335 3.507,336 2.312,337 5.079,338 3.045,339 2.124,340 2.879,342 5.931,343 1.965,344 3.243,345 2.032,346 4.873,347 2.721,348 1.838,349 2.535,351 5.25,352 1.498,353 3.032,354 1.836,355 4.256,356 2.362,357 1.387,358 2.236,360 3.426,361 1.333,362 2.776,363 1.344,364 3.897,365 2.234,366 1.273,367 1.897,369 3.156,370 1.171,371 2.5,372 1,373 3.693,374 1.953,375 1,376 1.5,378 2.559,379 0.95,380 2.085,381 1,382 3.224,383 1.525,384 0.578,385 0.862,386 1.428,387 0.533,388 1.366,389 0.725,390 2.644,391 0.836,392 0.085,393 0.104,394 0.189,395 0.027,396 1,397 0.514,398 2.366,399 0.397,400 -0.587,401 -0.805,402 -1.475,403 -0.47,404 0.89,405 -0.368,406 2.349,407 0.319,408 -0.627,409 -0.859,411 -1.768,412 -0.576,413 0.765,414 -0.493,415 2,417 -1,418 -1.204,420 -2,421 -0.606,422 0.5,423 -0.689,424 2,425 -0.03,426 -1,427 -1.5,429 -2.402,430 -0.967,431 0.192,432 -1,433 1.787,434 -0.263,435 -1,436 -1.966,438 -2.901,439 -1,440 10.31,441 0.515,442 0.597,443 0.03,444 31,445 1.55,446 17.5,447 0.875,448 13.5,449 0.675,450 13.239,451 0.662,452 19.69,453 0.703,454 19.748,455 0.987,456 5.881,457 0.294,458 3.694,459 0.185,460 0.263,462 0.378,466 0.567,467 0.969,468 0.456,469 0.459,470 0.62,471 0.574,472 0.478,473 0.867,474 0.574,475 0.582,476 0.364,477 0.715,478 0.793,479 1.195,480 0.96,481 1.023,482 0.569,483 0.959,484 1.04,485 1.018,486 0.709,487 0.718,488 1.031,489 0.903,490 1.096,491 1.16,492 1.172,493 1.181,494 1.129,495 1.091,496 1.337,497 0.985,498 1.723,499 1.539,500 1.497,501 1.258,502 1.163,503 1.138,504 1.855,505 1.901,506 1.143,507 1.454,508 1.205,509 0.741,510 0.667,511 0.749,512 1.312,513 1.172,514 4,516 2.667,517 1.625,518 1.382,519 0.883,520 0.424,521 0.227,522 0.061,524 3203,525 13280,526 2.048,527 28.6,529 3,530 1,531 1,532 3,536 1.627,537 1.875,538 2.781,539 1.251,541 1,544 1,545 53.977,546 1.928,547 3.91,548 4.495,549 4.664,550 4.664,551 4.664,552 2.148,553 3.822,554 4.297,555 2.876,556 546.467,557 7.384,558 5442.24,559 1,560 1,562 1,563 134.606,564 1.522,565 4.231,566 0.182,568 0.083,569 0.049,570 0.043,571 0.03,572 0.02,573 0.015,574 0.01,576 0.434,577 0.5,578 1,579 0.897,580 85.65,581 0.094,582 0.099,583 -0.005,584 0.072,585 -0.089,586 0.087,587 0.219,588 0.149,589 0.003,590 0.057,591 0.259,592 0.038,593 -0.113,594 -0.198,595 -0.027,596 -0.106,597 -0.002,598 -0.047,599 -0.141,600 -0.058,601 0.001,602 0.045,603 -0.134,604 -0.042,605 -0.041,606 -0.204,607 -0.028,608 -0.078,609 -0.042,610 -0.098,611 -0.146,612 -0.014,613 -0.156,614 -0.1,615 -0.23,616 -0.134,617 -0.094,618 -0.157,619 -0.098,620 -0.331,621 -0.043,622 -0.276,623 0.234,624 0.134,625 -0.056,626 -0.003,627 0.262,628 -0.104,629 2.406,630 4.181,631 0.75,632 11.43,633 1.036,634 1.124,635 2.467,636 6.088,637 0.79,638 3.135,639 3.497,640 3.807,641 4.127,642 4.369,643 4.407,644 4.489,645 4.511,646 4.466,647 4.477,648 4.328,649 0.747,650 381.15,651 3.135,652 4.691,653 5.565,654 6.472,655 7.372,656 8.285,657 9.194,658 10.108,659 11.021,660 11.936,661 17.9,665 1,669 1,671 2,672 1,674 2,675 5,676 2,677 1,680 5,682 16,691 1,694 1,698 1,699 28,700 18,701 1,702 22,704 30,705 12,706 12,707 3,708 3,710 3,711 4,721 12,724 2,726 1,728 2,733 1,736 8,737 5,738 3,739 8,740 1,741 1,743 5,747 0.667,748 2,755 1,756 1,759 1,760 2,762 1,777 2,784 1,785 20,786 1,800 1,801 7.1,807 2,808 10.667,809 5.076,810 4.333,811 1.466,812 3.436,813 1.505,814 1.044,815 3.31,816 10.235,817 3.497,818 4.201,819 4.853,820 5.54,821 6.129,822 6.493,823 6.945,824 7.335,825 7.607,826 7.991,827 1,828 33,829 7.323,831 3.186,832 8.114,833 13.395,835 10.879,837 2.614,838 52.287,842 58.856,843 120.28,844 88.924,846 50.747,848 56.782,849 63.498,850 109.602,851 88.924,852 5.67,854 70.373,855 45.342,856 38.765,857 15.814,858 92.095,859 50.747,860 58.856,861 152.422,862 50.747,864 56.782,865 58.856,867 50.747,869 30.489,870 82.692,871 39.241,872 56.782,873 58.856,874 139.671,875 63.498,876 56.782,878 58.856,879 16.975,880 108.976,881 16.786,882 117.215,883 58.856,884 139.671,885 63.498,886 56.782,887 0.592,888 0.354,889 0.2,890 0.118,891 17,892 8,893 0.067,894 2,895 1,896 1.133,897 3.081,898 159.319,899 0.133,900 15,901 84.439,904 13.265,905 4.991,906 2.263,907 1.204,908 117.215,909 8.174,910 8.084,911 3.02,914 2.167,916 49.683,917 318.807,918 32,920 -0.406,922 22.361,926 29,927 31.461,928 0.401,929 0.813,930 0.935,931 0.97,932 0.97,933 0.97,934 4.727,935 1,936 5.58,937 3.156,938 4.174,939 4.887,940 2.501,941 6.454,942 4.045,943 5.989,944 0.578,945 7.18,946 2.559,947 3.892,948 4.89,949 2.361,950 7.503,951 3.678,952 7.335,953 0.085,954 8.884,955 1.428,956 5.82,957 7.236,958 4.154,959 10.652,960 5.609,961 8.721,962 -0.587,963 10.648,964 0.189,965 6.347,966 8.062,967 4.506,968 12.555,969 6.083,970 10.139,971 -0.627,972 12.452,973 -1.475,974 7.788,975 9.899,976 5.948,977 15.245,978 7.518,979 11.58,980 -1,981 14.284,982 -1.768,983 8.677,984 11.103,985 6.556,986 17.49,987 8.376,988 13.04,989 -1,990 16.137,991 -2,992 9.939,993 12.747,994 7.794,995 20.031,996 9.626,997 3.297,998 -1,999 18.006,1000 -2.402,1001 10.99,1002 14.129,1003 8.548,1004 22.413,1005 10.656,1006 2.832,1007 11.946,1008 19.888,1009 -2.901,1010 12.19,1011 15.699,1012 9.67,1013 24.906,1014 11.841,1015 2.382,1016 9.335,1017 21.78,1018 4.695,1019 13.313,1020 17.163,1021 10.509,1022 27.343,1023 12.946,1024 2.124,1025 7.144,1026 23.68,1027 3.915,1028 14.494,1029 18.708,1030 11.563,1031 29.823,1032 14.111,1033 1.838,1034 5.931,1035 25.587,1036 3.526,1037 15.649,1038 20.211,1039 12.452,1040 32.282,1041 15.249,1042 1.387,1043 5.25,1044 27.5,1045 2.879,1046 16.827,1047 21.749,1048 13.468,1049 34.759,1050 16.41,1051 1.273,1052 3.426,1053 29.416,1054 2.535,1055 17.997,1056 23.272,1057 14.386,1058 37.229,1059 17.563,1060 3213,1061 6644,1062 14.334,1063 22.119,1064 33.9,1065 35.306,1066 35.5,1067 33.784,1068 33.59,1069 48.298,1070 5.225,1071 100.727,1072 31.053,1073 5.401,1074 5.813,1075 6.53,1076 5.344,1077 5.297,1078 7.695,1079 4.612,1080 19.413,1081 5.216,1082 10.519,1083 1.541,1084 1.605,1085 1.614,1086 1.536,1087 1.527,1088 2.195,1089 0.237,1090 4.578,1091 1.412,1092 4.168,1093 4.197,1094 10.695,1095 4.099,1096 7.815,1097 4.082,1098 3.802,1099 3.85,1100 4.135,1101 3.882,1102 6.999,1103 3.69,1104 3.604,1105 3.643,1106 3.718,1107 3.311,1108 5.23,1109 3.31,1110 3.307,1111 3.356,1112 3.575,1113 3.165,1114 4.936,1115 3.111,1116 3.031,1117 3.127,1118 3.215,1119 3.046,1120 4.562,1121 2.861,1122 2.777,1123 2.839,1124 2.797,1125 2.539,1126 4.263,1127 2.573,1128 2.495,1129 2.571,1130 2.676,1131 2.445,1132 3.915,1133 2.291,1134 2.384,1135 2.448,1136 2.394,1137 2.241,1138 3.595,1139 2.23,1140 0.215,1141 0.173,1142 0.318,1143 0.194,1144 0.15,1145 4.731,1146 0.213,1147 3.813,1148 0.119,1149 7.002,1150 0.543,1151 4.272,1152 0.146,1153 3.297,1154 4.695,1155 2.612,1156 11.946,1157 3.216,1158 1.968,1159 1.949,1160 2.026,1161 2.107,1162 1.183,1163 2.071,1164 1.761,1165 1.723,1166 1.788,1167 1.923,1168 0.881,1169 1.901,1170 1.42,1171 1.362,1172 1.545,1173 1.751,1174 0.539,1175 1.676,1176 1.134,1177 1.105,1178 1.224,1179 1.534,1180 0.281,1181 1.469,1182 1.014,1183 0.954,1184 1.21,1185 1.262,1186 0.105,1187 1.274,1188 0.924,1189 0.847,1190 1.137,1191 1.131,1193 1.147,1194 0.453,1195 0.391,1196 0.748,1197 0.733,1199 0.762,1200 0.38,1201 0.313,1202 0.588,1203 0.656,1205 0.643,1206 3.807,1208 5.153,1209 2.398,1210 6.701,1211 4.727,1212 8.346,1213 6.862,1214 10.044,1219 2.076,1220 5.606,1231 20.907,1232 53.977,1233 109.487,1234 125.851,1235 130.606,1236 130.606,1237 130.606,1238 32.464,1239 6.799,1240 113.41,1241 113.41,1242 17,1243 12.448,1244 4.248,1245 3.459,1246 29.628,1247 51,1248 46,1249 0.297,1250 139.828,1251 223.12,1252 332.94,1253 6874,1254 3.6,1255 14.276,1256 0.714,1257 0.608,1258 15.776,1259 12.158,1260 9.575,1261 0.435,1262 0.304,1263 5.57,1264 8.433,1265 5.432,1266 4.477,1267 10.441,1268 6.684,1269 8.977,1270 0.281,1271 0.164,1272 10.089,1273 5.246,1274 7.443,1275 0.169,1276 0.084,1277 8.518,1278 3.688,1279 6.403,1280 0.105,1281 0.043,1282 7.228,1283 2.625,1284 5.475,1285 0.07,1286 0.024,1287 6.587,1288 1.835,1289 0.435,1290 74.524,1291 0.264,1292 19.149,1293 0.914,1294 108,1295 381.7,1296 269.774,1297 412.041,1298 544.03,1299 378,1300 130,1301 379.773,1302 203.23,1303 393.878,1304 574.77,1305 369,1306 5.041} {0 CHEMBL1802403,1 1.928,2 7.2,3 2.539,4 6.445,5 82.952,6 13.613,7 0.727,8 3.507,9 3.613,10 3.576,11 3.145,12 4.854,13 3.12,14 3.934,15 4.045,16 4.047,17 3.571,18 5.434,19 3.512,20 4.11,21 4.254,22 4.266,23 3.673,24 5.418,25 3.586,26 4.134,27 4.287,28 4.15,29 3.643,30 5.447,31 3.521,32 4.052,33 4.225,34 4.315,35 3.567,36 5.335,37 3.416,38 3.929,39 4.091,40 3.948,41 3.411,42 5.389,43 3.24,44 3.773,45 3.97,46 3.725,47 3.03,48 5.234,49 2.893,50 3.376,51 3.571,52 3.722,53 2.555,54 4.935,55 2.484,56 0.175,57 0.48,58 2.307,59 1.978,60 11.019,61 1.569,62 0.282,63 0.73,64 5.784,65 3.597,66 43.982,67 3.203,68 0.267,69 0.857,70 16.73,71 5.513,72 22.157,73 3.937,74 0.371,75 0.811,76 9.883,77 5.36,78 47.297,79 4.163,80 0.314,81 0.772,82 23.749,83 6.53,84 42.869,85 4.99,86 0.332,87 0.692,88 46.438,89 7.302,90 25.514,91 4.374,92 0.385,93 0.526,94 18.339,95 4.778,96 54.066,97 2.922,98 0.201,99 0.34,100 20.355,101 4.478,102 19.703,103 2.535,104 18,105 32,106 0.362,107 0.735,108 0.845,109 0.876,110 0.876,111 0.876,112 3.059,113 0.911,114 -3.7,115 -3.66,116 -3.49,119 42.9,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,155 2,159 3,161 2,162 3,163 2,164 2,166 3,168 3,172 9,176 2,178 4,182 7,185 1,187 1,190 2,192 1,194 4,197 1,199 3,202 1,204 2,205 1,206 2,209 3,210 1,211 1,212 1,213 1,215 1,216 2,217 2,222 1,224 1,226 1,228 1,229 3,231 1,232 1,234 1,239 1,241 2,244 2,245 2,255 460,256 13.223,257 13.223,258 13.223,259 13.223,260 13.223,261 11.024,262 9.876,263 7.565,264 13.677,265 10.827,266 10.827,267 10.827,268 10.827,269 10.827,270 7.557,271 8.418,272 3.57,273 11.658,274 2.88,275 0.897,276 0.313,277 0.143,278 0.143,279 0.143,280 3.733,284 1,285 305,286 2.55,288 38.055,289 102.767,291 70.684,295 1.12,296 24.153,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 43.9,307 144,308 4.649,309 3.782,310 6.807,311 4.193,312 3.221,313 4.588,314 2.612,315 11.243,316 3.133,317 4.246,318 3.263,319 6.125,320 3.744,321 2.808,322 3.923,324 8.884,325 2.623,326 4.046,327 2.865,328 5.827,329 3.488,330 2.545,331 3.691,333 7.837,334 2.363,335 3.5,336 2.312,337 5.076,338 3.036,339 2.12,340 2.866,342 5.923,343 1.951,344 3.235,345 2.08,346 4.874,347 2.706,348 1.821,349 2.524,351 5.268,352 1.485,353 3.031,354 1.855,355 4.294,356 2.358,357 1.391,358 2.233,360 3.782,361 1.33,362 2.78,363 1.35,364 3.897,365 2.229,366 1.265,367 1.899,369 3.081,370 1.167,371 2.528,372 1.058,373 3.728,374 1.957,375 1,376 1.527,378 2.571,379 0.953,380 2.038,381 1,382 3.213,383 1.499,384 0.551,385 0.811,386 1.363,387 0.505,388 1.368,389 0.68,390 2.651,391 0.839,392 0.084,393 0.102,394 0.185,395 0.026,396 1,397 0.462,398 2.367,399 0.419,400 -0.534,401 -0.717,402 -1.399,403 -0.47,404 0.885,405 -0.368,406 2.329,407 0.192,408 -0.783,409 -1.075,411 -2,412 -0.509,413 0.678,414 -0.531,415 2,416 0.028,417 -0.94,418 -1.238,420 -2.205,421 -0.774,422 0.547,423 -0.778,424 2,426 -1,427 -1.405,429 -2.591,430 -0.92,431 0.194,432 -0.918,433 1.802,434 -0.257,435 -1,436 -1.933,438 -2.827,439 -1,440 10.31,441 0.515,442 0.613,443 0.031,444 31,445 1.55,446 17.5,447 0.875,448 13.5,449 0.675,450 13.098,451 0.655,452 19.69,453 0.703,454 19.448,455 0.972,456 5.865,457 0.293,458 3.693,459 0.185,460 0.263,462 0.378,466 0.567,467 0.969,468 0.456,469 0.459,470 0.622,471 0.574,472 0.478,473 0.867,474 0.574,475 0.582,476 0.359,477 0.715,478 0.811,479 1.176,480 0.965,481 1.033,482 0.546,483 1.011,484 1.116,485 0.952,486 0.72,487 0.709,488 1.104,489 0.971,490 0.884,491 1.2,492 1.247,493 1.231,494 0.874,495 1.068,496 0.865,497 1.07,498 1.916,499 1.757,500 0.908,501 1.431,502 1.461,503 1.008,504 1.102,505 1.066,506 1.545,507 1.108,508 1.324,509 1.085,510 1.537,511 1.764,512 1.493,513 1.277,514 4.5,516 2.889,517 1.444,518 1.267,519 0.754,520 0.472,521 0.247,522 0.123,523 0.031,524 3359,525 14144,526 2.048,527 28.6,529 3,530 1,531 1,532 3,536 1.623,537 1.875,538 2.907,539 1.251,541 1,544 1,545 53.977,546 1.928,547 3.91,548 4.495,549 4.664,550 4.664,551 4.664,552 2.261,553 3.884,554 4.295,555 3.004,556 570.718,557 7.365,558 5670.85,559 1,560 1,562 1,563 134.606,564 1.522,565 4.231,566 0.205,568 0.09,569 0.045,570 0.045,571 0.029,572 0.021,573 0.018,574 0.012,575 0.008,576 0.473,577 0.5,578 1,579 0.897,580 86.507,581 0.094,582 0.099,583 -0.005,584 0.072,585 -0.09,586 0.087,587 0.219,588 0.149,589 0.003,590 0.057,591 0.264,592 0.038,593 -0.131,594 -0.178,595 -0.032,596 -0.116,597 0.018,598 -0.101,599 -0.218,600 -0.022,602 0.071,603 -0.193,604 -0.054,605 -0.041,606 -0.266,607 -0.012,608 -0.057,609 -0.06,610 0.028,611 0.102,612 -0.03,613 -0.239,614 -0.259,615 0.002,616 -0.35,617 -0.211,618 -0.081,619 -0.046,620 -0.005,621 -0.217,622 -0.043,623 0.003,624 -0.182,625 0.001,626 -0.338,627 -0.02,628 -0.061,629 2.421,630 3.884,631 0.75,632 12.6,633 1.036,634 1.124,635 2.467,636 6.088,637 0.79,638 3.135,639 3.497,640 3.784,641 4.06,642 4.317,643 4.407,644 4.5,645 4.554,646 4.5,647 4.489,648 4.576,649 0.747,650 381.15,651 3.135,652 4.691,653 5.557,654 6.454,655 7.344,656 8.246,657 9.145,658 10.049,659 10.953,660 11.858,661 17.9,665 1,669 1,671 2,672 1,674 2,675 5,676 2,677 1,680 5,682 16,691 1,694 1,698 1,699 28,700 18,701 1,702 22,704 30,705 12,706 12,707 3,708 3,710 3,711 4,721 12,724 2,726 1,728 2,733 1,736 8,737 5,738 3,739 8,740 1,741 1,743 5,747 0.667,748 2,755 1,756 1,759 1,760 2,762 1,777 2,784 1,785 20,786 1,800 1,801 7.1,807 2,808 10.667,809 5.076,810 4.306,811 1.459,812 3.387,813 1.498,814 1.044,815 3.31,816 10.186,817 3.497,818 4.201,819 4.835,820 5.481,821 6.082,822 6.509,823 6.972,824 7.376,825 7.634,826 7.987,827 0.8,828 32,829 7.308,831 3.165,832 8.114,833 13.395,835 10.875,837 2.614,838 52.287,842 58.856,843 120.28,844 88.924,846 50.747,848 56.782,849 63.498,850 109.602,851 88.924,852 5.67,854 70.373,855 45.342,856 38.765,857 15.814,858 92.095,859 50.747,860 58.856,861 152.422,862 50.747,864 56.782,865 58.856,867 50.747,869 30.489,870 82.692,871 39.241,872 56.782,873 58.856,874 139.671,875 63.498,876 56.782,878 58.856,879 16.975,880 108.976,881 16.786,882 117.215,883 58.856,884 139.671,885 63.498,886 56.782,887 0.596,888 0.349,889 0.183,890 0.108,891 17,892 8,893 0.067,894 2,895 1,896 1.133,897 3.128,898 156.764,899 0.133,900 15,901 84.439,904 13.265,905 4.991,906 2.374,907 1.536,908 117.215,909 8.04,910 8.125,911 3.072,914 2.451,916 49.683,917 318.807,918 32,920 -0.421,922 21.767,926 29,927 31.461,928 0.401,929 0.813,930 0.935,931 0.97,932 0.97,933 0.97,934 4.727,935 1,936 5.572,937 3.081,938 4.174,939 4.887,940 2.501,941 6.422,942 4.045,943 5.989,944 0.551,945 7.162,946 2.571,947 3.892,948 4.89,949 2.361,950 7.405,951 3.678,952 7.332,953 0.084,954 8.85,955 1.363,956 5.808,957 7.226,958 4.154,959 10.514,960 5.596,961 8.713,962 -0.534,963 10.594,964 0.185,965 6.312,966 8.03,967 4.506,968 12.32,969 6.041,970 10.123,971 -0.783,972 12.373,973 -1.399,974 7.742,975 9.86,976 5.948,977 14.964,978 7.465,979 11.554,980 -0.94,981 14.178,982 -2,983 8.595,984 11.028,985 6.556,986 17.113,987 8.28,988 13.001,989 -1,990 16.002,991 -2.205,992 9.842,993 12.66,994 7.794,995 19.601,996 9.512,997 3.221,998 -1,999 17.84,1000 -2.591,1001 10.855,1002 14.003,1003 8.548,1004 21.899,1005 10.497,1006 2.808,1007 11.243,1008 19.69,1009 -2.827,1010 12.034,1011 15.555,1012 9.67,1013 24.334,1014 11.658,1015 2.545,1016 8.884,1017 21.549,1018 4.588,1019 13.121,1020 16.982,1021 10.509,1022 26.696,1023 12.721,1024 2.12,1025 7.837,1026 23.415,1027 3.923,1028 14.277,1029 18.503,1030 11.563,1031 29.115,1032 13.858,1033 1.821,1034 5.923,1035 25.288,1036 3.691,1037 15.4,1038 19.972,1039 12.452,1040 31.507,1041 14.958,1042 1.391,1043 5.268,1044 27.167,1045 2.866,1046 16.551,1047 21.484,1048 13.468,1049 33.923,1050 16.089,1051 1.265,1052 3.782,1053 29.05,1054 2.524,1055 17.692,1056 22.974,1057 14.386,1058 36.328,1059 17.208,1060 3356,1061 6985,1062 14.334,1063 22.119,1064 33.926,1065 35.322,1066 35.32,1067 33.808,1068 33.613,1069 48.327,1070 5.225,1071 100.275,1072 31.073,1073 5.318,1074 5.782,1075 6.135,1076 5.265,1077 5.221,1078 7.588,1079 4.612,1080 18.595,1081 5.133,1082 10.718,1083 1.542,1084 1.606,1085 1.605,1086 1.537,1087 1.528,1088 2.197,1089 0.237,1090 4.558,1091 1.412,1092 4.158,1093 4.189,1094 10.695,1095 4.096,1096 7.815,1097 4.076,1098 3.816,1099 3.859,1100 4.121,1101 3.882,1102 6.999,1103 3.695,1104 3.654,1105 3.695,1106 3.747,1107 3.367,1108 5.231,1109 3.385,1110 3.169,1111 3.216,1112 3.61,1113 3.17,1114 4.943,1115 2.953,1116 3.024,1117 3.116,1118 3.085,1119 2.91,1120 4.56,1121 2.85,1122 2.883,1123 2.948,1124 2.822,1125 2.609,1126 4.213,1127 2.672,1128 2.587,1129 2.668,1130 2.721,1131 2.447,1132 3.921,1133 2.397,1134 2.279,1135 2.357,1136 2.49,1137 2.368,1138 3.667,1139 2.118,1140 0.211,1141 0.172,1142 0.309,1143 0.191,1144 0.146,1145 4.649,1146 0.209,1147 3.782,1148 0.119,1149 6.807,1150 0.511,1151 4.193,1152 0.142,1153 3.221,1154 4.588,1155 2.612,1156 11.243,1157 3.133,1158 1.965,1159 1.945,1160 2.026,1161 2.102,1162 1.178,1163 2.068,1164 1.764,1165 1.727,1166 1.788,1167 1.928,1168 0.883,1169 1.904,1170 1.407,1171 1.344,1172 1.543,1173 1.746,1174 0.537,1175 1.665,1176 1.232,1177 1.208,1178 1.279,1179 1.568,1180 0.28,1181 1.512,1182 0.941,1183 0.858,1184 1.168,1185 1.238,1186 0.114,1187 1.25,1188 0.834,1189 0.769,1190 1.101,1191 1.063,1193 1.081,1194 0.573,1195 0.522,1196 0.779,1197 0.842,1199 0.851,1200 0.343,1201 0.276,1202 0.599,1203 0.624,1205 0.624,1206 3.807,1208 5.153,1209 2.398,1210 6.693,1211 4.727,1212 8.323,1213 6.843,1214 10.001,1219 2.105,1220 5.612,1231 20.907,1232 53.977,1233 109.487,1234 125.851,1235 130.606,1236 130.606,1237 130.606,1238 30.765,1239 6.799,1240 113.41,1241 113.41,1242 17,1243 12.377,1244 4.248,1245 3.459,1246 29.758,1247 54,1248 49,1249 0.28,1250 139.828,1251 223.12,1252 332.94,1253 6880,1254 3.6,1255 14.276,1256 0.714,1257 0.608,1258 15.776,1259 12.158,1260 9.559,1261 0.434,1262 0.304,1263 5.564,1264 8.414,1265 5.424,1266 4.469,1267 10.425,1268 6.678,1269 9.042,1270 0.283,1271 0.165,1272 10.154,1273 5.276,1274 7.522,1275 0.175,1276 0.086,1277 8.598,1278 3.683,1279 6.116,1280 0.107,1281 0.045,1282 6.941,1283 2.538,1284 5.193,1285 0.07,1286 0.024,1287 6.327,1288 1.808,1289 0.418,1290 74.423,1291 0.264,1292 19.354,1293 0.836,1294 108,1295 381.7,1296 269.774,1297 412.227,1298 543.45,1299 378,1300 129,1301 378.773,1302 202.063,1303 393.151,1304 571.49,1305 368,1306 6.602} {0 CHEMBL1802404,1 1.928,2 7.8,3 2.539,4 6.445,5 82.952,6 13.613,7 0.727,8 3.507,9 3.613,10 3.576,11 3.145,12 4.854,13 3.12,14 3.934,15 4.045,16 4.047,17 3.571,18 5.434,19 3.512,20 4.11,21 4.254,22 4.266,23 3.673,24 5.417,25 3.586,26 4.134,27 4.287,28 4.153,29 3.641,30 5.453,31 3.518,32 4.059,33 4.235,34 4.306,35 3.556,36 5.389,37 3.397,38 3.908,39 4.084,40 3.862,41 3.396,42 5.27,43 3.192,44 3.631,45 3.848,46 3.291,47 2.941,48 4.877,49 2.753,50 3.294,51 3.524,52 3.204,53 2.361,54 4.781,55 2.33,56 0.175,57 0.48,58 2.307,59 1.978,60 11.019,61 1.569,62 0.282,63 0.73,64 5.784,65 3.597,66 43.982,67 3.203,68 0.267,69 0.857,70 16.73,71 5.513,72 22.11,73 3.937,74 0.374,75 0.814,76 9.985,77 5.371,78 47.706,79 4.277,80 0.365,81 0.772,82 22.677,83 6.44,84 40.044,85 4.752,86 0.308,87 0.657,88 47.942,89 7.607,90 35.55,91 4.638,92 0.26,93 0.471,94 27.596,95 4.953,96 32.959,97 3.398,98 0.231,99 0.315,100 7.841,101 2.466,102 29.795,103 2.073,104 18,105 32,106 0.362,107 0.735,108 0.845,109 0.876,110 0.876,111 0.876,112 3.059,113 0.911,114 -3.7,115 -3.66,116 -3.49,119 42.9,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,155 2,159 3,161 2,162 3,163 2,164 2,166 3,168 4,172 8,176 1,178 4,182 5,185 2,187 2,190 1,192 1,194 6,197 2,199 3,202 1,204 2,206 3,209 1,210 1,211 1,212 1,213 2,215 1,216 1,217 2,222 2,226 2,228 2,229 1,241 1,242 2,244 1,245 1,255 448,256 13.223,257 13.223,258 13.223,259 13.223,260 13.223,261 11.024,262 9.876,263 7.562,264 13.677,265 10.827,266 10.827,267 10.827,268 10.827,269 10.827,270 7.557,271 8.418,272 3.566,273 11.657,274 2.88,275 0.897,276 0.313,277 0.143,278 0.143,279 0.143,280 3.733,284 1,285 331,286 2.55,288 38.055,289 103.321,291 70.684,295 1.42,296 23.686,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 43.9,307 156,308 4.645,309 3.781,310 6.802,311 4.188,312 3.217,313 4.584,314 2.612,315 11.218,316 3.127,317 4.261,318 3.263,319 6.133,320 3.761,321 2.821,322 3.942,324 8.928,325 2.649,326 4.042,327 2.865,328 5.838,329 3.486,330 2.546,331 3.683,333 7.865,334 2.35,335 3.488,336 2.312,337 5.057,338 3.015,339 2.107,340 2.842,342 5.873,343 1.92,344 3.217,345 2.12,346 4.869,347 2.666,348 1.778,349 2.493,351 5.208,352 1.485,353 3.039,354 1.747,355 4.3,356 2.459,357 1.49,358 2.283,360 3.884,361 1.383,362 2.811,363 1.45,364 3.894,365 2.187,366 1.22,367 1.911,369 3.065,370 1.145,371 2.525,372 1.047,373 3.737,374 1.956,375 1,376 1.525,378 2.57,379 0.953,380 2.026,381 1,382 3.21,383 1.488,384 0.541,385 0.795,386 1.334,387 0.497,388 1.367,389 0.658,390 2.648,391 0.838,392 0.084,393 0.103,394 0.186,395 0.026,396 1,397 0.461,398 2.366,399 0.385,400 -0.573,401 -0.756,402 -1.534,403 -0.47,404 0.838,405 -0.398,406 2.331,407 0.253,408 -0.721,409 -1.032,411 -2,412 -0.552,413 0.746,414 -0.527,415 2,416 0.011,417 -0.951,418 -1.196,420 -2.102,421 -0.705,422 0.538,423 -0.71,424 2,426 -1,427 -1.427,429 -2.389,430 -0.922,431 0.191,432 -0.94,433 1.8,434 -0.262,435 -1,436 -1.99,438 -2.863,439 -1,440 10.31,441 0.515,442 0.613,443 0.031,444 31,445 1.55,446 17.5,447 0.875,448 13.5,449 0.675,450 13.032,451 0.652,452 19.69,453 0.703,454 19.305,455 0.965,456 5.865,457 0.293,458 3.693,459 0.185,460 0.263,462 0.378,466 0.567,467 0.969,468 0.456,469 0.459,470 0.622,471 0.574,472 0.478,473 0.867,474 0.574,475 0.582,476 0.359,477 0.715,478 0.811,479 1.176,480 0.965,481 1.033,482 0.548,483 1.011,484 1.067,485 0.926,486 0.72,487 0.715,488 1.094,489 0.987,490 0.837,491 1.165,492 1.252,493 1.217,494 0.821,495 1.093,496 1.077,497 1.062,498 1.925,499 1.755,500 1.063,501 1.467,502 1.119,503 1.021,504 1.298,505 1.259,506 1.085,507 1.337,508 1.015,509 1.058,510 0.56,511 0.71,512 1.107,513 0.804,514 4.5,515 0.025,516 2.889,517 1.569,518 1.347,519 0.723,520 0.43,521 0.217,522 0.156,523 0.084,524 3467,525 14774,526 2.048,527 28.6,529 3,530 1,531 1,532 3,536 1.62,537 1.875,538 2.975,539 1.251,541 1,544 1,545 53.977,546 1.928,547 3.91,548 4.495,549 4.664,550 4.664,551 4.664,552 2.466,553 4.022,554 4.292,555 3.106,556 590.169,557 7.343,558 5830.24,559 1,560 1,562 1,563 134.606,564 1.522,565 4.231,566 0.205,567 0.006,568 0.09,569 0.049,570 0.048,571 0.029,572 0.023,573 0.02,574 0.017,575 0.011,576 0.497,577 0.5,578 1,579 0.897,580 87.075,581 0.094,582 0.099,583 -0.005,584 0.072,585 -0.09,586 0.087,587 0.219,588 0.149,589 0.003,590 0.057,591 0.264,592 0.038,593 -0.131,594 -0.178,595 -0.032,596 -0.116,597 0.016,598 -0.101,599 -0.168,600 0.005,601 0.001,602 0.065,603 -0.183,604 -0.072,605 0.03,606 -0.214,607 -0.018,608 -0.043,609 -0.008,610 -0.008,611 -0.142,612 -0.079,613 -0.235,614 -0.234,615 -0.136,616 -0.302,617 -0.181,618 -0.096,619 -0.13,620 -0.118,621 -0.183,622 -0.182,623 0.188,624 -0.165,625 0.088,626 0.049,627 0.096,628 0.27,629 2.424,630 3.774,631 0.75,632 14.08,633 1.036,634 1.124,635 2.467,636 6.088,637 0.79,638 3.135,639 3.497,640 3.784,641 4.06,642 4.304,643 4.382,644 4.511,645 4.585,646 4.533,647 4.477,648 4.789,649 0.747,650 381.15,651 3.135,652 4.691,653 5.557,654 6.454,655 7.343,656 8.244,657 9.142,658 10.045,659 10.947,660 11.852,661 17.9,665 1,669 1,671 2,672 1,674 2,675 5,676 2,677 1,680 5,682 16,691 1,694 1,698 1,699 28,700 18,701 1,702 22,704 30,705 12,706 12,707 3,708 3,710 3,711 4,721 12,724 2,726 1,728 2,733 1,736 8,737 5,738 3,739 8,740 1,741 1,743 5,747 0.667,748 2,755 1,756 1,759 1,760 2,762 1,777 2,784 1,785 20,786 1,800 1,801 7.1,807 2,808 10.667,809 5.076,810 4.306,811 1.459,812 3.398,813 1.5,814 1.044,815 3.31,816 10.197,817 3.497,818 4.201,819 4.835,820 5.481,821 6.075,822 6.489,823 6.981,824 7.406,825 7.651,826 7.977,827 1,828 32,829 7.303,831 3.158,832 8.114,833 13.395,835 10.875,837 2.614,838 52.287,842 58.856,843 120.28,844 88.924,846 50.747,848 56.782,849 63.498,850 109.602,851 88.924,852 5.67,854 70.373,855 45.342,856 38.765,857 15.814,858 92.095,859 50.747,860 58.856,861 152.422,862 50.747,864 56.782,865 58.856,867 50.747,869 30.489,870 82.692,871 39.241,872 56.782,873 58.856,874 139.671,875 63.498,876 56.782,878 58.856,879 16.975,880 108.976,881 16.786,882 117.215,883 58.856,884 139.671,885 63.498,886 56.782,887 0.596,888 0.349,889 0.184,890 0.106,891 17,892 8,893 0.067,894 2,895 1,896 1.133,897 3.148,898 155.793,899 0.133,900 15,901 84.439,904 13.265,905 4.991,906 2.374,907 1.536,908 117.215,909 8.071,910 8.154,911 3.02,914 2.641,916 49.683,917 318.807,918 32,920 -0.424,922 21.547,926 29,927 31.461,928 0.401,929 0.813,930 0.935,931 0.97,932 0.97,933 0.97,934 4.727,935 1,936 5.572,937 3.065,938 4.174,939 4.887,940 2.501,941 6.422,942 4.045,943 5.989,944 0.541,945 7.162,946 2.57,947 3.892,948 4.89,949 2.361,950 7.405,951 3.678,952 7.332,953 0.084,954 8.85,955 1.334,956 5.808,957 7.226,958 4.154,959 10.513,960 5.596,961 8.713,962 -0.573,963 10.594,964 0.186,965 6.312,966 8.03,967 4.506,968 12.318,969 6.041,970 10.123,971 -0.721,972 12.373,973 -1.534,974 7.742,975 9.86,976 5.948,977 14.96,978 7.465,979 11.554,980 -0.951,981 14.178,982 -2,983 8.595,984 11.028,985 6.556,986 17.107,987 8.279,988 13.001,989 -1,990 16.002,991 -2.102,992 9.841,993 12.66,994 7.794,995 19.592,996 9.511,997 3.217,998 -1,999 17.84,1000 -2.389,1001 10.854,1002 14.002,1003 8.548,1004 21.887,1005 10.494,1006 2.821,1007 11.218,1008 19.689,1009 -2.863,1010 12.032,1011 15.553,1012 9.67,1013 24.319,1014 11.653,1015 2.546,1016 8.928,1017 21.547,1018 4.584,1019 13.118,1020 16.979,1021 10.509,1022 26.678,1023 12.714,1024 2.107,1025 7.865,1026 23.413,1027 3.942,1028 14.273,1029 18.5,1030 11.563,1031 29.094,1032 13.849,1033 1.778,1034 5.873,1035 25.286,1036 3.683,1037 15.393,1038 19.967,1039 12.452,1040 31.482,1041 14.946,1042 1.49,1043 5.208,1044 27.163,1045 2.842,1046 16.544,1047 21.478,1048 13.468,1049 33.895,1050 16.075,1051 1.22,1052 3.884,1053 29.046,1054 2.493,1055 17.682,1056 22.967,1057 14.386,1058 36.297,1059 17.191,1060 3458,1061 7234,1062 14.334,1063 22.119,1064 33.924,1065 35.315,1066 35.321,1067 33.804,1068 33.61,1069 48.323,1070 5.225,1071 100.259,1072 31.069,1073 5.313,1074 5.781,1075 6.125,1076 5.26,1077 5.217,1078 7.584,1079 4.612,1080 18.585,1081 5.127,1082 10.841,1083 1.542,1084 1.605,1085 1.606,1086 1.537,1087 1.528,1088 2.196,1089 0.237,1090 4.557,1091 1.412,1092 4.158,1093 4.189,1094 10.695,1095 4.095,1096 7.815,1097 4.076,1098 3.82,1099 3.863,1100 4.121,1101 3.882,1102 6.999,1103 3.697,1104 3.645,1105 3.686,1106 3.753,1107 3.371,1108 5.231,1109 3.383,1110 3.176,1111 3.227,1112 3.601,1113 3.167,1114 4.941,1115 2.924,1116 3.042,1117 3.137,1118 3.085,1119 2.881,1120 4.559,1121 2.869,1122 2.87,1123 2.924,1124 2.856,1125 2.682,1126 4.223,1127 2.712,1128 2.548,1129 2.634,1130 2.709,1131 2.446,1132 3.927,1133 2.334,1134 2.314,1135 2.385,1136 2.438,1137 2.282,1138 3.64,1139 2.149,1140 0.211,1141 0.172,1142 0.309,1143 0.19,1144 0.146,1145 4.645,1146 0.208,1147 3.781,1148 0.119,1149 6.802,1150 0.51,1151 4.188,1152 0.142,1153 3.217,1154 4.584,1155 2.612,1156 11.218,1157 3.127,1158 1.964,1159 1.944,1160 2.026,1161 2.103,1162 1.177,1163 2.068,1164 1.767,1165 1.73,1166 1.788,1167 1.933,1168 0.885,1169 1.908,1170 1.398,1171 1.338,1172 1.54,1173 1.707,1174 0.537,1175 1.627,1176 1.238,1177 1.205,1178 1.284,1179 1.612,1180 0.28,1181 1.558,1182 0.951,1183 0.87,1184 1.181,1185 1.245,1186 0.113,1187 1.258,1188 0.835,1189 0.78,1190 1.083,1191 1.032,1193 1.05,1194 0.544,1195 0.486,1196 0.777,1197 0.838,1199 0.851,1200 0.361,1201 0.295,1202 0.595,1203 0.638,1205 0.632,1206 3.807,1208 5.153,1209 2.398,1210 6.693,1211 4.727,1212 8.323,1213 6.843,1214 10,1219 2.125,1220 5.616,1231 20.907,1232 53.977,1233 109.487,1234 125.851,1235 130.606,1236 130.606,1237 130.606,1238 30.28,1239 6.799,1240 113.41,1241 113.41,1242 17,1243 12.371,1244 4.248,1245 3.459,1246 29.893,1247 57,1248 54,1249 0.27,1250 139.828,1251 223.12,1252 332.94,1253 6880,1254 3.6,1255 14.276,1256 0.714,1257 0.608,1258 15.776,1259 12.158,1260 9.559,1261 0.434,1262 0.304,1263 5.564,1264 8.414,1265 5.424,1266 4.469,1267 10.425,1268 6.678,1269 9.042,1270 0.283,1271 0.165,1272 10.154,1273 5.276,1274 7.516,1275 0.175,1276 0.086,1277 8.591,1278 3.683,1279 6.15,1280 0.108,1281 0.045,1282 6.975,1283 2.544,1284 5.188,1285 0.071,1286 0.025,1287 6.322,1288 1.794,1289 0.408,1290 74.423,1291 0.264,1292 19.511,1293 0.79,1294 108,1295 381.7,1296 269.774,1297 412.227,1298 543.45,1299 378,1300 129,1301 378.773,1302 202.063,1303 393.151,1304 571.49,1305 368,1306 7.022} {0 CHEMBL1802405,1 1.928,2 7.15,3 2.539,4 6.445,5 82.952,6 13.613,7 0.727,8 3.507,9 3.613,10 3.576,11 3.145,12 4.855,13 3.12,14 3.934,15 4.045,16 4.047,17 3.571,18 5.431,19 3.512,20 4.11,21 4.255,22 4.282,23 3.674,24 5.399,25 3.592,26 4.15,27 4.292,28 4.212,29 3.658,30 5.55,31 3.56,32 4.137,33 4.3,34 4.325,35 3.596,36 5.53,37 3.455,38 3.906,39 4.093,40 3.835,41 3.379,42 5.204,43 3.158,44 3.651,45 3.853,46 3.714,47 2.996,48 5.073,49 2.851,50 3.376,51 3.571,52 3.722,53 2.555,54 4.935,55 2.484,56 0.175,57 0.48,58 2.307,59 1.978,60 11.13,61 1.569,62 0.282,63 0.73,64 5.784,65 3.597,66 43.38,67 3.203,68 0.268,69 0.864,70 17.762,71 5.573,72 26.518,73 4.16,74 0.393,75 0.842,76 8.277,77 5.045,78 39.111,79 3.785,80 0.391,81 0.797,82 22.256,83 6.837,84 49.725,85 4.705,86 0.343,87 0.657,88 49.339,89 7.8,90 45.329,91 4.875,92 0.276,93 0.497,94 17.504,95 4.229,96 31.71,97 2.86,98 0.201,99 0.34,100 20.355,101 4.478,102 19.703,103 2.535,104 18,105 32,106 0.362,107 0.735,108 0.845,109 0.876,110 0.876,111 0.876,112 3.06,113 0.911,114 -3.7,115 -3.66,116 -3.49,119 42.9,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,155 2,159 4,161 2,162 2,163 2,164 2,166 2,168 3,172 7,174 1,176 2,178 3,182 8,185 3,187 2,190 2,192 1,194 6,199 3,202 1,204 2,205 1,206 2,209 1,210 1,211 1,212 1,213 1,215 1,216 2,217 2,222 1,224 1,226 1,228 1,229 3,231 1,232 1,234 1,239 1,241 2,244 2,245 2,255 442,256 13.276,257 13.276,258 13.276,259 13.276,260 13.276,261 11.056,262 9.876,263 7.624,264 13.722,265 10.827,266 10.827,267 10.827,268 10.827,269 10.827,270 7.55,271 8.418,272 3.563,273 11.65,274 2.88,275 0.897,276 0.313,277 0.143,278 0.143,279 0.143,280 3.733,284 1,285 303,286 2.55,288 35.76,289 101.584,291 69.388,295 1.165,296 24.428,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 43.9,307 143,308 4.705,309 3.807,310 6.903,311 4.239,312 3.266,313 4.67,314 2.612,315 11.571,316 3.179,317 4.301,318 3.258,319 6.404,320 3.819,321 2.886,322 3.977,324 9.733,325 2.686,326 3.933,327 2.872,328 5.731,329 3.371,330 2.431,331 3.54,333 7.465,334 2.248,335 3.465,336 2.312,337 4.972,338 2.965,339 2.071,340 2.807,342 5.714,343 1.85,344 3.2,345 2.146,346 4.816,347 2.601,348 1.691,349 2.461,351 4.803,352 1.506,353 3.045,354 1.552,355 4.279,356 2.51,357 1.543,358 2.316,360 3.789,361 1.383,362 2.798,363 1.502,364 3.89,365 2.208,366 1.239,367 1.905,369 3.093,370 1.161,371 2.5,372 1,373 3.712,374 1.953,375 1,376 1.5,378 2.573,379 0.95,380 2.096,381 1,382 3.223,383 1.533,384 0.585,385 0.874,386 1.435,387 0.54,388 1.367,389 0.745,390 2.646,391 0.837,392 0.085,393 0.104,394 0.188,395 0.026,396 1,397 0.511,398 2.367,399 0.427,400 -0.537,401 -0.737,402 -1.387,403 -0.47,404 0.915,405 -0.342,406 2.347,407 0.287,408 -0.676,409 -0.924,411 -1.803,412 -0.515,413 0.743,414 -0.504,415 2,417 -1,418 -1.209,420 -2,421 -0.666,422 0.5,423 -0.708,424 2,425 -0.03,426 -1,427 -1.5,429 -2.385,430 -0.968,431 0.19,432 -1,433 1.79,434 -0.266,435 -1,436 -2,438 -2.902,439 -1,440 10.31,441 0.515,442 0.597,443 0.03,444 31,445 1.55,446 17.5,447 0.875,448 13.5,449 0.675,450 13.153,451 0.658,452 19.69,453 0.703,454 19.561,455 0.978,456 5.88,457 0.294,458 3.695,459 0.185,460 0.263,462 0.378,466 0.567,467 0.969,468 0.456,469 0.459,470 0.62,471 0.574,472 0.478,473 0.867,474 0.574,475 0.582,476 0.366,477 0.715,478 0.744,479 1.168,480 0.959,481 1.029,482 0.56,483 0.976,484 0.997,485 0.985,486 0.714,487 0.705,488 0.982,489 0.926,490 1.264,491 1.153,492 1.179,493 1.179,494 1.252,495 1.119,496 1.066,497 0.993,498 1.927,499 1.727,500 1.143,501 1.445,502 0.942,503 1.123,504 1.203,505 1.186,506 0.859,507 1.14,508 1.324,509 1.085,510 1.537,511 1.764,512 1.493,513 1.277,514 4,516 2.889,517 1.722,518 1.267,519 0.771,520 0.361,521 0.247,522 0.123,523 0.031,524 3311,525 13910,526 2.048,527 28.6,529 3,530 1,531 1,532 3,536 1.623,537 1.875,538 2.883,539 1.251,541 1,544 1,545 53.977,546 1.928,547 3.91,548 4.495,549 4.664,550 4.664,551 4.664,552 2.304,553 3.584,554 4.296,555 2.991,556 568.328,557 7.365,558 5604.93,559 1,560 1,562 1,563 134.606,564 1.522,565 4.231,566 0.182,568 0.09,569 0.052,570 0.041,571 0.03,572 0.02,573 0.018,574 0.012,575 0.008,576 0.453,577 0.5,578 1,579 0.897,580 86.272,581 0.094,582 0.099,583 -0.005,584 0.072,585 -0.089,586 0.087,587 0.219,588 0.149,589 0.003,590 0.057,591 0.256,592 0.038,593 -0.061,594 -0.17,595 -0.026,596 -0.112,597 0.008,598 -0.065,599 -0.075,600 -0.01,601 -0.004,602 0.057,603 -0.085,604 -0.075,605 -0.235,606 -0.244,607 -0.025,608 -0.058,609 -0.151,610 -0.06,611 -0.117,612 -0.019,613 -0.23,614 -0.194,615 -0.206,616 -0.248,617 0.027,618 -0.144,619 -0.044,620 -0.066,621 0.035,622 -0.062,623 0.003,624 -0.182,625 0.001,626 -0.338,627 -0.02,628 -0.061,629 2.415,630 4.02,631 0.75,632 12.6,633 1.036,634 1.124,635 2.467,636 6.088,637 0.79,638 3.135,639 3.497,640 3.807,641 4.111,642 4.331,643 4.382,644 4.511,645 4.585,646 4.522,647 4.454,648 4.525,649 0.747,650 381.15,651 3.135,652 4.691,653 5.565,654 6.469,655 7.366,656 8.275,657 9.18,658 10.091,659 11,660 11.912,661 17.9,665 1,669 1,671 2,672 1,674 2,675 5,676 2,677 1,680 5,682 16,691 1,694 1,698 1,699 28,700 18,701 1,702 22,704 30,705 12,706 12,707 3,708 3,710 3,711 4,721 12,724 2,726 1,728 2,733 1,736 8,737 5,738 3,739 8,740 1,741 1,743 5,747 0.667,748 2,755 1,756 1,759 1,760 2,762 1,777 2,784 1,785 20,786 1,800 1,801 7.1,807 2,808 10.667,809 5.076,810 4.333,811 1.466,812 3.469,813 1.51,814 1.044,815 3.31,816 10.269,817 3.497,818 4.201,819 4.853,820 5.531,821 6.101,822 6.475,823 6.966,824 7.391,825 7.65,826 7.97,827 0.8,828 33,829 7.315,831 3.176,832 8.114,833 13.395,835 10.879,837 2.614,838 52.287,842 58.856,843 120.28,844 88.924,846 50.747,848 56.782,849 63.498,850 109.602,851 88.924,852 5.67,854 70.373,855 45.342,856 38.765,857 15.814,858 92.095,859 50.747,860 58.856,861 152.422,862 50.747,864 56.782,865 58.856,867 50.747,869 30.489,870 82.692,871 39.241,872 56.782,873 58.856,874 139.671,875 63.498,876 56.782,878 58.856,879 16.975,880 108.976,881 16.786,882 117.215,883 58.856,884 139.671,885 63.498,886 56.782,887 0.593,888 0.355,889 0.198,890 0.111,891 17,892 8,893 0.067,894 2,895 1,896 1.133,897 3.106,898 157.97,899 0.133,900 15,901 84.439,904 13.265,905 4.991,906 2.263,907 1.204,908 117.215,909 8.232,910 8.125,911 2.937,914 2.447,916 49.683,917 318.807,918 32,920 -0.415,922 22.04,926 29,927 31.461,928 0.401,929 0.813,930 0.935,931 0.97,932 0.97,933 0.97,934 4.727,935 1,936 5.58,937 3.093,938 4.174,939 4.887,940 2.501,941 6.45,942 4.045,943 5.989,944 0.585,945 7.18,946 2.573,947 3.892,948 4.89,949 2.361,950 7.489,951 3.678,952 7.335,953 0.085,954 8.883,955 1.435,956 5.82,957 7.236,958 4.154,959 10.627,960 5.608,961 8.721,962 -0.537,963 10.646,964 0.188,965 6.347,966 8.062,967 4.506,968 12.499,969 6.079,970 10.138,971 -0.676,972 12.447,973 -1.387,974 7.785,975 9.898,976 5.948,977 15.169,978 7.509,979 11.579,980 -1,981 14.274,982 -1.803,983 8.67,984 11.099,985 6.556,986 17.369,987 8.357,988 13.037,989 -1,990 16.121,991 -2,992 9.927,993 12.739,994 7.794,995 19.883,996 9.599,997 3.266,998 -1,999 17.982,1000 -2.385,1001 10.969,1002 14.115,1003 8.548,1004 22.217,1005 10.614,1006 2.886,1007 11.571,1008 19.854,1009 -2.902,1010 12.161,1011 15.68,1012 9.67,1013 24.677,1014 11.787,1015 2.431,1016 9.733,1017 21.735,1018 4.67,1019 13.272,1020 17.136,1021 10.509,1022 27.068,1023 12.874,1024 2.071,1025 7.465,1026 23.623,1027 3.977,1028 14.443,1029 18.675,1030 11.563,1031 29.512,1032 14.025,1033 1.691,1034 5.714,1035 25.516,1036 3.54,1037 15.585,1038 20.17,1039 12.452,1040 31.929,1041 15.145,1042 1.543,1043 4.803,1044 27.414,1045 2.807,1046 16.752,1047 21.701,1048 13.468,1049 34.369,1050 16.291,1051 1.239,1052 3.789,1053 29.315,1054 2.461,1055 17.909,1056 23.216,1057 14.386,1058 36.799,1059 17.427,1060 3315,1061 6893,1062 14.334,1063 22.119,1064 33.903,1065 35.317,1066 35.5,1067 33.79,1068 33.596,1069 48.306,1070 5.225,1071 100.725,1072 31.06,1073 5.372,1074 5.807,1075 6.414,1076 5.311,1077 5.266,1078 7.67,1079 4.612,1080 19.149,1081 5.179,1082 10.663,1083 1.541,1084 1.605,1085 1.614,1086 1.536,1087 1.527,1088 2.196,1089 0.237,1090 4.578,1091 1.412,1092 4.168,1093 4.198,1094 10.695,1095 4.098,1096 7.815,1097 4.081,1098 3.813,1099 3.858,1100 4.134,1101 3.884,1102 6.999,1103 3.695,1104 3.58,1105 3.615,1106 3.735,1107 3.321,1108 5.231,1109 3.308,1110 3.321,1111 3.376,1112 3.549,1113 3.157,1114 4.932,1115 3.103,1116 3.033,1117 3.13,1118 3.222,1119 3.038,1120 4.559,1121 2.862,1122 2.776,1123 2.839,1124 2.801,1125 2.505,1126 4.276,1127 2.558,1128 2.543,1129 2.617,1130 2.675,1131 2.445,1132 3.918,1133 2.371,1134 2.328,1135 2.394,1136 2.433,1137 2.36,1138 3.598,1139 2.17,1140 0.214,1141 0.173,1142 0.314,1143 0.193,1144 0.148,1145 4.705,1146 0.212,1147 3.807,1148 0.119,1149 6.903,1150 0.526,1151 4.239,1152 0.144,1153 3.266,1154 4.67,1155 2.612,1156 11.571,1157 3.179,1158 1.966,1159 1.946,1160 2.026,1161 2.11,1162 1.18,1163 2.071,1164 1.768,1165 1.732,1166 1.789,1167 1.936,1168 0.886,1169 1.91,1170 1.41,1171 1.356,1172 1.542,1173 1.663,1174 0.538,1175 1.624,1176 1.132,1177 1.093,1178 1.221,1179 1.616,1180 0.281,1181 1.519,1182 1.022,1183 0.965,1184 1.215,1185 1.265,1186 0.106,1187 1.277,1188 0.923,1189 0.847,1190 1.14,1191 1.127,1193 1.144,1194 0.48,1195 0.42,1196 0.75,1197 0.749,1199 0.769,1200 0.353,1201 0.287,1202 0.592,1203 0.634,1205 0.633,1206 3.807,1208 5.153,1209 2.398,1210 6.701,1211 4.727,1212 8.344,1213 6.862,1214 10.038,1219 2.105,1220 5.612,1231 20.907,1232 53.977,1233 109.487,1234 125.851,1235 130.606,1236 130.606,1237 130.606,1238 31.707,1239 6.799,1240 113.41,1241 113.41,1242 17,1243 12.426,1244 4.248,1245 3.459,1246 29.758,1247 54,1248 46,1249 0.285,1250 139.828,1251 223.12,1252 332.94,1253 6874,1254 3.6,1255 14.276,1256 0.714,1257 0.608,1258 15.776,1259 12.158,1260 9.575,1261 0.435,1262 0.304,1263 5.57,1264 8.435,1265 5.432,1266 4.477,1267 10.441,1268 6.684,1269 8.967,1270 0.28,1271 0.164,1272 10.079,1273 5.246,1274 7.485,1275 0.17,1276 0.084,1277 8.56,1278 3.697,1279 6.426,1280 0.107,1281 0.043,1282 7.251,1283 2.606,1284 5.328,1285 0.071,1286 0.024,1287 6.462,1288 1.815,1289 0.423,1290 74.524,1291 0.264,1292 19.297,1293 0.856,1294 108,1295 381.7,1296 269.774,1297 412.041,1298 544.03,1299 378,1300 130,1301 379.773,1302 203.424,1303 393.879,1304 574.73,1305 369,1306 6.337} {0 CHEMBL1802406,1 1.641,2 6.353,3 2.644,4 6.992,5 75.628,6 12.929,7 0.842,8 3.403,9 3.523,10 3.451,11 3.11,12 4.608,13 3.048,14 3.835,15 3.972,16 3.924,17 3.525,18 5.042,19 3.421,20 4.003,21 4.178,22 4.152,23 3.607,24 5.107,25 3.465,26 3.941,27 4.124,28 4.015,29 3.559,30 5.014,31 3.371,32 3.893,33 4.1,34 4.188,35 3.485,36 4.961,37 3.253,38 3.728,39 3.941,40 3.71,41 3.308,42 4.852,43 3.019,44 3.469,45 3.722,46 3.075,47 2.85,48 4.512,49 2.566,50 3.023,51 3.337,52 1.657,53 2.066,54 3.928,55 1.79,56 0.037,57 0.418,58 1.562,59 1.817,60 6.472,61 1.878,62 0.105,63 0.656,64 3.838,65 3.264,66 12.107,67 3.679,68 0.08,69 0.766,70 17.672,71 5.546,72 11.912,73 4.839,74 0.097,75 0.701,76 7.218,77 4.566,78 11.498,79 4.781,80 0.071,81 0.681,82 21.202,83 6.153,84 12.143,85 5.304,86 0.122,87 0.597,88 44.575,89 7.279,90 14.349,91 5.023,92 0.092,93 0.431,94 25,95 4.721,96 13.49,97 3.547,98 0.067,99 0.252,100 16.229,101 2.994,102 10.995,103 2.652,104 5,105 27,106 0.317,107 0.684,108 0.82,109 0.879,110 0.894,111 0.894,112 2.911,113 0.976,114 -3.65,115 -3.62,116 -3.45,119 46.2,133 4,134 2,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 5,161 1,162 1,163 2,164 2,166 3,168 5,172 3,176 2,178 5,182 2,185 1,187 2,190 2,192 1,194 3,199 3,202 1,204 2,206 2,209 1,210 1,211 1,212 1,213 2,215 1,217 2,222 2,224 1,226 2,229 1,234 1,239 1,255 286,256 11.569,257 11.569,258 11.569,259 11.569,260 11.569,261 9.646,262 4.923,263 6.783,264 11.965,265 9.376,266 9.376,267 9.376,268 9.376,269 9.376,270 6.573,271 3.275,272 3.213,273 10.128,274 3.06,275 1.164,276 0.462,277 0.154,278 0.077,279 0.077,280 3.586,284 1,285 234,286 1.732,288 28.976,289 83.036,291 55.696,295 0.962,296 9.731,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 35.4,307 108,308 4.623,309 3.265,310 6.796,311 4.171,312 3.201,313 4.549,315 11.192,316 3.107,317 4.161,318 2.862,319 6.066,320 3.642,321 2.722,322 3.853,324 8.662,325 2.467,326 3.509,327 2.311,328 5.078,329 3.054,330 2.133,331 2.881,333 5.931,334 1.973,335 3.243,336 2.021,337 4.874,338 2.721,339 1.838,340 2.535,342 5.263,343 1.511,344 3.046,345 1.546,346 4.281,347 2.518,348 1.546,349 2.318,351 3.841,352 1.483,353 2.77,354 1.327,355 3.88,356 2.256,357 1.299,358 1.894,360 3.161,361 1.179,362 2.5,363 1,364 3.56,365 1.953,366 1,367 1.5,369 2.496,370 0.95,371 1.993,372 0.649,373 3.1,374 1.465,375 0.521,376 0.758,378 1.23,379 0.473,380 1.36,381 0.405,382 2.596,383 0.831,384 0.075,385 0.092,386 0.166,387 0.024,388 0.772,389 -0.49,390 2.366,391 0.32,392 -0.627,393 -0.817,394 -1.644,395 -0.47,396 0.657,397 -0.688,398 2,399 0.154,400 -0.839,401 -1.196,402 -2.058,403 -0.606,404 0.5,405 -0.841,406 2,407 -0.03,408 -1,409 -1.264,411 -2.345,412 -0.833,413 0.189,414 -1,415 1.905,416 -0.266,417 -1,418 -1.5,420 -2.821,421 -0.968,422 -0.035,423 -1.356,424 1.339,425 -0.541,426 -1.48,427 -2.014,429 -3.9,430 -1.256,431 -0.246,432 -1.502,433 1.311,434 -0.867,435 -1.565,436 -2.16,438 -4.45,439 -1.448,440 9.243,441 0.544,442 0.418,443 0.025,444 25.75,445 1.515,446 14.5,447 0.853,448 11.25,449 0.662,450 11.166,451 0.657,452 15.957,453 0.614,454 13.796,455 0.812,456 4.839,457 0.285,458 3.415,459 0.201,460 0.221,462 0.325,466 1.155,467 0.992,468 0.452,469 0.473,470 1.231,471 0.594,472 0.636,473 0.818,474 0.566,475 0.578,476 0.527,477 0.727,478 1.025,479 1.121,480 0.949,481 1.015,482 0.797,483 0.954,484 0.917,485 0.953,486 0.751,487 0.744,488 0.934,489 0.948,490 0.901,491 1.205,492 1.285,493 1.275,494 0.78,495 1.077,496 1.014,497 1.062,498 2.018,499 1.849,500 1.151,501 1.42,502 1.47,503 1.045,504 1.339,505 1.316,506 1.554,507 1.327,508 1.275,509 0.914,510 0.76,511 0.892,512 1.684,513 1.163,514 3,516 2.222,517 1.257,518 0.916,519 0.431,520 0.238,521 0.099,522 0.02,524 2226,525 7155,526 2.127,527 34.6,529 4,530 1,531 1,532 3,536 1.575,537 2,538 2.732,539 1.251,543 1,544 1,545 42.663,546 1.641,547 3.536,548 4.239,549 4.547,550 4.624,551 4.624,552 2.162,553 3.572,554 4.064,555 2.785,556 378.818,557 6.893,558 3329.46,559 1,560 1,562 1,563 122.211,564 1.379,565 4.023,566 0.158,568 0.082,569 0.048,570 0.042,571 0.023,572 0.017,573 0.014,574 0.01,576 0.394,577 0.5,578 1,579 0.604,580 68.397,581 -0.229,582 0.02,583 -0.005,584 0.043,585 -0.328,586 0.075,587 0.253,588 0.173,589 0.003,590 0.044,591 0.21,592 0.017,593 -0.122,594 -0.156,595 -0.018,596 -0.096,597 -0.016,598 -0.051,599 -0.047,600 -0.01,601 0.01,602 0.056,603 -0.121,604 -0.057,605 -0.002,606 -0.264,607 -0.006,608 -0.068,609 0.117,610 -0.016,611 0.068,612 -0.035,613 -0.227,614 -0.255,615 -0.027,616 -0.284,617 -0.336,618 -0.073,619 -0.131,620 -0.137,621 -0.265,622 -0.234,623 -0.147,624 -0.044,625 -0.044,626 -0.036,627 -0.21,628 -0.003,629 1.37,630 1.642,631 0.882,632 8.637,633 1.005,634 1.114,635 2.42,636 5.857,637 0.806,638 2.996,639 3.332,640 3.638,641 3.932,642 4.143,643 4.127,644 4.19,645 4.234,646 4.078,647 4.007,648 3.988,649 0.73,650 336.15,651 2.996,652 4.533,653 5.398,654 6.29,655 7.177,656 8.074,657 8.968,658 9.867,659 10.765,660 11.664,661 15.4,665 1,669 1,671 2,674 2,675 6,676 2,677 1,680 4,682 16,691 1,698 1,699 26,700 16,701 1,702 19,704 28,705 12,706 12,707 2,708 4,710 3,711 4,721 12,733 1,736 9,737 3,738 3,739 5,740 1,741 1,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,784 1,785 17,786 1,800 1,808 8.5,809 4.626,810 3.694,811 1.398,812 3.221,813 1.5,814 1.082,815 2.662,816 9.662,817 3.332,818 4.021,819 4.695,820 5.356,821 5.91,822 6.216,823 6.646,824 7.071,825 7.215,826 7.535,827 1,828 26,829 6.21,831 2.62,832 7.654,833 11.864,835 9.697,837 2.154,838 36.62,839 0.002,842 70.627,843 127,844 83.254,848 56.782,849 70.218,850 70.627,851 83.254,854 79.85,855 45.342,856 36.008,857 15.814,858 103.866,860 70.627,861 153.472,864 56.782,865 70.627,869 30.489,870 89.412,871 33.571,872 56.782,873 70.627,874 83.254,875 70.218,876 56.782,878 70.627,879 14.218,880 112.782,881 16.786,882 66.468,883 70.627,884 83.254,885 70.218,886 56.782,887 0.585,888 0.35,889 0.198,890 0.112,891 15,892 6,893 0.036,894 1,895 1,896 1.133,897 2.926,898 124.926,899 0.133,900 15,901 69.487,904 10.83,905 4.178,906 1.861,907 2.235,908 66.468,909 11.805,910 8.283,911 3.229,914 3.21,916 49.683,917 280.88,918 27,926 26.127,927 28.959,928 0.349,929 0.752,930 0.902,931 0.967,932 0.984,933 0.984,934 4.543,935 0.521,936 5.389,937 2.496,938 4.007,939 4.705,941 6.229,942 3.87,943 5.784,944 0.075,945 6.963,946 1.23,947 3.611,948 4.559,950 7.195,951 3.359,952 7.11,953 -0.627,954 8.642,955 0.166,956 5.617,957 7.027,959 10.334,960 5.392,961 8.479,962 -0.839,963 10.383,964 -1.644,965 6.066,966 7.75,968 12.168,969 5.767,970 9.881,971 -1,972 12.166,973 -2.058,974 7.545,975 9.658,977 14.825,978 7.255,979 11.308,980 -1,981 13.977,982 -2.345,983 8.382,984 10.794,986 17,987 8.046,988 12.756,989 -1.48,990 15.81,991 -2.821,992 9.654,993 12.467,995 19.495,996 9.311,997 3.201,998 -1.565,999 17.658,1000 -3.9,1001 10.667,1002 13.799,1004 21.807,1005 10.292,1006 2.722,1007 11.192,1008 19.519,1009 -4.45,1010 11.86,1011 15.372,1013 24.246,1014 11.469,1015 2.133,1016 8.662,1017 21.389,1018 4.549,1019 12.95,1020 16.796,1022 26.615,1023 12.534,1024 1.838,1025 5.931,1026 23.266,1027 3.853,1028 14.115,1029 18.328,1031 29.036,1032 13.679,1033 1.546,1034 5.263,1035 25.15,1036 2.881,1037 15.24,1038 19.796,1040 31.428,1041 14.781,1042 1.299,1043 3.841,1044 27.038,1045 2.535,1046 16.396,1047 21.311,1049 33.843,1050 15.915,1051 1,1052 3.161,1053 28.93,1054 2.318,1055 17.538,1056 22.8,1058 36.247,1059 17.033,1060 2189,1061 4018,1062 12.83,1063 20.966,1064 28.953,1065 29.17,1066 29.797,1067 28.905,1068 28.673,1069 40.763,1071 83.885,1072 26.33,1073 5.29,1074 5.265,1075 6.478,1076 5.242,1077 5.201,1078 7.549,1080 18.536,1081 5.107,1082 6.583,1083 1.524,1084 1.535,1085 1.568,1086 1.521,1087 1.509,1088 2.145,1090 4.415,1091 1.386,1092 4.135,1093 4.168,1094 10.695,1095 4.089,1096 5.231,1097 4.063,1098 3.783,1099 3.834,1100 4.09,1101 3.875,1102 4.963,1103 3.681,1104 3.379,1105 3.442,1106 3.685,1107 3.286,1108 4.565,1109 3.241,1110 3.043,1111 3.137,1112 3.278,1113 3.154,1114 4.292,1115 2.871,1116 2.927,1117 2.992,1118 2.872,1119 2.821,1120 3.928,1121 2.8,1122 2.588,1123 2.671,1124 2.726,1125 2.447,1126 3.677,1127 2.399,1128 2.406,1129 2.485,1130 2.491,1131 2.378,1132 3.467,1133 2.242,1134 2.235,1135 2.347,1136 2.24,1137 2.24,1138 3.134,1139 2.002,1140 0.243,1141 0.172,1142 0.358,1143 0.22,1144 0.168,1145 4.623,1146 0.239,1147 3.265,1149 6.796,1150 0.589,1151 4.171,1152 0.164,1153 3.201,1154 4.549,1156 11.192,1157 3.107,1158 1.947,1159 1.925,1160 2.029,1161 2.023,1162 1.163,1163 2.027,1164 1.759,1165 1.72,1166 1.788,1167 1.92,1168 0.88,1169 1.9,1170 1.397,1171 1.336,1172 1.54,1173 1.63,1174 0.537,1175 1.615,1176 1.025,1177 0.966,1178 1.22,1179 1.266,1180 0.281,1181 1.277,1182 0.926,1183 0.848,1184 1.144,1185 1.132,1186 0.118,1187 1.149,1188 0.76,1189 0.69,1190 1.068,1191 0.951,1193 0.995,1194 0.397,1195 0.321,1196 0.639,1197 0.671,1199 0.666,1200 0.142,1201 0.019,1202 0.441,1203 0.369,1205 0.408,1206 3.664,1208 4.99,1209 2.398,1210 6.524,1211 4.727,1212 8.151,1213 6.843,1214 9.827,1219 2.216,1220 5.642,1231 18.983,1232 42.663,1233 91.947,1234 110.211,1235 118.211,1236 120.211,1237 120.211,1238 16.145,1239 6.441,1240 67.59,1241 67.59,1242 17,1243 12.187,1244 4.087,1245 3.17,1246 23.567,1247 40,1248 34,1249 0.302,1250 127.969,1251 197.18,1252 304.003,1253 4426,1254 3.8,1255 11.828,1256 0.696,1257 0.645,1258 13.328,1259 10.971,1260 8.254,1261 0.434,1262 0.325,1263 5.108,1264 7.358,1265 4.946,1266 4.092,1267 9.12,1268 6.179,1269 7.509,1270 0.278,1271 0.179,1272 8.621,1273 4.835,1274 6.459,1275 0.175,1276 0.092,1277 7.534,1278 3.397,1279 5.484,1280 0.11,1281 0.048,1282 6.309,1283 2.388,1284 4.604,1285 0.074,1286 0.027,1287 5.738,1288 1.677,1289 0.443,1290 64.697,1291 0.279,1292 16.636,1293 0.924,1294 92,1295 250.584,1296 247.598,1297 294.015,1298 400.86,1299 274,1300 110,1301 277.408,1302 177.244,1303 299.002,1304 439.18,1305 282,1306 7.18} {0 CHEMBL1802407,1 1.67,2 6.389,3 1.898,4 3.601,5 80.328,6 12.542,7 0.8,8 3.48,9 3.613,10 3.491,11 3.141,12 4.716,13 3.089,14 3.902,15 4.045,16 3.969,17 3.565,18 5.124,19 3.471,20 4.084,21 4.254,22 4.208,23 3.669,24 5.239,25 3.545,26 4.094,27 4.283,28 4.103,29 3.655,30 5.237,31 3.491,32 4.09,33 4.305,34 4.237,35 3.593,36 5.205,37 3.376,38 3.944,39 4.189,40 4.005,41 3.423,42 5.063,43 3.16,44 3.65,45 3.887,46 3.273,47 3.069,48 4.837,49 2.759,50 3.3,51 3.624,52 1.764,53 2.232,54 4.288,55 1.973,56 0.064,57 0.479,58 1.286,59 2.028,60 10.221,61 1.986,62 0.117,63 0.729,64 3.636,65 3.737,66 13.296,67 4.154,68 0.1,69 0.86,70 16.219,71 5.621,72 14.497,73 5.051,74 0.14,75 0.84,76 6.623,77 5.337,78 16.615,79 5.641,80 0.145,81 0.83,82 19.722,83 6.693,84 20.975,85 5.966,86 0.178,87 0.711,88 40.106,89 7.802,90 21.002,91 6.049,92 0.134,93 0.52,94 41.156,95 6.593,96 20.415,97 4.686,98 0.134,99 0.314,100 16.156,101 3.213,102 20.191,103 2.734,104 10,105 29,106 0.318,107 0.698,108 0.829,109 0.889,110 0.889,111 0.889,112 2.963,113 0.958,114 -3.13,115 -3.13,116 -3.01,119 42.9,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 2,153 2,154 2,159 3,161 1,162 1,163 2,164 2,166 5,168 3,170 2,172 3,176 3,178 4,180 2,182 1,185 1,186 1,187 3,189 1,190 2,192 2,194 3,196 1,197 1,199 3,204 2,206 1,209 1,210 1,211 1,212 1,213 2,215 1,217 2,219 1,220 1,221 1,222 2,223 2,224 1,226 2,227 1,229 1,234 1,239 1,255 336,256 12.069,257 12.069,258 12.069,259 12.069,260 12.069,261 10.101,262 8.085,263 6.957,264 12.482,265 9.849,266 9.849,267 9.849,268 9.849,269 9.849,270 6.967,271 5.775,272 3.275,273 10.634,274 3.137,275 1.142,276 0.456,277 0.143,278 0.143,279 0.143,280 3.636,284 1,285 247,286 1.871,288 31.017,289 88.592,291 59.906,295 0.944,296 13.39,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 37.9,307 115,308 4.688,309 3.315,310 6.935,311 4.237,312 3.262,313 4.64,315 11.675,316 3.181,317 4.197,318 2.947,319 6.194,320 3.699,321 2.781,322 3.877,324 9.023,325 2.52,326 3.523,327 2.312,328 5.079,329 3.079,330 2.151,331 2.895,333 5.935,334 2.002,335 3.421,336 2.14,337 5.026,338 2.948,339 2,340 2.804,342 5.675,343 1.896,344 3.243,345 1.987,346 4.861,347 2.72,348 1.837,349 2.535,351 5.202,352 1.497,353 2.788,354 1.349,355 4.066,356 2.279,357 1.32,358 1.918,360 3.292,361 1.195,362 2.5,363 1,364 3.76,365 1.953,366 1,367 1.5,369 2.561,370 0.95,371 2.172,372 0.781,373 3.311,374 1.658,375 0.723,376 1.031,378 1.775,379 0.668,380 1.372,381 0.543,382 2.665,383 0.852,384 0.102,385 0.123,386 0.225,387 0.032,388 1.043,389 -0.19,390 2.367,391 0.642,392 -0.319,393 -0.411,394 -0.733,395 -0.303,396 0.767,397 -0.491,398 2.365,399 0.319,400 -0.627,401 -0.819,402 -1.734,403 -0.47,404 0.5,405 -0.689,406 2,407 -0.029,408 -1,409 -1.203,411 -2.391,412 -0.606,413 0.196,414 -1,415 2,416 -0.254,417 -1,418 -1.5,420 -2.901,421 -0.967,422 0.046,423 -1.193,424 1.753,425 -0.365,426 -1.295,427 -1.733,429 -3.33,430 -1.216,431 -0.126,432 -1.364,433 1.323,434 -0.571,435 -1.521,436 -2.033,438 -3.9,439 -1.28,440 9.643,441 0.536,442 0.507,443 0.028,444 27,445 1.5,446 15,447 0.833,448 12,449 0.667,450 12.325,451 0.685,452 17.357,453 0.62,454 15.491,455 0.861,456 5.077,457 0.282,458 3.588,459 0.199,460 0.253,462 0.363,466 1.293,467 0.971,468 0.458,469 0.456,470 1.405,471 0.566,472 0.624,473 0.867,474 0.567,475 0.58,476 0.504,477 0.703,478 1.04,479 1.195,480 0.949,481 1.019,482 0.875,483 0.964,484 0.832,485 1.017,486 0.698,487 0.724,488 0.895,489 0.944,490 1.005,491 1.16,492 1.158,493 1.181,494 0.955,495 1.14,496 1,497 0.986,498 1.675,499 1.523,500 1.002,501 1.126,502 1.044,503 1.135,504 2.01,505 1.928,506 1.04,507 1.655,508 1.802,509 0.743,510 0.662,511 0.746,512 2.16,513 1.114,514 3.5,516 2.444,517 1.5,518 1.232,519 0.542,520 0.301,521 0.127,522 0.02,524 2497,525 8256,526 2.086,527 35.7,529 3,530 1,531 1,532 5,536 1.594,537 1.929,538 2.734,539 3.026,541 1,543 1,544 1,545 46.757,546 1.67,547 3.665,548 4.352,549 4.664,550 4.664,551 4.664,552 2.135,553 3.795,554 4.147,555 2.796,556 427.713,557 7.069,558 3923.35,559 1,560 1,562 1,563 134.606,564 1.481,565 4.09,566 0.175,568 0.084,569 0.052,570 0.047,571 0.026,572 0.018,573 0.014,574 0.01,576 0.426,577 0.33,578 1,579 0.662,580 73.895,581 -0.332,582 0.097,583 -0.008,584 0.077,585 -0.428,586 0.124,587 0.21,588 0.149,589 0.008,590 0.061,591 0.186,592 0.074,593 -0.156,594 -0.197,595 -0.022,596 -0.106,597 -0.078,598 -0.079,599 0.042,600 -0.057,601 0.014,602 0.042,603 -0.022,604 -0.061,605 -0.056,606 -0.204,607 -0.01,608 -0.078,609 -0.024,610 -0.13,611 0.063,612 -0.015,613 -0.102,614 -0.085,615 0.05,616 0.012,617 0.007,618 -0.154,619 -0.259,620 -0.366,621 0.124,622 -0.509,623 -0.492,624 0.131,625 -0.048,626 0.005,627 -0.596,628 -0.069,629 1.408,630 2.03,631 0.833,632 9.556,633 1.008,634 1.123,635 1.901,636 3.612,637 0.785,638 3.045,639 3.401,640 3.714,641 4.025,642 4.234,643 4.248,644 4.29,645 4.344,646 4.263,647 4.159,648 4.058,649 0.714,650 351.17,651 3.045,652 4.595,653 5.468,654 6.372,655 7.266,656 8.174,657 9.076,658 9.986,659 10.892,660 11.802,661 17.9,665 2,669 1,671 2,674 2,675 5,676 2,677 1,680 5,682 16,691 2,698 1,699 28,700 16,701 1,702 20,704 30,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 10,737 4,738 5,739 6,740 1,741 1,743 5,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,784 1,785 18,786 2,800 1,808 9.333,809 4.876,810 3.889,811 1.433,812 3.232,813 1.492,814 1.086,815 2.869,816 9.806,817 3.367,818 4.073,819 4.755,820 5.428,821 5.981,822 6.314,823 6.724,824 7.159,825 7.364,826 7.639,827 1,828 29,829 6.57,831 2.794,832 7.738,833 12.432,835 10.184,837 2.238,838 40.287,839 0.001,842 58.856,843 120.28,844 116.151,848 56.782,849 63.498,850 58.856,851 116.151,854 103.271,855 45.342,856 38.765,857 15.814,858 92.095,860 58.856,861 179.649,864 56.782,865 58.856,869 30.489,870 115.59,871 33.571,872 56.782,873 58.856,874 116.151,875 63.498,876 56.782,878 58.856,879 16.975,880 103.306,881 16.786,882 99.365,883 58.856,884 116.151,885 63.498,886 56.782,887 0.592,888 0.356,889 0.202,890 0.113,891 16,892 7,893 0.033,894 1,895 1,896 1.133,897 2.957,898 136.979,899 0.133,900 15,901 75.059,904 11.736,905 4.4,906 1.965,907 1.95,908 99.365,909 9.363,910 8.259,911 3.19,914 3.658,916 82.58,917 295.287,918 28,926 28.229,927 31.458,928 0.347,929 0.762,930 0.905,931 0.97,932 0.97,933 0.97,934 4.595,935 0.723,936 5.476,937 2.561,938 4.078,939 4.758,941 6.34,942 3.942,943 5.849,944 0.102,945 7.069,946 1.775,947 3.761,948 4.691,950 7.361,951 3.531,952 7.188,953 -0.319,954 8.765,955 0.225,956 5.714,957 7.101,959 10.51,960 5.498,961 8.567,962 -0.627,963 10.521,964 -0.733,965 6.217,966 7.879,968 12.393,969 5.942,970 9.98,971 -1,972 12.318,973 -1.734,974 7.669,975 9.758,977 15.075,978 7.396,979 11.417,980 -1,981 14.144,982 -2.391,983 8.545,984 10.936,986 17.301,987 8.238,988 12.874,989 -1.295,990 15.991,991 -2.901,992 9.811,993 12.601,995 19.828,996 9.495,997 3.262,998 -1.521,999 17.856,1000 -3.33,1001 10.853,1002 13.968,1004 22.19,1005 10.515,1006 2.781,1007 11.675,1008 19.733,1009 -3.9,1010 12.052,1011 15.546,1013 24.665,1014 11.701,1015 2.151,1016 9.023,1017 21.62,1018 4.64,1019 13.167,1020 17,1022 27.081,1023 12.797,1024 2,1025 5.935,1026 23.515,1027 3.877,1028 14.344,1029 18.544,1031 29.54,1032 13.958,1033 1.837,1034 5.675,1035 25.417,1036 2.895,1037 15.491,1038 20.038,1040 31.979,1041 15.088,1042 1.32,1043 5.202,1044 27.324,1045 2.804,1046 16.663,1047 21.57,1049 34.434,1050 16.242,1051 1,1052 3.292,1053 29.236,1054 2.535,1055 17.825,1056 23.083,1058 36.882,1059 17.386,1060 2479,1061 4600,1062 13.235,1063 21.972,1064 30.661,1065 30.867,1066 32.063,1067 30.506,1068 30.354,1069 42.645,1071 90.728,1072 27.879,1073 5.356,1074 5.315,1075 6.479,1076 5.309,1077 5.262,1078 7.64,1080 19.069,1081 5.181,1082 8.354,1083 1.533,1084 1.543,1085 1.603,1086 1.525,1087 1.518,1088 2.132,1090 4.536,1091 1.394,1092 4.142,1093 4.175,1094 10.695,1095 4.092,1096 5.239,1097 4.069,1098 3.785,1099 3.837,1100 4.101,1101 3.877,1102 5.134,1103 3.683,1104 3.4,1105 3.471,1106 3.688,1107 3.29,1108 4.786,1109 3.25,1110 3.095,1111 3.186,1112 3.305,1113 3.156,1114 4.553,1115 2.906,1116 3.012,1117 3.109,1118 2.972,1119 2.887,1120 4.211,1121 2.848,1122 2.675,1123 2.773,1124 2.751,1125 2.451,1126 3.902,1127 2.445,1128 2.431,1129 2.531,1130 2.568,1131 2.424,1132 3.517,1133 2.245,1134 2.306,1135 2.407,1136 2.247,1137 2.24,1138 3.349,1139 2.036,1140 0.234,1141 0.166,1142 0.347,1143 0.212,1144 0.163,1145 4.688,1146 0.232,1147 3.315,1149 6.935,1150 0.584,1151 4.237,1152 0.159,1153 3.262,1154 4.64,1156 11.675,1157 3.181,1158 1.949,1159 1.928,1160 2.019,1161 2.034,1162 1.166,1163 2.033,1164 1.759,1165 1.721,1166 1.788,1167 1.92,1168 0.88,1169 1.9,1170 1.402,1171 1.339,1172 1.543,1173 1.646,1174 0.533,1175 1.625,1176 1.029,1177 0.97,1178 1.231,1179 1.289,1180 0.28,1181 1.292,1182 0.931,1183 0.851,1184 1.217,1185 1.238,1186 0.079,1187 1.249,1188 0.901,1189 0.806,1190 1.138,1191 1.13,1193 1.146,1194 0.407,1195 0.324,1196 0.801,1197 0.696,1199 0.736,1200 0.311,1201 0.169,1202 0.602,1203 0.634,1205 0.636,1206 3.714,1208 5.056,1209 2.398,1210 6.603,1211 4.727,1212 8.246,1213 6.862,1214 9.94,1219 2.187,1220 11.679,1231 20.004,1232 46.757,1233 102.632,1234 121.851,1235 130.606,1236 130.606,1237 130.606,1238 20.008,1239 6.574,1240 93.61,1241 93.61,1242 17,1243 12.318,1244 4.087,1245 3.17,1246 25.505,1247 43,1248 38,1249 0.304,1250 134.763,1251 208.18,1252 320.581,1253 5182,1254 3.6,1255 12.698,1256 0.705,1257 0.637,1258 14.198,1259 11.471,1260 8.665,1261 0.433,1262 0.319,1263 5.304,1264 7.734,1265 5.139,1266 4.251,1267 9.531,1268 6.384,1269 8.046,1270 0.277,1271 0.174,1272 9.159,1273 5.059,1274 6.871,1275 0.172,1276 0.089,1277 7.946,1278 3.545,1279 5.931,1280 0.108,1281 0.046,1282 6.756,1283 2.52,1284 4.871,1285 0.072,1286 0.025,1287 5.983,1288 1.73,1289 0.444,1290 67.45,1291 0.275,1292 17.436,1293 0.937,1294 98,1295 267.896,1296 254.625,1297 312.446,1298 425.49,1299 290,1300 118,1301 297.253,1302 186.244,1303 319.671,1304 469.87,1305 301,1306 5.553} {0 CHEMBL1802408,1 1.67,2 6.444,3 1.898,4 3.601,5 80.328,6 12.542,7 0.8,8 3.48,9 3.613,10 3.491,11 3.141,12 4.715,13 3.089,14 3.902,15 4.045,16 3.969,17 3.565,18 5.131,19 3.471,20 4.084,21 4.254,22 4.193,23 3.665,24 5.24,25 3.534,26 4.085,27 4.287,28 4.061,29 3.633,30 5.152,31 3.451,32 4.012,33 4.224,34 4.243,35 3.557,36 5.122,37 3.347,38 3.88,39 4.091,40 3.782,41 3.398,42 5.065,43 3.138,44 3.698,45 3.97,46 3.574,47 3.012,48 4.781,49 2.772,50 3.294,51 3.57,52 2.3,53 2.496,54 4.451,55 2.17,56 0.064,57 0.479,58 1.286,59 2.028,60 10.215,61 1.986,62 0.117,63 0.729,64 3.636,65 3.737,66 13.351,67 4.154,68 0.105,69 0.856,70 15.452,71 5.575,72 15.628,73 4.983,74 0.134,75 0.809,76 8.521,77 5.581,78 16.493,79 5.925,80 0.108,81 0.771,82 21.779,83 6.634,84 15.462,85 6.104,86 0.176,87 0.691,88 40.964,89 7.364,90 20.188,91 5.169,92 0.14,93 0.525,94 19.664,95 4.899,96 18.836,97 4.134,98 0.107,99 0.338,100 32.898,101 4.819,102 18.104,103 3.693,104 10,105 29,106 0.318,107 0.698,108 0.829,109 0.889,110 0.889,111 0.889,112 2.963,113 0.957,114 -3.13,115 -3.13,116 -3.01,119 42.9,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 2,153 2,154 2,159 3,161 1,162 1,163 2,164 2,166 5,168 3,170 2,172 3,176 4,178 4,180 2,182 2,185 1,187 2,190 2,192 2,194 2,198 1,199 3,201 1,202 1,204 2,206 2,208 1,209 2,210 1,211 1,212 1,213 1,215 1,217 1,222 2,224 1,226 2,229 1,231 1,232 1,233 1,234 1,236 2,239 1,240 1,255 340,256 12.016,257 12.016,258 12.016,259 12.016,260 12.016,261 10.068,262 8.085,263 6.922,264 12.433,265 9.859,266 9.859,267 9.859,268 9.859,269 9.859,270 6.986,271 5.775,272 3.296,273 10.649,274 3.137,275 1.142,276 0.456,277 0.143,278 0.143,279 0.143,280 3.636,284 1,285 249,286 1.871,288 31.833,289 89.244,291 60.372,295 1,296 13.021,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 37.9,307 116,308 4.637,309 3.274,310 6.803,311 4.184,312 3.213,313 4.571,315 11.227,316 3.123,317 4.181,318 2.896,319 6.082,320 3.675,321 2.752,322 3.868,324 8.736,325 2.512,326 3.622,327 2.332,328 5.1,329 3.189,330 2.233,331 3.051,333 6.05,334 2.123,335 3.457,336 2.303,337 4.955,338 2.993,339 2.08,340 2.809,342 5.767,343 1.907,344 3.219,345 1.954,346 4.873,347 2.697,348 1.805,349 2.509,351 5.263,352 1.485,353 2.799,354 1.355,355 4.256,356 2.284,357 1.329,358 1.935,360 3.666,361 1.205,362 2.558,363 1.077,364 3.83,365 2.007,366 1.067,367 1.586,369 2.754,370 0.997,371 2.073,372 0.694,373 3.233,374 1.558,375 0.61,376 0.88,378 1.486,379 0.564,380 1.377,381 0.483,382 2.654,383 0.858,384 0.097,385 0.119,386 0.214,387 0.031,388 0.999,389 -0.209,390 2.375,391 0.594,392 -0.344,393 -0.437,394 -0.823,395 -0.315,396 0.687,397 -0.513,398 2.366,399 0.221,400 -0.734,401 -0.941,402 -2.057,403 -0.47,404 0.567,405 -0.762,406 2,407 0.066,408 -0.91,409 -1.229,411 -2.536,412 -0.72,413 0.202,414 -0.9,415 2,416 -0.235,417 -1,418 -1.348,420 -2.757,421 -0.896,422 0.037,423 -1.176,424 1.756,425 -0.365,426 -1.276,427 -1.711,429 -3.216,430 -1.174,431 -0.079,432 -1.366,433 1.323,434 -0.553,435 -1.505,436 -2.038,438 -3.9,439 -1.283,440 9.643,441 0.536,442 0.524,443 0.029,444 27,445 1.5,446 15,447 0.833,448 12,449 0.667,450 12.232,451 0.68,452 17.357,453 0.62,454 15.388,455 0.855,456 5.062,457 0.281,458 3.586,459 0.199,460 0.253,462 0.363,466 1.293,467 0.971,468 0.458,469 0.456,470 1.41,471 0.566,472 0.624,473 0.867,474 0.567,475 0.58,476 0.469,477 0.703,478 1.078,479 1.176,480 0.954,481 1.029,482 0.927,483 1.01,484 0.859,485 0.952,486 0.699,487 0.709,488 0.89,489 0.922,490 0.731,491 1.2,492 1.223,493 1.224,494 0.658,495 1.04,496 1.114,497 1.07,498 1.895,499 1.747,500 1.188,501 1.447,502 1.398,503 1.009,504 1.072,505 1.06,506 1.327,507 1.034,508 0.796,509 1.08,510 1.778,511 1.816,512 1.045,513 1.655,514 4,516 2.444,517 1.319,518 1.187,519 0.566,520 0.32,521 0.153,522 0.041,524 2549,525 8448,526 2.086,527 35.7,529 3,530 1,531 1,532 5,536 1.592,537 1.929,538 2.768,539 3.026,541 1,543 1,544 1,545 46.757,546 1.67,547 3.665,548 4.352,549 4.664,550 4.664,551 4.664,552 2.171,553 3.53,554 4.146,555 2.844,556 435.089,557 7.061,558 3996.66,559 1,560 1,562 1,563 134.606,564 1.481,565 4.09,566 0.2,568 0.084,569 0.047,570 0.049,571 0.026,572 0.02,573 0.015,574 0.01,576 0.452,577 0.33,578 1,579 0.662,580 74.238,581 -0.332,582 0.097,583 -0.008,584 0.077,585 -0.433,586 0.124,587 0.21,588 0.149,589 0.008,590 0.061,591 0.223,592 0.074,593 -0.195,594 -0.178,595 -0.027,596 -0.116,597 -0.13,598 -0.126,599 -0.029,600 -0.022,601 0.022,602 0.074,603 -0.103,604 0.003,605 0.136,606 -0.266,607 0.006,608 -0.056,609 0.198,610 0.013,611 -0.007,612 -0.029,613 -0.218,614 -0.257,615 -0.109,616 -0.386,617 -0.254,618 -0.082,619 -0.012,620 0.003,621 -0.12,622 0.032,623 0.275,624 -0.178,625 -0.244,626 -0.393,627 0.307,628 -0.457,629 1.399,630 1.825,631 0.833,632 9.778,633 1.008,634 1.123,635 1.901,636 3.612,637 0.785,638 3.045,639 3.401,640 3.689,641 3.989,642 4.234,643 4.248,644 4.304,645 4.369,646 4.248,647 4.205,648 4.157,649 0.714,650 351.17,651 3.045,652 4.595,653 5.46,654 6.358,655 7.246,656 8.148,657 9.045,658 9.949,659 10.85,660 11.754,661 17.9,665 2,669 1,671 2,674 2,675 5,676 2,677 1,680 5,682 16,691 2,698 1,699 28,700 16,701 1,702 20,704 30,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 10,737 4,738 5,739 6,740 1,741 1,743 5,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,784 1,785 18,786 2,800 1,808 9.333,809 4.876,810 3.861,811 1.426,812 3.217,813 1.489,814 1.086,815 2.869,816 9.791,817 3.367,818 4.073,819 4.735,820 5.403,821 5.985,822 6.322,823 6.737,824 7.173,825 7.352,826 7.671,827 1,828 28,829 6.567,831 2.787,832 7.738,833 12.432,835 10.18,837 2.238,838 40.287,839 0.001,842 58.856,843 120.28,844 116.151,848 56.782,849 63.498,850 58.856,851 116.151,854 103.271,855 45.342,856 38.765,857 15.814,858 92.095,860 58.856,861 179.649,864 56.782,865 58.856,869 30.489,870 115.59,871 33.571,872 56.782,873 58.856,874 116.151,875 63.498,876 56.782,878 58.856,879 16.975,880 103.306,881 16.786,882 99.365,883 58.856,884 116.151,885 63.498,886 56.782,887 0.593,888 0.347,889 0.192,890 0.115,891 16,892 7,893 0.033,894 1,895 1,896 1.133,897 2.979,898 135.871,899 0.133,900 15,901 75.059,904 11.736,905 4.4,906 2.071,907 2.054,908 99.365,909 9.362,910 8.264,911 3.2,914 3.741,916 82.58,917 295.287,918 28,926 28.229,927 31.458,928 0.347,929 0.762,930 0.905,931 0.97,932 0.97,933 0.97,934 4.595,935 0.61,936 5.468,937 2.754,938 4.078,939 4.758,941 6.312,942 3.942,943 5.849,944 0.097,945 7.048,946 1.486,947 3.761,948 4.691,950 7.273,951 3.531,952 7.185,953 -0.344,954 8.727,955 0.214,956 5.7,957 7.089,959 10.399,960 5.483,961 8.558,962 -0.734,963 10.464,964 -0.823,965 6.176,966 7.84,968 12.209,969 5.894,970 9.962,971 -0.91,972 12.239,973 -2.057,974 7.623,975 9.717,977 14.869,978 7.343,979 11.389,980 -1,981 14.042,982 -2.536,983 8.465,984 10.861,986 17.032,987 8.143,988 12.834,989 -1.276,990 15.866,991 -2.757,992 9.724,993 12.522,995 19.532,996 9.392,997 3.213,998 -1.505,999 17.707,1000 -3.216,1001 10.737,1002 13.859,1004 21.841,1005 10.375,1006 2.752,1007 11.227,1008 19.561,1009 -3.9,1010 11.924,1011 15.428,1013 24.283,1014 11.546,1015 2.233,1016 8.736,1017 21.426,1018 4.571,1019 13.015,1020 16.857,1022 26.653,1023 12.613,1024 2.08,1025 6.05,1026 23.3,1027 3.868,1028 14.178,1029 18.389,1031 29.076,1032 13.757,1033 1.805,1034 5.767,1035 25.18,1036 3.051,1037 15.305,1038 19.861,1040 31.471,1041 14.862,1042 1.329,1043 5.263,1044 27.066,1045 2.809,1046 16.461,1047 21.379,1049 33.889,1050 15.998,1051 1.067,1052 3.666,1053 28.956,1054 2.509,1055 17.605,1056 22.873,1058 36.296,1059 17.119,1060 2526,1061 4691,1062 13.235,1063 21.972,1064 30.689,1065 30.856,1066 31.866,1067 30.532,1068 30.372,1069 42.658,1071 90.326,1072 27.892,1073 5.305,1074 5.274,1075 6.15,1076 5.256,1077 5.213,1078 7.571,1080 18.574,1081 5.123,1082 8.493,1083 1.534,1084 1.543,1085 1.593,1086 1.527,1087 1.519,1088 2.133,1090 4.516,1091 1.395,1092 4.14,1093 4.173,1094 10.695,1095 4.091,1096 5.236,1097 4.067,1098 3.786,1099 3.838,1100 4.097,1101 3.876,1102 5.13,1103 3.684,1104 3.433,1105 3.507,1106 3.69,1107 3.305,1108 4.832,1109 3.275,1110 3.053,1111 3.145,1112 3.346,1113 3.16,1114 4.55,1115 2.879,1116 2.952,1117 3.028,1118 2.899,1119 2.843,1120 4.063,1121 2.817,1122 2.696,1123 2.83,1124 2.73,1125 2.447,1126 3.898,1127 2.409,1128 2.585,1129 2.665,1130 2.503,1131 2.402,1132 3.646,1133 2.369,1134 2.236,1135 2.35,1136 2.472,1137 2.334,1138 3.463,1139 2.015,1140 0.232,1141 0.164,1142 0.34,1143 0.209,1144 0.161,1145 4.637,1146 0.229,1147 3.274,1149 6.803,1150 0.561,1151 4.184,1152 0.156,1153 3.213,1154 4.571,1156 11.227,1157 3.123,1158 1.949,1159 1.928,1160 2.019,1161 2.033,1162 1.165,1163 2.032,1164 1.76,1165 1.721,1166 1.788,1167 1.921,1168 0.88,1169 1.9,1170 1.399,1171 1.337,1172 1.542,1173 1.641,1174 0.536,1175 1.622,1176 1.087,1177 1.021,1178 1.282,1179 1.354,1180 0.252,1181 1.346,1182 0.933,1183 0.852,1184 1.171,1185 1.214,1186 0.105,1187 1.231,1188 0.796,1189 0.717,1190 1.105,1191 1.034,1193 1.064,1194 0.474,1195 0.367,1196 0.841,1197 0.795,1199 0.816,1200 0.295,1201 0.167,1202 0.61,1203 0.606,1205 0.618,1206 3.714,1208 5.056,1209 2.398,1210 6.594,1211 4.727,1212 8.225,1213 6.843,1214 9.905,1219 2.194,1220 11.472,1231 20.004,1232 46.757,1233 102.632,1234 121.851,1235 130.606,1236 130.606,1237 130.606,1238 19.411,1239 6.574,1240 93.61,1241 93.61,1242 17,1243 12.273,1244 4.087,1245 3.17,1246 25.548,1247 44,1248 39,1249 0.296,1250 134.763,1251 208.18,1252 320.581,1253 5184,1254 3.6,1255 12.698,1256 0.705,1257 0.637,1258 14.198,1259 11.471,1260 8.648,1261 0.432,1262 0.319,1263 5.298,1264 7.715,1265 5.13,1266 4.245,1267 9.514,1268 6.378,1269 8.143,1270 0.281,1271 0.176,1272 9.255,1273 5.094,1274 6.801,1275 0.174,1276 0.09,1277 7.876,1278 3.513,1279 5.696,1280 0.107,1281 0.046,1282 6.521,1283 2.454,1284 4.932,1285 0.073,1286 0.026,1287 6.066,1288 1.756,1289 0.436,1290 67.349,1291 0.275,1292 17.52,1293 0.901,1294 98,1295 267.896,1296 254.625,1297 312.681,1298 424.95,1299 290,1300 117,1301 296.253,1302 185.077,1303 319.05,1304 467.19,1305 300,1306 5.638} {0 CHEMBL1802409,1 1.67,2 7,3 1.898,4 3.601,5 80.328,6 12.542,7 0.8,8 3.48,9 3.613,10 3.491,11 3.141,12 4.715,13 3.089,14 3.902,15 4.045,16 3.969,17 3.565,18 5.131,19 3.471,20 4.084,21 4.254,22 4.193,23 3.665,24 5.239,25 3.534,26 4.085,27 4.287,28 4.064,29 3.63,30 5.169,31 3.448,32 4.017,33 4.235,34 4.227,35 3.547,36 5.113,37 3.334,38 3.862,39 4.084,40 3.747,41 3.384,42 4.968,43 3.104,44 3.59,45 3.848,46 3.185,47 2.93,48 4.687,49 2.678,50 3.23,51 3.524,52 2.955,53 2.338,54 4.315,55 2.162,56 0.064,57 0.479,58 1.286,59 2.028,60 10.215,61 1.986,62 0.117,63 0.729,64 3.636,65 3.737,66 13.351,67 4.154,68 0.105,69 0.856,70 15.452,71 5.575,72 15.585,73 4.983,74 0.146,75 0.813,76 8.456,77 5.595,78 17.295,79 6.023,80 0.119,81 0.771,82 21.226,83 6.529,84 16.656,85 5.719,86 0.146,87 0.656,88 43.48,89 7.699,90 17.467,91 5.738,92 0.123,93 0.47,94 25.499,95 5.008,96 16.869,97 4.139,98 0.096,99 0.315,100 7.719,101 2.473,102 13.991,103 2.328,104 10,105 29,106 0.318,107 0.698,108 0.829,109 0.889,110 0.889,111 0.889,112 2.963,113 0.957,114 -3.13,115 -3.13,116 -3.01,119 42.9,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 2,153 2,154 2,159 3,161 1,162 1,163 2,164 2,166 5,168 4,170 2,172 3,176 2,178 4,180 1,182 2,185 1,186 1,187 3,189 1,190 1,192 2,194 3,199 4,202 1,204 3,206 1,209 1,210 1,211 1,212 1,213 2,215 1,217 2,219 1,220 1,222 2,226 2,234 1,239 1,244 1,245 1,246 1,249 2,254 1,255 338,256 12.016,257 12.016,258 12.016,259 12.016,260 12.016,261 10.068,262 8.085,263 6.92,264 12.433,265 9.859,266 9.859,267 9.859,268 9.859,269 9.859,270 6.986,271 5.775,272 3.292,273 10.648,274 3.137,275 1.142,276 0.456,277 0.143,278 0.143,279 0.143,280 3.636,284 1,285 271,286 1.871,288 31.833,289 89.45,291 60.372,295 1.111,296 12.881,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 37.9,307 126,308 4.635,309 3.271,310 6.8,311 4.181,312 3.21,313 4.568,315 11.209,316 3.119,317 4.186,318 2.898,319 6.084,320 3.683,321 2.757,322 3.874,324 8.751,325 2.527,326 3.658,327 2.363,328 5.196,329 3.22,330 2.265,331 3.104,333 6.314,334 2.145,335 3.422,336 2.307,337 4.92,338 2.953,339 2.056,340 2.746,342 5.642,343 1.84,344 3.144,345 1.855,346 4.765,347 2.628,348 1.721,349 2.42,351 4.952,352 1.484,353 2.902,354 1.465,355 4.296,356 2.395,357 1.44,358 2.078,360 3.876,361 1.274,362 2.546,363 1.058,364 3.85,365 1.993,366 1.052,367 1.569,369 2.781,370 0.984,371 2.05,372 0.662,373 3.218,374 1.528,375 0.579,376 0.843,378 1.4,379 0.538,380 1.375,381 0.484,382 2.66,383 0.857,384 0.099,385 0.12,386 0.217,387 0.031,388 0.966,389 -0.225,390 2.374,391 0.577,392 -0.37,393 -0.464,394 -0.904,395 -0.344,396 0.757,397 -0.506,398 2.366,399 0.286,400 -0.666,401 -0.881,402 -1.888,403 -0.47,404 0.55,405 -0.704,406 2,407 0.034,408 -0.931,409 -1.196,411 -2.386,412 -0.645,413 0.193,414 -0.929,415 2,416 -0.253,417 -1,418 -1.39,420 -2.837,421 -0.906,422 -0.013,423 -1.208,424 1.756,425 -0.367,426 -1.314,427 -1.754,429 -3.305,430 -1.23,431 -0.035,432 -1.359,433 1.323,434 -0.541,435 -1.482,436 -2.022,438 -3.9,439 -1.285,440 9.643,441 0.536,442 0.524,443 0.029,444 27,445 1.5,446 15,447 0.833,448 12,449 0.667,450 12.19,451 0.677,452 17.357,453 0.62,454 15.34,455 0.852,456 5.062,457 0.281,458 3.586,459 0.199,460 0.253,462 0.363,466 1.293,467 0.971,468 0.458,469 0.456,470 1.41,471 0.566,472 0.624,473 0.867,474 0.567,475 0.58,476 0.469,477 0.703,478 1.078,479 1.176,480 0.954,481 1.029,482 0.934,483 1.01,484 0.758,485 0.926,486 0.698,487 0.715,488 0.82,489 0.937,490 1.018,491 1.166,492 1.23,493 1.207,494 0.814,495 1.033,496 0.94,497 1.061,498 1.888,499 1.742,500 1.04,501 1.409,502 1.118,503 1.021,504 1.267,505 1.249,506 1.134,507 1.235,508 1.525,509 1.059,510 0.57,511 0.717,512 1.685,513 0.921,514 4,516 2.444,517 1.444,518 1.187,519 0.566,520 0.318,521 0.186,522 0.082,523 0.016,524 2585,525 8588,526 2.086,527 35.7,529 3,530 1,531 1,532 5,536 1.591,537 1.929,538 2.834,539 3.026,541 1,543 1,544 1,545 46.757,546 1.67,547 3.665,548 4.352,549 4.664,550 4.664,551 4.664,552 2.308,553 3.837,554 4.144,555 2.911,556 445.434,557 7.051,558 4047.15,559 1,560 1,562 1,563 134.606,564 1.481,565 4.09,566 0.2,568 0.084,569 0.052,570 0.049,571 0.027,572 0.021,573 0.021,574 0.016,575 0.008,576 0.478,577 0.33,578 1,579 0.662,580 74.468,581 -0.332,582 0.097,583 -0.008,584 0.077,585 -0.433,586 0.124,587 0.21,588 0.149,589 0.008,590 0.061,591 0.223,592 0.074,593 -0.195,594 -0.178,595 -0.027,596 -0.116,597 -0.137,598 -0.126,599 0.076,600 0.005,601 0.023,602 0.068,603 -0.03,604 -0.013,605 -0.087,606 -0.215,607 -0.001,608 -0.039,609 0.049,610 0.009,611 0.032,612 -0.078,613 -0.2,614 -0.229,615 -0.08,616 -0.281,617 -0.055,618 -0.095,619 -0.107,620 -0.115,621 0.004,622 -0.159,623 -0.253,624 -0.165,625 0.073,626 0.041,627 -0.202,628 0.089,629 1.393,630 1.759,631 0.833,632 10.222,633 1.008,634 1.123,635 1.901,636 3.612,637 0.785,638 3.045,639 3.401,640 3.689,641 3.989,642 4.22,643 4.248,644 4.317,645 4.382,646 4.263,647 4.159,648 4.247,649 0.714,650 351.17,651 3.045,652 4.595,653 5.46,654 6.358,655 7.245,656 8.147,657 9.043,658 9.946,659 10.846,660 11.75,661 17.9,665 2,669 1,671 2,674 2,675 5,676 2,677 1,680 5,682 16,691 2,698 1,699 28,700 16,701 1,702 20,704 30,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 10,737 4,738 5,739 6,740 1,741 1,743 5,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,784 1,785 18,786 2,800 1,808 9.333,809 4.876,810 3.861,811 1.426,812 3.221,813 1.49,814 1.086,815 2.869,816 9.794,817 3.367,818 4.073,819 4.735,820 5.403,821 5.977,822 6.322,823 6.749,824 7.179,825 7.355,826 7.647,827 0.8,828 28,829 6.566,831 2.785,832 7.738,833 12.432,835 10.18,837 2.238,838 40.287,839 0.001,842 58.856,843 120.28,844 116.151,848 56.782,849 63.498,850 58.856,851 116.151,854 103.271,855 45.342,856 38.765,857 15.814,858 92.095,860 58.856,861 179.649,864 56.782,865 58.856,869 30.489,870 115.59,871 33.571,872 56.782,873 58.856,874 116.151,875 63.498,876 56.782,878 58.856,879 16.975,880 103.306,881 16.786,882 99.365,883 58.856,884 116.151,885 63.498,886 56.782,887 0.593,888 0.347,889 0.192,890 0.112,891 16,892 7,893 0.033,894 1,895 1,896 1.133,897 2.988,898 135.484,899 0.133,900 15,901 75.059,904 11.736,905 4.4,906 2.071,907 2.054,908 99.365,909 9.376,910 8.268,911 3.19,914 3.796,916 82.58,917 295.287,918 28,926 28.229,927 31.458,928 0.347,929 0.762,930 0.905,931 0.97,932 0.97,933 0.97,934 4.595,935 0.579,936 5.468,937 2.781,938 4.078,939 4.758,941 6.312,942 3.942,943 5.849,944 0.099,945 7.048,946 1.4,947 3.761,948 4.691,950 7.273,951 3.531,952 7.185,953 -0.37,954 8.727,955 0.217,956 5.7,957 7.089,959 10.398,960 5.483,961 8.558,962 -0.666,963 10.464,964 -0.904,965 6.176,966 7.84,968 12.207,969 5.894,970 9.962,971 -0.931,972 12.239,973 -1.888,974 7.623,975 9.717,977 14.865,978 7.342,979 11.389,980 -1,981 14.042,982 -2.386,983 8.465,984 10.861,986 17.026,987 8.142,988 12.834,989 -1.314,990 15.866,991 -2.837,992 9.723,993 12.522,995 19.523,996 9.39,997 3.21,998 -1.482,999 17.706,1000 -3.305,1001 10.736,1002 13.858,1004 21.83,1005 10.372,1006 2.757,1007 11.209,1008 19.56,1009 -3.9,1010 11.922,1011 15.426,1013 24.271,1014 11.542,1015 2.265,1016 8.751,1017 21.425,1018 4.568,1019 13.012,1020 16.854,1022 26.638,1023 12.607,1024 2.056,1025 6.314,1026 23.297,1027 3.874,1028 14.173,1029 18.386,1031 29.059,1032 13.749,1033 1.721,1034 5.642,1035 25.177,1036 3.104,1037 15.299,1038 19.857,1040 31.452,1041 14.851,1042 1.44,1043 4.952,1044 27.062,1045 2.746,1046 16.454,1047 21.375,1049 33.868,1050 15.986,1051 1.052,1052 3.876,1053 28.952,1054 2.42,1055 17.597,1056 22.867,1058 36.273,1059 17.105,1060 2560,1061 4758,1062 13.235,1063 21.972,1064 30.684,1065 30.843,1066 31.859,1067 30.519,1068 30.361,1069 42.644,1071 90.288,1072 27.882,1073 5.302,1074 5.271,1075 6.123,1076 5.253,1077 5.21,1078 7.568,1080 18.568,1081 5.119,1082 8.574,1083 1.534,1084 1.542,1085 1.593,1086 1.526,1087 1.518,1088 2.132,1090 4.514,1091 1.394,1092 4.14,1093 4.173,1094 10.695,1095 4.091,1096 5.236,1097 4.067,1098 3.787,1099 3.838,1100 4.097,1101 3.877,1102 5.132,1103 3.684,1104 3.43,1105 3.502,1106 3.691,1107 3.307,1108 4.826,1109 3.275,1110 3.044,1111 3.137,1112 3.344,1113 3.159,1114 4.545,1115 2.872,1116 2.972,1117 3.06,1118 2.885,1119 2.832,1120 4.09,1121 2.817,1122 2.724,1123 2.828,1124 2.749,1125 2.474,1126 3.924,1127 2.483,1128 2.516,1129 2.616,1130 2.594,1131 2.444,1132 3.58,1133 2.286,1134 2.246,1135 2.359,1136 2.342,1137 2.259,1138 3.44,1139 2.014,1140 0.232,1141 0.164,1142 0.34,1143 0.209,1144 0.161,1145 4.635,1146 0.228,1147 3.271,1149 6.8,1150 0.56,1151 4.181,1152 0.156,1153 3.21,1154 4.568,1156 11.209,1157 3.119,1158 1.949,1159 1.928,1160 2.019,1161 2.033,1162 1.165,1163 2.032,1164 1.76,1165 1.722,1166 1.787,1167 1.923,1168 0.879,1169 1.901,1170 1.397,1171 1.336,1172 1.54,1173 1.633,1174 0.537,1175 1.616,1176 1.085,1177 1.016,1178 1.287,1179 1.368,1180 0.255,1181 1.356,1182 0.94,1183 0.856,1184 1.183,1185 1.229,1186 0.102,1187 1.245,1188 0.8,1189 0.726,1190 1.085,1191 1.007,1193 1.037,1194 0.449,1195 0.346,1196 0.842,1197 0.782,1199 0.811,1200 0.311,1201 0.179,1202 0.607,1203 0.622,1205 0.626,1206 3.714,1208 5.056,1209 2.398,1210 6.594,1211 4.727,1212 8.225,1213 6.843,1214 9.904,1219 2.198,1220 11.405,1231 20.004,1232 46.757,1233 102.632,1234 121.851,1235 130.606,1236 130.606,1237 130.606,1238 19.299,1239 6.574,1240 93.61,1241 93.61,1242 17,1243 12.27,1244 4.087,1245 3.17,1246 25.604,1247 45,1248 46,1249 0.291,1250 134.763,1251 208.18,1252 320.581,1253 5184,1254 3.6,1255 12.698,1256 0.705,1257 0.637,1258 14.198,1259 11.471,1260 8.648,1261 0.432,1262 0.319,1263 5.298,1264 7.715,1265 5.13,1266 4.245,1267 9.514,1268 6.378,1269 8.143,1270 0.281,1271 0.176,1272 9.255,1273 5.094,1274 6.794,1275 0.174,1276 0.09,1277 7.87,1278 3.513,1279 5.743,1280 0.108,1281 0.046,1282 6.568,1283 2.46,1284 4.851,1285 0.072,1286 0.026,1287 5.985,1288 1.738,1289 0.432,1290 67.349,1291 0.275,1292 17.588,1293 0.876,1294 98,1295 267.896,1296 254.625,1297 312.681,1298 424.95,1299 290,1300 117,1301 296.253,1302 185.077,1303 319.05,1304 467.19,1305 300,1306 6.658} {0 CHEMBL1802410,1 1.67,2 6.444,3 1.898,4 3.601,5 80.328,6 12.542,7 0.8,8 3.48,9 3.613,10 3.491,11 3.141,12 4.716,13 3.089,14 3.902,15 4.045,16 3.969,17 3.565,18 5.122,19 3.471,20 4.085,21 4.254,22 4.211,23 3.667,24 5.255,25 3.541,26 4.098,27 4.292,28 4.084,29 3.646,30 5.229,31 3.479,32 4.075,33 4.3,34 4.214,35 3.581,36 5.121,37 3.349,38 3.86,39 4.092,40 3.77,41 3.37,42 4.993,43 3.097,44 3.606,45 3.853,46 3.573,47 2.983,48 4.746,49 2.755,50 3.294,51 3.57,52 2.3,53 2.496,54 4.451,55 2.17,56 0.064,57 0.479,58 1.286,59 2.028,60 10.221,61 1.986,62 0.117,63 0.729,64 3.636,65 3.737,66 13.253,67 4.154,68 0.113,69 0.863,70 16.154,71 5.634,72 15.3,73 5.149,74 0.152,75 0.84,76 6.07,77 5.233,78 17.809,79 5.257,80 0.115,81 0.795,82 22.238,83 7.028,84 18.254,85 6.535,86 0.161,87 0.656,88 45.941,89 7.911,90 19.035,91 6.054,92 0.122,93 0.497,94 15.976,95 4.246,96 16.302,97 3.321,98 0.107,99 0.338,100 32.898,101 4.819,102 18.104,103 3.693,104 10,105 29,106 0.318,107 0.698,108 0.829,109 0.889,110 0.889,111 0.889,112 2.963,113 0.958,114 -3.13,115 -3.13,116 -3.01,119 42.9,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 2,153 2,154 2,159 4,161 1,162 1,163 2,164 2,166 3,168 3,170 1,172 3,175 1,176 4,177 1,178 3,180 2,182 2,185 1,187 4,190 2,192 3,194 2,199 3,202 1,204 2,206 2,208 1,209 2,210 1,211 1,212 1,213 1,215 1,217 1,222 2,224 1,226 2,229 1,231 1,232 1,233 1,234 1,236 2,239 1,240 1,255 334,256 12.069,257 12.069,258 12.069,259 12.069,260 12.069,261 10.101,262 8.085,263 6.943,264 12.478,265 9.843,266 9.843,267 9.843,268 9.843,269 9.843,270 6.965,271 5.775,272 3.263,273 10.626,274 3.137,275 1.142,276 0.456,277 0.143,278 0.143,279 0.143,280 3.636,284 1,285 249,286 1.871,288 31.017,289 88.843,291 59.906,295 1,296 13.177,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 37.9,307 116,308 4.669,309 3.294,310 6.859,311 4.213,312 3.24,313 4.622,315 11.405,316 3.153,317 4.222,318 2.962,319 6.253,320 3.736,321 2.811,322 3.902,324 9.218,325 2.579,326 3.642,327 2.337,328 5.424,329 3.195,330 2.25,331 3.082,333 6.616,334 2.107,335 3.369,336 2.296,337 4.918,338 2.874,339 2,340 2.676,342 5.584,343 1.697,344 3.049,345 1.611,346 4.543,347 2.526,348 1.553,349 2.323,351 4.218,352 1.506,353 2.891,354 1.54,355 4.091,356 2.402,357 1.482,358 2.045,360 3.667,361 1.235,362 2.5,363 1,364 3.847,365 1.954,366 1,367 1.5,369 2.647,370 0.95,371 2.192,372 0.806,373 3.296,374 1.683,375 0.747,376 1.061,378 1.799,379 0.69,380 1.374,381 0.537,382 2.662,383 0.853,384 0.101,385 0.122,386 0.221,387 0.031,388 1.06,389 -0.179,390 2.367,391 0.65,392 -0.302,393 -0.391,394 -0.687,395 -0.282,396 0.749,397 -0.498,398 2.366,399 0.301,400 -0.652,401 -0.85,402 -1.772,403 -0.47,404 0.5,405 -0.704,406 2,407 -0.03,408 -1,409 -1.207,411 -2.384,412 -0.636,413 0.19,414 -1,415 2,416 -0.265,417 -1,418 -1.5,420 -2.901,421 -0.968,422 0.016,423 -1.211,424 1.754,425 -0.367,426 -1.324,427 -1.753,429 -3.378,430 -1.248,431 -0.095,432 -1.357,433 1.323,434 -0.554,435 -1.493,436 -2.017,438 -3.9,439 -1.278,440 9.643,441 0.536,442 0.507,443 0.028,444 27,445 1.5,446 15,447 0.833,448 12,449 0.667,450 12.27,451 0.682,452 17.357,453 0.62,454 15.427,455 0.857,456 5.077,457 0.282,458 3.588,459 0.199,460 0.253,462 0.363,466 1.293,467 0.971,468 0.458,469 0.456,470 1.405,471 0.566,472 0.624,473 0.867,474 0.567,475 0.58,476 0.512,477 0.703,478 0.937,479 1.168,480 0.948,481 1.025,482 0.804,483 0.979,484 1.099,485 0.986,486 0.705,487 0.707,488 1.04,489 0.937,490 0.866,491 1.153,492 1.152,493 1.177,494 0.838,495 1.11,496 0.753,497 0.993,498 1.876,499 1.707,500 0.827,501 1.287,502 1.557,503 1.124,504 1.195,505 1.181,506 1.479,507 1.152,508 0.796,509 1.08,510 1.778,511 1.816,512 1.045,513 1.655,514 3.5,516 2.667,517 1.472,518 1.152,519 0.486,520 0.32,521 0.153,522 0.041,524 2533,525 8396,526 2.086,527 35.7,529 3,530 1,531 1,532 5,536 1.592,537 1.929,538 2.762,539 3.026,541 1,543 1,544 1,545 46.757,546 1.67,547 3.665,548 4.352,549 4.664,550 4.664,551 4.664,552 2.171,553 3.614,554 4.146,555 2.839,556 434.425,557 7.061,558 3975.37,559 1,560 1,562 1,563 134.606,564 1.481,565 4.09,566 0.175,568 0.092,569 0.051,570 0.046,571 0.024,572 0.02,573 0.015,574 0.01,576 0.434,577 0.33,578 1,579 0.662,580 74.146,581 -0.332,582 0.097,583 -0.008,584 0.077,585 -0.428,586 0.124,587 0.21,588 0.149,589 0.008,590 0.061,591 0.178,592 0.074,593 -0.049,594 -0.17,595 -0.021,596 -0.112,597 -0.003,598 -0.094,599 -0.165,600 -0.01,601 0.006,602 0.058,603 -0.16,604 -0.065,605 -0.025,606 -0.243,607 0.005,608 -0.056,609 -0.001,610 -0.047,611 0.243,612 -0.019,613 -0.182,614 -0.183,615 0.159,616 -0.135,617 -0.371,618 -0.144,619 -0.043,620 -0.067,621 -0.236,622 -0.137,623 0.275,624 -0.178,625 -0.244,626 -0.393,627 0.307,628 -0.457,629 1.399,630 1.925,631 0.833,632 9.778,633 1.008,634 1.123,635 1.901,636 3.612,637 0.785,638 3.045,639 3.401,640 3.714,641 4.007,642 4.22,643 4.248,644 4.317,645 4.382,646 4.248,647 4.159,648 4.137,649 0.714,650 351.17,651 3.045,652 4.595,653 5.468,654 6.368,655 7.262,656 8.167,657 9.068,658 9.974,659 10.879,660 11.786,661 17.9,665 2,669 1,671 2,674 2,675 5,676 2,677 1,680 5,682 16,691 2,698 1,699 28,700 16,701 1,702 20,704 30,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 10,737 4,738 5,739 6,740 1,741 1,743 5,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,784 1,785 18,786 2,800 1,808 9.333,809 4.876,810 3.889,811 1.433,812 3.243,813 1.493,814 1.086,815 2.869,816 9.816,817 3.367,818 4.073,819 4.755,820 5.418,821 5.973,822 6.317,823 6.742,824 7.179,825 7.353,826 7.643,827 1,828 29,829 6.568,831 2.791,832 7.738,833 12.432,835 10.184,837 2.238,838 40.287,839 0.001,842 58.856,843 120.28,844 116.151,848 56.782,849 63.498,850 58.856,851 116.151,854 103.271,855 45.342,856 38.765,857 15.814,858 92.095,860 58.856,861 179.649,864 56.782,865 58.856,869 30.489,870 115.59,871 33.571,872 56.782,873 58.856,874 116.151,875 63.498,876 56.782,878 58.856,879 16.975,880 103.306,881 16.786,882 99.365,883 58.856,884 116.151,885 63.498,886 56.782,887 0.593,888 0.357,889 0.197,890 0.11,891 16,892 7,893 0.033,894 1,895 1,896 1.133,897 2.967,898 136.42,899 0.133,900 15,901 75.059,904 11.736,905 4.4,906 1.965,907 1.95,908 99.365,909 9.397,910 8.264,911 3.172,914 3.736,916 82.58,917 295.287,918 28,926 28.229,927 31.458,928 0.347,929 0.762,930 0.905,931 0.97,932 0.97,933 0.97,934 4.595,935 0.747,936 5.476,937 2.647,938 4.078,939 4.758,941 6.337,942 3.942,943 5.849,944 0.101,945 7.069,946 1.799,947 3.761,948 4.691,950 7.345,951 3.531,952 7.188,953 -0.302,954 8.764,955 0.221,956 5.714,957 7.101,959 10.484,960 5.497,961 8.567,962 -0.652,963 10.519,964 -0.687,965 6.217,966 7.879,968 12.336,969 5.937,970 9.98,971 -1,972 12.312,973 -1.772,974 7.666,975 9.756,977 15.003,978 7.387,979 11.416,980 -1,981 14.133,982 -2.384,983 8.536,984 10.93,986 17.19,987 8.218,988 12.871,989 -1.324,990 15.974,991 -2.901,992 9.798,993 12.592,995 19.699,996 9.468,997 3.24,998 -1.493,999 17.829,1000 -3.378,1001 10.831,1002 13.953,1004 22.023,1005 10.474,1006 2.811,1007 11.405,1008 19.696,1009 -3.9,1010 12.023,1011 15.527,1013 24.476,1014 11.649,1015 2.25,1016 9.218,1017 21.573,1018 4.622,1019 13.128,1020 16.974,1022 26.858,1023 12.731,1024 2,1025 6.616,1026 23.456,1027 3.902,1028 14.297,1029 18.514,1031 29.293,1032 13.881,1033 1.553,1034 5.584,1035 25.345,1036 3.082,1037 15.434,1038 20.002,1040 31.7,1041 14.997,1042 1.482,1043 4.218,1044 27.239,1045 2.676,1046 16.598,1047 21.529,1049 34.13,1050 16.14,1051 1,1052 3.667,1053 29.137,1054 2.323,1055 17.75,1056 23.036,1058 36.55,1059 17.271,1060 2513,1061 4667,1062 13.235,1063 21.972,1064 30.669,1065 30.885,1066 32.063,1067 30.524,1068 30.37,1069 42.665,1071 90.754,1072 27.895,1073 5.336,1074 5.294,1075 6.388,1076 5.284,1077 5.24,1078 7.622,1080 18.883,1081 5.153,1082 8.45,1083 1.533,1084 1.544,1085 1.603,1086 1.526,1087 1.518,1088 2.133,1090 4.538,1091 1.395,1092 4.142,1093 4.175,1094 10.695,1095 4.092,1096 5.238,1097 4.068,1098 3.787,1099 3.838,1100 4.1,1101 3.877,1102 5.143,1103 3.684,1104 3.395,1105 3.462,1106 3.691,1107 3.293,1108 4.767,1109 3.25,1110 3.094,1111 3.187,1112 3.3,1113 3.155,1114 4.538,1115 2.902,1116 3.016,1117 3.115,1118 2.968,1119 2.885,1120 4.242,1121 2.849,1122 2.665,1123 2.768,1124 2.753,1125 2.448,1126 3.907,1127 2.42,1128 2.497,1129 2.588,1130 2.559,1131 2.39,1132 3.522,1133 2.293,1134 2.253,1135 2.363,1136 2.318,1137 2.297,1138 3.394,1139 2.028,1140 0.233,1141 0.165,1142 0.343,1143 0.211,1144 0.162,1145 4.669,1146 0.231,1147 3.294,1149 6.859,1150 0.57,1151 4.213,1152 0.158,1153 3.24,1154 4.622,1156 11.405,1157 3.153,1158 1.949,1159 1.928,1160 2.019,1161 2.034,1162 1.165,1163 2.033,1164 1.761,1165 1.722,1166 1.787,1167 1.924,1168 0.879,1169 1.902,1170 1.4,1171 1.339,1172 1.541,1173 1.631,1174 0.534,1175 1.616,1176 1.025,1177 0.966,1178 1.23,1179 1.294,1180 0.281,1181 1.288,1182 0.935,1183 0.852,1184 1.22,1185 1.258,1186 0.08,1187 1.271,1188 0.9,1189 0.806,1190 1.141,1191 1.123,1193 1.142,1194 0.428,1195 0.339,1196 0.801,1197 0.717,1199 0.746,1200 0.294,1201 0.158,1202 0.605,1203 0.61,1205 0.625,1206 3.714,1208 5.056,1209 2.398,1210 6.603,1211 4.727,1212 8.244,1213 6.862,1214 9.934,1219 2.194,1220 11.572,1231 20.004,1232 46.757,1233 102.632,1234 121.851,1235 130.606,1236 130.606,1237 130.606,1238 19.835,1239 6.574,1240 93.61,1241 93.61,1242 17,1243 12.304,1244 4.087,1245 3.17,1246 25.554,1247 44,1248 38,1249 0.298,1250 134.763,1251 208.18,1252 320.581,1253 5182,1254 3.6,1255 12.698,1256 0.705,1257 0.637,1258 14.198,1259 11.471,1260 8.665,1261 0.433,1262 0.319,1263 5.304,1264 7.736,1265 5.139,1266 4.251,1267 9.531,1268 6.384,1269 8.036,1270 0.277,1271 0.174,1272 9.149,1273 5.059,1274 6.931,1275 0.173,1276 0.089,1277 8.006,1278 3.555,1279 5.859,1280 0.109,1281 0.046,1282 6.684,1283 2.494,1284 4.806,1285 0.072,1286 0.026,1287 5.94,1288 1.729,1289 0.439,1290 67.45,1291 0.275,1292 17.495,1293 0.909,1294 98,1295 267.896,1296 254.625,1297 312.446,1298 425.49,1299 290,1300 118,1301 297.253,1302 186.438,1303 319.672,1304 469.83,1305 301,1306 6.959} {0 CHEMBL1802841,1 1.696,2 7.947,3 1.166,4 1.359,5 69.345,6 8.103,7 0.286,8 3.615,9 3.717,10 3.256,11 3.066,12 4.785,13 3.102,14 4.137,15 4.296,16 3.624,17 3.426,18 5.32,19 3.456,20 4.175,21 4.328,22 3.577,23 3.473,24 5.427,25 3.471,26 4.247,27 4.44,28 3.346,29 3.412,30 5.403,31 3.37,32 4.11,33 4.319,34 3.194,35 3.29,36 5.214,37 3.219,38 4.059,39 4.291,40 3.134,41 3.113,42 5.19,43 3.075,44 3.795,45 3.973,46 3.106,47 2.962,48 5.03,49 2.951,50 3.793,51 4.009,52 2.899,53 2.862,54 4.923,55 2.798,56 0.092,57 0.485,58 5.738,59 2.618,60 5.8,61 3.13,62 0.471,63 0.74,64 12.489,65 4.186,66 21.318,67 5.087,68 0.27,69 0.771,70 12.025,71 4.716,72 21.98,73 5.94,74 0.459,75 0.772,76 14.664,77 4.488,78 40.275,79 5.705,80 0.263,81 0.661,82 12.887,83 4.718,84 23.335,85 6.338,86 0.389,87 0.579,88 13.843,89 4.051,90 40.546,91 5.555,92 0.331,93 0.481,94 9.074,95 3.011,96 24.169,97 4.028,98 0.324,99 0.446,100 9.776,101 3.222,102 23.169,103 4.543,104 11,105 30,106 0.319,107 0.688,108 0.785,109 0.86,110 0.872,111 0.872,112 3.011,113 0.835,114 -2.99,115 -2.99,116 -2.88,119 40.6,123 2,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 4,161 3,162 3,164 2,168 4,171 1,172 7,178 2,182 7,185 1,187 1,194 6,199 1,205 1,206 2,211 2,216 3,222 1,228 2,232 1,245 1,255 382,256 12.886,257 12.886,258 12.886,259 12.886,260 12.886,261 11.705,262 17.004,263 7.381,264 13.25,265 10.267,266 10.267,267 10.267,268 10.267,269 10.267,270 8.209,271 18.877,272 3.399,273 10.807,274 3.304,275 1.336,276 0.821,277 0.422,278 0.36,279 0.36,280 3.685,284 1,285 327,286 2.345,288 92.317,289 45.778,291 73.368,295 1.119,296 20.197,299 1,300 1,301 1,302 0.8,304 1,305 0.83,306 42.5,307 151,308 4.449,309 3.812,310 6.61,311 4.092,312 3.14,313 3.987,314 1.399,315 10.38,316 2.996,317 4.272,318 3.305,319 6.194,320 3.882,321 2.931,322 3.771,323 1.392,324 9.256,325 2.782,326 3.682,327 2.859,328 5.548,329 3.314,330 2.348,331 2.979,332 1.005,333 7.213,334 2.256,335 3.348,336 2.477,337 5.165,338 2.937,339 1.969,340 2.508,341 0.532,342 6.019,343 1.888,344 2.972,345 2.008,346 4.67,347 2.519,348 1.578,349 2.029,350 0.27,351 4.557,352 1.479,353 2.885,354 1.982,355 4.362,356 2.476,357 1.534,358 1.984,359 0.204,360 4.196,361 1.436,362 2.202,363 1.676,364 3.455,365 2.092,366 1.099,367 1.181,369 2.452,370 1.091,371 1.9,372 1.42,373 3.176,374 1.543,375 0.575,376 0.667,378 1.243,379 0.548,380 1.699,381 0.821,382 3,383 1.421,384 0.487,385 0.568,386 0.946,387 0.451,388 1.563,389 0.714,390 2.849,391 1.082,392 0.12,393 0.163,394 0.26,395 0.115,396 0.887,397 -0.041,398 2.367,399 0.594,400 -0.381,401 -0.437,402 -0.874,403 -0.366,404 0.571,405 -0.459,406 2.187,407 0.136,408 -0.825,409 -1.074,411 -2.163,412 -0.785,413 0.39,414 -0.582,415 1.943,416 0.042,417 -0.938,418 -1.196,420 -2.512,421 -0.919,422 0.114,423 -0.605,424 1.633,425 -0.17,426 -1.192,427 -1.484,429 -3.058,430 -1.207,431 -0.246,432 -0.967,433 1.509,434 -0.495,435 -1.428,436 -1.548,438 -3.744,439 -1.321,440 8.7,441 0.458,442 0.486,443 0.026,444 25,445 1.316,446 11.5,447 0.605,448 13.5,449 0.711,450 11.937,451 0.628,452 20.7,453 0.647,454 17.198,455 0.905,456 5.327,457 0.28,458 3.859,459 0.203,460 0.153,462 0.391,466 0.858,467 1.543,468 0.689,469 1.229,470 0.642,471 0.963,472 0.991,473 0.656,474 0.765,475 0.632,476 0.692,477 0.629,478 0.896,479 1.318,480 0.89,481 1.213,482 0.856,483 1.078,484 1.279,485 0.916,486 1.333,487 0.959,488 1.486,489 1.102,490 0.825,491 1.188,492 1.016,493 1.226,494 0.978,495 1.184,496 1.101,497 0.878,498 0.896,499 0.799,500 1.713,501 0.8,502 0.731,503 1.144,504 0.905,505 1.119,506 0.934,507 1.066,508 0.55,509 1.079,510 0.926,511 1.213,512 0.665,513 1.175,514 4,515 0.02,516 2.444,517 1.896,518 0.818,519 0.469,520 0.319,521 0.24,522 0.183,523 0.065,524 3289,525 10051,526 2.081,527 40.6,529 10,530 2,532 1,536 1.601,537 1.932,538 3.014,539 -0.198,541 1,543 1,545 54.279,546 1.696,547 3.664,548 4.179,549 4.578,550 4.64,551 4.64,552 2.439,553 4.037,554 4.224,555 3.117,556 533.088,557 7.183,558 5193.13,559 1,560 1,563 160,564 1.462,565 4.171,566 0.19,567 0.01,568 0.081,569 0.068,570 0.039,571 0.026,572 0.019,573 0.015,574 0.015,575 0.011,576 0.475,577 0.67,578 1,579 0.868,580 81.99,581 -0.089,582 -0.36,583 0.065,584 -0.193,585 -0.093,586 -0.052,587 0.074,588 0.443,589 0.145,590 0.32,591 0.024,592 0.264,593 -0.046,594 -0.251,595 -0.033,596 -0.204,597 0.087,598 -0.132,599 -0.289,600 0.127,601 -0.397,602 -0.031,603 -0.261,604 -0.192,605 -0.061,606 -0.236,607 -0.08,608 -0.216,609 -0.011,610 -0.165,611 -0.076,612 0.01,613 0.151,614 0.154,615 -0.157,616 0.199,617 0.276,618 -0.136,619 0.04,620 -0.163,621 0.118,622 -0.13,623 0.366,624 -0.154,625 0.07,626 -0.248,627 0.176,628 -0.18,629 1.804,630 4.96,631 0.737,632 12.017,633 1.022,634 1.131,635 1.757,636 3.086,637 0.662,638 3.091,639 3.434,640 3.738,641 3.97,642 4.06,643 4.078,644 4.159,645 4.277,646 4.263,647 4.331,648 4.854,649 0.651,650 259.29,651 3.091,652 4.635,653 5.501,654 6.385,655 7.265,656 8.151,657 9.033,658 9.92,659 10.804,660 11.69,661 9.4,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 32,700 9,701 1,702 21,704 34,705 13,706 6,707 3,708 3,709 4,710 3,711 4,714 1,721 10,722 3,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 13,737 6,738 1,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,767 1,770 2,773 1,777 2,781 2,785 19,789 1,790 1,791 2,794 1,801 9.4,804 1,806 2,808 9.833,809 6.483,810 4.194,811 1.74,812 2.181,813 1.331,814 0.979,815 3.007,816 8.771,817 3.332,818 3.902,819 4.48,820 4.976,821 5.444,822 5.695,823 6.068,824 6.46,825 6.709,826 6.902,827 1,828 28,829 6.987,831 2.959,832 7.868,833 13.071,835 10.407,837 2.368,838 45,839 0.001,842 141.253,843 84.381,844 37.921,846 47.145,849 84.381,850 188.398,851 37.921,852 16.793,853 9.775,854 55.916,855 32.606,856 52.458,857 25.441,858 117.711,860 141.253,861 122.301,862 47.145,865 141.253,866 47.145,869 44.571,870 65.498,871 12.233,873 141.253,874 85.065,875 84.381,878 141.253,879 29.683,880 57.822,881 18.011,882 63.93,883 141.253,884 85.065,885 84.381,887 0.587,888 0.364,889 0.191,890 0.09,891 16,892 7,893 0.059,894 2,895 1,896 1.143,897 3.157,898 141.22,899 0.143,900 14,901 80.711,904 12.203,905 4.681,906 2.112,908 85.065,909 5.511,914 2.254,916 18.011,917 310.699,918 27,922 11.96,923 1.727,924 4.228,925 0.796,926 32.705,927 36.199,928 0.339,929 0.733,930 0.836,931 0.916,932 0.928,933 0.928,934 4.59,935 0.575,936 5.501,937 2.452,938 4.111,939 4.585,940 2.409,941 6.333,942 4.017,943 5.8,944 0.487,945 7.081,946 1.243,947 3.761,948 4.425,949 0.81,950 7.252,951 3.617,952 7.119,953 0.12,954 8.757,955 0.946,956 5.733,957 6.734,958 2.778,959 10.347,960 5.545,961 8.475,962 -0.381,963 10.488,964 0.26,965 6.217,966 7.366,967 1.554,968 12.071,969 5.969,970 9.863,971 -0.825,972 12.253,973 -0.874,974 7.656,975 9.162,976 3.292,977 14.672,978 7.373,979 11.271,980 -0.938,981 14.041,982 -2.163,983 8.503,984 10.151,985 2.257,986 16.731,987 8.158,988 12.694,989 -1.192,990 15.846,991 -2.512,992 9.744,993 11.733,994 3.873,995 19.157,996 9.363,997 3.14,998 -1.428,999 17.663,1000 -3.058,1001 10.749,1002 12.898,1003 2.951,1004 21.36,1005 10.309,1006 2.931,1007 10.38,1008 19.49,1009 -3.744,1010 11.914,1011 14.378,1012 4.489,1013 23.721,1014 11.435,1015 2.348,1016 9.256,1017 21.325,1018 3.987,1019 12.987,1020 15.635,1021 3.641,1022 25.989,1023 12.453,1024 1.969,1025 7.213,1026 23.167,1027 3.771,1028 14.126,1029 17.062,1030 5.126,1031 28.325,1032 13.549,1033 1.578,1034 6.019,1035 25.014,1036 2.979,1037 15.228,1038 18.369,1039 4.328,1040 30.623,1041 14.599,1042 1.534,1043 4.557,1044 26.866,1045 2.508,1046 16.358,1047 19.769,1048 5.774,1049 32.951,1050 15.685,1051 1.099,1052 4.196,1053 28.722,1054 2.029,1055 17.474,1056 21.102,1057 5.012,1058 35.264,1059 16.751,1060 3214,1061 5721,1062 13.929,1063 21.188,1064 32.229,1065 33.443,1066 32.931,1067 31.575,1068 31.563,1069 39.672,1070 9.603,1071 93.04,1072 30.084,1073 5.29,1074 5.812,1075 6.133,1076 5.135,1077 5.14,1078 6.987,1079 2.791,1080 17.393,1081 4.996,1082 8.962,1083 1.535,1084 1.593,1085 1.568,1086 1.504,1087 1.503,1088 1.889,1089 0.457,1090 4.43,1091 1.433,1092 3.997,1093 4.017,1094 3.96,1095 3.897,1096 7.428,1097 3.907,1098 3.814,1099 3.852,1100 3.78,1101 3.602,1102 5.013,1103 3.642,1104 3.377,1105 3.441,1106 3.269,1107 3.145,1108 4.757,1109 3.167,1110 3.274,1111 3.349,1112 3.107,1113 2.996,1114 4.366,1115 3.007,1116 3.092,1117 3.171,1118 2.901,1119 2.874,1120 4.062,1121 2.87,1122 2.852,1123 2.909,1124 2.707,1125 2.695,1126 3.972,1127 2.687,1128 2.67,1129 2.744,1130 2.58,1131 2.473,1132 3.855,1133 2.458,1134 2.652,1135 2.684,1136 2.456,1137 2.353,1138 3.512,1139 2.4,1140 0.212,1141 0.182,1142 0.315,1143 0.195,1144 0.15,1145 4.449,1146 0.19,1147 3.812,1148 0.067,1149 6.61,1150 0.494,1151 4.092,1152 0.143,1153 3.14,1154 3.987,1155 1.399,1156 10.38,1157 2.996,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.971,1164 1.503,1165 1.44,1166 1.736,1167 1.806,1168 0.773,1169 1.786,1170 1.455,1171 1.41,1172 1.632,1173 1.654,1174 0.668,1175 1.639,1176 1.198,1177 1.128,1178 1.48,1179 1.52,1180 0.582,1181 1.494,1182 1.152,1183 1.085,1184 1.43,1185 1.453,1186 0.543,1187 1.463,1188 0.794,1189 0.749,1190 1.082,1191 1.053,1192 0.154,1193 1.053,1194 0.742,1195 0.702,1196 0.999,1197 0.989,1198 0.019,1199 1.021,1200 0.725,1201 0.64,1202 0.857,1203 0.954,1205 0.926,1206 3.761,1208 5.094,1209 3.045,1210 6.613,1211 5.416,1212 8.214,1213 7.496,1214 9.856,1216 3.407,1222 0.235,1223 2.871,1224 10.539,1227 1.471,1231 20.843,1232 54.279,1233 117.245,1234 133.735,1235 146.49,1236 148.49,1237 148.49,1238 24.173,1239 6.59,1240 65.38,1241 65.38,1242 16,1243 12.222,1244 3.322,1245 2.807,1246 27.881,1247 56,1248 49,1249 0.253,1250 128.098,1251 229.01,1252 304.319,1253 5480,1255 13.405,1256 0.706,1257 0.56,1258 13.405,1259 10.636,1260 9.186,1261 0.437,1262 0.278,1263 5.696,1264 8.633,1265 5.524,1266 4.611,1267 9.186,1268 5.847,1269 8.248,1270 0.275,1271 0.14,1272 8.248,1273 4.192,1274 7.481,1275 0.182,1276 0.073,1277 7.481,1278 2.991,1279 5.968,1280 0.115,1281 0.038,1282 5.968,1283 1.983,1284 4.286,1285 0.075,1286 0.02,1287 4.286,1288 1.15,1289 0.389,1290 59.097,1291 0.268,1292 18.872,1293 0.715,1294 102,1295 356.83,1296 117.544,1297 331.867,1298 454.13,1299 312,1300 122,1301 335.94,1302 138.489,1303 337.122,1304 497.9,1305 314,1306 5.678} {0 CHEMBL1802842,1 1.66,2 8.6,3 1.515,4 2.294,5 74.093,6 7.809,7 0.273,8 3.69,9 3.797,10 3.3,11 3.145,12 4.824,13 3.168,14 4.224,15 4.39,16 3.663,17 3.502,18 5.371,19 3.516,20 4.301,21 4.486,22 3.614,23 3.546,24 5.485,25 3.53,26 4.324,27 4.524,28 3.428,29 3.487,30 5.448,31 3.44,32 4.215,33 4.429,34 3.322,35 3.405,36 5.289,37 3.347,38 4.2,39 4.416,40 3.262,41 3.315,42 5.329,43 3.253,44 4.08,45 4.301,46 3.177,47 3.142,48 5.245,49 3.092,50 3.912,51 4.138,52 3.009,53 3.011,54 4.988,55 2.938,56 0.074,57 0.523,58 6.745,59 2.94,60 5.721,61 3.682,62 0.454,63 0.804,64 14.152,65 4.742,66 21.937,67 6.079,68 0.296,69 0.853,70 15.22,71 5.231,72 26.55,73 7.086,74 0.428,75 0.835,76 16.451,77 4.975,78 40.053,79 6.73,80 0.288,81 0.754,82 14.669,83 4.803,84 26.113,85 6.66,86 0.333,87 0.691,88 15.03,89 4.93,90 34.823,91 6.762,92 0.435,93 0.591,94 13.814,95 4.161,96 40.921,97 5.848,98 0.327,99 0.507,100 11.343,101 3.744,102 24.574,103 5.371,104 12,105 31,106 0.306,107 0.682,108 0.828,109 0.864,110 0.874,111 0.874,112 3.058,113 0.874,114 -3.25,115 -3.24,116 -3.11,119 40,120 1,123 1,124 1,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 4,161 3,162 3,164 2,166 1,168 4,171 1,172 7,178 2,182 9,185 1,187 1,194 6,199 1,205 1,206 3,211 2,213 1,216 3,222 1,224 1,228 2,232 1,237 2,245 1,250 1,255 454,256 13.593,257 13.593,258 13.593,259 13.593,260 13.593,261 12.412,262 18.585,263 7.99,264 13.976,265 10.805,266 10.805,267 10.805,268 10.805,269 10.805,270 8.77,271 21.377,272 3.703,273 11.372,274 3.469,275 1.428,276 0.636,277 0.443,278 0.386,279 0.386,280 3.735,283 1,284 1,285 371,286 2.55,288 99.674,289 49.568,291 79.391,295 1.3,296 20.996,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 44.5,307 172,308 4.451,309 3.813,310 6.612,311 4.094,312 3.142,313 3.987,314 1.399,315 10.396,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.686,327 2.872,328 5.555,329 3.318,330 2.353,331 2.981,332 1.005,333 7.244,334 2.259,335 3.36,336 2.478,337 5.171,338 2.965,339 1.998,340 2.521,341 0.532,342 6.084,343 1.916,344 2.972,345 2.008,346 4.681,347 2.538,348 1.599,349 2.029,350 0.27,351 4.611,352 1.495,353 2.885,354 1.983,355 4.362,356 2.476,357 1.534,358 1.985,359 0.204,360 4.197,361 1.437,362 2.202,363 1.677,364 3.457,365 2.093,366 1.099,367 1.181,369 2.452,370 1.091,371 2.189,372 1.589,373 3.308,374 2.011,375 1.052,376 1.14,378 1.876,379 1.002,380 1.871,381 1.083,382 3.119,383 1.456,384 0.506,385 0.614,386 1.224,387 0.475,388 1.641,389 0.785,390 2.939,391 1.225,392 0.232,393 0.305,394 0.518,395 0.228,396 1.018,397 0.068,398 2.37,399 0.782,400 -0.179,401 -0.203,402 -0.392,403 -0.17,404 0.725,405 -0.216,406 2.307,407 0.377,408 -0.601,409 -0.725,411 -1.247,412 -0.583,413 0.508,414 -0.574,415 2.114,416 0.103,417 -0.877,418 -1.124,420 -2.338,421 -0.846,422 0.33,423 -0.586,424 1.721,425 -0.031,426 -1,427 -1.208,429 -2.512,430 -0.966,432 -0.68,433 1.534,434 -0.195,435 -1.204,436 -1.527,438 -3.065,439 -1.212,440 9.2,441 0.46,442 0.486,443 0.024,444 25.5,445 1.275,446 11.5,447 0.575,448 14,449 0.7,450 13.646,451 0.682,452 22,453 0.629,454 17.546,455 0.877,456 5.29,457 0.264,458 4.396,459 0.22,460 0.145,462 0.37,466 0.847,467 1.543,468 0.72,469 1.244,470 0.643,471 0.994,472 0.952,473 0.794,474 0.785,475 0.754,476 0.666,477 0.73,478 0.911,479 1.185,480 0.872,481 1.066,482 0.842,483 0.968,484 1.23,485 1.018,486 1.224,487 0.982,488 1.435,489 1.066,490 0.963,491 1.048,492 1.056,493 1.037,494 1.042,495 1.046,496 1.006,497 1.096,498 1.006,499 1.094,500 1.543,501 1.064,502 0.886,503 0.949,504 0.912,505 0.936,506 1.487,507 0.936,508 0.516,509 1.001,510 0.843,511 1.102,512 0.604,513 1.058,514 4,515 0.032,516 2.444,517 1.896,518 0.898,519 0.605,520 0.319,521 0.24,522 0.183,523 0.075,524 3806,525 10954,526 2.077,527 42.9,529 9,530 2,532 1,534 3,536 1.617,537 1.935,538 3.11,539 -0.222,541 1,543 1,545 58.109,546 1.66,547 3.701,548 4.493,549 4.686,550 4.743,551 4.743,552 2.528,553 3.922,554 4.294,555 3.221,556 611.922,557 7.33,558 6208.43,559 1,560 1,562 1,563 179.525,564 1.441,565 4.248,566 0.182,567 0.008,568 0.079,569 0.065,570 0.039,571 0.029,572 0.017,573 0.014,574 0.013,575 0.009,576 0.455,577 0.67,578 1,579 1.059,580 88.405,581 -0.072,582 -0.339,583 0.067,584 -0.179,585 -0.082,586 -0.048,587 0.112,588 0.308,589 0.14,590 0.214,591 0.055,592 0.186,593 -0.043,594 -0.124,595 0.038,596 -0.078,597 0.09,598 -0.009,599 -0.23,600 0.026,601 -0.277,602 -0.042,603 -0.204,604 -0.143,605 -0.15,606 -0.021,607 -0.125,608 -0.065,609 -0.071,610 -0.074,611 -0.051,612 -0.155,613 -0.03,614 -0.113,615 -0.095,616 -0.078,617 0.19,618 -0.026,619 0.104,620 0.014,621 -0.019,622 0.031,623 0.368,624 -0.066,625 0.14,626 -0.125,627 0.21,628 -0.058,629 1.793,630 5.076,631 0.7,632 14.07,633 1.017,634 1.132,635 2.02,636 4.082,637 0.656,638 3.135,639 3.466,640 3.761,641 4.007,642 4.111,643 4.143,644 4.234,645 4.331,646 4.317,647 4.394,648 5.131,649 0.639,650 273.32,651 3.135,652 4.673,653 5.533,654 6.415,655 7.292,656 8.178,657 9.06,658 9.947,659 10.831,660 11.718,661 8.6,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 35,700 9,701 1,702 22,704 37,705 14,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 1,721 10,722 4,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 6,738 1,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,767 1,770 2,773 1,777 2,781 2,785 20,789 2,790 1,791 2,794 1,801 8.6,804 1,806 2,808 10.333,809 6.983,810 4.444,811 2.115,812 2.179,813 1.326,814 0.973,815 3.464,816 8.866,817 3.367,818 3.922,819 4.491,820 4.996,821 5.461,822 5.725,823 6.098,824 6.485,825 6.738,826 6.946,827 0.833,828 29,829 7.371,831 3.107,832 7.825,833 13.887,835 11.054,837 2.325,838 46.5,839 0.001,842 164.795,843 86.915,844 37.921,846 47.145,849 86.915,850 211.94,851 37.921,852 17.222,853 11.88,854 55.916,855 32.606,856 52.458,857 25.441,858 141.253,860 164.795,861 124.836,862 47.145,865 129.482,866 82.458,869 55.502,870 57.101,871 12.233,873 164.795,874 85.065,875 86.915,878 164.795,879 31.789,880 58.251,881 18.011,882 63.93,883 164.795,884 85.065,885 86.915,887 0.58,888 0.352,889 0.191,890 0.095,891 16,892 7,893 0.081,894 3,895 1,896 1.143,897 3.265,898 150.324,899 0.143,900 14,901 86.439,904 13.153,905 5.268,906 2.453,908 85.065,909 5.532,914 2.264,916 18.011,917 336.776,918 28,922 12.076,923 1.741,924 4.3,925 0.852,926 35.589,927 39.614,928 0.324,929 0.722,930 0.876,931 0.914,932 0.925,933 0.925,934 4.62,935 1.052,936 5.525,937 2.452,938 4.143,939 4.605,940 2.409,941 6.351,942 4.049,943 5.821,944 0.506,945 7.098,946 1.876,947 3.761,948 4.425,949 0.81,950 7.252,951 3.617,952 7.134,953 0.232,954 8.769,955 1.224,956 5.753,957 6.741,958 2.778,959 10.358,960 5.563,961 8.486,962 -0.179,963 10.497,964 0.518,965 6.217,966 7.366,967 1.554,968 12.077,969 5.969,970 9.87,971 -0.601,972 12.26,973 -0.392,974 7.668,975 9.166,976 3.292,977 14.683,978 7.383,979 11.276,980 -0.877,981 14.046,982 -1.247,983 8.506,984 10.152,985 2.257,986 16.74,987 8.16,988 12.699,989 -1,990 15.85,991 -2.338,992 9.752,993 11.735,994 3.873,995 19.169,996 9.369,997 3.142,998 -1.204,999 17.667,1000 -2.512,1001 10.753,1002 12.9,1003 2.951,1004 21.372,1005 10.312,1006 2.932,1007 10.396,1008 19.494,1009 -3.065,1010 11.922,1011 14.38,1012 4.489,1013 23.734,1014 11.44,1015 2.353,1016 9.256,1017 21.329,1018 3.987,1019 12.993,1020 15.636,1021 3.641,1022 26.003,1023 12.456,1024 1.998,1025 7.244,1026 23.171,1027 3.772,1028 14.133,1029 17.064,1030 5.126,1031 28.341,1032 13.553,1033 1.599,1034 6.084,1035 25.018,1036 2.981,1037 15.235,1038 18.37,1039 4.328,1040 30.64,1041 14.603,1042 1.534,1043 4.611,1044 26.87,1045 2.521,1046 16.366,1047 19.771,1048 5.774,1049 32.97,1050 15.689,1051 1.099,1052 4.197,1053 28.726,1054 2.029,1055 17.482,1056 21.104,1057 5.012,1058 35.284,1059 16.756,1060 3727,1061 6444,1062 14.622,1063 22.949,1064 33.602,1065 34.875,1066 34.431,1067 32.937,1068 32.895,1069 41.027,1070 9.603,1071 95.715,1072 31.367,1073 5.328,1074 5.813,1075 6.375,1076 5.137,1077 5.142,1078 6.987,1079 2.791,1080 17.428,1081 4.997,1082 9.353,1083 1.527,1084 1.585,1085 1.565,1086 1.497,1087 1.495,1088 1.865,1089 0.436,1090 4.351,1091 1.426,1092 3.998,1093 4.019,1094 3.961,1095 3.897,1096 7.428,1097 3.907,1098 3.819,1099 3.859,1100 3.783,1101 3.609,1102 5.013,1103 3.648,1104 3.497,1105 3.576,1106 3.335,1107 3.3,1108 4.75,1109 3.294,1110 3.327,1111 3.368,1112 3.207,1113 3.087,1114 4.363,1115 3.11,1116 3.092,1117 3.174,1118 2.905,1119 2.876,1120 4.11,1121 2.874,1122 2.892,1123 2.984,1124 2.745,1125 2.703,1126 3.981,1127 2.693,1128 2.83,1129 2.879,1130 2.707,1131 2.583,1132 3.855,1133 2.601,1134 2.655,1135 2.701,1136 2.492,1137 2.431,1138 3.612,1139 2.444,1140 0.202,1141 0.173,1142 0.301,1143 0.186,1144 0.143,1145 4.451,1146 0.181,1147 3.813,1148 0.064,1149 6.612,1150 0.473,1151 4.094,1152 0.136,1153 3.142,1154 3.987,1155 1.399,1156 10.396,1157 2.997,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.972,1164 1.581,1165 1.496,1166 1.85,1167 1.848,1168 0.997,1169 1.846,1170 1.463,1171 1.438,1172 1.669,1173 1.683,1174 0.735,1175 1.678,1176 1.328,1177 1.246,1178 1.499,1179 1.547,1180 0.585,1181 1.537,1182 1.156,1183 1.123,1184 1.433,1185 1.512,1186 0.557,1187 1.48,1188 0.872,1189 0.784,1190 1.2,1191 1.182,1192 0.245,1193 1.203,1194 0.794,1195 0.738,1196 1.081,1197 0.991,1198 0.153,1199 1.021,1200 0.729,1201 0.695,1202 0.874,1203 0.977,1205 0.944,1206 3.807,1208 5.13,1209 3.045,1210 6.64,1211 5.416,1212 8.235,1213 7.496,1214 9.874,1216 3.657,1222 0.952,1223 3.052,1224 10.571,1227 1.502,1231 22.369,1232 58.109,1233 129.551,1234 157.26,1235 164.015,1236 166.015,1237 166.015,1238 26.621,1239 6.687,1240 65.38,1241 65.38,1242 16,1243 12.25,1244 3.322,1245 2.807,1246 30.025,1247 62,1248 62,1249 0.245,1250 137.69,1251 246.31,1252 327.724,1253 6241,1255 14.113,1256 0.706,1257 0.567,1258 14.113,1259 11.343,1260 9.686,1261 0.44,1262 0.291,1263 6.261,1264 9.138,1265 6.088,1266 5.082,1267 9.686,1268 6.407,1269 8.629,1270 0.278,1271 0.144,1272 8.629,1273 4.472,1274 7.616,1275 0.181,1276 0.074,1277 7.616,1278 3.103,1279 6.181,1280 0.114,1281 0.038,1282 6.181,1283 2.076,1284 4.541,1285 0.076,1286 0.021,1287 4.541,1288 1.276,1289 0.378,1290 61.993,1291 0.262,1292 19.856,1293 0.686,1294 106,1295 360.83,1296 121.877,1297 335.833,1298 460.77,1299 316,1300 126,1301 342.222,1302 142.656,1303 342.401,1304 506.64,1305 320,1306 6.237} {0 CHEMBL1802843,1 1.627,2 9.238,3 2.038,4 4.155,5 78.617,6 7.562,7 0.261,8 3.759,9 3.87,10 3.342,11 3.218,12 4.865,13 3.231,14 4.303,15 4.477,16 3.697,17 3.579,18 5.411,19 3.577,20 4.408,21 4.609,22 3.654,23 3.626,24 5.54,25 3.591,26 4.433,27 4.656,28 3.47,29 3.559,30 5.506,31 3.501,32 4.294,33 4.514,34 3.405,35 3.48,36 5.34,37 3.418,38 4.296,39 4.516,40 3.382,41 3.428,42 5.396,43 3.377,44 4.219,45 4.424,46 3.3,47 3.339,48 5.377,49 3.267,50 4.17,51 4.423,52 3.087,53 3.183,54 5.211,55 3.082,56 0.059,57 0.562,58 7.728,59 3.265,60 5.349,61 4.228,62 0.443,63 0.866,64 15.816,65 5.315,66 22.429,67 7.04,68 0.279,69 0.934,70 17.731,71 5.972,72 28.537,73 8.425,74 0.453,75 0.915,76 19.3,77 5.449,78 42.837,79 7.822,80 0.257,81 0.818,82 16.226,83 5.279,84 25.968,85 7.564,86 0.361,87 0.784,88 16.75,89 5.008,90 35.705,91 7.094,92 0.391,93 0.704,94 15.248,95 5.07,96 36.926,97 7.091,98 0.422,99 0.615,100 15.717,101 4.855,102 39.911,103 7.078,104 13,105 32,106 0.295,107 0.665,108 0.834,109 0.867,110 0.876,111 0.876,112 3.103,113 0.901,114 -3.51,115 -3.48,116 -3.33,119 39.5,120 1,121 1,123 1,124 1,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 5,161 3,162 3,164 2,166 1,168 4,171 1,172 7,176 1,178 2,182 9,185 1,187 1,194 8,199 1,205 1,206 3,211 2,213 1,216 3,217 1,222 1,224 2,228 2,232 1,237 3,245 1,250 3,255 554,256 14.301,257 14.301,258 14.301,259 14.301,260 14.301,261 13.119,262 18.585,263 8.515,264 14.647,265 11.305,266 11.305,267 11.305,268 11.305,269 11.305,270 9.27,271 21.377,272 3.999,273 11.859,274 3.621,275 1.573,276 0.639,277 0.461,278 0.408,279 0.408,280 3.781,283 1,284 1,285 417,286 2.739,288 107.28,289 53.499,291 85.605,295 1.51,296 21.622,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 46.5,307 194,308 4.451,309 3.813,310 6.612,311 4.094,312 3.142,313 3.987,314 1.399,315 10.397,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.686,327 2.874,328 5.555,329 3.319,330 2.355,331 2.981,332 1.005,333 7.247,334 2.26,335 3.363,336 2.478,337 5.172,338 2.979,339 2.011,340 2.524,341 0.532,342 6.093,343 1.931,344 2.972,345 2.009,346 4.683,347 2.563,348 1.622,349 2.029,350 0.27,351 4.625,352 1.522,353 2.885,354 1.983,355 4.362,356 2.477,357 1.534,358 1.985,359 0.204,360 4.197,361 1.437,362 2.473,363 1.716,364 3.509,365 2.325,366 1.347,367 1.45,369 2.608,370 1.31,371 2.202,372 1.671,373 3.451,374 2.092,375 1.098,376 1.181,378 2.451,379 1.09,380 1.883,381 1.212,382 3.145,383 1.478,384 0.514,385 0.623,386 1.233,387 0.488,388 1.654,389 0.792,390 2.956,391 1.367,392 0.401,393 0.453,394 0.773,395 0.384,396 1.398,397 0.481,398 2.643,399 1.069,400 0.105,401 0.136,402 0.223,403 0.101,404 0.894,405 -0.039,406 2.366,407 0.635,408 -0.342,409 -0.383,411 -0.785,412 -0.329,413 0.59,414 -0.414,415 2.181,416 0.197,417 -0.769,418 -0.974,420 -1.793,421 -0.738,422 0.419,423 -0.582,424 1.949,425 0.078,426 -0.911,427 -1.175,429 -2.504,430 -0.895,431 0.213,432 -0.598,433 1.643,434 -0.122,435 -1.129,436 -1.255,438 -2.537,439 -1.1,440 9.7,441 0.462,442 0.486,443 0.023,444 26,445 1.238,446 11.5,447 0.548,448 14.5,449 0.69,450 15.233,451 0.725,452 23.3,453 0.613,454 17.987,455 0.857,456 5.268,457 0.251,458 4.918,459 0.234,460 0.137,462 0.351,466 0.84,467 1.542,468 0.75,469 1.258,470 0.637,471 1.022,472 0.931,473 0.841,474 0.814,475 0.815,476 0.658,477 0.79,478 0.855,479 1.222,480 0.85,481 1.088,482 0.792,483 0.981,484 1.233,485 0.931,486 1.175,487 0.881,488 1.396,489 0.973,490 0.916,491 1.141,492 0.976,493 1.053,494 0.998,495 1.019,496 1.138,497 0.97,498 1.048,499 0.931,500 1.593,501 0.951,502 0.808,503 1.159,504 1.022,505 1.207,506 1.334,507 1.174,508 0.715,509 0.861,510 0.867,511 0.944,512 1.205,513 0.945,514 4,515 0.041,516 2.444,517 1.896,518 0.898,519 0.66,520 0.416,521 0.24,522 0.183,523 0.075,524 4411,525 12005,526 2.074,527 44.7,528 3,529 9,530 2,532 1,534 2,536 1.63,537 1.938,538 3.196,539 -0.244,540 1,541 1,543 1,545 61.821,546 1.627,547 3.675,548 4.609,549 4.787,550 4.84,551 4.84,552 2.725,553 4.297,554 4.361,555 3.326,556 698.511,557 7.467,558 7400.04,559 1,560 1,562 1,563 199.421,564 1.418,565 4.322,566 0.174,567 0.007,568 0.076,569 0.063,570 0.037,571 0.029,572 0.019,573 0.013,574 0.012,575 0.008,576 0.438,577 0.5,578 1,579 1.238,580 95.053,581 -0.057,582 -0.32,583 0.068,584 -0.167,585 -0.065,586 -0.045,587 0.131,588 0.266,589 0.125,590 0.169,591 0.067,592 0.145,593 -0.002,594 -0.175,595 0.079,596 -0.093,597 0.125,598 -0.004,599 -0.215,600 0.109,601 -0.199,602 0.04,603 -0.184,604 -0.048,605 -0.104,606 -0.113,607 -0.038,608 -0.073,609 -0.031,610 -0.041,611 -0.128,612 0.041,613 -0.071,614 0.015,615 -0.143,616 -0.005,617 0.193,618 -0.185,619 -0.058,620 -0.221,621 0.033,622 -0.201,623 0.261,624 0.016,625 0.151,626 0.014,627 0.056,628 0.05,629 1.786,630 5.164,631 0.667,632 16.15,633 1.012,634 1.132,635 2.276,636 5.182,637 0.65,638 3.178,639 3.497,640 3.784,641 4.025,642 4.143,643 4.19,644 4.29,645 4.394,646 4.369,647 4.443,648 5.453,649 0.629,650 287.35,651 3.178,652 4.71,653 5.565,654 6.441,655 7.315,656 8.198,657 9.079,658 9.964,659 10.847,660 11.734,661 7.9,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 38,700 9,701 1,702 23,704 40,705 15,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 1,719 1,721 10,722 5,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 17,737 6,738 1,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,767 1,770 2,773 1,777 2,781 2,785 21,789 3,790 1,791 2,794 1,801 7.9,804 1,806 2,808 10.833,809 7.483,810 4.694,811 2.365,812 2.176,813 1.321,814 0.968,815 3.948,816 8.953,817 3.401,818 3.942,819 4.503,820 5.003,821 5.474,822 5.738,823 6.118,824 6.504,825 6.757,826 6.969,827 1,828 30,829 7.753,831 3.254,832 7.786,833 14.704,835 11.72,837 2.286,838 48,842 188.338,843 89.45,844 37.921,846 47.145,849 89.45,850 235.482,851 37.921,852 17.222,853 14.415,854 55.916,855 32.606,856 52.458,857 25.441,858 164.795,860 188.338,861 127.371,862 47.145,865 164.795,866 70.687,869 58.036,870 57.101,871 12.233,873 188.338,874 85.065,875 89.45,878 188.338,879 34.323,880 58.251,881 18.011,882 63.93,883 188.338,884 85.065,885 89.45,887 0.576,888 0.344,889 0.183,890 0.094,891 16,892 7,893 0.1,894 4,895 1,896 1.143,897 3.381,898 159.103,899 0.143,900 14,901 92.239,904 14.108,905 5.876,906 2.798,908 85.065,909 5.55,914 2.272,916 18.011,917 362.853,918 29,922 12.164,923 1.751,924 4.347,925 0.884,926 38.473,927 43.03,928 0.31,929 0.7,930 0.878,931 0.912,932 0.922,933 0.922,934 4.649,935 1.098,936 5.549,937 2.608,938 4.174,939 4.625,940 2.409,941 6.365,942 4.083,943 5.841,944 0.514,945 7.114,946 2.451,947 3.761,948 4.425,949 0.81,950 7.252,951 3.617,952 7.149,953 0.401,954 8.78,955 1.233,956 5.771,957 6.748,958 2.778,959 10.362,960 5.584,961 8.497,962 0.105,963 10.504,964 0.773,965 6.217,966 7.366,967 1.554,968 12.077,969 5.969,970 9.878,971 -0.342,972 12.264,973 0.223,974 7.677,975 9.168,976 3.292,977 14.684,978 7.393,979 11.281,980 -0.769,981 14.049,982 -0.785,983 8.506,984 10.152,985 2.257,986 16.74,987 8.16,988 12.702,989 -0.911,990 15.852,991 -1.793,992 9.757,993 11.736,994 3.873,995 19.169,996 9.374,997 3.142,998 -1.129,999 17.668,1000 -2.504,1001 10.754,1002 12.9,1003 2.951,1004 21.372,1005 10.312,1006 2.932,1007 10.397,1008 19.495,1009 -2.537,1010 11.924,1011 14.38,1012 4.489,1013 23.735,1014 11.442,1015 2.355,1016 9.256,1017 21.33,1018 3.987,1019 12.994,1020 15.636,1021 3.641,1022 26.003,1023 12.457,1024 2.011,1025 7.247,1026 23.172,1027 3.772,1028 14.135,1029 17.064,1030 5.126,1031 28.342,1032 13.555,1033 1.622,1034 6.093,1035 25.019,1036 2.981,1037 15.236,1038 18.37,1039 4.328,1040 30.64,1041 14.604,1042 1.534,1043 4.625,1044 26.871,1045 2.524,1046 16.367,1047 19.771,1048 5.774,1049 32.971,1050 15.69,1051 1.347,1052 4.197,1053 28.727,1054 2.029,1055 17.484,1056 21.104,1057 5.012,1058 35.285,1059 16.756,1060 4324,1061 7279,1062 15.315,1063 24.71,1064 34.739,1065 35.922,1066 35.628,1067 34.153,1068 34.124,1069 42.24,1070 9.603,1071 98.205,1072 32.608,1073 5.357,1074 5.813,1075 6.473,1076 5.137,1077 5.142,1078 6.987,1079 2.791,1080 17.431,1081 4.997,1082 9.739,1083 1.51,1084 1.562,1085 1.549,1086 1.485,1087 1.484,1088 1.837,1089 0.418,1090 4.27,1091 1.418,1092 3.999,1093 4.021,1094 3.961,1095 3.897,1096 7.428,1097 3.907,1098 3.823,1099 3.864,1100 3.785,1101 3.616,1102 5.013,1103 3.652,1104 3.591,1105 3.663,1106 3.422,1107 3.426,1108 4.749,1109 3.414,1110 3.337,1111 3.374,1112 3.231,1113 3.102,1114 4.362,1115 3.128,1116 3.092,1117 3.191,1118 2.922,1119 2.878,1120 4.144,1121 2.879,1122 3.065,1123 3.15,1124 2.874,1125 2.788,1126 3.985,1127 2.788,1128 2.849,1129 2.903,1130 2.707,1131 2.688,1132 3.855,1133 2.683,1134 2.657,1135 2.729,1136 2.526,1137 2.461,1138 3.749,1139 2.45,1140 0.194,1141 0.166,1142 0.287,1143 0.178,1144 0.137,1145 4.451,1146 0.173,1147 3.813,1148 0.061,1149 6.612,1150 0.452,1151 4.094,1152 0.13,1153 3.142,1154 3.987,1155 1.399,1156 10.397,1157 2.997,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.16,1163 1.972,1164 1.654,1165 1.576,1166 1.926,1167 1.883,1168 1.098,1169 1.895,1170 1.466,1171 1.439,1172 1.68,1173 1.709,1174 0.745,1175 1.703,1176 1.385,1177 1.311,1178 1.519,1179 1.589,1180 0.591,1181 1.57,1182 1.157,1183 1.124,1184 1.437,1185 1.516,1186 0.57,1187 1.482,1188 1.023,1189 0.914,1190 1.395,1191 1.319,1192 0.506,1193 1.353,1194 0.794,1195 0.746,1196 1.082,1197 1.028,1198 0.154,1199 1.036,1200 0.73,1201 0.699,1202 1.018,1203 0.989,1204 0.08,1205 1.021,1206 3.85,1208 5.165,1209 3.045,1210 6.666,1211 5.416,1212 8.253,1213 7.496,1214 9.888,1216 3.776,1222 1.996,1223 3.138,1224 10.598,1227 1.522,1231 23.896,1232 61.821,1233 139.647,1234 175.157,1235 181.911,1236 183.911,1237 183.911,1238 29.506,1239 6.777,1240 65.38,1241 65.38,1242 16,1243 12.266,1244 3.322,1245 2.807,1246 32.258,1247 68,1248 76,1249 0.236,1250 147.283,1251 263.61,1252 351.13,1253 7076,1255 14.82,1256 0.706,1257 0.574,1258 14.82,1259 12.05,1260 10.186,1261 0.443,1262 0.3,1263 6.761,1264 9.646,1265 6.575,1266 5.51,1267 10.186,1268 6.907,1269 8.982,1270 0.281,1271 0.152,1272 8.982,1273 4.869,1274 7.885,1275 0.183,1276 0.077,1277 7.885,1278 3.301,1279 6.277,1280 0.114,1281 0.039,1282 6.277,1283 2.155,1284 4.691,1285 0.076,1286 0.022,1287 4.691,1288 1.341,1289 0.366,1290 64.993,1291 0.256,1292 20.862,1293 0.653,1294 110,1295 364.83,1296 125.877,1297 340.079,1298 466.57,1299 320,1300 130,1301 346.222,1302 146.822,1303 346.742,1304 512.84,1305 324,1306 6.268} {0 CHEMBL1802844,1 1.627,2 8.714,3 1.892,4 3.58,5 78.511,6 7.562,7 0.261,8 3.759,9 3.87,10 3.342,11 3.218,12 4.873,13 3.231,14 4.304,15 4.476,16 3.722,17 3.584,18 5.423,19 3.587,20 4.416,21 4.607,22 3.661,23 3.652,24 5.57,25 3.617,26 4.49,27 4.726,28 3.505,29 3.593,30 5.535,31 3.525,32 4.309,33 4.528,34 3.435,35 3.509,36 5.378,37 3.46,38 4.324,39 4.526,40 3.375,41 3.483,42 5.454,43 3.404,44 4.302,45 4.548,46 3.243,47 3.295,48 5.428,49 3.216,50 4.018,51 4.252,52 3.108,53 3.141,54 5.06,55 3.061,56 0.059,57 0.562,58 7.728,59 3.265,60 6.001,61 4.228,62 0.439,63 0.871,64 15.817,65 5.295,66 23.53,67 7.039,68 0.295,69 0.959,70 17.555,71 5.844,72 28.959,73 8.172,74 0.442,75 0.949,76 20.786,77 6.102,78 44.549,79 8.886,80 0.316,81 0.847,82 16.478,83 4.899,84 29.741,85 7.045,86 0.277,87 0.804,88 16.531,89 5.84,90 31,91 8.034,92 0.523,93 0.699,94 18.178,95 5.257,96 56.124,97 7.569,98 0.328,99 0.567,100 12.812,101 4.267,102 25.688,103 6.183,104 19,105 33,106 0.295,107 0.656,108 0.793,109 0.825,110 0.834,111 0.834,112 3.103,113 0.886,114 -3.51,115 -3.48,116 -3.33,119 39.5,120 2,123 1,125 1,126 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 4,161 3,162 3,164 2,166 2,168 5,171 1,172 7,178 2,182 11,185 1,187 1,194 6,199 1,205 1,206 4,211 2,213 2,216 3,222 1,224 2,228 2,232 1,237 4,245 1,250 2,255 539,256 13.878,257 13.878,258 13.878,259 13.878,260 13.878,261 12.696,262 20.167,263 8.038,264 14.234,265 11.34,266 11.34,267 11.34,268 11.34,269 11.34,270 9.315,271 26.377,272 3.83,273 11.901,274 3.621,275 1.626,276 0.869,277 0.691,278 0.639,279 0.639,280 3.778,283 1,284 1,285 392,286 2.915,288 107.032,289 53.357,291 85.413,295 1.347,296 21.558,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 46.5,307 183,308 4.453,309 3.815,310 6.616,311 4.099,312 3.148,313 3.987,314 1.399,315 10.421,316 3,317 4.273,318 3.305,319 6.194,320 3.884,321 2.932,322 3.773,323 1.392,324 9.257,325 2.783,326 3.701,327 2.918,328 5.58,329 3.355,330 2.395,331 2.988,332 1.005,333 7.326,334 2.289,335 3.421,336 2.479,337 5.201,338 3.166,339 2.194,340 2.576,341 0.532,342 6.283,343 2.122,344 2.993,345 2.191,346 4.776,347 2.75,348 1.79,349 2.034,350 0.27,351 4.983,352 1.711,353 2.941,354 2.004,355 4.39,356 2.479,357 1.534,358 2.006,359 0.204,360 4.214,361 1.442,362 2.885,363 1.981,364 4.357,365 2.458,366 1.506,367 1.93,369 4.123,370 1.422,371 2.202,372 1.675,373 3.455,374 2.092,375 1.098,376 1.181,378 2.452,379 1.09,380 1.882,381 1.251,382 3.158,383 1.463,384 0.509,385 0.618,386 1.233,387 0.479,388 1.649,389 0.79,390 2.968,391 1.271,392 0.28,393 0.355,394 0.66,395 0.273,396 1.123,397 0.189,398 2.713,399 0.842,400 -0.107,401 -0.126,402 -0.299,403 -0.101,404 0.778,405 -0.147,406 2.366,407 0.413,408 -0.564,409 -0.688,411 -1.484,412 -0.545,413 0.522,414 -0.567,415 2.182,416 0.104,417 -0.875,418 -1,420 -2,421 -0.842,422 0.339,423 -0.585,424 1.949,426 -1,427 -1.127,429 -2.508,430 -0.964,432 -0.659,433 1.645,434 -0.032,435 -1,436 -1.209,438 -2.584,439 -1,440 9.7,441 0.462,442 0.63,443 0.03,444 26,445 1.238,446 11.5,447 0.548,448 14.5,449 0.69,450 15.829,451 0.754,452 23.3,453 0.613,454 18.156,455 0.865,456 5.259,457 0.25,458 4.782,459 0.228,460 0.189,462 0.402,466 0.84,467 1.542,468 0.75,469 1.258,470 0.666,471 1.022,472 0.916,473 0.861,474 0.758,475 0.789,476 0.632,477 0.746,478 0.942,479 1.215,480 0.986,481 1.124,482 0.862,483 1.058,484 1.062,485 0.992,486 1.018,487 0.896,488 1.243,489 0.931,490 1.095,491 0.926,492 1.094,493 0.881,494 1.094,495 0.936,496 0.934,497 1.27,498 1.092,499 1.314,500 1.413,501 1.257,502 1.006,503 0.837,504 0.919,505 0.831,506 1.874,507 0.862,508 0.489,509 0.939,510 0.781,511 1.018,512 0.563,513 0.971,514 5,515 0.071,516 2.444,517 2.021,518 0.978,519 0.796,520 0.319,521 0.302,522 0.208,523 0.105,524 4327,525 11861,526 2.045,527 44.7,529 8,530 2,532 1,534 6,536 1.631,537 1.881,538 3.137,539 -0.244,540 1,541 1,543 1,545 61.821,546 1.627,547 3.622,548 4.379,549 4.557,550 4.609,551 4.609,552 2.529,553 4.202,554 4.365,555 3.277,556 688.116,557 7.473,558 7270.75,559 1,560 1,562 1,563 199.421,564 1.51,565 4.305,566 0.217,567 0.012,568 0.074,569 0.067,570 0.039,571 0.033,572 0.015,573 0.017,574 0.013,575 0.011,576 0.498,577 0.67,578 1,579 1.083,580 94.71,581 -0.057,582 -0.32,583 0.068,584 -0.167,585 -0.092,586 -0.045,587 0.147,588 0.245,589 0.182,590 0.195,591 0.096,592 0.191,593 -0.07,594 -0.124,595 -0.07,596 -0.138,597 0.048,598 -0.103,599 -0.116,600 -0.005,601 -0.036,602 0.045,603 -0.095,604 0.027,605 -0.223,606 0.163,607 -0.152,608 0.06,609 -0.111,610 0.002,611 -0.033,612 -0.282,613 -0.156,614 -0.303,615 -0.047,616 -0.268,617 0.132,618 0.038,619 0.122,620 0.105,621 -0.106,622 0.107,623 0.367,624 0.006,625 0.191,626 -0.031,627 0.23,628 0.032,629 1.796,630 5.182,631 0.667,632 15.333,633 1.012,634 1.132,635 2.276,636 5.182,637 0.65,638 3.178,639 3.526,640 3.784,641 4.043,642 4.159,643 4.205,644 4.304,645 4.382,646 4.369,647 4.454,648 5.337,649 0.629,650 287.35,651 3.178,652 4.727,653 5.58,654 6.466,655 7.338,656 8.227,657 9.105,658 9.994,659 10.876,660 11.766,661 7.9,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 38,700 9,701 1,702 23,704 40,705 15,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 2,719 1,721 10,722 5,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 17,737 6,738 1,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,767 1,770 2,773 1,777 2,781 3,785 21,789 1,790 1,791 2,793 1,794 1,801 7.9,804 1,806 2,808 11.167,809 7.817,810 4.528,811 2.24,812 2.176,813 1.321,814 0.957,815 3.698,816 8.953,817 3.401,818 3.961,819 4.503,820 5.016,821 5.478,822 5.754,823 6.126,824 6.509,825 6.766,826 6.989,827 0.833,828 30,829 7.749,831 3.269,832 7.802,833 14.644,835 11.732,837 2.302,838 48.333,842 188.338,843 93.635,844 37.921,846 47.145,849 93.635,850 235.482,851 37.921,852 26.047,853 9.775,854 55.916,855 32.606,856 52.458,857 25.441,858 164.795,860 188.338,861 131.556,862 47.145,865 117.711,866 117.771,869 62.221,870 57.101,871 12.233,873 188.338,874 85.065,875 93.635,878 188.338,879 29.683,880 67.076,881 18.011,882 63.93,883 188.338,884 85.065,885 93.635,887 0.591,888 0.338,889 0.181,890 0.093,891 17,892 8,893 0.075,894 3,895 1,896 1.143,897 3.33,898 160.855,899 0.143,900 14,901 90.239,904 14.108,905 5.505,906 2.798,908 85.065,909 5.54,914 2.26,916 18.011,917 367.038,918 29,922 12.182,923 1.746,924 4.35,925 0.845,926 38.473,927 43.03,928 0.31,929 0.69,930 0.834,931 0.868,932 0.878,933 0.878,934 4.668,935 1.098,936 5.587,937 4.123,938 4.205,939 4.644,940 2.409,941 6.409,942 4.113,943 5.876,944 0.509,945 7.159,946 2.452,947 3.892,948 4.494,949 0.81,950 7.302,951 3.753,952 7.188,953 0.28,954 8.826,955 1.233,956 5.814,957 6.764,958 2.778,959 10.397,960 5.626,961 8.535,962 -0.107,963 10.547,964 0.66,965 6.293,966 7.391,967 1.554,968 12.1,969 6.049,970 9.913,971 -0.564,972 12.303,973 -0.299,974 7.719,975 9.178,976 3.292,977 14.709,978 7.433,979 11.312,980 -0.875,981 14.083,982 -1.484,983 8.555,984 10.163,985 2.257,986 16.758,987 8.21,988 12.729,989 -1,990 15.882,991 -2,992 9.792,993 11.742,994 3.873,995 19.191,996 9.407,997 3.148,998 -1,999 17.694,1000 -2.508,1001 10.79,1002 12.906,1003 2.951,1004 21.391,1005 10.346,1006 2.932,1007 10.421,1008 19.517,1009 -2.584,1010 11.954,1011 14.385,1012 4.489,1013 23.757,1014 11.468,1015 2.395,1016 9.257,1017 21.35,1018 3.987,1019 13.023,1020 15.641,1021 3.641,1022 26.025,1023 12.481,1024 2.194,1025 7.326,1026 23.189,1027 3.773,1028 14.162,1029 17.068,1030 5.126,1031 28.366,1032 13.575,1033 1.79,1034 6.283,1035 25.035,1036 2.988,1037 15.263,1038 18.374,1039 4.328,1040 30.666,1041 14.624,1042 1.534,1043 4.983,1044 26.886,1045 2.576,1046 16.394,1047 19.774,1048 5.774,1049 32.999,1050 15.708,1051 1.506,1052 4.214,1053 28.741,1054 2.034,1055 17.511,1056 21.108,1057 5.012,1058 35.315,1059 16.774,1060 4248,1061 7175,1062 15.027,1063 24.71,1064 35.58,1065 36.869,1066 36.001,1067 34.816,1068 34.772,1069 42.896,1070 9.603,1071 101.901,1072 33.224,1073 5.354,1074 5.815,1075 6.128,1076 5.142,1077 5.148,1078 6.987,1079 2.791,1080 17.489,1081 5,1082 11.187,1083 1.547,1084 1.603,1085 1.565,1086 1.514,1087 1.512,1088 1.865,1089 0.418,1090 4.43,1091 1.445,1092 4,1093 4.022,1094 3.962,1095 3.898,1096 7.428,1097 3.908,1098 3.828,1099 3.869,1100 3.788,1101 3.623,1102 5.013,1103 3.658,1104 3.594,1105 3.661,1106 3.443,1107 3.426,1108 4.753,1109 3.42,1110 3.332,1111 3.37,1112 3.227,1113 3.095,1114 4.372,1115 3.121,1116 3.092,1117 3.174,1118 2.907,1119 2.876,1120 4.197,1121 2.875,1122 2.894,1123 3.009,1124 2.772,1125 2.704,1126 3.984,1127 2.695,1128 2.874,1129 2.98,1130 2.707,1131 2.618,1132 3.855,1133 2.604,1134 2.828,1135 2.873,1136 2.499,1137 2.579,1138 3.628,1139 2.57,1140 0.194,1141 0.166,1142 0.288,1143 0.178,1144 0.137,1145 4.453,1146 0.173,1147 3.815,1148 0.061,1149 6.616,1150 0.453,1151 4.099,1152 0.13,1153 3.148,1154 3.987,1155 1.399,1156 10.421,1157 3,1158 1.891,1159 1.876,1160 1.976,1161 1.97,1162 1.103,1163 1.972,1164 1.665,1165 1.589,1166 1.922,1167 1.894,1168 1.096,1169 1.902,1170 1.465,1171 1.439,1172 1.673,1173 1.7,1174 0.738,1175 1.691,1176 1.357,1177 1.282,1178 1.5,1179 1.565,1180 0.585,1181 1.547,1182 1.156,1183 1.123,1184 1.433,1185 1.514,1186 0.557,1187 1.481,1188 0.934,1189 0.804,1190 1.417,1191 1.239,1192 0.469,1193 1.308,1194 0.866,1195 0.782,1196 1.146,1197 1.174,1198 0.167,1199 1.186,1200 0.794,1201 0.737,1202 1.08,1203 0.991,1204 0.151,1205 1.021,1206 3.85,1208 5.187,1209 3.045,1210 6.696,1211 5.416,1212 8.285,1213 7.496,1214 9.919,1216 5.706,1222 0.234,1223 3.149,1224 10.597,1226 0.212,1227 1.513,1231 23.896,1232 61.821,1233 137.647,1234 166.402,1235 173.157,1236 175.157,1237 175.157,1238 30.076,1239 6.777,1240 65.38,1241 65.38,1242 16,1243 12.296,1244 3.322,1245 2.807,1246 32.238,1247 67,1248 59,1249 0.24,1250 147.283,1251 263.61,1252 351.13,1253 7004,1255 14.983,1256 0.713,1257 0.582,1258 14.983,1259 12.213,1260 10.042,1261 0.437,1262 0.295,1263 6.646,1264 9.5,1265 6.397,1266 5.376,1267 10.042,1268 6.79,1269 9.469,1270 0.287,1271 0.159,1272 9.469,1273 5.241,1274 7.731,1275 0.18,1276 0.074,1277 7.731,1278 3.186,1279 6.346,1280 0.113,1281 0.038,1282 6.346,1283 2.147,1284 4.726,1285 0.075,1286 0.022,1287 4.726,1288 1.362,1289 0.372,1290 64.083,1291 0.258,1292 20.756,1293 0.67,1294 112,1295 366.83,1296 128.21,1297 342.964,1298 470.35,1299 322,1300 132,1301 350.503,1302 148.822,1303 351.981,1304 518.96,1305 328,1306 6.409} {0 CHEMBL1802845,1 1.596,2 9.909,3 2.495,4 6.223,5 83.218,6 7.351,7 0.25,8 3.824,9 3.939,10 3.382,11 3.286,12 4.905,13 3.289,14 4.377,15 4.556,16 3.73,17 3.651,18 5.451,19 3.635,20 4.504,21 4.718,22 3.689,23 3.705,24 5.585,25 3.654,26 4.528,27 4.761,28 3.516,29 3.637,30 5.56,31 3.564,32 4.407,33 4.647,34 3.448,35 3.553,36 5.404,37 3.48,38 4.37,39 4.594,40 3.461,41 3.501,42 5.442,43 3.446,44 4.313,45 4.524,46 3.416,47 3.449,48 5.441,49 3.39,50 4.297,51 4.533,52 3.22,53 3.373,54 5.347,55 3.259,56 0.045,57 0.6,58 8.688,59 3.592,60 4.839,61 4.767,62 0.433,63 0.929,64 17.44,65 5.887,66 22.621,67 7.981,68 0.269,69 1.012,70 20.119,71 6.722,72 30.027,73 9.705,74 0.434,75 0.994,76 21.567,77 6.16,78 43.366,79 9.114,80 0.28,81 0.898,82 18.84,83 5.738,84 28.761,85 8.558,86 0.331,87 0.847,88 18.209,89 5.467,90 34.44,91 7.957,92 0.431,93 0.796,94 17.043,95 5.164,96 38.092,97 7.451,98 0.377,99 0.728,100 17.131,101 5.768,102 36.305,103 8.297,104 14,105 33,106 0.284,107 0.641,108 0.823,109 0.869,110 0.878,111 0.878,112 3.146,113 0.926,114 -3.76,115 -3.72,116 -3.54,119 39,120 1,121 2,123 1,124 1,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 6,161 3,162 3,164 2,166 1,168 5,171 1,172 7,176 1,178 2,182 9,185 1,187 2,194 8,199 1,205 1,206 5,211 2,213 1,216 3,217 1,222 1,224 2,228 2,229 1,232 1,237 4,245 1,250 4,255 662,256 15.008,257 15.008,258 15.008,259 15.008,260 15.008,261 13.826,262 18.585,263 9.015,264 15.354,265 11.805,266 11.805,267 11.805,268 11.805,269 11.805,270 9.77,271 21.377,272 4.253,273 12.353,274 3.761,275 1.758,276 0.738,277 0.476,278 0.427,279 0.427,280 3.826,283 1,284 1,285 468,286 2.915,288 115.088,289 57.554,291 91.988,295 1.736,296 22.098,297 1,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 48.5,307 218,308 4.451,309 3.813,310 6.612,311 4.094,312 3.142,313 3.987,314 1.399,315 10.397,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.686,327 2.874,328 5.555,329 3.319,330 2.355,331 2.981,332 1.005,333 7.247,334 2.26,335 3.364,336 2.478,337 5.172,338 2.987,339 2.019,340 2.525,341 0.532,342 6.094,343 1.94,344 2.972,345 2.009,346 4.684,347 2.621,348 1.662,349 2.029,350 0.27,351 4.629,352 1.596,353 2.885,354 1.983,355 4.362,356 2.479,357 1.534,358 1.985,359 0.204,360 4.197,361 1.446,362 2.638,363 1.788,364 3.646,365 2.464,366 1.497,367 1.626,369 3.064,370 1.431,371 2.202,372 1.674,373 3.454,374 2.092,375 1.099,376 1.181,378 2.452,379 1.091,380 1.909,381 1.312,382 3.165,383 1.721,384 0.752,385 0.798,386 1.367,387 0.724,388 1.799,389 0.872,390 3,391 1.451,392 0.504,393 0.608,394 1.208,395 0.473,396 1.631,397 0.773,398 2.886,399 1.211,400 0.219,401 0.286,402 0.488,403 0.215,404 1.016,405 0.06,406 2.368,407 0.81,408 -0.154,409 -0.172,411 -0.327,412 -0.147,413 0.761,414 -0.183,415 2.267,416 0.476,417 -0.506,418 -0.576,420 -1.066,421 -0.492,422 0.534,423 -0.541,424 2.105,425 0.127,426 -0.84,427 -1.067,429 -2.134,430 -0.802,431 0.364,432 -0.583,433 1.755,434 0.039,435 -0.941,436 -1.193,438 -2.511,439 -0.922,440 10.2,441 0.464,442 0.486,443 0.022,444 26.5,445 1.205,446 11.5,447 0.523,448 15,449 0.682,450 16.86,451 0.766,452 24.6,453 0.6,454 18.375,455 0.835,456 5.268,457 0.239,458 5.418,459 0.246,460 0.131,462 0.333,466 0.834,467 1.541,468 0.777,469 1.271,470 0.632,471 1.047,472 0.915,473 0.882,474 0.84,475 0.866,476 0.646,477 0.84,478 0.819,479 1.196,480 0.842,481 1.076,482 0.762,483 0.975,484 1.171,485 0.988,486 1.128,487 0.92,488 1.328,489 0.985,490 0.939,491 1.04,492 0.956,493 0.945,494 0.985,495 0.934,496 1.09,497 1.063,498 0.975,499 0.955,500 1.538,501 0.936,502 0.952,503 1.027,504 1.064,505 1.037,506 1.392,507 1.056,508 0.66,509 1.065,510 0.974,511 1.187,512 1.091,513 1.157,514 4,515 0.041,516 2.444,517 1.896,518 0.898,519 0.66,520 0.456,521 0.312,522 0.183,523 0.075,524 5108,525 13208,526 2.07,527 46.3,528 5,529 9,530 2,532 1,534 2,536 1.643,537 1.941,538 3.281,539 -0.265,540 1,541 1,543 1,545 65.439,546 1.596,547 3.6,548 4.619,549 4.882,550 4.93,551 4.93,552 2.799,553 4.369,554 4.426,555 3.43,556 792.337,557 7.596,558 8781.42,559 1,560 1,562 1,563 219.66,564 1.395,565 4.392,566 0.167,567 0.005,568 0.074,569 0.061,570 0.036,571 0.028,572 0.019,573 0.014,574 0.011,575 0.007,576 0.421,577 0.33,578 1,579 1.405,580 101.903,581 -0.045,582 -0.303,583 0.068,584 -0.157,585 -0.05,586 -0.042,587 0.146,588 0.23,589 0.11,590 0.132,591 0.081,592 0.112,593 0.02,594 -0.158,595 0.099,596 -0.075,597 0.14,598 0.013,599 -0.168,600 0.042,601 -0.147,602 0.009,603 -0.138,604 -0.048,605 -0.107,606 -0.015,607 0.003,608 0.011,609 -0.032,610 0.035,611 -0.082,612 -0.05,613 0.004,614 -0.001,615 -0.098,616 0.017,617 0.11,618 0.013,619 -0.089,620 -0.085,621 -0.019,622 -0.115,623 0.252,624 -0.134,625 -0.004,626 -0.196,627 0.091,628 -0.16,629 1.781,630 5.234,631 0.636,632 18.744,633 1.009,634 1.133,635 2.526,636 6.38,637 0.646,638 3.219,639 3.526,640 3.807,641 4.043,642 4.159,643 4.22,644 4.331,645 4.443,646 4.431,647 4.489,648 5.809,649 0.62,650 301.38,651 3.219,652 4.745,653 5.595,654 6.466,655 7.336,656 8.216,657 9.094,658 9.978,659 10.86,660 11.745,661 7.3,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 41,700 9,701 1,702 24,704 43,705 16,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 1,719 2,721 10,722 6,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 19,737 6,738 1,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,767 1,770 2,773 1,777 2,781 2,785 22,789 4,790 1,791 2,794 1,801 7.3,804 1,806 2,808 11.333,809 7.983,810 4.944,811 2.615,812 2.173,813 1.317,814 0.963,815 4.455,816 9.033,817 3.434,818 3.961,819 4.514,820 5.01,821 5.478,822 5.747,823 6.126,824 6.518,825 6.772,826 6.984,827 0.857,828 31,829 8.134,831 3.399,832 7.75,833 15.52,835 12.387,837 2.25,838 49.5,842 211.88,843 91.984,844 37.921,846 47.145,849 91.984,850 259.025,851 37.921,852 17.222,853 16.949,854 55.916,855 32.606,856 52.458,857 25.441,858 188.338,860 211.88,861 129.905,862 47.145,865 188.338,866 70.687,869 60.571,870 57.101,871 12.233,873 211.88,874 85.065,875 91.984,878 211.88,879 36.858,880 58.251,881 18.011,882 63.93,883 211.88,884 85.065,885 91.984,887 0.573,888 0.339,889 0.178,890 0.089,891 16,892 7,893 0.116,894 5,895 1,896 1.143,897 3.5,898 167.687,899 0.143,900 14,901 98.107,904 15.067,905 6.505,906 3.182,908 85.065,909 5.564,914 2.278,916 18.011,917 388.93,918 30,922 12.234,923 1.759,924 4.382,925 0.905,926 41.356,927 46.445,928 0.298,929 0.672,930 0.862,931 0.911,932 0.92,933 0.92,934 4.677,935 1.099,936 5.572,937 3.064,938 4.205,939 4.644,940 2.409,941 6.378,942 4.116,943 5.861,944 0.752,945 7.13,946 2.452,947 3.761,948 4.425,949 0.81,950 7.252,951 3.617,952 7.164,953 0.504,954 8.79,955 1.367,956 5.79,957 6.755,958 2.778,959 10.365,960 5.606,961 8.507,962 0.219,963 10.51,964 1.208,965 6.217,966 7.366,967 1.554,968 12.077,969 5.969,970 9.885,971 -0.154,972 12.268,973 0.488,974 7.687,975 9.17,976 3.292,977 14.685,978 7.405,979 11.286,980 -0.506,981 14.052,982 -0.327,983 8.506,984 10.152,985 2.257,986 16.74,987 8.16,988 12.705,989 -0.84,990 15.854,991 -1.066,992 9.761,993 11.737,994 3.873,995 19.17,996 9.379,997 3.142,998 -0.941,999 17.669,1000 -2.134,1001 10.754,1002 12.9,1003 2.951,1004 21.372,1005 10.312,1006 2.932,1007 10.397,1008 19.496,1009 -2.511,1010 11.926,1011 14.38,1012 4.489,1013 23.735,1014 11.445,1015 2.355,1016 9.256,1017 21.33,1018 3.987,1019 12.994,1020 15.636,1021 3.641,1022 26.003,1023 12.457,1024 2.019,1025 7.247,1026 23.172,1027 3.772,1028 14.136,1029 17.064,1030 5.126,1031 28.342,1032 13.556,1033 1.662,1034 6.094,1035 25.019,1036 2.981,1037 15.236,1038 18.37,1039 4.328,1040 30.64,1041 14.604,1042 1.534,1043 4.629,1044 26.871,1045 2.525,1046 16.368,1047 19.771,1048 5.774,1049 32.971,1050 15.691,1051 1.497,1052 4.197,1053 28.727,1054 2.029,1055 17.484,1056 21.104,1057 5.012,1058 35.285,1059 16.756,1060 5009,1061 8232,1062 16.008,1063 26.472,1064 36.119,1065 37.384,1066 36.961,1067 35.473,1068 35.429,1069 43.556,1070 9.603,1071 100.797,1072 33.907,1073 5.377,1074 5.813,1075 6.521,1076 5.137,1077 5.142,1078 6.987,1079 2.791,1080 17.431,1081 4.997,1082 10.121,1083 1.505,1084 1.558,1085 1.54,1086 1.478,1087 1.476,1088 1.815,1089 0.4,1090 4.2,1091 1.413,1092 4,1093 4.022,1094 3.962,1095 3.898,1096 7.428,1097 3.908,1098 3.826,1099 3.867,1100 3.786,1101 3.625,1102 5.013,1103 3.656,1104 3.652,1105 3.719,1106 3.486,1107 3.5,1108 4.749,1109 3.49,1110 3.346,1111 3.386,1112 3.243,1113 3.118,1114 4.362,1115 3.141,1116 3.22,1117 3.317,1118 3.032,1119 2.978,1120 4.168,1121 2.973,1122 3.092,1123 3.171,1124 2.901,1125 2.875,1126 3.989,1127 2.871,1128 2.859,1129 2.932,1130 2.707,1131 2.698,1132 3.859,1133 2.689,1134 2.788,1135 2.856,1136 2.649,1137 2.539,1138 3.854,1139 2.543,1140 0.185,1141 0.159,1142 0.276,1143 0.171,1144 0.131,1145 4.451,1146 0.166,1147 3.813,1148 0.058,1149 6.612,1150 0.433,1151 4.094,1152 0.125,1153 3.142,1154 3.987,1155 1.399,1156 10.397,1157 2.997,1158 1.891,1159 1.876,1160 1.978,1161 1.97,1162 1.256,1163 1.972,1164 1.705,1165 1.633,1166 1.97,1167 1.909,1168 1.098,1169 1.93,1170 1.47,1171 1.439,1172 1.694,1173 1.734,1174 0.787,1175 1.725,1176 1.424,1177 1.353,1178 1.596,1179 1.621,1180 0.714,1181 1.605,1182 1.184,1183 1.126,1184 1.483,1185 1.518,1186 0.584,1187 1.489,1188 1.152,1189 1.077,1190 1.431,1191 1.432,1192 0.554,1193 1.457,1194 0.829,1195 0.758,1196 1.165,1197 1.127,1198 0.269,1199 1.152,1200 0.794,1201 0.725,1202 1.081,1203 0.991,1204 0.153,1205 1.021,1206 3.892,1208 5.198,1209 3.045,1210 6.691,1211 5.416,1212 8.271,1213 7.496,1214 9.9,1216 3.846,1222 3.186,1223 3.19,1224 10.621,1227 1.536,1231 25.423,1232 65.439,1233 147.602,1234 189.395,1235 200.15,1236 202.15,1237 202.15,1238 32.336,1239 6.86,1240 65.38,1241 65.38,1242 16,1243 12.278,1244 3.322,1245 2.807,1246 34.58,1247 75,1248 90,1249 0.226,1250 156.875,1251 280.91,1252 374.535,1253 7986,1255 15.527,1256 0.706,1257 0.58,1258 15.527,1259 12.757,1260 10.686,1261 0.445,1262 0.309,1263 7.261,1264 10.146,1265 7.066,1266 5.927,1267 10.686,1268 7.407,1269 9.336,1270 0.283,1271 0.158,1272 9.336,1273 5.222,1274 8.135,1275 0.185,1276 0.081,1277 8.135,1278 3.581,1279 6.467,1280 0.115,1281 0.041,1282 6.467,1283 2.295,1284 4.759,1285 0.076,1286 0.022,1287 4.759,1288 1.397,1289 0.354,1290 67.993,1291 0.25,1292 21.879,1293 0.618,1294 114,1295 368.83,1296 129.877,1297 344.24,1298 472.33,1299 324,1300 134,1301 350.222,1302 150.822,1303 350.904,1304 518.62,1305 328,1306 6.301} {0 CHEMBL1802846,1 1.596,2 9.364,3 2.358,4 5.558,5 83.089,6 7.351,7 0.25,8 3.824,9 3.939,10 3.382,11 3.286,12 4.914,13 3.289,14 4.377,15 4.557,16 3.75,17 3.661,18 5.455,19 3.649,20 4.508,21 4.704,22 3.704,23 3.734,24 5.618,25 3.679,26 4.614,27 4.878,28 3.512,29 3.66,30 5.6,31 3.576,32 4.368,33 4.592,34 3.482,35 3.55,36 5.397,37 3.485,38 4.384,39 4.607,40 3.489,41 3.529,42 5.476,43 3.487,44 4.34,45 4.534,46 3.409,47 3.503,48 5.496,49 3.416,50 4.374,51 4.644,52 3.159,53 3.33,54 5.399,55 3.207,56 0.045,57 0.6,58 8.688,59 3.592,60 5.583,61 4.767,62 0.436,63 0.932,64 17.459,65 5.895,66 24.2,67 7.982,68 0.237,69 1.04,70 19.653,71 6.834,72 28.989,73 9.75,74 0.515,75 1.045,76 24.436,77 6.532,78 50.125,79 9.998,80 0.225,81 0.882,82 17.713,83 5.741,84 25.982,85 8.425,86 0.393,87 0.876,88 18.507,89 5.099,90 38.61,91 7.484,92 0.346,93 0.817,94 16.916,95 6.001,96 34.329,97 8.385,98 0.504,99 0.723,100 19.8,101 5.923,102 54.168,103 8.711,104 20,105 34,106 0.284,107 0.641,108 0.802,109 0.831,110 0.84,111 0.84,112 3.146,113 0.908,114 -3.76,115 -3.72,116 -3.54,119 39,120 2,122 1,123 1,124 1,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 6,161 3,162 3,164 2,166 1,168 5,171 1,172 7,176 2,178 2,182 9,185 1,187 1,194 10,199 1,205 1,206 3,211 2,213 1,216 3,217 2,222 1,224 3,228 2,232 1,237 4,245 1,250 5,255 646,256 14.585,257 14.585,258 14.585,259 14.585,260 14.585,261 13.403,262 18.585,263 8.494,264 14.923,265 11.823,266 11.823,267 11.823,268 11.823,269 11.823,270 9.788,271 21.377,272 4.051,273 12.363,274 3.761,275 1.758,276 0.854,277 0.689,278 0.641,279 0.641,280 3.822,283 1,284 1,285 440,286 3.082,288 114.886,289 57.43,291 91.82,295 1.579,296 22.291,297 1,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 48.5,307 206,308 4.451,309 3.813,310 6.612,311 4.095,312 3.143,313 3.987,314 1.399,315 10.398,316 2.998,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.689,327 2.882,328 5.558,329 3.336,330 2.371,331 2.982,332 1.005,333 7.254,334 2.279,335 3.39,336 2.478,337 5.176,338 3.2,339 2.214,340 2.541,341 0.532,342 6.13,343 2.18,344 3.136,345 2.219,346 4.731,347 2.888,348 1.916,349 2.147,350 0.27,351 5.111,352 1.849,353 2.97,354 2.007,355 4.57,356 2.513,357 1.569,358 2.028,359 0.204,360 4.524,361 1.474,362 2.885,363 1.982,364 4.362,365 2.476,366 1.534,367 1.982,369 4.196,370 1.436,371 2.202,372 1.675,373 3.456,374 2.092,375 1.099,376 1.181,378 2.452,379 1.091,380 1.902,381 1.386,382 3.208,383 1.601,384 0.637,385 0.707,386 1.436,387 0.607,388 1.729,389 0.834,390 3.07,391 1.438,392 0.498,393 0.592,394 1.207,395 0.464,396 1.603,397 0.745,398 2.922,399 1.138,400 0.161,401 0.217,402 0.394,403 0.156,404 0.919,405 -0.017,406 2.368,407 0.662,408 -0.311,409 -0.35,411 -0.813,412 -0.299,413 0.605,414 -0.384,415 2.271,416 0.206,417 -0.76,418 -0.973,420 -2,421 -0.729,422 0.43,423 -0.582,424 2.106,425 0.079,426 -0.91,427 -1,429 -2.083,430 -0.893,431 0.225,432 -0.597,433 1.758,435 -1,436 -1.177,438 -2.511,439 -1,440 10.2,441 0.464,442 0.63,443 0.029,444 26.5,445 1.205,446 11.5,447 0.523,448 15,449 0.682,450 17.4,451 0.791,452 24.6,453 0.6,454 18.572,455 0.844,456 5.258,457 0.239,458 5.284,459 0.24,460 0.18,462 0.382,466 0.834,467 1.541,468 0.777,469 1.271,470 0.657,471 1.047,472 0.911,473 0.834,474 0.796,475 0.807,476 0.638,477 0.78,478 0.82,479 1.375,480 0.947,481 1.257,482 0.782,483 1.145,484 1.129,485 0.781,486 1.034,487 0.728,488 1.237,489 0.818,490 0.875,491 1.223,492 0.91,493 1.067,494 0.958,495 0.999,496 1.268,497 0.86,498 1.086,499 0.795,500 1.631,501 0.859,502 0.749,503 1.325,504 1.108,505 1.41,506 1.216,507 1.35,508 0.866,509 0.776,510 0.884,511 0.848,512 1.636,513 0.876,514 5,515 0.065,516 2.667,517 1.896,518 0.978,519 0.716,520 0.553,521 0.24,522 0.233,523 0.095,524 5020,525 13060,526 2.043,527 46.3,528 6,529 9,530 2,532 1,534 1,536 1.643,537 1.886,538 3.221,539 -0.265,540 1,541 1,543 1,545 65.439,546 1.596,547 3.6,548 4.503,549 4.668,550 4.717,551 4.717,552 2.72,553 4.278,554 4.429,555 3.386,556 782.104,557 7.602,558 8643.13,559 1,560 1,562 1,563 219.66,564 1.495,565 4.376,566 0.208,567 0.008,568 0.078,569 0.061,570 0.039,571 0.029,572 0.022,573 0.011,574 0.015,575 0.008,576 0.48,577 0.33,578 1,579 1.258,580 101.581,581 -0.045,582 -0.303,583 0.068,584 -0.157,585 -0.073,586 -0.042,587 0.15,588 0.279,589 0.155,590 0.192,591 0.092,592 0.174,593 0.006,594 -0.307,595 -0.027,596 -0.239,597 0.107,598 -0.157,599 -0.15,600 0.204,601 -0.028,602 0.169,603 -0.114,604 0.117,605 -0.064,606 -0.192,607 0.033,608 -0.079,609 0.005,610 -0.014,611 -0.193,612 0.21,613 -0.099,614 0.122,615 -0.174,616 0.058,617 0.195,618 -0.308,619 -0.172,620 -0.39,621 0.073,622 -0.364,623 0.189,624 0.067,625 0.146,626 0.092,627 -0.044,628 0.105,629 1.788,630 5.246,631 0.636,632 17.884,633 1.009,634 1.133,635 2.526,636 6.38,637 0.646,638 3.219,639 3.555,640 3.807,641 4.043,642 4.174,643 4.234,644 4.344,645 4.454,646 4.419,647 4.489,648 5.695,649 0.62,650 301.38,651 3.219,652 4.762,653 5.609,654 6.488,655 7.356,656 8.238,657 9.114,658 9.999,659 10.88,660 11.766,661 7.3,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 41,700 9,701 1,702 24,704 43,705 16,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 2,721 10,722 6,723 1,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 19,737 6,738 1,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,767 1,770 2,773 1,777 2,781 3,785 22,789 2,790 1,791 2,793 1,794 1,801 7.3,804 1,806 2,808 11.667,809 8.317,810 4.778,811 2.449,812 2.173,813 1.317,814 0.954,815 4.182,816 9.033,817 3.434,818 3.98,819 4.514,820 5.01,821 5.487,822 5.751,823 6.137,824 6.524,825 6.775,826 6.992,827 1,828 31,829 8.129,831 3.412,832 7.765,833 15.46,835 12.408,837 2.265,838 49.833,842 211.88,843 95.741,844 37.921,846 47.145,849 95.741,850 259.025,851 37.921,852 26.047,853 11.88,854 55.916,855 32.606,856 52.458,857 25.441,858 188.338,860 211.88,861 133.661,862 47.145,865 200.109,866 58.916,869 64.327,870 57.101,871 12.233,873 211.88,874 85.065,875 95.741,878 211.88,879 31.789,880 67.076,881 18.011,882 63.93,883 211.88,884 85.065,885 95.741,887 0.588,888 0.334,889 0.171,890 0.089,891 17,892 8,893 0.093,894 4,895 1,896 1.143,897 3.45,898 169.309,899 0.143,900 14,901 96.107,904 15.067,905 6.107,906 3.182,908 85.065,909 5.556,914 2.268,916 18.011,917 392.686,918 30,922 12.246,923 1.755,924 4.382,925 0.877,926 41.356,927 46.445,928 0.298,929 0.672,930 0.841,931 0.871,932 0.88,933 0.88,934 4.696,935 1.099,936 5.609,937 4.196,938 4.234,939 4.663,940 2.409,941 6.418,942 4.148,943 5.895,944 0.637,945 7.174,946 2.452,947 3.892,948 4.494,949 0.81,950 7.302,951 3.766,952 7.202,953 0.498,954 8.835,955 1.436,956 5.832,957 6.771,958 2.778,959 10.388,960 5.655,961 8.545,962 0.161,963 10.552,964 1.207,965 6.293,966 7.391,967 1.554,968 12.092,969 6.064,970 9.919,971 -0.311,972 12.305,973 0.394,974 7.725,975 9.179,976 3.292,977 14.694,978 7.453,979 11.316,980 -0.76,981 14.082,982 -0.813,983 8.55,984 10.161,985 2.257,986 16.745,987 8.219,988 12.73,989 -0.91,990 15.878,991 -2,992 9.789,993 11.741,994 3.873,995 19.173,996 9.416,997 3.143,998 -1,999 17.689,1000 -2.083,1001 10.78,1002 12.903,1003 2.951,1004 21.374,1005 10.348,1006 2.932,1007 10.398,1008 19.511,1009 -2.511,1010 11.945,1011 14.382,1012 4.489,1013 23.737,1014 11.47,1015 2.371,1016 9.256,1017 21.342,1018 3.987,1019 13.01,1020 15.638,1021 3.641,1022 26.005,1023 12.479,1024 2.214,1025 7.254,1026 23.181,1027 3.772,1028 14.148,1029 17.065,1030 5.126,1031 28.343,1032 13.572,1033 1.916,1034 6.13,1035 25.026,1036 2.982,1037 15.247,1038 18.371,1039 4.328,1040 30.641,1041 14.618,1042 1.569,1043 5.111,1044 26.876,1045 2.541,1046 16.376,1047 19.771,1048 5.774,1049 32.972,1050 15.701,1051 1.534,1052 4.524,1053 28.731,1054 2.147,1055 17.491,1056 21.104,1057 5.012,1058 35.286,1059 16.765,1060 4929,1061 8122,1062 15.72,1063 26.472,1064 36.96,1065 38.272,1066 37.385,1067 36.146,1068 36.146,1069 44.27,1070 9.603,1071 104.716,1072 34.628,1073 5.374,1074 5.813,1075 6.124,1076 5.138,1077 5.143,1078 6.987,1079 2.791,1080 17.435,1081 4.998,1082 11.683,1083 1.54,1084 1.595,1085 1.558,1086 1.506,1087 1.506,1088 1.845,1089 0.4,1090 4.363,1091 1.443,1092 4,1093 4.023,1094 3.962,1095 3.898,1096 7.428,1097 3.908,1098 3.83,1099 3.872,1100 3.787,1101 3.635,1102 5.013,1103 3.662,1104 3.668,1105 3.729,1106 3.516,1107 3.517,1108 4.75,1109 3.512,1110 3.341,1111 3.376,1112 3.241,1113 3.107,1114 4.367,1115 3.134,1116 3.098,1117 3.211,1118 2.953,1119 2.879,1120 4.227,1121 2.883,1122 3.091,1123 3.159,1124 2.891,1125 2.813,1126 3.988,1127 2.817,1128 2.874,1129 3.009,1130 2.707,1131 2.689,1132 3.855,1133 2.684,1134 2.849,1135 2.902,1136 2.527,1137 2.618,1138 3.786,1139 2.57,1140 0.185,1141 0.159,1142 0.276,1143 0.171,1144 0.131,1145 4.451,1146 0.166,1147 3.813,1148 0.058,1149 6.612,1150 0.433,1151 4.095,1152 0.125,1153 3.143,1154 3.987,1155 1.399,1156 10.398,1157 2.998,1158 1.891,1159 1.876,1160 1.982,1161 1.971,1162 1.232,1163 1.972,1164 1.724,1165 1.656,1166 1.973,1167 1.921,1168 1.098,1169 1.94,1170 1.468,1171 1.439,1172 1.684,1173 1.727,1174 0.749,1175 1.715,1176 1.406,1177 1.335,1178 1.524,1179 1.604,1180 0.597,1181 1.58,1182 1.157,1183 1.124,1184 1.437,1185 1.517,1186 0.574,1187 1.483,1188 1.037,1189 0.931,1190 1.417,1191 1.331,1192 0.513,1193 1.36,1194 0.934,1195 0.804,1196 1.391,1197 1.239,1198 0.469,1199 1.308,1200 0.794,1201 0.746,1202 1.082,1203 1.013,1204 0.154,1205 1.021,1206 3.892,1208 5.22,1209 3.045,1210 6.72,1211 5.416,1212 8.3,1213 7.496,1214 9.927,1216 5.927,1222 1.006,1223 3.188,1224 10.62,1226 0.48,1227 1.529,1231 25.423,1232 65.439,1233 147.602,1234 184.64,1235 191.395,1236 193.395,1237 193.395,1238 33.137,1239 6.86,1240 65.38,1241 65.38,1242 16,1243 12.298,1244 3.322,1245 2.807,1246 34.555,1247 74,1248 72,1249 0.23,1250 156.875,1251 280.91,1252 374.535,1253 7913,1255 15.69,1256 0.713,1257 0.587,1258 15.69,1259 12.92,1260 10.542,1261 0.439,1262 0.303,1263 7.117,1264 10.006,1265 6.851,1266 5.775,1267 10.542,1268 7.263,1269 9.811,1270 0.289,1271 0.168,1272 9.811,1273 5.717,1274 8.071,1275 0.183,1276 0.078,1277 8.071,1278 3.436,1279 6.358,1280 0.114,1281 0.04,1282 6.358,1283 2.213,1284 4.808,1285 0.075,1286 0.022,1287 4.808,1288 1.392,1289 0.358,1290 67.129,1291 0.252,1292 21.778,1293 0.633,1294 116,1295 370.83,1296 131.877,1297 347.118,1298 475.31,1299 326,1300 136,1301 352.222,1302 152.989,1303 354.449,1304 522.58,1305 330,1306 6.77} {0 CHEMBL1802847,1 1.568,2 10.043,3 2.746,4 7.542,5 87.767,6 7.168,7 0.24,8 3.885,9 4.004,10 3.421,11 3.35,12 4.952,13 3.345,14 4.446,15 4.63,16 3.781,17 3.727,18 5.495,19 3.703,20 4.595,21 4.805,22 3.733,23 3.81,24 5.655,25 3.74,26 4.69,27 4.953,28 3.562,29 3.742,30 5.646,31 3.64,32 4.508,33 4.764,34 3.49,35 3.62,36 5.47,37 3.538,38 4.439,39 4.667,40 3.534,41 3.57,42 5.493,43 3.512,44 4.399,45 4.614,46 3.52,47 3.549,48 5.517,49 3.498,50 4.41,51 4.631,52 3.338,53 3.532,54 5.47,55 3.409,56 0.032,57 0.638,58 9.629,59 3.921,60 5.839,61 5.301,62 0.426,63 0.995,64 19.038,65 6.467,66 24.92,67 8.907,68 0.236,69 1.117,70 22.046,71 7.614,72 31.98,73 11.023,74 0.451,75 1.123,76 26.089,77 7.469,78 48.834,79 11.448,80 0.303,81 0.977,82 21.29,83 6.179,84 32.643,85 9.511,86 0.301,87 0.911,88 19.622,89 5.915,90 34.819,91 8.786,92 0.472,93 0.889,94 18.861,95 5.268,96 42.374,97 7.861,98 0.332,99 0.841,100 18.756,101 6.699,102 34.839,103 9.562,104 21,105 35,106 0.275,107 0.628,108 0.81,109 0.837,110 0.845,111 0.845,112 3.188,113 0.932,114 -4,115 -3.95,116 -3.74,119 38.6,120 2,121 1,122 1,123 1,124 1,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 7,161 3,162 3,164 2,166 1,168 7,171 1,172 7,176 1,178 2,182 9,185 1,187 3,194 8,199 1,205 1,206 7,211 2,213 1,216 3,217 1,222 1,224 2,228 2,229 2,232 1,237 5,245 1,250 5,255 760,256 15.292,257 15.292,258 15.292,259 15.292,260 15.292,261 14.111,262 18.585,263 8.98,264 15.639,265 12.323,266 12.323,267 12.323,268 12.323,269 12.323,270 10.288,271 21.377,272 4.28,273 12.869,274 3.892,275 1.881,276 0.841,277 0.688,278 0.642,279 0.642,280 3.865,283 1,284 1,285 493,286 3.24,288 122.896,289 61.609,291 98.37,295 1.788,296 22.788,297 1,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 50.5,307 231,308 4.451,309 3.813,310 6.612,311 4.095,312 3.142,313 3.987,314 1.399,315 10.397,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.687,327 2.876,328 5.556,329 3.326,330 2.361,331 2.981,332 1.005,333 7.248,334 2.271,335 3.374,336 2.478,337 5.173,338 3.221,339 2.227,340 2.529,341 0.532,342 6.099,343 2.21,344 3.198,345 2.23,346 4.703,347 2.943,348 1.972,349 2.205,350 0.27,351 5.166,352 1.897,353 2.972,354 2.008,355 4.63,356 2.532,357 1.592,358 2.029,359 0.204,360 4.602,361 1.491,362 2.885,363 1.982,364 4.362,365 2.476,366 1.534,367 1.984,369 4.197,370 1.437,371 2.202,372 1.676,373 3.458,374 2.093,375 1.099,376 1.181,378 2.452,379 1.091,380 2.162,381 1.541,382 3.377,383 2.01,384 1.045,385 1.119,386 2.263,387 1.002,388 1.872,389 1.077,390 3.134,391 1.458,392 0.507,393 0.615,394 1.229,395 0.477,396 1.643,397 0.786,398 2.948,399 1.25,400 0.256,401 0.326,402 0.599,403 0.251,404 1.096,405 0.143,406 2.542,407 0.869,408 -0.088,409 -0.101,411 -0.228,412 -0.084,413 0.805,414 -0.127,415 2.366,416 0.508,417 -0.472,418 -0.54,420 -1.158,421 -0.457,422 0.545,423 -0.521,424 2.176,425 0.129,426 -0.836,427 -1,429 -2,430 -0.798,431 0.371,432 -0.583,433 1.954,434 0.039,435 -0.94,436 -1.068,438 -2.286,439 -0.921,440 10.7,441 0.465,442 0.63,443 0.027,444 27,445 1.174,446 11.5,447 0.5,448 15.5,449 0.674,450 19.085,451 0.83,452 25.9,453 0.589,454 18.877,455 0.821,456 5.268,457 0.229,458 5.774,459 0.251,460 0.171,462 0.364,466 0.829,467 1.54,468 0.803,469 1.282,470 0.653,471 1.069,472 0.898,473 0.873,474 0.823,475 0.856,476 0.627,477 0.828,478 0.8,479 1.288,480 0.939,481 1.203,482 0.767,483 1.109,484 1.025,485 0.949,486 1.001,487 0.872,488 1.164,489 0.911,490 0.964,491 0.958,492 0.943,493 0.86,494 0.972,495 0.868,496 1.048,497 1.146,498 0.915,499 0.976,500 1.486,501 0.925,502 1.091,503 0.912,504 1.103,505 0.896,506 1.436,507 0.958,508 0.616,509 1.23,510 1.061,511 1.375,512 1.001,513 1.319,514 5,515 0.057,516 2.667,517 2.021,518 0.898,519 0.716,520 0.497,521 0.415,522 0.183,523 0.115,524 5809,525 14415,526 2.041,527 47.7,528 7,529 9,530 2,532 1,534 2,536 1.655,537 1.89,538 3.305,539 -0.284,540 1,541 1,543 1,545 68.98,546 1.568,547 3.579,548 4.618,549 4.772,550 4.817,551 4.817,552 2.794,553 3.969,554 4.491,555 3.49,556 883.001,557 7.724,558 10218.5,560 1,562 1,563 240.215,564 1.478,565 4.443,566 0.2,567 0.006,568 0.076,569 0.063,570 0.035,571 0.029,572 0.019,573 0.017,574 0.01,575 0.01,576 0.463,577 0.33,578 1,579 1.422,580 108.623,581 -0.035,582 -0.288,583 0.068,584 -0.148,585 -0.059,586 -0.039,587 0.162,588 0.245,589 0.138,590 0.157,591 0.105,592 0.141,593 0.015,594 -0.227,595 -0.007,596 -0.18,597 0.111,598 -0.11,599 -0.088,600 0.026,601 -0.01,602 0.053,603 -0.064,604 0.042,605 -0.111,606 0.065,607 0.031,608 0.075,609 -0.03,610 0.089,611 -0.04,612 -0.13,613 0.067,614 -0.014,615 -0.058,616 0.036,617 0.04,618 0.184,619 -0.11,620 0.03,621 -0.054,622 -0.041,623 0.245,624 -0.252,625 -0.118,626 -0.352,627 0.121,628 -0.312,629 1.783,630 5.298,631 0.609,632 20.405,633 1.005,634 1.133,635 2.769,636 7.668,637 0.642,638 3.258,639 3.584,640 3.829,641 4.06,642 4.174,643 4.248,644 4.369,645 4.489,646 4.489,647 4.533,648 6.08,649 0.612,650 315.41,651 3.258,652 4.796,653 5.638,654 6.512,655 7.375,656 8.254,657 9.126,658 10.009,659 10.886,660 11.771,661 6.8,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 44,700 9,701 1,702 25,704 46,705 17,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 2,719 1,721 10,722 7,723 1,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 21,737 6,738 1,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,767 1,770 2,773 1,777 2,781 3,785 23,789 3,790 1,791 2,793 1,794 1,801 6.8,804 1,806 2,808 12.167,809 8.817,810 5.028,811 2.699,812 2.17,813 1.313,814 0.95,815 4.689,816 9.107,817 3.466,818 3.998,819 4.525,820 5.016,821 5.482,822 5.757,823 6.135,824 6.531,825 6.787,826 6.999,827 0.857,828 32,829 8.508,831 3.556,832 7.732,833 16.277,835 13.075,837 2.232,838 51.333,841 1,842 235.422,843 98.275,844 37.921,846 47.145,849 98.275,850 282.567,851 37.921,852 26.047,853 14.415,854 55.916,855 32.606,856 52.458,857 25.441,858 211.88,860 235.422,861 136.196,862 47.145,865 211.88,866 70.687,869 66.861,870 57.101,871 12.233,873 235.422,874 85.065,875 98.275,878 235.422,879 34.323,880 67.076,881 18.011,882 63.93,883 235.422,884 85.065,885 98.275,887 0.585,888 0.33,889 0.168,890 0.083,891 17,892 8,893 0.109,894 5,895 1,896 1.143,897 3.572,898 177.701,899 0.143,900 14,901 102.042,904 16.029,905 6.728,906 3.567,908 85.065,909 5.569,914 2.275,916 18.011,917 418.763,918 31,922 12.298,923 1.762,924 4.407,925 0.899,926 44.24,927 49.86,928 0.287,929 0.655,930 0.846,931 0.874,932 0.882,933 0.882,934 4.723,935 1.099,936 5.631,937 4.197,938 4.263,939 4.682,940 2.409,941 6.431,942 4.179,943 5.914,944 1.045,945 7.189,946 2.452,947 3.892,948 4.494,949 0.81,950 7.302,951 3.766,952 7.216,953 0.507,954 8.845,955 2.263,956 5.849,957 6.778,958 2.778,959 10.391,960 5.677,961 8.554,962 0.256,963 10.559,964 1.229,965 6.293,966 7.391,967 1.554,968 12.092,969 6.067,970 9.926,971 -0.088,972 12.309,973 0.599,974 7.734,975 9.181,976 3.292,977 14.694,978 7.467,979 11.321,980 -0.472,981 14.085,982 -0.228,983 8.55,984 10.161,985 2.257,986 16.744,987 8.222,988 12.734,989 -0.836,990 15.88,991 -1.158,992 9.793,993 11.741,994 3.873,995 19.172,996 9.424,997 3.142,998 -0.94,999 17.689,1000 -2,1001 10.779,1002 12.903,1003 2.951,1004 21.374,1005 10.351,1006 2.932,1007 10.397,1008 19.511,1009 -2.286,1010 11.945,1011 14.382,1012 4.489,1013 23.736,1014 11.474,1015 2.361,1016 9.256,1017 21.342,1018 3.987,1019 13.008,1020 15.637,1021 3.641,1022 26.004,1023 12.48,1024 2.227,1025 7.248,1026 23.18,1027 3.772,1028 14.146,1029 17.065,1030 5.126,1031 28.342,1032 13.574,1033 1.972,1034 6.099,1035 25.025,1036 2.981,1037 15.244,1038 18.371,1039 4.328,1040 30.64,1041 14.618,1042 1.592,1043 5.166,1044 26.875,1045 2.529,1046 16.374,1047 19.771,1048 5.774,1049 32.971,1050 15.702,1051 1.534,1052 4.602,1053 28.73,1054 2.205,1055 17.488,1056 21.104,1057 5.012,1058 35.285,1059 16.765,1060 5702,1061 9193,1062 16.414,1063 28.233,1064 38.155,1065 39.498,1066 38.696,1067 37.362,1068 37.332,1069 45.454,1070 9.603,1071 107.016,1072 35.813,1073 5.389,1074 5.813,1075 6.155,1076 5.138,1077 5.142,1078 6.987,1079 2.791,1080 17.431,1081 4.997,1082 12.162,1083 1.526,1084 1.58,1085 1.548,1086 1.494,1087 1.493,1088 1.818,1089 0.384,1090 4.281,1091 1.433,1092 4.001,1093 4.023,1094 3.962,1095 3.898,1096 7.428,1097 3.908,1098 3.832,1099 3.875,1100 3.787,1101 3.649,1102 5.013,1103 3.666,1104 3.711,1105 3.77,1106 3.561,1107 3.559,1108 4.749,1109 3.563,1110 3.357,1111 3.407,1112 3.253,1113 3.136,1114 4.364,1115 3.155,1116 3.264,1117 3.345,1118 3.091,1119 3.024,1120 4.247,1121 3.026,1122 3.092,1123 3.171,1124 2.902,1125 2.875,1126 3.995,1127 2.872,1128 2.874,1129 3.009,1130 2.707,1131 2.699,1132 3.899,1133 2.689,1134 2.859,1135 2.928,1136 2.663,1137 2.618,1138 3.854,1139 2.57,1140 0.178,1141 0.153,1142 0.264,1143 0.164,1144 0.126,1145 4.451,1146 0.159,1147 3.813,1148 0.056,1149 6.612,1150 0.416,1151 4.095,1152 0.12,1153 3.142,1154 3.987,1155 1.399,1156 10.397,1157 2.997,1158 1.891,1159 1.876,1160 2.013,1161 1.971,1162 1.304,1163 1.974,1164 1.76,1165 1.695,1166 1.975,1167 1.939,1168 1.098,1169 1.963,1170 1.477,1171 1.439,1172 1.705,1173 1.754,1174 0.83,1175 1.741,1176 1.444,1177 1.379,1178 1.617,1179 1.635,1180 0.725,1181 1.62,1182 1.214,1183 1.132,1184 1.485,1185 1.519,1186 0.584,1187 1.494,1188 1.154,1189 1.109,1190 1.431,1191 1.452,1192 0.555,1193 1.466,1194 0.934,1195 0.804,1196 1.417,1197 1.239,1198 0.469,1199 1.308,1200 0.82,1201 0.757,1202 1.125,1203 1.116,1204 0.222,1205 1.134,1206 3.932,1208 5.252,1209 3.045,1210 6.744,1211 5.416,1212 8.318,1213 7.496,1214 9.938,1216 6.056,1222 2.062,1223 3.22,1224 10.64,1226 0.606,1227 1.541,1231 26.95,1232 68.98,1233 157.46,1234 203.195,1235 209.95,1236 211.95,1237 211.95,1238 35.965,1239 6.937,1240 65.38,1241 65.38,1242 16,1243 12.305,1244 3.322,1245 2.807,1246 36.962,1247 82,1248 85,1249 0.219,1250 166.467,1251 298.21,1252 397.94,1253 8898,1255 16.397,1256 0.713,1257 0.592,1258 16.397,1259 13.627,1260 11.042,1261 0.442,1262 0.311,1263 7.617,1264 10.502,1265 7.343,1266 6.186,1267 11.042,1268 7.763,1269 10.165,1270 0.29,1271 0.173,1272 10.165,1273 6.051,1274 8.313,1275 0.185,1276 0.084,1277 8.313,1278 3.773,1279 6.599,1280 0.116,1281 0.042,1282 6.599,1283 2.39,1284 4.816,1285 0.075,1286 0.022,1287 4.816,1288 1.439,1289 0.345,1290 70.129,1291 0.247,1292 22.802,1293 0.596,1294 120,1295 374.83,1296 135.877,1297 351.194,1298 481.03,1299 330,1300 140,1301 356.222,1302 156.822,1303 358.39,1304 527.94,1305 334,1306 6.337} {0 CHEMBL1802848,1 1.65,2 9.238,3 1.783,4 3.178,5 78.508,6 7.926,7 0.261,8 3.714,9 3.819,10 3.336,11 3.187,12 4.886,13 3.21,14 4.226,15 4.381,16 3.69,17 3.534,18 5.401,19 3.549,20 4.314,21 4.487,22 3.648,23 3.585,24 5.524,25 3.567,26 4.376,27 4.586,28 3.464,29 3.528,30 5.497,31 3.48,32 4.238,33 4.448,34 3.396,35 3.449,36 5.34,37 3.394,38 4.226,39 4.439,40 3.367,41 3.374,42 5.401,43 3.335,44 4.099,45 4.288,46 3.282,47 3.261,48 5.358,49 3.211,50 4.06,51 4.299,52 3.073,53 3.119,54 5.155,55 3.035,56 0.073,57 0.534,58 6.654,59 3.025,60 8.027,61 3.673,62 0.442,63 0.821,64 13.606,65 4.788,66 22.348,67 5.9,68 0.267,69 0.881,70 14.74,71 5.48,72 27.8,73 7.162,74 0.457,75 0.891,76 17.45,77 5.236,78 44.435,79 6.955,80 0.26,81 0.786,82 14.784,83 5.189,84 27.814,85 7.043,86 0.366,87 0.742,88 15.294,89 4.823,90 38.21,91 6.445,92 0.367,93 0.65,94 12.724,95 4.492,96 39.814,97 5.985,98 0.395,99 0.581,100 13.708,101 4.454,102 37.146,103 6.277,104 13,105 32,106 0.3,107 0.698,108 0.843,109 0.877,110 0.887,111 0.887,112 3.103,113 0.85,114 -3.43,115 -3.41,116 -3.26,119 41.7,123 1,124 1,125 1,129 1,130 2,132 1,133 3,134 1,135 2,147 1,148 1,159 5,161 3,162 3,164 2,166 1,168 4,171 1,172 7,176 1,178 2,182 9,185 1,187 1,194 8,199 1,205 1,206 3,211 2,213 1,216 3,217 1,222 1,224 2,228 2,232 1,237 3,245 1,250 3,255 554,256 14.301,257 14.301,258 14.301,259 14.301,260 14.301,261 12.989,262 19.179,263 8.515,264 14.647,265 11.305,266 11.305,267 11.305,268 11.305,269 11.305,270 9.049,271 21.841,272 3.999,273 11.859,274 3.52,275 1.335,276 0.542,277 0.354,278 0.299,279 0.299,280 3.781,283 1,284 1,285 417,286 2.739,288 107.28,289 53.499,291 85.605,295 1.51,296 22.321,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 46.5,307 194,308 4.451,309 3.813,310 6.612,311 4.094,312 3.142,313 3.987,314 1.402,315 10.397,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.687,327 2.881,328 5.555,329 3.319,330 2.355,331 2.981,332 1.012,333 7.247,334 2.26,335 3.367,336 2.478,337 5.172,338 2.979,339 2.011,340 2.529,341 0.568,342 6.093,343 1.931,344 2.973,345 2.014,346 4.683,347 2.563,348 1.622,349 2.029,350 0.532,351 4.625,352 1.522,353 2.885,354 1.986,355 4.362,356 2.477,357 1.534,358 1.986,359 0.224,360 4.197,361 1.437,362 2.804,363 1.947,364 3.509,365 2.325,366 1.347,367 1.732,369 2.608,370 1.31,371 2.202,372 1.675,373 3.451,374 2.092,375 1.098,376 1.181,378 2.451,379 1.09,380 1.904,381 1.285,382 3.145,383 1.478,384 0.514,385 0.631,386 1.233,387 0.488,388 1.756,389 0.795,390 2.956,391 1.367,392 0.401,393 0.504,394 0.773,395 0.384,396 1.618,397 0.529,398 2.643,399 1.069,400 0.105,401 0.149,402 0.223,403 0.101,404 0.941,405 -0.039,406 2.366,407 0.635,408 -0.342,409 -0.407,411 -0.785,412 -0.329,413 0.636,414 -0.399,415 2.181,416 0.197,417 -0.769,418 -1.035,420 -1.793,421 -0.738,422 0.46,423 -0.582,424 1.949,425 0.078,426 -0.911,427 -1.189,429 -2.504,430 -0.895,431 0.279,432 -0.596,433 1.643,434 -0.122,435 -1.129,436 -1.36,438 -2.537,439 -1.1,440 9.7,441 0.462,442 0.486,443 0.023,444 27,445 1.286,446 12.5,447 0.595,448 14.5,449 0.69,450 13.756,451 0.655,452 22.7,453 0.631,454 19.464,455 0.927,456 5.817,457 0.277,458 4.369,459 0.208,460 0.137,462 0.351,466 0.849,467 1.487,468 0.712,469 1.2,470 0.694,471 0.966,472 0.982,473 0.813,474 0.824,475 0.782,476 0.71,477 0.765,478 0.892,479 1.293,480 0.902,481 1.167,482 0.85,483 1.056,484 1.247,485 0.938,486 1.217,487 0.9,488 1.4,489 1.004,490 0.882,491 1.141,492 0.953,493 1.066,494 0.961,495 1.026,496 1.123,497 0.927,498 0.995,499 0.883,500 1.576,501 0.896,502 0.779,503 1.164,504 1.01,505 1.212,506 1.182,507 1.176,508 0.668,509 0.88,510 0.873,511 0.976,512 1.047,513 0.977,514 4,515 0.041,516 2.444,517 1.896,518 0.898,519 0.66,520 0.416,521 0.24,522 0.183,523 0.075,524 4411,525 13058,526 2.074,527 41.7,529 12,530 2,532 1,536 1.63,537 1.938,538 3.196,539 -0.244,540 1,541 1,543 1,545 59.401,546 1.65,547 3.835,548 4.628,549 4.816,550 4.871,551 4.871,552 2.725,553 4.297,554 4.361,555 3.326,556 698.511,557 7.467,558 7400.04,559 1,560 1,562 1,563 186.117,564 1.418,565 4.322,566 0.174,567 0.007,568 0.076,569 0.063,570 0.037,571 0.029,572 0.019,573 0.013,574 0.012,575 0.008,576 0.438,577 0.5,578 1,579 1.238,580 95.053,581 -0.07,582 -0.316,583 0.063,584 -0.168,585 -0.111,586 -0.046,587 0.104,588 0.292,589 0.086,590 0.175,591 0.01,592 0.131,593 -0.029,594 -0.242,595 -0.006,596 -0.181,597 0.078,598 -0.105,599 -0.235,600 0.098,601 -0.248,602 0.02,603 -0.21,604 -0.083,605 -0.086,606 -0.145,607 -0.015,608 -0.083,609 -0.006,610 -0.039,611 -0.114,612 0.054,613 -0.006,614 0.066,615 -0.124,616 0.062,617 0.216,618 -0.186,619 -0.054,620 -0.236,621 0.095,622 -0.215,623 0.29,624 0.011,625 0.159,626 -0.005,627 0.082,628 0.037,629 1.82,630 5.138,631 0.667,632 16.15,633 1.016,634 1.128,635 2.197,636 4.825,637 0.665,638 3.178,639 3.497,640 3.784,641 4.025,642 4.143,643 4.19,644 4.29,645 4.394,646 4.369,647 4.443,648 5.453,649 0.649,650 285.33,651 3.178,652 4.71,653 5.565,654 6.441,655 7.315,656 8.198,657 9.079,658 9.964,659 10.847,660 11.734,661 8.3,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 36,700 10,701 1,702 23,704 38,705 15,706 6,707 3,708 3,709 4,710 3,711 4,714 1,721 12,722 3,724 4,725 1,728 1,729 2,730 1,731 3,732 1,733 1,736 15,737 6,738 1,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,767 1,769 1,770 3,773 1,777 2,781 1,785 21,789 2,790 1,791 2,794 1,801 8.3,804 1,806 2,808 10.833,809 6.817,810 4.694,811 1.949,812 2.256,813 1.333,814 0.974,815 3.773,816 9.033,817 3.434,818 3.961,819 4.514,820 5.01,821 5.487,822 5.751,823 6.137,824 6.524,825 6.775,826 6.992,827 1,828 30,829 7.722,831 3.244,832 7.857,833 14.464,835 11.462,837 2.357,838 49.5,842 164.795,843 103.333,844 37.921,846 47.145,849 103.333,850 211.94,851 37.921,852 8.396,853 27.647,854 65.392,855 32.606,856 52.458,857 25.441,858 141.253,860 164.795,861 141.254,862 47.145,865 164.795,866 47.145,869 46.677,870 72.868,871 21.709,873 164.795,874 85.065,875 103.333,878 164.795,879 31.789,880 58.902,881 18.011,882 79.697,883 164.795,884 85.065,885 103.333,887 0.576,888 0.344,889 0.183,890 0.094,891 16,892 7,893 0.105,894 4,895 1,896 1.143,897 3.381,898 159.103,899 0.143,900 14,901 92.239,904 13.86,905 5.716,906 2.704,908 85.065,909 5.504,914 2.228,916 18.011,917 353.194,918 30,919 3.624,922 12.138,923 3.434,924 4.3,925 0.744,926 36.589,927 40.614,928 0.319,929 0.742,930 0.895,931 0.931,932 0.942,933 0.942,934 4.677,935 1.098,936 5.549,937 2.608,938 4.174,939 4.644,940 2.456,941 6.365,942 4.083,943 5.87,944 0.514,945 7.114,946 2.451,947 3.761,948 4.425,949 0.81,950 7.252,951 3.617,952 7.173,953 0.401,954 8.78,955 1.233,956 5.771,957 6.76,958 2.798,959 10.362,960 5.584,961 8.516,962 0.105,963 10.504,964 0.773,965 6.217,966 7.366,967 1.554,968 12.077,969 5.969,970 9.893,971 -0.342,972 12.264,973 0.223,974 7.677,975 9.172,976 3.303,977 14.684,978 7.393,979 11.293,980 -0.769,981 14.049,982 -0.785,983 8.506,984 10.152,985 2.266,986 16.74,987 8.16,988 12.71,989 -0.911,990 15.852,991 -1.793,992 9.757,993 11.738,994 3.881,995 19.169,996 9.374,997 3.142,998 -1.129,999 17.668,1000 -2.504,1001 10.754,1002 12.9,1003 2.967,1004 21.372,1005 10.312,1006 2.932,1007 10.397,1008 19.495,1009 -2.537,1010 11.924,1011 14.381,1012 4.497,1013 23.735,1014 11.442,1015 2.355,1016 9.256,1017 21.33,1018 3.987,1019 12.994,1020 15.637,1021 3.662,1022 26.003,1023 12.457,1024 2.011,1025 7.247,1026 23.172,1027 3.772,1028 14.135,1029 17.065,1030 5.134,1031 28.342,1032 13.555,1033 1.622,1034 6.093,1035 25.019,1036 2.981,1037 15.236,1038 18.37,1039 4.353,1040 30.64,1041 14.604,1042 1.534,1043 4.625,1044 26.871,1045 2.529,1046 16.367,1047 19.771,1048 5.784,1049 32.971,1050 15.69,1051 1.347,1052 4.197,1053 28.727,1054 2.029,1055 17.484,1056 21.104,1057 5.04,1058 35.285,1059 16.756,1060 4324,1061 7554,1062 15.315,1063 23.949,1064 35.141,1065 36.023,1066 35.628,1067 34.153,1068 34.124,1069 42.96,1070 10.257,1071 98.205,1072 32.608,1073 5.344,1074 5.813,1075 6.473,1076 5.137,1077 5.142,1078 6.987,1079 2.793,1080 17.431,1081 4.997,1082 9.739,1083 1.528,1084 1.566,1085 1.549,1086 1.485,1087 1.484,1088 1.868,1089 0.446,1090 4.27,1091 1.418,1092 3.999,1093 4.02,1094 3.961,1095 3.897,1096 7.428,1097 3.907,1098 3.822,1099 3.861,1100 3.785,1101 3.617,1102 5.013,1103 3.653,1104 3.57,1105 3.63,1106 3.438,1107 3.43,1108 4.791,1109 3.423,1110 3.335,1111 3.371,1112 3.233,1113 3.101,1114 4.66,1115 3.128,1116 3.092,1117 3.178,1118 2.919,1119 2.877,1120 4.348,1121 2.878,1122 3.013,1123 3.099,1124 2.867,1125 2.752,1126 3.992,1127 2.759,1128 2.846,1129 2.897,1130 2.707,1131 2.68,1132 3.855,1133 2.68,1134 2.656,1135 2.707,1136 2.513,1137 2.45,1138 3.838,1139 2.447,1140 0.194,1141 0.166,1142 0.287,1143 0.178,1144 0.137,1145 4.451,1146 0.173,1147 3.813,1148 0.061,1149 6.612,1150 0.452,1151 4.094,1152 0.13,1153 3.142,1154 3.987,1155 1.402,1156 10.397,1157 2.997,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.972,1164 1.631,1165 1.564,1166 1.85,1167 1.854,1168 0.909,1169 1.85,1170 1.465,1171 1.439,1172 1.672,1173 1.691,1174 0.729,1175 1.685,1176 1.371,1177 1.301,1178 1.505,1179 1.566,1180 0.584,1181 1.551,1182 1.156,1183 1.124,1184 1.433,1185 1.515,1186 0.554,1187 1.481,1188 0.969,1189 0.87,1190 1.306,1191 1.257,1192 0.201,1193 1.284,1194 0.794,1195 0.744,1196 1.082,1197 0.998,1198 0.153,1199 1.021,1200 0.729,1201 0.698,1202 0.94,1203 0.986,1205 0.977,1206 3.85,1208 5.165,1209 3.045,1210 6.666,1211 5.416,1212 8.253,1213 7.496,1214 9.888,1216 1.678,1222 0.776,1223 3.02,1224 10.578,1227 1.475,1231 23.369,1232 59.401,1233 138.059,1234 166.608,1235 173.362,1236 175.362,1237 175.362,1238 29.05,1239 6.777,1240 65.38,1241 65.38,1242 16,1243 12.266,1244 3.459,1245 3,1246 32.258,1247 68,1248 76,1249 0.236,1250 144.355,1251 260.97,1252 343.987,1253 7076,1255 14.82,1256 0.706,1257 0.554,1258 14.82,1259 11.627,1260 10.186,1261 0.443,1262 0.283,1263 6.371,1264 9.646,1265 6.214,1266 5.181,1267 10.186,1268 6.517,1269 8.982,1270 0.281,1271 0.144,1272 8.982,1273 4.611,1274 7.885,1275 0.183,1276 0.074,1277 7.885,1278 3.172,1279 6.277,1280 0.114,1281 0.038,1282 6.277,1283 2.081,1284 4.691,1285 0.076,1286 0.021,1287 4.691,1288 1.274,1289 0.366,1290 64.993,1291 0.256,1292 20.862,1293 0.653,1294 110,1295 372.83,1296 125.877,1297 349.258,1298 477.22,1299 328,1300 130,1301 352.222,1302 146.822,1303 353.716,1304 521.56,1305 330,1306 6.357} {0 CHEMBL1802849,1 1.619,2 9.364,3 1.986,4 3.944,5 81.287,6 7.676,7 0.24,8 3.805,9 3.911,10 3.41,11 3.295,12 4.876,13 3.307,14 4.343,15 4.509,16 3.73,17 3.64,18 5.424,19 3.629,20 4.442,21 4.641,22 3.687,23 3.666,24 5.552,25 3.628,26 4.468,27 4.693,28 3.504,29 3.598,30 5.52,31 3.539,32 4.321,33 4.537,34 3.477,35 3.52,36 5.349,37 3.465,38 4.328,39 4.543,40 3.477,41 3.501,42 5.41,43 3.462,44 4.264,45 4.453,46 3.392,47 3.432,48 5.399,49 3.363,50 4.243,51 4.499,52 3.141,53 3.257,54 5.271,55 3.152,56 0.058,57 0.589,58 7.773,59 3.468,60 4.923,61 4.356,62 0.435,63 0.915,64 15.932,65 5.656,66 22.238,67 7.296,68 0.271,69 0.979,70 18.067,71 6.32,72 27.968,73 8.739,74 0.466,75 0.965,76 19.918,77 5.733,78 43.231,79 8.025,80 0.243,81 0.859,82 16.426,83 5.521,84 24.886,85 7.765,86 0.377,87 0.84,88 17.036,89 5.164,90 36.747,91 7.095,92 0.36,93 0.767,94 15.209,95 5.504,96 32.017,97 7.435,98 0.453,99 0.675,100 17.077,101 5.381,102 43.978,103 7.696,104 5,105 36,106 0.29,107 0.663,108 0.82,109 0.851,110 0.86,111 0.86,112 3.147,113 0.891,114 -3.76,115 -3.72,116 -3.54,119 41,121 2,122 1,123 1,124 1,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 7,161 3,162 3,164 2,166 1,168 4,171 1,172 7,176 2,178 2,182 9,185 1,187 1,194 10,199 1,205 1,206 3,211 2,213 1,216 3,217 2,222 1,224 3,228 2,232 1,237 4,245 1,250 5,255 644,256 15.033,257 15.033,258 15.033,259 15.033,260 15.033,261 13.851,262 18.585,263 8.66,264 15.371,265 12.323,266 12.323,267 12.323,268 12.323,269 12.323,270 10.288,271 21.377,272 4.127,273 12.861,274 3.667,275 1.584,276 0.705,277 0.532,278 0.481,279 0.481,280 3.832,283 1,284 1,285 464,286 2.646,287 42.753,288 113.335,289 56.896,291 91.006,295 1.579,296 22.109,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 48.5,307 206,308 4.451,309 3.813,310 6.612,311 4.096,312 3.144,313 3.987,314 1.399,315 10.398,316 2.998,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.257,325 2.783,326 3.715,327 2.898,328 5.576,329 3.652,330 2.657,331 2.984,332 1.005,333 7.456,334 2.643,335 3.629,336 2.632,337 5.473,338 3.311,339 2.345,340 2.676,341 0.532,342 7.186,343 2.255,344 3.337,345 2.477,346 5.166,347 2.938,348 1.97,349 2.477,350 0.27,351 6.067,352 1.891,353 2.972,354 2.008,355 4.678,356 2.525,357 1.584,358 2.029,359 0.204,360 4.607,361 1.484,362 2.885,363 1.982,364 4.362,365 2.476,366 1.534,367 1.984,369 4.197,370 1.436,371 2.202,372 1.676,373 3.46,374 2.093,375 1.099,376 1.181,378 2.452,379 1.091,380 1.993,381 1.473,382 3.408,383 1.817,384 0.858,385 0.924,386 2.022,387 0.817,388 1.852,389 0.974,390 3.14,391 1.453,392 0.505,393 0.61,394 1.226,395 0.473,396 1.636,397 0.781,398 2.954,399 1.213,400 0.22,401 0.289,402 0.53,403 0.216,404 1.016,405 0.06,406 2.63,407 0.812,408 -0.152,409 -0.17,411 -0.406,412 -0.146,413 0.764,414 -0.18,415 2.366,416 0.486,417 -0.496,418 -0.563,420 -1.202,421 -0.482,422 0.537,423 -0.534,424 2.181,425 0.129,426 -0.837,427 -1,429 -2.266,430 -0.799,431 0.368,432 -0.583,433 2,434 0.039,435 -0.94,436 -1.068,438 -2.512,439 -0.921,440 10.2,441 0.464,442 0.554,443 0.025,444 27,445 1.227,446 11.5,447 0.523,448 15.5,449 0.705,450 16.19,451 0.736,452 24,453 0.615,454 18.163,455 0.826,456 5.258,457 0.239,458 5.445,459 0.248,460 0.082,462 0.382,466 0.821,467 1.453,468 0.723,469 1.186,470 0.597,471 0.97,472 0.924,473 0.894,474 0.882,475 0.896,476 0.639,477 0.881,478 0.839,479 1.267,480 0.863,481 1.124,482 0.775,483 1.015,484 1.244,485 0.892,486 1.175,487 0.845,488 1.389,489 0.947,490 0.891,491 1.208,492 0.922,493 1.057,494 0.994,495 0.998,496 1.186,497 0.868,498 1.027,499 0.813,500 1.617,501 0.855,502 0.778,503 1.251,504 1.069,505 1.329,506 1.303,507 1.278,508 0.774,509 0.815,510 0.883,511 0.899,512 1.365,513 0.919,514 4.5,515 0.032,516 2.722,517 1.868,518 0.853,519 0.605,520 0.497,521 0.259,522 0.201,523 0.064,524 5674,525 14190,526 2.176,527 43.6,528 4,529 9,530 2,532 1,534 1,536 1.643,537 2.063,538 3.221,539 -0.265,540 1,541 1,543 1,545 63.134,546 1.619,547 3.701,548 4.58,549 4.753,550 4.805,551 4.805,552 2.72,553 4.278,554 4.429,555 3.388,556 782.555,557 7.6,558 8633.54,559 1,560 1,562 1,563 206.131,564 1.322,565 4.403,566 0.18,567 0.004,568 0.082,569 0.06,570 0.034,571 0.024,572 0.02,573 0.012,574 0.013,575 0.005,576 0.435,577 0.5,578 1,579 0.517,580 101.567,581 -0.055,582 -0.26,583 0.075,584 -0.121,585 -0.03,586 -0.015,587 0.122,588 0.205,589 0.04,590 0.082,591 0.08,592 0.045,593 0.01,594 -0.236,595 0.068,596 -0.139,597 0.137,598 -0.043,599 -0.218,600 0.145,601 -0.189,602 0.068,603 -0.176,604 -0.024,605 -0.077,606 -0.191,607 0.021,608 -0.083,609 -0.025,610 -0.021,611 -0.155,612 0.165,613 -0.049,614 0.122,615 -0.158,616 0.08,617 0.199,618 -0.262,619 -0.126,620 -0.335,621 0.036,622 -0.308,623 0.233,624 0.052,625 0.157,626 0.063,627 0.02,628 0.087,629 1.768,630 5.261,631 0.773,632 17.777,633 1.012,634 1.129,635 2.526,636 6.38,637 0.659,638 3.258,639 3.611,640 3.85,641 4.078,642 4.205,643 4.29,644 4.419,645 4.543,646 4.533,647 4.575,648 5.693,649 0.638,650 299.36,651 3.258,652 4.812,653 5.68,654 6.564,655 7.442,656 8.328,657 9.209,658 10.095,659 10.979,660 11.865,661 7.7,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 39,700 9,701 1,702 25,704 42,705 16,706 6,707 3,708 3,709 4,710 4,711 5,714 1,716 2,717 1,719 2,721 10,722 6,723 1,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 17,737 6,738 1,739 6,743 3,747 0.75,748 3,758 1,759 2,760 1,762 1,767 1,770 2,773 1,777 3,781 1,785 22,789 4,790 1,791 2,793 1,794 1,801 7.7,804 1,806 2,808 10.667,809 7.317,810 4.694,811 2.365,812 2.171,813 1.31,814 1,815 3.394,816 9.176,817 3.466,818 4.016,819 4.535,820 5.023,821 5.495,822 5.769,823 6.154,824 6.55,825 6.805,826 7.021,827 1,828 31,829 8.152,831 3.558,832 7.72,833 15.679,835 13.264,837 2.22,838 48.833,842 188.338,843 83.159,844 37.921,846 47.145,849 83.159,850 235.482,851 37.921,852 8.396,853 16.949,854 55.916,855 32.606,856 52.458,857 25.441,858 164.795,860 188.338,861 121.08,862 47.145,865 176.567,866 58.916,869 51.746,870 57.101,871 12.233,873 188.338,874 85.065,875 83.159,878 188.338,879 36.858,880 49.426,881 18.011,882 63.93,883 188.338,884 85.065,885 83.159,887 0.594,888 0.333,889 0.169,890 0.081,891 20,892 8,893 0.095,894 4,895 1,896 1.118,897 3.626,898 175.038,899 0.118,900 17,901 96.107,904 13.794,905 5.413,906 2.9,908 85.065,909 5.584,914 2.296,916 18.011,917 356.562,918 31,922 12.261,923 1.77,924 4.41,925 0.958,926 39.473,927 44.03,928 0.306,929 0.7,930 0.867,931 0.899,932 0.909,933 0.909,934 4.741,935 1.099,936 5.673,937 4.197,938 4.29,939 4.7,940 2.409,941 6.491,942 4.209,943 5.946,944 0.858,945 7.244,946 2.452,947 4.007,948 4.559,949 0.81,950 7.427,951 3.896,952 7.261,953 0.505,954 8.91,955 2.022,956 5.922,957 6.807,958 2.778,959 10.468,960 5.761,961 8.607,962 0.22,963 10.631,964 1.226,965 6.415,966 7.433,967 1.554,968 12.181,969 6.215,970 9.983,971 -0.152,972 12.384,973 0.53,974 7.832,975 9.205,976 3.292,977 14.756,978 7.59,979 11.379,980 -0.496,981 14.161,982 -0.406,983 8.665,984 10.185,985 2.257,986 16.8,987 8.374,988 12.79,989 -0.837,990 15.954,991 -1.202,992 9.894,993 11.756,994 3.873,995 19.214,996 9.563,997 3.144,998 -0.94,999 17.76,1000 -2.266,1001 10.881,1002 12.916,1003 2.951,1004 21.406,1005 10.497,1006 2.932,1007 10.398,1008 19.577,1009 -2.512,1010 12.038,1011 14.39,1012 4.489,1013 23.761,1014 11.611,1015 2.657,1016 9.257,1017 21.402,1018 3.987,1019 13.095,1020 15.644,1021 3.641,1022 26.023,1023 12.614,1024 2.345,1025 7.456,1026 23.235,1027 3.772,1028 14.225,1029 17.07,1030 5.126,1031 28.357,1032 13.699,1033 1.97,1034 7.186,1035 25.074,1036 2.984,1037 15.316,1038 18.374,1039 4.328,1040 30.652,1041 14.737,1042 1.584,1043 6.067,1044 26.919,1045 2.676,1046 16.438,1047 19.773,1048 5.774,1049 32.98,1050 15.812,1051 1.534,1052 4.607,1053 28.768,1054 2.477,1055 17.546,1056 21.106,1057 5.012,1058 35.292,1059 16.868,1060 5227,1061 8420,1062 17.107,1063 25.71,1064 38.607,1065 39.992,1066 38.686,1067 37.705,1068 37.696,1069 45.824,1070 9.603,1071 110.794,1072 36.176,1073 5.434,1074 5.813,1075 6.124,1076 5.16,1077 5.144,1078 6.987,1079 2.791,1080 17.437,1081 4.998,1082 7.879,1083 1.544,1084 1.6,1085 1.547,1086 1.508,1087 1.508,1088 1.833,1089 0.384,1090 4.432,1091 1.447,1092 4.007,1093 4.038,1094 3.965,1095 3.901,1096 7.428,1097 3.911,1098 3.91,1099 3.951,1100 3.816,1101 3.801,1102 5.013,1103 3.791,1104 3.784,1105 3.822,1106 3.719,1107 3.586,1108 4.75,1109 3.623,1110 3.346,1111 3.381,1112 3.25,1113 3.116,1114 4.374,1115 3.143,1116 3.147,1117 3.248,1118 3.011,1119 2.89,1120 4.268,1121 2.904,1122 3.091,1123 3.165,1124 2.897,1125 2.859,1126 3.989,1127 2.856,1128 2.85,1129 2.903,1130 2.707,1131 2.692,1132 3.855,1133 2.685,1134 2.656,1135 2.715,1136 2.542,1137 2.461,1138 3.794,1139 2.451,1140 0.178,1141 0.153,1142 0.264,1143 0.164,1144 0.126,1145 4.451,1146 0.159,1147 3.813,1148 0.056,1149 6.612,1150 0.416,1151 4.096,1152 0.12,1153 3.144,1154 3.987,1155 1.399,1156 10.398,1157 2.998,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.971,1164 1.553,1165 1.477,1166 1.762,1167 1.819,1168 1.076,1169 1.801,1170 1.461,1171 1.438,1172 1.653,1173 1.666,1174 0.825,1175 1.655,1176 1.306,1177 1.233,1178 1.513,1179 1.526,1180 0.739,1181 1.515,1182 1.156,1183 1.123,1184 1.491,1185 1.498,1186 0.586,1187 1.477,1188 1.153,1189 1.064,1190 1.432,1191 1.376,1192 0.559,1193 1.429,1194 0.869,1195 0.787,1196 1.168,1197 1.152,1198 0.338,1199 1.17,1200 0.794,1201 0.739,1202 1.081,1203 0.991,1204 0.153,1205 1.021,1206 3.932,1207 1.946,1208 5.273,1209 4.111,1210 6.792,1211 6.107,1212 8.388,1213 8.005,1214 10.024,1216 1.738,1222 3.647,1223 3.251,1224 10.633,1226 0.73,1227 1.557,1231 24.896,1232 63.134,1233 144.356,1234 178.621,1235 185.376,1236 187.376,1237 187.376,1238 29.088,1239 7.005,1240 65.38,1241 65.38,1242 19,1243 12.397,1244 3.322,1245 2.807,1246 29.994,1247 74,1248 71,1249 0.196,1250 149.482,1251 268.55,1252 356.495,1253 9732,1255 15.104,1256 0.687,1257 0.561,1258 15.104,1259 12.334,1260 10.704,1261 0.428,1262 0.297,1263 7.279,1264 10.167,1265 7.127,1266 5.881,1267 10.704,1268 7.425,1269 9.861,1270 0.274,1271 0.16,1272 9.861,1273 5.766,1274 8.31,1275 0.181,1276 0.081,1277 8.31,1278 3.725,1279 6.549,1280 0.113,1281 0.041,1282 6.549,1283 2.358,1284 4.849,1285 0.073,1286 0.022,1287 4.849,1288 1.44,1289 0.307,1290 68.099,1291 0.242,1292 21.88,1293 0.539,1294 122,1295 376.83,1296 137.877,1297 352.261,1298 485.83,1299 332,1300 146,1301 362.222,1302 162.989,1303 363.293,1304 538.53,1305 340,1306 6.699} {0 CHEMBL1802850,1 1.59,2 9.435,3 2.568,4 6.594,5 85.757,6 7.462,7 0.231,8 3.867,9 3.977,10 3.448,11 3.358,12 4.914,13 3.361,14 4.45,15 4.616,16 3.832,17 3.773,18 5.494,19 3.752,20 4.636,21 4.858,22 3.74,23 3.814,24 5.658,25 3.743,26 4.604,27 4.855,28 3.575,29 3.689,30 5.592,31 3.613,32 4.406,33 4.626,34 3.575,35 3.612,36 5.424,37 3.566,38 4.437,39 4.641,40 3.569,41 3.642,42 5.51,43 3.586,44 4.451,45 4.668,46 3.446,47 3.549,48 5.554,49 3.459,50 4.321,51 4.58,52 3.228,53 3.36,54 5.32,55 3.253,56 0.044,57 0.628,58 8.754,59 3.801,60 4.812,61 4.908,62 0.417,63 1.03,64 18.023,65 6.572,66 22.341,67 8.674,68 0.298,69 1.164,70 22.898,71 7.747,72 33.277,73 11.134,74 0.468,75 1.076,76 23.735,77 6.795,78 45.725,79 10.017,80 0.272,81 0.953,82 18.214,83 5.603,84 28.457,85 8.121,86 0.325,87 0.952,88 18.636,89 6.081,90 31.192,91 8.421,92 0.442,93 0.879,94 19.734,95 6.645,96 45.863,97 9.214,98 0.446,99 0.734,100 18.353,101 5.875,102 43.607,103 8.464,104 5,105 37,106 0.28,107 0.623,108 0.768,109 0.83,110 0.838,111 0.838,112 3.189,113 0.918,114 -4,115 -3.95,116 -3.74,119 40.5,121 4,123 1,125 1,126 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 7,161 3,162 3,164 2,166 2,168 7,171 1,172 7,176 2,178 2,182 11,185 1,187 1,194 10,199 1,205 1,206 4,211 2,213 2,216 3,217 2,222 1,224 4,228 2,232 1,237 6,245 1,250 6,255 715,256 15.74,257 15.74,258 15.74,259 15.74,260 15.74,261 14.558,262 20.167,263 9.201,264 16.079,265 12.84,266 12.84,267 12.84,268 12.84,269 12.84,270 10.815,271 26.377,272 4.402,273 13.388,274 3.803,275 1.859,276 1.036,277 0.685,278 0.637,279 0.637,280 3.885,283 1,284 1,285 485,286 2.449,288 181.481,289 59.24,291 94.809,295 1.584,296 22.794,297 1,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 50.5,307 217,308 4.454,309 3.815,310 6.618,311 4.102,312 3.151,313 3.988,314 1.399,315 10.43,316 3.002,317 4.273,318 3.305,319 6.194,320 3.884,321 2.933,322 3.774,323 1.392,324 9.258,325 2.784,326 3.724,327 2.951,328 5.628,329 3.526,330 2.552,331 2.993,332 1.005,333 7.565,334 2.48,335 3.531,336 2.497,337 5.339,338 3.285,339 2.313,340 2.648,341 0.532,342 6.856,343 2.237,344 3.236,345 2.457,346 5.097,347 2.876,348 1.906,349 2.301,350 0.27,351 5.828,352 1.836,353 2.97,354 2.007,355 4.644,356 2.513,357 1.567,358 2.028,359 0.204,360 4.53,361 1.475,362 2.885,363 1.982,364 4.362,365 2.476,366 1.534,367 1.981,369 4.195,370 1.436,371 2.202,372 1.675,373 3.471,374 2.126,375 1.142,376 1.182,378 2.549,379 1.12,380 2.199,381 1.418,382 3.447,383 2.091,384 1.098,385 1.181,386 2.451,387 1.089,388 1.879,389 1.127,390 3.153,391 1.618,392 0.618,393 0.618,394 1.372,395 0.618,396 1.647,397 0.789,398 3,399 1.461,400 0.508,401 0.617,402 1.232,403 0.479,404 1.618,405 0.618,406 2.969,407 1.266,408 0.274,409 0.347,411 0.653,412 0.268,413 1.116,414 0.177,415 2.786,416 0.848,417 -0.102,418 -0.12,420 -0.294,421 -0.097,422 0.784,423 -0.142,424 2.367,425 0.439,426 -0.539,427 -0.643,429 -1.434,430 -0.522,431 0.527,432 -0.559,433 2.211,434 0.11,435 -0.865,436 -1.105,438 -2.446,439 -0.829,440 10.7,441 0.465,442 0.554,443 0.024,444 27.5,445 1.196,446 11.5,447 0.5,448 16,449 0.696,450 18.457,451 0.802,452 25.3,453 0.602,454 18.626,455 0.81,456 5.234,457 0.228,458 5.969,459 0.26,460 0.078,462 0.364,466 0.816,467 1.457,468 0.751,469 1.202,470 0.597,471 0.996,472 0.865,473 0.957,474 0.861,475 0.936,476 0.6,477 0.904,478 0.798,479 1.229,480 0.936,481 1.138,482 0.706,483 1.068,484 1.109,485 0.896,486 1.012,487 0.799,488 1.251,489 0.856,490 1.026,491 1.089,492 0.967,493 0.917,494 1.053,495 0.904,496 1.112,497 1.047,498 1.105,499 1.04,500 1.51,501 1.051,502 0.918,503 1.105,504 1.05,505 1.166,506 1.714,507 1.148,508 0.754,509 0.785,510 0.836,511 0.854,512 1.323,513 0.866,514 4.5,515 0.054,516 2.444,517 1.993,518 0.853,519 0.796,520 0.456,521 0.321,522 0.177,523 0.074,524 6223,525 15125,526 2.168,527 45.2,528 4,529 8,530 2,532 1,534 4,536 1.656,537 2.06,538 3.244,539 -0.284,540 1,541 1,543 1,545 66.77,546 1.59,547 3.534,548 4.356,549 4.708,550 4.755,551 4.755,552 2.719,553 3.969,554 4.496,555 3.406,556 861.678,557 7.732,558 9789.04,559 1,560 1,562 1,563 226.477,564 1.302,565 4.469,566 0.173,567 0.005,568 0.066,569 0.062,570 0.032,571 0.028,572 0.017,573 0.015,574 0.01,575 0.005,576 0.414,577 0.5,578 1,579 0.503,580 107.689,581 -0.044,582 -0.247,583 0.076,584 -0.113,585 -0.022,586 -0.013,587 0.143,588 0.158,589 0.062,590 0.07,591 0.096,592 0.047,593 0.007,594 -0.207,595 0.007,596 -0.159,597 0.135,598 -0.088,599 -0.127,600 0.099,601 -0.009,602 0.118,603 -0.099,604 0.09,605 -0.148,606 -0.012,607 -0.015,608 0.029,609 -0.064,610 0.041,611 -0.127,612 0.014,613 -0.154,614 -0.076,615 -0.119,616 -0.105,617 0.145,618 -0.162,619 -0.064,620 -0.186,621 -0.047,622 -0.173,623 0.239,624 0.095,625 0.185,626 0.11,627 0.043,628 0.132,629 1.761,630 5.375,631 0.826,632 18.265,633 1.008,634 1.13,635 2.769,636 7.668,637 0.654,638 3.296,639 3.638,640 3.932,641 4.19,642 4.277,643 4.369,644 4.522,645 4.644,646 4.654,647 4.718,648 5.787,649 0.629,650 313.39,651 3.296,652 4.844,653 5.707,654 6.589,655 7.465,656 8.35,657 9.23,658 10.117,659 10.999,660 11.887,661 7.1,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 42,700 9,701 1,702 26,704 45,705 17,706 6,707 3,708 3,709 4,710 4,711 5,714 1,716 5,719 5,721 10,722 7,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 19,737 6,738 1,739 6,743 3,747 0.75,748 3,759 3,760 1,762 1,767 1,770 2,773 1,777 3,781 1,785 23,789 5,790 1,791 2,793 1,794 1,801 7.1,804 1,806 2,808 11.167,809 7.817,810 4.944,811 2.657,812 2.167,813 1.301,814 0.992,815 3.832,816 9.358,817 3.497,818 4.034,819 4.577,820 5.074,821 5.519,822 5.803,823 6.194,824 6.583,825 6.85,826 7.082,827 1,828 32,829 8.536,831 3.708,832 7.688,833 16.496,835 13.922,837 2.188,838 50.333,841 1,842 211.88,843 86.123,844 37.921,846 47.145,849 86.123,850 259.025,851 37.921,852 8.396,853 19.913,854 55.916,855 32.606,856 52.458,857 25.441,858 188.338,860 211.88,861 124.043,862 47.145,865 164.795,866 94.229,869 54.709,870 57.101,871 12.233,873 211.88,874 85.065,875 86.123,878 211.88,879 39.821,880 49.426,881 18.011,882 63.93,883 211.88,884 85.065,885 86.123,887 0.588,888 0.35,889 0.186,890 0.086,891 20,892 8,893 0.067,894 3,895 1,896 1.105,897 3.65,898 187.636,899 0.105,900 19,901 100.042,904 14.729,905 5.984,906 2.865,908 85.065,909 5.603,914 2.303,916 18.011,917 383.068,918 32,922 12.375,923 1.782,924 4.473,925 0.99,926 42.356,927 47.445,928 0.295,929 0.655,930 0.808,931 0.873,932 0.882,933 0.882,934 4.766,935 1.142,936 5.694,937 4.195,938 4.317,939 4.718,940 2.409,941 6.506,942 4.236,943 5.949,944 1.098,945 7.253,946 2.549,947 3.892,948 4.494,949 0.81,950 7.361,951 3.753,952 7.252,953 0.618,954 8.91,955 2.451,956 5.916,957 6.805,958 2.778,959 10.47,960 5.745,961 8.591,962 0.508,963 10.624,964 1.372,965 6.347,966 7.41,967 1.554,968 12.158,969 6.113,970 9.963,971 0.274,972 12.374,973 1.232,974 7.807,975 9.199,976 3.292,977 14.76,978 7.54,979 11.358,980 -0.102,981 14.149,982 0.653,983 8.618,984 10.176,985 2.257,986 16.798,987 8.288,988 12.77,989 -0.539,990 15.942,991 -0.294,992 9.864,993 11.753,994 3.873,995 19.225,996 9.497,997 3.151,998 -0.865,999 17.749,1000 -1.434,1001 10.847,1002 12.913,1003 2.951,1004 21.419,1005 10.419,1006 2.933,1007 10.43,1008 19.567,1009 -2.446,1010 12.013,1011 14.39,1012 4.489,1013 23.781,1014 11.542,1015 2.552,1016 9.258,1017 21.395,1018 3.988,1019 13.072,1020 15.645,1021 3.641,1022 26.045,1023 12.544,1024 2.313,1025 7.565,1026 23.229,1027 3.774,1028 14.209,1029 17.071,1030 5.126,1031 28.385,1032 13.635,1033 1.906,1034 6.856,1035 25.071,1036 2.993,1037 15.304,1038 18.376,1039 4.328,1040 30.683,1041 14.676,1042 1.567,1043 5.828,1044 26.918,1045 2.648,1046 16.432,1047 19.776,1048 5.774,1049 33.015,1050 15.757,1051 1.534,1052 4.53,1053 28.769,1054 2.301,1055 17.545,1056 21.109,1057 5.012,1058 35.331,1059 16.817,1060 5768,1061 9171,1062 17.8,1063 27.472,1064 39.7,1065 40.843,1066 39.536,1067 39.279,1068 39.192,1069 47.316,1070 9.603,1071 113.842,1072 37.648,1073 5.435,1074 5.815,1075 6.232,1076 5.173,1077 5.151,1078 6.988,1079 2.791,1080 17.512,1081 5.002,1082 8.092,1083 1.527,1084 1.571,1085 1.521,1086 1.511,1087 1.507,1088 1.82,1089 0.369,1090 4.379,1091 1.448,1092 4.007,1093 4.036,1094 3.966,1095 3.901,1096 7.428,1097 3.911,1098 3.886,1099 3.93,1100 3.809,1101 3.754,1102 5.013,1103 3.75,1104 3.759,1105 3.801,1106 3.67,1107 3.573,1108 4.75,1109 3.603,1110 3.341,1111 3.376,1112 3.243,1113 3.108,1114 4.373,1115 3.135,1116 3.092,1117 3.192,1118 2.956,1119 2.879,1120 4.241,1121 2.883,1122 3.075,1123 3.146,1124 2.891,1125 2.816,1126 3.987,1127 2.82,1128 2.869,1129 2.979,1130 2.707,1131 2.691,1132 3.855,1133 2.685,1134 2.849,1135 2.902,1136 2.583,1137 2.671,1138 3.721,1139 2.635,1140 0.171,1141 0.147,1142 0.255,1143 0.158,1144 0.121,1145 4.454,1146 0.153,1147 3.815,1148 0.054,1149 6.618,1150 0.401,1151 4.102,1152 0.115,1153 3.151,1154 3.988,1155 1.399,1156 10.43,1157 3.002,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.211,1163 1.972,1164 1.637,1165 1.57,1166 1.86,1167 1.859,1168 1.21,1169 1.854,1170 1.577,1171 1.507,1172 1.849,1173 1.751,1174 1.098,1175 1.793,1176 1.464,1177 1.439,1178 1.669,1179 1.689,1180 0.74,1181 1.681,1182 1.35,1183 1.277,1184 1.498,1185 1.553,1186 0.585,1187 1.539,1188 1.156,1189 1.123,1190 1.432,1191 1.513,1192 0.558,1193 1.48,1194 0.865,1195 0.783,1196 1.141,1197 1.165,1198 0.205,1199 1.178,1200 0.794,1201 0.737,1202 1.08,1203 0.991,1204 0.153,1205 1.021,1206 3.97,1208 5.303,1209 3.434,1210 6.808,1211 5.733,1212 8.391,1213 7.751,1214 10.02,1216 1.754,1222 5,1223 3.385,1224 10.664,1226 0.425,1227 1.58,1231 26.423,1232 66.77,1233 148.419,1234 182.968,1235 197.722,1236 199.722,1237 199.722,1238 31.782,1239 7.191,1240 65.38,1241 65.38,1242 21,1243 12.419,1244 3.322,1245 2.807,1246 31.928,1247 79,1248 68,1249 0.196,1250 159.074,1251 285.85,1252 379.9,1253 12474,1255 15.811,1256 0.687,1257 0.567,1258 15.811,1259 13.041,1260 11.204,1261 0.431,1262 0.306,1263 7.808,1264 10.67,1265 7.653,1266 6.327,1267 11.204,1268 7.952,1269 10.226,1270 0.276,1271 0.164,1272 10.226,1273 6.068,1274 9.067,1275 0.181,1276 0.089,1277 9.067,1278 4.456,1279 7.415,1280 0.114,1281 0.048,1282 7.415,1283 3.142,1284 5.218,1285 0.073,1286 0.023,1287 5.218,1288 1.661,1289 0.306,1290 71.053,1291 0.237,1292 22.645,1293 0.54,1294 126,1295 380.83,1296 142.21,1297 356.466,1298 492.47,1299 336,1300 150,1301 368.503,1302 167.155,1303 369.212,1304 547.3,1305 346,1306 5.432} {0 CHEMBL1802851,1 1.707,2 9.238,3 0.626,4 0.392,5 75.637,6 8.037,7 0.261,8 3.73,9 3.829,10 3.349,11 3.155,12 4.911,13 3.195,14 4.254,15 4.405,16 3.702,17 3.517,18 5.446,19 3.544,20 4.352,21 4.531,22 3.66,23 3.568,24 5.582,25 3.559,26 4.371,27 4.572,28 3.474,29 3.506,30 5.512,31 3.469,32 4.254,33 4.46,34 3.425,35 3.425,36 5.408,37 3.382,38 4.249,39 4.453,40 3.402,41 3.34,42 5.446,43 3.318,44 4.159,45 4.349,46 3.313,47 3.198,48 5.536,49 3.176,50 4.018,51 4.244,52 3.084,53 3.063,54 5.135,55 3.001,56 0.141,57 0.532,58 6.758,59 2.981,60 12.39,61 3.573,62 0.539,63 0.812,64 14.086,65 4.772,66 31.165,67 5.846,68 0.444,69 0.871,70 15.86,71 5.405,72 37.56,73 7.216,74 0.542,75 0.851,76 17.17,77 5.048,78 49.128,79 6.805,80 0.419,81 0.765,82 15.052,83 4.936,84 33.672,85 6.848,86 0.438,87 0.709,88 15.543,89 4.818,90 43.478,91 6.514,92 0.612,93 0.614,94 14.529,95 4.294,96 70.613,97 5.776,98 0.432,99 0.533,100 12.932,101 4.028,102 36.693,103 5.739,104 13,105 32,106 0.313,107 0.717,108 0.848,109 0.882,110 0.892,111 0.892,112 3.103,113 0.85,114 -2.49,115 -2.52,116 -2.46,119 38.9,123 1,124 2,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 4,161 3,162 3,164 2,168 4,171 1,172 7,175 1,178 2,182 7,185 1,187 1,194 6,197 2,199 1,205 1,206 2,211 2,216 3,220 1,222 2,228 2,232 1,234 1,245 1,247 2,255 554,256 14.301,257 14.301,258 14.301,259 14.301,260 14.301,261 13.119,262 17.895,263 8.515,264 14.689,265 11.305,266 11.305,267 11.305,268 11.305,269 11.305,270 9.27,271 20.285,272 3.999,273 11.93,274 3.463,275 1.258,276 0.542,277 0.354,278 0.299,279 0.299,280 3.781,284 1,285 417,286 2.739,288 107.28,289 53.499,291 85.605,295 1.51,296 26.162,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 47.5,307 194,308 4.451,309 3.813,310 6.612,311 4.094,312 3.142,313 3.987,314 1.399,315 10.397,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.686,327 2.875,328 5.555,329 3.319,330 2.355,331 2.981,332 1.005,333 7.247,334 2.26,335 3.363,336 2.478,337 5.172,338 2.978,339 2.011,340 2.524,341 0.532,342 6.093,343 1.927,344 2.972,345 2.009,346 4.683,347 2.557,348 1.622,349 2.029,350 0.27,351 4.625,352 1.513,353 2.885,354 1.983,355 4.362,356 2.477,357 1.534,358 1.985,359 0.204,360 4.197,361 1.437,362 2.473,363 1.862,364 3.509,365 2.289,366 1.347,367 1.45,369 2.608,370 1.257,371 2.202,372 1.675,373 3.451,374 2.092,375 1.098,376 1.181,378 2.451,379 1.09,380 1.883,381 1.329,382 3.145,383 1.471,384 0.514,385 0.623,386 1.233,387 0.485,388 1.654,389 0.826,390 2.956,391 1.34,392 0.401,393 0.453,394 0.773,395 0.369,396 1.398,397 0.743,398 2.643,399 1.037,400 0.105,401 0.136,402 0.223,403 0.098,404 0.894,405 -0.004,406 2.366,407 0.615,408 -0.342,409 -0.383,411 -0.785,412 -0.322,413 0.59,414 -0.342,415 2.181,416 0.179,417 -0.769,418 -0.974,420 -1.793,421 -0.726,422 0.419,423 -0.581,424 1.949,425 0.072,426 -0.911,427 -1.175,429 -2.504,430 -0.889,431 0.213,432 -0.593,433 1.643,434 -0.134,435 -1.129,436 -1.255,438 -2.537,439 -1.069,440 9.533,441 0.454,442 0.486,443 0.023,444 26.25,445 1.25,446 11.5,447 0.548,448 14.75,449 0.702,450 14.297,451 0.681,452 23.467,453 0.652,454 18.924,455 0.901,456 5.6,457 0.267,458 4.585,459 0.218,460 0.122,462 0.357,466 0.918,467 1.526,468 0.728,469 1.218,470 0.776,471 0.966,472 1.003,473 0.821,474 0.853,475 0.782,476 0.789,477 0.772,478 0.867,479 1.178,480 0.892,481 1.068,482 0.825,483 0.996,484 1.134,485 0.996,486 1.201,487 0.955,488 1.195,489 1.051,490 0.775,491 1.058,492 0.962,493 1.05,494 0.833,495 1.046,496 1.029,497 1.089,498 0.959,499 1.065,500 1.36,501 1.001,502 0.942,503 1.004,504 1.006,505 1.011,506 1.309,507 1.03,508 0.647,509 0.955,510 0.863,511 1.048,512 0.831,513 1.025,514 4,515 0.041,516 2.444,517 1.896,518 0.898,519 0.66,520 0.416,521 0.24,522 0.183,523 0.075,524 4411,525 14257,526 2.074,527 41.7,529 11,530 2,532 2,536 1.63,537 1.938,538 3.196,539 0.425,541 1,543 1,545 61.456,546 1.707,547 3.912,548 4.628,549 4.816,550 4.871,551 4.871,552 2.725,553 4.297,554 4.361,555 3.326,556 698.511,557 7.467,558 7400.04,560 1,563 186.117,564 1.418,565 4.322,566 0.174,567 0.007,568 0.076,569 0.063,570 0.037,571 0.029,572 0.019,573 0.013,574 0.012,575 0.008,576 0.438,577 0.5,578 1,579 1.238,580 95.053,581 -0.129,582 -0.307,583 0.038,584 -0.133,585 -0.124,586 -0.023,587 0.004,588 0.298,589 0.044,590 0.2,591 -0.048,592 0.141,593 -0.03,594 -0.114,595 0.009,596 -0.068,597 0.038,598 -0.028,599 -0.228,600 0.051,601 -0.261,602 -0.013,603 -0.191,604 -0.113,605 -0.001,606 -0.024,607 -0.038,608 -0.066,609 0.018,610 -0.059,611 -0.087,612 -0.123,613 0.014,614 -0.095,615 -0.102,616 -0.023,617 0.175,618 -0.069,620 -0.058,621 0.122,622 -0.079,623 0.24,624 -0.042,625 0.14,626 -0.075,627 0.072,628 -0.01,629 1.867,630 5.102,631 0.667,632 16.15,633 1.025,634 1.134,635 1.261,636 1.591,637 0.65,638 3.178,639 3.497,640 3.784,641 4.025,642 4.143,643 4.19,644 4.29,645 4.394,646 4.369,647 4.443,648 5.453,649 0.641,650 289.32,651 3.178,652 4.71,653 5.565,654 6.441,655 7.315,656 8.198,657 9.079,658 9.964,659 10.847,660 11.734,661 8.3,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 36,700 9,701 1,702 23,704 38,705 14,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 1,721 10,722 4,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 7,738 2,739 7,743 3,747 0.667,748 4,749 1,759 2,760 1,762 1,767 1,770 2,773 1,775 1,777 2,781 1,785 21,788 1,789 3,790 1,791 2,794 1,801 11.1,802 1,804 1,806 2,808 10.833,809 6.683,810 4.694,811 1.965,812 2.176,813 1.321,814 0.94,815 3.921,816 8.953,817 3.401,818 3.942,819 4.503,820 5.003,821 5.474,822 5.738,823 6.118,824 6.504,825 6.757,826 6.969,827 1,828 30,829 7.737,831 3.28,832 7.976,833 14.405,835 11.476,837 2.476,838 52,842 153.024,843 78.09,844 37.921,846 89.828,849 78.09,850 242.852,851 37.921,852 8.396,853 11.88,854 98.599,855 32.606,856 52.458,857 25.441,858 129.482,860 153.024,861 116.011,862 89.828,865 153.024,866 47.145,867 42.683,869 46.677,870 57.101,871 12.233,873 153.024,874 127.749,875 78.09,878 153.024,879 31.789,880 49.426,881 18.011,882 106.614,883 153.024,884 127.749,885 78.09,887 0.576,888 0.344,889 0.183,890 0.094,891 16,892 7,893 0.105,894 4,895 1,896 1.143,897 3.381,898 159.103,899 0.143,900 14,901 92.239,904 14.071,905 5.852,906 2.784,908 127.749,909 5.437,914 2.162,916 60.694,917 358.863,918 29,922 12.102,923 1.689,924 4.236,925 0.561,926 36.916,927 40.824,928 0.33,929 0.757,930 0.895,931 0.931,932 0.942,933 0.942,934 4.649,935 1.098,936 5.549,937 2.608,938 4.174,939 4.625,940 2.409,941 6.365,942 4.076,943 5.841,944 0.514,945 7.114,946 2.451,947 3.761,948 4.425,949 0.81,950 7.252,951 3.617,952 7.149,953 0.401,954 8.78,955 1.233,956 5.771,957 6.748,958 2.778,959 10.362,960 5.578,961 8.497,962 0.105,963 10.504,964 0.773,965 6.217,966 7.366,967 1.554,968 12.077,969 5.969,970 9.878,971 -0.342,972 12.264,973 0.223,974 7.677,975 9.168,976 3.292,977 14.684,978 7.39,979 11.281,980 -0.769,981 14.049,982 -0.785,983 8.506,984 10.152,985 2.257,986 16.74,987 8.16,988 12.702,989 -0.911,990 15.852,991 -1.793,992 9.757,993 11.736,994 3.873,995 19.169,996 9.373,997 3.142,998 -1.129,999 17.668,1000 -2.504,1001 10.754,1002 12.9,1003 2.951,1004 21.372,1005 10.312,1006 2.932,1007 10.397,1008 19.495,1009 -2.537,1010 11.924,1011 14.38,1012 4.489,1013 23.735,1014 11.442,1015 2.355,1016 9.256,1017 21.33,1018 3.987,1019 12.994,1020 15.636,1021 3.641,1022 26.003,1023 12.457,1024 2.011,1025 7.247,1026 23.172,1027 3.772,1028 14.135,1029 17.064,1030 5.126,1031 28.342,1032 13.554,1033 1.622,1034 6.093,1035 25.019,1036 2.981,1037 15.236,1038 18.37,1039 4.328,1040 30.64,1041 14.604,1042 1.534,1043 4.625,1044 26.871,1045 2.524,1046 16.367,1047 19.771,1048 5.774,1049 32.971,1050 15.69,1051 1.347,1052 4.197,1053 28.727,1054 2.029,1055 17.484,1056 21.104,1057 5.012,1058 35.285,1059 16.756,1060 4324,1061 7863,1062 15.315,1063 23.404,1064 34.739,1065 36.23,1066 35.628,1067 34.126,1068 34.124,1069 42.24,1070 9.603,1071 98.205,1072 32.43,1073 5.357,1074 5.813,1075 6.473,1076 5.137,1077 5.142,1078 6.987,1079 2.791,1080 17.431,1081 4.997,1082 9.739,1083 1.51,1084 1.575,1085 1.549,1086 1.484,1087 1.484,1088 1.837,1089 0.418,1090 4.27,1091 1.41,1092 3.998,1093 4.019,1094 3.961,1095 3.897,1096 7.428,1097 3.907,1098 3.82,1099 3.859,1100 3.784,1101 3.609,1102 6.456,1103 3.648,1104 3.523,1105 3.582,1106 3.38,1107 3.3,1108 5.013,1109 3.308,1110 3.33,1111 3.368,1112 3.223,1113 3.087,1114 4.745,1115 3.114,1116 3.092,1117 3.174,1118 2.909,1119 2.876,1120 4.356,1121 2.875,1122 2.937,1123 3.009,1124 2.815,1125 2.704,1126 4.002,1127 2.696,1128 2.841,1129 2.886,1130 2.707,1131 2.591,1132 3.923,1133 2.624,1134 2.656,1135 2.702,1136 2.503,1137 2.433,1138 3.854,1139 2.444,1140 0.194,1141 0.166,1142 0.287,1143 0.178,1144 0.137,1145 4.451,1146 0.173,1147 3.813,1148 0.061,1149 6.612,1150 0.452,1151 4.094,1152 0.13,1153 3.142,1154 3.987,1155 1.399,1156 10.397,1157 2.997,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.971,1164 1.57,1165 1.496,1166 1.801,1167 1.851,1168 1.009,1169 1.836,1170 1.462,1171 1.438,1172 1.662,1173 1.686,1174 0.735,1175 1.675,1176 1.32,1177 1.248,1178 1.495,1179 1.554,1180 0.585,1181 1.536,1182 1.156,1183 1.123,1184 1.432,1185 1.514,1186 0.556,1187 1.48,1188 0.871,1189 0.791,1190 1.168,1191 1.211,1192 0.204,1193 1.211,1194 0.794,1195 0.739,1196 1.081,1197 0.993,1198 0.153,1199 1.021,1200 0.729,1201 0.695,1202 0.871,1203 0.982,1205 0.948,1206 3.85,1208 5.165,1209 3.045,1210 6.666,1211 5.416,1212 8.253,1213 7.496,1214 9.888,1216 1.631,1221 8.808,1222 0.528,1223 2.888,1224 10.547,1227 1.411,1231 23.084,1232 61.456,1233 140.833,1234 166.608,1235 173.362,1236 175.362,1237 175.362,1238 31.791,1239 6.777,1240 85.61,1241 85.61,1242 16,1243 12.266,1244 3.322,1245 2.807,1246 32.258,1247 68,1248 76,1249 0.236,1250 141.687,1251 255.1,1252 337.475,1253 7076,1255 14.82,1256 0.706,1257 0.547,1258 14.82,1259 11.497,1260 10.186,1261 0.443,1262 0.283,1263 6.349,1264 9.558,1265 6.226,1266 5.144,1267 10.186,1268 6.517,1269 8.982,1270 0.281,1271 0.144,1272 8.982,1273 4.592,1274 7.885,1275 0.183,1276 0.074,1277 7.885,1278 3.163,1279 6.277,1280 0.114,1281 0.038,1282 6.277,1283 2.086,1284 4.691,1285 0.076,1286 0.021,1287 4.691,1288 1.28,1289 0.366,1290 65.701,1291 0.256,1292 20.862,1293 0.653,1294 110,1295 396.979,1296 127.316,1297 366.008,1298 494.17,1299 344,1300 130,1301 355.737,1302 147.874,1303 355.404,1304 525.16,1305 332,1306 5.155} {0 CHEMBL1802852,1 1.674,2 9.909,3 1.035,4 1.071,5 80.388,6 7.778,7 0.25,8 3.797,9 3.9,10 3.399,11 3.214,12 4.934,13 3.247,14 4.342,15 4.504,16 3.733,17 3.563,18 5.472,19 3.586,20 4.39,21 4.562,22 3.694,23 3.629,24 5.57,25 3.612,26 4.471,27 4.685,28 3.52,29 3.589,30 5.545,31 3.534,32 4.371,33 4.6,34 3.467,35 3.502,36 5.424,37 3.446,38 4.326,39 4.536,40 3.479,41 3.42,42 5.445,43 3.392,44 4.259,45 4.456,46 3.427,47 3.324,48 5.497,49 3.309,50 4.165,51 4.374,52 3.217,53 3.275,54 5.254,55 3.192,56 0.105,57 0.567,58 7.679,59 3.289,60 6.974,61 4.122,62 0.603,63 0.853,64 16.617,65 5.166,66 29.438,67 6.515,68 0.4,69 0.917,70 16.586,71 5.741,72 29.793,73 7.754,74 0.527,75 0.93,76 19.687,77 5.763,78 45.449,79 8.171,80 0.45,81 0.843,82 17.931,83 5.399,84 32.896,85 7.886,86 0.403,87 0.772,88 17.092,89 5.267,90 37.594,91 7.387,92 0.649,93 0.707,94 16.282,95 4.379,96 52.043,97 6.106,98 0.389,99 0.647,100 14.214,101 4.954,102 28.253,103 6.957,104 14,105 33,106 0.301,107 0.676,108 0.84,109 0.871,110 0.88,111 0.88,112 3.146,113 0.862,114 -2.75,115 -2.76,116 -2.68,119 38.5,123 2,124 2,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 4,161 3,162 3,164 2,168 4,171 1,172 7,174 1,178 2,182 7,185 1,187 1,193 2,194 6,199 1,205 1,206 2,211 2,216 4,217 1,222 1,228 2,229 1,232 1,242 2,245 1,255 662,256 15.008,257 15.008,258 15.008,259 15.008,260 15.008,261 13.826,262 20.052,263 9.015,264 15.552,265 11.805,266 11.805,267 11.805,268 11.805,269 11.805,270 9.77,271 22.409,272 4.253,273 12.568,274 3.611,275 1.533,276 0.622,277 0.449,278 0.398,279 0.398,280 3.826,284 1,285 468,286 2.915,288 115.088,289 57.554,291 91.988,295 1.736,296 24.312,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 49.5,307 218,308 4.451,309 3.813,310 6.612,311 4.094,312 3.142,313 3.987,314 1.399,315 10.397,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.686,327 2.877,328 5.555,329 3.319,330 2.355,331 2.981,332 1.005,333 7.247,334 2.26,335 3.364,336 2.478,337 5.172,338 2.983,339 2.019,340 2.525,341 0.86,342 6.094,343 1.93,344 2.972,345 2.213,346 4.684,347 2.584,348 1.662,349 2.029,350 0.532,351 4.629,352 1.529,353 2.885,354 2.007,355 4.362,356 2.477,357 1.534,358 1.985,359 0.27,360 4.197,361 1.438,362 2.638,363 1.982,364 3.646,365 2.415,366 1.497,367 1.626,368 0.204,369 3.064,370 1.36,371 2.202,372 1.676,373 3.454,374 2.092,375 1.099,376 1.181,378 2.452,379 1.09,380 1.909,381 1.504,382 3.165,383 1.643,384 0.752,385 0.798,386 1.367,387 0.661,388 1.799,389 1.054,390 3,391 1.448,392 0.504,393 0.608,394 1.208,395 0.471,396 1.631,397 0.786,398 2.886,399 1.197,400 0.219,401 0.286,402 0.488,403 0.212,404 1.016,405 0.269,406 2.368,407 0.784,408 -0.154,409 -0.172,411 -0.327,412 -0.142,413 0.761,414 -0.052,415 2.267,416 0.442,417 -0.506,418 -0.576,420 -1.066,421 -0.47,422 0.534,423 -0.407,424 2.105,425 0.118,426 -0.84,427 -1.067,429 -2.134,430 -0.787,431 0.364,432 -0.582,433 1.755,434 0.023,435 -0.941,436 -1.193,438 -2.511,439 -0.912,440 10.033,441 0.456,442 0.486,443 0.022,444 27,445 1.227,446 11.5,447 0.523,448 15.5,449 0.705,450 15.513,451 0.705,452 24.767,453 0.635,454 19.722,455 0.896,456 5.839,457 0.265,458 4.847,459 0.22,460 0.133,462 0.339,466 0.874,467 1.614,468 0.725,469 1.331,470 0.654,471 1.039,472 1.19,473 0.738,474 0.885,475 0.681,476 0.803,477 0.699,478 0.888,479 1.245,480 0.942,481 1.14,482 0.86,483 1.065,484 1.068,485 1.05,486 1.142,487 0.99,488 1.316,489 1.054,490 0.788,491 0.96,492 0.937,493 0.936,494 0.938,495 0.95,496 0.983,497 1.18,498 0.886,499 1.079,500 1.468,501 0.979,502 1.053,503 0.871,504 1.046,505 0.842,506 1.371,507 0.91,508 0.583,509 1.177,510 0.978,511 1.321,512 0.748,513 1.269,514 4,515 0.041,516 2.444,517 1.896,518 0.898,519 0.66,520 0.456,521 0.312,522 0.183,523 0.075,524 5108,525 15464,526 2.07,527 43.6,529 14,530 2,532 1,536 1.643,537 1.941,538 3.281,539 -0.22,540 1,541 1,543 1,545 65.286,546 1.674,547 3.753,548 4.663,549 4.836,550 4.888,551 4.888,552 2.799,553 4.369,554 4.426,555 3.43,556 792.337,557 7.596,558 8781.42,559 1,560 1,563 206.131,564 1.395,565 4.392,566 0.167,567 0.005,568 0.074,569 0.061,570 0.036,571 0.028,572 0.019,573 0.014,574 0.011,575 0.007,576 0.421,577 0.33,578 1,579 1.405,580 101.903,581 -0.078,582 -0.381,583 0.071,584 -0.225,585 -0.066,586 -0.067,587 -0.041,588 0.351,589 0.067,590 0.288,591 -0.022,592 0.214,593 -0.035,594 -0.147,595 -0.049,596 -0.122,597 0.071,598 -0.096,599 -0.176,600 -0.016,601 -0.191,602 -0.039,603 -0.168,604 -0.1,605 -0.005,606 0.067,607 0.012,608 0.023,609 -0.007,610 0.03,611 -0.044,612 -0.207,613 0.085,614 -0.102,615 -0.076,616 0.002,617 0.097,618 0.136,619 -0.046,620 0.075,621 0.046,622 0.002,623 0.231,624 -0.204,625 -0.039,626 -0.306,627 0.144,628 -0.256,629 1.822,630 5.202,631 0.636,632 18.744,633 1.021,634 1.134,635 1.517,636 2.302,637 0.645,638 3.219,639 3.526,640 3.807,641 4.043,642 4.159,643 4.22,644 4.331,645 4.443,646 4.431,647 4.489,648 5.809,649 0.631,650 303.35,651 3.219,652 4.745,653 5.595,654 6.466,655 7.336,656 8.216,657 9.094,658 9.978,659 10.86,660 11.745,661 7.7,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 39,700 9,701 1,702 24,704 41,705 15,706 6,707 3,708 3,709 4,710 3,711 4,714 1,721 10,722 5,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 17,737 7,738 1,739 7,743 3,747 0.667,748 4,759 2,760 1,762 1,767 1,770 2,773 1,776 1,777 2,781 2,785 22,789 3,790 1,791 3,794 1,801 10.3,804 1,805 1,806 2,808 11.333,809 7.65,810 4.944,811 2.115,812 2.173,813 1.317,814 0.955,815 4.427,816 9.033,817 3.434,818 3.961,819 4.514,820 5.01,821 5.478,822 5.747,823 6.126,824 6.518,825 6.772,826 6.984,827 0.857,828 31,829 8.106,831 3.374,832 7.841,833 15.238,835 11.957,837 2.341,838 51.5,842 188.338,843 93.566,844 37.921,846 58.145,849 93.566,850 246.482,851 37.921,852 19.279,853 16.473,854 55.916,855 43.606,856 52.458,857 25.441,858 164.795,860 188.338,861 131.486,862 58.145,865 188.338,866 47.145,867 11,869 51.269,870 67.984,871 12.233,873 188.338,874 96.065,875 93.566,878 188.338,879 36.381,880 60.309,881 18.011,882 74.93,883 188.338,884 96.065,885 93.566,887 0.573,888 0.339,889 0.178,890 0.089,891 16,892 7,893 0.122,894 5,895 1,896 1.143,897 3.5,898 167.687,899 0.143,900 14,901 98.107,904 15.03,905 6.48,906 3.167,908 96.065,909 5.507,914 2.223,916 18.011,917 377.968,918 30,922 12.202,923 1.728,924 4.326,925 0.743,926 39.8,927 44.239,928 0.317,929 0.71,930 0.882,931 0.915,932 0.925,933 0.925,934 4.677,935 1.099,936 5.572,937 3.064,938 4.205,939 4.644,940 2.533,941 6.378,942 4.098,943 5.861,944 0.752,945 7.13,946 2.452,947 3.761,948 4.425,949 0.81,950 7.252,951 3.617,952 7.164,953 0.504,954 8.79,955 1.367,956 5.79,957 6.755,958 2.844,959 10.365,960 5.589,961 8.507,962 0.219,963 10.51,964 1.208,965 6.217,966 7.366,967 1.554,968 12.077,969 5.969,970 9.885,971 -0.154,972 12.268,973 0.488,974 7.687,975 9.17,976 3.322,977 14.685,978 7.395,979 11.286,980 -0.506,981 14.052,982 -0.327,983 8.506,984 10.152,985 2.257,986 16.74,987 8.16,988 12.705,989 -0.84,990 15.854,991 -1.066,992 9.761,993 11.737,994 3.885,995 19.17,996 9.374,997 3.142,998 -0.941,999 17.669,1000 -2.134,1001 10.754,1002 12.9,1003 2.951,1004 21.372,1005 10.312,1006 2.932,1007 10.397,1008 19.496,1009 -2.511,1010 11.926,1011 14.38,1012 4.494,1013 23.735,1014 11.442,1015 2.355,1016 9.256,1017 21.33,1018 3.987,1019 12.994,1020 15.636,1021 3.641,1022 26.003,1023 12.457,1024 2.019,1025 7.247,1026 23.172,1027 3.772,1028 14.136,1029 17.064,1030 5.128,1031 28.342,1032 13.555,1033 1.662,1034 6.094,1035 25.019,1036 2.981,1037 15.236,1038 18.37,1039 4.328,1040 30.64,1041 14.604,1042 1.534,1043 4.629,1044 26.871,1045 2.525,1046 16.368,1047 19.771,1048 5.775,1049 32.971,1050 15.69,1051 1.497,1052 4.197,1053 28.727,1054 2.029,1055 17.484,1056 21.104,1057 5.012,1058 35.285,1059 16.756,1060 5009,1061 8824,1062 16.008,1063 25.165,1064 36.119,1065 37.434,1066 36.961,1067 35.459,1068 35.429,1069 43.556,1070 11.323,1071 100.797,1072 33.46,1073 5.377,1074 5.813,1075 6.521,1076 5.138,1077 5.142,1078 6.987,1079 2.791,1080 17.431,1081 4.997,1082 10.121,1083 1.505,1084 1.56,1085 1.54,1086 1.477,1087 1.476,1088 1.815,1089 0.472,1090 4.2,1091 1.394,1092 3.999,1093 4.02,1094 3.961,1095 3.897,1096 7.428,1097 3.907,1098 3.821,1099 3.86,1100 3.785,1101 3.61,1102 5.013,1103 3.649,1104 3.563,1105 3.615,1106 3.422,1107 3.329,1108 4.761,1109 3.341,1110 3.337,1111 3.373,1112 3.234,1113 3.094,1114 4.615,1115 3.122,1116 3.163,1117 3.257,1118 2.978,1119 2.881,1120 4.352,1121 2.886,1122 3.091,1123 3.17,1124 2.898,1125 2.863,1126 3.997,1127 2.857,1128 2.859,1129 2.931,1130 2.707,1131 2.698,1132 3.904,1133 2.689,1134 2.786,1135 2.849,1136 2.645,1137 2.537,1138 3.854,1139 2.542,1140 0.185,1141 0.159,1142 0.276,1143 0.171,1144 0.131,1145 4.451,1146 0.166,1147 3.813,1148 0.058,1149 6.612,1150 0.433,1151 4.094,1152 0.125,1153 3.142,1154 3.987,1155 1.399,1156 10.397,1157 2.997,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.971,1164 1.583,1165 1.513,1166 1.818,1167 1.863,1168 1.037,1169 1.85,1170 1.463,1171 1.438,1172 1.67,1173 1.701,1174 0.737,1175 1.688,1176 1.349,1177 1.28,1178 1.547,1179 1.591,1180 0.586,1181 1.569,1182 1.157,1183 1.124,1184 1.481,1185 1.517,1186 0.571,1187 1.485,1188 1.116,1189 1.017,1190 1.431,1191 1.412,1192 0.549,1193 1.442,1194 0.824,1195 0.758,1196 1.124,1197 1.123,1198 0.206,1199 1.141,1200 0.794,1201 0.724,1202 1.08,1203 0.99,1204 0.153,1205 1.021,1206 3.892,1208 5.198,1209 3.045,1210 6.691,1211 5.416,1212 8.271,1213 7.496,1214 9.9,1216 3.305,1222 1.356,1223 3.065,1224 15.563,1227 1.481,1231 24.611,1232 65.286,1233 146.356,1234 181.866,1235 188.621,1236 190.621,1237 190.621,1238 31.526,1239 6.86,1240 74.61,1241 74.61,1242 16,1243 12.278,1244 3.322,1245 2.807,1246 34.58,1247 75,1248 90,1249 0.226,1250 151.279,1251 272.4,1252 360.88,1253 7986,1255 15.527,1256 0.706,1257 0.566,1258 15.527,1259 12.458,1260 10.686,1261 0.445,1262 0.287,1263 6.704,1264 9.979,1265 6.524,1266 5.423,1267 10.686,1268 6.897,1269 9.336,1270 0.283,1271 0.147,1272 9.336,1273 4.861,1274 8.135,1275 0.185,1276 0.076,1277 8.135,1278 3.357,1279 6.467,1280 0.115,1281 0.039,1282 6.467,1283 2.183,1284 4.759,1285 0.076,1286 0.021,1287 4.759,1288 1.326,1289 0.354,1290 69.201,1291 0.25,1292 21.879,1293 0.618,1294 114,1295 412.565,1296 132.091,1297 377.853,1298 509.93,1299 356,1300 134,1301 364.949,1302 152.871,1303 366.92,1304 539.1,1305 340,1306 6.244} {0 CHEMBL1802853,1 1.674,2 9.909,3 0.689,4 0.474,5 80.503,6 7.778,7 0.25,8 3.797,9 3.9,10 3.389,11 3.228,12 4.949,13 3.256,14 4.331,15 4.49,16 3.735,17 3.594,18 5.485,19 3.603,20 4.453,21 4.649,22 3.693,23 3.647,24 5.611,25 3.621,26 4.479,27 4.694,28 3.523,29 3.581,30 5.601,31 3.53,32 4.343,33 4.562,34 3.453,35 3.5,36 5.411,37 3.448,38 4.333,39 4.545,40 3.479,41 3.447,42 5.504,43 3.411,44 4.267,45 4.461,46 3.435,47 3.364,48 5.489,49 3.332,50 4.241,51 4.466,52 3.234,53 3.237,54 5.51,55 3.166,56 0.122,57 0.571,58 7.749,59 3.304,60 11.728,61 4.123,62 0.526,63 0.875,64 15.817,65 5.344,66 31.427,67 6.83,68 0.403,69 0.951,70 18.436,71 6.106,72 38.81,73 8.496,74 0.602,75 0.928,76 20.117,77 5.597,78 56.3,79 7.957,80 0.368,81 0.836,82 17.068,83 5.341,84 33.992,85 7.655,86 0.494,87 0.793,88 17.223,89 5.128,90 46.234,91 7.276,92 0.471,93 0.721,94 15.748,95 4.965,96 42.589,97 6.861,98 0.601,99 0.637,100 16.699,101 4.981,102 70.729,103 7.053,104 14,105 33,106 0.301,107 0.699,108 0.852,109 0.883,110 0.893,111 0.893,112 3.146,113 0.877,114 -2.75,115 -2.76,116 -2.68,119 38.5,121 1,123 1,124 2,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 4,161 3,162 3,164 2,166 2,168 4,171 1,172 7,178 2,182 9,185 1,186 1,187 1,194 6,199 1,205 1,206 3,209 2,211 2,213 1,216 3,222 1,224 1,228 2,232 2,234 1,237 2,245 1,247 1,250 1,255 662,256 15.008,257 15.008,258 15.008,259 15.008,260 15.008,261 13.826,262 19.664,263 9.015,264 15.393,265 11.805,266 11.805,267 11.805,268 11.805,269 11.805,270 9.77,271 23.082,272 4.253,273 12.419,274 3.611,275 1.405,276 0.552,277 0.378,278 0.327,279 0.327,280 3.826,284 1,285 468,286 2.915,288 115.088,289 57.554,291 91.988,295 1.736,296 26.758,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 49.5,307 218,308 4.451,309 3.813,310 6.612,311 4.094,312 3.142,313 3.987,314 1.399,315 10.397,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.686,327 2.875,328 5.555,329 3.319,330 2.355,331 2.981,332 1.005,333 7.247,334 2.26,335 3.364,336 2.478,337 5.172,338 2.986,339 2.019,340 2.525,341 0.532,342 6.094,343 1.938,344 2.972,345 2.01,346 4.684,347 2.609,348 1.662,349 2.029,350 0.27,351 4.629,352 1.57,353 2.885,354 1.983,355 4.362,356 2.478,357 1.534,358 1.985,359 0.204,360 4.197,361 1.44,362 2.638,363 1.895,364 3.646,365 2.452,366 1.497,367 1.626,369 3.064,370 1.418,371 2.202,372 1.675,373 3.454,374 2.092,375 1.099,376 1.181,378 2.452,379 1.091,380 1.909,381 1.452,382 3.165,383 1.676,384 0.752,385 0.798,386 1.367,387 0.685,388 1.799,389 1.05,390 3,391 1.449,392 0.504,393 0.608,394 1.208,395 0.472,396 1.631,397 0.786,398 2.886,399 1.199,400 0.219,401 0.286,402 0.488,403 0.212,404 1.016,405 0.189,406 2.368,407 0.784,408 -0.154,409 -0.172,411 -0.327,412 -0.142,413 0.761,414 -0.096,415 2.267,416 0.446,417 -0.506,418 -0.576,420 -1.066,421 -0.476,422 0.534,423 -0.485,424 2.105,425 0.121,426 -0.84,427 -1.067,429 -2.134,430 -0.795,431 0.364,432 -0.583,433 1.755,434 0.029,435 -0.941,436 -1.193,438 -2.511,439 -0.918,440 10.033,441 0.456,442 0.486,443 0.022,444 26.75,445 1.216,446 11.5,447 0.523,448 15.25,449 0.693,450 15.89,451 0.722,452 24.767,453 0.635,454 19.346,455 0.879,456 5.606,457 0.255,458 5.08,459 0.231,460 0.116,462 0.339,466 0.906,467 1.526,468 0.754,469 1.234,470 0.766,471 0.995,472 0.977,473 0.866,474 0.872,475 0.841,476 0.769,477 0.828,478 0.868,479 1.216,480 0.876,481 1.086,482 0.815,483 0.994,484 1.122,485 0.931,486 1.171,487 0.888,488 1.206,489 0.998,490 0.884,491 1.115,492 0.967,493 1.024,494 0.896,495 1.002,496 0.918,497 0.981,498 0.957,499 0.945,500 1.228,501 0.951,502 0.874,503 1.15,504 0.973,505 1.176,506 1.221,507 1.11,508 0.793,509 0.915,510 0.95,511 1.011,512 1.101,513 1.028,514 4,515 0.041,516 2.444,517 1.896,518 0.898,519 0.66,520 0.456,521 0.312,522 0.183,523 0.075,524 5108,525 15768,526 2.07,527 43.6,529 11,530 2,532 2,535 2,536 1.643,537 1.941,538 3.281,539 0.393,541 1,543 1,545 65.286,546 1.674,547 3.88,548 4.734,549 4.907,550 4.958,551 4.958,552 2.799,553 4.369,554 4.426,555 3.43,556 792.337,557 7.596,558 8781.42,560 1,563 206.131,564 1.395,565 4.392,566 0.167,567 0.005,568 0.074,569 0.061,570 0.036,571 0.028,572 0.019,573 0.014,574 0.011,575 0.007,576 0.421,577 0.33,578 1,579 1.405,580 101.903,581 -0.112,582 -0.29,583 0.042,584 -0.125,585 -0.106,586 -0.022,587 0.028,588 0.258,589 0.04,590 0.157,591 -0.026,592 0.106,593 -0.045,594 -0.166,595 0.043,596 -0.081,597 0.033,598 -0.009,599 -0.174,600 0.106,601 -0.206,602 0.04,603 -0.156,604 -0.063,605 -0.113,606 -0.082,607 -0.033,608 -0.043,609 -0.056,610 -0.014,611 0.007,612 0.035,613 0.007,614 0.011,615 -0.044,616 0.009,617 0.113,618 -0.152,619 -0.012,620 -0.2,621 -0.01,622 -0.147,623 0.251,624 -0.025,625 0.069,626 -0.052,627 0.19,628 -0.042,629 1.843,630 5.184,631 0.636,632 18.744,633 1.021,634 1.134,635 1.517,636 2.302,637 0.645,638 3.219,639 3.526,640 3.807,641 4.043,642 4.159,643 4.22,644 4.331,645 4.443,646 4.431,647 4.489,648 5.809,649 0.631,650 303.35,651 3.219,652 4.745,653 5.595,654 6.466,655 7.336,656 8.216,657 9.094,658 9.978,659 10.86,660 11.745,661 7.7,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 39,700 9,701 1,702 24,704 41,705 15,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 1,719 1,721 10,722 5,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 17,737 7,738 2,739 7,743 3,747 0.667,748 4,749 1,759 2,760 1,762 1,767 1,770 2,773 1,775 1,777 2,781 1,785 22,788 1,789 4,790 1,791 2,794 1,801 10.3,802 1,804 1,806 2,808 11.333,809 7.183,810 4.944,811 2.215,812 2.173,813 1.317,814 0.937,815 4.427,816 9.033,817 3.434,818 3.961,819 4.514,820 5.01,821 5.478,822 5.747,823 6.126,824 6.518,825 6.772,826 6.984,827 0.857,828 31,829 8.117,831 3.423,832 7.932,833 15.221,835 12.143,837 2.432,838 53.5,842 176.567,843 80.625,844 37.921,846 89.828,849 80.625,850 266.395,851 37.921,852 8.396,853 14.415,854 98.599,855 32.606,856 52.458,857 25.441,858 153.024,860 176.567,861 118.545,862 89.828,865 153.024,866 70.687,867 42.683,869 49.211,870 57.101,871 12.233,873 176.567,874 127.749,875 80.625,878 176.567,879 34.323,880 49.426,881 18.011,882 106.614,883 176.567,884 127.749,885 80.625,887 0.573,888 0.339,889 0.178,890 0.089,891 16,892 7,893 0.122,894 5,895 1,896 1.143,897 3.5,898 167.687,899 0.143,900 14,901 98.107,904 15.03,905 6.48,906 3.167,908 127.749,909 5.47,914 2.187,916 60.694,917 384.94,918 30,922 12.184,923 1.71,924 4.3,925 0.669,926 39.8,927 44.239,928 0.317,929 0.734,930 0.896,931 0.928,932 0.938,933 0.938,934 4.677,935 1.099,936 5.572,937 3.064,938 4.205,939 4.644,940 2.409,941 6.378,942 4.11,943 5.861,944 0.752,945 7.13,946 2.452,947 3.761,948 4.425,949 0.81,950 7.252,951 3.617,952 7.164,953 0.504,954 8.79,955 1.367,956 5.79,957 6.755,958 2.778,959 10.365,960 5.601,961 8.507,962 0.219,963 10.51,964 1.208,965 6.217,966 7.366,967 1.554,968 12.077,969 5.969,970 9.885,971 -0.154,972 12.268,973 0.488,974 7.687,975 9.17,976 3.292,977 14.685,978 7.402,979 11.286,980 -0.506,981 14.052,982 -0.327,983 8.506,984 10.152,985 2.257,986 16.74,987 8.16,988 12.705,989 -0.84,990 15.854,991 -1.066,992 9.761,993 11.737,994 3.873,995 19.17,996 9.378,997 3.142,998 -0.941,999 17.669,1000 -2.134,1001 10.754,1002 12.9,1003 2.951,1004 21.372,1005 10.312,1006 2.932,1007 10.397,1008 19.496,1009 -2.511,1010 11.926,1011 14.38,1012 4.489,1013 23.735,1014 11.444,1015 2.355,1016 9.256,1017 21.33,1018 3.987,1019 12.994,1020 15.636,1021 3.641,1022 26.003,1023 12.457,1024 2.019,1025 7.247,1026 23.172,1027 3.772,1028 14.136,1029 17.064,1030 5.126,1031 28.342,1032 13.555,1033 1.662,1034 6.094,1035 25.019,1036 2.981,1037 15.236,1038 18.37,1039 4.328,1040 30.64,1041 14.604,1042 1.534,1043 4.629,1044 26.871,1045 2.525,1046 16.368,1047 19.771,1048 5.774,1049 32.971,1050 15.69,1051 1.497,1052 4.197,1053 28.727,1054 2.029,1055 17.484,1056 21.104,1057 5.012,1058 35.285,1059 16.756,1060 5009,1061 8900,1062 16.008,1063 25.165,1064 36.119,1065 37.475,1066 36.961,1067 35.482,1068 35.429,1069 43.556,1070 9.603,1071 100.797,1072 33.729,1073 5.377,1074 5.813,1075 6.521,1076 5.137,1077 5.142,1078 6.987,1079 2.791,1080 17.431,1081 4.997,1082 10.121,1083 1.505,1084 1.561,1085 1.54,1086 1.478,1087 1.476,1088 1.815,1089 0.4,1090 4.2,1091 1.405,1092 3.999,1093 4.021,1094 3.961,1095 3.897,1096 7.428,1097 3.908,1098 3.824,1099 3.864,1100 3.785,1101 3.616,1102 6.456,1103 3.652,1104 3.607,1105 3.666,1106 3.456,1107 3.425,1108 5.013,1109 3.422,1110 3.339,1111 3.374,1112 3.238,1113 3.102,1114 4.747,1115 3.129,1116 3.111,1117 3.203,1118 2.97,1119 2.878,1120 4.359,1121 2.881,1122 3.091,1123 3.159,1124 2.896,1125 2.795,1126 4.037,1127 2.811,1128 2.851,1129 2.906,1130 2.707,1131 2.689,1132 3.969,1133 2.685,1134 2.687,1135 2.752,1136 2.58,1137 2.463,1138 3.854,1139 2.453,1140 0.185,1141 0.159,1142 0.276,1143 0.171,1144 0.131,1145 4.451,1146 0.166,1147 3.813,1148 0.058,1149 6.612,1150 0.433,1151 4.094,1152 0.125,1153 3.142,1154 3.987,1155 1.399,1156 10.397,1157 2.997,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.173,1163 1.972,1164 1.644,1165 1.575,1166 1.891,1167 1.885,1168 1.098,1169 1.887,1170 1.465,1171 1.439,1172 1.676,1173 1.712,1174 0.745,1175 1.7,1176 1.381,1177 1.311,1178 1.51,1179 1.594,1180 0.589,1181 1.568,1182 1.157,1183 1.124,1184 1.434,1185 1.517,1186 0.567,1187 1.482,1188 1.017,1189 0.925,1190 1.359,1191 1.344,1192 0.487,1193 1.354,1194 0.794,1195 0.747,1196 1.082,1197 1.051,1198 0.154,1199 1.047,1200 0.73,1201 0.7,1202 1.007,1203 0.99,1204 0.059,1205 1.021,1206 3.892,1208 5.198,1209 3.045,1210 6.691,1211 5.416,1212 8.271,1213 7.496,1214 9.9,1216 1.66,1221 8.788,1222 1.471,1223 3.03,1224 10.577,1227 1.455,1231 24.611,1232 65.286,1233 151.322,1234 184.621,1235 191.376,1236 193.376,1237 193.376,1238 34.878,1239 6.86,1240 85.61,1241 85.61,1242 16,1243 12.278,1244 3.322,1245 2.807,1246 34.58,1247 75,1248 90,1249 0.226,1250 151.279,1251 272.4,1252 360.88,1253 7986,1255 15.527,1256 0.706,1257 0.555,1258 15.527,1259 12.204,1260 10.686,1261 0.445,1262 0.292,1263 6.849,1264 10.057,1265 6.716,1266 5.559,1267 10.686,1268 7.017,1269 9.336,1270 0.283,1271 0.15,1272 9.336,1273 4.946,1274 8.135,1275 0.185,1276 0.077,1277 8.135,1278 3.386,1279 6.467,1280 0.115,1281 0.039,1282 6.467,1283 2.197,1284 4.759,1285 0.076,1286 0.021,1287 4.759,1288 1.348,1289 0.354,1290 68.701,1291 0.25,1292 21.879,1293 0.618,1294 114,1295 400.979,1296 131.316,1297 370.17,1298 499.93,1299 348,1300 134,1301 359.737,1302 151.819,1303 359.563,1304 530.86,1305 336,1306 6.553} {0 CHEMBL1802854,1 1.615,2 11.417,3 1.725,4 2.976,5 89.747,6 7.365,7 0.231,8 3.918,9 4.03,10 3.465,11 3.359,12 5.02,13 3.367,14 4.47,15 4.642,16 3.797,17 3.731,18 5.559,19 3.713,20 4.63,21 4.85,22 3.759,23 3.797,24 5.697,25 3.739,26 4.651,27 4.887,28 3.599,29 3.735,30 5.672,31 3.656,32 4.545,33 4.787,34 3.542,35 3.653,36 5.54,37 3.576,38 4.518,39 4.754,40 3.553,41 3.594,42 5.596,43 3.536,44 4.43,45 4.646,46 3.536,47 3.54,48 5.546,49 3.487,50 4.418,51 4.648,52 3.446,53 3.499,54 5.518,55 3.416,56 0.089,57 0.647,58 9.673,59 3.957,60 10.052,61 5.204,62 0.5,63 1,64 19.142,65 6.485,66 31.077,67 8.734,68 0.377,69 1.106,70 23.23,71 7.578,72 41.314,73 11.038,74 0.542,75 1.084,76 24.683,77 6.995,78 55.688,79 10.454,80 0.379,81 0.991,82 21.936,83 6.546,84 40.262,85 9.871,86 0.501,87 0.94,88 21.697,89 6.042,90 50.716,91 9.076,92 0.493,93 0.876,94 19.351,95 5.679,96 45.197,97 8.392,98 0.537,99 0.828,100 19.413,101 5.979,102 46.58,103 8.817,104 16,105 35,106 0.282,107 0.648,108 0.823,109 0.886,110 0.894,111 0.894,112 3.228,113 0.925,114 -3.24,115 -3.23,116 -3.1,119 37.8,121 3,123 1,124 2,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 6,161 3,162 3,164 2,166 2,168 5,171 1,172 7,176 2,178 2,182 9,185 1,187 3,194 8,199 1,205 1,206 5,210 1,211 2,213 1,216 3,217 1,222 1,224 2,228 2,229 1,232 3,237 4,245 1,250 4,255 898,256 16.422,257 16.422,258 16.422,259 16.422,260 16.422,261 15.24,262 19.664,263 10.015,264 16.807,265 12.805,266 12.805,267 12.805,268 12.805,269 12.805,270 10.77,271 21.377,272 4.753,273 13.419,274 3.877,275 1.78,276 0.778,277 0.417,278 0.372,279 0.372,280 3.91,283 1,284 1,285 586,286 3.24,288 131.18,289 65.982,291 105.182,295 2.083,296 27.476,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 53.5,307 274,308 4.451,309 3.813,310 6.612,311 4.094,312 3.142,313 3.987,314 1.399,315 10.397,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.687,327 2.874,328 5.555,329 3.319,330 2.355,331 2.981,332 1.005,333 7.247,334 2.261,335 3.364,336 2.478,337 5.172,338 2.995,339 2.026,340 2.525,341 0.532,342 6.094,343 1.951,344 2.973,345 2.01,346 4.684,347 2.758,348 1.779,349 2.029,350 0.27,351 4.631,352 1.739,353 2.885,354 1.983,355 4.362,356 2.526,357 1.583,358 1.986,359 0.204,360 4.197,361 1.486,362 2.803,363 1.933,364 3.804,365 2.476,366 1.534,367 1.8,369 3.518,370 1.436,371 2.305,372 1.68,373 3.456,374 2.189,375 1.233,376 1.286,378 2.452,379 1.171,380 2.202,381 1.65,382 3.351,383 2.092,384 1.098,385 1.181,386 2.378,387 1.09,388 1.885,389 1.267,390 3.141,391 1.546,392 0.596,393 0.651,394 1.243,395 0.557,396 1.677,397 0.87,398 2.958,399 1.439,400 0.5,401 0.583,402 1.069,403 0.465,404 1.586,405 0.775,406 2.749,407 1.186,408 0.207,409 0.268,411 0.46,412 0.201,413 1.014,414 0.154,415 2.367,416 0.809,417 -0.134,418 -0.148,420 -0.279,421 -0.125,422 0.788,423 -0.088,424 2.242,425 0.516,426 -0.444,427 -0.493,429 -0.957,430 -0.421,431 0.553,432 -0.442,433 2.097,434 0.159,435 -0.795,436 -0.979,438 -1.849,439 -0.755,440 11.033,441 0.46,442 0.486,443 0.02,444 27.75,445 1.156,446 11.5,447 0.479,448 16.25,449 0.677,450 19.204,451 0.8,452 27.367,453 0.608,454 20.047,455 0.835,456 5.606,457 0.234,458 6.08,459 0.253,460 0.106,462 0.308,466 0.89,467 1.526,468 0.801,469 1.262,470 0.752,471 1.046,472 0.94,473 0.94,474 0.909,475 0.934,476 0.74,477 0.916,478 0.801,479 1.173,480 0.854,481 1.066,482 0.752,483 0.982,484 1.076,485 0.985,486 1.102,487 0.928,488 1.141,489 0.991,490 0.892,491 1.085,492 0.948,493 0.979,494 0.916,495 0.962,496 1.022,497 0.973,498 0.966,499 0.871,500 1.29,501 0.889,502 0.879,503 1.091,504 0.981,505 1.027,506 1.145,507 1.016,508 0.643,509 0.96,510 0.934,511 1.047,512 0.917,513 1.051,514 4,515 0.041,516 2.444,517 1.896,518 0.898,519 0.66,520 0.456,521 0.343,522 0.264,523 0.12,524 6794,525 19286,526 2.064,527 46.7,528 2,529 11,530 2,532 2,534 4,536 1.665,537 1.946,538 3.459,539 0.337,540 1,541 1,543 1,545 72.653,546 1.615,547 3.712,548 4.714,549 5.075,550 5.12,551 5.12,552 2.98,553 4.502,554 4.547,555 3.633,556 1002.65,557 7.835,558 12168.2,560 1,562 1,563 247.133,564 1.347,565 4.522,566 0.154,567 0.004,568 0.07,569 0.057,570 0.033,571 0.025,572 0.018,573 0.014,574 0.012,575 0.007,576 0.394,577 0.33,578 1,579 1.712,580 116.101,581 -0.085,582 -0.261,583 0.046,584 -0.112,585 -0.079,586 -0.02,587 0.064,588 0.193,589 0.029,590 0.092,591 0.005,592 0.053,593 -0.002,594 -0.138,595 0.083,596 -0.054,597 0.072,598 0.02,599 -0.153,600 0.036,601 -0.128,602 0.015,603 -0.125,604 -0.036,605 -0.094,606 -0.07,607 0.007,608 -0.012,609 -0.046,610 0.021,611 -0.058,612 0.035,613 0.021,614 0.065,615 -0.084,616 0.063,617 0.085,618 -0.05,619 -0.012,620 -0.066,621 -0.029,622 -0.059,623 0.26,624 0.039,625 0.034,626 -0.079,627 0.094,628 -0.075,629 1.814,630 5.303,631 0.583,632 24.438,633 1.013,634 1.135,635 2.01,636 4.04,637 0.638,638 3.296,639 3.584,640 3.85,641 4.078,642 4.19,643 4.248,644 4.369,645 4.5,646 4.511,647 4.585,648 6.594,649 0.615,650 331.41,651 3.296,652 4.812,653 5.652,654 6.515,655 7.377,656 8.25,657 9.123,658 10.002,659 10.88,660 11.763,661 6.7,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 45,700 9,701 1,702 26,704 47,705 17,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 1,719 3,721 10,722 7,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 21,737 7,738 2,739 7,743 3,747 0.667,748 4,749 1,759 2,760 1,762 1,767 1,770 2,773 1,775 1,777 2,781 1,785 24,788 1,789 6,790 1,791 2,794 1,801 8.9,802 1,804 1,806 2,808 12.333,809 8.183,810 5.444,811 2.715,812 2.166,813 1.309,814 0.933,815 5.505,816 9.176,817 3.497,818 3.998,819 4.535,820 5.023,821 5.487,822 5.754,823 6.135,824 6.528,825 6.787,826 7.004,827 0.875,828 33,829 8.875,831 3.709,832 7.854,833 16.854,835 13.476,837 2.354,838 56.5,842 223.651,843 85.694,844 37.921,846 89.828,849 85.694,850 313.479,851 37.921,852 8.396,853 19.484,854 98.599,855 32.606,856 52.458,857 25.441,858 200.109,860 223.651,861 123.614,862 89.828,865 176.567,866 94.229,867 42.683,869 54.28,870 57.101,871 12.233,873 223.651,874 127.749,875 85.694,878 223.651,879 39.392,880 49.426,881 18.011,882 106.614,883 223.651,884 127.749,885 85.694,887 0.566,888 0.332,889 0.172,890 0.085,891 16,892 7,893 0.149,894 7,895 1,896 1.143,897 3.743,898 184.552,899 0.143,900 14,901 110.039,904 16.957,905 7.792,906 3.975,908 127.749,909 5.518,914 2.221,916 60.694,917 437.093,918 32,922 12.303,923 1.737,924 4.378,925 0.788,926 45.567,927 51.069,928 0.294,929 0.676,930 0.858,931 0.924,932 0.932,933 0.932,934 4.732,935 1.233,936 5.617,937 3.518,938 4.263,939 4.682,940 2.409,941 6.405,942 4.173,943 5.901,944 1.098,945 7.162,946 2.452,947 3.761,948 4.425,949 0.81,950 7.252,951 3.617,952 7.193,953 0.596,954 8.812,955 2.378,956 5.826,957 6.769,958 2.778,959 10.371,960 5.644,961 8.527,962 0.5,963 10.524,964 1.243,965 6.217,966 7.366,967 1.554,968 12.077,969 5.969,970 9.899,971 0.207,972 12.277,973 1.069,974 7.705,975 9.174,976 3.292,977 14.686,978 7.426,979 11.296,980 -0.134,981 14.057,982 0.46,983 8.506,984 10.152,985 2.257,986 16.74,987 8.16,988 12.712,989 -0.444,990 15.857,991 -0.279,992 9.769,993 11.738,994 3.873,995 19.17,996 9.389,997 3.142,998 -0.795,999 17.671,1000 -0.957,1001 10.754,1002 12.9,1003 2.951,1004 21.372,1005 10.312,1006 2.932,1007 10.397,1008 19.497,1009 -1.849,1010 11.929,1011 14.381,1012 4.489,1013 23.735,1014 11.449,1015 2.355,1016 9.256,1017 21.331,1018 3.987,1019 12.994,1020 15.636,1021 3.641,1022 26.003,1023 12.457,1024 2.026,1025 7.247,1026 23.172,1027 3.772,1028 14.137,1029 17.064,1030 5.126,1031 28.342,1032 13.558,1033 1.779,1034 6.094,1035 25.019,1036 2.981,1037 15.236,1038 18.37,1039 4.328,1040 30.64,1041 14.604,1042 1.583,1043 4.631,1044 26.871,1045 2.525,1046 16.368,1047 19.771,1048 5.774,1049 32.971,1050 15.691,1051 1.534,1052 4.197,1053 28.727,1054 2.029,1055 17.484,1056 21.104,1057 5.012,1058 35.285,1059 16.756,1060 6659,1061 11356,1062 17.394,1063 28.688,1064 38.638,1065 40.044,1066 39.461,1067 38.025,1068 37.97,1069 46.095,1070 9.603,1071 105.883,1072 36.272,1073 5.401,1074 5.813,1075 6.564,1076 5.138,1077 5.142,1078 6.987,1079 2.791,1080 17.431,1081 4.997,1082 10.873,1083 1.486,1084 1.54,1085 1.518,1086 1.463,1087 1.46,1088 1.773,1089 0.369,1090 4.072,1091 1.395,1092 4,1093 4.023,1094 3.962,1095 3.898,1096 7.428,1097 3.908,1098 3.829,1099 3.871,1100 3.786,1101 3.635,1102 6.456,1103 3.661,1104 3.701,1105 3.758,1106 3.548,1107 3.543,1108 5.013,1109 3.542,1110 3.397,1111 3.461,1112 3.269,1113 3.179,1114 4.748,1115 3.187,1116 3.32,1117 3.365,1118 3.178,1119 3.078,1120 4.361,1121 3.096,1122 3.092,1123 3.175,1124 2.908,1125 2.876,1126 4.115,1127 2.875,1128 2.986,1129 3.066,1130 2.825,1131 2.716,1132 3.984,1133 2.715,1134 2.848,1135 2.9,1136 2.707,1137 2.662,1138 3.855,1139 2.672,1140 0.171,1141 0.147,1142 0.254,1143 0.157,1144 0.121,1145 4.451,1146 0.153,1147 3.813,1148 0.054,1149 6.612,1150 0.4,1151 4.094,1152 0.115,1153 3.142,1154 3.987,1155 1.399,1156 10.397,1157 2.997,1158 1.891,1159 1.876,1160 1.988,1161 1.971,1162 1.321,1163 1.972,1164 1.736,1165 1.671,1166 1.974,1167 1.929,1168 1.098,1169 1.949,1170 1.483,1171 1.439,1172 1.715,1173 1.763,1174 0.929,1175 1.749,1176 1.451,1177 1.396,1178 1.643,1179 1.652,1180 0.738,1181 1.641,1182 1.282,1183 1.205,1184 1.495,1185 1.529,1186 0.586,1187 1.523,1188 1.156,1189 1.123,1190 1.432,1191 1.507,1192 0.56,1193 1.479,1194 0.935,1195 0.842,1196 1.286,1197 1.255,1198 0.441,1199 1.272,1200 0.794,1201 0.745,1202 1.082,1203 1.03,1204 0.154,1205 1.034,1206 3.97,1208 5.263,1209 3.045,1210 6.739,1211 5.416,1212 8.306,1213 7.496,1214 9.925,1216 1.697,1221 8.766,1222 3.796,1223 3.166,1224 10.625,1227 1.505,1231 27.665,1232 72.653,1233 167.02,1234 212.114,1235 228.379,1236 230.379,1237 230.379,1238 40.879,1239 7.01,1240 85.61,1241 85.61,1242 16,1243 12.298,1244 3.322,1245 2.807,1246 39.482,1247 92,1248 118,1249 0.206,1250 170.464,1251 307,1252 407.691,1253 10035,1255 16.941,1256 0.706,1257 0.567,1258 16.941,1259 13.618,1260 11.686,1261 0.449,1262 0.308,1263 7.849,1264 11.057,1265 7.697,1266 6.393,1267 11.686,1268 8.017,1269 10.043,1270 0.287,1271 0.162,1272 10.043,1273 5.653,1274 8.635,1275 0.188,1276 0.084,1277 8.635,1278 3.886,1279 6.82,1280 0.118,1281 0.044,1282 6.82,1283 2.532,1284 5.018,1285 0.077,1286 0.024,1287 5.018,1288 1.539,1289 0.329,1290 74.701,1291 0.24,1292 23.911,1293 0.55,1294 122,1295 408.979,1296 139.316,1297 378.493,1298 511.45,1299 356,1300 142,1301 367.737,1302 159.819,1303 367.886,1304 542.38,1305 344,1306 5.678} {0 CHEMBL1802855,1 1.644,2 11.577,3 0.992,4 0.984,5 96.439,6 7.467,7 0.207,8 4.003,9 4.116,10 3.579,11 3.423,12 5.054,13 3.444,14 4.589,15 4.766,16 3.928,17 3.808,18 5.634,19 3.813,20 4.732,21 4.939,22 3.878,23 3.916,24 5.764,25 3.863,26 4.774,27 5.014,28 3.683,29 3.875,30 5.71,31 3.772,32 4.713,33 4.984,34 3.625,35 3.754,36 5.614,37 3.66,38 4.592,39 4.833,40 3.657,41 3.647,42 5.609,43 3.598,44 4.495,45 4.712,46 3.69,47 3.609,48 5.603,49 3.587,50 4.498,51 4.706,52 3.625,53 3.661,54 5.553,55 3.594,56 0.085,57 0.719,58 10.221,59 4.042,60 5.483,61 5.431,62 0.628,63 1.122,64 21.752,65 6.417,66 29.272,67 8.828,68 0.533,69 1.253,70 25.302,71 8.048,72 36.817,73 11.556,74 0.53,75 1.239,76 27.405,77 8.373,78 46.634,79 12.563,80 0.519,81 1.128,82 26.89,83 7.695,84 40.037,85 11.871,86 0.525,87 1.015,88 23.377,89 6.281,90 42.184,91 9.71,92 0.607,93 0.968,94 20.604,95 5.279,96 43.489,97 8.144,98 0.528,99 0.964,100 19.947,101 6.38,102 33.909,103 9.312,104 5,105 40,106 0.282,107 0.614,108 0.774,109 0.841,110 0.848,111 0.848,112 3.304,113 0.903,114 -2.73,115 -2.74,116 -2.66,119 37.5,123 1,124 6,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 4,161 3,162 3,164 2,168 4,171 2,172 7,174 1,178 2,182 7,185 1,187 1,193 2,194 6,199 1,205 1,206 2,209 1,211 2,216 4,217 1,222 1,228 4,229 1,232 1,242 2,245 1,255 1054,256 17.861,257 17.861,258 17.861,259 17.861,260 17.861,261 16.679,262 25.415,263 10.632,264 18.485,265 14.323,266 14.323,267 14.323,268 14.323,269 14.323,270 12.288,271 30.721,272 5.079,273 15.28,274 3.941,275 2.005,276 1.073,277 0.682,278 0.641,279 0.641,280 4.003,284 1,285 667,286 2.828,288 140.227,289 166.037,291 114.05,295 2.071,296 26.997,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 58,307 301,308 4.451,309 3.813,310 6.612,311 4.095,312 3.142,313 3.987,314 1.399,315 10.397,316 2.997,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.772,323 1.392,324 9.256,325 2.782,326 3.688,327 2.914,328 5.556,329 3.439,330 2.523,331 2.981,332 1.005,333 7.252,334 2.31,335 3.522,336 2.844,337 5.34,338 3.314,339 2.35,340 2.557,341 0.86,342 6.962,343 2.253,344 3.353,345 2.478,346 5.171,347 2.964,348 1.998,349 2.48,350 0.8,351 6.088,352 1.913,353 2.972,354 2.174,355 4.682,356 2.551,357 1.621,358 2.029,359 0.532,360 4.623,361 1.505,362 2.885,363 2.008,364 4.362,365 2.477,366 1.534,367 1.985,368 0.27,369 4.197,370 1.437,371 2.563,372 1.983,373 3.689,374 2.402,375 1.51,376 1.558,377 0.204,378 3.225,379 1.337,380 2.202,381 1.677,382 3.457,383 2.093,384 1.099,385 1.181,386 2.452,387 1.091,388 2.137,389 1.589,390 3.389,391 1.963,392 1.039,393 1.1,394 2.319,395 0.95,396 2,397 1.256,398 3.247,399 1.952,400 1,401 1,402 2.136,403 0.946,404 1.873,405 1.125,406 3.142,407 1.459,408 0.507,409 0.615,411 1.23,412 0.477,413 1.644,414 0.788,415 2.957,416 1.258,417 0.273,418 0.341,420 0.643,421 0.266,422 1.154,423 0.324,424 2.727,425 0.911,426 -0.025,427 -0.029,429 -0.064,430 -0.023,431 0.846,432 -0.048,433 2.367,434 0.573,435 -0.389,436 -0.43,438 -0.963,439 -0.369,440 11.933,441 0.459,442 0.554,443 0.021,444 30.25,445 1.163,446 11.5,447 0.442,448 18.75,449 0.721,450 21.007,451 0.808,452 29.467,453 0.614,454 22.35,455 0.86,456 6.343,457 0.244,458 6.36,459 0.245,460 0.07,462 0.318,466 0.869,467 1.689,468 0.753,469 1.353,470 0.631,471 1.07,472 1.189,473 0.885,474 0.953,475 0.8,476 0.756,477 0.808,478 0.926,479 1.071,480 1.009,481 1.053,482 0.792,483 1.043,484 0.872,485 1.114,486 1.088,487 1.106,488 1.108,489 1.133,490 0.789,491 0.893,492 0.866,493 0.871,494 0.846,495 0.873,496 0.982,497 1.099,498 0.887,499 0.903,500 1.396,501 0.873,502 0.975,503 0.994,504 0.965,505 0.838,506 1.335,507 0.865,508 0.651,509 1.057,510 1.032,511 1.171,512 0.902,513 1.171,514 4.5,515 0.057,516 2.667,517 1.958,518 0.889,519 0.695,520 0.476,521 0.418,522 0.283,523 0.144,524 9247,525 24659,526 2.148,527 45.8,529 19,530 2,532 1,536 1.687,537 2.053,538 3.497,539 -0.256,541 1,545 78.912,546 1.644,547 3.58,548 4.512,549 4.903,550 4.944,551 4.944,552 2.969,553 4.393,554 4.67,555 3.685,556 1197.56,557 8.071,558 15480.1,560 1,563 268.078,564 1.239,565 4.65,566 0.155,567 0.004,568 0.067,569 0.053,570 0.031,571 0.025,572 0.016,573 0.014,574 0.01,575 0.008,576 0.383,577 0.33,578 1,579 0.465,580 129.299,581 -0.06,582 -0.414,583 0.085,584 -0.218,585 -0.03,586 -0.061,587 -0.049,588 0.245,589 0.011,590 0.174,591 0.009,592 0.118,593 -0.047,594 0.002,595 -0.072,596 -0.048,597 0.083,598 -0.063,599 -0.083,600 -0.11,601 -0.139,602 -0.121,603 -0.07,604 -0.138,605 -0.014,606 0.058,607 0.115,608 0.073,609 0.021,610 0.119,611 -0.027,612 -0.118,613 0.106,614 0.034,615 -0.058,616 0.087,617 0.057,618 0.084,619 0.019,620 0.079,621 -0.003,622 0.054,623 0.205,624 0.022,625 -0.098,626 -0.173,627 0.086,628 -0.193,629 1.795,630 5.439,631 0.769,632 26.195,633 1.014,634 1.137,635 1.499,636 2.248,637 0.639,638 3.401,639 3.714,640 3.989,641 4.22,642 4.344,643 4.357,644 4.489,645 4.635,646 4.691,647 4.796,648 6.902,649 0.618,650 358.44,651 3.401,652 4.934,653 5.784,654 6.65,655 7.513,656 8.384,657 9.252,658 10.127,659 10.999,660 11.876,661 8.3,663 1,664 1,668 1,670 1,675 3,680 3,682 6,697 2,699 48,700 9,701 1,702 29,704 51,705 18,706 6,707 3,708 3,709 4,710 4,711 5,714 1,721 10,722 8,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 22,737 8,738 1,739 8,743 4,747 0.75,748 4,759 2,760 2,762 1,767 1,770 2,773 1,774 1,776 1,777 3,781 1,785 26,789 7,790 1,791 3,794 2,801 8.3,804 1,805 1,806 2,808 12.667,809 8.85,810 5.694,811 2.832,812 2.15,813 1.29,814 0.976,815 5.219,816 9.56,817 3.584,818 4.086,819 4.608,820 5.081,821 5.531,822 5.782,823 6.161,824 6.557,825 6.824,826 7.05,827 0.875,828 37,829 9.634,831 4.088,832 7.712,833 18.504,835 15.081,837 2.212,838 57.5,842 247.193,843 93.592,844 41.045,846 58.145,849 93.592,850 305.338,851 41.045,852 8.396,853 27.382,854 55.916,855 43.606,856 55.582,857 25.441,858 223.651,860 247.193,861 134.637,862 58.145,865 247.193,866 47.145,867 11,869 65.303,870 57.101,871 12.233,873 247.193,874 99.189,875 93.592,878 247.193,879 47.291,880 52.55,881 18.011,882 74.93,883 247.193,884 99.189,885 93.592,887 0.579,888 0.342,889 0.18,890 0.088,891 20,892 8,893 0.098,894 5,895 1,896 1.1,897 3.993,898 213.658,899 0.1,900 20,901 118.211,904 17.49,905 7.758,906 3.938,908 99.189,909 5.568,914 2.256,916 18.011,917 439.975,918 35,922 12.439,923 1.761,924 4.449,925 0.854,926 48.669,927 54.568,928 0.294,929 0.641,930 0.808,931 0.878,932 0.885,933 0.885,934 4.84,935 1.51,936 5.753,937 4.197,938 4.394,939 4.771,940 2.607,941 6.538,942 4.277,943 6.002,944 1.099,945 7.295,946 3.225,947 3.892,948 4.494,949 0.968,950 7.361,951 3.728,952 7.291,953 1.039,954 8.938,955 2.452,956 5.964,957 6.825,958 2.87,959 10.465,960 5.74,961 8.617,962 1,963 10.641,964 2.319,965 6.33,966 7.403,967 1.617,968 12.144,969 6.061,970 9.98,971 0.507,972 12.382,973 2.136,974 7.828,975 9.204,976 3.331,977 14.74,978 7.507,979 11.367,980 0.273,981 14.151,982 1.23,983 8.598,984 10.17,985 2.278,986 16.777,987 8.23,988 12.774,989 -0.025,990 15.94,991 0.643,992 9.866,993 11.752,994 3.888,995 19.198,996 9.451,997 3.142,998 -0.389,999 17.743,1000 -0.064,1001 10.824,1002 12.908,1003 2.958,1004 21.391,1005 10.361,1006 2.932,1007 10.397,1008 19.559,1009 -0.963,1010 11.999,1011 14.387,1012 4.495,1013 23.749,1014 11.491,1015 2.523,1016 9.256,1017 21.384,1018 3.987,1019 13.046,1020 15.64,1021 3.644,1022 26.013,1023 12.49,1024 2.35,1025 7.252,1026 23.218,1027 3.772,1028 14.186,1029 17.067,1030 5.128,1031 28.348,1032 13.585,1033 1.998,1034 6.962,1035 25.057,1036 2.981,1037 15.274,1038 18.372,1039 4.329,1040 30.645,1041 14.626,1042 1.621,1043 6.088,1044 26.903,1045 2.557,1046 16.402,1047 19.772,1048 5.775,1049 32.974,1050 15.709,1051 1.534,1052 4.623,1053 28.754,1054 2.48,1055 17.51,1056 21.105,1057 5.012,1058 35.287,1059 16.77,1060 8591,1061 14192,1062 19.879,1063 30.693,1064 43.742,1065 45.091,1066 43.873,1067 43.131,1068 43.059,1069 51.171,1070 12.923,1071 121.558,1072 40.527,1073 5.451,1074 5.813,1075 6.414,1076 5.198,1077 5.142,1078 6.987,1079 2.791,1080 17.431,1081 4.997,1082 8.913,1083 1.508,1084 1.555,1085 1.513,1086 1.487,1087 1.485,1088 1.765,1089 0.446,1090 4.192,1091 1.397,1092 4.002,1093 4.026,1094 3.963,1095 3.898,1096 7.428,1097 3.908,1098 3.844,1099 3.894,1100 3.789,1101 3.633,1102 5.013,1103 3.663,1104 3.776,1105 3.824,1106 3.676,1107 3.559,1108 4.751,1109 3.583,1110 3.434,1111 3.499,1112 3.302,1113 3.22,1114 4.623,1115 3.227,1116 3.323,1117 3.366,1118 3.201,1119 3.081,1120 4.359,1121 3.103,1122 3.111,1123 3.206,1124 2.907,1125 2.941,1126 4.088,1127 2.91,1128 3.092,1129 3.174,1130 2.866,1131 2.876,1132 3.982,1133 2.874,1134 2.934,1135 3.015,1136 2.813,1137 2.704,1138 3.855,1139 2.696,1140 0.153,1141 0.131,1142 0.228,1143 0.141,1144 0.108,1145 4.451,1146 0.137,1147 3.813,1148 0.048,1149 6.612,1150 0.359,1151 4.095,1152 0.103,1153 3.142,1154 3.987,1155 1.399,1156 10.397,1157 2.997,1158 1.891,1159 1.876,1160 1.976,1161 1.995,1162 1.262,1163 1.99,1164 1.747,1165 1.681,1166 1.964,1167 1.969,1168 1.098,1169 1.97,1170 1.511,1171 1.442,1172 1.74,1173 1.797,1174 0.974,1175 1.778,1176 1.459,1177 1.43,1178 1.65,1179 1.663,1180 0.825,1181 1.652,1182 1.29,1183 1.212,1184 1.513,1185 1.529,1186 0.736,1187 1.519,1188 1.156,1189 1.123,1190 1.492,1191 1.504,1192 0.585,1193 1.478,1194 1.153,1195 1.064,1196 1.432,1197 1.376,1198 0.557,1199 1.429,1200 0.875,1201 0.791,1202 1.175,1203 1.199,1204 0.302,1205 1.204,1206 4.078,1208 5.389,1209 3.045,1210 6.884,1211 5.416,1212 8.46,1213 7.496,1214 10.078,1216 1.726,1222 5.297,1223 3.254,1224 16.026,1227 3.87,1231 29.686,1232 78.912,1233 171.836,1234 216.568,1235 235.323,1236 237.323,1237 237.323,1238 36.912,1239 7.41,1240 77.85,1241 77.85,1242 22,1243 12.415,1244 3.322,1245 2.807,1246 38.235,1247 107,1248 106,1249 0.171,1250 179.457,1251 322.94,1252 429.635,1253 17736,1255 17.933,1256 0.69,1257 0.567,1258 17.933,1259 14.734,1260 12.704,1261 0.438,1262 0.301,1263 8.509,1264 11.913,1265 8.356,1266 6.848,1267 12.704,1268 8.726,1269 11.275,1270 0.282,1271 0.158,1272 11.275,1273 6.323,1274 9.868,1275 0.186,1276 0.086,1277 9.868,1278 4.583,1279 7.955,1280 0.119,1281 0.046,1282 7.955,1283 3.068,1284 5.972,1285 0.079,1286 0.025,1287 5.972,1288 1.927,1289 0.274,1290 81.712,1291 0.224,1292 25.609,1293 0.454,1294 138,1295 456.21,1296 158.837,1297 418.339,1298 569.71,1299 396,1300 162,1301 411.971,1302 184.116,1303 410.548,1304 607.44,1305 384,1306 5.921} {0 CHEMBL1802856,1 1.73,2 8.714,3 0.755,4 0.571,5 74.014,6 8.45,7 0.261,8 3.676,9 3.769,10 3.342,11 3.132,12 4.897,13 3.176,14 4.193,15 4.336,16 3.726,17 3.483,18 5.47,19 3.523,20 4.264,21 4.403,22 3.655,23 3.524,24 5.599,25 3.541,26 4.307,27 4.49,28 3.512,29 3.475,30 5.554,31 3.45,32 4.19,33 4.384,34 3.44,35 3.374,36 5.424,37 3.366,38 4.156,39 4.327,40 3.371,41 3.285,42 5.586,43 3.271,44 4.062,45 4.265,46 3.228,47 3.124,48 5.316,49 3.103,50 3.89,51 4.099,52 3.118,53 2.98,54 5.121,55 2.958,56 0.135,57 0.51,58 5.448,59 2.791,60 8.276,61 3.113,62 0.531,63 0.778,64 12.272,65 4.527,66 25.453,67 5.262,68 0.448,69 0.822,70 12.502,71 4.744,72 41.864,73 5.342,74 0.562,75 0.817,76 14.939,77 5.009,78 49.749,79 6.234,80 0.401,81 0.73,82 13.468,83 4.499,84 31.313,85 5.674,86 0.509,87 0.664,88 12.916,89 4.515,90 67.745,91 5.47,92 0.521,93 0.582,94 13.037,95 4.032,96 51.037,97 5.267,98 0.387,99 0.493,100 10.73,101 3.567,102 28.268,103 4.87,104 19,105 33,106 0.319,107 0.706,108 0.828,109 0.864,110 0.875,111 0.875,112 3.103,113 0.822,114 -2.82,115 -2.83,116 -2.74,119 41.2,120 1,123 1,125 1,130 1,132 1,133 3,134 1,135 2,147 2,148 1,159 4,161 3,162 4,164 3,166 1,168 4,171 1,172 7,178 2,181 2,182 9,185 1,187 1,194 6,199 1,205 2,206 4,211 2,213 1,216 3,217 1,222 1,224 1,228 2,229 2,232 1,237 2,242 1,245 1,250 1,255 539,256 13.878,257 13.878,258 13.878,259 13.878,260 13.878,261 12.489,262 17.519,263 8.038,264 14.18,265 11.34,266 11.34,267 11.34,268 11.34,269 11.34,270 9.01,271 19.487,272 3.83,273 11.816,274 3.358,275 1.257,276 0.596,277 0.397,278 0.339,279 0.339,280 3.778,284 1,285 392,286 2.915,288 107.032,289 53.357,291 85.413,295 1.347,296 27.581,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 47.5,307 183,308 4.455,309 3.826,310 6.616,311 4.1,312 3.148,313 3.988,314 1.914,315 10.421,316 3.001,317 4.273,318 3.515,319 6.194,320 3.884,321 2.932,322 3.777,323 1.392,324 9.257,325 2.783,326 3.733,327 3.305,328 5.58,329 3.368,330 2.395,331 3.014,332 1.383,333 7.326,334 2.319,335 3.533,336 2.791,337 5.201,338 3.193,339 2.194,340 2.748,341 0.99,342 6.283,343 2.175,344 3.202,345 2.476,346 4.776,347 2.77,348 1.79,349 2.301,350 0.532,351 4.983,352 1.739,353 2.969,354 2.007,355 4.39,356 2.479,357 1.534,358 2.028,359 0.228,360 4.214,361 1.444,362 2.885,363 1.982,364 4.357,365 2.464,366 1.506,367 1.979,368 0.06,369 4.123,370 1.427,371 2.202,372 1.675,373 3.455,374 2.092,375 1.098,376 1.181,378 2.452,379 1.09,380 1.884,381 1.34,382 3.158,383 1.463,384 0.509,385 0.619,386 1.233,387 0.48,388 1.652,389 0.799,390 2.968,391 1.275,392 0.28,393 0.359,394 0.66,395 0.274,396 1.219,397 0.637,398 2.713,399 0.851,400 -0.107,401 -0.129,402 -0.299,403 -0.102,404 0.828,405 0.144,406 2.366,407 0.423,408 -0.564,409 -0.702,411 -1.484,412 -0.549,413 0.558,414 -0.123,415 2.182,416 0.111,417 -0.875,418 -1.122,420 -2,421 -0.844,422 0.429,423 -0.546,424 1.949,425 0.092,426 -1,427 -1.205,429 -2.508,430 -0.965,431 0.311,432 -0.584,433 1.645,434 -0.031,435 -1,436 -1.391,438 -2.584,439 -1.097,440 9.533,441 0.454,442 0.63,443 0.03,444 27.75,445 1.321,446 13,447 0.619,448 14.75,449 0.702,450 13.779,451 0.656,452 22.867,453 0.673,454 20.206,455 0.962,456 5.886,457 0.28,458 4.156,459 0.198,460 0.175,462 0.409,466 0.805,467 1.513,468 0.657,469 1.215,470 0.594,471 0.947,472 0.84,473 0.787,474 0.7,475 0.745,476 0.593,477 0.693,478 1.148,479 1.23,480 1.081,481 1.119,482 1.189,483 1.079,484 0.979,485 1.022,486 1.131,487 1.005,488 1.027,489 1.087,490 0.985,491 0.999,492 0.961,493 0.964,494 0.975,495 0.933,496 1.032,497 1.141,498 1.093,499 1.152,500 1.282,501 1.149,502 0.903,503 0.937,504 0.947,505 0.93,506 1.24,507 0.952,508 0.582,509 0.955,510 0.748,511 1.042,512 0.631,513 0.963,514 5,515 0.071,516 2.444,517 2.021,518 0.978,519 0.796,520 0.319,521 0.302,522 0.208,523 0.105,524 4327,525 14738,526 2.045,527 38.2,529 7,530 2,532 1,533 3,536 1.631,537 1.881,538 3.137,539 -0.197,541 1,543 1,545 58.81,546 1.73,547 3.83,548 4.491,549 4.69,550 4.749,551 4.749,552 2.529,553 4.202,554 4.365,555 3.277,556 688.116,557 7.473,558 7270.75,560 1,563 172.974,564 1.51,565 4.305,566 0.217,567 0.012,568 0.074,569 0.067,570 0.039,571 0.033,572 0.015,573 0.017,574 0.013,575 0.011,576 0.498,577 0.67,578 1,579 1.083,580 94.71,581 -0.094,582 -0.337,583 0.052,584 -0.18,585 -0.083,586 -0.05,587 0.122,588 0.304,589 0.179,590 0.221,591 0.062,592 0.21,593 -0.215,594 -0.153,595 -0.229,596 -0.149,597 -0.146,598 -0.181,599 -0.082,600 -0.001,601 -0.195,602 -0.052,603 -0.083,604 -0.139,605 -0.156,606 0.016,607 -0.018,608 -0.001,609 -0.055,610 0.043,611 -0.026,612 -0.185,613 -0.131,614 -0.175,615 0.068,616 -0.186,617 0.104,618 -0.017,619 0.088,620 0.026,621 -0.088,622 0.044,623 0.303,624 -0.031,625 0.274,626 -0.064,627 0.179,628 0.067,629 1.948,630 5.071,631 0.667,632 15.333,633 1.03,634 1.13,635 1.587,636 2.52,637 0.666,638 3.178,639 3.526,640 3.784,641 4.043,642 4.159,643 4.205,644 4.304,645 4.382,646 4.369,647 4.454,648 5.337,649 0.663,650 287.3,651 3.178,652 4.727,653 5.58,654 6.466,655 7.338,656 8.227,657 9.105,658 9.994,659 10.876,660 11.766,661 8.8,668 2,670 1,675 3,680 3,682 6,697 2,699 34,700 10,701 1,702 23,704 36,705 14,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 1,721 11,722 3,724 4,728 2,729 1,730 1,731 4,732 1,733 1,736 13,737 7,738 1,739 7,743 3,747 0.667,748 4,759 2,760 1,762 1,766 1,767 1,770 2,777 2,781 2,785 21,789 1,790 1,791 2,794 1,801 11.8,804 2,806 2,808 11.167,809 6.9,810 4.528,811 1.844,812 2.256,813 1.333,814 0.969,815 3.492,816 9.033,817 3.434,818 3.998,819 4.514,820 5.036,821 5.495,822 5.782,823 6.154,824 6.532,825 6.793,826 7.029,827 0.833,828 30,829 7.733,831 3.307,832 8.056,833 14.223,835 11.29,837 2.556,838 53.667,842 141.253,843 89.514,844 37.921,846 72.29,849 89.514,850 213.543,851 37.921,852 17.222,853 27.785,854 37.905,855 62.456,856 52.458,857 25.441,858 117.711,860 141.253,861 127.435,862 72.29,865 141.253,866 72.29,869 53.396,870 61.806,871 12.233,873 141.253,874 110.21,875 89.514,878 141.253,879 34.388,880 58.251,881 18.011,882 89.075,883 141.253,884 110.21,885 89.514,887 0.591,888 0.338,889 0.181,890 0.093,891 17,892 8,893 0.056,894 2,895 1,896 1.143,897 3.33,898 160.855,899 0.143,900 14,901 92.239,904 13.798,905 5.314,906 2.681,908 110.21,909 5.352,914 2.076,916 18.011,917 340.978,918 30,922 23.136,923 1.635,924 4.129,925 -0.089,926 35.033,927 38.409,928 0.34,929 0.753,930 0.883,931 0.922,932 0.933,933 0.933,934 4.696,935 1.098,936 5.587,937 4.123,938 4.205,939 4.682,940 2.824,941 6.409,942 4.125,943 5.911,944 0.509,945 7.159,946 2.452,947 3.892,948 4.559,949 1.819,950 7.302,951 3.778,952 7.229,953 0.28,954 8.826,955 1.233,956 5.814,957 6.805,958 3.505,959 10.397,960 5.644,961 8.578,962 -0.107,963 10.547,964 0.66,965 6.293,966 7.439,967 3.198,968 12.1,969 6.074,970 9.956,971 -0.564,972 12.303,973 -0.299,974 7.719,975 9.209,976 4.421,977 14.709,978 7.453,979 11.355,980 -0.875,981 14.083,982 -1.484,983 8.555,984 10.194,985 4.521,986 16.758,987 8.231,988 12.769,989 -1,990 15.882,991 -2,992 9.792,993 11.764,994 5.488,995 19.191,996 9.424,997 3.148,998 -1,999 17.694,1000 -2.508,1001 10.79,1002 12.926,1003 5.83,1004 21.391,1005 10.362,1006 2.932,1007 10.421,1008 19.517,1009 -2.584,1010 11.954,1011 14.4,1012 6.653,1013 23.757,1014 11.482,1015 2.395,1016 9.257,1017 21.35,1018 3.988,1019 13.023,1020 15.654,1021 7.134,1022 26.025,1023 12.494,1024 2.194,1025 7.326,1026 23.189,1027 3.777,1028 14.162,1029 17.079,1030 7.877,1031 28.366,1032 13.587,1033 1.79,1034 6.283,1035 25.035,1036 3.014,1037 15.263,1038 18.384,1039 8.436,1040 30.666,1041 14.634,1042 1.534,1043 4.983,1044 26.886,1045 2.748,1046 16.394,1047 19.783,1048 9.135,1049 32.999,1050 15.718,1051 1.506,1052 4.214,1053 28.741,1054 2.301,1055 17.511,1056 21.116,1057 9.736,1058 35.315,1059 16.783,1060 4248,1061 7938,1062 15.027,1063 22.642,1064 35.49,1065 37.019,1066 36.001,1067 34.785,1068 34.772,1069 43.985,1070 12.994,1071 101.901,1072 33.466,1073 5.345,1074 5.826,1075 6.128,1076 5.143,1077 5.148,1078 6.988,1079 3.317,1080 17.489,1081 5.001,1082 11.187,1083 1.543,1084 1.61,1085 1.565,1086 1.512,1087 1.512,1088 1.912,1089 0.565,1090 4.43,1091 1.455,1092 3.999,1093 4.019,1094 3.962,1095 3.897,1096 7.432,1097 3.907,1098 3.822,1099 3.857,1100 3.789,1101 3.608,1102 7.426,1103 3.649,1104 3.524,1105 3.563,1106 3.439,1107 3.294,1108 5.012,1109 3.319,1110 3.329,1111 3.367,1112 3.226,1113 3.087,1114 4.732,1115 3.113,1116 3.092,1117 3.174,1118 2.906,1119 2.876,1120 4.349,1121 2.874,1122 2.892,1123 2.984,1124 2.758,1125 2.703,1126 3.992,1127 2.694,1128 2.83,1129 2.879,1130 2.707,1131 2.583,1132 3.874,1133 2.601,1134 2.655,1135 2.701,1136 2.492,1137 2.431,1138 3.854,1139 2.444,1140 0.194,1141 0.166,1142 0.288,1143 0.178,1144 0.137,1145 4.455,1146 0.173,1147 3.826,1148 0.083,1149 6.616,1150 0.453,1151 4.1,1152 0.13,1153 3.148,1154 3.988,1155 1.914,1156 10.421,1157 3.001,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.971,1164 1.546,1165 1.486,1166 1.749,1167 1.834,1168 0.77,1169 1.803,1170 1.461,1171 1.438,1172 1.659,1173 1.678,1174 0.705,1175 1.665,1176 1.313,1177 1.242,1178 1.498,1179 1.543,1180 0.584,1181 1.532,1182 1.156,1183 1.123,1184 1.433,1185 1.512,1186 0.556,1187 1.48,1188 0.872,1189 0.784,1190 1.168,1191 1.181,1192 0.167,1193 1.2,1194 0.794,1195 0.738,1196 1.081,1197 0.991,1198 0.15,1199 1.021,1200 0.729,1201 0.695,1202 0.859,1203 0.976,1205 0.94,1206 3.85,1208 5.187,1209 3.045,1210 6.696,1211 5.416,1212 8.285,1213 7.496,1214 9.919,1216 2.915,1222 0.196,1223 2.51,1224 10.515,1227 1.292,1231 22.557,1232 58.81,1233 130.219,1234 152.709,1235 159.464,1236 161.464,1237 161.464,1238 33.348,1239 6.777,1240 82.45,1241 82.45,1242 16,1243 12.296,1244 3.459,1245 3,1246 32.238,1247 67,1248 59,1249 0.24,1250 138.759,1251 252.46,1252 330.332,1253 7004,1255 14.983,1256 0.713,1257 0.55,1258 14.983,1259 11.544,1260 10.042,1261 0.437,1262 0.274,1263 6.144,1264 9.426,1265 5.962,1266 4.957,1267 10.042,1268 6.301,1269 9.469,1270 0.287,1271 0.14,1272 9.469,1273 4.623,1274 7.731,1275 0.18,1276 0.071,1277 7.731,1278 3.056,1279 6.346,1280 0.113,1281 0.036,1282 6.346,1283 2.029,1284 4.726,1285 0.075,1286 0.02,1287 4.726,1288 1.252,1289 0.372,1290 64.66,1291 0.258,1292 20.756,1293 0.67,1294 112,1295 420.565,1296 130.424,1297 390.004,1298 523.89,1299 364,1300 132,1301 380.421,1302 150.151,1303 380.085,1304 557.48,1305 354,1306 5.509} {0 CHEMBL1802857,1 1.75,2 10.72,3 1.106,4 1.222,5 85.326,6 8.633,7 0.222,8 3.836,9 3.92,10 3.509,11 3.259,12 5.088,13 3.319,14 4.36,15 4.492,16 3.885,17 3.594,18 5.695,19 3.651,20 4.442,21 4.579,22 3.883,23 3.644,24 5.932,25 3.681,26 4.453,27 4.607,28 3.728,29 3.605,30 5.801,31 3.616,32 4.398,33 4.563,34 3.724,35 3.522,36 5.801,37 3.55,38 4.36,39 4.514,40 3.703,41 3.432,42 5.856,43 3.492,44 4.282,45 4.43,46 3.624,47 3.364,48 5.795,49 3.407,50 4.233,51 4.419,52 3.462,53 3.356,54 5.483,55 3.345,56 0.217,57 0.58,58 6.085,59 3.329,60 15.129,61 3.556,62 0.765,63 0.869,64 14.469,65 5.28,66 45.771,67 5.91,68 0.795,69 0.922,70 15.612,71 5.754,72 79.727,73 6.727,74 0.767,75 0.919,76 16.232,77 5.557,78 75.623,79 6.332,80 0.737,81 0.847,82 16.263,83 5.304,84 70.118,85 6.354,86 0.765,87 0.788,88 15.778,89 4.803,90 99.498,91 5.446,92 0.85,93 0.736,94 14.41,95 4.303,96 90.315,97 4.972,98 0.59,99 0.716,100 13.832,101 4.7,102 46.37,103 5.977,104 31,105 38,106 0.31,107 0.679,108 0.835,109 0.874,110 0.883,111 0.883,112 3.267,113 0.828,114 -2.57,115 -2.59,116 -2.53,119 40,120 1,123 1,124 1,125 1,130 1,132 1,133 3,134 1,135 2,147 3,148 1,159 4,161 4,162 4,164 3,168 4,171 3,172 7,174 2,178 2,181 2,182 8,185 1,187 1,193 4,194 7,199 2,205 2,206 3,211 2,216 5,217 5,222 1,228 2,229 4,232 1,242 6,245 1,250 1,255 924,256 16.662,257 16.662,258 16.662,259 16.662,260 16.662,261 15.234,262 21.797,263 9.732,264 17.17,265 13.24,266 13.24,267 13.24,268 13.24,269 13.24,270 10.713,271 22.973,272 4.524,273 13.909,274 3.572,275 1.487,276 0.607,277 0.388,278 0.338,279 0.338,280 3.942,284 1,285 569,286 3.674,288 138.026,289 69.439,291 110.756,295 1.834,296 39.927,299 1,300 0.83,301 1,302 0.6,304 1,305 0.78,306 57.5,307 268,308 4.459,309 3.911,310 6.62,311 4.106,312 3.153,313 3.988,314 1.674,315 10.434,316 3.006,317 4.276,318 3.788,319 6.194,320 3.886,321 2.934,322 3.781,323 1.415,324 9.258,325 2.788,326 4.033,327 3.305,328 5.903,329 3.698,330 2.698,331 3.339,332 1.392,333 8.081,334 2.673,335 3.667,336 3.013,337 5.526,338 3.301,339 2.333,340 2.962,341 1.088,342 7.141,343 2.247,344 3.335,345 2.74,346 5.163,347 2.916,348 1.951,349 2.488,350 0.905,351 6.027,352 1.865,353 2.972,354 2.476,355 4.685,356 2.539,357 1.601,358 2.029,359 0.532,360 4.627,361 1.492,362 2.885,363 2.007,364 4.362,365 2.476,366 1.534,367 1.985,368 0.225,369 4.197,370 1.437,371 2.764,372 1.982,373 3.963,374 2.312,375 1.364,376 1.68,378 3.193,379 1.267,380 2.202,381 1.807,382 3.455,383 2.092,384 1.098,385 1.181,386 2.452,387 1.09,388 2.059,389 1.675,390 3.169,391 1.768,392 0.763,393 0.909,394 1.307,395 0.749,396 1.883,397 1.34,398 3.022,399 1.459,400 0.507,401 0.616,402 1.219,403 0.477,404 1.651,405 0.797,406 2.919,407 1.255,408 0.251,409 0.334,411 0.586,412 0.248,413 1.216,414 0.565,415 2.474,416 0.829,417 -0.144,418 -0.175,420 -0.391,421 -0.138,422 0.827,423 0.301,424 2.365,425 0.417,426 -0.568,427 -0.655,429 -0.9,430 -0.547,431 0.67,432 -0.05,433 2.171,434 0.393,435 -0.609,436 -0.821,438 -1.527,439 -0.607,440 11.2,441 0.448,442 0.682,443 0.027,444 32,445 1.28,446 14.5,447 0.58,448 17.5,449 0.7,450 17.623,451 0.705,452 27.8,453 0.695,454 26.069,455 1.043,456 6.815,457 0.273,458 5.175,459 0.207,460 0.179,462 0.393,466 0.811,467 1.557,468 0.644,469 1.288,470 0.593,471 0.98,472 0.868,473 0.827,474 0.729,475 0.788,476 0.602,477 0.724,478 0.846,479 1.142,480 0.854,481 1.028,482 0.752,483 0.963,484 1.12,485 1.119,486 1.188,487 1.061,488 1.269,489 1.124,490 1.014,491 1.034,492 0.964,493 0.968,494 1.315,495 0.95,496 1.247,497 1.111,498 1.01,499 0.979,500 1.476,501 0.911,502 1.046,503 1.001,504 1.073,505 0.899,506 1.075,507 0.96,508 0.759,509 0.988,510 0.992,511 1.089,512 0.755,513 1.097,514 5.5,515 0.104,516 3.333,517 2.271,518 1.138,519 0.907,520 0.594,521 0.405,522 0.313,523 0.125,524 7095,525 25547,526 2.015,527 37.5,529 9,530 2,532 1,534 3,536 1.679,537 1.852,538 3.398,539 -0.198,540 1,541 1,543 1,545 70.009,546 1.75,547 3.835,548 4.715,549 4.934,550 4.984,551 4.984,552 2.903,553 4.564,554 4.613,555 3.556,556 1066.69,557 7.974,558 13053.6,559 1,560 1,563 212.877,564 1.516,565 4.555,566 0.204,567 0.008,568 0.088,569 0.061,570 0.037,571 0.029,572 0.02,573 0.015,574 0.014,575 0.007,576 0.483,577 0.33,578 1,579 1.579,580 121.343,581 -0.102,582 -0.356,583 0.049,584 -0.214,585 -0.075,586 -0.065,587 0.093,588 0.259,589 0.154,590 0.191,591 0.058,592 0.187,593 0.079,594 -0.087,595 0.034,596 -0.036,597 0.166,598 -0.026,599 -0.19,600 -0.064,601 -0.282,602 -0.101,603 -0.192,604 -0.2,605 -0.069,606 -0.012,607 -0.016,608 -0.011,609 -0.124,610 -0.002,611 -0.177,612 -0.111,613 -0.04,614 -0.043,615 -0.091,616 0.005,617 0.038,618 0.027,619 -0.115,620 0.021,621 0.066,622 -0.069,623 0.058,624 0.036,625 -0.043,626 -0.12,627 0.019,628 -0.105,629 2.709,630 5.251,631 0.56,632 22.758,633 1.039,634 1.131,635 1.34,636 1.796,637 0.658,638 3.332,639 3.664,640 3.932,641 4.143,642 4.263,643 4.331,644 4.466,645 4.575,646 4.564,647 4.635,648 6.326,649 0.663,650 345.34,651 3.332,652 4.875,653 5.727,654 6.603,655 7.473,656 8.353,657 9.23,658 10.113,659 10.994,660 11.879,661 7.5,668 2,670 1,675 3,680 3,682 6,697 2,699 40,700 11,701 1,702 27,704 42,705 16,706 6,707 3,708 3,709 6,710 3,711 4,714 1,715 1,721 12,722 4,724 5,728 3,729 1,730 1,731 5,732 1,733 1,736 15,737 9,738 1,739 9,743 3,747 0.667,748 6,759 2,760 1,762 1,766 1,767 1,768 1,770 2,777 2,781 2,785 25,789 2,790 1,791 3,794 1,801 15,804 3,806 3,808 13.5,809 7.983,810 5.556,811 2.324,812 2.28,813 1.322,814 0.944,815 4.946,816 9.359,817 3.584,818 4.119,819 4.647,820 5.093,821 5.547,822 5.83,823 6.224,824 6.605,825 6.869,826 7.115,827 1,828 37,829 9.26,831 3.986,832 8.193,833 16.727,835 13.063,837 2.693,838 67.333,842 164.795,843 101.298,844 37.921,846 108.434,849 101.298,850 273.23,851 37.921,852 17.222,853 32.378,854 37.905,855 94.792,856 63.458,857 25.441,858 141.253,860 164.795,861 139.219,862 108.434,865 129.482,866 143.748,869 57.988,870 68.997,871 12.233,873 164.795,874 146.355,875 101.298,878 164.795,879 46.172,880 58.251,881 18.011,882 125.22,883 164.795,884 146.355,885 101.298,887 0.584,888 0.349,889 0.176,890 0.086,891 18,892 9,893 0.119,894 5,895 1,896 1.143,897 3.686,898 200.969,899 0.143,900 14,901 116.096,904 17.296,905 7.149,906 3.611,908 146.355,909 5.191,914 1.888,916 18.011,917 412.449,918 35,922 35.297,923 1.546,924 4.064,925 -2.392,926 41.571,927 45.243,928 0.329,929 0.721,930 0.886,931 0.927,932 0.937,933 0.937,934 4.84,935 1.364,936 5.727,937 4.197,938 4.344,939 4.804,940 2.926,941 6.544,942 4.258,943 6.046,944 1.098,945 7.3,946 3.193,947 4.007,948 4.677,949 0.81,950 7.438,951 3.901,952 7.36,953 0.763,954 8.971,955 2.452,956 5.953,957 6.916,958 3.534,959 10.527,960 5.786,961 8.708,962 0.507,963 10.696,964 1.307,965 6.431,966 7.571,967 1.554,968 12.219,969 6.236,970 10.088,971 0.251,972 12.455,973 1.219,974 7.857,975 9.315,976 4.307,977 14.819,978 7.61,979 11.487,980 -0.144,981 14.235,982 0.586,983 8.691,984 10.313,985 2.288,986 16.849,987 8.404,988 12.902,989 -0.568,990 16.032,991 -0.391,992 9.923,993 11.86,994 5.173,995 19.274,996 9.588,997 3.153,998 -0.609,999 17.841,1000 -0.9,1001 10.914,1002 13.025,1003 3.02,1004 21.459,1005 10.533,1006 2.934,1007 10.434,1008 19.659,1009 -1.527,1010 12.071,1011 14.481,1012 6.094,1013 23.818,1014 11.644,1015 2.698,1016 9.258,1017 21.486,1018 3.988,1019 13.133,1020 15.734,1021 3.744,1022 26.076,1023 12.655,1024 2.333,1025 8.081,1026 23.319,1027 3.781,1028 14.265,1029 17.146,1030 7.05,1031 28.412,1032 13.74,1033 1.951,1034 7.141,1035 25.158,1036 3.339,1037 15.359,1038 18.446,1039 4.461,1040 30.706,1041 14.783,1042 1.601,1043 6.027,1044 27.002,1045 2.962,1046 16.483,1047 19.837,1048 8.029,1049 33.035,1050 15.859,1051 1.534,1052 4.627,1053 28.85,1054 2.488,1055 17.594,1056 21.165,1057 5.171,1058 35.348,1059 16.918,1060 6991,1061 13383,1062 17.512,1063 26.313,1064 41.259,1065 43.763,1066 42.408,1067 40.411,1068 40.376,1069 50.583,1070 14.46,1071 117.042,1072 38.679,1073 5.403,1074 5.911,1075 6.389,1076 5.163,1077 5.153,1078 6.988,1079 3.349,1080 17.531,1081 5.006,1082 14.139,1083 1.528,1084 1.621,1085 1.571,1086 1.497,1087 1.495,1088 1.873,1089 0.536,1090 4.335,1091 1.433,1092 4,1093 4.019,1094 3.964,1095 3.897,1096 7.501,1097 3.908,1098 3.827,1099 3.858,1100 3.797,1101 3.609,1102 7.428,1103 3.652,1104 3.635,1105 3.647,1106 3.591,1107 3.372,1108 7.355,1109 3.417,1110 3.39,1111 3.442,1112 3.256,1113 3.169,1114 5.012,1115 3.179,1116 3.322,1117 3.361,1118 3.19,1119 3.074,1120 4.731,1121 3.102,1122 3.092,1123 3.173,1124 2.909,1125 2.876,1126 4.452,1127 2.875,1128 2.915,1129 2.965,1130 2.826,1131 2.702,1132 4.347,1133 2.695,1134 2.839,1135 2.876,1136 2.707,1137 2.573,1138 3.989,1139 2.619,1140 0.165,1141 0.145,1142 0.245,1143 0.152,1144 0.117,1145 4.459,1146 0.148,1147 3.911,1148 0.062,1149 6.62,1150 0.386,1151 4.106,1152 0.111,1153 3.153,1154 3.988,1155 1.674,1156 10.434,1157 3.006,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.971,1164 1.554,1165 1.522,1166 1.808,1167 1.854,1168 0.939,1169 1.811,1170 1.469,1171 1.439,1172 1.69,1173 1.735,1174 0.748,1175 1.732,1176 1.437,1177 1.369,1178 1.533,1179 1.641,1180 0.588,1181 1.616,1182 1.229,1183 1.186,1184 1.438,1185 1.521,1186 0.563,1187 1.489,1188 1.155,1189 1.122,1190 1.395,1191 1.482,1192 0.317,1193 1.456,1194 0.828,1195 0.774,1196 1.082,1197 1.159,1198 0.153,1199 1.134,1200 0.794,1201 0.735,1202 1.051,1203 0.991,1204 0.116,1205 1.021,1206 4.007,1208 5.333,1209 3.045,1210 6.836,1211 5.416,1212 8.42,1213 7.496,1214 10.047,1216 3.021,1222 0.224,1223 2.257,1224 15.103,1227 1.135,1231 26.514,1232 70.009,1233 153.393,1234 188.612,1235 197.367,1236 199.367,1237 199.367,1238 50.856,1239 7.079,1240 108.75,1241 108.75,1242 16,1243 12.412,1244 3.585,1245 3.17,1246 41.852,1247 94,1248 102,1249 0.218,1250 163.009,1251 302,1252 389.502,1253 10594,1255 17.974,1256 0.719,1257 0.543,1258 17.974,1259 13.568,1260 11.99,1261 0.444,1262 0.276,1263 7.251,1264 11.18,1265 7.092,1266 5.878,1267 11.99,1268 7.455,1269 10.819,1270 0.285,1271 0.135,1272 10.819,1273 5.116,1274 9.346,1275 0.187,1276 0.069,1277 9.346,1278 3.454,1279 7.19,1280 0.116,1281 0.036,1282 7.19,1283 2.221,1284 5.246,1285 0.075,1286 0.019,1287 5.246,1288 1.326,1289 0.343,1290 77.838,1291 0.239,1292 24.412,1293 0.595,1294 130,1295 536.036,1296 154.291,1297 489.411,1298 649.69,1299 456,1300 153,1301 463.512,1302 177.463,1303 458.899,1304 677.8,1305 428,1306 5.215} {0 CHEMBL1802962,1 1.641,2 6.353,3 2.815,4 7.921,5 70.842,6 11.121,7 0.842,8 3.408,9 3.527,10 3.318,11 3.05,12 4.619,13 3.034,14 3.842,15 3.976,16 3.756,17 3.445,18 5.061,19 3.401,20 4.014,21 4.188,22 3.871,23 3.539,24 5.107,25 3.455,26 3.959,27 4.123,28 3.949,29 3.483,30 5.085,31 3.376,32 3.908,33 4.111,34 3.568,35 3.285,36 4.979,37 3.157,38 3.734,39 3.967,40 3.403,41 3.053,42 4.835,43 2.932,44 3.486,45 3.731,46 3.23,47 2.695,48 4.609,49 2.552,50 3.041,51 3.336,52 1.699,53 2.068,54 3.973,55 1.822,56 0.05,57 0.415,58 1.59,59 1.813,60 6.631,61 1.928,62 0.118,63 0.639,64 3.202,65 3.193,66 12.534,67 3.691,68 0.136,69 0.709,70 11.517,71 4.484,72 13.683,73 4.82,74 0.141,75 0.658,76 11.187,77 4.415,78 12.427,79 4.757,80 0.153,81 0.602,82 21.984,83 4.78,84 15.141,85 5.143,86 0.163,87 0.524,88 12.685,89 3.758,90 15.922,91 4.239,92 0.15,93 0.383,94 12.962,95 2.919,96 15.042,97 3.169,98 0.096,99 0.228,100 14.468,101 2.34,102 11.79,103 2.546,104 5,105 27,106 0.317,107 0.684,108 0.835,109 0.894,110 0.894,111 0.894,112 2.911,113 0.93,114 -3.52,115 -3.49,116 -3.34,117 1,119 46.2,133 4,134 2,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 3,161 1,162 3,163 2,164 2,166 3,168 6,172 1,176 1,178 6,182 1,185 1,187 5,190 2,192 2,194 4,199 1,202 3,204 1,206 1,209 1,210 1,212 1,213 1,217 3,222 3,226 3,229 1,234 1,239 1,255 288,256 11.569,257 11.569,258 11.569,259 11.569,260 11.569,261 9.654,262 4.806,263 6.781,264 11.919,265 9.382,266 9.382,267 9.382,268 9.382,269 9.382,270 6.578,271 3.176,272 3.202,273 10.011,274 3.06,275 1.164,276 0.385,277 0.077,278 0.077,279 0.077,280 3.586,284 1,285 234,286 1.732,288 29.314,289 82.356,291 56.484,295 0.962,296 10.544,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 35.75,307 108,308 4.668,309 3.334,310 6.886,311 4.2,312 3.231,313 4.627,315 11.497,316 3.124,317 4.047,318 2.749,319 5.877,320 3.569,321 2.631,322 3.675,324 8.142,325 2.466,326 3.51,327 2.403,328 5.043,329 3.062,330 2.136,331 2.882,333 5.916,334 1.976,335 3.414,336 2.133,337 5.015,338 2.87,339 1.984,340 2.799,342 5.672,343 1.66,344 2.964,345 1.513,346 4.324,347 2.474,348 1.492,349 2.178,351 3.874,352 1.462,353 2.681,354 1.223,355 3.8,356 2.166,357 1.204,358 1.766,360 2.742,361 1.153,362 2.5,363 1,364 3.472,365 1.952,366 1,367 1.5,369 2.457,370 0.95,371 2.159,372 0.916,373 3.305,374 1.605,375 0.708,376 1.01,378 1.755,379 0.588,380 1.049,381 0.117,382 2.486,383 0.538,384 -0.307,385 -0.395,386 -0.707,387 -0.177,388 0.952,389 -0.248,390 2.364,391 0.495,392 -0.402,393 -0.51,394 -0.896,395 -0.369,396 0.765,397 -0.618,398 2,399 0.318,400 -0.633,401 -0.854,402 -1.74,403 -0.601,404 0.5,405 -1,406 2,407 -0.03,408 -1,409 -1.5,411 -2.675,412 -0.96,413 0.081,414 -1.038,415 1.861,416 -0.391,417 -1.276,418 -1.725,420 -3.312,421 -0.982,422 -0.086,423 -1.268,424 1.527,425 -0.541,426 -1.382,427 -1.844,429 -3.409,430 -1.247,431 -0.134,432 -1.511,433 1.257,434 -0.687,435 -1.547,436 -2.167,438 -4.463,439 -1.456,440 8.933,441 0.525,442 0.418,443 0.025,444 25.75,445 1.515,446 14.5,447 0.853,448 11.25,449 0.662,450 10.853,451 0.638,452 16.267,453 0.626,454 14.085,455 0.829,456 4.908,457 0.289,458 3.346,459 0.197,460 0.194,462 0.336,466 1.044,467 1.073,468 0.46,469 0.594,470 1.192,471 0.636,472 0.634,473 0.883,474 0.563,475 0.7,476 0.497,477 0.777,478 1.12,479 0.966,480 0.956,481 0.854,482 0.903,483 0.875,484 0.909,485 1.081,486 1.208,487 1.128,488 0.884,489 1.098,490 1.059,491 1.189,492 1.401,493 1.378,494 0.973,495 1.264,496 1.024,497 0.901,498 0.981,499 0.925,500 1.148,501 0.972,502 1.101,503 1.145,504 1.22,505 1.308,506 1.192,507 1.228,508 1.456,509 0.943,510 1.534,511 1.427,512 1.791,513 1.39,514 3,516 2,517 1.313,518 1.006,519 0.295,520 0.279,521 0.099,522 0.02,524 2226,525 7267,526 2.127,527 34.6,529 4,530 1,531 1,532 3,536 1.574,537 2,538 2.734,539 1.251,543 1,545 42.663,546 1.641,547 3.536,548 4.316,549 4.624,550 4.624,551 4.624,552 2.162,553 3.852,554 4.064,555 2.792,556 379.759,557 6.891,558 3335.39,559 1,560 1,562 1,563 122.211,564 1.379,565 4.023,566 0.158,568 0.074,569 0.05,570 0.044,571 0.017,572 0.02,573 0.012,574 0.01,576 0.386,577 0.67,578 1,579 0.604,580 68.429,581 -0.224,582 0.006,583 -0.009,584 0.082,585 -0.328,586 0.084,587 0.186,588 0.16,589 0.01,590 0.048,591 0.225,592 0.006,593 -0.219,594 0.016,595 -0.035,596 0.07,597 -0.118,598 0.033,599 0.01,600 -0.123,601 -0.034,602 -0.119,603 -0.061,604 -0.17,605 -0.089,606 -0.278,607 -0.15,608 -0.301,609 -0.055,610 -0.245,611 0.058,612 0.059,613 -0.01,614 0.07,615 -0.007,616 0.044,617 0.062,618 -0.217,619 -0.004,620 -0.218,621 0.105,622 -0.16,623 -0.306,624 -0.093,625 -0.241,626 -0.232,627 -0.344,628 -0.177,629 1.385,630 1.603,631 0.882,632 8.879,633 1.011,634 1.118,635 2.289,636 5.241,637 0.756,638 2.996,639 3.332,640 3.638,641 3.951,642 4.127,643 4.143,644 4.205,645 4.263,646 4.143,647 4.007,648 4.002,649 0.719,650 289.15,651 2.996,652 4.533,653 5.398,654 6.293,655 7.179,656 8.081,657 8.973,658 9.878,659 10.775,660 11.68,661 15.4,665 1,669 1,671 2,674 2,675 6,676 2,677 1,680 4,682 16,691 1,698 1,699 26,700 16,701 1,702 19,703 1,704 28,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 9,737 3,738 3,739 5,740 1,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,780 1,785 17,786 1,800 1,808 8.5,809 4.626,810 3.694,811 1.398,812 3.189,813 1.494,814 1.069,815 2.518,816 9.644,817 3.332,818 4.021,819 4.702,820 5.377,821 5.91,822 6.241,823 6.667,824 7.104,825 7.278,826 7.53,827 1,828 26,829 6.199,831 2.623,832 7.691,833 11.78,835 9.632,837 2.191,838 37.25,839 0.002,842 70.627,843 71.613,844 129.208,849 117.568,850 70.627,851 83.254,854 79.85,855 45.342,856 37.403,857 15.814,858 47.084,859 45.954,860 70.627,861 154.867,864 45.954,865 70.627,869 30.489,870 90.807,871 33.571,872 45.954,873 70.627,874 83.254,875 117.568,878 70.627,879 15.614,880 56,881 62.74,882 66.468,883 70.627,884 83.254,885 117.568,887 0.584,888 0.348,889 0.201,890 0.107,891 15,892 6,893 0.036,894 1,895 1,896 1.133,897 2.925,898 124.964,899 0.133,900 15,901 69.487,904 10.599,905 4.038,906 1.784,907 2.164,908 66.468,909 11.447,910 8.13,911 3.216,914 3.143,916 49.683,917 271.448,918 27,926 26.287,927 29.08,928 0.349,929 0.752,930 0.918,931 0.984,932 0.984,933 0.984,934 4.543,935 0.708,936 5.389,937 2.457,938 4.007,939 4.705,941 6.232,942 3.886,943 5.784,944 -0.307,945 6.963,946 1.755,947 3.611,948 4.559,950 7.213,951 3.4,952 7.11,953 -0.402,954 8.642,955 -0.707,956 5.617,957 7.031,959 10.363,960 5.414,961 8.479,962 -0.633,963 10.386,964 -0.896,965 6.066,966 7.764,968 12.233,969 5.803,970 9.883,971 -1,972 12.172,973 -1.74,974 7.548,975 9.678,977 14.906,978 7.283,979 11.313,980 -1.276,981 13.99,982 -2.675,983 8.392,984 10.834,986 17.128,987 8.086,988 12.764,989 -1.382,990 15.83,991 -3.312,992 9.669,993 12.516,995 19.645,996 9.349,997 3.231,998 -1.547,999 17.689,1000 -3.409,1001 10.694,1002 13.875,1004 22.003,1005 10.341,1006 2.631,1007 11.497,1008 19.561,1009 -4.463,1010 11.895,1011 15.462,1013 24.469,1014 11.52,1015 2.136,1016 8.142,1017 21.444,1018 4.627,1019 13,1020 16.914,1022 26.878,1023 12.594,1024 1.984,1025 5.916,1026 23.336,1027 3.675,1028 14.175,1029 18.464,1031 29.327,1032 13.743,1033 1.492,1034 5.672,1035 25.235,1036 2.882,1037 15.315,1038 19.958,1040 31.756,1041 14.852,1042 1.204,1043 3.874,1044 27.139,1045 2.799,1046 16.483,1047 21.494,1049 34.2,1050 15.991,1051 1,1052 2.742,1053 29.048,1054 2.178,1055 17.639,1056 23.007,1058 36.636,1059 17.116,1060 2191,1061 4040,1062 12.83,1063 19.659,1064 29.149,1065 28.991,1066 29.969,1067 28.976,1068 28.773,1069 40.876,1071 84.113,1072 26.759,1073 5.323,1074 5.334,1075 6.439,1076 5.272,1077 5.231,1078 7.627,1080 18.697,1081 5.124,1082 6.617,1083 1.534,1084 1.526,1085 1.577,1086 1.525,1087 1.514,1088 2.151,1090 4.427,1091 1.408,1092 4.138,1093 4.168,1094 6.881,1095 4.071,1096 5.238,1097 4.07,1098 3.782,1099 3.839,1100 4.057,1101 3.628,1102 4.958,1103 3.645,1104 3.382,1105 3.44,1106 3.727,1107 3.25,1108 4.586,1109 3.248,1110 3.043,1111 3.146,1112 3.246,1113 2.943,1114 4.3,1115 2.889,1116 2.938,1117 2.984,1118 2.887,1119 2.746,1120 3.94,1121 2.761,1122 2.595,1123 2.667,1124 2.713,1125 2.427,1126 3.757,1127 2.424,1128 2.407,1129 2.484,1130 2.406,1131 2.248,1132 3.458,1133 2.24,1134 2.229,1135 2.373,1136 2.236,1137 1.798,1138 3.148,1139 1.813,1140 0.246,1141 0.175,1142 0.362,1143 0.221,1144 0.17,1145 4.668,1146 0.244,1147 3.334,1149 6.886,1150 0.605,1151 4.2,1152 0.164,1153 3.231,1154 4.627,1156 11.497,1157 3.124,1158 1.943,1159 1.927,1160 1.988,1161 2.014,1162 1.171,1163 2.014,1164 1.76,1165 1.714,1166 1.853,1167 1.94,1168 0.866,1169 1.92,1170 1.396,1171 1.335,1172 1.537,1173 1.622,1174 0.534,1175 1.608,1176 1.024,1177 0.966,1178 1.261,1179 1.307,1180 0.281,1181 1.308,1182 0.928,1183 0.834,1184 1.168,1185 1.143,1186 0.059,1187 1.157,1188 0.741,1189 0.703,1190 0.92,1191 0.859,1193 0.913,1194 0.398,1195 0.317,1196 0.656,1197 0.671,1199 0.667,1200 0.15,1202 0.526,1203 0.552,1205 0.562,1206 3.664,1208 4.99,1209 2.398,1210 6.524,1211 4.727,1212 8.153,1213 6.862,1214 9.832,1215 3.548,1220 5.603,1231 18.691,1232 42.663,1233 91.947,1234 112.211,1235 120.211,1236 120.211,1237 120.211,1238 16.165,1239 6.455,1240 67.59,1241 67.59,1242 17,1243 12.2,1244 4.087,1245 3.17,1246 23.578,1247 40,1248 36,1249 0.302,1250 122.298,1251 191.18,1252 290.166,1253 4495,1254 3.8,1255 11.828,1256 0.696,1257 0.612,1258 12.828,1259 10.4,1260 8.254,1261 0.434,1262 0.31,1263 5.09,1264 7.472,1265 4.948,1266 4.089,1267 8.831,1268 5.893,1269 7.519,1270 0.278,1271 0.167,1272 8.26,1273 4.519,1274 6.383,1275 0.173,1276 0.088,1277 7.057,1278 3.266,1279 5.679,1280 0.111,1281 0.048,1282 6.402,1283 2.446,1284 4.399,1285 0.072,1286 0.025,1287 4.962,1288 1.53,1289 0.443,1290 59.501,1291 0.279,1292 16.64,1293 0.921,1294 92,1295 255.59,1296 164.559,1297 293.851,1298 400.8,1299 274,1300 110,1301 279.832,1302 150.245,1303 298.617,1304 438.39,1305 282,1306 6.071} {0 CHEMBL1802963,1 1.641,2 6.412,3 2.815,4 7.921,5 70.842,6 11.121,7 0.842,8 3.408,9 3.527,10 3.318,11 3.05,12 4.619,13 3.034,14 3.842,15 3.976,16 3.756,17 3.445,18 5.06,19 3.401,20 4.015,21 4.187,22 3.894,23 3.524,24 5.119,25 3.447,26 3.958,27 4.124,28 3.802,29 3.473,30 5.078,31 3.359,32 3.899,33 4.117,34 3.304,35 3.233,36 4.925,37 3.111,38 3.73,39 3.97,40 3.421,41 3.004,42 4.848,43 2.904,44 3.484,45 3.733,46 3.14,47 2.761,48 4.527,49 2.59,50 3.056,51 3.328,52 3.008,53 2.207,54 4.143,55 2.011,56 0.05,57 0.415,58 1.59,59 1.813,60 6.631,61 1.928,62 0.118,63 0.639,64 3.202,65 3.193,66 12.468,67 3.691,68 0.148,69 0.707,70 12.33,71 4.416,72 13.794,73 4.793,74 0.134,75 0.66,76 14.124,77 4.562,78 12.668,79 4.805,80 0.133,81 0.607,82 16.696,83 4.475,84 14.699,85 5.087,86 0.169,87 0.524,88 9.386,89 3.464,90 16.324,91 4.159,92 0.125,93 0.385,94 11.336,95 3.055,96 14.154,97 3.224,98 0.117,99 0.223,100 12.705,101 2.272,102 12.132,103 2.503,104 5,105 27,106 0.317,107 0.684,108 0.835,109 0.894,110 0.894,111 0.894,112 2.91,113 0.93,114 -3.52,115 -3.49,116 -3.34,117 1,119 46.2,133 4,134 2,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 4,161 1,162 3,163 2,164 2,166 2,168 5,172 1,176 3,178 5,182 2,185 1,187 4,190 4,192 2,194 2,199 1,202 1,204 1,206 3,209 1,210 1,211 1,212 1,213 2,215 1,217 1,222 1,226 1,229 2,234 2,239 2,255 285,256 11.569,257 11.569,258 11.569,259 11.569,260 11.569,261 9.654,262 4.806,263 6.767,264 11.918,265 9.376,266 9.376,267 9.376,268 9.376,269 9.376,270 6.576,271 3.176,272 3.19,273 10.012,274 3.06,275 1.164,276 0.385,277 0.077,278 0.077,279 0.077,280 3.586,284 1,285 236,286 1.732,288 29.314,289 82.606,291 56.484,295 1.024,296 10.498,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 35.75,307 109,308 4.649,309 3.295,310 6.801,311 4.179,312 3.208,313 4.609,315 11.199,316 3.116,317 4.085,318 2.848,319 6.03,320 3.611,321 2.68,322 3.713,324 8.551,325 2.482,326 3.64,327 2.448,328 5.224,329 3.155,330 2.248,331 3.078,333 6.339,334 2.012,335 3.149,336 1.939,337 4.802,338 2.67,339 1.748,340 2.398,342 5.049,343 1.552,344 3.046,345 1.547,346 4.102,347 2.521,348 1.547,349 2.318,351 3.672,352 1.504,353 2.7,354 1.279,355 4,356 2.188,357 1.233,358 1.792,360 3.016,361 1.166,362 2.5,363 1,364 3.471,365 1.953,366 1,367 1.5,369 2.461,370 0.95,371 2.177,372 0.93,373 3.291,374 1.625,375 0.73,376 1.038,378 1.78,379 0.601,380 1.078,381 0.111,382 2.482,383 0.558,384 -0.284,385 -0.368,386 -0.648,387 -0.169,388 0.942,389 -0.248,390 2.366,391 0.499,392 -0.405,393 -0.512,394 -0.903,395 -0.37,396 0.748,397 -0.634,398 2,399 0.293,400 -0.66,401 -0.893,402 -1.781,403 -0.618,404 0.5,405 -1,406 2,407 -0.03,408 -1,409 -1.5,411 -2.655,412 -0.964,413 0.039,414 -1.041,415 1.861,416 -0.409,417 -1.316,418 -1.751,420 -3.377,421 -0.979,422 -0.058,423 -1.265,424 1.528,425 -0.546,426 -1.36,427 -1.828,429 -3.405,430 -1.246,431 -0.126,432 -1.503,433 1.252,434 -0.661,435 -1.527,436 -2.145,438 -4.816,439 -1.45,440 8.933,441 0.525,442 0.418,443 0.025,444 25.75,445 1.515,446 14.5,447 0.853,448 11.25,449 0.662,450 10.746,451 0.632,452 16.267,453 0.626,454 14.089,455 0.829,456 4.907,457 0.289,458 3.347,459 0.197,460 0.194,462 0.336,466 1.044,467 1.073,468 0.46,469 0.594,470 1.192,471 0.636,472 0.634,473 0.883,474 0.563,475 0.7,476 0.508,477 0.777,478 1.011,479 1.025,480 0.943,481 0.933,482 0.842,483 0.913,484 1.066,485 1.063,486 1.298,487 1.183,488 0.963,489 1.179,490 1.051,491 1.134,492 0.925,493 1.118,494 1.033,495 1.174,496 0.777,497 0.958,498 0.622,499 0.84,500 0.944,501 0.917,502 1.473,503 0.94,504 1.264,505 1.036,506 1.575,507 1.101,508 0.876,509 1.077,510 1.767,511 1.533,512 1.152,513 1.196,514 3,516 2.222,517 1.285,518 0.846,519 0.351,520 0.257,521 0.125,522 0.041,524 2258,525 7483,526 2.127,527 34.6,529 4,530 1,531 1,532 3,536 1.573,537 2,538 2.762,539 1.251,543 1,545 42.663,546 1.641,547 3.536,548 4.316,549 4.624,550 4.624,551 4.624,552 2.184,553 3.852,554 4.063,555 2.832,556 385.18,557 6.883,558 3379.6,559 1,560 1,562 1,563 122.211,564 1.379,565 4.023,566 0.158,568 0.082,569 0.049,570 0.038,571 0.022,572 0.018,573 0.016,574 0.01,576 0.394,577 0.67,578 1,579 0.604,580 68.667,581 -0.224,582 0.006,583 -0.009,584 0.082,585 -0.328,586 0.084,587 0.186,588 0.16,589 0.01,590 0.048,591 0.214,592 0.006,593 -0.106,594 -0.046,595 -0.022,596 -0.013,597 -0.055,598 -0.006,599 -0.153,600 -0.104,601 -0.127,602 -0.176,603 -0.141,604 -0.253,605 -0.152,606 -0.217,607 -0.096,608 -0.177,609 -0.128,610 -0.171,611 0.272,612 0.002,613 0.099,614 0.07,615 0.199,616 0.089,617 -0.325,618 -0.004,619 -0.051,620 0.065,621 -0.294,622 -0.028,623 0.382,624 -0.238,625 0.045,626 -0.166,627 0.332,628 0.05,629 1.383,630 1.597,631 0.882,632 9.045,633 1.011,634 1.118,635 2.289,636 5.241,637 0.756,638 2.996,639 3.332,640 3.638,641 3.932,642 4.111,643 4.159,644 4.22,645 4.29,646 4.127,647 4.043,648 4.081,649 0.719,650 289.15,651 2.996,652 4.533,653 5.398,654 6.29,655 7.174,656 8.072,657 8.964,658 9.865,659 10.761,660 11.663,661 15.4,665 1,669 1,671 2,674 2,675 6,676 2,677 1,680 4,682 16,691 1,698 1,699 26,700 16,701 1,702 19,703 1,704 28,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 9,737 3,738 3,739 5,740 1,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,780 1,785 17,786 1,800 1,808 8.5,809 4.626,810 3.694,811 1.398,812 3.199,813 1.496,814 1.069,815 2.518,816 9.655,817 3.332,818 4.021,819 4.702,820 5.367,821 5.901,822 6.251,823 6.68,824 7.12,825 7.266,826 7.553,827 1,828 26,829 6.199,831 2.622,832 7.691,833 11.78,835 9.632,837 2.191,838 37.25,839 0.002,842 70.627,843 71.613,844 129.208,849 117.568,850 70.627,851 83.254,854 79.85,855 45.342,856 37.403,857 15.814,858 47.084,859 45.954,860 70.627,861 154.867,864 45.954,865 70.627,869 30.489,870 90.807,871 33.571,872 45.954,873 70.627,874 83.254,875 117.568,878 70.627,879 15.614,880 56,881 62.74,882 66.468,883 70.627,884 83.254,885 117.568,887 0.585,888 0.349,889 0.196,890 0.104,891 15,892 6,893 0.036,894 1,895 1,896 1.133,897 2.935,898 124.461,899 0.133,900 15,901 69.487,904 10.599,905 4.038,906 1.784,907 2.164,908 66.468,909 11.473,910 8.121,911 3.226,914 3.16,916 49.683,917 271.448,918 27,926 26.287,927 29.08,928 0.349,929 0.752,930 0.918,931 0.984,932 0.984,933 0.984,934 4.543,935 0.73,936 5.389,937 2.461,938 4.007,939 4.705,941 6.229,942 3.886,943 5.784,944 -0.284,945 6.963,946 1.78,947 3.611,948 4.559,950 7.195,951 3.4,952 7.11,953 -0.405,954 8.642,955 -0.648,956 5.617,957 7.031,959 10.333,960 5.413,961 8.479,962 -0.66,963 10.383,964 -0.903,965 6.066,966 7.764,968 12.167,969 5.802,970 9.882,971 -1,972 12.165,973 -1.781,974 7.545,975 9.676,977 14.821,978 7.28,979 11.312,980 -1.316,981 13.977,982 -2.655,983 8.382,984 10.828,986 16.996,987 8.079,988 12.761,989 -1.36,990 15.809,991 -3.377,992 9.654,993 12.507,995 19.492,996 9.34,997 3.208,998 -1.527,999 17.658,1000 -3.405,1001 10.668,1002 13.859,1004 21.804,1005 10.326,1006 2.68,1007 11.199,1008 19.518,1009 -4.816,1010 11.861,1011 15.441,1013 24.245,1014 11.503,1015 2.248,1016 8.551,1017 21.388,1018 4.609,1019 12.953,1020 16.887,1022 26.615,1023 12.571,1024 1.748,1025 6.339,1026 23.265,1027 3.713,1028 14.12,1029 18.431,1031 29.037,1032 13.717,1033 1.547,1034 5.049,1035 25.148,1036 3.078,1037 15.248,1038 19.919,1040 31.431,1041 14.822,1042 1.233,1043 3.672,1044 27.037,1045 2.398,1046 16.406,1047 21.45,1049 33.848,1050 15.958,1051 1,1052 3.016,1053 28.929,1054 2.318,1055 17.551,1056 22.958,1058 36.253,1059 17.079,1060 2221,1061 4123,1062 12.83,1063 19.659,1064 29.154,1065 29.012,1066 29.969,1067 28.983,1068 28.787,1069 40.894,1071 84.135,1072 26.769,1073 5.303,1074 5.295,1075 6.353,1076 5.25,1077 5.208,1078 7.609,1080 18.545,1081 5.116,1082 6.715,1083 1.534,1084 1.527,1085 1.577,1086 1.525,1087 1.515,1088 2.152,1090 4.428,1091 1.409,1092 4.137,1093 4.168,1094 6.881,1095 4.069,1096 5.238,1097 4.069,1098 3.783,1099 3.839,1100 4.059,1101 3.633,1102 4.957,1103 3.648,1104 3.381,1105 3.441,1106 3.72,1107 3.251,1108 4.586,1109 3.248,1110 3.043,1111 3.147,1112 3.251,1113 2.937,1114 4.297,1115 2.886,1116 2.939,1117 2.984,1118 2.891,1119 2.746,1120 3.938,1121 2.761,1122 2.593,1123 2.668,1124 2.713,1125 2.394,1126 3.761,1127 2.408,1128 2.413,1129 2.48,1130 2.44,1131 2.294,1132 3.457,1133 2.264,1134 2.229,1135 2.373,1136 2.187,1137 1.8,1138 3.202,1139 1.813,1140 0.245,1141 0.173,1142 0.358,1143 0.22,1144 0.169,1145 4.649,1146 0.243,1147 3.295,1149 6.801,1150 0.589,1151 4.179,1152 0.164,1153 3.208,1154 4.609,1156 11.199,1157 3.116,1158 1.944,1159 1.927,1160 1.993,1161 2.016,1162 1.169,1163 2.015,1164 1.759,1165 1.715,1166 1.842,1167 1.934,1168 0.867,1169 1.915,1170 1.397,1171 1.335,1172 1.547,1173 1.631,1174 0.535,1175 1.616,1176 1.025,1177 0.966,1178 1.261,1179 1.308,1180 0.281,1181 1.309,1182 0.928,1183 0.834,1184 1.169,1185 1.14,1186 0.061,1187 1.155,1188 0.741,1189 0.703,1190 0.917,1191 0.859,1193 0.912,1194 0.397,1195 0.318,1196 0.656,1197 0.664,1199 0.663,1200 0.15,1202 0.527,1203 0.552,1205 0.562,1206 3.664,1208 4.99,1209 2.398,1210 6.524,1211 4.727,1212 8.151,1213 6.862,1214 9.825,1215 3.509,1220 5.597,1231 18.691,1232 42.663,1233 91.947,1234 112.211,1235 120.211,1236 120.211,1237 120.211,1238 16.134,1239 6.455,1240 67.59,1241 67.59,1242 17,1243 12.185,1244 4.087,1245 3.17,1246 23.625,1247 41,1248 36,1249 0.296,1250 122.298,1251 191.18,1252 290.166,1253 4495,1254 3.8,1255 11.828,1256 0.696,1257 0.612,1258 12.828,1259 10.4,1260 8.254,1261 0.434,1262 0.31,1263 5.09,1264 7.478,1265 4.948,1266 4.089,1267 8.831,1268 5.893,1269 7.509,1270 0.278,1271 0.167,1272 8.251,1273 4.519,1274 6.444,1275 0.174,1276 0.089,1277 7.16,1278 3.276,1279 5.61,1280 0.112,1281 0.047,1282 6.228,1283 2.334,1284 4.307,1285 0.072,1286 0.024,1287 4.76,1288 1.469,1289 0.438,1290 59.501,1291 0.279,1292 16.697,1293 0.893,1294 92,1295 255.59,1296 164.559,1297 293.851,1298 400.8,1299 274,1300 110,1301 279.832,1302 151.353,1303 298.618,1304 438.35,1305 282,1306 7.167} {0 CHEMBL1802964,1 1.815,2 6.389,3 3.393,4 11.51,5 83.25,6 15.963,7 0.8,8 3.411,9 3.518,10 3.64,11 3.168,12 4.622,13 3.095,14 3.844,15 3.966,16 4.155,17 3.602,18 5.069,19 3.486,20 4.019,21 4.167,22 4.429,23 3.724,24 5.154,25 3.564,26 3.963,27 4.11,28 4.423,29 3.702,30 5.1,31 3.503,32 3.916,33 4.084,34 4.404,35 3.593,36 5.039,37 3.349,38 3.744,39 3.932,40 4.815,41 3.531,42 4.908,43 3.184,44 3.492,45 3.708,46 3.625,47 2.97,48 4.649,49 2.697,50 3.044,51 3.323,52 1.848,53 2.189,54 3.994,55 1.877,56 0.055,57 0.4,58 9.016,59 1.557,60 6.616,61 1.51,62 0.122,63 0.631,64 18.592,65 2.811,66 12.05,67 3.147,68 0.121,69 0.74,70 42.829,71 5.926,72 12.561,73 4.436,74 0.148,75 0.669,76 34.342,77 4.479,78 12.267,79 4.31,80 0.136,81 0.655,82 57.848,83 6.95,84 13.138,85 5.129,86 0.143,87 0.589,88 105.845,89 8.488,90 14.387,91 4.881,92 0.145,93 0.424,94 45.003,95 5.377,96 14.066,97 3.48,98 0.096,99 0.257,100 34.743,101 3.776,102 11.553,103 2.806,104 10,105 29,106 0.351,107 0.737,108 0.859,109 0.894,110 0.894,111 0.894,112 2.963,113 1.062,114 -4.3,115 -4.24,116 -4,117 1,119 46.2,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 3,161 1,162 1,163 2,164 2,166 3,168 5,172 3,176 1,178 6,182 1,185 1,187 3,190 3,192 1,194 4,199 3,204 2,206 1,209 1,210 1,212 1,213 3,217 3,222 3,224 1,226 3,229 1,234 1,239 1,255 336,256 12.069,257 12.069,258 12.069,259 12.069,260 12.069,261 10.101,262 6.567,263 6.957,264 12.598,265 9.849,266 9.849,267 9.849,268 9.849,269 9.849,270 6.967,271 3.951,272 3.275,273 10.878,274 2.885,275 0.889,276 0.26,277 0.077,278 0.077,279 0.077,280 3.636,284 1,285 247,286 1.871,288 31.017,289 88.592,291 59.906,295 0.944,296 11.348,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 37.15,307 115,308 4.688,309 3.373,310 6.935,311 4.224,312 3.262,313 4.64,315 11.675,316 3.127,317 4.197,318 3.022,319 6.194,320 3.687,321 2.781,322 3.877,324 9.023,325 2.481,326 3.523,327 2.421,328 5.079,329 3.067,330 2.151,331 2.895,333 5.935,334 1.976,335 3.421,336 2.31,337 5.026,338 2.873,339 2,340 2.804,342 5.675,343 1.66,344 3.243,345 2.008,346 4.861,347 2.72,348 1.837,349 2.535,351 5.202,352 1.496,353 2.788,354 1.354,355 4.066,356 2.276,357 1.32,358 1.918,360 3.292,361 1.188,362 2.5,363 1,364 3.76,365 1.953,366 1,367 1.5,369 2.561,370 0.95,371 2.172,372 0.919,373 3.311,374 1.615,375 0.723,376 1.031,378 1.775,379 0.592,380 1.372,381 0.581,382 2.665,383 0.842,384 0.102,385 0.123,386 0.225,387 0.031,388 1.043,389 0.098,390 2.367,391 0.499,392 -0.319,393 -0.411,394 -0.733,395 -0.183,396 0.767,397 -0.49,398 2.365,399 0.319,400 -0.627,401 -0.819,402 -1.734,403 -0.47,404 0.5,405 -0.689,406 2,407 -0.03,408 -1,409 -1.203,411 -2.391,412 -0.606,413 0.196,414 -1,415 2,416 -0.261,417 -1,418 -1.5,420 -2.901,421 -0.96,422 0.046,423 -1.039,424 1.753,425 -0.5,426 -1.295,427 -1.733,429 -3.33,430 -0.982,431 -0.126,432 -1.359,433 1.323,434 -0.686,435 -1.521,436 -2.033,438 -3.9,439 -1.258,440 10.576,441 0.588,442 0.507,443 0.028,444 26.25,445 1.458,446 14.5,447 0.806,448 11.75,449 0.653,450 14.793,451 0.822,452 16.424,453 0.632,454 13.023,455 0.723,456 4.656,457 0.259,458 4.008,459 0.223,460 0.319,462 0.331,466 1.068,467 0.96,468 0.46,469 0.445,470 1.212,471 0.528,472 0.642,473 0.77,474 0.578,475 0.544,476 0.51,477 0.644,478 1.081,479 1.078,480 0.99,481 1.005,482 0.847,483 0.918,484 0.922,485 0.938,486 0.908,487 0.797,488 0.911,489 0.913,490 1.005,491 1.28,492 1.385,493 1.403,494 0.874,495 1.258,496 1.019,497 0.961,498 1.488,499 1.502,500 1.151,501 1.177,502 1.153,503 1.193,504 1.36,505 1.429,506 1.264,507 1.433,508 1.523,509 1.008,510 1.014,511 1.115,512 1.911,513 1.51,514 3.5,516 2.444,517 1.5,518 1.232,519 0.542,520 0.301,521 0.127,522 0.02,524 2497,525 9424,526 2.086,527 30.8,529 3,530 1,531 1,532 3,536 1.594,537 1.929,538 2.734,539 1.251,544 1,545 47.192,546 1.815,547 3.811,548 4.441,549 4.624,550 4.624,551 4.624,552 2.135,553 3.795,554 4.147,555 2.796,556 427.713,557 7.069,558 3923.35,560 1,562 1,563 122.211,564 1.481,565 4.09,566 0.175,568 0.084,569 0.052,570 0.047,571 0.026,572 0.018,573 0.014,574 0.01,576 0.426,577 0.33,578 1,579 0.662,580 73.895,581 -0.246,582 0.039,583 -0.004,584 0.05,585 -0.352,586 0.079,587 0.18,588 0.208,589 -0.003,590 0.06,591 0.21,592 0.052,593 -0.182,594 -0.121,595 -0.062,596 -0.095,597 -0.066,598 -0.036,599 -0.001,600 -0.008,601 -0.038,602 0.031,603 -0.089,604 -0.033,605 -0.042,606 -0.348,607 -0.12,608 -0.202,609 0.036,610 -0.199,611 0.036,612 0.079,613 0.09,614 0.035,615 -0.038,616 -0.031,617 0.007,618 -0.208,619 -0.157,620 -0.236,621 0.035,622 -0.301,623 -0.346,624 -0.105,625 -0.151,626 -0.176,627 -0.425,628 -0.255,629 1.383,630 1.668,631 0.833,632 9.556,633 1.014,634 1.108,635 3.07,636 9.424,637 0.858,638 3.045,639 3.401,640 3.714,641 4.025,642 4.234,643 4.248,644 4.29,645 4.344,646 4.263,647 4.159,648 4.058,649 0.77,650 415.04,651 3.045,652 4.595,653 5.468,654 6.372,655 7.266,656 8.174,657 9.076,658 9.986,659 10.892,660 11.802,661 15.4,665 1,669 1,671 2,674 2,675 5,676 2,677 1,680 5,682 16,691 1,698 2,699 26,700 16,701 1,702 20,703 1,704 28,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 8,737 3,738 3,739 6,740 2,741 1,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,780 1,784 1,785 18,786 1,800 2,808 9.333,809 4.686,810 3.889,811 1.385,812 3.232,813 1.492,814 1.079,815 3.19,816 9.806,817 3.367,818 4.073,819 4.755,820 5.428,821 5.981,822 6.314,823 6.724,824 7.159,825 7.364,826 7.639,827 1,828 29,829 6.574,831 2.776,832 7.669,833 12.535,835 10.264,837 2.169,838 39.037,839 0.001,842 58.856,843 120.579,844 129.208,848 56.782,849 109.751,850 58.856,851 83.254,854 70.373,855 45.342,856 39.063,857 15.814,858 92.095,859 45.954,860 58.856,861 147.051,864 102.736,865 58.856,869 30.489,870 82.991,871 33.571,872 102.736,873 58.856,874 83.254,875 109.751,876 56.782,878 58.856,879 17.273,880 103.306,881 62.74,882 66.468,883 58.856,884 83.254,885 109.751,886 56.782,887 0.592,888 0.356,889 0.202,890 0.113,891 16,892 7,893 0.036,894 1,895 1,896 1.133,897 2.957,898 136.979,899 0.133,900 15,901 75.059,904 12.228,905 4.696,906 2.129,907 2.167,908 66.468,909 9.706,910 8.314,911 3.24,914 4.159,916 49.683,917 308.642,918 28,926 26.356,927 28.801,928 0.386,929 0.811,930 0.945,931 0.984,932 0.984,933 0.984,934 4.595,935 0.723,936 5.476,937 2.561,938 4.078,939 4.758,941 6.34,942 3.894,943 5.849,944 0.102,945 7.069,946 1.775,947 3.761,948 4.691,950 7.361,951 3.42,952 7.188,953 -0.319,954 8.765,955 0.225,956 5.714,957 7.101,959 10.51,960 5.423,961 8.567,962 -0.627,963 10.521,964 -0.733,965 6.217,966 7.879,968 12.393,969 5.818,970 9.98,971 -1,972 12.318,973 -1.734,974 7.669,975 9.758,977 15.075,978 7.293,979 11.417,980 -1,981 14.144,982 -2.391,983 8.545,984 10.936,986 17.301,987 8.099,988 12.874,989 -1.295,990 15.991,991 -2.901,992 9.811,993 12.601,995 19.828,996 9.361,997 3.262,998 -1.521,999 17.856,1000 -3.33,1001 10.853,1002 13.968,1004 22.19,1005 10.354,1006 2.781,1007 11.675,1008 19.733,1009 -3.9,1010 12.052,1011 15.546,1013 24.665,1014 11.533,1015 2.151,1016 9.023,1017 21.62,1018 4.64,1019 13.167,1020 17,1022 27.081,1023 12.607,1024 2,1025 5.935,1026 23.515,1027 3.877,1028 14.344,1029 18.544,1031 29.54,1032 13.756,1033 1.837,1034 5.675,1035 25.417,1036 2.895,1037 15.491,1038 20.038,1040 31.979,1041 14.866,1042 1.32,1043 5.202,1044 27.324,1045 2.804,1046 16.663,1047 21.57,1049 34.434,1050 16.005,1051 1,1052 3.292,1053 29.236,1054 2.535,1055 17.825,1056 23.083,1058 36.882,1059 17.131,1060 2479,1061 4904,1062 13.235,1063 22.318,1064 30.661,1065 31.122,1066 32.063,1067 30.671,1068 30.354,1069 42.645,1071 90.728,1072 27.004,1073 5.356,1074 5.373,1075 6.479,1076 5.296,1077 5.262,1078 7.64,1080 19.069,1081 5.127,1082 8.354,1083 1.533,1084 1.556,1085 1.603,1086 1.534,1087 1.518,1088 2.132,1090 4.536,1091 1.35,1092 4.138,1093 4.167,1094 10.695,1095 4.102,1096 5.231,1097 4.073,1098 3.784,1099 3.834,1100 6.881,1101 3.884,1102 4.957,1103 3.684,1104 3.382,1105 3.44,1106 4.047,1107 3.301,1108 4.565,1109 3.251,1110 3.046,1111 3.136,1112 3.676,1113 3.159,1114 4.299,1115 2.896,1116 2.939,1117 2.983,1118 3.246,1119 2.943,1120 3.94,1121 2.843,1122 2.596,1123 2.666,1124 2.808,1125 2.451,1126 3.757,1127 2.425,1128 2.407,1129 2.484,1130 2.686,1131 2.427,1132 3.479,1133 2.243,1134 2.235,1135 2.346,1136 2.399,1137 2.24,1138 3.148,1139 2.006,1140 0.234,1141 0.169,1142 0.347,1143 0.211,1144 0.163,1145 4.688,1146 0.232,1147 3.373,1149 6.935,1150 0.584,1151 4.224,1152 0.156,1153 3.262,1154 4.64,1156 11.675,1157 3.127,1158 1.943,1159 1.928,1160 1.981,1161 2.004,1162 1.174,1163 2.009,1164 1.759,1165 1.721,1166 1.788,1167 1.919,1168 0.881,1169 1.899,1170 1.396,1171 1.337,1172 1.525,1173 1.62,1174 0.534,1175 1.606,1176 1.024,1177 0.966,1178 1.22,1179 1.265,1180 0.28,1181 1.276,1182 0.925,1183 0.849,1184 1.141,1185 1.132,1186 0.059,1187 1.148,1188 0.741,1189 0.704,1190 0.92,1191 0.859,1193 0.913,1194 0.397,1195 0.321,1196 0.614,1197 0.668,1199 0.661,1200 0.142,1201 0.019,1202 0.378,1203 0.357,1205 0.396,1206 3.714,1208 5.056,1209 2.398,1210 6.603,1211 4.727,1212 8.246,1213 6.862,1214 9.94,1215 3.57,1219 2.213,1220 5.668,1231 20.008,1232 47.192,1233 99.092,1234 115.457,1235 120.211,1236 120.211,1237 120.211,1238 18.799,1239 6.574,1240 67.59,1241 67.59,1242 17,1243 12.318,1244 4.087,1245 3.17,1246 25.505,1247 43,1248 38,1249 0.304,1250 139.882,1251 216.46,1252 333.073,1253 5182,1254 7.7,1255 12.698,1256 0.705,1257 0.714,1258 15.198,1259 12.858,1260 8.665,1261 0.433,1262 0.354,1263 5.262,1264 7.227,1265 5.048,1266 4.151,1267 10.108,1268 7.077,1269 8.046,1270 0.277,1271 0.2,1272 9.9,1273 5.806,1274 6.871,1275 0.172,1276 0.103,1277 8.62,1278 4.123,1279 5.931,1280 0.108,1281 0.055,1282 7.48,1283 3.027,1284 4.871,1285 0.072,1286 0.03,1287 6.533,1288 2.037,1289 0.444,1290 75.533,1291 0.275,1292 17.436,1293 0.937,1294 98,1295 277.238,1296 319.469,1297 356.036,1298 472.85,1299 330,1300 118,1301 302.141,1302 219.161,1303 336.515,1304 496.39,1305 317,1306 5.839} {0 CHEMBL1802965,1 1.815,2 6.444,3 3.393,4 11.51,5 83.25,6 15.963,7 0.8,8 3.411,9 3.518,10 3.64,11 3.168,12 4.621,13 3.095,14 3.844,15 3.966,16 4.155,17 3.602,18 5.074,19 3.486,20 4.019,21 4.167,22 4.354,23 3.704,24 5.157,25 3.543,26 3.954,27 4.116,28 4.236,29 3.647,30 5.05,31 3.447,32 3.907,33 4.091,34 4.462,35 3.588,36 5.02,37 3.357,38 3.75,39 3.926,40 4.029,41 3.42,42 4.925,43 3.127,44 3.49,45 3.711,46 4.646,47 3.182,48 4.591,49 2.815,50 3.059,51 3.316,52 3.05,53 2.312,54 4.161,55 2.056,56 0.055,57 0.4,58 9.016,59 1.557,60 6.614,61 1.51,62 0.122,63 0.631,64 18.592,65 2.811,66 12.024,67 3.147,68 0.126,69 0.74,70 46.565,71 6.059,72 12.694,73 4.439,74 0.134,75 0.681,76 32.336,77 4.33,78 12.278,79 4.307,80 0.119,81 0.663,82 43.956,83 6.437,84 12.665,85 5.112,86 0.167,87 0.585,88 77.648,89 8.038,90 14.863,91 4.881,92 0.117,93 0.427,94 78.957,95 5.981,96 13.474,97 3.489,98 0.115,99 0.246,100 30.992,101 3.772,102 11.813,103 2.799,104 10,105 29,106 0.351,107 0.737,108 0.859,109 0.894,110 0.894,111 0.894,112 2.963,113 1.061,114 -4.3,115 -4.24,116 -4,117 1,119 46.2,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 3,161 1,162 1,163 2,164 2,166 3,168 5,172 3,176 2,178 6,182 2,185 1,187 1,190 3,192 1,194 2,199 4,202 1,204 2,206 3,209 1,210 1,211 1,212 1,213 1,215 1,217 1,222 1,224 2,226 1,229 2,234 2,239 2,255 340,256 12.016,257 12.016,258 12.016,259 12.016,260 12.016,261 10.068,262 6.567,263 6.922,264 12.577,265 9.859,266 9.859,267 9.859,268 9.859,269 9.859,270 6.986,271 3.951,272 3.296,273 10.934,274 2.885,275 0.889,276 0.26,277 0.077,278 0.077,279 0.077,280 3.636,284 1,285 249,286 1.871,288 31.833,289 89.244,291 60.372,295 1,296 11.25,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 37.15,307 116,308 4.637,309 3.285,310 6.803,311 4.181,312 3.213,313 4.571,315 11.227,316 3.111,317 4.181,318 2.973,319 6.082,320 3.666,321 2.752,322 3.868,324 8.736,325 2.476,326 3.622,327 2.652,328 5.1,329 3.123,330 2.233,331 3.051,333 6.05,334 1.988,335 3.457,336 2.311,337 4.955,338 2.953,339 2.08,340 2.809,342 5.767,343 1.705,344 3.219,345 1.98,346 4.873,347 2.694,348 1.805,349 2.509,351 5.263,352 1.485,353 2.799,354 1.361,355 4.256,356 2.281,357 1.329,358 1.935,360 3.666,361 1.194,362 2.558,363 1.108,364 3.83,365 1.999,366 1.067,367 1.586,369 2.754,370 0.979,371 2.073,372 0.735,373 3.233,374 1.539,375 0.61,376 0.88,378 1.486,379 0.533,380 1.377,381 0.533,382 2.654,383 0.846,384 0.097,385 0.119,386 0.214,387 0.031,388 0.999,389 0.117,390 2.375,391 0.482,392 -0.344,393 -0.437,394 -0.823,395 -0.193,396 0.687,397 -0.502,398 2.366,399 0.203,400 -0.734,401 -0.941,402 -2.057,403 -0.47,404 0.567,405 -0.736,406 2,407 0.041,408 -0.91,409 -1.229,411 -2.536,412 -0.662,413 0.202,414 -0.875,415 2,416 -0.254,417 -1,418 -1.348,420 -2.757,421 -0.861,422 0.037,423 -1.074,424 1.756,425 -0.514,426 -1.276,427 -1.711,429 -3.216,430 -1.012,431 -0.079,432 -1.36,433 1.323,434 -0.635,435 -1.505,436 -2.038,438 -3.9,439 -1.259,440 10.576,441 0.588,442 0.524,443 0.029,444 26.25,445 1.458,446 14.5,447 0.806,448 11.75,449 0.653,450 14.496,451 0.805,452 16.424,453 0.632,454 13.123,455 0.729,456 4.64,457 0.258,458 4.007,459 0.223,460 0.319,462 0.331,466 1.068,467 0.96,468 0.46,469 0.445,470 1.219,471 0.528,472 0.642,473 0.77,474 0.578,475 0.544,476 0.478,477 0.644,478 1.121,479 1.118,480 1.012,481 1.056,482 0.872,483 1.017,484 0.957,485 0.931,486 0.79,487 0.755,488 1,489 0.943,490 0.782,491 1.202,492 1.184,493 1.225,494 0.723,495 0.998,496 1.041,497 1.126,498 1.926,499 1.904,500 1.194,501 1.544,502 1.454,503 0.91,504 0.938,505 0.953,506 1.553,507 1.021,508 0.924,509 1.133,510 1.086,511 1.156,512 1.248,513 1.341,514 4,516 2.444,517 1.319,518 1.187,519 0.566,520 0.32,521 0.153,522 0.041,524 2549,525 9808,526 2.086,527 30.8,529 3,530 1,531 1,532 3,536 1.592,537 1.929,538 2.768,539 1.251,544 1,545 47.192,546 1.815,547 3.811,548 4.441,549 4.624,550 4.624,551 4.624,552 2.171,553 3.53,554 4.146,555 2.844,556 435.089,557 7.061,558 3996.66,560 1,562 1,563 122.211,564 1.481,565 4.09,566 0.2,568 0.084,569 0.047,570 0.049,571 0.026,572 0.02,573 0.015,574 0.01,576 0.452,577 0.33,578 1,579 0.662,580 74.238,581 -0.246,582 0.039,583 -0.004,584 0.05,585 -0.359,586 0.079,587 0.18,588 0.208,589 -0.003,590 0.06,591 0.242,592 0.052,593 -0.224,594 -0.162,595 -0.085,596 -0.148,597 -0.092,598 -0.138,599 -0.103,600 0.007,601 -0.025,602 0.04,603 -0.189,604 -0.066,605 0.121,606 -0.258,607 -0.025,608 -0.054,609 0.185,610 0.07,611 0.055,612 -0.098,613 -0.297,614 -0.361,615 -0.077,616 -0.412,617 -0.306,618 0.086,619 0.282,620 0.259,621 -0.267,622 0.127,623 0.36,624 -0.246,625 -0.089,626 -0.174,627 0.273,628 -0.077,629 1.38,630 1.663,631 0.833,632 9.778,633 1.014,634 1.108,635 3.07,636 9.424,637 0.858,638 3.045,639 3.401,640 3.689,641 3.989,642 4.234,643 4.248,644 4.304,645 4.369,646 4.248,647 4.205,648 4.157,649 0.77,650 415.04,651 3.045,652 4.595,653 5.46,654 6.358,655 7.246,656 8.148,657 9.045,658 9.949,659 10.85,660 11.754,661 15.4,665 1,669 1,671 2,674 2,675 5,676 2,677 1,680 5,682 16,691 1,698 2,699 26,700 16,701 1,702 20,703 1,704 28,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 8,737 3,738 3,739 6,740 2,741 1,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,780 1,784 1,785 18,786 1,800 2,808 9.333,809 4.686,810 3.861,811 1.378,812 3.217,813 1.489,814 1.079,815 3.19,816 9.791,817 3.367,818 4.073,819 4.735,820 5.403,821 5.985,822 6.322,823 6.737,824 7.173,825 7.352,826 7.671,827 1,828 28,829 6.574,831 2.774,832 7.669,833 12.535,835 10.26,837 2.169,838 39.037,839 0.001,842 58.856,843 120.579,844 129.208,848 56.782,849 109.751,850 58.856,851 83.254,854 70.373,855 45.342,856 39.063,857 15.814,858 92.095,859 45.954,860 58.856,861 147.051,864 102.736,865 58.856,869 30.489,870 82.991,871 33.571,872 102.736,873 58.856,874 83.254,875 109.751,876 56.782,878 58.856,879 17.273,880 103.306,881 62.74,882 66.468,883 58.856,884 83.254,885 109.751,886 56.782,887 0.593,888 0.347,889 0.192,890 0.115,891 16,892 7,893 0.036,894 1,895 1,896 1.133,897 2.979,898 135.871,899 0.133,900 15,901 75.059,904 12.228,905 4.696,906 2.242,907 2.182,908 66.468,909 9.772,910 8.305,911 3.235,914 4.183,916 49.683,917 308.642,918 28,926 26.356,927 28.801,928 0.386,929 0.811,930 0.945,931 0.984,932 0.984,933 0.984,934 4.595,935 0.61,936 5.468,937 2.754,938 4.078,939 4.758,941 6.312,942 3.894,943 5.849,944 0.097,945 7.048,946 1.486,947 3.761,948 4.691,950 7.273,951 3.42,952 7.185,953 -0.344,954 8.727,955 0.214,956 5.7,957 7.089,959 10.399,960 5.417,961 8.558,962 -0.734,963 10.464,964 -0.823,965 6.176,966 7.84,968 12.209,969 5.8,970 9.962,971 -0.91,972 12.239,973 -2.057,974 7.623,975 9.717,977 14.869,978 7.275,979 11.389,980 -1,981 14.042,982 -2.536,983 8.465,984 10.861,986 17.032,987 8.068,988 12.834,989 -1.276,990 15.866,991 -2.757,992 9.724,993 12.522,995 19.532,996 9.328,997 3.213,998 -1.505,999 17.707,1000 -3.216,1001 10.737,1002 13.859,1004 21.841,1005 10.311,1006 2.752,1007 11.227,1008 19.561,1009 -3.9,1010 11.924,1011 15.428,1013 24.283,1014 11.486,1015 2.233,1016 8.736,1017 21.426,1018 4.571,1019 13.015,1020 16.857,1022 26.653,1023 12.552,1024 2.08,1025 6.05,1026 23.3,1027 3.868,1028 14.178,1029 18.389,1031 29.076,1032 13.697,1033 1.805,1034 5.767,1035 25.18,1036 3.051,1037 15.305,1038 19.861,1040 31.471,1041 14.8,1042 1.329,1043 5.263,1044 27.066,1045 2.809,1046 16.461,1047 21.379,1049 33.889,1050 15.935,1051 1.067,1052 3.666,1053 28.956,1054 2.509,1055 17.605,1056 22.873,1058 36.296,1059 17.054,1060 2526,1061 5039,1062 13.235,1063 22.318,1064 30.689,1065 31.023,1066 31.866,1067 30.71,1068 30.372,1069 42.658,1071 90.326,1072 27.002,1073 5.305,1074 5.285,1075 6.15,1076 5.253,1077 5.213,1078 7.571,1080 18.574,1081 5.111,1082 8.493,1083 1.534,1084 1.551,1085 1.593,1086 1.536,1087 1.519,1088 2.133,1090 4.516,1091 1.35,1092 4.137,1093 4.168,1094 10.695,1095 4.098,1096 5.231,1097 4.07,1098 3.784,1099 3.834,1100 6.88,1101 3.884,1102 4.958,1103 3.686,1104 3.388,1105 3.436,1106 4.064,1107 3.345,1108 4.565,1109 3.279,1110 3.044,1111 3.137,1112 3.674,1113 3.165,1114 4.308,1115 2.878,1116 2.929,1117 2.99,1118 3.166,1119 2.859,1120 3.931,1121 2.813,1122 2.589,1123 2.671,1124 2.838,1125 2.447,1126 3.689,1127 2.401,1128 2.423,1129 2.474,1130 2.723,1131 2.405,1132 3.47,1133 2.302,1134 2.235,1135 2.347,1136 2.491,1137 2.33,1138 3.305,1139 2.004,1140 0.232,1141 0.164,1142 0.34,1143 0.209,1144 0.161,1145 4.637,1146 0.229,1147 3.285,1149 6.803,1150 0.561,1151 4.181,1152 0.156,1153 3.213,1154 4.571,1156 11.227,1157 3.111,1158 1.944,1159 1.927,1160 1.983,1161 2.007,1162 1.171,1163 2.011,1164 1.758,1165 1.721,1166 1.786,1167 1.917,1168 0.881,1169 1.898,1170 1.397,1171 1.336,1172 1.532,1173 1.624,1174 0.536,1175 1.609,1176 1.015,1177 0.974,1178 1.193,1179 1.255,1180 0.248,1181 1.268,1182 0.924,1183 0.849,1184 1.124,1185 1.105,1186 0.099,1187 1.124,1188 0.755,1189 0.693,1190 0.974,1191 0.916,1193 0.96,1194 0.394,1195 0.323,1196 0.618,1197 0.653,1199 0.652,1200 0.142,1201 0.019,1202 0.42,1203 0.361,1205 0.401,1206 3.714,1208 5.056,1209 2.398,1210 6.594,1211 4.727,1212 8.225,1213 6.843,1214 9.905,1215 3.484,1219 2.213,1220 5.663,1231 20.008,1232 47.192,1233 99.092,1234 115.457,1235 120.211,1236 120.211,1237 120.211,1238 18.512,1239 6.574,1240 67.59,1241 67.59,1242 17,1243 12.273,1244 4.087,1245 3.17,1246 25.548,1247 44,1248 39,1249 0.296,1250 139.882,1251 216.46,1252 333.073,1253 5184,1254 7.7,1255 12.698,1256 0.705,1257 0.714,1258 15.198,1259 12.858,1260 8.648,1261 0.432,1262 0.354,1263 5.256,1264 7.179,1265 5.04,1266 4.142,1267 10.091,1268 7.071,1269 8.143,1270 0.281,1271 0.203,1272 10.072,1273 5.895,1274 6.801,1275 0.174,1276 0.101,1277 8.401,1278 3.944,1279 5.696,1280 0.107,1281 0.052,1282 6.959,1283 2.77,1284 4.932,1285 0.073,1286 0.031,1287 6.647,1288 2.087,1289 0.436,1290 75.432,1291 0.275,1292 17.52,1293 0.901,1294 98,1295 277.238,1296 319.469,1297 356.172,1298 472.23,1299 330,1300 117,1301 301.141,1302 212.508,1303 335.651,1304 492.75,1305 316,1306 6.481} {0 CHEMBL1802966,1 1.815,2 7,3 3.393,4 11.51,5 83.25,6 15.963,7 0.8,8 3.411,9 3.518,10 3.64,11 3.168,12 4.621,13 3.095,14 3.844,15 3.966,16 4.155,17 3.602,18 5.074,19 3.486,20 4.019,21 4.167,22 4.354,23 3.704,24 5.155,25 3.543,26 3.954,27 4.115,28 4.251,29 3.633,30 5.063,31 3.439,32 3.906,33 4.091,34 4.376,35 3.579,36 5.011,37 3.339,38 3.738,39 3.934,40 3.871,41 3.374,42 4.876,43 3.08,44 3.484,45 3.714,46 3.58,47 2.97,48 4.579,49 2.696,50 3.056,51 3.321,52 4.475,53 2.688,54 4.065,55 2.268,56 0.055,57 0.4,58 9.016,59 1.557,60 6.614,61 1.51,62 0.122,63 0.631,64 18.592,65 2.811,66 12.024,67 3.147,68 0.126,69 0.74,70 46.565,71 6.059,72 12.668,73 4.439,74 0.145,75 0.677,76 31.657,77 4.366,78 12.344,79 4.304,80 0.112,81 0.667,82 48.371,83 6.534,84 12.778,85 5.119,86 0.148,87 0.596,88 71.906,89 7.756,90 14.566,91 4.874,92 0.128,93 0.431,94 40.604,95 5.151,96 13.737,97 3.476,98 0.087,99 0.249,100 64.946,101 4.375,102 11.221,103 2.809,104 10,105 29,106 0.351,107 0.737,108 0.859,109 0.894,110 0.894,111 0.894,112 2.963,113 1.061,114 -4.3,115 -4.24,116 -4,117 1,119 46.2,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 3,161 1,162 1,163 2,164 2,166 3,168 6,172 3,176 1,178 5,182 2,185 1,187 3,190 2,192 1,194 3,199 3,202 2,204 2,206 1,209 1,210 1,211 1,212 1,213 2,215 1,217 3,222 2,226 2,237 1,242 1,247 1,252 1,255 338,256 12.016,257 12.016,258 12.016,259 12.016,260 12.016,261 10.068,262 6.567,263 6.92,264 12.577,265 9.859,266 9.859,267 9.859,268 9.859,269 9.859,270 6.986,271 3.951,272 3.292,273 10.934,274 2.885,275 0.889,276 0.26,277 0.077,278 0.077,279 0.077,280 3.636,284 1,285 271,286 1.871,288 31.833,289 89.45,291 60.372,295 1.111,296 11.206,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 37.15,307 126,308 4.635,309 3.28,310 6.8,311 4.179,312 3.21,313 4.568,315 11.209,316 3.11,317 4.186,318 2.98,319 6.084,320 3.671,321 2.757,322 3.874,324 8.751,325 2.479,326 3.658,327 2.664,328 5.196,329 3.158,330 2.265,331 3.104,333 6.314,334 2.002,335 3.422,336 2.311,337 4.92,338 2.918,339 2.056,340 2.746,342 5.642,343 1.662,344 3.144,345 1.912,346 4.765,347 2.618,348 1.721,349 2.42,351 4.952,352 1.484,353 2.902,354 1.476,355 4.296,356 2.385,357 1.44,358 2.078,360 3.876,361 1.24,362 2.546,363 1.075,364 3.85,365 1.988,366 1.052,367 1.569,369 2.781,370 0.973,371 2.05,372 0.677,373 3.218,374 1.516,375 0.579,376 0.843,378 1.4,379 0.517,380 1.375,381 0.549,382 2.66,383 0.845,384 0.099,385 0.12,386 0.217,387 0.031,388 0.966,389 0.123,390 2.374,391 0.451,392 -0.37,393 -0.464,394 -0.904,395 -0.202,396 0.757,397 -0.497,398 2.366,399 0.271,400 -0.666,401 -0.881,402 -1.888,403 -0.47,404 0.55,405 -0.698,406 2,407 0.019,408 -0.931,409 -1.196,411 -2.386,412 -0.623,413 0.193,414 -0.905,415 2,416 -0.261,417 -1,418 -1.39,420 -2.837,421 -0.877,422 -0.013,423 -1.087,424 1.756,425 -0.541,426 -1.314,427 -1.754,429 -3.305,430 -1.029,431 -0.035,432 -1.357,433 1.323,434 -0.609,435 -1.482,436 -2.022,438 -3.9,439 -1.257,440 10.576,441 0.588,442 0.524,443 0.029,444 26.25,445 1.458,446 14.5,447 0.806,448 11.75,449 0.653,450 14.366,451 0.798,452 16.424,453 0.632,454 13.164,455 0.731,456 4.64,457 0.258,458 4.007,459 0.223,460 0.319,462 0.331,466 1.068,467 0.96,468 0.46,469 0.445,470 1.219,471 0.528,472 0.642,473 0.77,474 0.578,475 0.544,476 0.478,477 0.644,478 1.121,479 1.118,480 1.012,481 1.056,482 0.881,483 1.017,484 0.838,485 0.99,486 0.786,487 0.787,488 0.933,489 0.977,490 0.951,491 1.184,492 1.213,493 1.247,494 0.812,495 1.071,496 1.031,497 1.065,498 1.75,499 1.784,500 1.223,501 1.45,502 1.207,503 1.071,504 1.23,505 1.282,506 1.44,507 1.261,508 1.391,509 0.694,510 0.432,511 0.418,512 1.697,513 0.702,514 4,516 2.444,517 1.444,518 1.187,519 0.566,520 0.318,521 0.186,522 0.082,523 0.016,524 2585,525 10088,526 2.086,527 30.8,529 3,530 1,531 1,532 3,536 1.591,537 1.929,538 2.834,539 1.251,544 1,545 47.192,546 1.815,547 3.811,548 4.441,549 4.624,550 4.624,551 4.624,552 2.308,553 3.837,554 4.144,555 2.911,556 445.434,557 7.051,558 4047.15,560 1,562 1,563 122.211,564 1.481,565 4.09,566 0.2,568 0.084,569 0.052,570 0.049,571 0.027,572 0.021,573 0.021,574 0.016,575 0.008,576 0.478,577 0.33,578 1,579 0.662,580 74.468,581 -0.246,582 0.039,583 -0.004,584 0.05,585 -0.359,586 0.079,587 0.18,588 0.208,589 -0.003,590 0.06,591 0.242,592 0.052,593 -0.224,594 -0.162,595 -0.085,596 -0.148,597 -0.101,598 -0.138,599 0.021,600 -0.054,601 -0.021,602 0.006,603 -0.12,604 -0.101,605 -0.055,606 -0.24,607 -0.056,608 -0.077,609 0.092,610 -0.006,611 -0.017,612 -0.023,613 -0.25,614 -0.281,615 -0.117,616 -0.317,617 -0.103,618 -0.075,619 -0.11,620 -0.112,621 -0.155,622 -0.123,623 -0.126,624 0.21,625 0.591,626 0.594,627 -0.194,628 0.587,629 1.378,630 1.659,631 0.833,632 10.222,633 1.014,634 1.108,635 3.07,636 9.424,637 0.858,638 3.045,639 3.401,640 3.689,641 3.989,642 4.22,643 4.248,644 4.317,645 4.382,646 4.263,647 4.159,648 4.247,649 0.77,650 415.04,651 3.045,652 4.595,653 5.46,654 6.358,655 7.245,656 8.147,657 9.043,658 9.946,659 10.846,660 11.75,661 15.4,665 1,669 1,671 2,674 2,675 5,676 2,677 1,680 5,682 16,691 1,698 2,699 26,700 16,701 1,702 20,703 1,704 28,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 8,737 3,738 3,739 6,740 2,741 1,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,780 1,784 1,785 18,786 1,800 2,808 9.333,809 4.686,810 3.861,811 1.378,812 3.221,813 1.49,814 1.079,815 3.19,816 9.794,817 3.367,818 4.073,819 4.735,820 5.403,821 5.977,822 6.322,823 6.749,824 7.179,825 7.355,826 7.647,827 0.8,828 28,829 6.573,831 2.773,832 7.669,833 12.535,835 10.26,837 2.169,838 39.037,839 0.001,842 58.856,843 120.579,844 129.208,848 56.782,849 109.751,850 58.856,851 83.254,854 70.373,855 45.342,856 39.063,857 15.814,858 92.095,859 45.954,860 58.856,861 147.051,864 102.736,865 58.856,869 30.489,870 82.991,871 33.571,872 102.736,873 58.856,874 83.254,875 109.751,876 56.782,878 58.856,879 17.273,880 103.306,881 62.74,882 66.468,883 58.856,884 83.254,885 109.751,886 56.782,887 0.593,888 0.347,889 0.192,890 0.112,891 16,892 7,893 0.036,894 1,895 1,896 1.133,897 2.988,898 135.484,899 0.133,900 15,901 75.059,904 12.228,905 4.696,906 2.242,907 2.182,908 66.468,909 9.782,910 8.3,911 3.24,914 4.204,916 49.683,917 308.642,918 28,926 26.356,927 28.801,928 0.386,929 0.811,930 0.945,931 0.984,932 0.984,933 0.984,934 4.595,935 0.579,936 5.468,937 2.781,938 4.078,939 4.758,941 6.312,942 3.894,943 5.849,944 0.099,945 7.048,946 1.4,947 3.761,948 4.691,950 7.273,951 3.42,952 7.185,953 -0.37,954 8.727,955 0.217,956 5.7,957 7.089,959 10.398,960 5.417,961 8.558,962 -0.666,963 10.464,964 -0.904,965 6.176,966 7.84,968 12.207,969 5.8,970 9.962,971 -0.931,972 12.239,973 -1.888,974 7.623,975 9.717,977 14.865,978 7.275,979 11.389,980 -1,981 14.042,982 -2.386,983 8.465,984 10.861,986 17.026,987 8.068,988 12.834,989 -1.314,990 15.866,991 -2.837,992 9.723,993 12.522,995 19.523,996 9.328,997 3.21,998 -1.482,999 17.706,1000 -3.305,1001 10.736,1002 13.858,1004 21.83,1005 10.31,1006 2.757,1007 11.209,1008 19.56,1009 -3.9,1010 11.922,1011 15.426,1013 24.271,1014 11.485,1015 2.265,1016 8.751,1017 21.425,1018 4.568,1019 13.012,1020 16.854,1022 26.638,1023 12.55,1024 2.056,1025 6.314,1026 23.297,1027 3.874,1028 14.173,1029 18.386,1031 29.059,1032 13.695,1033 1.721,1034 5.642,1035 25.177,1036 3.104,1037 15.299,1038 19.857,1040 31.452,1041 14.797,1042 1.44,1043 4.952,1044 27.062,1045 2.746,1046 16.454,1047 21.375,1049 33.868,1050 15.931,1051 1.052,1052 3.876,1053 28.952,1054 2.42,1055 17.597,1056 22.867,1058 36.273,1059 17.05,1060 2560,1061 5138,1062 13.235,1063 22.318,1064 30.684,1065 30.995,1066 31.859,1067 30.703,1068 30.361,1069 42.644,1071 90.288,1072 26.994,1073 5.302,1074 5.28,1075 6.123,1076 5.25,1077 5.21,1078 7.568,1080 18.568,1081 5.11,1082 8.574,1083 1.534,1084 1.55,1085 1.593,1086 1.535,1087 1.518,1088 2.132,1090 4.514,1091 1.35,1092 4.137,1093 4.168,1094 10.695,1095 4.097,1096 5.231,1097 4.07,1098 3.784,1099 3.834,1100 6.88,1101 3.884,1102 4.958,1103 3.687,1104 3.388,1105 3.436,1106 4.064,1107 3.348,1108 4.565,1109 3.279,1110 3.043,1111 3.137,1112 3.672,1113 3.163,1114 4.306,1115 2.872,1116 2.93,1117 2.989,1118 3.169,1119 2.841,1120 3.928,1121 2.813,1122 2.594,1123 2.668,1124 2.861,1125 2.488,1126 3.718,1127 2.441,1128 2.415,1129 2.478,1130 2.713,1131 2.444,1132 3.477,1133 2.265,1134 2.235,1135 2.346,1136 2.44,1137 2.257,1138 3.234,1139 2.004,1140 0.232,1141 0.164,1142 0.34,1143 0.209,1144 0.161,1145 4.635,1146 0.228,1147 3.28,1149 6.8,1150 0.56,1151 4.179,1152 0.155,1153 3.21,1154 4.568,1156 11.209,1157 3.11,1158 1.944,1159 1.927,1160 1.984,1161 2.007,1162 1.17,1163 2.011,1164 1.758,1165 1.721,1166 1.781,1167 1.915,1168 0.881,1169 1.896,1170 1.397,1171 1.336,1172 1.54,1173 1.629,1174 0.537,1175 1.614,1176 1.016,1177 0.973,1178 1.2,1179 1.257,1180 0.251,1181 1.27,1182 0.923,1183 0.85,1184 1.099,1185 1.088,1186 0.094,1187 1.107,1188 0.754,1189 0.694,1190 0.985,1191 0.921,1193 0.969,1194 0.396,1195 0.322,1196 0.617,1197 0.66,1199 0.655,1200 0.142,1201 0.019,1202 0.432,1203 0.361,1205 0.401,1206 3.714,1208 5.056,1209 2.398,1210 6.594,1211 4.727,1212 8.225,1213 6.843,1214 9.904,1215 3.457,1219 2.214,1220 5.659,1231 20.008,1232 47.192,1233 99.092,1234 115.457,1235 120.211,1236 120.211,1237 120.211,1238 18.478,1239 6.574,1240 67.59,1241 67.59,1242 17,1243 12.27,1244 4.087,1245 3.17,1246 25.604,1247 45,1248 46,1249 0.291,1250 139.882,1251 216.46,1252 333.073,1253 5184,1254 7.7,1255 12.698,1256 0.705,1257 0.714,1258 15.198,1259 12.858,1260 8.648,1261 0.432,1262 0.354,1263 5.256,1264 7.179,1265 5.04,1266 4.142,1267 10.091,1268 7.071,1269 8.143,1270 0.281,1271 0.203,1272 10.072,1273 5.895,1274 6.794,1275 0.174,1276 0.101,1277 8.394,1278 3.944,1279 5.743,1280 0.108,1281 0.052,1282 7.037,1283 2.776,1284 4.851,1285 0.072,1286 0.03,1287 6.47,1288 2.019,1289 0.432,1290 75.432,1291 0.275,1292 17.588,1293 0.876,1294 98,1295 277.238,1296 319.469,1297 356.172,1298 472.23,1299 330,1300 117,1301 301.141,1302 212.508,1303 335.651,1304 492.75,1305 316,1306 7.469} {0 CHEMBL1802967,1 1.815,2 6.444,3 3.393,4 11.51,5 83.25,6 15.963,7 0.8,8 3.411,9 3.518,10 3.64,11 3.168,12 4.622,13 3.095,14 3.844,15 3.966,16 4.155,17 3.602,18 5.067,19 3.486,20 4.02,21 4.167,22 4.442,23 3.712,24 5.166,25 3.557,26 3.962,27 4.11,28 4.334,29 3.694,30 5.092,31 3.488,32 3.906,33 4.091,34 4.298,35 3.555,36 4.995,37 3.312,38 3.739,39 3.934,40 4.009,41 3.385,42 4.899,43 3.103,44 3.49,45 3.711,46 4.646,47 3.182,48 4.591,49 2.815,50 3.059,51 3.316,52 3.05,53 2.312,54 4.161,55 2.056,56 0.055,57 0.4,58 9.016,59 1.557,60 6.616,61 1.51,62 0.122,63 0.631,64 18.592,65 2.811,66 12.023,67 3.147,68 0.133,69 0.736,70 42.15,71 5.962,72 12.628,73 4.433,74 0.141,75 0.672,76 38.756,77 4.576,78 12.38,79 4.316,80 0.117,81 0.667,82 52.106,83 6.668,84 12.841,85 5.122,86 0.154,87 0.593,88 67.492,89 7.659,90 14.65,91 4.867,92 0.117,93 0.427,94 78.957,95 5.981,96 13.474,97 3.489,98 0.115,99 0.246,100 30.992,101 3.772,102 11.813,103 2.799,104 10,105 29,106 0.351,107 0.737,108 0.859,109 0.894,110 0.894,111 0.894,112 2.963,113 1.062,114 -4.3,115 -4.24,116 -4,117 1,119 46.2,133 3,134 2,135 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 4,161 1,162 1,163 2,164 2,166 2,168 4,172 3,176 3,178 5,182 2,185 1,187 2,190 4,192 1,194 2,199 3,202 1,204 2,206 3,209 1,210 1,211 1,212 1,213 1,215 1,217 1,222 1,224 2,226 1,229 2,234 2,239 2,255 334,256 12.069,257 12.069,258 12.069,259 12.069,260 12.069,261 10.101,262 6.567,263 6.943,264 12.597,265 9.843,266 9.843,267 9.843,268 9.843,269 9.843,270 6.965,271 3.951,272 3.263,273 10.878,274 2.885,275 0.889,276 0.26,277 0.077,278 0.077,279 0.077,280 3.636,284 1,285 249,286 1.871,288 31.017,289 88.843,291 59.906,295 1,296 11.291,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 37.15,307 116,308 4.669,309 3.337,310 6.859,311 4.204,312 3.24,313 4.622,315 11.405,316 3.119,317 4.222,318 3.062,319 6.253,320 3.715,321 2.811,322 3.902,324 9.218,325 2.496,326 3.642,327 2.525,328 5.424,329 3.158,330 2.25,331 3.082,333 6.616,334 2.012,335 3.369,336 2.309,337 4.918,338 2.849,339 2,340 2.676,342 5.584,343 1.579,344 3.049,345 1.72,346 4.543,347 2.525,348 1.553,349 2.323,351 4.218,352 1.505,353 2.891,354 1.543,355 4.091,356 2.379,357 1.482,358 2.045,360 3.667,361 1.21,362 2.5,363 1,364 3.847,365 1.953,366 1,367 1.5,369 2.647,370 0.95,371 2.192,372 0.933,373 3.296,374 1.637,375 0.747,376 1.061,378 1.799,379 0.606,380 1.374,381 0.572,382 2.662,383 0.842,384 0.101,385 0.122,386 0.221,387 0.031,388 1.06,389 0.094,390 2.367,391 0.52,392 -0.302,393 -0.391,394 -0.687,395 -0.176,396 0.749,397 -0.494,398 2.366,399 0.295,400 -0.652,401 -0.85,402 -1.772,403 -0.47,404 0.5,405 -0.7,406 2,407 -0.03,408 -1,409 -1.207,411 -2.384,412 -0.623,413 0.19,414 -1,415 2,416 -0.266,417 -1,418 -1.5,420 -2.901,421 -0.964,422 0.016,423 -1.041,424 1.754,425 -0.52,426 -1.324,427 -1.753,429 -3.378,430 -0.979,431 -0.095,432 -1.356,433 1.323,434 -0.659,435 -1.493,436 -2.017,438 -3.9,439 -1.257,440 10.576,441 0.588,442 0.507,443 0.028,444 26.25,445 1.458,446 14.5,447 0.806,448 11.75,449 0.653,450 14.619,451 0.812,452 16.424,453 0.632,454 13.078,455 0.727,456 4.656,457 0.259,458 4.009,459 0.223,460 0.319,462 0.331,466 1.068,467 0.96,468 0.46,469 0.445,470 1.212,471 0.528,472 0.642,473 0.77,474 0.578,475 0.544,476 0.52,477 0.644,478 0.968,479 1.134,480 0.986,481 1.036,482 0.784,483 0.951,484 1.084,485 0.921,486 0.936,487 0.818,488 0.997,489 0.984,490 0.996,491 1.228,492 1.238,493 1.303,494 0.898,495 1.18,496 0.828,497 1.086,498 1.715,499 1.758,500 1.064,501 1.362,502 1.454,503 0.91,504 0.938,505 0.953,506 1.553,507 1.021,508 0.924,509 1.133,510 1.086,511 1.156,512 1.248,513 1.341,514 3.5,516 2.667,517 1.472,518 1.152,519 0.486,520 0.32,521 0.153,522 0.041,524 2533,525 9704,526 2.086,527 30.8,529 3,530 1,531 1,532 3,536 1.592,537 1.929,538 2.762,539 1.251,544 1,545 47.192,546 1.815,547 3.811,548 4.441,549 4.624,550 4.624,551 4.624,552 2.171,553 3.614,554 4.146,555 2.839,556 434.425,557 7.061,558 3975.37,560 1,562 1,563 122.211,564 1.481,565 4.09,566 0.175,568 0.092,569 0.051,570 0.046,571 0.024,572 0.02,573 0.015,574 0.01,576 0.434,577 0.33,578 1,579 0.662,580 74.146,581 -0.246,582 0.039,583 -0.004,584 0.05,585 -0.352,586 0.079,587 0.18,588 0.208,589 -0.003,590 0.06,591 0.199,592 0.052,593 -0.065,594 -0.179,595 -0.057,596 -0.127,598 -0.069,599 -0.17,600 0.009,601 -0.067,602 0.009,603 -0.177,604 -0.106,605 -0.102,606 -0.286,607 -0.081,608 -0.135,609 0.003,610 -0.119,611 0.194,612 -0.045,613 -0.214,614 -0.253,615 0.048,616 -0.225,617 -0.306,618 0.086,619 0.282,620 0.259,621 -0.267,622 0.127,623 0.36,624 -0.246,625 -0.089,626 -0.174,627 0.273,628 -0.077,629 1.38,630 1.663,631 0.833,632 9.778,633 1.014,634 1.108,635 3.07,636 9.424,637 0.858,638 3.045,639 3.401,640 3.714,641 4.007,642 4.22,643 4.248,644 4.317,645 4.382,646 4.248,647 4.159,648 4.137,649 0.77,650 415.04,651 3.045,652 4.595,653 5.468,654 6.368,655 7.262,656 8.167,657 9.068,658 9.974,659 10.879,660 11.786,661 15.4,665 1,669 1,671 2,674 2,675 5,676 2,677 1,680 5,682 16,691 1,698 2,699 26,700 16,701 1,702 20,703 1,704 28,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 8,737 3,738 3,739 6,740 2,741 1,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,780 1,784 1,785 18,786 1,800 2,808 9.333,809 4.686,810 3.889,811 1.385,812 3.243,813 1.493,814 1.079,815 3.19,816 9.816,817 3.367,818 4.073,819 4.755,820 5.418,821 5.973,822 6.317,823 6.742,824 7.179,825 7.353,826 7.643,827 1,828 29,829 6.574,831 2.775,832 7.669,833 12.535,835 10.264,837 2.169,838 39.037,839 0.001,842 58.856,843 120.579,844 129.208,848 56.782,849 109.751,850 58.856,851 83.254,854 70.373,855 45.342,856 39.063,857 15.814,858 92.095,859 45.954,860 58.856,861 147.051,864 102.736,865 58.856,869 30.489,870 82.991,871 33.571,872 102.736,873 58.856,874 83.254,875 109.751,876 56.782,878 58.856,879 17.273,880 103.306,881 62.74,882 66.468,883 58.856,884 83.254,885 109.751,886 56.782,887 0.593,888 0.357,889 0.197,890 0.11,891 16,892 7,893 0.036,894 1,895 1,896 1.133,897 2.967,898 136.42,899 0.133,900 15,901 75.059,904 12.228,905 4.696,906 2.129,907 2.167,908 66.468,909 9.734,910 8.305,911 3.25,914 4.179,916 49.683,917 308.642,918 28,926 26.356,927 28.801,928 0.386,929 0.811,930 0.945,931 0.984,932 0.984,933 0.984,934 4.595,935 0.747,936 5.476,937 2.647,938 4.078,939 4.758,941 6.337,942 3.894,943 5.849,944 0.101,945 7.069,946 1.799,947 3.761,948 4.691,950 7.345,951 3.42,952 7.188,953 -0.302,954 8.764,955 0.221,956 5.714,957 7.101,959 10.484,960 5.422,961 8.567,962 -0.652,963 10.519,964 -0.687,965 6.217,966 7.879,968 12.336,969 5.816,970 9.98,971 -1,972 12.312,973 -1.772,974 7.666,975 9.756,977 15.003,978 7.29,979 11.416,980 -1,981 14.133,982 -2.384,983 8.536,984 10.93,986 17.19,987 8.092,988 12.871,989 -1.324,990 15.974,991 -2.901,992 9.798,993 12.592,995 19.699,996 9.351,997 3.24,998 -1.493,999 17.829,1000 -3.378,1001 10.831,1002 13.953,1004 22.023,1005 10.339,1006 2.811,1007 11.405,1008 19.696,1009 -3.9,1010 12.023,1011 15.527,1013 24.476,1014 11.515,1015 2.25,1016 9.218,1017 21.573,1018 4.622,1019 13.128,1020 16.974,1022 26.858,1023 12.585,1024 2,1025 6.616,1026 23.456,1027 3.902,1028 14.297,1029 18.514,1031 29.293,1032 13.731,1033 1.553,1034 5.584,1035 25.345,1036 3.082,1037 15.434,1038 20.002,1040 31.7,1041 14.836,1042 1.482,1043 4.218,1044 27.239,1045 2.676,1046 16.598,1047 21.529,1049 34.13,1050 15.973,1051 1,1052 3.667,1053 29.137,1054 2.323,1055 17.75,1056 23.036,1058 36.55,1059 17.094,1060 2513,1061 5003,1062 13.235,1063 22.318,1064 30.669,1065 31.149,1066 32.063,1067 30.681,1068 30.37,1069 42.665,1071 90.754,1072 27.014,1073 5.336,1074 5.337,1075 6.388,1076 5.276,1077 5.24,1078 7.622,1080 18.883,1081 5.119,1082 8.45,1083 1.533,1084 1.557,1085 1.603,1086 1.534,1087 1.518,1088 2.133,1090 4.538,1091 1.351,1092 4.138,1093 4.167,1094 10.695,1095 4.101,1096 5.231,1097 4.073,1098 3.784,1099 3.834,1100 6.881,1101 3.886,1102 4.956,1103 3.687,1104 3.381,1105 3.441,1106 4.048,1107 3.309,1108 4.565,1109 3.251,1110 3.045,1111 3.136,1112 3.669,1113 3.156,1114 4.296,1115 2.893,1116 2.939,1117 2.983,1118 3.251,1119 2.937,1120 3.938,1121 2.844,1122 2.593,1123 2.668,1124 2.812,1125 2.448,1126 3.761,1127 2.409,1128 2.413,1129 2.48,1130 2.686,1131 2.391,1132 3.478,1133 2.265,1134 2.235,1135 2.346,1136 2.436,1137 2.292,1138 3.204,1139 2.006,1140 0.233,1141 0.167,1142 0.343,1143 0.21,1144 0.162,1145 4.669,1146 0.231,1147 3.337,1149 6.859,1150 0.57,1151 4.204,1152 0.156,1153 3.24,1154 4.622,1156 11.405,1157 3.119,1158 1.944,1159 1.928,1160 1.985,1161 2.005,1162 1.172,1163 2.01,1164 1.757,1165 1.721,1166 1.778,1167 1.913,1168 0.881,1169 1.894,1170 1.397,1171 1.336,1172 1.535,1173 1.63,1174 0.535,1175 1.614,1176 1.024,1177 0.966,1178 1.22,1179 1.266,1180 0.281,1181 1.277,1182 0.925,1183 0.849,1184 1.143,1185 1.13,1186 0.061,1187 1.147,1188 0.741,1189 0.703,1190 0.917,1191 0.859,1193 0.912,1194 0.396,1195 0.322,1196 0.615,1197 0.662,1199 0.658,1200 0.142,1201 0.019,1202 0.377,1203 0.358,1205 0.397,1206 3.714,1208 5.056,1209 2.398,1210 6.603,1211 4.727,1212 8.244,1213 6.862,1214 9.934,1215 3.525,1219 2.213,1220 5.663,1231 20.008,1232 47.192,1233 99.092,1234 115.457,1235 120.211,1236 120.211,1237 120.211,1238 18.763,1239 6.574,1240 67.59,1241 67.59,1242 17,1243 12.304,1244 4.087,1245 3.17,1246 25.554,1247 44,1248 38,1249 0.298,1250 139.882,1251 216.46,1252 333.073,1253 5182,1254 7.7,1255 12.698,1256 0.705,1257 0.714,1258 15.198,1259 12.858,1260 8.665,1261 0.433,1262 0.354,1263 5.262,1264 7.232,1265 5.048,1266 4.151,1267 10.108,1268 7.077,1269 8.036,1270 0.277,1271 0.2,1272 9.89,1273 5.806,1274 6.931,1275 0.173,1276 0.103,1277 8.723,1278 4.133,1279 5.859,1280 0.109,1281 0.054,1282 7.302,1283 2.914,1284 4.806,1285 0.072,1286 0.03,1287 6.393,1288 1.997,1289 0.439,1290 75.533,1291 0.275,1292 17.495,1293 0.909,1294 98,1295 277.238,1296 319.469,1297 356.036,1298 472.85,1299 330,1300 118,1301 302.141,1302 220.269,1303 336.516,1304 496.35,1305 317,1306 7.409} {0 CHEMBL1802968,1 1.625,2 9.308,3 4.073,4 16.588,5 106.381,6 9.934,7 0.759,8 3.833,9 3.941,10 3.649,11 3.492,12 5.037,13 3.468,14 4.296,15 4.431,16 4.081,17 3.894,18 5.496,19 3.85,20 4.51,21 4.661,22 4.225,23 4.034,24 5.681,25 3.966,26 4.553,27 4.711,28 4.305,29 4.04,30 5.725,31 3.956,32 4.594,33 4.798,34 4.086,35 3.965,36 5.676,37 3.874,38 4.49,39 4.693,40 4.13,41 3.909,42 5.599,43 3.83,44 4.45,45 4.635,46 4.183,47 3.864,48 5.63,49 3.767,50 4.428,51 4.651,52 3.78,53 3.705,54 5.583,55 3.551,56 0.046,57 0.583,58 4.4,59 3.124,60 8.607,61 3.622,62 0.13,63 0.926,64 9.42,65 5.571,66 17.368,67 6.755,68 0.175,69 1.095,70 18.007,71 7.448,72 29.982,73 8.349,74 0.193,75 1.15,76 19.956,77 7.873,78 28.202,79 8.985,80 0.249,81 1.203,82 31.866,83 8.797,84 35.345,85 10.305,86 0.215,87 1.143,88 17.103,89 7.157,90 26.931,91 8.69,92 0.203,93 1.05,94 21.092,95 6.981,96 26.577,97 8.009,98 0.316,99 0.977,100 33.854,101 8.24,102 45.359,103 9.461,104 18,105 42,106 0.28,107 0.638,108 0.778,109 0.844,110 0.861,111 0.861,112 3.305,113 0.914,114 -4.61,115 -4.53,116 -4.26,117 1,119 48.8,120 1,133 7,134 5,135 1,136 1,137 1,141 1,142 1,143 1,146 1,152 1,153 1,154 1,159 10,161 1,162 5,163 2,164 2,166 3,168 15,172 5,176 1,178 14,182 7,185 1,187 5,190 8,192 2,194 9,199 3,202 8,204 2,206 4,209 1,210 1,211 4,212 1,213 8,215 2,217 3,222 7,224 8,226 5,228 2,229 4,234 3,237 9,239 2,242 1,250 6,255 1020,256 17.499,257 17.499,258 17.499,259 17.499,260 17.499,261 14.779,262 7.234,263 10.08,264 17.793,265 14.287,266 14.287,267 14.287,268 14.287,269 14.287,270 10.211,271 5.017,272 4.736,273 14.832,274 3.733,275 1.651,276 0.839,277 0.457,278 0.36,279 0.36,280 4,284 1,285 526,286 2.739,288 47.909,289 215.122,291 92.295,295 1.408,296 21.415,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.75,307 242,308 4.704,309 3.544,310 6.974,311 4.265,312 3.291,313 4.647,314 1.277,315 11.846,316 3.206,317 4.357,318 3.364,319 6.476,320 3.93,321 2.951,322 4.071,324 10.038,325 2.896,326 4.096,327 3.012,328 5.924,329 3.722,330 2.715,331 3.657,333 8.189,334 2.725,335 3.695,336 2.501,337 5.602,338 3.282,339 2.322,340 3.086,342 7.195,343 2.228,344 3.502,345 2.394,346 5.042,347 3.057,348 2.125,349 2.872,351 5.93,352 1.976,353 3.412,354 2.143,355 5.016,356 2.869,357 1.98,358 2.796,360 5.672,361 1.66,362 3.068,363 1.941,364 4.577,365 2.59,366 1.586,367 2.287,369 4.339,370 1.588,371 2.804,372 1.457,373 4.052,374 2.313,375 1.321,376 1.918,378 3.27,379 1.303,380 2.607,381 1.246,382 3.781,383 2.1,384 1.09,385 1.59,386 2.707,387 1.094,388 2.5,389 1,390 3.698,391 2,392 1,393 1.5,394 2.555,395 1,396 2.5,397 1,398 3.414,399 1.953,400 1,401 1.5,402 2.275,403 0.95,404 2.165,405 0.917,406 3.311,407 1.612,408 0.714,409 1.02,411 1.768,412 0.596,413 1.304,414 0.351,415 2.778,416 0.913,417 -0.032,418 -0.041,420 -0.078,421 -0.029,422 1.044,423 0.154,424 2.417,425 0.5,426 -0.319,427 -0.411,429 -0.734,430 -0.189,431 0.827,432 0.011,433 2.365,434 0.382,435 -0.596,436 -0.761,438 -1.409,439 -0.572,440 13.267,441 0.51,442 0.716,443 0.028,444 38.5,445 1.481,446 22,447 0.846,448 16.5,449 0.635,450 19.83,451 0.763,452 25.133,453 0.613,454 26.947,455 1.036,456 7.434,457 0.286,458 5.108,459 0.196,460 0.193,462 0.377,466 0.788,467 1.01,468 0.479,469 0.681,470 0.742,471 0.708,472 0.587,473 0.854,474 0.556,475 0.732,476 0.533,477 0.766,478 1.122,479 1.021,480 0.915,481 0.897,482 1.085,483 0.916,484 0.949,485 1.157,486 1.049,487 1.086,488 0.93,489 1.08,490 0.967,491 1.118,492 1.092,493 1.072,494 0.826,495 1.017,496 0.798,497 0.977,498 0.688,499 0.768,500 0.589,501 0.842,502 0.945,503 1.207,504 1.149,505 1.165,506 0.778,507 1.139,508 1.042,509 1.01,510 1.548,511 1.279,512 1.054,513 1.235,514 5,515 0.131,516 3.556,517 2,518 1.534,519 0.976,520 0.816,521 0.411,522 0.243,523 0.209,524 7322,525 22553,526 2.101,527 36.6,529 7,530 1,531 1,532 3,533 3,536 1.696,537 1.95,538 3.176,539 0.936,541 1,545 66.618,546 1.625,547 3.707,548 4.518,549 4.9,550 4.998,551 4.998,552 2.687,553 4.287,554 4.67,555 3.339,556 1085.22,557 8.124,558 13015.1,560 1,562 1,563 219.66,564 1.46,565 4.624,566 0.172,567 0.011,568 0.085,569 0.045,570 0.037,571 0.026,572 0.021,573 0.012,574 0.011,575 0.014,576 0.434,577 0.33,578 1,579 0.777,580 124.623,581 -0.11,582 0.044,583 -0.004,584 0.067,585 -0.147,586 0.068,587 0.133,588 0.164,589 0.033,590 0.082,591 0.093,592 0.079,593 -0.172,594 -0.038,595 -0.034,596 0.019,597 -0.112,598 -0.02,599 -0.042,600 -0.171,601 -0.023,602 -0.132,603 -0.08,604 -0.166,605 -0.075,606 -0.131,607 -0.072,608 -0.088,609 -0.063,610 -0.031,611 0.007,612 0.073,613 0.058,614 0.12,615 0.014,616 0.094,617 -0.051,618 -0.186,619 -0.012,620 -0.182,621 -0.008,622 -0.198,623 0.018,624 -0.058,625 -0.164,626 -0.167,627 0.009,628 -0.18,629 1.633,630 4.525,631 0.808,632 20.225,633 1.006,634 1.111,635 3.38,636 11.424,637 0.741,638 3.401,639 3.761,640 4.078,641 4.382,642 4.635,643 4.771,644 4.92,645 5.017,646 5.081,647 5.159,648 5.608,649 0.707,650 407.29,651 3.401,652 4.963,653 5.838,654 6.739,655 7.635,656 8.543,657 9.447,658 10.359,659 11.268,660 12.182,661 9.8,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,686 1,691 1,698 1,699 41,700 23,701 2,702 29,703 1,704 44,705 20,706 18,707 5,708 7,709 1,710 4,711 5,715 1,721 19,722 1,724 1,728 1,731 1,733 1,736 15,737 4,738 3,739 6,740 1,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,780 1,781 1,785 26,786 1,800 1,801 2.4,804 1,808 13.333,809 7.793,810 5.611,811 2.322,812 4.57,813 1.599,814 1.051,815 4.251,816 12.198,817 3.738,818 4.422,819 5.096,820 5.758,821 6.345,822 6.752,823 7.243,824 7.688,825 8.041,826 8.455,827 1,828 44,829 9.541,831 4.099,832 7.766,833 18.085,835 14.964,837 2.266,838 58.917,841 1,842 141.253,843 123.558,844 129.208,846 25.145,849 169.512,850 166.398,851 83.254,852 8.825,854 108.278,855 75.621,856 46.96,857 15.814,858 117.711,859 45.954,860 141.253,861 206.811,862 25.145,864 45.954,865 141.253,866 25.145,869 39.314,870 133.926,871 33.571,872 45.954,873 141.253,874 108.399,875 169.512,878 141.253,879 30.304,880 93.254,881 62.74,882 91.613,883 141.253,884 108.399,885 169.512,887 0.592,888 0.352,889 0.193,890 0.107,891 22,892 10,893 0.068,894 3,895 1,896 1.095,897 3.674,898 232.596,899 0.095,900 21,901 118.211,904 16.8,905 6.58,906 3.028,907 2.039,908 91.613,909 17.036,910 8.664,911 3.274,914 5.309,916 49.683,917 419.164,918 41,922 11.525,925 0.033,926 41.265,927 45.535,928 0.303,929 0.692,930 0.843,931 0.915,932 0.933,933 0.933,934 4.973,935 1.321,936 5.844,937 4.339,938 4.443,939 5.109,940 1.45,941 6.703,942 4.376,943 6.221,944 1.09,945 7.434,946 3.27,947 4.111,948 4.997,950 7.716,951 4.01,952 7.553,953 1,954 9.127,955 2.707,956 6.08,957 7.415,958 1.845,959 10.85,960 5.972,961 8.925,962 1,963 10.879,964 2.555,965 6.567,966 8.144,968 12.715,969 6.438,970 10.329,971 0.714,972 12.671,973 2.275,974 8.025,975 10.028,976 2.271,977 15.383,978 7.885,979 11.757,980 -0.032,981 14.491,982 1.768,983 8.879,984 11.16,986 17.593,987 8.72,988 13.203,989 -0.319,990 16.331,991 -0.078,992 10.144,993 12.823,994 2.72,995 20.113,996 9.968,997 3.291,998 -0.596,999 18.187,1000 -0.734,1001 11.168,1002 14.154,1004 22.465,1005 10.969,1006 2.951,1007 11.846,1008 20.056,1009 -1.409,1010 12.361,1011 15.726,1012 3.184,1013 24.938,1014 12.142,1015 2.715,1016 10.038,1017 21.934,1018 4.647,1019 13.463,1020 17.155,1022 27.351,1023 13.217,1024 2.322,1025 8.189,1026 23.821,1027 4.071,1028 14.633,1029 18.692,1030 3.658,1031 29.811,1032 14.364,1033 2.125,1034 7.195,1035 25.715,1036 3.657,1037 15.771,1038 20.168,1040 32.251,1041 15.475,1042 1.98,1043 5.93,1044 27.614,1045 3.086,1046 16.938,1047 21.693,1048 4.138,1049 34.71,1050 16.615,1051 1.586,1052 5.672,1053 29.518,1054 2.872,1055 18.094,1056 23.193,1058 37.163,1059 17.743,1060 7036,1061 12454,1062 19.304,1063 30.398,1064 44.891,1065 45.288,1066 46.215,1067 44.383,1068 44.189,1069 61.887,1070 2.555,1071 131.568,1072 42.444,1073 5.428,1074 5.544,1075 6.518,1076 5.337,1077 5.291,1078 7.647,1079 2.555,1080 19.435,1081 5.206,1082 13.101,1083 1.548,1084 1.562,1085 1.594,1086 1.53,1087 1.524,1088 2.134,1089 0.088,1090 4.537,1091 1.464,1092 4.151,1093 4.179,1094 6.881,1095 4.085,1096 7.428,1097 4.085,1098 3.959,1099 3.984,1100 4.08,1101 3.899,1102 5.234,1103 3.897,1104 3.732,1105 3.778,1106 3.899,1107 3.59,1108 4.959,1109 3.608,1110 3.398,1111 3.445,1112 3.685,1113 3.264,1114 4.726,1115 3.26,1116 3.38,1117 3.44,1118 3.294,1119 3.195,1120 4.494,1121 3.208,1122 3.024,1123 3.114,1124 3.246,1125 2.943,1126 4.298,1127 2.888,1128 2.937,1129 2.984,1130 2.876,1131 2.773,1132 3.94,1133 2.78,1134 2.854,1135 2.925,1136 2.719,1137 2.735,1138 3.783,1139 2.715,1140 0.162,1141 0.122,1142 0.24,1143 0.147,1144 0.113,1145 4.704,1146 0.16,1147 3.544,1148 0.044,1149 6.974,1150 0.408,1151 4.265,1152 0.111,1153 3.291,1154 4.647,1155 1.277,1156 11.846,1157 3.206,1158 1.989,1159 1.971,1160 2.058,1161 2.066,1162 1.205,1163 2.064,1164 1.911,1165 1.892,1166 1.974,1167 1.984,1168 1.126,1169 1.991,1170 1.708,1171 1.67,1172 1.799,1173 1.878,1174 0.856,1175 1.859,1176 1.411,1177 1.36,1178 1.636,1179 1.624,1180 0.678,1181 1.617,1182 1.34,1183 1.279,1184 1.524,1185 1.579,1186 0.515,1187 1.586,1188 1.023,1189 0.966,1190 1.238,1191 1.27,1192 0.282,1193 1.274,1194 0.932,1195 0.853,1196 1.181,1197 1.138,1198 0.218,1199 1.152,1200 0.886,1201 0.821,1202 1.162,1203 1.062,1204 0.075,1205 1.107,1206 4.078,1208 5.425,1209 2.398,1210 6.973,1211 4.727,1212 8.612,1213 6.862,1214 10.301,1215 3.617,1216 1.552,1220 5.869,1231 28.986,1232 66.618,1233 151.969,1234 185.253,1235 200.905,1236 204.905,1237 204.905,1238 37.299,1239 7.628,1240 84.66,1241 84.66,1242 23,1243 12.695,1244 4.585,1245 3.7,1246 37.799,1247 84,1248 96,1249 0.218,1250 183.93,1251 304.55,1252 440.548,1253 20995,1254 2.4,1255 18.259,1256 0.702,1257 0.598,1258 19.259,1259 15.54,1260 12.542,1261 0.432,1262 0.305,1263 8.018,1264 11.689,1265 7.751,1266 6.42,1267 13.119,1268 8.835,1269 11.652,1270 0.277,1271 0.163,1272 12.393,1273 6.843,1274 9.933,1275 0.171,1276 0.086,1277 10.607,1278 4.981,1279 8.524,1280 0.108,1281 0.046,1282 9.248,1283 3.603,1284 6.936,1285 0.068,1286 0.023,1287 7.486,1288 2.366,1289 0.331,1290 85.804,1291 0.228,1292 24.538,1293 0.632,1294 142,1295 395.325,1296 216.663,1297 431.612,1298 588.63,1299 402,1300 171,1301 416.468,1302 213.239,1303 439.835,1304 645.83,1305 415,1306 5.678} {0 CHEMBL1802969,1 1.625,2 9.346,3 4.073,4 16.588,5 106.381,6 9.934,7 0.759,8 3.833,9 3.941,10 3.649,11 3.492,12 5.036,13 3.468,14 4.296,15 4.431,16 4.081,17 3.894,18 5.499,19 3.85,20 4.51,21 4.661,22 4.133,23 4.019,24 5.683,25 3.952,26 4.547,27 4.714,28 4.091,29 4.001,30 5.699,31 3.921,32 4.59,33 4.801,34 4.166,35 3.962,36 5.666,37 3.878,38 4.493,39 4.691,40 4.057,41 3.892,42 5.616,43 3.814,44 4.444,45 4.639,46 4.03,47 3.846,48 5.582,49 3.748,50 4.427,51 4.653,52 4.052,53 3.708,54 5.604,55 3.572,56 0.046,57 0.583,58 4.4,59 3.124,60 8.603,61 3.622,62 0.13,63 0.926,64 9.42,65 5.571,66 17.336,67 6.755,68 0.181,69 1.095,70 20.905,71 7.512,72 30.137,73 8.37,74 0.177,75 1.16,76 17.353,77 7.637,78 28.229,79 8.937,80 0.23,81 1.209,82 21.415,83 8.277,84 34.803,85 10.162,86 0.242,87 1.137,88 24.624,89 7.359,90 27.539,91 8.739,92 0.167,93 1.063,94 14.744,95 6.769,96 25.923,97 7.974,98 0.328,99 0.975,100 25.974,101 7.704,102 45.388,103 9.291,104 18,105 42,106 0.28,107 0.638,108 0.778,109 0.844,110 0.861,111 0.861,112 3.305,113 0.913,114 -4.61,115 -4.53,116 -4.26,117 1,119 48.8,120 1,133 7,134 5,135 1,136 1,137 1,141 1,142 1,143 1,146 1,152 1,153 1,154 1,159 10,161 1,162 5,163 2,164 2,166 3,168 15,172 5,176 2,178 14,182 8,185 1,187 3,190 9,192 2,194 7,199 4,202 7,204 2,206 6,209 1,210 1,211 5,212 1,213 9,215 3,217 1,222 5,224 7,226 3,228 2,229 5,234 4,237 8,239 3,242 1,250 6,255 1032,256 17.447,257 17.447,258 17.447,259 17.447,260 17.447,261 14.747,262 7.234,263 10.045,264 17.772,265 14.297,266 14.297,267 14.297,268 14.297,269 14.297,270 10.23,271 5.017,272 4.758,273 14.888,274 3.733,275 1.651,276 0.839,277 0.457,278 0.36,279 0.36,280 4,284 1,285 528,286 2.739,288 48.725,289 216.262,291 92.762,295 1.45,296 21.26,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.75,307 243,308 4.66,309 3.544,310 6.878,311 4.235,312 3.253,313 4.581,314 1.277,315 11.521,316 3.197,317 4.336,318 3.268,319 6.361,320 3.904,321 2.917,322 4.06,324 9.696,325 2.888,326 4.094,327 2.971,328 5.92,329 3.716,330 2.709,331 3.657,333 8.177,334 2.721,335 3.703,336 2.676,337 5.57,338 3.29,339 2.332,340 3.097,342 7.158,343 2.23,344 3.62,345 2.44,346 5.042,347 3.123,348 2.232,349 3.046,351 6.017,352 1.988,353 3.401,354 2.142,355 4.954,356 2.912,357 1.996,358 2.751,360 5.755,361 1.705,362 3.063,363 1.928,364 4.637,365 2.582,366 1.58,367 2.282,369 4.492,370 1.575,371 2.812,372 1.454,373 4.202,374 2.314,375 1.329,376 1.932,378 3.559,379 1.303,380 2.616,381 1.264,382 3.854,383 2.107,384 1.102,385 1.609,386 2.81,387 1.098,388 2.555,389 1.099,390 3.702,391 2,392 1.06,393 1.571,394 2.657,395 1,396 2.5,397 1,398 3.414,399 1.995,400 1,401 1.5,402 2.275,403 0.978,404 2.064,405 0.689,406 3.233,407 1.535,408 0.594,409 0.863,411 1.468,412 0.539,413 1.309,414 0.349,415 2.77,416 0.915,417 -0.031,418 -0.039,420 -0.074,421 -0.028,422 1.004,423 0.166,424 2.415,425 0.488,426 -0.344,427 -0.437,429 -0.824,430 -0.205,431 0.821,432 0.011,433 2.375,434 0.381,435 -0.6,436 -0.774,438 -1.411,439 -0.583,440 13.267,441 0.51,442 0.733,443 0.028,444 38.5,445 1.481,446 22,447 0.846,448 16.5,449 0.635,450 19.517,451 0.751,452 25.133,453 0.613,454 27.012,455 1.039,456 7.418,457 0.285,458 5.107,459 0.196,460 0.193,462 0.377,466 0.788,467 1.01,468 0.479,469 0.681,470 0.744,471 0.708,472 0.587,473 0.854,474 0.556,475 0.732,476 0.524,477 0.766,478 1.143,479 1.049,480 0.978,481 0.983,482 1.093,483 0.984,484 0.965,485 1.153,486 0.75,487 1.02,488 0.955,489 1.099,490 0.873,491 1.073,492 0.627,493 0.823,494 0.789,495 0.868,496 0.803,497 1.057,498 0.968,499 1.004,500 0.588,501 0.982,502 1.002,503 1.13,504 0.763,505 0.946,506 0.851,507 1.063,508 0.828,509 1.022,510 1.147,511 1.104,512 0.941,513 1.086,514 5.5,515 0.11,516 3.556,517 1.819,518 1.489,519 1.056,520 0.713,521 0.438,522 0.301,523 0.204,524 7410,525 23129,526 2.101,527 36.6,529 7,530 1,531 1,532 3,533 3,536 1.696,537 1.95,538 3.196,539 0.936,541 1,545 66.618,546 1.625,547 3.707,548 4.518,549 4.9,550 4.998,551 4.998,552 2.687,553 4.287,554 4.669,555 3.363,556 1092.82,557 8.121,558 13164.7,560 1,562 1,563 219.66,564 1.46,565 4.624,566 0.19,567 0.009,568 0.085,569 0.042,570 0.037,571 0.027,572 0.019,573 0.014,574 0.012,575 0.013,576 0.448,577 0.33,578 1,579 0.777,580 124.918,581 -0.11,582 0.044,583 -0.004,584 0.067,585 -0.149,586 0.068,587 0.133,588 0.164,589 0.033,590 0.082,591 0.103,592 0.079,593 -0.193,594 -0.067,595 -0.098,596 -0.07,597 -0.12,598 -0.09,599 -0.094,600 -0.162,601 -0.057,602 -0.152,603 -0.107,604 -0.197,605 -0.012,606 -0.08,607 0.082,608 0.086,609 -0.028,610 0.109,611 0.021,612 -0.011,613 -0.048,614 -0.076,615 0.016,616 -0.043,617 -0.148,618 -0.102,619 0.005,620 -0.053,621 -0.086,622 -0.134,623 0.218,624 -0.068,625 0.055,626 -0.037,627 0.122,628 -0.034,629 1.633,630 4.52,631 0.808,632 20.828,633 1.006,634 1.111,635 3.38,636 11.424,637 0.741,638 3.401,639 3.761,640 4.06,641 4.357,642 4.635,643 4.771,644 4.913,645 5.03,646 5.075,647 5.165,648 5.683,649 0.707,650 407.29,651 3.401,652 4.963,653 5.832,654 6.73,655 7.621,656 8.525,657 9.426,658 10.333,659 11.238,660 12.148,661 9.8,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,686 1,691 1,698 1,699 41,700 23,701 2,702 29,703 1,704 44,705 20,706 18,707 5,708 7,709 1,710 4,711 5,715 1,721 19,722 1,724 1,728 1,731 1,733 1,736 15,737 4,738 3,739 6,740 1,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,780 1,781 1,785 26,786 1,800 1,801 2.4,804 1,808 13.333,809 7.793,810 5.583,811 2.315,812 4.555,813 1.597,814 1.051,815 4.251,816 12.182,817 3.738,818 4.422,819 5.082,820 5.74,821 6.348,822 6.757,823 7.244,824 7.696,825 8.034,826 8.464,827 1,828 43,829 9.54,831 4.096,832 7.766,833 18.085,835 14.959,837 2.266,838 58.917,841 1,842 141.253,843 123.558,844 129.208,846 25.145,849 169.512,850 166.398,851 83.254,852 8.825,854 108.278,855 75.621,856 46.96,857 15.814,858 117.711,859 45.954,860 141.253,861 206.811,862 25.145,864 45.954,865 141.253,866 25.145,869 39.314,870 133.926,871 33.571,872 45.954,873 141.253,874 108.399,875 169.512,878 141.253,879 30.304,880 93.254,881 62.74,882 91.613,883 141.253,884 108.399,885 169.512,887 0.593,888 0.346,889 0.186,890 0.109,891 22,892 10,893 0.068,894 3,895 1,896 1.095,897 3.694,898 231.25,899 0.095,900 21,901 118.211,904 16.8,905 6.58,906 3.14,907 2.053,908 91.613,909 17.103,910 8.655,911 3.269,914 5.347,916 49.683,917 419.164,918 41,922 11.52,925 0.034,926 41.265,927 45.535,928 0.303,929 0.692,930 0.843,931 0.915,932 0.933,933 0.933,934 4.973,935 1.329,936 5.838,937 4.492,938 4.443,939 5.109,940 1.45,941 6.683,942 4.376,943 6.221,944 1.102,945 7.42,946 3.559,947 4.111,948 4.997,950 7.656,951 4.01,952 7.551,953 1.06,954 9.101,955 2.81,956 6.071,957 7.407,958 1.845,959 10.772,960 5.969,961 8.919,962 1,963 10.84,964 2.657,965 6.538,966 8.114,968 12.585,969 6.428,970 10.316,971 0.594,972 12.616,973 2.275,974 7.993,975 9.997,976 2.271,977 15.236,978 7.875,979 11.736,980 -0.031,981 14.42,982 1.468,983 8.823,984 11.1,986 17.4,987 8.703,988 13.174,989 -0.344,990 16.244,991 -0.074,992 10.082,993 12.761,994 2.72,995 19.898,996 9.95,997 3.253,998 -0.6,999 18.083,1000 -0.824,1001 11.084,1002 14.065,1004 22.212,1005 10.946,1006 2.917,1007 11.521,1008 19.935,1009 -1.411,1010 12.269,1011 15.629,1012 3.184,1013 24.66,1014 12.117,1015 2.709,1016 9.696,1017 21.796,1018 4.581,1019 13.351,1020 17.034,1022 27.039,1023 13.188,1024 2.332,1025 8.177,1026 23.667,1027 4.06,1028 14.511,1029 18.559,1030 3.658,1031 29.474,1032 14.333,1033 2.232,1034 7.158,1035 25.544,1036 3.657,1037 15.633,1038 20.015,1040 31.883,1041 15.439,1042 1.996,1043 6.017,1044 27.427,1045 3.097,1046 16.788,1047 21.526,1048 4.138,1049 34.316,1050 16.577,1051 1.58,1052 5.755,1053 29.315,1054 3.046,1055 17.93,1056 23.008,1058 36.739,1059 17.702,1060 7117,1061 12677,1062 19.304,1063 30.398,1064 44.916,1065 45.201,1066 46.018,1067 44.421,1068 44.207,1069 61.901,1070 2.555,1071 131.17,1072 42.446,1073 5.384,1074 5.544,1075 6.292,1076 5.307,1077 5.253,1078 7.581,1079 2.555,1080 19.071,1081 5.197,1082 13.224,1083 1.549,1084 1.559,1085 1.587,1086 1.532,1087 1.524,1088 2.135,1089 0.088,1090 4.523,1091 1.464,1092 4.15,1093 4.18,1094 6.88,1095 4.08,1096 7.428,1097 4.082,1098 3.959,1099 3.984,1100 4.094,1101 3.899,1102 5.235,1103 3.897,1104 3.732,1105 3.778,1106 3.903,1107 3.595,1108 4.96,1109 3.61,1110 3.4,1111 3.445,1112 3.683,1113 3.306,1114 4.726,1115 3.285,1116 3.385,1117 3.436,1118 3.293,1119 3.199,1120 4.494,1121 3.212,1122 3.022,1123 3.115,1124 3.166,1125 2.863,1126 4.306,1127 2.849,1128 2.928,1129 2.991,1130 2.88,1131 2.767,1132 3.931,1133 2.771,1134 2.854,1135 2.925,1136 2.784,1137 2.735,1138 3.782,1139 2.715,1140 0.161,1141 0.122,1142 0.237,1143 0.146,1144 0.112,1145 4.66,1146 0.158,1147 3.544,1148 0.044,1149 6.878,1150 0.397,1151 4.235,1152 0.11,1153 3.253,1154 4.581,1155 1.277,1156 11.521,1157 3.197,1158 1.989,1159 1.971,1160 2.059,1161 2.067,1162 1.203,1163 2.065,1164 1.911,1165 1.892,1166 1.974,1167 1.984,1168 1.125,1169 1.991,1170 1.707,1171 1.67,1172 1.797,1173 1.878,1174 0.856,1175 1.858,1176 1.412,1177 1.359,1178 1.637,1179 1.627,1180 0.678,1181 1.62,1182 1.34,1183 1.279,1184 1.531,1185 1.579,1186 0.517,1187 1.587,1188 1.013,1189 0.974,1190 1.226,1191 1.261,1192 0.25,1193 1.267,1194 0.93,1195 0.853,1196 1.181,1197 1.109,1198 0.218,1199 1.126,1200 0.886,1201 0.821,1202 1.129,1203 1.062,1204 0.101,1205 1.107,1206 4.078,1208 5.425,1209 2.398,1210 6.967,1211 4.727,1212 8.598,1213 6.843,1214 10.276,1215 3.52,1216 1.552,1220 5.863,1231 28.986,1232 66.618,1233 151.969,1234 185.253,1235 200.905,1236 204.905,1237 204.905,1238 36.907,1239 7.628,1240 84.66,1241 84.66,1242 23,1243 12.664,1244 4.585,1245 3.7,1246 37.814,1247 85,1248 96,1249 0.215,1250 183.93,1251 304.55,1252 440.548,1253 20997,1254 2.4,1255 18.259,1256 0.702,1257 0.598,1258 19.259,1259 15.54,1260 12.525,1261 0.432,1262 0.304,1263 8.012,1264 11.642,1265 7.742,1266 6.411,1267 13.102,1268 8.829,1269 11.748,1270 0.28,1271 0.165,1272 12.565,1273 6.932,1274 9.863,1275 0.173,1276 0.084,1277 10.387,1278 4.802,1279 8.288,1280 0.108,1281 0.043,1282 8.727,1283 3.346,1284 6.991,1285 0.069,1286 0.024,1287 7.572,1288 2.406,1289 0.327,1290 85.703,1291 0.228,1292 24.6,1293 0.62,1294 142,1295 395.325,1296 216.663,1297 431.748,1298 588.01,1299 402,1300 170,1301 415.468,1302 206.586,1303 438.971,1304 642.19,1305 414,1306 5.073} {0 CHEMBL1802970,1 1.625,2 9.846,3 4.073,4 16.588,5 106.381,6 9.934,7 0.759,8 3.833,9 3.941,10 3.649,11 3.492,12 5.036,13 3.468,14 4.296,15 4.431,16 4.081,17 3.894,18 5.499,19 3.85,20 4.51,21 4.661,22 4.133,23 4.019,24 5.682,25 3.952,26 4.548,27 4.714,28 4.11,29 3.992,30 5.705,31 3.916,32 4.589,33 4.801,34 4.049,35 3.956,36 5.661,37 3.867,38 4.487,39 4.695,40 3.904,41 3.864,42 5.591,43 3.791,44 4.442,45 4.64,46 3.928,47 3.805,48 5.586,49 3.718,50 4.421,51 4.657,52 3.875,53 3.687,54 5.555,55 3.55,56 0.046,57 0.583,58 4.4,59 3.124,60 8.603,61 3.622,62 0.13,63 0.926,64 9.42,65 5.571,66 17.336,67 6.755,68 0.181,69 1.095,70 20.905,71 7.512,72 30.103,73 8.37,74 0.192,75 1.157,76 18.199,77 7.547,78 28.304,79 8.904,80 0.221,81 1.212,82 23.467,83 8.431,84 34.94,85 10.216,86 0.221,87 1.147,88 19.122,89 7.058,90 27.198,91 8.671,92 0.181,93 1.064,94 14.712,95 6.517,96 26.299,97 7.9,98 0.291,99 0.987,100 19.627,101 7.493,102 44.733,103 9.256,104 18,105 42,106 0.28,107 0.638,108 0.778,109 0.844,110 0.861,111 0.861,112 3.305,113 0.913,114 -4.61,115 -4.53,116 -4.26,117 1,119 48.8,120 1,133 7,134 5,135 1,136 1,137 1,141 1,142 1,143 1,146 1,152 1,153 1,154 1,159 10,161 1,162 5,163 2,164 2,166 3,168 16,172 5,176 1,178 13,182 8,185 1,187 5,190 8,192 2,194 8,199 3,202 9,204 2,206 4,209 1,210 1,211 5,212 1,213 8,215 3,217 3,222 6,224 8,226 4,228 2,229 3,234 2,237 7,239 1,242 2,247 1,250 5,252 1,255 1038,256 17.447,257 17.447,258 17.447,259 17.447,260 17.447,261 14.747,262 7.234,263 10.043,264 17.772,265 14.297,266 14.297,267 14.297,268 14.297,269 14.297,270 10.23,271 5.017,272 4.753,273 14.888,274 3.733,275 1.651,276 0.839,277 0.457,278 0.36,279 0.36,280 4,284 1,285 556,286 2.739,288 48.725,289 216.634,291 92.762,295 1.396,296 21.175,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.75,307 256,308 4.658,309 3.544,310 6.876,311 4.234,312 3.251,313 4.578,314 1.277,315 11.509,316 3.196,317 4.337,318 3.263,319 6.359,320 3.904,321 2.917,322 4.063,324 9.686,325 2.888,326 4.096,327 2.977,328 5.92,329 3.717,330 2.711,331 3.659,333 8.18,334 2.721,335 3.719,336 2.692,337 5.59,338 3.304,339 2.349,340 3.133,342 7.249,343 2.235,344 3.646,345 2.437,346 5.1,347 3.153,348 2.256,349 3.068,351 6.173,352 2.002,353 3.311,354 2.118,355 4.885,356 2.83,357 1.913,358 2.615,360 5.465,361 1.672,362 3.053,363 1.893,364 4.583,365 2.557,366 1.565,367 2.289,369 4.408,370 1.539,371 2.896,372 1.501,373 4.243,374 2.399,375 1.421,376 2.043,378 3.734,379 1.365,380 2.619,381 1.319,382 3.874,383 2.116,384 1.103,385 1.605,386 2.843,387 1.106,388 2.543,389 1.069,390 3.702,391 2,392 1.047,393 1.56,394 2.658,395 1,396 2.5,397 1,398 3.414,399 1.985,400 1,401 1.5,402 2.275,403 0.973,404 2.043,405 0.639,406 3.218,407 1.512,408 0.566,409 0.829,411 1.384,412 0.521,413 1.307,414 0.351,415 2.774,416 0.915,417 -0.031,418 -0.04,420 -0.076,421 -0.029,422 0.97,423 0.179,424 2.417,425 0.455,426 -0.369,427 -0.464,429 -0.903,430 -0.211,431 0.823,432 0.011,433 2.373,434 0.381,435 -0.6,436 -0.771,438 -1.411,439 -0.578,440 13.267,441 0.51,442 0.733,443 0.028,444 38.5,445 1.481,446 22,447 0.846,448 16.5,449 0.635,450 19.371,451 0.745,452 25.133,453 0.613,454 27.027,455 1.039,456 7.418,457 0.285,458 5.107,459 0.196,460 0.193,462 0.377,466 0.788,467 1.01,468 0.479,469 0.681,470 0.744,471 0.708,472 0.587,473 0.854,474 0.556,475 0.732,476 0.524,477 0.766,478 1.143,479 1.049,480 0.978,481 0.983,482 1.095,483 0.984,484 0.91,485 1.191,486 0.739,487 1.07,488 0.936,489 1.12,490 0.945,491 1.063,492 0.694,493 0.854,494 0.812,495 0.91,496 0.799,497 1.024,498 0.587,499 0.847,500 0.596,501 0.932,502 0.919,503 1.191,504 0.578,505 0.993,506 0.819,507 1.109,508 0.886,509 0.945,510 0.755,511 0.882,512 1.015,513 1.009,514 5.5,515 0.106,516 3.556,517 1.944,518 1.489,519 1.056,520 0.752,521 0.401,522 0.342,523 0.249,524 7482,525 23601,526 2.101,527 36.6,529 7,530 1,531 1,532 3,533 3,536 1.695,537 1.95,538 3.247,539 0.936,541 1,545 66.618,546 1.625,547 3.707,548 4.518,549 4.9,550 4.998,551 4.998,552 2.68,553 4.258,554 4.668,555 3.396,556 1103.74,557 8.116,558 13285.8,560 1,562 1,563 219.66,564 1.46,565 4.624,566 0.19,567 0.008,568 0.085,569 0.045,570 0.037,571 0.028,572 0.021,573 0.013,574 0.014,575 0.014,576 0.455,577 0.33,578 1,579 0.777,580 125.153,581 -0.11,582 0.044,583 -0.004,584 0.067,585 -0.149,586 0.068,587 0.133,588 0.164,589 0.033,590 0.082,591 0.103,592 0.079,593 -0.193,594 -0.067,595 -0.098,596 -0.07,597 -0.123,598 -0.09,599 -0.038,600 -0.201,601 -0.046,602 -0.203,603 -0.088,604 -0.219,605 -0.085,606 -0.07,607 0.013,608 0.054,609 -0.051,610 0.067,611 -0.012,612 0.028,613 -0.019,614 -0.007,615 0.005,616 -0.005,617 -0.083,618 -0.161,619 0.005,620 -0.149,621 -0.054,622 -0.188,623 0.119,624 0.017,625 0.073,626 0.094,627 0.044,628 0.031,629 1.632,630 4.516,631 0.808,632 21.515,633 1.006,634 1.111,635 3.38,636 11.424,637 0.741,638 3.401,639 3.761,640 4.06,641 4.357,642 4.625,643 4.771,644 4.92,645 5.024,646 5.094,647 5.159,648 5.759,649 0.707,650 407.29,651 3.401,652 4.963,653 5.832,654 6.73,655 7.62,656 8.525,657 9.424,658 10.331,659 11.235,660 12.145,661 9.8,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,686 1,691 1,698 1,699 41,700 23,701 2,702 29,703 1,704 44,705 20,706 18,707 5,708 7,709 1,710 4,711 5,715 1,721 19,722 1,724 1,728 1,731 1,733 1,736 15,737 4,738 3,739 6,740 1,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,780 1,781 1,785 26,786 1,800 1,801 2.4,804 1,808 13.333,809 7.793,810 5.583,811 2.315,812 4.558,813 1.598,814 1.051,815 4.251,816 12.186,817 3.738,818 4.422,819 5.082,820 5.74,821 6.342,822 6.757,823 7.252,824 7.693,825 8.043,826 8.461,827 0.857,828 43,829 9.539,831 4.095,832 7.766,833 18.085,835 14.959,837 2.266,838 58.917,841 1,842 141.253,843 123.558,844 129.208,846 25.145,849 169.512,850 166.398,851 83.254,852 8.825,854 108.278,855 75.621,856 46.96,857 15.814,858 117.711,859 45.954,860 141.253,861 206.811,862 25.145,864 45.954,865 141.253,866 25.145,869 39.314,870 133.926,871 33.571,872 45.954,873 141.253,874 108.399,875 169.512,878 141.253,879 30.304,880 93.254,881 62.74,882 91.613,883 141.253,884 108.399,885 169.512,887 0.593,888 0.346,889 0.186,890 0.107,891 22,892 10,893 0.068,894 3,895 1,896 1.095,897 3.704,898 230.678,899 0.095,900 21,901 118.211,904 16.8,905 6.58,906 3.14,907 2.053,908 91.613,909 17.113,910 8.65,911 3.274,914 5.378,916 49.683,917 419.164,918 41,922 11.516,925 0.035,926 41.265,927 45.535,928 0.303,929 0.692,930 0.843,931 0.915,932 0.933,933 0.933,934 4.973,935 1.421,936 5.838,937 4.408,938 4.443,939 5.109,940 1.45,941 6.683,942 4.376,943 6.221,944 1.103,945 7.42,946 3.734,947 4.111,948 4.997,950 7.656,951 4.01,952 7.551,953 1.047,954 9.101,955 2.843,956 6.071,957 7.407,958 1.845,959 10.772,960 5.969,961 8.919,962 1,963 10.84,964 2.658,965 6.538,966 8.114,968 12.584,969 6.428,970 10.316,971 0.566,972 12.616,973 2.275,974 7.993,975 9.997,976 2.271,977 15.233,978 7.875,979 11.736,980 -0.031,981 14.42,982 1.384,983 8.823,984 11.1,986 17.396,987 8.703,988 13.174,989 -0.369,990 16.243,991 -0.076,992 10.082,993 12.761,994 2.72,995 19.892,996 9.95,997 3.251,998 -0.6,999 18.082,1000 -0.903,1001 11.083,1002 14.064,1004 22.204,1005 10.945,1006 2.917,1007 11.509,1008 19.934,1009 -1.411,1010 12.267,1011 15.628,1012 3.184,1013 24.652,1014 12.116,1015 2.711,1016 9.686,1017 21.795,1018 4.578,1019 13.349,1020 17.032,1022 27.029,1023 13.187,1024 2.349,1025 8.18,1026 23.665,1027 4.063,1028 14.508,1029 18.556,1030 3.658,1031 29.463,1032 14.331,1033 2.256,1034 7.249,1035 25.542,1036 3.659,1037 15.629,1038 20.011,1040 31.87,1041 15.438,1042 1.913,1043 6.173,1044 27.425,1045 3.133,1046 16.783,1047 21.522,1048 4.138,1049 34.302,1050 16.575,1051 1.565,1052 5.465,1053 29.313,1054 3.068,1055 17.924,1056 23.003,1058 36.724,1059 17.7,1060 7185,1061 12864,1062 19.304,1063 30.398,1064 44.912,1065 45.177,1066 46.011,1067 44.414,1068 44.196,1069 61.886,1070 2.555,1071 131.129,1072 42.437,1073 5.381,1074 5.544,1075 6.29,1076 5.305,1077 5.251,1078 7.578,1079 2.555,1080 19.064,1081 5.196,1082 13.306,1083 1.549,1084 1.558,1085 1.587,1086 1.532,1087 1.524,1088 2.134,1089 0.088,1090 4.522,1091 1.463,1092 4.15,1093 4.18,1094 6.88,1095 4.079,1096 7.428,1097 4.082,1098 3.959,1099 3.984,1100 4.094,1101 3.899,1102 5.235,1103 3.897,1104 3.732,1105 3.778,1106 3.902,1107 3.597,1108 4.96,1109 3.611,1110 3.4,1111 3.445,1112 3.682,1113 3.307,1114 4.726,1115 3.285,1116 3.384,1117 3.436,1118 3.293,1119 3.198,1120 4.494,1121 3.211,1122 3.021,1123 3.115,1124 3.169,1125 2.844,1126 4.304,1127 2.839,1128 2.929,1129 2.99,1130 2.896,1131 2.772,1132 3.928,1133 2.775,1134 2.854,1135 2.925,1136 2.779,1137 2.735,1138 3.782,1139 2.715,1140 0.161,1141 0.122,1142 0.237,1143 0.146,1144 0.112,1145 4.658,1146 0.158,1147 3.544,1148 0.044,1149 6.876,1150 0.397,1151 4.234,1152 0.11,1153 3.251,1154 4.578,1155 1.277,1156 11.509,1157 3.196,1158 1.989,1159 1.971,1160 2.06,1161 2.068,1162 1.202,1163 2.065,1164 1.911,1165 1.892,1166 1.974,1167 1.983,1168 1.125,1169 1.99,1170 1.707,1171 1.67,1172 1.794,1173 1.877,1174 0.856,1175 1.857,1176 1.412,1177 1.359,1178 1.637,1179 1.632,1180 0.678,1181 1.623,1182 1.34,1183 1.279,1184 1.538,1185 1.579,1186 0.518,1187 1.588,1188 1.014,1189 0.972,1190 1.23,1191 1.263,1192 0.254,1193 1.268,1194 0.929,1195 0.854,1196 1.181,1197 1.093,1198 0.218,1199 1.11,1200 0.886,1201 0.821,1202 1.108,1203 1.062,1204 0.095,1205 1.107,1206 4.078,1208 5.425,1209 2.398,1210 6.967,1211 4.727,1212 8.598,1213 6.843,1214 10.276,1215 3.486,1216 1.552,1220 5.859,1231 28.986,1232 66.618,1233 151.969,1234 185.253,1235 200.905,1236 204.905,1237 204.905,1238 36.846,1239 7.628,1240 84.66,1241 84.66,1242 23,1243 12.662,1244 4.585,1245 3.7,1246 37.849,1247 86,1248 96,1249 0.212,1250 183.93,1251 304.55,1252 440.548,1253 20997,1254 2.4,1255 18.259,1256 0.702,1257 0.598,1258 19.259,1259 15.54,1260 12.525,1261 0.432,1262 0.304,1263 8.012,1264 11.642,1265 7.742,1266 6.411,1267 13.102,1268 8.829,1269 11.748,1270 0.28,1271 0.165,1272 12.565,1273 6.932,1274 9.856,1275 0.173,1276 0.084,1277 10.381,1278 4.802,1279 8.336,1280 0.108,1281 0.044,1282 8.805,1283 3.352,1284 6.91,1285 0.068,1286 0.023,1287 7.395,1288 2.338,1289 0.324,1290 85.703,1291 0.228,1292 24.657,1293 0.611,1294 142,1295 395.325,1296 216.663,1297 431.748,1298 588.01,1299 402,1300 170,1301 415.468,1302 206.586,1303 438.971,1304 642.19,1305 414,1306 5} {0 CHEMBL1802971,1 1.625,2 9.346,3 4.073,4 16.588,5 106.381,6 9.934,7 0.759,8 3.833,9 3.941,10 3.649,11 3.492,12 5.037,13 3.468,14 4.296,15 4.431,16 4.081,17 3.894,18 5.495,19 3.85,20 4.511,21 4.66,22 4.241,23 4.025,24 5.688,25 3.962,26 4.552,27 4.711,28 4.204,29 4.034,30 5.721,31 3.946,32 4.589,33 4.801,34 3.938,35 3.939,36 5.653,37 3.852,38 4.488,39 4.694,40 4.038,41 3.871,42 5.603,43 3.802,44 4.444,45 4.639,46 4.03,47 3.846,48 5.582,49 3.748,50 4.427,51 4.653,52 4.052,53 3.708,54 5.604,55 3.572,56 0.046,57 0.583,58 4.4,59 3.124,60 8.607,61 3.622,62 0.13,63 0.926,64 9.42,65 5.571,66 17.334,67 6.755,68 0.19,69 1.092,70 18.853,71 7.358,72 30.057,73 8.316,74 0.184,75 1.152,76 22.008,77 8.027,78 28.339,79 9.039,80 0.227,81 1.213,82 26.365,83 8.496,84 35.004,85 10.237,86 0.229,87 1.144,88 17.07,89 6.904,90 27.307,91 8.617,92 0.167,93 1.063,94 14.744,95 6.769,96 25.923,97 7.974,98 0.328,99 0.975,100 25.974,101 7.704,102 45.388,103 9.291,104 18,105 42,106 0.28,107 0.638,108 0.778,109 0.844,110 0.861,111 0.861,112 3.305,113 0.914,114 -4.61,115 -4.53,116 -4.26,117 1,119 48.8,120 1,133 7,134 5,135 1,136 1,137 1,141 1,142 1,143 1,146 1,152 1,153 1,154 1,159 11,161 1,162 5,163 2,164 2,166 2,168 14,172 5,176 3,178 13,182 8,185 1,187 4,190 10,192 2,194 7,199 3,202 7,204 2,206 6,209 1,210 1,211 5,212 1,213 9,215 3,217 1,222 5,224 7,226 3,228 2,229 5,234 4,237 8,239 3,242 1,250 6,255 1026,256 17.499,257 17.499,258 17.499,259 17.499,260 17.499,261 14.779,262 7.234,263 10.066,264 17.791,265 14.281,266 14.281,267 14.281,268 14.281,269 14.281,270 10.209,271 5.017,272 4.725,273 14.833,274 3.733,275 1.651,276 0.839,277 0.457,278 0.36,279 0.36,280 4,284 1,285 528,286 2.739,288 47.909,289 215.556,291 92.295,295 1.45,296 21.338,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.75,307 243,308 4.687,309 3.544,310 6.913,311 4.25,312 3.272,313 4.629,314 1.277,315 11.63,316 3.201,317 4.366,318 3.326,319 6.471,320 3.932,321 2.958,322 4.083,324 10.023,325 2.894,326 4.104,327 3.049,328 5.934,329 3.728,330 2.723,331 3.667,333 8.225,334 2.726,335 3.725,336 2.592,337 5.766,338 3.323,339 2.36,340 3.127,342 7.621,343 2.246,344 3.634,345 2.412,346 5.193,347 3.152,348 2.244,349 3.058,351 6.262,352 2.012,353 3.173,354 2.064,355 4.844,356 2.696,357 1.743,358 2.422,360 5.107,361 1.629,362 3.048,363 1.775,364 4.37,365 2.524,366 1.548,367 2.321,369 3.835,370 1.505,371 2.884,372 1.546,373 4.09,374 2.406,375 1.425,376 2.008,378 3.663,379 1.359,380 2.609,381 1.295,382 3.873,383 2.103,384 1.092,385 1.59,386 2.755,387 1.096,388 2.5,389 1,390 3.701,391 2,392 1,393 1.5,394 2.611,395 1,396 2.5,397 1,398 3.414,399 1.953,400 1,401 1.5,402 2.275,403 0.95,404 2.184,405 0.931,406 3.296,407 1.633,408 0.737,409 1.049,411 1.793,412 0.61,413 1.306,414 0.35,415 2.777,416 0.913,417 -0.032,418 -0.04,420 -0.076,421 -0.029,422 1.061,423 0.146,424 2.415,425 0.522,426 -0.302,427 -0.391,429 -0.689,430 -0.185,431 0.825,432 0.011,433 2.367,434 0.382,435 -0.598,436 -0.767,438 -1.409,439 -0.577,440 13.267,441 0.51,442 0.716,443 0.028,444 38.5,445 1.481,446 22,447 0.846,448 16.5,449 0.635,450 19.639,451 0.755,452 25.133,453 0.613,454 26.967,455 1.037,456 7.433,457 0.286,458 5.109,459 0.196,460 0.193,462 0.377,466 0.788,467 1.01,468 0.479,469 0.681,470 0.742,471 0.708,472 0.587,473 0.854,474 0.556,475 0.732,476 0.537,477 0.766,478 1.065,479 1.061,480 0.903,481 0.949,482 1.066,483 0.938,484 1.024,485 1.146,486 1.12,487 1.118,488 0.954,489 1.124,490 0.964,491 1.089,492 0.751,493 0.932,494 0.833,495 0.972,496 0.719,497 1.035,498 0.512,499 0.813,500 0.558,501 0.885,502 1.002,503 1.13,504 0.763,505 0.946,506 0.851,507 1.063,508 0.828,509 1.022,510 1.147,511 1.104,512 0.941,513 1.086,514 5,515 0.11,516 3.778,517 1.972,518 1.454,519 0.976,520 0.713,521 0.438,522 0.301,523 0.204,524 7394,525 23025,526 2.101,527 36.6,529 7,530 1,531 1,532 3,533 3,536 1.696,537 1.95,538 3.195,539 0.936,541 1,545 66.618,546 1.625,547 3.707,548 4.518,549 4.9,550 4.998,551 4.998,552 2.687,553 4.181,554 4.67,555 3.362,556 1092.54,557 8.12,558 13138.9,560 1,562 1,563 219.66,564 1.46,565 4.624,566 0.172,567 0.009,568 0.09,569 0.045,570 0.035,571 0.026,572 0.019,573 0.014,574 0.012,575 0.013,576 0.436,577 0.33,578 1,579 0.777,580 124.873,581 -0.11,582 0.044,583 -0.004,584 0.067,585 -0.147,586 0.068,587 0.133,588 0.164,589 0.033,590 0.082,591 0.089,592 0.079,593 -0.112,594 -0.078,595 -0.022,596 -0.035,597 -0.092,598 -0.043,599 -0.12,600 -0.16,601 -0.096,602 -0.166,603 -0.104,604 -0.211,605 -0.105,606 -0.096,607 -0.046,608 -0.026,609 -0.073,610 0.003,611 0.07,612 0.016,613 0.058,614 0.028,615 0.045,616 0.043,617 -0.148,618 -0.102,619 0.005,620 -0.053,621 -0.086,622 -0.134,623 0.218,624 -0.068,625 0.055,626 -0.037,627 0.122,628 -0.034,629 1.633,630 4.52,631 0.808,632 20.757,633 1.006,634 1.111,635 3.38,636 11.424,637 0.741,638 3.401,639 3.761,640 4.078,641 4.369,642 4.625,643 4.771,644 4.92,645 5.037,646 5.088,647 5.159,648 5.676,649 0.707,650 407.29,651 3.401,652 4.963,653 5.838,654 6.737,655 7.632,656 8.538,657 9.441,658 10.351,659 11.258,660 12.17,661 9.8,665 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,686 1,691 1,698 1,699 41,700 23,701 2,702 29,703 1,704 44,705 20,706 18,707 5,708 7,709 1,710 4,711 5,715 1,721 19,722 1,724 1,728 1,731 1,733 1,736 15,737 4,738 3,739 6,740 1,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,780 1,781 1,785 26,786 1,800 1,801 2.4,804 1,808 13.333,809 7.793,810 5.611,811 2.322,812 4.581,813 1.601,814 1.051,815 4.251,816 12.209,817 3.738,818 4.422,819 5.096,820 5.75,821 6.339,822 6.754,823 7.247,824 7.7,825 8.043,826 8.459,827 1,828 44,829 9.54,831 4.097,832 7.766,833 18.085,835 14.964,837 2.266,838 58.917,841 1,842 141.253,843 123.558,844 129.208,846 25.145,849 169.512,850 166.398,851 83.254,852 8.825,854 108.278,855 75.621,856 46.96,857 15.814,858 117.711,859 45.954,860 141.253,861 206.811,862 25.145,864 45.954,865 141.253,866 25.145,869 39.314,870 133.926,871 33.571,872 45.954,873 141.253,874 108.399,875 169.512,878 141.253,879 30.304,880 93.254,881 62.74,882 91.613,883 141.253,884 108.399,885 169.512,887 0.592,888 0.353,889 0.19,890 0.105,891 22,892 10,893 0.068,894 3,895 1,896 1.095,897 3.685,898 231.801,899 0.095,900 21,901 118.211,904 16.8,905 6.58,906 3.028,907 2.039,908 91.613,909 17.065,910 8.655,911 3.284,914 5.342,916 49.683,917 419.164,918 41,922 11.52,925 0.034,926 41.265,927 45.535,928 0.303,929 0.692,930 0.843,931 0.915,932 0.933,933 0.933,934 4.973,935 1.425,936 5.844,937 3.835,938 4.443,939 5.109,940 1.45,941 6.701,942 4.376,943 6.221,944 1.092,945 7.434,946 3.663,947 4.111,948 4.997,950 7.706,951 4.01,952 7.553,953 1,954 9.126,955 2.755,956 6.08,957 7.415,958 1.845,959 10.832,960 5.972,961 8.925,962 1,963 10.878,964 2.611,965 6.567,966 8.144,968 12.675,969 6.437,970 10.329,971 0.737,972 12.667,973 2.275,974 8.023,975 10.027,976 2.271,977 15.331,978 7.883,979 11.756,980 -0.032,981 14.483,982 1.793,983 8.874,984 11.155,986 17.512,987 8.716,988 13.201,989 -0.302,990 16.319,991 -0.076,992 10.134,993 12.816,994 2.72,995 20.017,996 9.963,997 3.272,998 -0.598,999 18.168,1000 -0.689,1001 11.152,1002 14.142,1004 22.341,1005 10.961,1006 2.958,1007 11.63,1008 20.03,1009 -1.409,1010 12.34,1011 15.711,1012 3.184,1013 24.796,1014 12.132,1015 2.723,1016 10.023,1017 21.9,1018 4.629,1019 13.434,1020 17.133,1022 27.183,1023 13.205,1024 2.36,1025 8.225,1026 23.778,1027 4.083,1028 14.598,1029 18.666,1030 3.658,1031 29.625,1032 14.351,1033 2.244,1034 7.621,1035 25.662,1036 3.667,1037 15.728,1038 20.136,1040 32.04,1041 15.459,1042 1.743,1043 6.262,1044 27.551,1045 3.127,1046 16.888,1047 21.656,1048 4.138,1049 34.48,1050 16.597,1051 1.548,1052 5.107,1053 29.445,1054 3.058,1055 18.036,1056 23.152,1058 36.911,1059 17.723,1060 7104,1061 12641,1062 19.304,1063 30.398,1064 44.898,1065 45.323,1066 46.214,1067 44.392,1068 44.205,1069 61.908,1070 2.555,1071 131.598,1072 42.456,1073 5.41,1074 5.544,1075 6.442,1076 5.321,1077 5.272,1078 7.629,1079 2.555,1080 19.255,1081 5.201,1082 13.196,1083 1.548,1084 1.563,1085 1.594,1086 1.531,1087 1.524,1088 2.135,1089 0.088,1090 4.538,1091 1.464,1092 4.15,1093 4.179,1094 6.881,1095 4.083,1096 7.428,1097 4.084,1098 3.959,1099 3.984,1100 4.082,1101 3.9,1102 5.235,1103 3.898,1104 3.732,1105 3.778,1106 3.897,1107 3.594,1108 4.958,1109 3.61,1110 3.398,1111 3.445,1112 3.68,1113 3.267,1114 4.726,1115 3.261,1116 3.379,1117 3.44,1118 3.294,1119 3.193,1120 4.494,1121 3.208,1122 3.024,1123 3.115,1124 3.251,1125 2.937,1126 4.295,1127 2.885,1128 2.937,1129 2.983,1130 2.879,1131 2.773,1132 3.938,1133 2.781,1134 2.854,1135 2.925,1136 2.72,1137 2.735,1138 3.783,1139 2.715,1140 0.162,1141 0.122,1142 0.238,1143 0.147,1144 0.113,1145 4.687,1146 0.16,1147 3.544,1148 0.044,1149 6.913,1150 0.401,1151 4.25,1152 0.11,1153 3.272,1154 4.629,1155 1.277,1156 11.63,1157 3.201,1158 1.989,1159 1.971,1160 2.06,1161 2.068,1162 1.203,1163 2.065,1164 1.911,1165 1.892,1166 1.974,1167 1.98,1168 1.126,1169 1.988,1170 1.707,1171 1.67,1172 1.792,1173 1.876,1174 0.856,1175 1.856,1176 1.411,1177 1.36,1178 1.635,1179 1.633,1180 0.678,1181 1.623,1182 1.34,1183 1.279,1184 1.533,1185 1.579,1186 0.516,1187 1.588,1188 1.023,1189 0.965,1190 1.239,1191 1.27,1192 0.283,1193 1.275,1194 0.931,1195 0.853,1196 1.181,1197 1.136,1198 0.218,1199 1.151,1200 0.886,1201 0.821,1202 1.163,1203 1.062,1204 0.075,1205 1.107,1206 4.078,1208 5.425,1209 2.398,1210 6.973,1211 4.727,1212 8.611,1213 6.862,1214 10.297,1215 3.562,1216 1.552,1220 5.863,1231 28.986,1232 66.618,1233 151.969,1234 185.253,1235 200.905,1236 204.905,1237 204.905,1238 37.22,1239 7.628,1240 84.66,1241 84.66,1242 23,1243 12.685,1244 4.585,1245 3.7,1246 37.825,1247 85,1248 96,1249 0.215,1250 183.93,1251 304.55,1252 440.548,1253 20995,1254 2.4,1255 18.259,1256 0.702,1257 0.598,1258 19.259,1259 15.54,1260 12.542,1261 0.432,1262 0.305,1263 8.018,1264 11.695,1265 7.751,1266 6.42,1267 13.119,1268 8.835,1269 11.642,1270 0.277,1271 0.163,1272 12.383,1273 6.843,1274 9.993,1275 0.172,1276 0.086,1277 10.71,1278 4.99,1279 8.452,1280 0.108,1281 0.045,1282 9.07,1283 3.49,1284 6.865,1285 0.068,1286 0.023,1287 7.318,1288 2.316,1289 0.328,1290 85.804,1291 0.228,1292 24.589,1293 0.622,1294 142,1295 395.325,1296 216.663,1297 431.612,1298 588.63,1299 402,1300 171,1301 416.468,1302 214.347,1303 439.836,1304 645.79,1305 415,1306 6.538} {0 CHEMBL1802972,1 1.658,2 10.111,3 3.453,4 11.925,5 109.061,6 9.821,7 0.733,8 3.884,9 4,10 3.686,11 3.507,12 5.088,13 3.49,14 4.343,15 4.484,16 4.113,17 3.903,18 5.563,19 3.864,20 4.562,21 4.727,22 4.232,23 4.041,24 5.702,25 3.975,26 4.588,27 4.765,28 4.33,29 4.064,30 5.716,31 3.981,32 4.622,33 4.808,34 4.147,35 4.014,36 5.762,37 3.934,38 4.591,39 4.796,40 4.162,41 3.965,42 5.713,43 3.882,44 4.535,45 4.748,46 4.19,47 3.888,48 5.648,49 3.78,50 4.436,51 4.667,52 3.795,53 3.716,54 5.491,55 3.57,56 0.064,57 0.652,58 4.988,59 3.261,60 9.322,61 3.761,62 0.188,63 1.015,64 10.241,65 5.817,66 20.857,67 7.091,68 0.261,69 1.203,70 19.792,71 7.574,72 35.657,73 8.408,74 0.207,75 1.23,76 22.601,77 8.302,78 23.676,79 9.923,80 0.254,81 1.251,82 30.432,83 8.727,84 34.545,85 10.191,86 0.277,87 1.25,88 19.081,89 7.928,90 36.427,91 9.588,92 0.295,93 1.162,94 25.244,95 7.798,96 31.534,97 9.476,98 0.241,99 0.999,100 34.21,101 8.122,102 32.035,103 9.477,104 19,105 43,106 0.283,107 0.658,108 0.806,109 0.868,110 0.868,111 0.868,112 3.341,113 0.909,114 -4.24,115 -4.18,116 -3.95,117 1,119 46.5,120 1,133 7,134 4,135 2,136 1,137 1,141 1,142 1,143 1,147 1,152 1,153 1,154 1,159 8,161 1,162 4,163 2,164 3,166 6,168 12,172 3,176 3,178 11,182 7,185 1,187 6,190 7,192 2,194 10,199 4,202 9,204 2,206 2,209 1,210 1,211 4,212 1,213 7,215 2,217 4,220 2,222 8,224 8,226 5,229 1,234 2,237 8,239 1,241 2,242 3,246 2,249 1,250 3,255 1149,256 18.154,257 18.154,258 18.154,259 18.154,260 18.154,261 15.371,262 11.646,263 10.594,264 18.514,265 14.819,266 14.819,267 14.819,268 14.819,269 14.819,270 10.67,271 12.934,272 5.031,273 15.471,274 3.769,275 1.574,276 0.707,277 0.343,278 0.343,279 0.343,280 4.036,284 1,285 592,286 2.915,288 50.808,289 228.447,291 97.681,295 1.531,296 21.416,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 57.25,307 273,308 4.704,309 3.533,310 6.974,311 4.265,312 3.29,313 4.647,314 1.907,315 11.846,316 3.205,317 4.349,318 3.364,319 6.475,320 3.917,321 2.943,322 4.064,323 0.149,324 10.036,325 2.861,326 3.974,327 3.018,328 5.653,329 3.569,330 2.601,331 3.537,333 7.535,334 2.513,335 3.655,336 2.598,337 5.393,338 3.269,339 2.309,340 2.989,342 6.95,343 2.22,344 3.504,345 2.412,346 5.042,347 3.06,348 2.127,349 2.864,351 5.93,352 1.977,353 3.415,354 2.312,355 5.015,356 2.917,357 1.985,358 2.795,360 5.672,361 1.916,362 3.327,363 2.072,364 4.588,365 2.866,366 1.891,367 2.541,369 4.689,370 1.66,371 2.93,372 1.514,373 4.374,374 2.449,375 1.461,376 2.116,378 4.064,379 1.439,380 2.718,381 1.275,382 4.002,383 2.215,384 1.245,385 1.816,386 3.156,387 1.202,388 2.5,389 1,390 3.756,391 2,392 1,393 1.5,394 2.559,395 1,396 2.5,397 1,398 3.414,399 1.953,400 1,401 1.5,402 2.275,403 0.95,404 2.167,405 0.917,406 3.311,407 1.614,408 0.717,409 1.022,411 1.771,412 0.598,413 1.433,414 0.655,415 2.843,416 1.082,417 0.125,418 0.154,420 0.301,421 0.117,422 1.087,423 0.217,424 2.52,425 0.694,426 -0.249,427 -0.308,429 -0.621,430 -0.175,431 1.039,432 0.1,433 2.374,434 0.499,435 -0.325,436 -0.418,438 -0.753,439 -0.252,440 13.667,441 0.506,442 0.733,443 0.027,444 40,445 1.481,446 22.5,447 0.833,448 17.5,449 0.648,450 20.591,451 0.763,452 26.533,453 0.617,454 28.323,455 1.049,456 7.763,457 0.288,458 5.262,459 0.195,460 0.188,462 0.366,466 0.865,467 1.084,468 0.486,469 0.697,470 0.762,471 0.716,472 0.543,473 0.951,474 0.563,475 0.772,476 0.483,477 0.807,478 1.263,479 0.983,480 0.934,481 0.85,482 1.194,483 0.902,484 0.742,485 1.071,486 1.024,487 1.016,488 0.585,489 0.984,490 1.004,491 1.166,492 1.12,493 1.144,494 0.934,495 1.079,496 0.949,497 1.029,498 0.686,499 0.833,500 0.915,501 0.929,502 0.766,503 1.043,504 1.094,505 1.082,506 0.61,507 1.079,508 1.041,509 1.068,510 1.577,511 1.286,512 0.88,513 1.207,514 5.5,515 0.132,516 3.111,517 2,518 1.654,519 0.969,520 0.856,521 0.38,522 0.255,523 0.198,524 8293,525 25966,526 2.097,527 37.2,529 7,530 1,531 1,532 4,533 3,536 1.705,537 1.952,538 3.272,539 1.698,541 1,545 71.281,546 1.658,547 3.852,548 4.719,549 5.083,550 5.083,551 5.083,552 2.756,553 4.31,554 4.722,555 3.452,556 1211.53,557 8.223,558 15047.7,560 1,562 1,563 233.329,564 1.447,565 4.681,566 0.183,567 0.009,568 0.072,569 0.045,570 0.038,571 0.024,572 0.022,573 0.012,574 0.011,575 0.011,576 0.427,577 0.17,578 1,579 0.936,580 131.941,581 -0.142,582 0.017,583 -0.006,584 0.07,585 -0.158,586 0.072,587 0.21,588 0.1,589 0.033,590 0.057,591 0.153,592 0.047,593 -0.267,594 0.039,595 -0.046,596 0.073,597 -0.214,598 -0.003,599 0.019,600 -0.079,601 0.014,602 -0.037,603 0.031,604 -0.031,605 -0.097,606 -0.188,607 -0.096,608 -0.164,609 -0.059,610 -0.117,611 -0.053,612 -0.016,613 0.039,614 0.062,615 -0.079,616 0.014,617 0.055,618 -0.04,619 0.021,620 -0.08,621 0.031,622 -0.092,623 -0.143,624 -0.126,625 -0.161,626 -0.174,627 -0.084,628 -0.149,629 1.775,630 4.219,631 0.778,632 23.588,633 1.009,634 1.117,635 3.014,636 9.084,637 0.73,638 3.434,639 3.784,640 4.078,641 4.407,642 4.654,643 4.771,644 4.934,645 5.056,646 5.106,647 5.17,648 5.977,649 0.698,650 422.31,651 3.434,652 4.99,653 5.855,654 6.756,655 7.643,656 8.552,657 9.45,658 10.362,659 11.267,660 12.18,661 11.6,665 1,668 1,669 1,671 2,674 2,675 9,676 2,677 1,680 7,682 22,691 1,698 1,699 43,700 23,701 2,702 30,703 1,704 46,705 20,706 18,707 5,708 7,710 4,711 5,715 1,721 19,722 1,724 1,728 1,731 1,733 1,736 16,737 5,738 4,739 7,740 1,743 5,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,766 1,777 3,780 1,781 1,785 27,786 1,790 1,800 1,801 2.3,804 1,808 13.833,809 8.043,810 5.833,811 2.384,812 4.577,813 1.594,814 1.048,815 4.685,816 12.286,817 3.761,818 4.434,819 5.078,820 5.758,821 6.345,822 6.737,823 7.229,824 7.699,825 8.031,826 8.425,827 0.857,828 44,829 9.892,831 4.217,832 7.775,833 18.718,835 15.343,837 2.275,838 61.417,841 1,842 141.253,843 122.7,844 147.219,846 25.145,849 168.654,850 166.398,851 101.265,852 8.825,853 18.011,854 108.278,855 75.192,856 46.531,857 15.814,858 117.711,859 45.954,860 141.253,861 223.964,862 25.145,864 45.954,865 141.253,866 25.145,869 57.325,870 133.069,871 33.571,872 45.954,873 141.253,874 126.409,875 168.654,878 141.253,879 29.446,880 93.254,881 80.75,882 91.613,883 141.253,884 126.409,885 168.654,887 0.586,888 0.336,889 0.194,890 0.109,891 22,892 10,893 0.065,894 3,895 1,896 1.095,897 3.787,898 241.926,899 0.095,900 21,901 124.382,904 17.712,905 7.141,906 3.461,907 2.037,908 109.624,909 17.17,910 8.684,911 3.278,914 5.389,916 67.693,917 436.317,918 42,922 11.219,925 -0.108,926 43.367,927 48.034,928 0.305,929 0.71,930 0.87,931 0.937,932 0.937,933 0.937,934 4.994,935 1.461,936 5.855,937 4.689,938 4.466,939 5.121,940 1.953,941 6.701,942 4.386,943 6.235,944 1.245,945 7.432,946 4.064,947 4.111,948 4.997,949 1.593,950 7.681,951 3.986,952 7.561,953 1,954 9.11,955 3.156,956 6.084,957 7.409,958 2.904,959 10.822,960 5.946,961 8.925,962 1,963 10.85,964 2.559,965 6.538,966 8.119,967 3.032,968 12.675,969 6.366,970 10.321,971 0.717,972 12.631,973 2.275,974 8.005,975 10.007,976 4.037,977 15.352,978 7.819,979 11.741,980 0.125,981 14.443,982 1.771,983 8.84,984 11.129,985 4.409,986 17.565,987 8.626,988 13.181,989 -0.249,990 16.279,991 0.301,992 10.111,993 12.798,994 5.25,995 20.09,996 9.879,997 3.29,998 -0.325,999 18.132,1000 -0.621,1001 11.126,1002 14.127,1003 5.75,1004 22.448,1005 10.868,1006 2.943,1007 11.846,1008 20,1009 -0.753,1010 12.324,1011 15.703,1012 6.501,1013 24.925,1014 12.046,1015 2.601,1016 10.036,1017 21.88,1018 4.647,1019 13.424,1020 17.132,1021 7.068,1022 27.341,1023 13.119,1024 2.309,1025 7.535,1026 23.769,1027 4.064,1028 14.598,1029 18.672,1030 7.771,1031 29.804,1032 14.271,1033 2.127,1034 6.95,1035 25.666,1036 3.537,1037 15.737,1038 20.15,1039 8.374,1040 32.245,1041 15.384,1042 1.985,1043 5.93,1044 27.569,1045 2.989,1046 16.907,1047 21.678,1048 9.051,1049 34.706,1050 16.53,1051 1.891,1052 5.672,1053 29.477,1054 2.864,1055 18.065,1056 23.18,1057 9.674,1058 37.159,1059 17.662,1060 7984,1061 14234,1062 19.997,1063 31.404,1064 45.953,1065 46.398,1066 47.197,1067 45.566,1068 45.387,1069 63.089,1070 4.112,1071 133.564,1072 43.319,1073 5.453,1074 5.533,1075 6.518,1076 5.337,1077 5.29,1078 7.647,1079 3.306,1080 19.434,1081 5.205,1082 13.599,1083 1.532,1084 1.547,1085 1.573,1086 1.519,1087 1.513,1088 2.103,1089 0.137,1090 4.452,1091 1.444,1092 4.15,1093 4.179,1094 6.881,1095 4.084,1096 7.43,1097 4.084,1098 3.951,1099 3.982,1100 4.079,1101 3.882,1102 5.235,1103 3.881,1104 3.725,1105 3.779,1106 3.89,1107 3.57,1108 4.959,1109 3.588,1110 3.501,1111 3.548,1112 3.676,1113 3.286,1114 4.759,1115 3.303,1116 3.382,1117 3.44,1118 3.407,1119 3.242,1120 4.516,1121 3.245,1122 3.061,1123 3.149,1124 3.246,1125 2.943,1126 4.298,1127 2.894,1128 2.952,1129 2.993,1130 2.946,1131 2.844,1132 3.956,1133 2.851,1134 2.854,1135 2.925,1136 2.733,1137 2.735,1138 3.94,1139 2.715,1140 0.157,1141 0.118,1142 0.232,1143 0.142,1144 0.11,1145 4.704,1146 0.155,1147 3.533,1148 0.064,1149 6.974,1150 0.395,1151 4.265,1152 0.107,1153 3.29,1154 4.647,1155 1.907,1156 11.846,1157 3.205,1158 1.983,1159 1.964,1160 2.048,1161 2.066,1162 1.2,1163 2.062,1164 1.905,1165 1.883,1166 1.971,1167 1.984,1168 1.115,1169 1.99,1170 1.694,1171 1.651,1172 1.788,1173 1.881,1174 0.834,1175 1.857,1176 1.442,1177 1.391,1178 1.689,1179 1.68,1180 0.71,1181 1.681,1182 1.384,1183 1.322,1184 1.528,1185 1.619,1186 0.531,1187 1.604,1188 1.028,1189 0.968,1190 1.25,1191 1.291,1192 0.284,1193 1.293,1194 0.974,1195 0.908,1196 1.181,1197 1.151,1198 0.218,1199 1.164,1200 0.886,1201 0.821,1202 1.171,1203 1.062,1204 0.135,1205 1.107,1206 4.111,1208 5.451,1209 2.398,1210 6.986,1211 4.727,1212 8.615,1213 6.862,1214 10.296,1215 3.621,1216 1.481,1220 5.881,1223 2.765,1231 30.008,1232 71.281,1233 165.639,1234 202.923,1235 218.574,1236 218.574,1237 218.574,1238 37.618,1239 7.708,1240 96.69,1241 96.69,1242 23,1243 12.695,1244 4.585,1245 3.7,1246 40.04,1247 93,1248 112,1249 0.208,1250 190.724,1251 315.55,1252 457.126,1253 23554,1254 2.3,1255 18.966,1256 0.702,1257 0.594,1258 19.966,1259 16.04,1260 13.025,1261 0.434,1262 0.303,1263 8.251,1264 12.1,1265 7.991,1266 6.629,1267 13.602,1268 9.085,1269 12.143,1270 0.282,1271 0.162,1272 12.885,1273 6.968,1274 9.87,1275 0.17,1276 0.084,1277 10.543,1278 4.895,1279 8.803,1280 0.109,1281 0.045,1282 9.527,1283 3.655,1284 7.215,1285 0.069,1286 0.023,1287 7.764,1288 2.407,1289 0.319,1290 89.112,1291 0.224,1292 25.519,1293 0.594,1294 146,1295 413.658,1296 222.827,1297 448.917,1298 611.67,1299 418,1300 174,1301 434.722,1302 217.572,1303 457.124,1304 668.81,1305 431,1306 5} {0 CHEMBL1803067,1 1.59,2 10.8,3 2.749,4 7.559,5 93.958,6 7.985,7 0.429,8 3.869,9 3.97,10 3.505,11 3.4,12 5.015,13 3.411,14 4.385,15 4.53,16 3.862,17 3.771,18 5.537,19 3.768,20 4.512,21 4.683,22 3.817,23 3.829,24 5.664,25 3.787,26 4.573,27 4.79,28 3.617,29 3.736,30 5.635,31 3.666,32 4.44,33 4.665,34 3.578,35 3.641,36 5.476,37 3.578,38 4.403,39 4.618,40 3.632,41 3.597,42 5.532,43 3.572,44 4.319,45 4.489,46 3.633,47 3.595,48 5.543,49 3.564,50 4.373,51 4.587,52 3.449,53 3.539,54 5.506,55 3.457,56 0.054,57 0.61,58 7.497,59 3.645,60 6.144,61 4.301,62 0.422,63 0.982,64 15.108,65 5.949,66 21.206,67 7.097,68 0.231,69 1.089,70 17.398,71 7.176,72 26.883,73 9.13,74 0.444,75 1.13,76 21.086,77 6.937,78 45.828,79 8.99,80 0.259,81 0.99,82 18.451,83 6.581,84 29.926,85 8.883,86 0.366,87 0.951,88 18.014,89 5.822,90 38.267,91 7.594,92 0.365,93 0.887,94 14.683,95 5.486,96 31.115,97 6.967,98 0.406,99 0.866,100 17.406,101 6.455,102 40.159,103 8.545,104 5,105 39,106 0.276,107 0.622,108 0.757,109 0.848,110 0.868,111 0.868,112 3.267,113 0.853,114 -4.24,115 -4.18,116 -3.95,119 45.2,123 1,124 1,125 1,130 1,132 1,133 8,134 2,135 2,147 1,148 1,159 10,161 3,162 3,164 2,166 1,168 10,171 1,172 7,176 2,178 5,182 9,185 1,187 3,194 10,199 2,205 1,206 7,211 2,213 1,216 3,217 4,222 1,224 3,228 2,229 2,232 1,237 6,242 1,245 1,250 8,255 930,256 17.154,257 17.154,258 17.154,259 17.154,260 17.154,261 15.221,262 20.392,263 10.146,264 17.492,265 13.823,266 13.823,267 13.823,268 13.823,269 13.823,270 10.744,271 25.229,272 4.852,273 14.361,274 3.803,275 1.814,276 1.036,277 0.512,278 0.399,279 0.399,280 3.966,283 1,284 1,285 600,286 2.646,288 131.325,289 154.46,291 106.941,295 1.904,296 22.495,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 54.5,307 270,308 4.451,309 3.813,310 6.612,311 4.095,312 3.143,313 3.987,314 1.402,315 10.398,316 2.998,317 4.272,318 3.305,319 6.194,320 3.883,321 2.932,322 3.773,323 1.392,324 9.257,325 2.782,326 3.899,327 2.923,328 5.564,329 3.518,330 2.526,331 3.444,332 1.012,333 7.291,334 2.507,335 3.679,336 2.668,337 5.338,338 3.308,339 2.34,340 2.979,341 0.568,342 6.937,343 2.253,344 3.352,345 2.477,346 5.161,347 2.94,348 1.971,349 2.519,350 0.532,351 6.052,352 1.895,353 2.973,354 2.008,355 4.676,356 2.551,357 1.602,358 2.08,359 0.224,360 4.604,361 1.522,362 2.914,363 1.982,364 4.362,365 2.477,366 1.534,367 2.028,369 4.196,370 1.442,371 2.885,372 1.679,373 3.649,374 2.448,375 1.463,376 1.982,378 3.139,379 1.428,380 2.5,381 1.655,382 3.456,383 2.092,384 1.099,385 1.5,386 2.452,387 1.091,388 2.202,389 1.349,390 3.248,391 2,392 1,393 1.181,394 2.136,395 1,396 1.937,397 1,398 3.247,399 1.638,400 0.675,401 0.791,402 1.581,403 0.643,404 1.821,405 0.848,406 3.111,407 1.443,408 0.501,409 0.604,411 1.217,412 0.468,413 1.63,414 0.761,415 2.94,416 1.163,417 0.18,418 0.245,420 0.439,421 0.175,422 0.987,423 0.03,424 2.467,425 0.713,426 -0.258,427 -0.299,429 -0.685,430 -0.249,431 0.777,432 -0.219,433 2.365,434 0.379,435 -0.606,436 -0.785,438 -1.429,439 -0.594,440 11.7,441 0.468,442 0.554,443 0.022,444 34.5,445 1.38,446 17.5,447 0.7,448 17,449 0.68,450 16.604,451 0.664,452 26.1,453 0.621,454 24.77,455 0.991,456 7.225,457 0.289,458 4.978,459 0.199,460 0.071,462 0.333,466 0.826,467 1.332,468 0.702,469 1.088,470 0.639,471 0.904,472 0.955,473 0.82,474 0.857,475 0.816,476 0.703,477 0.814,478 0.832,479 1.312,480 0.965,481 1.223,482 0.819,483 1.139,484 1.192,485 1.032,486 1.225,487 0.984,488 1.357,489 1.071,490 0.865,491 1.146,492 0.906,493 1.001,494 0.939,495 0.961,496 1.157,497 0.949,498 0.895,499 0.766,500 1.554,501 0.762,502 0.85,503 1.141,504 1.011,505 1.109,506 1.122,507 1.083,508 0.762,509 0.96,510 0.998,511 1.085,512 1.247,513 1.088,514 4.5,515 0.037,516 2.667,517 1.833,518 0.969,519 0.695,520 0.554,521 0.368,522 0.268,523 0.096,524 8066,525 21979,526 2.154,527 40.5,529 14,530 2,532 1,536 1.677,537 2.055,538 3.408,539 -0.317,540 1,541 1,543 1,545 66.77,546 1.59,547 3.578,548 4.356,549 4.88,550 4.993,551 4.993,552 2.903,553 4.484,554 4.614,555 3.582,556 1074.59,557 7.965,558 13261.8,559 1,560 1,562 1,563 226.477,564 1.26,565 4.592,566 0.161,567 0.003,568 0.068,569 0.051,570 0.035,571 0.025,572 0.018,573 0.013,574 0.012,575 0.006,576 0.391,577 0.17,578 1,579 0.477,580 121.786,581 -0.052,582 -0.219,583 0.064,584 -0.104,585 -0.078,586 -0.015,587 0.117,588 0.269,589 0.03,590 0.133,591 0.015,592 0.073,593 -0.002,594 -0.289,595 -0.07,596 -0.247,597 0.079,598 -0.189,599 -0.188,600 0.001,601 -0.233,602 -0.057,603 -0.181,604 -0.131,605 -0.05,606 -0.155,607 0.078,608 -0.037,609 0.013,610 0.032,611 -0.101,612 0.079,613 0.113,614 0.166,615 -0.097,616 0.184,617 0.158,618 -0.087,619 -0.087,620 -0.166,621 0.086,622 -0.169,623 0.209,624 -0.019,625 0.005,626 -0.101,627 0.07,628 -0.088,629 1.812,630 5.412,631 0.8,632 23.024,633 1.011,634 1.12,635 3.006,636 9.036,637 0.684,638 3.367,639 3.689,640 3.97,641 4.205,642 4.344,643 4.369,644 4.511,645 4.663,646 4.71,647 4.796,648 6.461,649 0.664,650 335.39,651 3.367,652 4.905,653 5.759,654 6.629,655 7.496,656 8.371,657 9.243,658 10.122,659 10.997,660 11.878,661 7.1,663 1,668 1,670 1,675 8,680 4,682 12,697 2,699 42,700 15,701 2,702 28,704 45,705 19,706 12,707 4,708 8,709 4,710 4,711 5,714 1,721 16,722 3,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 17,737 6,738 1,739 6,743 3,747 0.75,748 3,759 2,760 2,762 1,767 1,770 2,773 1,777 3,781 1,785 25,789 2,790 1,791 2,794 1,801 7.1,804 1,806 2,808 12.167,809 7.9,810 5.444,811 2.351,812 3.035,813 1.412,814 1.008,815 4.26,816 10.391,817 3.638,818 4.205,819 4.762,820 5.26,821 5.741,822 5.897,823 6.283,824 6.693,825 7.001,826 7.261,827 1,828 36,829 9.218,831 3.933,832 7.747,833 17.49,835 14.204,837 2.247,838 56.167,841 1,842 188.338,843 128.657,844 37.921,846 47.145,849 128.657,850 235.482,851 37.921,852 8.396,853 11.88,854 103.297,855 32.606,856 55.643,857 25.441,858 164.795,860 188.338,861 166.578,862 47.145,865 188.338,866 47.145,869 46.677,870 107.668,871 12.233,873 188.338,874 85.065,875 128.657,878 188.338,879 34.974,880 96.807,881 18.011,882 63.93,883 188.338,884 85.065,885 128.657,887 0.582,888 0.345,889 0.18,890 0.09,891 20,892 8,893 0.089,894 4,895 1,896 1.1,897 3.867,898 205.593,899 0.1,900 20,901 112.096,904 15.878,905 6.707,906 3.292,908 85.065,909 15.517,914 3.36,916 18.011,917 402.06,918 37,922 12.412,923 1.748,924 4.425,925 0.783,926 42.473,927 47.03,928 0.295,929 0.664,930 0.808,931 0.905,932 0.926,933 0.926,934 4.875,935 1.463,936 5.733,937 4.196,938 4.369,939 4.89,940 2.456,941 6.526,942 4.295,943 6.07,944 1.099,945 7.281,946 3.139,947 3.892,948 4.575,949 0.81,950 7.361,951 3.766,952 7.368,953 1,954 8.929,955 2.452,956 5.948,957 7.014,958 2.798,959 10.463,960 5.792,961 8.703,962 0.675,963 10.635,964 2.136,965 6.33,966 7.509,967 1.554,968 12.144,969 6.11,970 10.07,971 0.501,972 12.379,973 1.581,974 7.82,975 9.404,976 3.303,977 14.741,978 7.575,979 11.459,980 0.18,981 14.149,982 1.217,983 8.598,984 10.282,985 2.266,986 16.777,987 8.284,988 12.865,989 -0.258,990 15.938,991 0.439,992 9.863,993 11.932,994 3.881,995 19.199,996 9.52,997 3.143,998 -0.606,999 17.743,1000 -0.685,1001 10.825,1002 13.015,1003 2.967,1004 21.392,1005 10.416,1006 2.932,1007 10.398,1008 19.559,1009 -1.429,1010 11.999,1011 14.537,1012 4.497,1013 23.75,1014 11.554,1015 2.526,1016 9.257,1017 21.384,1018 3.987,1019 13.048,1020 15.735,1021 3.662,1022 26.014,1023 12.54,1024 2.34,1025 7.291,1026 23.218,1027 3.773,1028 14.187,1029 17.187,1030 5.134,1031 28.35,1032 13.638,1033 1.971,1034 6.937,1035 25.058,1036 3.444,1037 15.276,1038 18.452,1039 4.353,1040 30.646,1041 14.669,1042 1.602,1043 6.052,1044 26.904,1045 2.979,1046 16.405,1047 19.866,1048 5.784,1049 32.976,1050 15.752,1051 1.534,1052 4.604,1053 28.754,1054 2.519,1055 17.513,1056 21.171,1057 5.04,1058 35.289,1059 16.807,1060 7493,1061 12523,1062 19.186,1063 28.71,1064 42.673,1065 43.815,1066 42.686,1067 41.952,1068 41.927,1069 54.223,1070 10.257,1071 119.396,1072 40.407,1073 5.373,1074 5.813,1075 6.414,1076 5.14,1077 5.143,1078 6.987,1079 2.793,1080 17.436,1081 4.998,1082 8.626,1083 1.524,1084 1.565,1085 1.524,1086 1.498,1087 1.497,1088 1.937,1089 0.366,1090 4.264,1091 1.443,1092 4.007,1093 4.032,1094 3.967,1095 3.905,1096 7.428,1097 3.914,1098 3.91,1099 3.938,1100 3.842,1101 3.843,1102 5.014,1103 3.837,1104 3.794,1105 3.829,1106 3.757,1107 3.594,1108 4.794,1109 3.633,1110 3.36,1111 3.401,1112 3.264,1113 3.148,1114 4.7,1115 3.167,1116 3.257,1117 3.331,1118 3.124,1119 3.039,1120 4.354,1121 3.049,1122 3.092,1123 3.171,1124 2.903,1125 2.875,1126 4.004,1127 2.873,1128 2.858,1129 2.925,1130 2.714,1131 2.735,1132 3.939,1133 2.715,1134 2.854,1135 2.919,1136 2.707,1137 2.701,1138 3.855,1139 2.691,1140 0.159,1141 0.136,1142 0.236,1143 0.146,1144 0.112,1145 4.451,1146 0.142,1147 3.813,1148 0.05,1149 6.612,1150 0.371,1151 4.095,1152 0.107,1153 3.143,1154 3.987,1155 1.402,1156 10.398,1157 2.998,1158 1.911,1159 1.881,1160 2.04,1161 2.004,1162 1.152,1163 2.017,1164 1.891,1165 1.874,1166 1.975,1167 1.969,1168 1.098,1169 1.971,1170 1.482,1171 1.439,1172 1.694,1173 1.762,1174 0.764,1175 1.741,1176 1.447,1177 1.39,1178 1.566,1179 1.631,1180 0.672,1181 1.608,1182 1.193,1183 1.13,1184 1.463,1185 1.518,1186 0.582,1187 1.486,1188 1.153,1189 1.104,1190 1.427,1191 1.413,1192 0.547,1193 1.433,1194 0.886,1195 0.821,1196 1.181,1197 1.07,1198 0.218,1199 1.107,1200 0.815,1201 0.76,1202 1.083,1203 1.062,1204 0.154,1205 1.076,1206 4.043,1208 5.361,1209 3.045,1210 6.864,1211 5.416,1212 8.445,1213 7.496,1214 10.068,1216 1.708,1222 0.831,1223 3.205,1224 10.662,1227 1.516,1231 27.896,1232 66.77,1233 150.297,1234 182.968,1235 204.968,1236 209.722,1237 209.722,1238 33.118,1239 7.357,1240 65.38,1241 65.38,1242 22,1243 12.414,1244 4,1245 3.322,1246 36.053,1247 96,1248 94,1249 0.181,1250 169.476,1251 301.63,1252 405.282,1253 16131,1255 17.225,1256 0.689,1257 0.549,1258 17.225,1259 13.73,1260 12.204,1261 0.436,1262 0.284,1263 7.818,1264 11.667,1265 7.635,1266 6.34,1267 12.204,1268 7.965,1269 10.921,1270 0.28,1271 0.148,1272 10.921,1273 5.781,1274 9.627,1275 0.185,1276 0.078,1277 9.627,1278 4.061,1279 7.736,1280 0.117,1281 0.041,1282 7.736,1283 2.695,1284 5.87,1285 0.077,1286 0.022,1287 5.87,1288 1.686,1289 0.286,1290 77.099,1291 0.228,1292 24.586,1293 0.487,1294 134,1295 420.83,1296 149.877,1297 399.155,1298 550.22,1299 376,1300 158,1301 408.222,1302 174.989,1303 412.571,1304 606.54,1305 386,1306 6.42} {0 CHEMBL1803068,1 1.663,2 11.714,3 2.517,4 6.337,5 99.724,6 8.431,7 0.375,8 3.975,9 4.057,10 3.653,11 3.459,12 5.131,13 3.501,14 4.515,15 4.64,16 4.039,17 3.845,18 5.706,19 3.88,20 4.587,21 4.731,22 3.97,23 3.907,24 5.773,25 3.895,26 4.671,27 4.864,28 3.779,29 3.84,30 5.751,31 3.793,32 4.564,33 4.779,34 3.695,35 3.733,36 5.595,37 3.677,38 4.503,39 4.703,40 3.745,41 3.667,42 5.634,43 3.656,44 4.436,45 4.607,46 3.77,47 3.664,48 5.649,49 3.65,50 4.469,51 4.665,52 3.705,53 3.612,54 5.632,55 3.582,56 0.146,57 0.657,58 7.313,59 3.957,60 8.396,61 4.19,62 0.713,63 1.059,64 16.531,65 6.49,66 30.968,67 6.856,68 0.416,69 1.155,70 16.83,71 7.538,72 28.943,73 8.75,74 0.662,75 1.218,76 21.717,77 7.552,78 51.625,79 9.042,80 0.52,81 1.085,82 20.664,83 7.399,84 38.045,85 9.67,86 0.6,87 1.026,88 19.331,89 6.28,90 46.533,91 7.805,92 0.575,93 0.971,94 16.128,95 6.023,96 36.744,97 7.467,98 0.598,99 0.94,100 18.419,101 6.765,102 44.005,103 8.731,104 5,105 46,106 0.284,107 0.628,108 0.747,109 0.828,110 0.866,111 0.882,112 3.374,113 0.823,114 -3.36,115 -3.35,116 -3.2,119 44.4,123 1,124 1,125 2,130 1,132 1,133 6,134 2,135 4,147 1,148 1,159 7,161 4,162 5,164 2,166 1,168 6,171 1,172 11,176 2,178 3,182 11,185 1,187 2,194 10,197 1,199 1,205 1,206 5,209 1,211 2,213 1,216 5,217 2,222 1,224 3,228 4,229 1,232 1,237 5,241 1,242 1,245 1,250 6,255 1236,256 19.256,257 19.256,258 19.256,259 19.256,260 19.256,261 17.351,262 26.993,263 11.139,264 19.739,265 15.794,266 15.794,267 15.794,268 15.794,269 15.794,270 12.595,271 34.377,272 5.305,273 16.565,274 3.829,275 1.815,276 1.117,277 0.639,278 0.417,279 0.328,280 4.086,283 1,284 1,285 747,286 2.828,288 216.481,289 152.127,291 242.244,295 2.041,296 30.13,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 62.5,307 328,308 4.452,309 3.813,310 6.612,311 4.096,312 3.144,313 3.988,314 1.402,315 10.398,316 2.998,317 4.29,318 3.315,319 6.194,320 3.895,321 2.941,322 3.925,323 1.392,324 9.259,325 2.802,326 4.27,327 3.305,328 6.193,329 3.88,330 2.929,331 3.771,332 1.392,333 9.253,334 2.78,335 3.697,336 2.906,337 5.561,338 3.343,339 2.379,340 2.991,341 1.012,342 7.27,343 2.281,344 3.574,345 2.593,346 5.268,347 3.252,348 2.276,349 2.877,350 0.568,351 6.693,352 2.21,353 3.334,354 2.476,355 5.153,356 2.915,357 1.946,358 2.499,359 0.532,360 6.035,361 1.87,362 2.972,363 2.008,364 4.676,365 2.52,366 1.578,367 2.029,368 0.532,369 4.6,370 1.48,371 2.886,372 1.992,373 4.366,374 2.477,375 1.534,376 2.024,377 0.224,378 4.211,379 1.439,380 2.885,381 1.982,382 4.362,383 2.476,384 1.534,385 1.984,386 4.196,387 1.436,388 2.228,389 1.772,390 3.479,391 2.117,392 1.126,393 1.208,394 2.505,395 1.114,396 2.202,397 1.675,398 3.454,399 2.092,400 1.098,401 1.181,402 2.452,403 1.09,404 1.969,405 1.409,406 3.326,407 1.704,408 0.744,409 0.862,411 1.759,412 0.708,413 1.856,414 0.959,415 3.138,416 1.454,417 0.506,418 0.613,420 1.227,421 0.475,422 1.654,423 0.792,424 3.018,425 1.344,426 0.404,427 0.475,429 0.979,430 0.375,431 1.566,432 0.704,433 2.94,434 1.138,435 0.165,436 0.223,438 0.41,439 0.159,440 12.867,441 0.46,442 0.674,443 0.024,444 38.5,445 1.375,446 18.5,447 0.661,448 20,449 0.714,450 19.655,451 0.702,452 29.733,453 0.661,454 28.54,455 1.019,456 7.991,457 0.285,458 5.679,459 0.203,460 0.065,462 0.381,466 0.871,467 1.384,468 0.65,469 1.154,470 0.673,471 0.9,472 1.067,473 0.753,474 0.84,475 0.727,476 0.763,477 0.717,478 0.861,479 1.334,480 0.973,481 1.249,482 0.826,483 1.165,484 1.091,485 1.067,486 1.256,487 1.037,488 1.313,489 1.142,490 0.783,491 1.13,492 0.945,493 1.02,494 0.901,495 1.024,496 1.029,497 1.004,498 0.953,499 0.82,500 1.468,501 0.843,502 0.71,503 1.069,504 0.935,505 1.038,506 1.024,507 1.037,508 0.669,509 1.027,510 0.841,511 1.073,512 1.149,513 1.024,514 5.5,515 0.085,516 3.333,517 2.153,518 1.227,519 0.719,520 0.608,521 0.414,522 0.368,523 0.181,524 11759,525 34700,526 2.2,527 37.8,529 12,530 4,532 1,536 1.706,537 2.1,538 3.525,539 -0.288,540 1,541 1,545 74.843,546 1.663,547 3.677,548 4.375,549 4.853,550 5.075,551 5.164,552 2.968,553 4.522,554 4.781,555 3.724,556 1407.67,557 8.288,558 19046,560 1,562 1,563 247.133,564 1.264,565 4.757,566 0.172,567 0.005,568 0.072,569 0.051,570 0.037,571 0.023,572 0.018,573 0.013,574 0.012,575 0.008,576 0.411,577 0.33,578 0.88,579 0.444,580 142.298,581 -0.085,582 -0.267,583 0.071,584 -0.157,585 -0.09,586 -0.03,587 0.03,588 0.323,589 0.04,590 0.226,591 0.001,592 0.154,593 -0.066,594 -0.292,595 -0.122,596 -0.261,597 0.049,598 -0.222,599 -0.204,600 -0.029,601 -0.293,602 -0.097,603 -0.212,604 -0.186,605 -0.023,606 -0.147,607 0.052,608 -0.042,609 0.003,610 0.009,611 -0.098,612 0.025,613 0.048,614 0.117,615 -0.117,616 0.123,617 0.165,618 -0.011,619 -0.007,620 -0.091,621 0.091,622 -0.096,623 0.238,624 -0.065,625 0.167,626 -0.094,627 0.098,628 -0.012,629 1.842,630 5.529,631 0.821,632 27.163,633 1.025,634 1.121,635 2.132,636 4.546,637 0.68,638 3.497,639 3.85,640 4.159,641 4.419,642 4.554,643 4.625,644 4.762,645 4.92,646 4.949,647 5.094,648 7.109,649 0.674,650 379.4,651 3.497,652 5.056,653 5.927,654 6.812,655 7.692,656 8.578,657 9.46,658 10.347,659 11.23,660 12.116,661 6.7,663 1,668 1,670 1,675 6,680 6,682 12,697 4,699 45,700 15,701 2,702 32,704 49,705 20,706 12,707 6,708 6,709 4,710 5,711 7,714 1,721 16,722 4,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 17,737 8,738 1,739 8,743 3,747 0.6,748 5,759 3,760 2,762 2,767 1,770 2,773 1,777 3,781 1,785 28,789 3,790 1,791 4,794 1,801 11.1,804 1,806 4,808 13.333,809 8.567,810 5.972,811 2.497,812 3.215,813 1.403,814 1.019,815 4.372,816 11.188,817 3.738,818 4.331,819 4.909,820 5.426,821 5.909,822 6.131,823 6.478,824 6.861,825 7.116,826 7.411,827 0.875,828 42,829 10.333,831 4.501,832 7.786,833 19.511,835 16.101,837 2.286,838 64,841 1,842 188.338,843 126.842,844 37.921,846 69.144,849 126.842,850 257.482,851 37.921,852 8.396,853 18.53,854 84.344,855 32.606,856 88.13,857 48.984,858 141.253,860 188.338,861 164.762,862 69.144,865 188.338,866 69.144,869 53.327,870 99.202,871 12.233,873 188.338,874 107.065,875 126.842,878 188.338,879 52.112,880 77.854,881 18.011,882 85.93,883 188.338,884 107.065,885 126.842,887 0.592,888 0.356,889 0.189,890 0.091,891 25,892 10,893 0.082,894 4,895 2,896 1.174,897 4.172,898 247.961,899 0.174,900 23,901 134.606,904 17.401,905 7.036,906 3.329,908 107.065,909 11.241,914 4.649,916 18.011,917 422.244,918 41,922 12.529,923 1.732,924 4.441,925 0.676,926 46.127,927 50.448,928 0.303,929 0.669,930 0.797,931 0.884,932 0.924,933 0.94,934 5.004,935 1.534,936 5.916,937 4.6,938 4.533,939 5.017,940 2.779,941 6.735,942 4.442,943 6.208,944 1.534,945 7.48,946 4.211,947 4.111,948 4.82,949 0.81,950 7.603,951 3.967,952 7.521,953 1.126,954 9.14,955 4.196,956 6.142,957 7.173,958 3.181,959 10.701,960 5.959,961 8.87,962 1.098,963 10.856,964 2.505,965 6.567,966 7.779,967 1.554,968 12.393,969 6.32,970 10.251,971 0.744,972 12.606,973 2.452,974 8.037,975 9.604,976 3.732,977 14.981,978 7.759,979 11.651,980 0.506,981 14.381,982 1.759,983 8.84,984 10.573,985 2.266,986 17.014,987 8.496,988 13.068,989 0.404,990 16.173,991 1.227,992 10.092,993 12.175,994 4.338,995 19.425,996 9.716,997 3.144,998 0.165,999 17.978,1000 0.979,1001 11.067,1002 13.326,1003 2.967,1004 21.608,1005 10.627,1006 2.941,1007 10.398,1008 19.794,1009 0.41,1010 12.233,1011 14.82,1012 4.971,1013 23.953,1014 11.756,1015 2.929,1016 9.259,1017 21.618,1018 3.988,1019 13.285,1020 16.068,1021 3.662,1022 26.203,1023 12.749,1024 2.379,1025 9.253,1026 23.448,1027 3.925,1028 14.418,1029 17.505,1030 5.617,1031 28.526,1032 13.841,1033 2.276,1034 7.27,1035 25.285,1036 3.771,1037 15.505,1038 18.805,1039 4.353,1040 30.809,1041 14.873,1042 1.946,1043 6.693,1044 27.126,1045 2.991,1046 16.627,1047 20.211,1048 6.271,1049 33.125,1050 15.951,1051 1.578,1052 6.035,1053 28.971,1054 2.877,1055 17.731,1056 21.541,1057 5.04,1058 35.425,1059 17.003,1060 10587,1061 18343,1062 22.076,1063 30.619,1064 49.228,1065 50.973,1066 49.229,1067 48.624,1068 48.608,1069 61.294,1070 14.103,1071 142.494,1072 46.431,1073 5.381,1074 5.813,1075 6.127,1076 5.161,1077 5.144,1078 6.988,1079 2.793,1080 17.437,1081 4.998,1082 9.364,1083 1.538,1084 1.593,1085 1.538,1086 1.519,1087 1.519,1088 1.915,1089 0.441,1090 4.453,1091 1.451,1092 4.015,1093 4.038,1094 3.975,1095 3.909,1096 7.428,1097 3.919,1098 3.948,1099 3.959,1100 3.904,1101 3.855,1102 5.024,1103 3.863,1104 3.803,1105 3.837,1106 3.773,1107 3.595,1108 4.995,1109 3.635,1110 3.423,1111 3.46,1112 3.327,1113 3.19,1114 4.746,1115 3.217,1116 3.328,1117 3.366,1118 3.226,1119 3.085,1120 4.387,1121 3.113,1122 3.109,1123 3.191,1124 2.98,1125 2.88,1126 4.315,1127 2.889,1128 3.091,1129 3.159,1130 2.898,1131 2.857,1132 3.999,1133 2.858,1134 2.858,1135 2.917,1136 2.727,1137 2.703,1138 3.979,1139 2.694,1140 0.139,1141 0.119,1142 0.207,1143 0.128,1144 0.098,1145 4.452,1146 0.125,1147 3.813,1148 0.044,1149 6.612,1150 0.325,1151 4.096,1152 0.094,1153 3.144,1154 3.988,1155 1.402,1156 10.398,1157 2.998,1158 1.893,1159 1.876,1160 1.987,1161 1.985,1162 1.15,1163 1.986,1164 1.882,1165 1.862,1166 1.974,1167 1.967,1168 1.098,1169 1.969,1170 1.478,1171 1.439,1172 1.688,1173 1.757,1174 0.759,1175 1.733,1176 1.443,1177 1.387,1178 1.545,1179 1.628,1180 0.654,1181 1.601,1182 1.191,1183 1.144,1184 1.455,1185 1.521,1186 0.582,1187 1.489,1188 1.156,1189 1.124,1190 1.435,1191 1.517,1192 0.576,1193 1.483,1194 1.131,1195 1.074,1196 1.415,1197 1.399,1198 0.543,1199 1.413,1200 0.795,1201 0.758,1202 1.085,1203 1.056,1204 0.155,1205 1.051,1206 4.174,1208 5.517,1209 3.434,1210 7.038,1211 5.778,1212 8.638,1213 7.832,1214 10.28,1216 1.689,1222 0.956,1223 3.2,1224 21.394,1227 1.492,1231 30.326,1232 74.843,1233 165.443,1234 196.869,1235 218.379,1236 228.379,1237 232.379,1238 36.546,1239 7.973,1240 83.84,1241 83.84,1242 27,1243 12.648,1244 4,1245 3.322,1246 37.868,1247 120,1248 100,1249 0.151,1250 179.668,1251 324.15,1252 430.15,1253 36526,1255 19.087,1256 0.682,1257 0.539,1258 19.087,1259 15.098,1260 13.67,1261 0.427,1262 0.274,1263 8.564,1264 12.883,1265 8.397,1266 6.914,1267 13.67,1268 8.777,1269 12.547,1270 0.273,1271 0.141,1272 12.547,1273 6.483,1274 11.3,1275 0.179,1276 0.074,1277 11.3,1278 4.655,1279 9.322,1280 0.114,1281 0.038,1282 9.322,1283 3.15,1284 6.987,1285 0.074,1286 0.021,1287 6.987,1288 1.968,1289 0.242,1290 87.714,1291 0.213,1292 27.138,1293 0.401,1294 156,1295 534.301,1296 179.183,1297 493.161,1298 679.32,1299 466,1300 187,1301 504.131,1302 211.408,1303 504.455,1304 748.19,1305 471,1306 5.495} {0 CHEMBL1803069,1 1.614,2 10.042,3 3.02,4 9.122,5 90.903,6 8.24,7 0.444,8 3.807,9 3.903,10 3.469,11 3.34,12 4.981,13 3.359,14 4.31,15 4.443,16 3.836,17 3.705,18 5.501,19 3.714,20 4.43,21 4.593,22 3.786,23 3.75,24 5.628,25 3.727,26 4.467,27 4.669,28 3.601,29 3.659,30 5.58,31 3.607,32 4.33,33 4.539,34 3.585,35 3.578,36 5.44,37 3.548,38 4.302,39 4.481,40 3.606,41 3.576,42 5.503,43 3.553,44 4.301,45 4.485,46 3.512,47 3.51,48 5.532,49 3.464,50 4.219,51 4.444,52 3.306,53 3.358,54 5.342,55 3.282,56 0.068,57 0.57,58 6.483,59 3.303,60 6.062,61 3.727,62 0.412,63 0.913,64 13.107,65 5.406,66 19.508,67 6.152,68 0.266,69 1.015,70 15.185,71 6.249,72 25.569,73 7.603,74 0.424,75 1.022,76 18.115,77 6.269,78 43.155,79 7.719,80 0.292,81 0.91,82 15.82,83 5.535,84 27.763,85 7.081,86 0.299,87 0.875,88 14.324,89 5.368,90 28.299,91 6.522,92 0.42,93 0.829,94 14.929,95 5.649,96 39.676,97 6.996,98 0.405,99 0.732,100 15.403,101 5.616,102 38.103,103 7.465,104 5,105 38,106 0.285,107 0.624,108 0.744,109 0.844,110 0.865,111 0.865,112 3.229,113 0.834,114 -4,115 -3.96,116 -3.75,119 46.2,123 1,125 1,130 1,132 1,133 8,134 1,135 3,147 1,148 1,159 8,161 3,162 3,164 2,166 2,168 8,171 1,172 7,176 2,178 4,182 11,185 1,187 2,194 10,199 1,205 1,206 6,211 2,213 2,216 3,217 2,222 1,224 4,228 2,229 1,232 1,237 7,245 1,250 7,255 810,256 16.447,257 16.447,258 16.447,259 16.447,260 16.447,261 14.514,262 20.167,263 9.701,264 16.786,265 13.34,266 13.34,267 13.34,268 13.34,269 13.34,270 10.287,271 26.377,272 4.652,273 13.888,274 3.671,275 1.747,276 1.064,277 0.5,278 0.378,279 0.378,280 3.927,283 1,284 1,285 537,286 2.449,288 122.431,289 142.708,291 99.919,295 1.712,296 22.181,297 1,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 52.5,307 241,308 4.457,309 3.815,310 6.618,311 4.102,312 3.151,313 3.989,314 1.399,315 10.43,316 3.002,317 4.275,318 3.305,319 6.194,320 3.884,321 2.933,322 3.785,323 1.392,324 9.258,325 2.784,326 3.912,327 2.947,328 5.626,329 3.508,330 2.536,331 3.441,332 1.005,333 7.556,334 2.461,335 3.654,336 2.49,337 5.333,338 3.282,339 2.31,340 2.965,341 0.532,342 6.842,343 2.236,344 3.321,345 2.446,346 5.093,347 2.88,348 1.909,349 2.499,350 0.27,351 5.816,352 1.841,353 2.973,354 2.007,355 4.642,356 2.534,357 1.584,358 2.033,359 0.204,360 4.526,361 1.501,362 2.885,363 1.982,364 4.362,365 2.476,366 1.534,367 2.012,369 4.195,370 1.437,371 2.859,372 1.675,373 3.606,374 2.357,375 1.373,376 1.963,378 3.022,379 1.344,380 2.5,381 1.544,382 3.455,383 2.092,384 1.098,385 1.5,386 2.452,387 1.09,388 2.202,389 1.23,390 3.247,391 2,392 1,393 1.181,394 2.136,395 1,396 1.885,397 1,398 3.168,399 1.465,400 0.51,401 0.62,402 1.235,403 0.481,404 1.654,405 0.791,406 3,407 1.292,408 0.304,409 0.385,411 0.73,412 0.297,413 1.318,414 0.276,415 2.878,416 0.92,417 -0.03,418 -0.038,420 -0.083,421 -0.028,422 0.887,423 -0.095,424 2.367,425 0.547,426 -0.434,427 -0.533,429 -1.079,430 -0.421,431 0.625,432 -0.491,433 2.236,434 0.175,435 -0.792,436 -1.06,438 -2.04,439 -0.762,440 11.2,441 0.467,442 0.554,443 0.023,444 34.5,445 1.438,446 18,447 0.75,448 16.5,449 0.688,450 14.971,451 0.624,452 24.8,453 0.636,454 24.439,455 1.018,456 7.163,457 0.298,458 4.54,459 0.189,460 0.074,462 0.348,466 0.832,467 1.324,468 0.675,469 1.069,470 0.643,471 0.877,472 0.936,473 0.868,474 0.819,475 0.831,476 0.692,477 0.807,478 0.907,479 1.279,480 0.979,481 1.171,482 0.857,483 1.1,484 1.174,485 1.083,486 1.184,487 0.997,488 1.376,489 1.064,490 0.982,491 1.017,492 0.899,493 0.85,494 1.012,495 0.836,496 1.055,497 1.087,498 1.005,499 1.01,500 1.355,501 0.987,502 0.91,503 1.037,504 1.055,505 1.1,506 1.494,507 1.107,508 0.694,509 0.863,510 0.885,511 0.974,512 1.141,513 0.976,514 4.5,515 0.062,516 2.444,517 1.958,518 0.969,519 0.803,520 0.492,521 0.346,522 0.212,523 0.069,524 6997,525 19708,526 2.161,527 38.5,529 12,530 2,532 1,536 1.667,537 2.057,538 3.322,539 -0.301,540 1,541 1,543 1,545 62.959,546 1.614,547 3.538,548 4.221,549 4.785,550 4.907,551 4.907,552 2.792,553 4.335,554 4.557,555 3.476,556 959.369,557 7.854,558 11286.9,559 1,560 1,561 1,562 1,563 206.131,564 1.281,565 4.532,566 0.167,567 0.005,568 0.064,569 0.056,570 0.035,571 0.028,572 0.017,573 0.014,574 0.011,575 0.005,576 0.4,577 0.5,578 1,579 0.49,580 114.381,581 -0.065,582 -0.228,583 0.062,584 -0.11,585 -0.094,586 -0.017,587 0.124,588 0.208,589 0.043,590 0.107,591 0.019,592 0.06,593 -0.046,594 -0.242,595 -0.092,596 -0.22,597 0.055,598 -0.177,599 -0.175,600 -0.063,601 -0.199,602 -0.061,603 -0.174,604 -0.119,605 -0.123,606 0.014,607 0.076,608 0.096,609 -0.022,610 0.131,611 -0.093,612 -0.054,613 -0.069,614 -0.066,615 -0.048,616 -0.058,617 0.142,618 -0.063,619 -0.077,620 -0.134,621 -0.006,622 -0.148,623 0.273,624 0.043,625 0.172,626 0.028,627 0.112,628 0.068,629 1.828,630 5.391,631 0.833,632 20.146,633 1.015,634 1.118,635 2.774,636 7.693,637 0.691,638 3.332,639 3.664,640 3.951,641 4.205,642 4.357,643 4.394,644 4.543,645 4.682,646 4.71,647 4.787,648 6.032,649 0.676,650 321.36,651 3.332,652 4.875,653 5.733,654 6.611,655 7.483,656 8.365,657 9.242,658 10.127,659 11.007,660 11.894,661 7.7,666 1,668 1,670 1,675 8,680 4,682 12,692 1,697 2,699 39,700 15,701 2,702 27,704 42,705 18,706 12,707 4,708 8,709 4,710 4,711 5,714 1,721 16,722 2,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 6,738 1,739 6,743 3,747 0.75,748 3,759 2,760 2,762 1,767 1,770 2,777 3,781 1,785 24,789 1,790 1,791 2,794 1,801 7.7,804 1,806 2,808 11.667,809 7.4,810 5.194,811 2.164,812 3.068,813 1.42,814 1.016,815 3.805,816 10.37,817 3.611,818 4.19,819 4.754,820 5.276,821 5.766,822 5.961,823 6.37,824 6.794,825 7.093,826 7.386,827 0.857,828 35,829 8.836,831 3.791,832 7.778,833 16.674,835 13.545,837 2.278,838 54.667,842 164.795,843 126.123,844 37.921,846 47.145,849 126.123,850 211.94,851 37.921,852 8.396,853 9.775,854 85.286,855 50.617,856 55.214,857 25.441,858 141.253,860 164.795,861 164.043,862 47.145,865 164.795,866 47.145,869 26.56,870 107.239,871 30.244,873 164.795,874 85.065,875 126.123,878 164.795,879 32.44,880 96.807,881 18.011,882 63.93,883 164.795,884 85.065,885 126.123,887 0.585,888 0.346,889 0.184,890 0.094,891 20,892 8,893 0.071,894 3,895 1,896 1.1,897 3.738,898 197.687,899 0.1,900 20,901 106.039,904 14.937,905 6.113,906 2.948,908 85.065,909 15.131,914 3.095,916 18.011,917 375.983,918 36,922 12.391,923 1.737,924 4.405,925 0.707,926 39.589,927 43.614,928 0.305,929 0.669,930 0.799,931 0.905,932 0.928,933 0.928,934 4.852,935 1.373,936 5.714,937 4.195,938 4.344,939 4.875,940 2.409,941 6.518,942 4.264,943 6.053,944 1.098,945 7.268,946 3.022,947 3.892,948 4.575,949 0.81,950 7.361,951 3.753,952 7.356,953 1,954 8.92,955 2.452,956 5.932,957 7.009,958 2.778,959 10.473,960 5.764,961 8.695,962 0.51,963 10.63,964 2.136,965 6.33,966 7.509,967 1.554,968 12.154,969 6.091,970 10.064,971 0.304,972 12.377,973 1.235,974 7.815,975 9.405,976 3.292,977 14.761,978 7.551,979 11.456,980 -0.03,981 14.15,982 0.73,983 8.603,984 10.286,985 2.257,986 16.796,987 8.267,988 12.864,989 -0.434,990 15.942,991 -0.083,992 9.866,993 11.937,994 3.873,995 19.225,996 9.502,997 3.151,998 -0.792,999 17.749,1000 -1.079,1001 10.836,1002 13.023,1003 2.951,1004 21.418,1005 10.403,1006 2.933,1007 10.43,1008 19.566,1009 -2.04,1010 12.011,1011 14.545,1012 4.489,1013 23.78,1014 11.542,1015 2.536,1016 9.258,1017 21.394,1018 3.989,1019 13.064,1020 15.746,1021 3.641,1022 26.045,1023 12.532,1024 2.31,1025 7.556,1026 23.228,1027 3.785,1028 14.206,1029 17.199,1030 5.126,1031 28.384,1032 13.632,1033 1.909,1034 6.842,1035 25.07,1036 3.441,1037 15.298,1038 18.466,1039 4.328,1040 30.683,1041 14.667,1042 1.584,1043 5.816,1044 26.917,1045 2.965,1046 16.429,1047 19.88,1048 5.774,1049 33.015,1050 15.753,1051 1.534,1052 4.526,1053 28.768,1054 2.499,1055 17.541,1056 21.187,1057 5.012,1058 35.33,1059 16.81,1060 6501,1061 11054,1062 18.493,1063 26.949,1064 41.15,1065 42.34,1066 41.255,1067 40.547,1068 40.485,1069 52.745,1070 9.603,1071 116.397,1072 38.947,1073 5.356,1074 5.815,1075 6.42,1076 5.146,1077 5.151,1078 6.989,1079 2.791,1080 17.511,1081 5.002,1082 8.337,1083 1.524,1084 1.568,1085 1.528,1086 1.502,1087 1.499,1088 1.954,1089 0.356,1090 4.311,1091 1.442,1092 4.008,1093 4.034,1094 3.97,1095 3.905,1096 7.428,1097 3.915,1098 3.901,1099 3.929,1100 3.845,1101 3.819,1102 5.014,1103 3.817,1104 3.768,1105 3.802,1106 3.725,1107 3.58,1108 4.835,1109 3.616,1110 3.341,1111 3.376,1112 3.246,1113 3.11,1114 4.656,1115 3.137,1116 3.092,1117 3.186,1118 2.984,1119 2.882,1120 4.345,1121 2.892,1122 3.071,1123 3.133,1124 2.896,1125 2.848,1126 3.992,1127 2.85,1128 2.854,1129 2.925,1130 2.707,1131 2.735,1132 3.857,1133 2.715,1134 2.848,1135 2.899,1136 2.687,1137 2.693,1138 3.854,1139 2.686,1140 0.165,1141 0.141,1142 0.245,1143 0.152,1144 0.117,1145 4.457,1146 0.148,1147 3.815,1148 0.052,1149 6.618,1150 0.386,1151 4.102,1152 0.111,1153 3.151,1154 3.989,1155 1.399,1156 10.43,1157 3.002,1158 1.895,1159 1.877,1160 2.011,1161 1.993,1162 1.098,1163 2,1164 1.883,1165 1.854,1166 1.975,1167 1.967,1168 1.063,1169 1.97,1170 1.469,1171 1.439,1172 1.68,1173 1.73,1174 0.742,1175 1.712,1176 1.408,1177 1.34,1178 1.508,1179 1.598,1180 0.586,1181 1.569,1182 1.157,1183 1.124,1184 1.433,1185 1.516,1186 0.56,1187 1.482,1188 1.005,1189 0.925,1190 1.259,1191 1.263,1192 0.297,1193 1.277,1194 0.886,1195 0.821,1196 1.181,1197 1.062,1198 0.218,1199 1.107,1200 0.794,1201 0.747,1202 1.081,1203 0.995,1204 0.153,1205 1.021,1206 4.007,1208 5.333,1209 3.045,1210 6.843,1211 5.416,1212 8.432,1213 7.496,1214 10.062,1216 1.692,1222 0.223,1223 3.148,1224 10.646,1227 1.492,1231 26.369,1232 62.959,1233 137.992,1234 164.621,1235 186.621,1236 191.376,1237 191.376,1238 30.657,1239 7.302,1240 65.38,1241 65.38,1242 22,1243 12.426,1244 4,1245 3.322,1246 33.937,1247 86,1248 82,1249 0.191,1250 159.884,1251 284.33,1252 381.877,1253 14610,1255 16.518,1256 0.688,1257 0.543,1258 16.518,1259 13.022,1260 11.704,1261 0.433,1262 0.278,1263 7.365,1264 11.17,1265 7.199,1266 5.979,1267 11.704,1268 7.507,1269 10.58,1270 0.278,1271 0.143,1272 10.58,1273 5.433,1274 9.317,1275 0.183,1276 0.074,1277 9.317,1278 3.798,1279 7.591,1280 0.115,1281 0.038,1282 7.591,1283 2.522,1284 5.83,1285 0.076,1286 0.021,1287 5.83,1288 1.595,1289 0.3,1290 74.053,1291 0.233,1292 23.55,1293 0.524,1294 130,1295 416.83,1296 146.21,1297 395.293,1298 546.22,1299 372,1300 154,1301 408.785,1302 171.155,1303 412.31,1304 606.78,1305 386,1306 6.509} {0 CHEMBL1803070,1 1.662,2 10.72,3 2.753,4 7.578,5 92.597,6 8.434,7 0.429,8 3.843,9 3.932,10 3.51,11 3.349,12 5.064,13 3.381,14 4.333,15 4.457,16 3.891,17 3.718,18 5.578,19 3.743,20 4.469,21 4.617,22 3.849,23 3.773,24 5.739,25 3.766,26 4.52,27 4.718,28 3.645,29 3.689,30 5.665,31 3.643,32 4.371,33 4.582,34 3.627,35 3.598,36 5.504,37 3.569,38 4.326,39 4.499,40 3.644,41 3.585,42 5.559,43 3.574,44 4.337,45 4.514,46 3.598,47 3.529,48 5.629,49 3.496,50 4.267,51 4.48,52 3.441,53 3.382,54 5.466,55 3.346,56 0.132,57 0.585,58 6.492,59 3.39,60 11.135,61 3.605,62 0.461,63 0.927,64 12.823,65 5.489,66 20.785,67 6.023,68 0.38,69 1.038,70 15.083,71 6.356,72 32.229,73 7.298,74 0.551,75 1.053,76 18.948,77 6.537,78 54.338,79 7.882,80 0.402,81 0.932,82 16.578,83 5.776,84 33.965,85 7.516,86 0.39,87 0.888,88 14.282,89 5.33,90 33.788,91 6.264,92 0.536,93 0.843,94 15.2,95 5.812,96 44.993,97 7.229,98 0.488,99 0.755,100 15.923,101 5.541,102 44.365,103 7.168,104 10,105 40,106 0.291,107 0.662,108 0.771,109 0.848,110 0.869,111 0.869,112 3.267,113 0.819,114 -3.24,115 -3.23,116 -3.1,119 45,123 1,125 1,130 1,132 1,133 7,134 1,135 4,147 1,148 1,159 6,161 3,162 3,164 2,166 4,168 6,171 1,172 7,176 4,178 4,182 11,185 1,187 1,194 10,198 1,199 1,205 1,206 4,211 2,213 2,216 3,217 2,220 2,222 1,224 4,228 2,232 1,237 6,245 2,247 1,250 6,255 908,256 16.894,257 16.894,258 16.894,259 16.894,260 16.894,261 14.937,262 22.323,263 9.787,264 17.275,265 13.806,266 13.806,267 13.806,268 13.806,269 13.806,270 10.691,271 27.54,272 4.688,273 14.435,274 3.66,275 1.55,276 0.929,277 0.488,278 0.369,279 0.369,280 3.963,283 1,284 1,285 594,286 2.55,288 130.406,289 150.739,291 106.45,295 1.834,296 28.588,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 55.5,307 268,308 4.458,309 3.815,310 6.618,311 4.102,312 3.151,313 3.989,314 1.399,315 10.43,316 3.002,317 4.275,318 3.305,319 6.194,320 3.885,321 2.933,322 3.791,323 1.392,324 9.258,325 2.784,326 4.012,327 2.959,328 5.633,329 3.589,330 2.618,331 3.599,332 1.005,333 7.599,334 2.538,335 3.684,336 2.673,337 5.375,338 3.308,339 2.343,340 2.989,341 0.532,342 6.941,343 2.252,344 3.461,345 2.478,346 5.14,347 3.084,348 2.127,349 2.733,350 0.27,351 6.079,352 2.023,353 3.215,354 2.25,355 4.878,356 2.78,357 1.821,358 2.378,359 0.204,360 5.473,361 1.737,362 2.97,363 2.006,364 4.617,365 2.483,366 1.535,367 2.028,369 4.474,370 1.448,371 2.885,372 1.982,373 4.362,374 2.472,375 1.528,376 1.981,378 4.194,379 1.431,380 2.5,381 1.675,382 3.455,383 2.092,384 1.098,385 1.5,386 2.452,387 1.09,388 2.202,389 1.287,390 3.414,391 2,392 1,393 1.181,394 2.275,395 1,396 1.887,397 1,398 3.191,399 1.47,400 0.512,401 0.623,402 1.239,403 0.484,404 1.66,405 0.793,406 3.051,407 1.328,408 0.357,409 0.435,411 0.859,412 0.342,413 1.469,414 0.508,415 2.917,416 1.035,417 0.087,418 0.115,420 0.217,421 0.082,422 0.989,423 0.038,424 2.368,425 0.686,426 -0.271,427 -0.317,429 -0.681,430 -0.255,431 0.737,432 -0.199,433 2.276,434 0.32,435 -0.638,436 -0.821,438 -1.683,439 -0.605,440 11.533,441 0.461,442 0.661,443 0.026,444 35.75,445 1.43,446 18.5,447 0.74,448 17.25,449 0.69,450 15.902,451 0.636,452 26.267,453 0.657,454 26.278,455 1.051,456 7.404,457 0.296,458 4.693,459 0.188,460 0.101,462 0.382,466 0.9,467 1.306,468 0.687,469 1.044,470 0.778,471 0.852,472 0.889,473 0.889,474 0.776,475 0.845,476 0.637,477 0.793,478 0.974,479 1.302,480 1.021,481 1.196,482 0.928,483 1.131,484 1.116,485 1.083,486 1.205,487 1.006,488 1.227,489 1.093,490 0.788,491 1.008,492 0.84,493 0.851,494 0.761,495 0.841,496 1.032,497 1.086,498 1.031,499 1.004,500 1.194,501 0.998,502 0.729,503 1.041,504 0.967,505 1.105,506 1.164,507 1.107,508 0.786,509 0.855,510 0.849,511 0.943,512 1.09,513 0.915,514 5.5,515 0.095,516 2.889,517 2.021,518 1.161,519 0.858,520 0.572,521 0.407,522 0.292,523 0.081,524 7814,525 24111,526 2.13,527 37.5,529 11,530 2,532 2,536 1.678,537 2,538 3.398,539 0.312,540 1,541 1,543 1,545 66.46,546 1.662,547 3.772,548 4.393,549 4.834,550 4.953,551 4.953,552 2.903,553 4.263,554 4.615,555 3.554,556 1066.08,557 7.968,558 12980.3,559 1,560 1,561 1,562 1,563 212.877,564 1.388,565 4.579,566 0.196,567 0.007,568 0.072,569 0.055,570 0.04,571 0.029,572 0.019,573 0.015,574 0.013,575 0.005,576 0.451,577 0.5,578 1,579 0.553,580 121.245,581 -0.118,582 -0.195,583 0.034,584 -0.065,585 -0.142,586 0.007,587 0.072,588 0.2,589 0.059,590 0.108,591 0.026,592 0.079,593 -0.106,594 -0.255,595 -0.156,596 -0.238,597 -0.018,598 -0.216,599 -0.189,600 -0.069,601 -0.223,602 -0.064,603 -0.188,604 -0.132,605 -0.027,606 0.016,607 0.137,608 0.106,609 0.035,610 0.158,611 -0.133,612 -0.036,613 -0.111,614 -0.06,615 -0.1,616 -0.068,617 0.235,618 -0.064,619 0.006,620 -0.134,621 0.052,622 -0.134,623 0.185,624 0.074,625 0.209,626 0.04,627 0.059,628 0.118,629 1.876,630 5.405,631 0.8,632 22.093,633 1.023,634 1.121,635 2.015,636 4.059,637 0.685,638 3.367,639 3.714,640 3.989,641 4.234,642 4.407,643 4.443,644 4.585,645 4.736,646 4.779,647 4.868,648 6.314,649 0.677,650 337.36,651 3.367,652 4.92,653 5.778,654 6.658,655 7.53,656 8.412,657 9.29,658 10.174,659 11.055,660 11.94,661 7.5,666 1,668 1,670 1,675 7,680 5,682 12,692 1,696 1,697 2,699 40,700 15,701 2,702 28,704 43,705 18,706 12,707 5,708 7,709 4,710 4,711 5,714 1,721 16,722 2,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 7,738 2,739 7,743 3,747 0.75,748 4,759 2,760 2,762 1,767 1,770 2,777 3,781 1,785 25,788 1,789 1,790 1,791 2,794 1,801 10,803 1,804 1,806 2,808 12.5,809 7.517,810 5.361,811 2.158,812 3.097,813 1.418,814 0.985,815 4.012,816 10.499,817 3.638,818 4.234,819 4.792,820 5.31,821 5.818,822 6.016,823 6.404,824 6.824,825 7.142,826 7.439,827 1,828 37,829 9.201,831 3.984,832 7.913,833 17.149,835 13.957,837 2.413,838 60.333,841 1,842 153.024,843 116.646,844 37.921,846 89.828,849 116.646,850 242.852,851 37.921,852 8.396,853 9.775,854 75.81,855 93.3,856 55.214,857 25.441,858 129.482,860 153.024,861 154.567,862 89.828,865 153.024,866 89.828,869 26.56,870 97.763,871 30.244,873 153.024,874 127.749,875 116.646,878 153.024,879 32.44,880 87.331,881 18.011,882 106.614,883 153.024,884 127.749,885 116.646,887 0.592,888 0.347,889 0.179,890 0.094,891 21,892 9,893 0.07,894 3,895 1,896 1.1,897 3.802,898 208.736,899 0.1,900 20,901 112.096,904 15.842,905 6.331,906 3.149,908 127.749,909 11.979,914 3.04,916 60.694,917 397.419,918 37,922 12.405,923 1.701,924 4.365,925 0.532,926 40.916,927 44.824,928 0.312,929 0.709,930 0.825,931 0.908,932 0.931,933 0.931,934 4.89,935 1.528,936 5.771,937 4.474,938 4.394,939 4.92,940 2.409,941 6.578,942 4.308,943 6.104,944 1.098,945 7.331,946 4.194,947 4.007,948 4.705,949 0.81,950 7.427,951 3.859,952 7.415,953 1,954 8.985,955 2.452,956 5.994,957 7.072,958 2.778,959 10.517,960 5.819,961 8.759,962 0.512,963 10.692,964 2.275,965 6.415,966 7.622,967 1.554,968 12.185,969 6.171,970 10.132,971 0.357,972 12.435,973 1.239,974 7.873,975 9.477,976 3.292,977 14.785,978 7.605,979 11.525,980 0.087,981 14.201,982 0.859,983 8.665,984 10.387,985 2.257,986 16.811,987 8.327,988 12.933,989 -0.271,990 15.987,991 0.217,992 9.915,993 12.013,994 3.873,995 19.237,996 9.548,997 3.151,998 -0.638,999 17.786,1000 -0.681,1001 10.883,1002 13.114,1003 2.951,1004 21.425,1005 10.45,1006 2.933,1007 10.43,1008 19.598,1009 -1.683,1010 12.05,1011 14.622,1012 4.489,1013 23.786,1014 11.581,1015 2.618,1016 9.258,1017 21.42,1018 3.989,1019 13.1,1020 15.831,1021 3.641,1022 26.049,1023 12.57,1024 2.343,1025 7.599,1026 23.251,1027 3.791,1028 14.236,1029 17.275,1030 5.126,1031 28.387,1032 13.665,1033 2.127,1034 6.941,1035 25.088,1036 3.599,1037 15.326,1038 18.546,1039 4.328,1040 30.685,1041 14.698,1042 1.821,1043 6.079,1044 26.932,1045 2.989,1046 16.453,1047 19.954,1048 5.774,1049 33.017,1050 15.78,1051 1.535,1052 5.473,1053 28.781,1054 2.733,1055 17.562,1056 21.262,1057 5.012,1058 35.332,1059 16.835,1060 7304,1061 12957,1062 18.898,1063 27.404,1064 42.995,1065 44.176,1066 43.406,1067 42.278,1068 42.217,1069 54.684,1070 9.603,1071 122.977,1072 40.426,1073 5.358,1074 5.815,1075 6.129,1076 5.15,1077 5.151,1078 6.989,1079 2.791,1080 17.512,1081 5.002,1082 10.916,1083 1.536,1084 1.578,1085 1.55,1086 1.51,1087 1.508,1088 1.953,1089 0.343,1090 4.392,1091 1.444,1092 4.009,1093 4.034,1094 3.972,1095 3.905,1096 7.428,1097 3.915,1098 3.906,1099 3.929,1100 3.855,1101 3.817,1102 6.471,1103 3.82,1104 3.771,1105 3.802,1106 3.734,1107 3.58,1108 5.013,1109 3.617,1110 3.342,1111 3.376,1112 3.248,1113 3.11,1114 4.795,1115 3.138,1116 3.106,1117 3.19,1118 3.03,1119 2.883,1120 4.572,1121 2.903,1122 3.091,1123 3.144,1124 2.9,1125 2.853,1126 4.335,1127 2.86,1128 2.854,1129 2.925,1130 2.707,1131 2.735,1132 3.988,1133 2.715,1134 2.851,1135 2.902,1136 2.687,1137 2.694,1138 3.855,1139 2.687,1140 0.159,1141 0.136,1142 0.236,1143 0.147,1144 0.113,1145 4.458,1146 0.142,1147 3.815,1148 0.05,1149 6.618,1150 0.373,1151 4.102,1152 0.107,1153 3.151,1154 3.989,1155 1.399,1156 10.43,1157 3.002,1158 1.893,1159 1.877,1160 1.986,1161 1.994,1162 1.098,1163 1.991,1164 1.876,1165 1.851,1166 1.973,1167 1.967,1168 1.052,1169 1.969,1170 1.468,1171 1.439,1172 1.678,1173 1.731,1174 0.741,1175 1.712,1176 1.406,1177 1.341,1178 1.506,1179 1.599,1180 0.586,1181 1.568,1182 1.157,1183 1.124,1184 1.433,1185 1.516,1186 0.559,1187 1.482,1188 1.001,1189 0.934,1190 1.233,1191 1.282,1192 0.25,1193 1.28,1194 0.886,1195 0.821,1196 1.181,1197 1.062,1198 0.218,1199 1.107,1200 0.794,1201 0.747,1202 1.081,1203 1.025,1204 0.153,1205 1.021,1206 4.043,1208 5.38,1209 3.045,1210 6.895,1211 5.416,1212 8.487,1213 7.496,1214 10.119,1216 1.648,1221 9.334,1222 0.204,1223 3.064,1224 10.626,1227 1.436,1231 27.084,1232 66.46,1233 150.861,1234 175.716,1235 193.367,1236 198.122,1237 198.122,1238 36.526,1239 7.402,1240 85.61,1241 85.61,1242 22,1243 12.473,1244 4,1245 3.322,1246 36.033,1247 94,1248 98,1249 0.186,1250 163.88,1251 293.12,1252 391.628,1253 16603,1255 17.389,1256 0.696,1257 0.536,1258 17.389,1259 13.392,1260 12.097,1261 0.432,1262 0.273,1263 7.484,1264 11.493,1265 7.325,1266 6.066,1267 12.097,1268 7.642,1269 11.202,1270 0.28,1271 0.14,1272 11.202,1273 5.614,1274 9.728,1275 0.184,1276 0.073,1277 9.728,1278 3.891,1279 7.733,1280 0.114,1281 0.037,1282 7.733,1283 2.545,1284 6.121,1285 0.076,1286 0.02,1287 6.121,1288 1.635,1289 0.293,1290 76.994,1291 0.23,1292 24.443,1293 0.506,1294 136,1295 456.979,1296 154.313,1297 431.64,1298 589.89,1299 404,1300 161,1301 437.815,1302 179.816,1303 440.485,1304 646.88,1305 412,1306 6.357} {0 CHEMBL1803071,1 1.637,2 11.423,3 3.004,4 9.023,5 97.367,6 8.172,7 0.414,8 3.903,9 3.996,10 3.553,11 3.397,12 5.082,13 3.425,14 4.414,15 4.552,16 3.916,17 3.756,18 5.598,19 3.778,20 4.502,21 4.648,22 3.892,23 3.826,24 5.72,25 3.817,26 4.582,27 4.773,28 3.708,29 3.784,30 5.695,31 3.73,32 4.502,33 4.728,34 3.669,35 3.708,36 5.565,37 3.653,38 4.429,39 4.625,40 3.679,41 3.65,42 5.585,43 3.623,44 4.38,45 4.56,46 3.633,47 3.574,48 5.621,49 3.541,50 4.343,51 4.561,52 3.515,53 3.459,54 5.465,55 3.418,56 0.098,57 0.623,58 7.416,59 3.724,60 6.933,61 4.202,62 0.526,63 0.977,64 15.646,65 6.001,66 25.644,67 6.794,68 0.344,69 1.078,70 16.236,71 6.664,72 27.637,73 7.915,74 0.507,75 1.127,76 20.038,77 7.086,78 46.105,79 8.78,80 0.401,81 1.047,82 19.678,83 6.856,84 33.433,85 9.314,86 0.389,87 0.968,88 17.355,89 6.135,90 33.163,91 7.824,92 0.54,93 0.892,94 16.252,95 5.851,96 42.835,97 7.406,98 0.465,99 0.817,100 17.429,101 6.041,102 40.256,103 8.067,104 11,105 41,106 0.283,107 0.628,108 0.77,109 0.841,110 0.86,111 0.86,112 3.304,113 0.831,114 -3.48,115 -3.45,116 -3.3,119 44.2,123 2,125 1,130 1,132 1,133 7,134 1,135 4,147 1,148 1,159 6,161 3,162 5,164 2,166 2,168 6,171 1,172 9,176 2,178 4,182 11,185 1,187 1,194 10,197 1,199 1,205 1,206 4,211 2,213 2,216 5,217 2,222 1,224 4,228 2,232 1,237 6,241 1,242 1,245 1,250 6,255 1014,256 17.765,257 17.765,258 17.765,259 17.765,260 17.765,261 15.859,262 24.48,263 10.285,264 18.283,265 14.234,266 14.234,267 14.234,268 14.234,269 14.234,270 11.114,271 31.028,272 4.827,273 14.973,274 3.79,275 1.794,276 0.975,277 0.564,278 0.454,279 0.454,280 4.001,283 1,284 1,285 655,286 2.739,288 138.523,289 159.193,291 113.114,295 1.962,296 25.672,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 57.5,307 297,308 4.458,309 3.815,310 6.618,311 4.102,312 3.151,313 3.989,314 1.399,315 10.43,316 3.002,317 4.275,318 3.305,319 6.194,320 3.885,321 2.933,322 3.792,323 1.392,324 9.258,325 2.784,326 4.034,327 2.973,328 5.64,329 3.613,330 2.647,331 3.618,332 1.005,333 7.642,334 2.552,335 3.692,336 2.811,337 5.431,338 3.318,339 2.359,340 2.995,341 0.86,342 7.074,343 2.256,344 3.497,345 2.48,346 5.212,347 3.137,348 2.186,349 2.774,350 0.532,351 6.45,352 2.065,353 3.234,354 2.335,355 5.021,356 2.798,357 1.838,358 2.393,359 0.27,360 5.678,361 1.753,362 2.97,363 2.006,364 4.629,365 2.486,366 1.536,367 2.028,368 0.204,369 4.489,370 1.45,371 2.885,372 1.982,373 4.362,374 2.473,375 1.532,376 1.982,378 4.195,379 1.432,380 2.5,381 1.675,382 3.456,383 2.092,384 1.098,385 1.5,386 2.452,387 1.09,388 2.202,389 1.319,390 3.414,391 2,392 1,393 1.181,394 2.275,395 1,396 1.89,397 1.1,398 3.204,399 1.509,400 0.607,401 0.685,402 1.248,403 0.536,404 1.758,405 1,406 3.08,407 1.442,408 0.506,409 0.61,411 1.091,412 0.472,413 1.644,414 0.791,415 2.934,416 1.254,417 0.284,418 0.357,420 0.603,421 0.272,422 1.263,423 0.351,424 2.648,425 0.907,426 -0.027,427 -0.034,429 -0.065,430 -0.025,431 0.895,432 -0.046,433 2.367,434 0.573,435 -0.391,436 -0.464,438 -0.895,439 -0.371,440 12.033,441 0.463,442 0.623,443 0.024,444 36.5,445 1.404,446 18.5,447 0.712,448 18,449 0.692,450 17.243,451 0.663,452 27.567,453 0.641,454 27.14,455 1.044,456 7.648,457 0.294,458 4.987,459 0.192,460 0.111,462 0.366,466 0.859,467 1.391,468 0.683,469 1.149,470 0.666,471 0.921,472 1.084,473 0.809,474 0.81,475 0.746,476 0.75,477 0.72,478 0.99,479 1.297,480 0.996,481 1.173,482 0.892,483 1.097,484 1.106,485 1.141,486 1.226,487 1.077,488 1.351,489 1.152,490 0.726,491 1.022,492 0.854,493 0.905,494 0.879,495 0.897,496 0.957,497 1.083,498 0.941,499 0.973,500 1.261,501 0.945,502 0.809,503 1.026,504 1.014,505 1.069,506 1.44,507 1.084,508 0.742,509 0.952,510 0.779,511 0.962,512 1.094,513 0.897,514 5.5,515 0.095,516 2.889,517 2.021,518 1.201,519 0.921,520 0.572,521 0.407,522 0.317,523 0.125,524 8743,525 25706,526 2.124,527 39.5,529 14,530 2,532 1,536 1.688,537 2,538 3.475,539 -0.294,540 1,541 1,545 70.377,546 1.637,547 3.632,548 4.451,549 4.862,550 4.973,551 4.973,552 2.988,553 4.47,554 4.669,555 3.637,556 1181.91,557 8.077,558 14910.2,560 1,562 1,563 233.329,564 1.37,565 4.637,566 0.19,567 0.006,568 0.07,569 0.052,570 0.039,571 0.03,572 0.018,573 0.015,574 0.013,575 0.006,576 0.439,577 0.33,578 1,579 0.721,580 128.298,581 -0.071,582 -0.266,583 0.066,584 -0.149,585 -0.093,586 -0.034,587 0.023,588 0.266,589 0.087,590 0.211,591 0.008,592 0.167,593 -0.102,594 -0.228,595 -0.133,596 -0.204,597 0.032,598 -0.182,599 -0.186,600 -0.109,601 -0.279,602 -0.129,603 -0.21,604 -0.207,605 0.002,606 -0.014,607 0.123,608 0.062,609 0.026,610 0.114,611 -0.074,612 -0.055,613 0.014,614 -0.018,615 -0.027,616 0.016,617 0.198,618 -0.007,619 -0.055,620 -0.117,621 0.014,622 -0.144,623 0.216,624 -0.022,625 0.258,626 0.017,627 0.117,628 0.123,629 1.848,630 5.472,631 0.769,632 24.462,633 1.019,634 1.122,635 2.247,636 5.049,637 0.678,638 3.401,639 3.738,640 4.025,641 4.263,642 4.431,643 4.489,644 4.625,645 4.771,646 4.828,647 4.927,648 6.63,649 0.665,650 351.39,651 3.401,652 4.949,653 5.808,654 6.686,655 7.559,656 8.44,657 9.317,658 10.2,659 11.081,660 11.966,661 7,666 1,668 1,670 1,675 7,680 5,682 12,692 1,697 3,699 43,700 15,701 2,702 29,704 46,705 19,706 12,707 5,708 7,709 4,710 4,711 5,714 1,721 16,722 3,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 17,737 7,738 1,739 7,743 3,747 0.75,748 4,759 2,760 2,762 1,767 1,770 2,777 3,781 2,785 26,789 1,790 1,791 3,794 1,801 9.3,804 1,806 3,808 13,809 8.483,810 5.694,811 2.317,812 3.119,813 1.416,814 0.995,815 4.468,816 10.612,817 3.664,818 4.248,819 4.816,820 5.332,821 5.838,822 6.056,823 6.439,824 6.845,825 7.163,826 7.474,827 0.875,828 39,829 9.565,831 4.065,832 7.801,833 17.983,835 14.433,837 2.301,838 59.833,841 1,842 188.338,843 132.773,844 37.921,846 58.145,849 132.773,850 246.482,851 37.921,852 19.279,853 9.775,854 75.81,855 50.617,856 71.458,857 25.441,858 164.795,860 188.338,861 170.693,862 58.145,865 188.338,866 58.145,869 26.56,870 113.89,871 30.244,873 188.338,874 96.065,875 132.773,878 188.338,879 37.683,880 98.214,881 18.011,882 74.93,883 188.338,884 96.065,885 132.773,887 0.586,888 0.352,889 0.181,890 0.092,891 21,892 9,893 0.087,894 4,895 1,896 1.1,897 3.898,898 218.775,899 0.1,900 20,901 118.211,904 16.787,905 6.92,906 3.38,908 96.065,909 12.897,914 3.761,916 18.011,917 417.176,918 38,922 12.472,923 1.726,924 4.417,925 0.633,926 43.8,927 48.239,928 0.302,929 0.669,930 0.82,931 0.896,932 0.916,933 0.916,934 4.913,935 1.532,936 5.796,937 4.489,938 4.419,939 4.934,940 2.533,941 6.603,942 4.325,943 6.119,944 1.098,945 7.356,946 4.195,947 4.007,948 4.705,949 0.81,950 7.459,951 3.859,952 7.429,953 1,954 9.01,955 2.452,956 6.019,957 7.084,958 2.844,959 10.543,960 5.833,961 8.773,962 0.607,963 10.718,964 2.275,965 6.431,966 7.633,967 1.554,968 12.212,969 6.181,970 10.146,971 0.506,972 12.46,973 1.248,974 7.896,975 9.488,976 3.322,977 14.805,978 7.618,979 11.539,980 0.284,981 14.227,982 1.091,983 8.684,984 10.4,985 2.257,986 16.829,987 8.339,988 12.947,989 -0.027,990 16.011,991 0.603,992 9.936,993 12.025,994 3.885,995 19.25,996 9.56,997 3.151,998 -0.391,999 17.81,1000 -0.065,1001 10.9,1002 13.128,1003 2.951,1004 21.435,1005 10.46,1006 2.933,1007 10.43,1008 19.62,1009 -0.895,1010 12.067,1011 14.634,1012 4.494,1013 23.794,1014 11.591,1015 2.647,1016 9.258,1017 21.441,1018 3.989,1019 13.115,1020 15.845,1021 3.641,1022 26.055,1023 12.579,1024 2.359,1025 7.642,1026 23.269,1027 3.792,1028 14.25,1029 17.287,1030 5.128,1031 28.392,1032 13.673,1033 2.186,1034 7.074,1035 25.105,1036 3.618,1037 15.338,1038 18.559,1039 4.328,1040 30.688,1041 14.705,1042 1.838,1043 6.45,1044 26.947,1045 2.995,1046 16.464,1047 19.966,1048 5.775,1049 33.019,1050 15.787,1051 1.536,1052 5.678,1053 28.794,1054 2.774,1055 17.572,1056 21.275,1057 5.012,1058 35.333,1059 16.841,1060 8211,1061 14222,1062 19.592,1063 29.165,1064 44.007,1065 45.447,1066 44.873,1067 43.386,1068 43.357,1069 55.807,1070 11.323,1071 125.768,1072 41.328,1073 5.359,1074 5.815,1075 6.171,1076 5.154,1077 5.151,1078 6.989,1079 2.791,1080 17.512,1081 5.002,1082 11.307,1083 1.517,1084 1.567,1085 1.547,1086 1.496,1087 1.495,1088 1.924,1089 0.39,1090 4.337,1091 1.425,1092 4.01,1093 4.035,1094 3.972,1095 3.905,1096 7.428,1097 3.916,1098 3.91,1099 3.931,1100 3.859,1101 3.82,1102 5.015,1103 3.824,1104 3.774,1105 3.805,1106 3.738,1107 3.581,1108 4.894,1109 3.618,1110 3.346,1111 3.38,1112 3.252,1113 3.113,1114 4.72,1115 3.141,1116 3.267,1117 3.33,1118 3.125,1119 2.988,1120 4.405,1121 3.009,1122 3.092,1123 3.176,1124 2.909,1125 2.876,1126 4.306,1127 2.875,1128 2.99,1129 3.071,1130 2.836,1131 2.745,1132 3.988,1133 2.744,1134 2.854,1135 2.925,1136 2.707,1137 2.735,1138 3.855,1139 2.715,1140 0.154,1141 0.132,1142 0.228,1143 0.141,1144 0.109,1145 4.458,1146 0.138,1147 3.815,1148 0.048,1149 6.618,1150 0.36,1151 4.102,1152 0.104,1153 3.151,1154 3.989,1155 1.399,1156 10.43,1157 3.002,1158 1.893,1159 1.877,1160 1.989,1161 1.999,1162 1.098,1163 1.996,1164 1.879,1165 1.855,1166 1.974,1167 1.968,1168 1.065,1169 1.97,1170 1.469,1171 1.439,1172 1.68,1173 1.736,1174 0.742,1175 1.715,1176 1.41,1177 1.346,1178 1.574,1179 1.61,1180 0.588,1181 1.583,1182 1.195,1183 1.128,1184 1.502,1185 1.519,1186 0.577,1187 1.515,1188 1.156,1189 1.116,1190 1.433,1191 1.495,1192 0.556,1193 1.48,1194 0.949,1195 0.86,1196 1.208,1197 1.226,1198 0.249,1199 1.24,1200 0.886,1201 0.821,1202 1.181,1203 1.062,1204 0.218,1205 1.107,1206 4.078,1208 5.407,1209 3.045,1210 6.921,1211 5.416,1212 8.512,1213 7.496,1214 10.144,1216 3.293,1222 0.213,1223 3.144,1224 15.804,1227 1.475,1231 28.611,1232 70.377,1233 156.168,1234 191.413,1235 209.065,1236 213.82,1237 213.82,1238 35.414,1239 7.493,1240 74.61,1241 74.61,1242 22,1243 12.499,1244 4,1245 3.322,1246 38.187,1247 103,1248 114,1249 0.18,1250 173.473,1251 310.42,1252 415.033,1253 18752,1255 18.096,1256 0.696,1257 0.552,1258 18.096,1259 14.353,1260 12.635,1261 0.436,1262 0.277,1263 7.846,1264 11.945,1265 7.634,1266 6.354,1267 12.635,1268 8.03,1269 11.371,1270 0.277,1271 0.141,1272 11.371,1273 5.795,1274 10.136,1275 0.184,1276 0.075,1277 10.136,1278 4.114,1279 8.044,1280 0.115,1281 0.038,1282 8.044,1283 2.675,1284 6.219,1285 0.075,1286 0.02,1287 6.219,1288 1.696,1289 0.286,1290 80.76,1291 0.226,1292 25.361,1293 0.486,1294 140,1295 472.565,1296 159.088,1297 441.594,1298 606.57,1299 416,1300 166,1301 449.33,1302 185.813,1303 452.848,1304 664.28,1305 422,1306 6.62} {0 CHEMBL1803072,1 1.686,2 10.926,3 2.788,4 7.775,5 96.67,6 8.699,7 0.387,8 3.919,9 3.996,10 3.622,11 3.402,12 5.101,13 3.454,14 4.45,15 4.562,16 4.018,17 3.784,18 5.676,19 3.832,20 4.511,21 4.646,22 3.944,23 3.834,24 5.739,25 3.841,26 4.575,27 4.753,28 3.771,29 3.77,30 5.711,31 3.739,32 4.465,33 4.671,34 3.703,35 3.666,36 5.56,37 3.641,38 4.399,39 4.57,40 3.746,41 3.639,42 5.606,43 3.637,44 4.404,45 4.57,46 3.754,47 3.585,48 5.654,49 3.588,50 4.363,51 4.547,52 3.628,53 3.5,54 5.581,55 3.494,56 0.167,57 0.618,58 6.255,59 3.621,60 8.561,61 3.612,62 0.711,63 0.992,64 14.448,65 5.965,66 29.378,67 5.891,68 0.454,69 1.08,70 14.391,71 6.601,72 27.414,73 7.146,74 0.667,75 1.111,76 18.472,77 6.895,78 49.078,79 7.794,80 0.532,81 1.012,82 17.945,83 6.313,84 35.214,85 7.902,86 0.528,87 0.945,88 15.102,89 5.726,90 33.866,91 6.685,92 0.612,93 0.905,94 15.562,95 5.978,96 43.752,97 7.131,98 0.685,99 0.832,100 16.498,101 5.781,102 49.021,103 6.876,104 5,105 45,106 0.292,107 0.633,108 0.734,109 0.823,110 0.864,111 0.88,112 3.34,113 0.805,114 -3.13,115 -3.13,116 -3.01,119 45.2,123 1,125 2,130 1,132 1,133 6,134 1,135 5,147 1,148 1,159 5,161 4,162 5,164 2,166 2,168 5,171 1,172 10,176 1,178 3,182 12,185 2,187 1,194 8,197 1,199 1,205 3,206 4,211 2,213 2,216 5,217 1,222 1,224 3,228 3,229 1,232 1,237 5,241 1,242 2,245 1,250 4,255 1061,256 18.549,257 18.549,258 18.549,259 18.549,260 18.549,261 16.644,262 26.767,263 10.694,264 19.033,265 15.311,266 15.311,267 15.311,268 15.311,269 15.311,270 12.138,271 35.922,272 5.105,273 16.091,274 3.707,275 1.734,276 1.149,277 0.637,278 0.399,279 0.304,280 4.052,283 1,284 1,285 674,286 2.646,288 201.476,289 140.873,291 225.077,295 1.866,296 29.903,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 60.5,307 295,308 4.46,309 3.815,310 6.618,311 4.104,312 3.154,313 3.993,314 1.399,315 10.433,316 3.003,317 4.295,318 3.312,319 6.196,320 3.897,321 2.944,322 3.93,323 1.392,324 9.271,325 2.797,326 4.26,327 3.305,328 6.192,329 3.871,330 2.921,331 3.765,332 1.392,333 9.244,334 2.767,335 3.726,336 2.925,337 5.608,338 3.362,339 2.405,340 3.028,341 1.005,342 7.459,343 2.29,344 3.554,345 2.481,346 5.295,347 3.211,348 2.242,349 2.852,350 0.532,351 6.718,352 2.16,353 3.247,354 2.37,355 5.069,356 2.812,357 1.847,358 2.404,359 0.532,360 5.745,361 1.77,362 2.97,363 2.006,364 4.637,365 2.49,366 1.538,367 2.028,368 0.27,369 4.509,370 1.455,371 2.886,372 1.991,373 4.364,374 2.477,375 1.534,376 2.023,377 0.204,378 4.203,379 1.438,380 2.885,381 1.982,382 4.36,383 2.473,384 1.533,385 1.982,386 4.187,387 1.431,388 2.206,389 1.729,390 3.46,391 2.094,392 1.1,393 1.184,394 2.454,395 1.092,396 2.202,397 1.674,398 3.451,399 2.09,400 1.097,401 1.181,402 2.45,403 1.088,404 1.888,405 1.275,406 3.205,407 1.484,408 0.524,409 0.635,411 1.266,412 0.496,413 1.731,414 0.818,415 3.104,416 1.426,417 0.491,418 0.585,420 1.196,421 0.455,422 1.642,423 0.783,424 2.98,425 1.251,426 0.271,427 0.345,429 0.654,430 0.262,431 1.228,432 0.293,433 2.898,434 0.889,435 -0.057,436 -0.071,438 -0.165,439 -0.054,440 12.367,441 0.458,442 0.674,443 0.025,444 38.5,445 1.426,446 19,447 0.704,448 19.5,449 0.722,450 17.957,451 0.665,452 28.433,453 0.677,454 28.287,455 1.048,456 7.929,457 0.294,458 5.241,459 0.194,460 0.067,462 0.396,466 0.881,467 1.379,468 0.627,469 1.141,470 0.68,471 0.876,472 1.065,473 0.791,474 0.811,475 0.733,476 0.758,477 0.703,478 0.927,479 1.304,480 0.993,481 1.201,482 0.868,483 1.13,484 1.047,485 1.116,486 1.223,487 1.058,488 1.315,489 1.156,490 0.822,491 1.052,492 0.914,493 0.895,494 0.942,495 0.909,496 0.871,497 1.046,498 0.958,499 0.972,500 1.259,501 0.976,502 0.778,503 1.104,504 0.883,505 1.084,506 1.368,507 1.035,508 0.88,509 0.809,510 0.925,511 0.887,512 1.069,513 0.903,514 5.5,515 0.092,516 3.111,517 2.278,518 1.147,519 0.883,520 0.557,521 0.479,522 0.317,523 0.13,524 10292,525 31151,526 2.208,527 35.7,529 10,530 4,532 1,536 1.698,537 2.104,538 3.439,539 -0.272,540 1,541 1,545 70.799,546 1.686,547 3.659,548 4.243,549 4.755,550 4.993,551 5.089,552 2.903,553 3.792,554 4.728,555 3.62,556 1270.45,557 8.191,558 16398,559 1,560 1,562 1,563 226.477,564 1.28,565 4.703,566 0.177,567 0.006,568 0.069,569 0.056,570 0.035,571 0.028,572 0.017,573 0.015,574 0.011,575 0.007,576 0.42,577 0.5,578 0.88,579 0.454,580 134.475,581 -0.099,582 -0.277,583 0.068,584 -0.166,585 -0.106,586 -0.033,587 0.024,588 0.272,589 0.048,590 0.214,591 -0.001,592 0.151,593 -0.111,594 -0.249,595 -0.158,596 -0.239,597 0.017,598 -0.218,599 -0.158,600 -0.09,601 -0.269,602 -0.11,603 -0.192,604 -0.198,605 -0.058,606 -0.03,607 0.082,608 0.064,609 -0.017,610 0.109,611 -0.017,612 0.003,613 -0.025,614 -0.026,615 -0.038,616 -0.026,617 0.175,618 -0.109,619 0.091,620 -0.123,621 0.022,622 -0.068,623 0.146,624 0.152,625 0.115,626 0.083,627 0.145,628 0.098,629 1.865,630 5.534,631 0.852,632 24.477,633 1.03,634 1.12,635 1.905,636 3.627,637 0.687,638 3.466,639 3.829,640 4.143,641 4.419,642 4.564,643 4.654,644 4.82,645 4.99,646 5.03,647 5.165,648 6.64,649 0.686,650 365.37,651 3.466,652 5.03,653 5.905,654 6.797,655 7.681,656 8.573,657 9.46,658 10.353,659 11.241,660 12.133,661 7.1,666 1,668 1,670 1,675 6,680 6,682 12,692 1,697 4,699 42,700 15,701 2,702 31,704 46,705 19,706 12,707 6,708 6,709 4,710 5,711 7,714 1,721 16,722 3,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 8,738 1,739 8,743 3,747 0.6,748 5,759 3,760 2,762 2,767 1,770 2,777 3,781 1,785 27,789 2,790 1,791 4,794 1,801 11.9,804 1,806 4,808 12.833,809 8.067,810 5.722,811 2.31,812 3.24,813 1.408,814 1.027,815 3.95,816 11.177,817 3.714,818 4.317,819 4.902,820 5.439,821 5.931,822 6.192,823 6.579,824 6.992,825 7.268,826 7.598,827 1,828 41,829 9.953,831 4.362,832 7.815,833 18.694,835 15.442,837 2.315,838 62.5,841 1,842 164.795,843 124.307,844 37.921,846 69.144,849 124.307,850 233.94,851 37.921,852 8.396,853 16.425,854 66.334,855 50.617,856 87.701,857 48.984,858 117.711,860 164.795,861 162.228,862 69.144,865 164.795,866 69.144,869 33.21,870 98.774,871 30.244,873 164.795,874 107.065,875 124.307,878 164.795,879 49.577,880 77.854,881 18.011,882 85.93,883 164.795,884 107.065,885 124.307,887 0.594,888 0.357,889 0.191,890 0.093,891 25,892 10,893 0.065,894 3,895 2,896 1.174,897 4.042,898 240.326,899 0.174,900 23,901 128.382,904 16.471,905 6.475,906 3.006,908 107.065,909 10.948,914 4.267,916 18.011,917 396.168,918 40,922 12.534,923 1.717,924 4.427,925 0.571,926 43.244,927 47.033,928 0.313,929 0.678,930 0.787,931 0.882,932 0.926,933 0.944,934 4.984,935 1.534,936 5.9,937 4.509,938 4.511,939 5.004,940 2.744,941 6.727,942 4.415,943 6.193,944 1.533,945 7.469,946 4.203,947 4.111,948 4.82,949 0.81,950 7.603,951 3.956,952 7.511,953 1.1,954 9.133,955 4.187,956 6.129,957 7.168,958 3.167,959 10.709,960 5.936,961 8.863,962 1.097,963 10.852,964 2.454,965 6.567,966 7.779,967 1.554,968 12.4,969 6.305,970 10.246,971 0.524,972 12.605,973 2.45,974 8.032,975 9.604,976 3.725,977 14.997,978 7.739,979 11.649,980 0.491,981 14.382,982 1.266,983 8.844,984 10.576,985 2.257,986 17.03,987 8.482,988 13.067,989 0.271,990 16.176,991 1.196,992 10.096,993 12.179,994 4.333,995 19.446,996 9.7,997 3.154,998 -0.057,999 17.983,1000 0.654,1001 11.076,1002 13.332,1003 2.951,1004 21.629,1005 10.615,1006 2.944,1007 10.433,1008 19.8,1009 -0.165,1010 12.243,1011 14.827,1012 4.966,1013 23.978,1014 11.743,1015 2.921,1016 9.271,1017 21.625,1018 3.993,1019 13.298,1020 16.076,1021 3.641,1022 26.23,1023 12.739,1024 2.405,1025 9.244,1026 23.457,1027 3.93,1028 14.433,1029 17.513,1030 5.612,1031 28.556,1032 13.831,1033 2.242,1034 7.459,1035 25.294,1036 3.765,1037 15.523,1038 18.815,1039 4.328,1040 30.841,1041 14.866,1042 1.847,1043 6.718,1044 27.136,1045 3.028,1046 16.647,1047 20.222,1048 6.265,1049 33.161,1050 15.944,1051 1.538,1052 5.745,1053 28.982,1054 2.852,1055 17.754,1056 21.553,1057 5.012,1058 35.465,1059 16.998,1060 9265,1061 16274,1062 21.383,1063 28.858,1064 47.775,1065 49.57,1066 47.786,1067 47.256,1068 47.204,1069 59.871,1070 13.449,1071 139.579,1072 45.007,1073 5.371,1074 5.815,1075 6.13,1076 5.18,1077 5.154,1078 6.993,1079 2.791,1080 17.517,1081 5.003,1082 9.06,1083 1.541,1084 1.599,1085 1.541,1086 1.524,1087 1.523,1088 1.931,1089 0.434,1090 4.503,1091 1.452,1092 4.018,1093 4.041,1094 3.981,1095 3.907,1096 7.428,1097 3.92,1098 3.938,1099 3.948,1100 3.897,1101 3.834,1102 5.031,1103 3.846,1104 3.786,1105 3.816,1106 3.756,1107 3.583,1108 4.996,1109 3.622,1110 3.361,1111 3.389,1112 3.277,1113 3.121,1114 4.744,1115 3.154,1116 3.302,1117 3.34,1118 3.198,1119 3.031,1120 4.397,1121 3.068,1122 3.092,1123 3.174,1124 2.912,1125 2.876,1126 4.285,1127 2.876,1128 2.972,1129 3.04,1130 2.855,1131 2.772,1132 3.992,1133 2.774,1134 2.849,1135 2.9,1136 2.707,1137 2.695,1138 3.975,1139 2.688,1140 0.144,1141 0.123,1142 0.213,1143 0.132,1144 0.102,1145 4.46,1146 0.129,1147 3.815,1148 0.045,1149 6.618,1150 0.337,1151 4.104,1152 0.097,1153 3.154,1154 3.993,1155 1.399,1156 10.433,1157 3.003,1158 1.892,1159 1.876,1160 1.976,1161 1.977,1162 1.098,1163 1.974,1164 1.856,1165 1.835,1166 1.943,1167 1.962,1168 1.055,1169 1.958,1170 1.468,1171 1.439,1172 1.677,1173 1.726,1174 0.741,1175 1.708,1176 1.403,1177 1.338,1178 1.505,1179 1.595,1180 0.586,1181 1.564,1182 1.161,1183 1.128,1184 1.439,1185 1.52,1186 0.579,1187 1.486,1188 1.155,1189 1.123,1190 1.432,1191 1.515,1192 0.559,1193 1.48,1194 0.969,1195 0.9,1196 1.203,1197 1.245,1198 0.246,1199 1.248,1200 0.794,1201 0.747,1202 1.082,1203 0.993,1204 0.154,1205 1.021,1206 4.143,1208 5.493,1209 3.434,1210 7.02,1211 5.778,1212 8.627,1213 7.832,1214 10.275,1216 1.668,1222 0.416,1223 3.142,1224 21.349,1227 1.462,1231 28.799,1232 70.799,1233 153.665,1234 178.213,1235 199.722,1236 209.722,1237 213.722,1238 34.304,1239 7.937,1240 83.84,1241 83.84,1242 27,1243 12.661,1244 4,1245 3.322,1246 35.895,1247 109,1248 88,1249 0.16,1250 170.075,1251 306.85,1252 406.744,1253 33668,1255 18.38,1256 0.681,1257 0.533,1258 18.38,1259 14.391,1260 13.17,1261 0.425,1262 0.268,1263 8.111,1264 12.386,1265 7.961,1266 6.553,1267 13.17,1268 8.32,1269 12.206,1270 0.271,1271 0.136,1272 12.206,1273 6.135,1274 10.991,1275 0.177,1276 0.071,1277 10.991,1278 4.397,1279 9.182,1280 0.112,1281 0.036,1282 9.182,1283 2.975,1284 6.929,1285 0.073,1286 0.02,1287 6.929,1288 1.857,1289 0.254,1290 84.668,1291 0.216,1292 26.11,1293 0.434,1294 152,1295 530.301,1296 175.516,1297 489.299,1298 675.32,1299 462,1300 183,1301 504.694,1302 207.574,1303 504.194,1304 748.45,1305 471,1306 6.398} {0 CHEMBL1803073,1 1.663,2 11.571,3 2.806,4 7.874,5 101.861,6 8.431,7 0.375,8 3.975,9 4.057,10 3.653,11 3.459,12 5.132,13 3.501,14 4.513,15 4.635,16 4.04,17 3.837,18 5.693,19 3.876,20 4.638,21 4.782,22 4.023,23 3.907,24 5.847,25 3.914,26 4.633,27 4.81,28 3.823,29 3.848,30 5.752,31 3.809,32 4.549,33 4.754,34 3.763,35 3.77,36 5.622,37 3.73,38 4.509,39 4.698,40 3.784,41 3.718,42 5.665,43 3.697,44 4.474,45 4.652,46 3.784,47 3.643,48 5.692,49 3.637,50 4.436,51 4.628,52 3.693,53 3.567,54 5.628,55 3.558,56 0.146,57 0.657,58 7.313,59 3.957,60 8.33,61 4.19,62 0.621,63 1.056,64 16.265,65 6.555,66 28.636,67 6.895,68 0.63,69 1.179,70 18.922,71 7.504,72 38.289,73 8.395,74 0.631,75 1.18,76 20.034,77 7.445,78 48.265,79 8.79,80 0.502,81 1.101,82 19.52,83 7.035,84 34.886,85 9.035,86 0.535,87 1.046,88 18.209,89 6.562,90 36.665,91 8.237,92 0.619,93 0.972,94 17.669,95 6.357,96 45.459,97 7.903,98 0.678,99 0.905,100 18.208,101 6.143,102 49.605,103 7.631,104 5,105 46,106 0.284,107 0.628,108 0.762,109 0.851,110 0.874,111 0.882,112 3.375,113 0.827,114 -2.96,115 -2.96,116 -2.86,119 44.4,123 1,124 2,125 1,130 1,132 1,133 6,134 1,135 5,147 1,148 1,159 5,161 3,162 5,164 2,166 2,168 5,171 2,172 10,176 1,178 3,182 12,185 2,187 1,194 8,197 1,199 1,205 3,206 4,211 2,213 2,216 5,217 1,222 1,224 3,228 3,229 1,232 1,237 5,241 1,242 2,245 1,250 4,255 1206,256 19.256,257 19.256,258 19.256,259 19.256,260 19.256,261 17.351,262 28.161,263 11.194,264 19.864,265 15.811,266 15.811,267 15.811,268 15.811,269 15.811,270 12.638,271 37.666,272 5.353,273 16.79,274 3.829,275 1.815,276 1.028,277 0.506,278 0.372,279 0.328,280 4.088,283 1,284 1,285 736,286 2.646,288 140.19,289 222.887,291 116.889,292 126.683,295 1.959,296 30.994,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 62.5,307 324,308 4.46,309 3.815,310 6.618,311 4.104,312 3.153,313 3.992,314 1.399,315 10.433,316 3.003,317 4.289,318 3.305,319 6.195,320 3.89,321 2.939,322 3.923,323 1.392,324 9.263,325 2.789,326 4.255,327 3.258,328 6.183,329 3.854,330 2.909,331 3.765,332 1.005,333 9.223,334 2.744,335 3.724,336 2.92,337 5.608,338 3.357,339 2.403,340 3.026,341 0.86,342 7.457,343 2.282,344 3.551,345 2.481,346 5.294,347 3.204,348 2.24,349 2.847,350 0.86,351 6.714,352 2.144,353 3.246,354 2.365,355 5.068,356 2.81,357 1.849,358 2.403,359 0.532,360 5.744,361 1.765,362 2.97,363 2.173,364 4.638,365 2.53,366 1.618,367 2.061,368 0.27,369 4.523,370 1.47,371 2.923,372 2.006,373 4.409,374 2.49,375 1.544,376 2.028,377 0.204,378 4.335,379 1.453,380 2.885,381 1.982,382 4.362,383 2.474,384 1.534,385 1.982,386 4.194,387 1.433,388 2.476,389 1.8,390 3.618,391 2.312,392 1.389,393 1.474,394 3,395 1.267,396 2.202,397 1.675,398 3.456,399 2.092,400 1.098,401 1.181,402 2.452,403 1.09,404 1.933,405 1.28,406 3.232,407 1.612,408 0.707,409 0.837,411 1.638,412 0.632,413 1.878,414 1.007,415 3.153,416 1.462,417 0.509,418 0.619,420 1.234,421 0.48,422 1.652,423 0.791,424 3.038,425 1.288,426 0.308,427 0.385,429 0.749,430 0.298,431 1.317,432 0.387,433 2.919,434 0.939,440 12.867,441 0.46,442 0.674,443 0.024,444 39,445 1.393,446 19,447 0.679,448 20,449 0.714,450 19.591,451 0.7,452 29.733,453 0.661,454 29.14,455 1.041,456 7.984,457 0.285,458 5.686,459 0.203,460 0.065,462 0.381,466 0.871,467 1.384,468 0.65,469 1.154,470 0.67,471 0.9,472 1.129,473 0.871,474 0.83,475 0.823,476 0.779,477 0.76,478 1.072,479 1.172,480 0.999,481 1.058,482 0.912,483 1.015,484 1.034,485 1.134,486 1.203,487 1.077,488 1.297,489 1.158,490 0.793,491 1.088,492 0.934,493 0.957,494 0.919,495 0.967,496 0.823,497 1.079,498 0.935,499 0.991,500 1.181,501 0.984,502 0.796,503 1.066,504 0.887,505 1.034,506 1.347,507 0.993,508 0.877,509 0.889,510 0.888,511 0.891,512 1.049,513 0.882,514 5.5,515 0.112,516 3.111,517 2.208,518 1.334,519 0.886,520 0.591,521 0.483,522 0.336,523 0.15,524 11318,525 32945,526 2.2,527 37.8,529 14,530 2,532 1,536 1.707,537 2.1,538 3.509,539 -0.288,540 1,541 1,545 74.843,546 1.663,547 3.677,548 4.464,549 4.986,550 5.12,551 5.164,552 2.985,553 4.593,554 4.78,555 3.678,556 1390.46,557 8.295,558 18473,560 1,562 1,563 247.133,564 1.264,565 4.757,566 0.172,567 0.006,568 0.068,569 0.05,570 0.038,571 0.026,572 0.017,573 0.015,574 0.011,575 0.007,576 0.41,577 0.5,578 0.88,579 0.444,580 141.412,581 -0.085,582 -0.267,583 0.071,584 -0.157,585 -0.087,586 -0.03,587 -0.042,588 0.195,589 0.047,590 0.135,591 -0.016,592 0.115,593 -0.087,594 -0.136,595 -0.1,596 -0.093,597 0.022,598 -0.098,599 -0.147,600 -0.097,601 -0.27,602 -0.123,603 -0.181,604 -0.21,605 -0.051,606 -0.06,607 0.025,608 0.009,609 -0.021,610 0.035,611 0.014,612 -0.039,613 0.019,614 -0.039,615 -0.004,616 -0.015,617 0.166,618 -0.054,619 0.09,620 -0.081,621 0.033,622 -0.034,623 0.152,624 0.092,625 0.136,626 0.065,627 0.154,628 0.097,629 1.863,630 5.579,631 0.857,632 26.296,633 1.025,634 1.121,635 1.726,636 2.979,637 0.68,638 3.497,639 3.85,640 4.159,641 4.431,642 4.625,643 4.682,644 4.844,645 5.017,646 5.118,647 5.193,648 6.869,649 0.674,650 379.4,651 3.497,652 5.056,653 5.927,654 6.815,655 7.696,656 8.585,657 9.469,658 10.359,659 11.245,660 12.136,661 6.7,666 1,668 1,670 1,675 6,680 6,682 12,692 1,697 4,699 45,700 15,701 2,702 32,704 49,705 20,706 12,707 6,708 6,709 4,710 5,711 7,714 1,721 16,722 4,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 17,737 8,738 1,739 8,743 3,747 0.6,748 5,759 2,760 3,762 1,763 1,767 1,770 2,777 3,781 1,785 28,789 3,790 1,791 4,794 1,801 11.1,804 1,806 4,808 13.333,809 8.567,810 5.972,811 2.56,812 3.252,813 1.404,814 1.019,815 4.372,816 11.297,817 3.738,818 4.331,819 4.909,820 5.443,821 5.953,822 6.202,823 6.588,824 7.001,825 7.324,826 7.608,827 0.875,828 44,829 10.339,831 4.513,832 7.786,833 19.511,835 16.108,837 2.286,838 64,841 1,842 188.338,843 126.842,844 37.921,846 69.144,849 126.842,850 257.482,851 37.921,852 8.396,853 18.959,854 66.334,855 50.617,856 87.701,857 25.441,858 164.795,860 188.338,861 164.762,862 69.144,865 188.338,866 69.144,869 35.745,870 98.774,871 30.244,873 188.338,874 107.065,875 126.842,878 188.338,879 52.112,880 77.854,881 18.011,882 85.93,883 188.338,884 107.065,885 126.842,887 0.591,888 0.354,889 0.19,890 0.098,891 25,892 10,893 0.061,894 3,895 2,896 1.167,897 4.121,898 251.374,899 0.167,900 24,901 134.606,904 17.401,905 7.036,906 3.329,908 107.065,909 11.01,914 4.295,916 18.011,917 422.244,918 41,922 12.579,923 1.722,924 4.445,925 0.577,926 46.127,927 50.448,928 0.303,929 0.669,930 0.813,931 0.908,932 0.932,933 0.94,934 5.004,935 1.544,936 5.916,937 4.523,938 4.533,939 5.017,940 2.644,941 6.737,942 4.422,943 6.208,944 1.534,945 7.48,946 4.335,947 4.111,948 4.82,949 0.81,950 7.603,951 3.956,952 7.521,953 1.389,954 9.141,955 4.194,956 6.142,957 7.173,958 2.905,959 10.711,960 5.93,961 8.869,962 1.098,963 10.857,964 3,965 6.553,966 7.773,967 1.554,968 12.394,969 6.288,970 10.248,971 0.707,972 12.608,973 2.452,974 8.035,975 9.603,976 3.351,977 14.995,978 7.724,979 11.648,980 0.509,981 14.383,982 1.638,983 8.827,984 10.569,985 2.257,986 17.023,987 8.459,988 13.064,989 0.308,990 16.176,991 1.234,992 10.09,993 12.175,994 3.897,995 19.442,996 9.678,997 3.153,999 17.981,1000 0.749,1001 11.059,1002 13.325,1003 2.951,1004 21.623,1005 10.589,1006 2.939,1007 10.433,1008 19.797,1010 12.231,1011 14.82,1012 4.499,1013 23.973,1014 11.717,1015 2.909,1016 9.263,1017 21.622,1018 3.992,1019 13.281,1020 16.067,1021 3.641,1022 26.224,1023 12.711,1024 2.403,1025 9.223,1026 23.453,1027 3.923,1028 14.419,1029 17.505,1030 5.13,1031 28.55,1032 13.803,1033 2.24,1034 7.457,1035 25.29,1036 3.765,1037 15.506,1038 18.805,1039 4.328,1040 30.835,1041 14.836,1042 1.849,1043 6.714,1044 27.132,1045 3.026,1046 16.631,1047 20.212,1048 5.776,1049 33.155,1050 15.914,1051 1.618,1052 5.744,1053 28.977,1054 2.847,1055 17.736,1056 21.542,1057 5.012,1058 35.459,1059 16.967,1060 10232,1061 17617,1062 22.076,1063 30.619,1064 49.082,1065 50.71,1066 49.331,1067 48.445,1068 48.403,1069 61.042,1070 13.043,1071 141.916,1072 45.699,1073 5.404,1074 5.815,1075 6.306,1076 5.244,1077 5.153,1078 6.992,1079 2.791,1080 17.517,1081 5.003,1082 9.305,1083 1.534,1084 1.585,1085 1.542,1086 1.514,1087 1.513,1088 1.908,1089 0.408,1090 4.435,1091 1.428,1092 4.018,1093 4.041,1094 3.98,1095 3.908,1096 7.428,1097 3.92,1098 3.935,1099 3.947,1100 3.891,1101 3.833,1102 5.019,1103 3.843,1104 3.787,1105 3.818,1106 3.755,1107 3.583,1108 4.957,1109 3.622,1110 3.461,1111 3.509,1112 3.339,1113 3.254,1114 4.736,1115 3.265,1116 3.336,1117 3.372,1118 3.233,1119 3.104,1120 4.391,1121 3.13,1122 3.092,1123 3.178,1124 2.94,1125 2.878,1126 4.283,1127 2.88,1128 3.023,1129 3.087,1130 2.89,1131 2.807,1132 4.211,1133 2.817,1134 2.871,1135 2.92,1136 2.756,1137 2.705,1138 3.987,1139 2.7,1140 0.139,1141 0.119,1142 0.207,1143 0.128,1144 0.099,1145 4.46,1146 0.125,1147 3.815,1148 0.044,1149 6.618,1150 0.326,1151 4.104,1152 0.094,1153 3.153,1154 3.992,1155 1.399,1156 10.433,1157 3.003,1158 1.896,1159 1.879,1160 1.985,1161 2.031,1162 1.108,1163 2.015,1164 1.886,1165 1.871,1166 1.974,1167 1.969,1168 1.098,1169 1.97,1170 1.476,1171 1.439,1172 1.702,1173 1.76,1174 0.922,1175 1.737,1176 1.45,1177 1.405,1178 1.662,1179 1.658,1180 0.74,1181 1.654,1182 1.36,1183 1.294,1184 1.502,1185 1.56,1186 0.586,1187 1.548,1188 1.156,1189 1.124,1190 1.433,1191 1.515,1192 0.559,1193 1.481,1194 0.965,1195 0.892,1196 1.21,1197 1.228,1198 0.252,1199 1.239,1200 0.841,1201 0.788,1202 1.092,1203 1.072,1204 0.157,1205 1.076,1206 4.174,1208 5.517,1209 3.045,1210 7.048,1211 5.416,1212 8.662,1213 7.496,1214 10.317,1216 1.673,1222 1.259,1223 3.163,1224 21.81,1227 1.468,1231 30.326,1232 74.843,1233 165.443,1234 200.869,1235 224.379,1236 230.379,1237 232.379,1238 37.727,1239 8.046,1240 83.84,1241 83.84,1242 28,1243 12.665,1244 4,1245 3.322,1246 37.806,1247 116,1248 104,1249 0.157,1250 179.668,1251 324.15,1252 430.15,1253 39007,1255 19.087,1256 0.682,1257 0.539,1258 19.087,1259 15.098,1260 13.67,1261 0.427,1262 0.276,1263 8.611,1264 12.875,1265 8.462,1266 6.94,1267 13.67,1268 8.82,1269 12.559,1270 0.273,1271 0.14,1272 12.559,1273 6.425,1274 11.241,1275 0.178,1276 0.072,1277 11.241,1278 4.566,1279 9.353,1280 0.113,1281 0.038,1282 9.353,1283 3.122,1284 7.467,1285 0.074,1286 0.02,1287 7.467,1288 2.047,1289 0.25,1290 87.668,1291 0.213,1292 26.958,1293 0.424,1294 156,1295 534.301,1296 179.296,1297 492.719,1298 680.76,1299 466,1300 187,1301 508.694,1302 211.685,1303 505.77,1304 751.01,1305 475,1306 6.658} {0 CHEMBL1803076,1 1.571,2 8.368,3 2.003,4 4.011,5 74.544,6 7.204,7 0.3,8 3.67,9 3.797,10 3.191,11 3.153,12 4.819,13 3.139,14 4.166,15 4.362,16 3.517,17 3.498,18 5.272,19 3.459,20 4.361,21 4.579,22 3.558,23 3.551,24 5.554,25 3.504,26 4.381,27 4.616,28 3.355,29 3.467,30 5.514,31 3.4,32 4.223,33 4.445,34 3.366,35 3.405,36 5.359,37 3.348,38 4.256,39 4.479,40 3.355,41 3.37,42 5.541,43 3.319,44 4.16,45 4.383,46 3.029,47 3.264,48 5.308,49 3.151,50 4.075,51 4.345,52 2.552,53 3.061,54 5.038,55 2.883,56 0.041,57 0.53,58 7.701,59 3.031,60 8.258,61 4.194,62 0.215,63 0.805,64 13.856,65 4.901,66 15.179,67 6.988,68 0.198,69 0.88,70 17.583,71 5.62,72 32.624,73 8.295,74 0.387,75 0.848,76 18.884,77 4.975,78 50.321,79 7.491,80 0.211,81 0.761,82 15.43,83 4.814,84 30.745,85 7.133,86 0.373,87 0.747,88 16.44,89 4.627,90 55.812,91 6.862,92 0.244,93 0.656,94 14.765,95 4.769,96 37.418,97 6.804,98 0.266,99 0.538,100 14.408,101 4.472,102 43.793,103 6.436,104 20,105 27,106 0.29,107 0.682,108 0.832,109 0.873,110 0.884,111 0.884,112 3.01,113 0.935,114 -3.35,115 -3.33,116 -3.19,119 38.9,120 1,121 1,123 1,124 1,130 1,132 1,133 4,134 1,135 1,147 1,148 1,159 6,161 2,162 1,164 2,166 3,168 5,171 1,172 3,176 4,178 4,182 5,185 1,187 2,190 1,194 6,197 1,199 1,206 6,209 2,211 1,213 1,217 3,221 1,222 2,224 2,234 1,237 2,247 1,250 3,255 439,256 12.698,257 12.698,258 12.698,259 12.698,260 12.698,261 11.437,262 14.141,263 7.664,264 12.934,265 9.795,266 9.795,267 9.795,268 9.795,269 9.795,270 7.806,271 14.699,272 3.576,273 10.187,274 3.598,275 1.467,276 0.653,277 0.431,278 0.375,279 0.375,280 3.663,283 1,284 1,285 325,286 2.646,288 54.16,289 65.273,295 1.44,296 21.214,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 41.5,307 159,308 4.455,309 3.813,310 6.615,311 4.098,312 3.145,313 3.95,314 1.399,315 10.411,316 3.003,317 4.142,318 2.929,319 6.039,320 3.747,321 2.776,322 3.652,323 1.005,324 8.622,325 2.691,326 3.476,327 2.873,328 5.441,329 3.074,330 2.121,331 2.649,332 0.27,333 6.603,334 2.007,335 3.115,336 2.139,337 4.745,338 2.671,339 1.716,340 2.214,341 0.204,342 4.791,343 1.634,344 2.864,345 1.715,346 4.145,347 2.396,348 1.414,349 2.016,351 3.626,352 1.385,353 2.739,354 1.586,355 3.601,356 2.367,357 1.388,358 1.791,360 2.965,361 1.352,362 2.472,363 1.442,364 3.502,365 2.301,366 1.332,367 1.45,369 2.608,370 1.284,371 1.873,372 1.18,373 3.046,374 1.431,375 0.436,376 0.525,378 0.89,379 0.428,380 1.439,381 0.501,382 2.639,383 1.19,384 0.235,385 0.282,386 0.471,387 0.224,388 1.191,389 0.271,390 2.28,391 0.827,392 -0.142,393 -0.173,394 -0.277,395 -0.135,396 0.74,397 -0.297,398 2,399 0.381,400 -0.564,401 -0.683,402 -1.281,403 -0.527,404 0.531,405 -0.459,406 2,407 0.137,408 -0.844,409 -1.077,411 -1.888,412 -0.825,413 0.22,414 -0.759,415 1.701,416 -0.138,417 -1.144,418 -1.313,420 -2.587,421 -1.108,422 -0.1,423 -1.001,424 1.307,425 -0.258,426 -1.235,427 -1.637,429 -3.128,430 -1.232,431 -0.121,432 -1.204,433 1.259,434 -0.483,435 -1.414,436 -1.708,438 -3.459,439 -1.325,440 8.867,441 0.467,442 0.456,443 0.024,444 23.25,445 1.224,446 11,447 0.579,448 12.25,449 0.645,450 13.376,451 0.704,452 21.133,453 0.587,454 16.37,455 0.862,456 4.758,457 0.25,458 4.372,459 0.23,460 0.188,462 0.327,466 0.87,467 1.471,468 0.845,469 1.156,470 0.756,471 1.017,472 0.62,473 0.961,474 0.795,475 0.953,476 0.56,477 0.904,478 0.915,479 1.221,480 0.833,481 1.075,482 0.816,483 0.954,484 1.511,485 0.908,486 1.211,487 0.843,488 1.435,489 0.94,490 0.99,491 1.144,492 0.932,493 1.032,494 0.957,495 0.974,496 1.184,497 0.962,498 1.027,499 0.914,500 1.197,501 0.925,502 1.224,503 1.132,504 1.259,505 1.229,506 1.406,507 1.256,508 1.378,509 0.808,510 1.254,511 0.952,512 1.523,513 1.079,514 3.5,515 0.021,516 2.444,517 1.764,518 0.912,519 0.636,520 0.488,521 0.138,522 0.078,523 0.046,524 2971,525 8001,526 1.965,527 47.2,528 3,529 10,532 2,534 2,536 1.604,537 1.81,538 3.053,539 0.393,541 1,543 1,545 56.573,546 1.571,547 3.702,548 4.517,549 4.739,550 4.795,551 4.795,552 2.55,553 3.932,554 4.215,555 3.169,556 541.853,557 7.189,558 5334.45,559 1,560 1,562 1,563 186.117,564 1.509,565 4.159,566 0.175,567 0.005,568 0.091,569 0.065,570 0.043,571 0.029,572 0.023,573 0.01,574 0.01,575 0.008,576 0.459,577 0.5,578 1,579 1.368,580 82.377,581 -0.092,582 -0.229,583 0.019,584 -0.052,585 -0.103,586 -0.009,587 0.176,588 0.193,589 0.122,590 0.058,591 0.062,592 0.072,593 0.046,594 -0.19,595 0.126,596 -0.092,597 0.117,598 0.016,599 -0.247,600 0.112,601 -0.197,602 0.054,603 -0.198,604 -0.039,605 -0.008,606 -0.111,607 0.031,608 -0.061,609 0.006,610 -0.014,611 0.063,612 0.052,613 -0.021,614 0.012,615 0.133,616 -0.004,617 -0.11,618 -0.167,619 -0.285,620 -0.253,621 -0.11,622 -0.296,623 -0.246,624 0.031,625 -0.245,627 -0.274,628 -0.109,629 1.846,630 5.016,631 0.579,632 13.911,633 1.004,634 1.134,635 2.118,636 4.487,637 0.646,638 3.045,639 3.332,640 3.584,641 3.761,642 3.892,643 3.85,644 3.871,645 3.871,646 3.738,647 3.584,648 4.967,649 0.616,650 259.34,651 3.045,652 4.554,653 5.389,654 6.248,655 7.109,656 7.978,657 8.849,658 9.723,659 10.598,660 11.474,661 8.3,663 1,668 1,670 1,675 4,680 2,682 6,696 1,699 36,700 9,701 1,702 20,704 37,705 14,706 6,707 2,708 4,709 4,710 2,711 2,714 1,715 1,719 1,721 10,722 4,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 17,737 5,738 2,739 5,743 3,747 1,748 2,759 1,760 1,767 1,770 2,773 1,777 2,781 2,785 19,788 1,789 2,790 1,794 1,801 5.6,803 1,804 1,808 10.5,809 6.933,810 4.361,811 2.221,812 2.11,813 1.343,814 0.923,815 4.223,816 8.254,817 3.296,818 3.818,819 4.353,820 4.819,821 5.275,822 5.432,823 5.727,824 6.055,825 6.277,826 6.359,827 0.833,828 27,829 7.012,831 2.892,832 7.912,833 13.159,835 10.24,837 2.412,838 45.833,839 0.001,842 176.567,843 81.789,844 37.921,846 67.828,849 81.789,850 244.395,851 37.921,852 17.222,853 7.765,854 65.392,855 75.29,856 19.971,857 1.899,858 176.567,860 176.567,861 119.71,862 67.828,865 153.024,866 91.37,869 51.386,870 56.091,871 12.233,873 176.567,874 105.749,875 81.789,878 176.567,879 17.186,880 67.727,881 18.011,882 84.614,883 176.567,884 105.749,885 81.789,887 0.57,888 0.339,889 0.172,890 0.094,891 12,892 6,893 0.108,894 4,896 1,897 3.095,898 131.813,900 11,901 80.711,904 13.622,905 5.89,906 2.961,908 105.749,909 6.852,914 0.718,916 60.694,917 364.105,918 26,922 12.016,923 1.592,924 4.256,925 0.693,926 36.145,927 40.82,928 0.304,929 0.716,930 0.874,931 0.917,932 0.927,933 0.927,934 4.516,935 0.436,936 5.371,937 2.608,938 4.007,939 4.5,940 1.899,941 6.172,942 3.93,943 5.711,944 0.235,945 6.934,946 0.89,947 3.611,948 4.248,949 0.81,950 7.071,951 3.479,952 7.012,953 -0.142,954 8.604,955 0.471,956 5.587,957 6.61,958 2.131,959 10.178,960 5.428,961 8.354,962 -0.564,963 10.334,964 -0.277,965 6.043,966 7.172,967 1.554,968 11.904,969 5.824,970 9.729,971 -0.844,972 12.102,973 -1.281,974 7.493,975 9.014,976 2.512,977 14.519,978 7.248,979 11.129,980 -1.144,981 13.894,982 -1.888,983 8.33,984 9.955,985 2.257,986 16.582,987 8.027,988 12.547,989 -1.235,990 15.704,991 -2.587,992 9.578,993 11.566,994 2.993,995 19.022,996 9.245,997 3.145,998 -1.414,999 17.527,1000 -3.128,1001 10.581,1002 12.698,1003 2.951,1004 21.231,1005 10.192,1006 2.776,1007 10.411,1008 19.36,1009 -3.459,1010 11.752,1011 14.193,1012 3.544,1013 23.604,1014 11.327,1015 2.121,1016 8.622,1017 21.2,1018 3.95,1019 12.826,1020 15.424,1021 3.641,1022 25.88,1023 12.349,1024 1.716,1025 6.603,1026 23.047,1027 3.652,1028 13.969,1029 16.858,1030 4.142,1031 28.228,1032 13.451,1033 1.414,1034 4.791,1035 24.899,1036 2.649,1037 15.075,1038 18.144,1039 4.328,1040 30.536,1041 14.506,1042 1.388,1043 3.626,1044 26.756,1045 2.214,1046 16.209,1047 19.545,1048 4.769,1049 32.876,1050 15.597,1051 1.332,1052 2.965,1053 28.616,1054 2.016,1055 17.33,1056 20.862,1057 5.012,1058 35.199,1059 16.668,1060 3088,1061 5183,1062 12.83,1063 23.256,1064 29.75,1065 30.452,1066 31.069,1067 29.179,1068 29.125,1069 37.059,1070 5.757,1071 81.977,1072 28.017,1073 5.361,1074 5.813,1075 6.476,1076 5.108,1077 5.145,1078 6.95,1079 2.522,1080 17.462,1081 5.003,1082 10.367,1083 1.488,1084 1.523,1085 1.553,1086 1.459,1087 1.456,1088 1.853,1089 0.288,1090 4.099,1091 1.401,1092 3.974,1093 4.005,1094 3.933,1095 3.883,1096 7.428,1097 3.888,1098 3.793,1099 3.84,1100 3.739,1101 3.607,1102 6.469,1103 3.637,1104 3.585,1105 3.658,1106 3.413,1107 3.422,1108 4.78,1109 3.409,1110 3.184,1111 3.262,1112 3.035,1113 3.023,1114 4.601,1115 3.017,1116 3.068,1117 3.179,1118 2.882,1119 2.789,1120 4.17,1121 2.788,1122 2.942,1123 2.975,1124 2.818,1125 2.746,1126 3.939,1127 2.751,1128 2.838,1129 2.901,1130 2.669,1131 2.645,1132 3.795,1133 2.642,1134 2.639,1135 2.698,1136 2.477,1137 2.346,1138 3.589,1139 2.365,1140 0.223,1141 0.191,1142 0.331,1143 0.205,1144 0.157,1145 4.455,1146 0.198,1147 3.813,1148 0.07,1149 6.615,1150 0.521,1151 4.098,1152 0.15,1153 3.145,1154 3.95,1155 1.399,1156 10.411,1157 3.003,1158 1.908,1159 1.888,1160 2.008,1161 1.992,1162 1.16,1163 1.997,1164 1.654,1165 1.576,1166 1.926,1167 1.883,1168 1.092,1169 1.895,1170 1.476,1171 1.446,1172 1.682,1173 1.711,1174 0.746,1175 1.704,1176 1.391,1177 1.312,1178 1.549,1179 1.596,1180 0.601,1181 1.585,1182 1.029,1183 0.921,1184 1.407,1185 1.323,1186 0.513,1187 1.36,1188 0.883,1189 0.84,1190 1.143,1191 1.149,1192 0.167,1193 1.132,1194 0.79,1195 0.75,1196 1.024,1197 1.034,1198 0.082,1199 1.036,1200 0.705,1201 0.607,1202 0.974,1203 0.999,1205 1.015,1206 3.714,1208 5.004,1209 2.398,1210 6.491,1211 4.844,1212 8.065,1213 6.986,1214 9.684,1216 3.721,1221 9.697,1222 1.722,1223 3.094,1227 1.474,1231 22.181,1232 56.573,1233 133.288,1234 162.608,1235 170.608,1236 172.608,1237 172.608,1238 35.096,1239 6.144,1240 67.15,1241 67.15,1242 11,1243 12.013,1244 3.322,1245 2.807,1246 33.609,1247 55,1248 64,1249 0.306,1250 141.087,1251 249.88,1252 336.013,1253 2976,1255 13.828,1256 0.728,1257 0.582,1258 13.828,1259 11.051,1260 9.13,1261 0.457,1262 0.312,1263 6.141,1264 8.773,1265 5.948,1266 5.031,1267 9.13,1268 6.235,1269 7.874,1270 0.292,1271 0.16,1272 7.874,1273 4.315,1274 6.745,1275 0.193,1276 0.081,1277 6.745,1278 2.83,1279 4.967,1280 0.118,1281 0.042,1282 4.967,1283 1.751,1284 3.815,1285 0.079,1286 0.023,1287 3.815,1288 1.103,1289 0.468,1290 57.42,1291 0.279,1292 18.979,1293 0.87,1294 94,1295 291.508,1296 104.674,1297 282.241,1298 381.7,1299 262,1300 109,1301 280.343,1302 120.396,1303 283.779,1304 414.16,1305 266,1306 5} {0 CHEMBL1803078,1 1.642,2 9,3 3.019,4 9.112,5 80.473,6 9.207,7 0.3,8 3.633,9 3.76,10 3.385,11 3.199,12 4.722,13 3.155,14 4.147,15 4.342,16 3.79,17 3.562,18 5.204,19 3.487,20 4.328,21 4.546,22 3.814,23 3.626,24 5.443,25 3.522,26 4.317,27 4.558,28 3.504,29 3.494,30 5.373,31 3.382,32 4.139,33 4.36,34 3.482,35 3.406,36 5.213,37 3.326,38 4.2,39 4.426,40 3.441,41 3.402,42 5.301,43 3.306,44 4.102,45 4.324,46 3.463,47 3.312,48 5.166,49 3.166,50 4.021,51 4.3,52 3.525,53 3.151,54 4.945,55 2.946,56 0.013,57 0.511,58 5.421,59 3.052,60 4.081,61 4.027,62 0.206,63 0.798,64 13.268,65 5.245,66 13.057,67 6.959,68 0.175,69 0.875,70 25.031,71 6.794,72 26.756,73 8.705,74 0.328,75 0.842,76 25.067,77 5.874,78 38.017,79 7.565,80 0.126,81 0.737,82 13.428,83 4.924,84 21.149,85 6.627,86 0.222,87 0.74,88 18.916,89 5.294,90 32.149,91 6.732,92 0.175,93 0.647,94 15.636,95 5.189,96 27.847,97 6.74,98 0.229,99 0.541,100 21.536,101 5.42,102 31.034,103 7.043,104 20,105 27,106 0.304,107 0.671,108 0.816,109 0.837,110 0.837,111 0.837,112 3.009,113 1.048,114 -4.52,115 -4.44,116 -4.18,117 1,119 40,120 1,121 1,123 1,124 1,130 1,132 1,133 4,134 1,135 1,147 1,148 1,159 6,161 2,162 1,164 2,166 1,168 8,171 1,172 3,176 1,178 6,182 6,185 1,187 1,190 1,194 8,199 1,202 1,206 5,211 2,213 1,217 2,222 2,224 2,229 2,237 3,247 1,250 4,255 449,256 12.646,257 12.646,258 12.646,259 12.646,260 12.646,261 11.412,262 13.629,263 7.608,264 13.013,265 9.8,266 9.8,267 9.8,268 9.8,269 9.8,270 7.823,271 14.212,272 3.581,273 10.454,274 3.487,275 1.509,276 0.729,277 0.615,278 0.615,279 0.615,280 3.663,283 1,284 1,285 349,286 2.646,288 55.913,289 65.273,295 1.368,296 15.46,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 40.25,307 171,308 4.442,309 3.813,310 6.612,311 4.09,312 3.139,313 3.883,314 1.399,315 10.394,316 2.991,317 4.013,318 2.906,319 5.594,320 3.575,321 2.614,322 3.568,323 1.005,324 7.482,325 2.511,326 3.567,327 2.874,328 5.293,329 3.119,330 2.208,331 2.836,332 0.27,333 6.437,334 1.998,335 3.323,336 2.441,337 4.903,338 2.896,339 1.963,340 2.495,341 0.204,342 5.6,343 1.723,344 2.955,345 1.952,346 4.655,347 2.539,348 1.607,349 1.976,351 4.578,352 1.47,353 2.5,354 1.714,355 3.505,356 2.323,357 1.347,358 1.5,360 2.608,361 1.306,362 2.473,363 1.221,364 3.414,365 2,366 1,367 1.45,369 2.275,370 1,371 1.876,372 1,373 3.073,374 1.431,375 0.441,376 0.532,378 0.917,379 0.426,380 1.439,381 0.575,382 2.64,383 1.17,384 0.242,385 0.285,386 0.482,387 0.207,388 1.202,389 0.41,390 2.28,391 0.784,392 -0.14,393 -0.171,394 -0.274,395 -0.105,396 0.662,397 -0.241,398 2,399 0.294,400 -0.589,401 -0.701,402 -1.349,403 -0.443,404 0.5,405 -0.451,406 2,408 -1,409 -1.131,411 -2.201,412 -0.846,413 0.25,414 -0.784,415 1.702,416 -0.055,417 -1,418 -1.403,420 -2.894,421 -1,422 -0.034,423 -1,424 1.316,425 -0.258,426 -1.223,427 -1.5,429 -3,430 -1.129,431 -0.128,432 -1.064,433 1.262,434 -0.552,435 -1.365,436 -1.637,438 -3.307,439 -1.252,440 9.867,441 0.519,442 0.473,443 0.025,444 22.5,445 1.184,446 10.5,447 0.553,448 12,449 0.632,450 15.434,451 0.812,452 20.133,453 0.575,454 14.005,455 0.737,456 4.304,457 0.227,458 4.81,459 0.253,460 0.27,462 0.294,466 0.731,467 1.441,468 0.498,469 0.894,470 0.591,471 0.929,472 0.631,473 0.878,474 0.559,475 0.713,476 0.553,477 0.802,478 0.922,479 1.169,480 0.943,481 1.001,482 0.799,483 0.955,484 1.547,485 0.876,486 0.854,487 0.814,488 1.51,489 0.919,490 1.133,491 1.135,492 0.387,493 0.779,494 1.076,495 0.893,496 1.659,497 0.95,498 0.671,499 0.807,500 1.765,501 0.921,502 1.297,503 1.144,504 0.644,505 1.012,506 1.644,507 1.154,508 0.789,509 0.813,510 0.806,511 0.912,512 1.162,513 0.92,514 4,515 0.037,516 2.222,517 1.639,518 0.912,519 0.636,520 0.43,521 0.168,522 0.134,523 0.046,524 3075,525 9247,526 1.965,527 45.7,528 3,529 10,532 1,534 2,536 1.602,537 1.81,538 3.151,539 -0.249,541 1,543 1,545 57.467,546 1.642,547 3.62,548 4.4,549 4.515,550 4.515,551 4.515,552 2.695,553 3.787,554 4.213,555 3.251,556 555.859,557 7.175,558 5496.25,559 1,560 1,561 1,562 1,563 179.525,564 1.509,565 4.159,566 0.2,567 0.009,568 0.082,569 0.063,570 0.046,571 0.03,572 0.023,573 0.012,574 0.013,575 0.007,576 0.485,577 0.33,578 1,579 1.368,580 82.957,581 -0.038,582 -0.249,583 0.002,584 -0.061,585 -0.059,586 -0.027,587 0.233,588 0.246,589 0.051,590 0.13,591 0.091,592 0.105,593 0.057,594 -0.156,595 -0.026,596 -0.056,597 0.147,598 -0.003,599 -0.248,600 0.157,601 -0.09,602 0.043,603 -0.191,604 -0.03,605 -0.11,606 -0.091,607 0.024,608 -0.002,609 -0.005,611 -0.302,612 0.062,613 -0.051,614 0.024,615 -0.176,616 -0.033,617 -0.132,618 -0.195,619 0.015,620 -0.136,621 -0.18,622 -0.22,623 0.172,624 0.016,625 0.159,626 0.083,627 -0.018,628 0.102,629 1.749,630 5.044,631 0.579,632 14.731,633 1.001,634 1.127,635 3.288,636 10.808,637 0.69,638 3.045,639 3.332,640 3.555,641 3.738,642 3.892,643 3.829,644 3.85,645 3.871,646 3.807,647 3.714,648 5.17,649 0.643,650 322.23,651 3.045,652 4.554,653 5.38,654 6.236,655 7.089,656 7.955,657 8.818,658 9.688,659 10.558,660 11.431,661 8.6,663 1,668 1,670 1,675 4,680 2,682 6,698 1,699 35,700 9,701 1,702 20,703 1,704 36,705 14,706 6,707 2,708 4,709 4,710 2,711 2,714 1,715 1,719 1,721 10,722 4,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 16,737 4,738 1,739 5,740 1,743 3,747 1,748 1,759 1,760 1,767 1,770 2,773 1,777 2,780 1,781 2,785 19,789 2,790 1,794 1,800 1,801 2.9,804 1,808 10.5,809 6.876,810 4.333,811 2.2,812 2.067,813 1.336,814 0.959,815 4.642,816 8.211,817 3.296,818 3.818,819 4.334,820 4.795,821 5.278,822 5.426,823 5.731,824 6.113,825 6.331,826 6.421,827 1,828 26,829 7.001,831 2.837,832 7.741,833 13.354,835 10.386,837 2.241,838 42.583,839 0.001,842 176.567,843 84.844,844 83.875,846 25.145,849 130.798,850 201.711,851 37.921,852 17.222,853 7.765,854 65.392,855 32.606,856 23.026,857 1.899,858 176.567,859 45.954,860 176.567,861 122.765,862 25.145,864 45.954,865 153.024,866 48.687,869 51.386,870 59.146,871 12.233,872 45.954,873 176.567,874 63.066,875 130.798,878 176.567,879 20.241,880 67.727,881 63.965,882 41.93,883 176.567,884 63.066,885 130.798,887 0.571,888 0.33,889 0.165,890 0.096,891 12,892 6,893 0.111,894 4,896 1,897 3.127,898 130.352,900 11,901 76.711,904 14.13,905 6.242,906 3.381,908 63.066,909 7.764,914 1.971,916 18.011,917 370.43,918 26,922 12.044,923 1.798,924 4.337,925 1,926 35.047,927 39.452,928 0.32,929 0.706,930 0.858,931 0.88,932 0.88,933 0.88,934 4.516,935 0.441,936 5.361,937 2.275,938 4.007,939 4.5,940 1.899,941 6.142,942 3.89,943 5.711,944 0.242,945 6.911,946 0.917,947 3.611,948 4.248,949 0.81,950 6.991,951 3.382,952 7.009,953 -0.14,954 8.561,955 0.482,956 5.572,957 6.597,958 2.131,959 10.079,960 5.357,961 8.343,962 -0.589,963 10.269,964 -0.274,965 5.994,966 7.119,967 1.554,968 11.766,969 5.692,970 9.709,971 -1,972 12.015,973 -1.349,974 7.441,975 8.962,976 2.512,977 14.382,978 7.138,979 11.097,980 -1,981 13.787,982 -2.201,983 8.245,984 9.846,985 2.257,986 16.436,987 7.873,988 12.502,989 -1.223,990 15.579,991 -2.894,992 9.493,993 11.463,994 2.993,995 18.884,996 9.103,997 3.139,998 -1.365,999 17.388,1000 -3,1001 10.477,1002 12.54,1003 2.951,1004 21.1,1005 10.026,1006 2.614,1007 10.394,1008 19.21,1009 -3.307,1010 11.648,1011 14.037,1012 3.544,1013 23.483,1014 11.167,1015 2.208,1016 7.482,1017 21.044,1018 3.883,1019 12.714,1020 15.223,1021 3.641,1022 25.77,1023 12.178,1024 1.963,1025 6.437,1026 22.887,1027 3.568,1028 13.859,1029 16.654,1030 4.142,1031 28.128,1032 13.285,1033 1.607,1034 5.6,1035 24.738,1036 2.836,1037 14.964,1038 17.904,1039 4.328,1040 30.445,1041 14.336,1042 1.347,1043 4.578,1044 26.595,1045 2.495,1046 16.101,1047 19.298,1048 4.769,1049 32.793,1050 15.43,1051 1,1052 2.608,1053 28.458,1054 1.976,1055 17.223,1056 20.585,1057 5.012,1058 35.123,1059 16.502,1060 3187,1061 5648,1062 12.83,1063 24.154,1064 29.775,1065 30.627,1066 30.899,1067 29.37,1068 29.122,1069 37.049,1070 5.757,1071 81.548,1072 27.264,1073 5.348,1074 5.813,1075 6.472,1076 5.103,1077 5.139,1078 6.883,1079 2.522,1080 17.424,1081 4.991,1082 10.571,1083 1.489,1084 1.531,1085 1.545,1086 1.468,1087 1.456,1088 1.852,1089 0.288,1090 4.077,1091 1.363,1092 3.971,1093 4.004,1094 6.88,1095 3.909,1096 7.428,1097 3.898,1098 3.792,1099 3.838,1100 3.903,1101 3.622,1102 4.824,1103 3.645,1104 3.585,1105 3.658,1106 3.67,1107 3.426,1108 4.668,1109 3.41,1110 3.188,1111 3.26,1112 3.408,1113 3.071,1114 4.172,1115 3.044,1116 3.068,1117 3.178,1118 2.982,1119 2.791,1120 3.961,1121 2.788,1122 2.854,1123 2.925,1124 2.879,1125 2.735,1126 3.805,1127 2.715,1128 2.846,1129 2.89,1130 2.687,1131 2.722,1132 3.674,1133 2.682,1134 2.639,1135 2.697,1136 2.598,1137 2.352,1138 3.619,1139 2.365,1140 0.222,1141 0.191,1142 0.331,1143 0.205,1144 0.157,1145 4.442,1146 0.194,1147 3.813,1148 0.07,1149 6.612,1150 0.52,1151 4.09,1152 0.15,1153 3.139,1154 3.883,1155 1.399,1156 10.394,1157 2.991,1158 1.913,1159 1.893,1160 1.99,1161 1.973,1162 1.16,1163 1.989,1164 1.654,1165 1.576,1166 1.926,1167 1.883,1168 1.11,1169 1.895,1170 1.474,1171 1.448,1172 1.68,1173 1.709,1174 0.746,1175 1.703,1176 1.39,1177 1.313,1178 1.52,1179 1.585,1180 0.597,1181 1.574,1182 1.028,1183 0.922,1184 1.399,1185 1.319,1186 0.511,1187 1.356,1188 0.886,1189 0.821,1190 1.181,1191 1.062,1192 0.218,1193 1.107,1194 0.777,1195 0.753,1196 1.019,1197 1.028,1198 0.083,1199 1.036,1200 0.705,1201 0.607,1202 0.875,1203 0.936,1205 0.945,1206 3.714,1208 5.004,1209 2.398,1210 6.482,1211 4.844,1212 8.042,1213 6.986,1214 9.647,1215 3.384,1216 3.801,1222 1.8,1223 3.143,1227 1.542,1231 22.492,1232 57.467,1233 126.696,1234 154.015,1235 158.015,1236 158.015,1237 158.015,1238 29.895,1239 6.144,1240 46.92,1241 46.92,1242 11,1243 11.973,1244 3.322,1245 2.807,1246 33.707,1247 57,1248 64,1249 0.294,1250 149.005,1251 260.37,1252 355.332,1253 2976,1254 2.9,1255 13.828,1256 0.728,1257 0.661,1258 14.828,1259 12.568,1260 9.113,1261 0.456,1262 0.349,1263 6.164,1264 8.251,1265 5.907,1266 4.984,1267 9.691,1268 6.987,1269 7.978,1270 0.295,1271 0.193,1272 8.794,1273 5.223,1274 6.622,1275 0.195,1276 0.097,1277 7.199,1278 3.303,1279 4.828,1280 0.118,1281 0.048,1282 5.161,1283 1.975,1284 3.883,1285 0.081,1286 0.029,1287 4.355,1288 1.41,1289 0.455,1290 65.114,1291 0.279,1292 19.129,1293 0.821,1294 94,1295 278.013,1296 168.441,1297 308.165,1298 408.82,1299 286,1300 108,1301 274.046,1302 145.667,1303 291.368,1304 424.44,1305 273,1306 5} {0 CHEMBL1803079,1 1.66,2 9.25,3 1.832,4 3.358,5 73.72,6 7.809,7 0.273,8 3.69,9 3.798,10 3.294,11 3.155,12 4.819,13 3.176,14 4.218,15 4.373,16 3.643,17 3.511,18 5.387,19 3.511,20 4.333,21 4.544,22 3.522,23 3.514,24 5.45,25 3.476,26 4.261,27 4.483,28 3.369,29 3.42,30 5.309,31 3.365,32 4.17,33 4.392,34 3.315,35 3.325,36 5.262,37 3.284,38 4.086,39 4.28,40 3.256,41 3.214,42 5.29,43 3.197,44 3.984,45 4.182,46 3.182,47 3.067,48 5.229,49 3.045,50 3.819,51 4.006,52 2.949,53 2.92,54 5.034,55 2.875,56 0.082,57 0.522,58 6.781,59 2.962,60 6.219,61 3.678,62 0.418,63 0.799,64 13.7,65 5.015,66 24.843,67 6.346,68 0.345,69 0.845,70 16.639,71 5.399,72 33.407,73 7.523,74 0.357,75 0.778,76 15.82,77 4.93,78 30.097,79 6.956,80 0.282,81 0.715,82 14.37,83 4.419,84 26.893,85 6.277,86 0.348,87 0.643,88 12.956,89 3.694,90 35.354,91 4.957,92 0.393,93 0.545,94 12.064,95 3.66,96 36.226,97 5.016,98 0.377,99 0.455,100 10.132,101 3.158,102 34.741,103 4.204,104 8,105 30,106 0.306,107 0.696,108 0.843,109 0.878,110 0.889,111 0.889,112 3.057,113 0.888,114 -3.25,115 -3.24,116 -3.11,119 40,120 1,121 1,124 1,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 5,161 1,162 3,164 3,165 1,166 1,168 4,171 1,172 6,176 2,178 2,182 7,185 1,187 3,194 5,199 4,205 1,206 2,211 3,213 1,216 2,217 1,220 1,222 1,224 2,228 1,232 2,237 3,245 1,250 3,255 480,256 13.748,257 13.748,258 13.748,259 13.748,260 13.748,261 12.517,262 17.583,263 8.325,264 14.051,265 10.864,266 10.864,267 10.864,268 10.864,269 10.864,270 8.803,271 20.265,272 3.952,273 11.358,274 3.469,275 1.351,276 0.557,277 0.364,278 0.307,279 0.307,280 3.738,283 1,284 1,285 400,286 2.646,288 100.666,289 50.065,291 80.062,295 1.575,296 20.728,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 44.5,307 185,308 4.367,309 3.665,310 6.218,311 3.963,312 2.996,313 3.975,314 1.392,315 9.358,316 2.897,317 4.231,318 3.305,319 6.143,320 3.84,321 2.889,322 3.682,323 1.305,324 9.083,325 2.742,326 3.633,327 2.833,328 5.29,329 3.258,330 2.295,331 2.928,332 0.964,333 6.809,334 2.204,335 3.363,336 2.451,337 5.035,338 2.971,339 2.009,340 2.52,341 0.532,342 5.842,343 1.914,344 2.887,345 1.992,346 4.369,347 2.478,348 1.534,349 2.024,350 0.268,351 4.216,352 1.439,353 2.786,354 1.917,355 4.129,356 2.337,357 1.366,358 1.72,360 3.534,361 1.323,362 2.453,363 1.673,364 3.45,365 2.273,366 1.29,367 1.43,369 2.555,370 1.255,371 2.193,372 1.511,373 3.413,374 2.071,375 1.079,376 1.17,378 2.429,379 1.068,380 1.696,381 0.796,382 3.084,383 1.416,384 0.479,385 0.564,386 1.162,387 0.444,388 1.411,389 0.641,390 2.869,391 1.191,392 0.246,393 0.26,394 0.394,395 0.231,396 1.176,397 0.481,398 2.479,399 0.854,400 -0.114,401 -0.14,402 -0.318,403 -0.11,404 0.839,405 -0.042,406 2.288,407 0.397,408 -0.632,409 -0.808,411 -1.445,412 -0.638,413 0.567,414 -0.53,415 1.912,416 0.158,417 -0.808,418 -0.994,420 -1.799,421 -0.774,422 0.398,423 -0.585,424 1.684,425 0.073,426 -0.912,427 -1.188,429 -2.51,430 -0.895,431 0.112,432 -0.785,433 1.573,434 -0.124,435 -1.134,436 -1.444,438 -2.678,439 -1.14,440 9.2,441 0.46,442 0.414,443 0.021,444 25.25,445 1.263,446 11.5,447 0.575,448 13.75,449 0.688,450 13.509,451 0.675,452 22,453 0.629,454 16.63,455 0.832,456 5.114,457 0.256,458 4.644,459 0.232,460 0.091,462 0.326,466 0.867,467 1.412,468 0.736,469 1.171,470 0.646,471 0.953,472 0.877,473 0.945,474 0.832,475 0.95,476 0.626,477 0.9,478 0.907,479 1.07,480 0.906,481 0.993,482 0.88,483 0.946,484 0.945,485 1,486 0.995,487 0.942,488 0.852,489 0.962,490 0.973,491 1.087,492 0.93,493 0.958,494 1.046,495 0.922,496 1.352,497 1.054,498 1.181,499 0.986,500 1.929,501 1.016,502 0.957,503 1.063,504 0.932,505 1.038,506 1.525,507 0.992,508 1.029,509 0.979,510 1.13,511 1.062,512 1.67,513 1.119,514 4,515 0.041,516 1.778,517 1.424,518 0.773,519 0.494,520 0.36,521 0.193,522 0.113,523 0.05,524 4014,525 11338,526 2.107,527 42.9,528 3,529 6,530 2,532 2,534 2,536 1.614,537 2,538 3.195,539 0.41,541 1,543 1,545 58.109,546 1.66,547 3.778,548 4.572,549 4.765,550 4.822,551 4.822,552 2.733,553 4.122,554 4.29,555 3.329,556 632.588,557 7.315,558 6509.92,559 1,560 1,562 1,563 179.525,564 1.295,565 4.266,566 0.182,567 0.007,568 0.059,569 0.055,570 0.035,571 0.024,572 0.019,573 0.011,574 0.009,575 0.006,576 0.407,577 0.5,578 1,579 1.197,580 89.343,581 -0.092,582 -0.204,583 0.05,584 -0.104,585 -0.075,586 -0.006,587 0.148,588 0.144,589 0.072,590 0.05,591 0.097,592 0.034,593 -0.046,594 -0.057,595 0.04,596 -0.021,597 0.041,598 0.026,599 -0.084,600 0.007,601 -0.039,602 0.015,603 -0.031,604 0.006,605 -0.121,606 -0.08,607 0.028,608 -0.004,609 -0.026,610 0.046,611 -0.225,612 -0.012,613 -0.212,614 -0.071,615 -0.276,616 -0.118,617 0.204,618 -0.106,619 0.069,620 -0.093,621 0.069,622 -0.053,623 0.182,624 -0.017,625 -0.138,626 -0.109,627 -0.071,628 -0.188,629 1.874,630 4.796,631 0.7,632 15.5,633 1.017,634 1.132,635 2.02,636 4.082,637 0.656,638 3.135,639 3.434,640 3.689,641 3.951,642 4.06,643 4.094,644 4.22,645 4.317,646 4.248,647 4.304,648 5.44,649 0.639,650 273.32,651 3.135,652 4.654,653 5.493,654 6.361,655 7.22,656 8.094,657 8.961,658 9.836,659 10.706,660 11.582,661 8.6,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 35,700 9,701 1,702 22,704 37,705 14,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 1,719 1,721 10,722 4,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 6,738 2,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,766 1,770 2,773 1,777 2,781 1,785 20,789 3,790 2,791 2,801 8.6,804 1,806 2,808 10,809 6.533,810 4.472,811 2.19,812 2.182,813 1.326,814 0.981,815 3.715,816 8.865,817 3.367,818 3.902,819 4.434,820 4.962,821 5.427,822 5.681,823 6.066,824 6.446,825 6.664,826 6.833,827 1,828 26,829 7.371,831 3.105,832 7.825,833 13.922,835 11.105,837 2.325,838 46.5,839 0.001,842 153.024,843 81.054,844 52.807,846 47.145,849 81.054,850 200.169,851 52.807,852 8.825,853 29.301,854 55.916,855 32.606,856 52.458,857 25.441,858 129.482,860 153.024,861 133.861,862 47.145,865 129.482,866 70.687,869 72.923,870 48.705,871 12.233,873 153.024,874 99.952,875 81.054,878 153.024,879 34.323,880 46.73,881 36.022,882 63.93,883 153.024,884 99.952,885 81.054,887 0.569,888 0.329,889 0.18,890 0.094,891 15,892 6,893 0.108,894 4,895 1,896 1.143,897 3.357,898 146.489,899 0.143,900 14,901 86.439,904 13.153,905 5.649,906 2.865,908 99.952,909 5.512,914 2.253,916 36.022,917 334.03,918 28,922 11.796,923 1.72,924 4.229,925 0.674,926 35.589,927 39.614,928 0.324,929 0.737,930 0.891,931 0.929,932 0.94,933 0.94,934 4.6,935 1.079,936 5.46,937 2.555,938 4.111,939 4.585,940 2.349,941 6.236,942 4.027,943 5.785,944 0.479,945 6.991,946 2.429,947 3.611,948 4.35,949 0.623,950 7.018,951 3.492,952 7.084,953 0.246,954 8.62,955 1.162,956 5.666,957 6.7,958 2.69,959 10.105,960 5.497,961 8.42,962 -0.114,963 10.304,964 0.394,965 6.019,966 7.28,967 1.178,968 11.718,969 5.807,970 9.789,971 -0.632,972 12.025,973 -0.318,974 7.506,975 9.104,976 3.17,977 14.272,978 7.256,979 11.179,980 -0.808,981 13.769,982 -1.445,983 8.252,984 10.057,985 1.72,986 16.229,987 7.957,988 12.585,989 -0.912,990 15.531,991 -1.799,992 9.505,993 11.654,994 3.717,995 18.586,996 9.176,997 2.996,998 -1.134,999 17.306,1000 -2.51,1001 10.434,1002 12.794,1003 2.269,1004 20.693,1005 10.06,1006 2.889,1007 9.358,1008 19.089,1009 -2.678,1010 11.587,1011 14.281,1012 4.301,1013 22.972,1014 11.18,1015 2.295,1016 9.083,1017 20.88,1018 3.975,1019 12.6,1020 15.52,1021 2.823,1022 25.144,1023 12.149,1024 2.009,1025 6.809,1026 22.677,1027 3.682,1028 13.712,1029 16.95,1030 4.908,1031 27.391,1032 13.227,1033 1.534,1034 5.842,1035 24.478,1036 2.928,1037 14.763,1038 18.244,1039 3.377,1040 29.592,1041 14.237,1042 1.366,1043 4.216,1044 26.283,1045 2.52,1046 15.858,1047 19.644,1048 5.53,1049 31.826,1050 15.297,1051 1.29,1052 3.534,1053 28.091,1054 2.024,1055 16.927,1056 20.969,1057 3.928,1058 34.04,1059 16.326,1060 3912,1061 6713,1062 14.909,1063 22.949,1064 32.583,1065 33.791,1066 33.458,1067 32.32,1068 32.365,1069 40.545,1070 8.921,1071 90.763,1072 31.036,1073 5.273,1074 5.665,1075 6.08,1076 5.005,1077 4.996,1078 6.975,1079 2.783,1080 15.687,1081 4.897,1082 7.898,1083 1.481,1084 1.536,1085 1.521,1086 1.469,1087 1.471,1088 1.843,1089 0.405,1090 4.126,1091 1.411,1092 3.994,1093 4.013,1094 3.955,1095 3.895,1096 7.43,1097 3.905,1098 3.802,1099 3.846,1100 3.762,1101 3.592,1102 5.013,1103 3.627,1104 3.587,1105 3.655,1106 3.421,1107 3.422,1108 4.77,1109 3.412,1110 3.31,1111 3.343,1112 3.209,1113 3.057,1114 4.363,1115 3.092,1116 3.067,1117 3.155,1118 2.909,1119 2.835,1120 4.143,1121 2.84,1122 2.907,1123 2.968,1124 2.789,1125 2.714,1126 3.982,1127 2.718,1128 2.725,1129 2.796,1130 2.591,1131 2.534,1132 3.766,1133 2.531,1134 2.639,1135 2.696,1136 2.45,1137 2.339,1138 3.515,1139 2.365,1140 0.199,1141 0.167,1142 0.283,1143 0.18,1144 0.136,1145 4.367,1146 0.181,1147 3.665,1148 0.063,1149 6.218,1150 0.425,1151 3.963,1152 0.132,1153 2.996,1154 3.975,1155 1.392,1156 9.358,1157 2.897,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.16,1163 1.972,1164 1.649,1165 1.571,1166 1.925,1167 1.874,1168 1.097,1169 1.89,1170 1.434,1171 1.417,1172 1.52,1173 1.615,1174 0.593,1175 1.574,1176 1.277,1177 1.197,1178 1.485,1179 1.579,1180 0.57,1181 1.565,1182 1.156,1183 1.124,1184 1.434,1185 1.516,1186 0.546,1187 1.482,1188 0.897,1189 0.819,1190 1.223,1191 1.21,1192 0.228,1193 1.231,1194 0.794,1195 0.737,1196 1.082,1197 0.989,1198 0.154,1199 1.021,1200 0.726,1201 0.669,1202 0.895,1203 0.95,1205 0.935,1206 3.807,1208 5.106,1209 3.045,1210 6.583,1211 5.352,1212 8.147,1213 7.38,1214 9.759,1216 2.049,1222 1.978,1223 5.739,1224 10.551,1231 22.369,1232 58.109,1233 132.241,1234 160.015,1235 166.77,1236 168.77,1237 168.77,1238 26.055,1239 6.683,1240 76.24,1241 76.24,1242 16,1243 12.122,1244 3.322,1245 2.807,1246 30.101,1247 65,1248 73,1249 0.231,1250 137.69,1251 246.31,1252 327.724,1253 6421,1255 13.949,1256 0.697,1257 0.555,1258 13.949,1259 11.103,1260 9.758,1261 0.444,1262 0.296,1263 6.38,1264 9.25,1265 6.258,1266 5.223,1267 9.758,1268 6.513,1269 8.583,1270 0.286,1271 0.149,1272 8.583,1273 4.484,1274 7.146,1275 0.183,1276 0.075,1277 7.146,1278 2.939,1279 5.974,1280 0.117,1281 0.038,1282 5.974,1283 1.956,1284 4.463,1285 0.078,1286 0.021,1287 4.463,1288 1.207,1289 0.362,1290 62.215,1291 0.259,1292 20.107,1293 0.632,1294 104,1295 353.517,1296 119.516,1297 329.613,1298 450.39,1299 310,1300 121,1301 332.306,1302 136.324,1303 331.562,1304 488.84,1305 311,1306 6.62} {0 CHEMBL1803080,1 1.568,2 9.348,3 2.911,4 8.473,5 87.889,6 7.168,7 0.24,8 3.885,9 4.004,10 3.421,11 3.35,12 4.941,13 3.345,14 4.446,15 4.629,16 3.765,17 3.713,18 5.491,19 3.685,20 4.596,21 4.828,22 3.745,23 3.767,24 5.62,25 3.712,26 4.594,27 4.824,28 3.666,29 3.735,30 5.621,31 3.679,32 4.527,33 4.738,34 3.637,35 3.713,36 5.615,37 3.656,38 4.557,39 4.776,40 3.558,41 3.69,42 5.635,43 3.62,44 4.505,45 4.729,46 3.501,47 3.658,48 5.538,49 3.552,50 4.53,51 4.792,52 3.346,53 3.604,54 5.46,55 3.46,56 0.032,57 0.638,58 9.629,59 3.921,60 5.15,61 5.301,62 0.414,63 0.993,64 19.008,65 6.424,66 23.919,67 8.896,68 0.285,69 1.097,70 22.689,71 7.145,72 32.323,73 10.667,74 0.414,75 1.086,76 23.033,77 6.482,78 39.93,79 9.767,80 0.285,81 1.043,82 20.933,83 6.381,84 36.381,85 9.39,86 0.43,87 1.023,88 22.185,89 6.398,90 47.996,91 9.329,92 0.388,93 0.948,94 20.755,95 7.248,96 40.018,97 10.389,98 0.425,99 0.913,100 22.052,101 7.534,102 43.027,103 11.035,104 19,105 34,106 0.275,107 0.612,108 0.773,109 0.824,110 0.856,111 0.88,112 3.188,113 0.958,114 -4,115 -3.95,116 -3.74,119 38.6,120 2,121 2,124 2,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 6,161 3,162 4,164 2,166 1,168 4,171 1,172 8,176 1,178 2,182 11,185 1,187 2,194 10,199 2,202 1,205 1,206 3,211 2,213 4,216 3,217 1,222 1,224 7,228 2,232 1,237 7,242 1,245 1,250 4,255 743,256 15.878,257 15.878,258 15.878,259 15.878,260 15.878,261 14.696,262 20.167,263 9.662,264 16.225,265 12.291,266 12.291,267 12.291,268 12.291,269 12.291,270 10.269,271 23.145,272 4.461,273 12.866,274 3.892,275 1.972,276 1.051,277 0.762,278 0.58,279 0.443,280 3.869,283 1,284 1,285 457,286 3.082,288 121.677,289 60.914,291 97.429,295 1.493,296 23.08,297 1,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 50.5,307 215,308 4.463,309 3.828,310 6.684,311 4.118,312 3.168,313 3.989,314 1.399,315 10.751,316 3.015,317 4.275,318 3.305,319 6.195,320 3.885,321 2.934,322 3.78,323 1.392,324 9.261,325 2.786,326 3.697,327 2.883,328 5.596,329 3.335,330 2.37,331 2.989,332 1.005,333 7.375,334 2.276,335 3.363,336 2.487,337 5.173,338 2.983,339 2.013,340 2.525,341 0.532,342 6.112,343 1.94,344 3.046,345 2.078,346 4.777,347 2.709,348 1.768,349 2.085,350 0.27,351 5.011,352 1.661,353 2.885,354 1.99,355 4.364,356 2.477,357 1.534,358 2.021,359 0.204,360 4.204,361 1.438,362 2.497,363 1.808,364 3.618,365 2.327,366 1.351,367 1.464,369 2.652,370 1.313,371 2.34,372 1.672,373 3.451,374 2.15,375 1.153,376 1.263,378 2.467,379 1.145,380 2.188,381 1.381,382 3.334,383 2.059,384 1.065,385 1.156,386 2.1,387 1.056,388 1.727,389 0.871,390 3.079,391 1.441,392 0.494,393 0.584,394 1.176,395 0.463,396 1.588,397 0.79,398 2.894,399 1.336,400 0.361,401 0.39,402 0.604,403 0.349,404 1.396,405 0.481,406 2.573,407 1.065,408 0.097,409 0.124,411 0.2,412 0.094,413 0.896,414 -0.039,415 2.361,416 0.663,417 -0.309,418 -0.339,420 -0.672,421 -0.297,422 0.599,423 -0.311,424 2.181,425 0.248,426 -0.741,427 -0.892,429 -1.46,430 -0.723,431 0.45,432 -0.551,433 1.956,434 0.13,435 -0.856,436 -0.994,438 -1.796,439 -0.839,440 10.7,441 0.465,442 0.448,443 0.019,444 27,445 1.174,446 11.5,447 0.5,448 15.5,449 0.674,450 19.006,451 0.826,452 25.9,453 0.589,454 18.817,455 0.818,456 5.229,457 0.227,458 5.995,459 0.261,460 0.125,462 0.318,466 0.829,467 1.54,468 0.803,469 1.282,470 0.633,471 1.069,472 0.891,473 0.98,474 0.857,475 0.944,476 0.643,477 0.902,478 0.84,479 1.125,480 0.799,481 0.967,482 0.772,483 0.879,484 1.192,485 0.963,486 1.048,487 0.847,488 1.29,489 0.888,490 1.162,491 1.195,492 1.094,493 1.065,494 1.45,495 1.05,496 1.363,497 0.968,498 1.233,499 0.956,500 2.016,501 1.036,502 0.68,503 1.117,504 0.978,505 1.177,506 1.104,507 1.146,508 0.569,509 0.934,510 0.896,511 1.042,512 0.965,513 1.04,514 4,515 0.073,516 2.444,517 2.021,518 1.103,519 0.74,520 0.456,521 0.271,522 0.196,523 0.101,524 5485,525 13799,526 2.067,527 47.7,528 6,529 8,530 2,532 1,534 4,536 1.659,537 1.944,538 3.236,539 -0.284,540 1,541 1,543 1,545 68.98,546 1.568,547 3.488,548 4.408,549 4.698,550 4.88,551 5.016,552 2.719,553 4.35,554 4.492,555 3.373,556 853.353,557 7.748,558 9739.34,560 1,562 1,563 240.215,564 1.371,565 4.458,566 0.16,567 0.007,568 0.072,569 0.061,570 0.037,571 0.026,572 0.018,573 0.011,574 0.01,575 0.007,576 0.409,577 0.33,578 1,579 1.389,580 107.461,581 -0.035,582 -0.288,583 0.068,584 -0.148,585 -0.043,586 -0.039,587 0.169,588 0.135,589 0.104,590 0.067,591 0.087,592 0.066,593 0.023,594 -0.088,595 0.161,596 0.012,597 0.119,598 0.101,599 -0.156,600 0.103,601 -0.06,602 0.083,603 -0.101,604 0.045,605 -0.182,606 -0.107,607 -0.132,608 -0.093,609 -0.087,610 -0.096,611 -0.226,612 0.092,613 -0.241,614 -0.017,615 -0.259,616 -0.107,617 0.196,618 -0.13,619 -0.028,620 -0.158,621 0.081,622 -0.142,623 0.231,624 -0.023,625 0.065,626 -0.047,627 0.062,628 -0.028,629 1.733,630 5.554,631 0.609,632 19.648,633 1.005,634 1.133,635 2.769,636 7.668,637 0.642,638 3.258,639 3.555,640 3.85,641 4.127,642 4.263,643 4.317,644 4.431,645 4.522,646 4.5,647 4.605,648 5.694,649 0.612,650 315.41,651 3.258,652 4.779,653 5.631,654 6.509,655 7.385,656 8.271,657 9.155,658 10.045,659 10.932,660 11.823,661 6.8,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 44,700 9,701 1,702 25,704 46,705 17,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 2,719 2,721 10,722 7,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 21,737 6,738 1,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,767 1,770 2,773 1,777 2,781 2,785 23,789 5,790 1,791 2,794 1,801 6.8,804 1,806 2,808 11.833,809 8.483,810 5.278,811 3.015,812 2.165,813 1.312,814 0.959,815 4.985,816 9.109,817 3.466,818 3.98,819 4.535,820 5.055,821 5.523,822 5.791,823 6.177,824 6.563,825 6.825,826 7.071,827 1,828 33,829 8.523,831 3.55,832 7.717,833 16.337,835 13.042,837 2.217,838 51,841 1,842 235.422,843 94.519,844 37.921,846 47.145,849 94.519,850 282.567,851 37.921,852 17.65,853 19.055,854 55.916,855 32.606,856 52.458,857 25.441,858 211.88,860 235.422,861 132.44,862 47.145,865 188.338,866 94.229,869 71.502,870 48.705,871 12.233,873 235.422,874 85.065,875 94.519,878 235.422,879 38.964,880 58.68,881 18.011,882 63.93,883 235.422,884 85.065,885 94.519,887 0.562,888 0.337,889 0.194,890 0.106,891 16,892 7,893 0.13,894 6,895 1,896 1.143,897 3.54,898 180.175,899 0.143,900 14,901 104.042,904 16.029,905 7.153,906 3.408,908 85.065,909 5.6,914 2.296,916 18.011,917 415.006,918 31,922 12.554,923 1.785,924 4.466,925 1.018,926 44.24,927 49.86,928 0.287,929 0.639,930 0.807,931 0.861,932 0.894,933 0.919,934 4.705,935 1.153,936 5.602,937 2.652,938 4.234,939 4.663,940 2.409,941 6.418,942 4.145,943 5.881,944 1.065,945 7.16,946 2.467,947 3.761,948 4.425,949 0.81,950 7.318,951 3.617,952 7.182,953 0.494,954 8.822,955 2.1,956 5.82,957 6.766,958 2.778,959 10.442,960 5.632,961 8.523,962 0.361,963 10.546,964 1.176,965 6.236,966 7.373,967 1.554,968 12.196,969 5.986,970 9.901,971 0.097,972 12.309,973 0.604,974 7.723,975 9.179,976 3.292,977 14.813,978 7.434,979 11.303,980 -0.309,981 14.1,982 0.2,983 8.542,984 10.161,985 2.257,986 16.914,987 8.19,988 12.723,989 -0.741,990 15.909,991 -0.672,992 9.807,993 11.746,994 3.873,995 19.36,996 9.415,997 3.168,998 -0.856,999 17.733,1000 -1.46,1001 10.804,1002 12.91,1003 2.951,1004 21.608,1005 10.353,1006 2.934,1007 10.751,1008 19.567,1009 -1.796,1010 11.984,1011 14.391,1012 4.489,1013 23.994,1014 11.49,1015 2.37,1016 9.261,1017 21.411,1018 3.989,1019 13.059,1020 15.648,1021 3.641,1022 26.305,1023 12.508,1024 2.013,1025 7.375,1026 23.262,1027 3.78,1028 14.208,1029 17.076,1030 5.126,1031 28.673,1032 13.611,1033 1.768,1034 6.112,1035 25.119,1036 2.989,1037 15.316,1038 18.383,1039 4.328,1040 31.011,1041 14.666,1042 1.534,1043 5.011,1044 26.98,1045 2.525,1046 16.455,1047 19.784,1048 5.774,1049 33.375,1050 15.758,1051 1.351,1052 4.204,1053 28.846,1054 2.085,1055 17.579,1056 21.118,1057 5.012,1058 35.728,1059 16.83,1060 5407,1061 8754,1062 16.701,1063 28.233,1064 37.169,1065 38.371,1066 38.486,1067 36.638,1068 36.614,1069 44.741,1070 9.603,1071 103.83,1072 35.071,1073 5.37,1074 5.828,1075 6.545,1076 5.162,1077 5.168,1078 6.989,1079 2.791,1080 17.799,1081 5.015,1082 10.526,1083 1.487,1084 1.535,1085 1.539,1086 1.466,1087 1.465,1088 1.79,1089 0.384,1090 4.153,1091 1.403,1092 4.003,1093 4.027,1094 3.965,1095 3.899,1096 7.428,1097 3.91,1098 3.84,1099 3.879,1100 3.797,1101 3.644,1102 5.013,1103 3.674,1104 3.601,1105 3.68,1106 3.423,1107 3.435,1108 4.743,1109 3.419,1110 3.518,1111 3.581,1112 3.355,1113 3.363,1114 4.362,1115 3.353,1116 3.297,1117 3.335,1118 3.179,1119 3.049,1120 4.146,1121 3.079,1122 3.067,1123 3.155,1124 2.909,1125 2.838,1126 4.093,1127 2.842,1128 2.942,1129 3.03,1130 2.794,1131 2.723,1132 3.979,1133 2.725,1134 2.809,1135 2.881,1136 2.626,1137 2.621,1138 3.762,1139 2.605,1140 0.179,1141 0.153,1142 0.267,1143 0.165,1144 0.127,1145 4.463,1146 0.16,1147 3.828,1148 0.056,1149 6.684,1150 0.43,1151 4.118,1152 0.121,1153 3.168,1154 3.989,1155 1.399,1156 10.751,1157 3.015,1158 1.892,1159 1.876,1160 1.976,1161 1.97,1162 1.181,1163 1.972,1164 1.68,1165 1.606,1166 1.936,1167 1.906,1168 1.152,1169 1.915,1170 1.617,1171 1.544,1172 1.906,1173 1.819,1174 1.096,1175 1.851,1176 1.425,1177 1.401,1178 1.52,1179 1.593,1180 0.607,1181 1.57,1182 1.245,1183 1.164,1184 1.492,1185 1.529,1186 0.587,1187 1.526,1188 1.156,1189 1.124,1190 1.435,1191 1.516,1192 0.57,1193 1.482,1194 0.948,1195 0.85,1196 1.344,1197 1.245,1198 0.484,1199 1.284,1200 0.794,1201 0.741,1202 1.082,1203 0.991,1204 0.154,1205 1.021,1206 3.932,1208 5.231,1209 3.045,1210 6.723,1211 5.416,1212 8.309,1213 7.506,1214 9.947,1216 4.127,1222 3.558,1223 3.224,1224 10.669,1227 1.703,1231 26.95,1232 68.98,1233 153.46,1234 193.95,1235 206.705,1236 214.705,1237 220.705,1238 35.716,1239 6.943,1240 65.38,1241 65.38,1242 16,1243 12.352,1244 3.322,1245 2.807,1246 36.769,1247 77,1248 82,1249 0.234,1250 166.467,1251 298.21,1252 397.94,1253 8621,1255 16.234,1256 0.706,1257 0.585,1258 16.234,1259 13.464,1260 11.224,1261 0.449,1262 0.319,1263 7.842,1264 10.691,1265 7.646,1266 6.423,1267 11.224,1268 7.984,1269 9.576,1270 0.282,1271 0.161,1272 9.576,1273 5.461,1274 8.215,1275 0.179,1276 0.079,1277 8.215,1278 3.627,1279 6.94,1280 0.114,1281 0.041,1282 6.94,1283 2.514,1284 5.346,1285 0.076,1286 0.023,1287 5.346,1288 1.622,1289 0.362,1290 71.137,1291 0.245,1292 22.535,1293 0.655,1294 118,1295 372.83,1296 134.21,1297 347.92,1298 479.53,1299 328,1300 139,1301 357.574,1302 156.155,1303 356.582,1304 530.25,1305 335,1306 5} {0 CHEMBL1803081,1 1.566,2 9.538,3 3.615,4 13.068,5 98.395,6 7.765,7 0.414,8 3.928,9 4.032,10 3.539,11 3.458,12 5.048,13 3.46,14 4.451,15 4.601,16 3.896,17 3.823,18 5.575,19 3.809,20 4.614,21 4.818,22 3.882,23 3.879,24 5.704,25 3.84,26 4.603,27 4.808,28 3.838,29 3.841,30 5.705,31 3.804,32 4.58,33 4.775,34 3.836,35 3.829,36 5.747,37 3.803,38 4.566,39 4.747,40 3.773,41 3.82,42 5.74,43 3.78,44 4.559,45 4.756,46 3.698,47 3.814,48 5.672,49 3.735,50 4.552,51 4.765,52 3.578,53 3.791,54 5.587,55 3.678,56 0.042,57 0.649,58 8.493,59 3.987,60 5.935,61 4.868,62 0.387,63 1.046,64 16.742,65 6.629,66 22.436,67 8.251,68 0.285,69 1.2,70 21.33,71 7.677,72 30.857,73 10.331,74 0.344,75 1.188,76 21.382,77 7.217,78 34.458,79 9.649,80 0.321,81 1.169,82 20.576,83 6.831,84 39.519,85 8.889,86 0.391,87 1.133,88 20.041,89 6.811,90 46.303,91 8.564,92 0.424,93 1.079,94 20.338,95 7.832,96 44.276,97 10.311,98 0.393,99 1.051,100 20.576,101 8.268,102 42.582,103 11.126,104 8,105 40,106 0.268,107 0.617,108 0.768,109 0.852,110 0.87,111 0.87,112 3.305,113 0.889,114 -4.46,115 -4.39,116 -4.14,119 44.4,120 1,121 1,124 1,125 1,130 1,132 1,133 8,134 1,135 3,147 1,148 1,159 9,161 3,162 5,164 2,166 1,168 8,171 1,172 9,176 1,178 4,182 14,185 1,187 3,194 12,199 3,202 2,205 1,206 5,211 3,213 7,216 3,217 1,222 1,224 13,228 2,232 1,237 13,242 2,245 1,250 8,255 1014,256 18.077,257 18.077,258 18.077,259 18.077,260 18.077,261 16.169,262 21.748,263 10.947,264 18.418,265 14.325,266 14.325,267 14.325,268 14.325,269 14.325,270 11.312,271 27.412,272 5.182,273 14.898,274 3.926,275 1.89,276 1.011,277 0.522,278 0.417,279 0.417,280 4.004,283 1,284 1,285 543,286 2.828,288 135.531,289 151.214,291 111.032,295 1.497,296 24.043,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 56.5,307 248,308 4.525,309 3.863,310 6.888,311 4.195,312 3.248,313 4.011,314 1.399,315 11.488,316 3.079,317 4.287,318 3.306,319 6.196,320 3.893,321 2.939,322 3.863,323 1.392,324 9.269,325 2.798,326 3.892,327 2.925,328 5.782,329 3.475,330 2.499,331 3.384,332 1.005,333 7.882,334 2.432,335 3.607,336 2.603,337 5.242,338 3.198,339 2.226,340 2.936,341 0.532,342 6.512,343 2.163,344 3.363,345 2.401,346 5.163,347 2.972,348 2.009,349 2.523,350 0.27,351 6.014,352 1.918,353 3.035,354 1.993,355 4.525,356 2.589,357 1.62,358 2.186,359 0.204,360 4.27,361 1.566,362 2.886,363 1.925,364 4.36,365 2.477,366 1.534,367 2.024,369 4.146,370 1.438,371 2.691,372 1.679,373 3.633,374 2.328,375 1.351,376 1.657,378 2.837,379 1.314,380 2.5,381 1.665,382 3.452,383 2.18,384 1.184,385 1.5,386 2.561,387 1.173,388 2.455,389 1.388,390 3.447,391 2.065,392 1.072,393 1.432,394 2.432,395 1.062,396 2.195,397 1,398 3.247,399 2,400 1,401 1.173,402 2.136,403 1,404 1.73,405 0.817,406 3.135,407 1.424,408 0.485,409 0.575,411 1.185,412 0.451,413 1.568,414 0.779,415 2.96,416 1.266,417 0.302,418 0.325,420 0.523,421 0.289,422 1.394,423 0.481,424 2.692,425 1.005,426 0.025,427 0.035,429 0.066,430 0.025,431 0.894,432 -0.04,433 2.384,434 0.603,435 -0.387,436 -0.458,438 -0.888,439 -0.378,440 12.2,441 0.469,442 0.5,443 0.019,444 35.5,445 1.365,446 18,447 0.692,448 17.5,449 0.673,450 18.763,451 0.722,452 27.4,453 0.609,454 25.865,455 0.995,456 7.11,457 0.273,458 5.648,459 0.217,460 0.068,462 0.32,466 0.821,467 1.34,468 0.727,469 1.106,470 0.636,471 0.93,472 0.889,473 0.995,474 0.852,475 0.946,476 0.681,477 0.906,478 0.88,479 1.117,480 0.839,481 0.961,482 0.801,483 0.893,484 1.059,485 1.077,486 0.942,487 0.907,488 1.018,489 0.888,490 1.256,491 1.096,492 1.023,493 0.914,494 1.569,495 0.903,496 1.377,497 1.033,498 1.214,499 0.982,500 2.036,501 1.036,502 0.802,503 1.01,504 1.038,505 1.08,506 1.311,507 1.101,508 0.597,509 0.995,510 1.03,511 1.141,512 1.043,513 1.17,514 4,515 0.081,516 2.444,517 2.236,518 1.339,519 0.779,520 0.577,521 0.295,522 0.22,523 0.144,524 7999,525 20978,526 2.148,527 42.2,528 3,529 11,530 2,532 1,534 2,536 1.695,537 2.053,538 3.267,539 -0.332,541 1,545 70.474,546 1.566,547 3.602,548 4.481,549 4.969,550 5.075,551 5.075,552 2.701,553 4.393,554 4.67,555 3.428,556 1114.11,557 8.116,558 13821,560 1,562 1,563 247.133,564 1.239,565 4.65,566 0.138,567 0.005,568 0.061,569 0.057,570 0.036,571 0.021,572 0.017,573 0.01,574 0.008,575 0.007,576 0.36,577 0.17,578 1,579 1.008,580 126.196,581 -0.042,582 -0.21,583 0.066,584 -0.099,585 -0.064,586 -0.014,587 0.167,588 0.087,589 0.05,590 0.022,591 0.043,592 0.006,593 -0.002,594 -0.078,595 0.11,596 -0.002,597 0.093,598 0.064,599 -0.084,600 -0.018,601 0.023,602 0.029,603 0.033,604 0.047,605 -0.203,606 -0.017,607 -0.065,608 0.012,609 -0.088,610 0.01,611 -0.23,612 0.042,613 -0.262,614 -0.052,615 -0.27,616 -0.137,617 0.131,618 -0.026,619 -0.089,620 -0.09,621 -0.002,622 -0.124,623 0.194,624 -0.052,625 -0.08,626 -0.127,627 -0.015,628 -0.152,629 1.826,630 5.965,631 0.769,632 23.077,633 1.008,634 1.121,635 3.234,636 10.456,637 0.677,638 3.401,639 3.714,640 4.025,641 4.331,642 4.511,643 4.585,644 4.745,645 4.86,646 4.875,647 4.99,648 5.978,649 0.654,650 349.42,651 3.401,652 4.934,653 5.796,654 6.681,655 7.564,656 8.459,657 9.35,658 10.249,659 11.145,660 12.046,661 6.7,663 1,668 1,670 1,675 8,680 4,682 12,697 2,699 45,700 15,701 2,702 29,704 48,705 20,706 12,707 4,708 8,709 4,710 4,711 5,714 1,715 1,719 1,721 16,722 4,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 19,737 6,738 1,739 6,743 3,747 0.75,748 3,759 2,760 2,762 1,767 1,770 2,773 1,777 3,781 1,785 26,789 3,790 1,791 2,794 1,801 6.7,804 1,806 2,808 12.667,809 8.4,810 5.806,811 2.826,812 2.992,813 1.403,814 1.001,815 4.736,816 10.419,817 3.664,818 4.22,819 4.796,820 5.361,821 5.865,822 6.101,823 6.531,824 6.947,825 7.24,826 7.579,827 1,828 39,829 9.611,831 4.094,832 7.718,833 18.307,835 14.863,837 2.218,838 57.667,841 1,842 211.88,843 131.192,844 37.921,846 47.145,849 131.192,850 259.025,851 37.921,852 8.825,853 14.415,854 103.297,855 32.606,856 55.214,857 25.441,858 188.338,860 211.88,861 169.112,862 47.145,865 188.338,866 70.687,869 58.036,870 98.843,871 12.233,873 211.88,874 85.065,875 131.192,878 211.88,879 37.08,880 97.236,881 18.011,882 63.93,883 211.88,884 85.065,885 131.192,887 0.569,888 0.339,889 0.196,890 0.107,891 20,892 8,893 0.104,894 5,895 1,896 1.1,897 3.838,898 223.521,899 0.1,900 20,901 118.211,904 16.824,905 7.319,906 3.394,908 85.065,909 15.081,914 3.016,916 18.011,917 428.137,918 38,922 12.965,923 1.765,924 4.524,925 0.772,926 45.356,927 50.445,928 0.285,929 0.656,930 0.816,931 0.905,932 0.924,933 0.924,934 4.898,935 1.351,936 5.765,937 4.146,938 4.394,939 4.905,940 2.409,941 6.589,942 4.316,943 6.086,944 1.184,945 7.323,946 2.837,947 3.892,948 4.575,949 0.81,950 7.506,951 3.753,952 7.385,953 1.072,954 8.987,955 2.561,956 5.984,957 7.03,958 2.778,959 10.658,960 5.813,961 8.724,962 1,963 10.716,964 2.432,965 6.382,966 7.537,967 1.554,968 12.469,969 6.136,970 10.098,971 0.485,972 12.488,973 2.136,974 7.893,975 9.436,976 3.292,977 15.123,978 7.62,979 11.496,980 0.302,981 14.291,982 1.185,983 8.708,984 10.337,985 2.257,986 17.297,987 8.357,988 12.914,989 0.025,990 16.116,991 0.523,992 9.992,993 11.987,994 3.873,995 19.793,996 9.608,997 3.248,998 -0.387,999 17.957,1000 0.066,1001 10.997,1002 13.095,1003 2.951,1004 22.117,1005 10.541,1006 2.939,1007 11.488,1008 19.812,1009 -0.888,1010 12.195,1011 14.617,1012 4.489,1013 24.564,1014 11.698,1015 2.499,1016 9.269,1017 21.678,1018 4.011,1019 13.285,1020 15.839,1021 3.641,1022 26.951,1023 12.722,1024 2.226,1025 7.882,1026 23.553,1027 3.863,1028 14.454,1029 17.294,1030 5.126,1031 29.386,1032 13.843,1033 2.009,1034 6.512,1035 25.435,1036 3.384,1037 15.582,1038 18.58,1039 4.328,1040 31.8,1041 14.91,1042 1.62,1043 6.014,1044 27.323,1045 2.936,1046 16.743,1047 19.998,1048 5.774,1049 34.234,1050 16.02,1051 1.534,1052 4.27,1053 29.217,1054 2.523,1055 17.889,1056 21.321,1057 5.012,1058 36.661,1059 17.108,1060 7557,1061 12413,1062 19.879,1063 30.472,1064 43.566,1065 44.821,1066 44.336,1067 43.005,1068 42.989,1069 55.245,1070 9.603,1071 122.642,1072 41.418,1073 5.432,1074 5.863,1075 6.749,1076 5.242,1077 5.248,1078 7.011,1079 2.791,1080 18.674,1081 5.079,1082 9.127,1083 1.502,1084 1.546,1085 1.529,1086 1.483,1087 1.482,1088 1.905,1089 0.331,1090 4.229,1091 1.428,1092 4.022,1093 4.05,1094 3.986,1095 3.916,1096 7.428,1097 3.927,1098 3.909,1099 3.93,1100 3.861,1101 3.821,1102 5.014,1103 3.823,1104 3.726,1105 3.774,1106 3.664,1107 3.558,1108 4.816,1109 3.583,1110 3.583,1111 3.644,1112 3.422,1113 3.421,1114 4.655,1115 3.411,1116 3.306,1117 3.338,1118 3.208,1119 3.062,1120 4.357,1121 3.096,1122 3.067,1123 3.155,1124 2.912,1125 2.845,1126 4.14,1127 2.849,1128 2.937,1129 2.997,1130 2.822,1131 2.743,1132 3.981,1133 2.747,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.766,1139 2.715,1140 0.156,1141 0.133,1142 0.238,1143 0.145,1144 0.112,1145 4.525,1146 0.138,1147 3.863,1148 0.048,1149 6.888,1150 0.396,1151 4.195,1152 0.106,1153 3.248,1154 4.011,1155 1.399,1156 11.488,1157 3.079,1158 1.897,1159 1.879,1160 2.009,1161 1.993,1162 1.161,1163 1.998,1164 1.883,1165 1.855,1166 1.975,1167 1.969,1168 1.1,1169 1.971,1170 1.645,1171 1.568,1172 1.922,1173 1.857,1174 1.068,1175 1.881,1176 1.43,1177 1.413,1178 1.519,1179 1.594,1180 0.593,1181 1.57,1182 1.262,1183 1.195,1184 1.46,1185 1.535,1186 0.57,1187 1.513,1188 1.156,1189 1.124,1190 1.432,1191 1.516,1192 0.551,1193 1.481,1194 0.934,1195 0.853,1196 1.217,1197 1.206,1198 0.321,1199 1.224,1200 0.886,1201 0.821,1202 1.181,1203 1.062,1204 0.218,1205 1.107,1206 4.078,1208 5.389,1209 3.045,1210 6.897,1211 5.416,1212 8.497,1213 7.516,1214 10.148,1216 2.07,1222 1.906,1223 3.237,1224 10.725,1227 1.606,1231 29.423,1232 70.474,1233 162.075,1234 201.624,1235 223.624,1236 228.379,1237 228.379,1238 36.658,1239 7.428,1240 65.38,1241 65.38,1242 22,1243 12.568,1244 4,1245 3.322,1246 37.865,1247 92,1248 91,1249 0.201,1250 179.069,1251 318.93,1252 428.688,1253 16026,1255 17.933,1256 0.69,1257 0.555,1258 17.933,1259 14.437,1260 12.758,1261 0.44,1262 0.296,1263 8.456,1264 12.231,1265 8.284,1266 6.907,1267 12.758,1268 8.594,1269 11.098,1270 0.277,1271 0.15,1272 11.098,1273 5.981,1274 9.658,1275 0.176,1276 0.075,1277 9.658,1278 4.108,1279 8.367,1280 0.112,1281 0.038,1282 8.367,1283 2.849,1284 6.598,1285 0.073,1286 0.021,1287 6.598,1288 1.865,1289 0.309,1290 80.306,1291 0.224,1292 24.937,1293 0.567,1294 138,1295 424.83,1296 154.543,1297 402.788,1298 560.22,1299 380,1300 164,1301 422.278,1302 181.488,1303 423.715,1304 629.18,1305 399,1306 5} {0 CHEMBL1803082,1 1.696,2 8.579,3 1.309,4 1.713,5 69.196,6 8.103,7 0.286,8 3.615,9 3.718,10 3.25,11 3.077,12 4.776,13 3.11,14 4.131,15 4.277,16 3.607,17 3.428,18 5.346,19 3.446,20 4.217,21 4.413,22 3.476,23 3.425,24 5.39,25 3.407,26 4.13,27 4.325,28 3.322,29 3.337,30 5.24,31 3.295,32 4.079,33 4.295,34 3.224,35 3.237,36 5.202,37 3.201,38 3.966,39 4.151,40 3.155,41 3.09,42 5.204,43 3.073,44 3.813,45 3.995,46 3.064,47 2.883,48 5.112,49 2.888,50 3.66,51 3.858,52 2.863,53 2.774,54 4.836,55 2.736,56 0.098,57 0.484,58 5.782,59 2.634,60 6.665,61 3.12,62 0.428,63 0.736,64 11.923,65 4.435,66 24.083,67 5.361,68 0.36,69 0.765,70 14.115,71 4.652,72 31.641,73 6.151,74 0.329,75 0.697,76 12.871,77 4.437,78 26.447,79 5.869,80 0.313,81 0.651,82 12.814,83 3.944,84 27.303,85 5.356,86 0.32,87 0.554,88 11.192,89 3.616,90 32.934,91 4.618,92 0.405,93 0.457,94 9.905,95 2.866,96 38.352,97 3.725,98 0.32,99 0.397,100 8.398,101 2.691,102 23.396,103 3.689,104 7,105 29,106 0.319,107 0.714,108 0.837,109 0.876,110 0.888,111 0.888,112 3.01,113 0.859,114 -2.99,115 -2.99,116 -2.88,119 40.6,120 1,124 1,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 4,161 1,162 3,164 3,165 1,166 1,168 4,171 1,172 6,176 1,178 2,182 7,185 1,187 3,194 4,199 3,205 1,206 2,211 3,213 1,216 2,220 1,222 1,224 1,228 1,232 2,237 2,245 1,250 1,255 402,256 13.041,257 13.041,258 13.041,259 13.041,260 13.041,261 11.81,262 17.583,263 7.8,264 13.38,265 10.364,266 10.364,267 10.364,268 10.364,269 10.364,270 8.303,271 20.265,272 3.657,273 10.871,274 3.304,275 1.2,276 0.547,277 0.336,278 0.274,279 0.274,280 3.689,284 1,285 354,286 2.449,288 93.06,289 46.134,291 73.848,295 1.346,296 20.062,299 1,300 1,301 1,302 0.8,304 1,305 0.83,306 42.5,307 163,308 4.367,309 3.665,310 6.218,311 3.963,312 2.996,313 3.975,314 1.392,315 9.358,316 2.897,317 4.23,318 3.305,319 6.143,320 3.84,321 2.889,322 3.682,323 1.305,324 9.082,325 2.742,326 3.632,327 2.83,328 5.29,329 3.256,330 2.292,331 2.927,332 0.964,333 6.805,334 2.203,335 3.359,336 2.45,337 5.032,338 2.953,339 1.993,340 2.517,341 0.532,342 5.824,343 1.893,344 2.887,345 1.992,346 4.369,347 2.477,348 1.534,349 2.024,350 0.268,351 4.216,352 1.439,353 2.785,354 1.906,355 4.129,356 2.273,357 1.292,358 1.719,360 3.533,361 1.255,362 2.201,363 1.651,364 3.448,365 2.074,366 1.083,367 1.176,369 2.435,370 1.071,371 2.142,372 1.318,373 3.144,374 1.97,375 1.022,376 1.088,378 1.735,379 0.965,380 1.689,381 0.795,382 3.07,383 1.412,384 0.476,385 0.559,386 1.155,387 0.441,388 1.27,389 0.618,390 2.861,391 0.865,392 -0.099,393 -0.124,394 -0.275,395 -0.095,396 0.862,397 0.047,398 2.288,399 0.569,400 -0.404,401 -0.426,402 -0.685,403 -0.388,404 0.691,405 -0.262,406 2,407 0.347,408 -0.661,409 -0.963,411 -1.635,412 -0.659,413 0.505,414 -0.584,415 1.911,416 0.097,417 -0.893,418 -1.185,420 -2.506,421 -0.878,422 0.329,423 -0.658,424 1.603,425 -0.063,426 -1.072,427 -1.319,429 -2.557,430 -1.071,431 -0.309,432 -1.058,433 1.509,434 -0.468,435 -1.412,436 -1.527,438 -3.751,439 -1.334,440 8.7,441 0.458,442 0.414,443 0.022,444 24.75,445 1.303,446 11.5,447 0.605,448 13.25,449 0.697,450 11.997,451 0.631,452 20.7,453 0.647,454 16.204,455 0.853,456 5.136,457 0.27,458 4.122,459 0.217,460 0.096,462 0.345,466 0.878,467 1.404,468 0.706,469 1.149,470 0.654,471 0.918,472 0.901,473 0.904,474 0.806,475 0.898,476 0.638,477 0.848,478 0.974,479 1.014,480 0.942,481 0.955,482 0.943,483 0.927,484 0.934,485 1.114,486 1.033,487 1.074,488 0.866,489 1.074,490 1.033,491 0.978,492 1.023,493 0.929,494 1.116,495 0.942,496 1.215,497 1.159,498 1.081,499 1.115,500 1.857,501 1.079,502 1.117,503 1.02,504 1.008,505 0.957,506 1.834,507 0.959,508 0.666,509 0.976,510 0.931,511 1.055,512 0.733,513 1.06,514 4,515 0.032,516 1.778,517 1.424,518 0.773,519 0.494,520 0.264,521 0.193,522 0.113,523 0.05,524 3429,525 10307,526 2.113,527 40.6,529 6,530 2,532 2,534 3,536 1.6,537 2,538 3.1,539 0.445,541 1,542 1,543 1,545 54.279,546 1.696,547 3.8,548 4.453,549 4.664,550 4.726,551 4.726,552 2.531,553 3.932,554 4.219,555 3.214,556 549.667,557 7.172,558 5393,559 1,560 1,563 160,564 1.324,565 4.189,566 0.19,567 0.008,568 0.061,569 0.057,570 0.037,571 0.026,572 0.016,573 0.013,574 0.009,575 0.008,576 0.426,577 0.67,578 1,579 1.013,580 82.687,581 -0.11,582 -0.216,583 0.047,584 -0.11,585 -0.096,586 -0.006,587 0.126,588 0.178,589 0.079,590 0.085,591 0.081,592 0.063,593 -0.095,594 0.012,595 -0.01,596 0.009,597 -0.003,598 0.028,599 -0.086,600 -0.106,601 -0.109,602 -0.094,603 -0.033,604 -0.105,605 -0.176,606 0.027,607 -0.064,608 0.016,609 -0.087,610 0.021,611 -0.136,612 -0.197,613 -0.111,614 -0.156,615 -0.187,616 -0.136,617 0.143,618 -0.064,619 0.006,620 -0.037,621 -0.085,622 -0.052,623 0.346,624 -0.018,625 0.056,626 -0.102,627 0.195,628 -0.098,629 1.881,630 4.708,631 0.737,632 13.235,633 1.022,634 1.131,635 1.757,636 3.086,637 0.662,638 3.091,639 3.401,640 3.664,641 3.932,642 4.025,643 4.06,644 4.159,645 4.248,646 4.205,647 4.248,648 5.082,649 0.651,650 259.29,651 3.091,652 4.615,653 5.46,654 6.333,655 7.195,656 8.072,657 8.94,658 9.818,659 10.688,660 11.566,661 9.4,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 32,700 9,701 1,702 21,704 34,705 13,706 6,707 3,708 3,709 4,710 3,711 4,714 1,715 1,721 10,722 3,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 13,737 6,738 2,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,766 1,770 2,773 1,777 2,781 1,785 19,789 2,790 2,791 2,801 9.4,804 1,806 2,808 9.5,809 6.033,810 4.222,811 1.94,812 2.183,813 1.331,814 0.988,815 3.232,816 8.77,817 3.332,818 3.882,819 4.422,820 4.955,821 5.414,822 5.671,823 6.044,824 6.425,825 6.646,826 6.807,827 0.833,828 25,829 6.989,831 2.958,832 7.868,833 13.105,835 10.438,837 2.368,838 45,839 0.001,842 129.482,843 78.519,844 52.807,846 47.145,849 78.519,850 176.627,851 52.807,852 8.825,853 26.767,854 55.916,855 32.606,856 52.458,857 25.441,858 105.94,860 129.482,861 131.326,862 47.145,865 94.169,866 82.458,869 70.388,870 48.705,871 12.233,873 129.482,874 99.952,875 78.519,878 129.482,879 31.789,880 46.73,881 36.022,882 63.93,883 129.482,884 99.952,885 78.519,887 0.573,888 0.335,889 0.188,890 0.093,891 15,892 6,893 0.088,894 3,895 1,896 1.143,897 3.238,898 138.077,899 0.143,900 14,901 80.711,904 12.203,905 5.032,906 2.477,908 99.952,909 5.494,914 2.245,916 36.022,917 307.953,918 27,922 11.708,923 1.71,924 4.182,925 0.642,926 32.705,927 36.199,928 0.339,929 0.76,930 0.891,931 0.933,932 0.945,933 0.945,934 4.57,935 1.022,936 5.434,937 2.435,938 4.078,939 4.564,940 2.349,941 6.221,942 3.99,943 5.763,944 0.476,945 6.973,946 1.735,947 3.611,948 4.35,949 0.623,950 7.018,951 3.492,952 7.068,953 -0.099,954 8.607,955 1.155,956 5.645,957 6.692,958 2.69,959 10.1,960 5.474,961 8.409,962 -0.404,963 10.296,964 -0.275,965 6.019,966 7.28,967 1.178,968 11.718,969 5.807,970 9.781,971 -0.661,972 12.019,973 -0.685,974 7.495,975 9.102,976 3.17,977 14.27,978 7.244,979 11.173,980 -0.893,981 13.766,982 -1.635,983 8.252,984 10.057,985 1.72,986 16.229,987 7.957,988 12.581,989 -1.072,990 15.529,991 -2.506,992 9.499,993 11.653,994 3.717,995 18.585,996 9.17,997 2.996,998 -1.412,999 17.304,1000 -2.557,1001 10.434,1002 12.794,1003 2.269,1004 20.693,1005 10.06,1006 2.889,1007 9.358,1008 19.088,1009 -3.751,1010 11.584,1011 14.28,1012 4.301,1013 22.971,1014 11.177,1015 2.292,1016 9.082,1017 20.879,1018 3.975,1019 12.599,1020 15.52,1021 2.823,1022 25.144,1023 12.149,1024 1.993,1025 6.805,1026 22.676,1027 3.682,1028 13.71,1029 16.95,1030 4.908,1031 27.39,1032 13.225,1033 1.534,1034 5.824,1035 24.478,1036 2.927,1037 14.762,1038 18.244,1039 3.377,1040 29.592,1041 14.236,1042 1.292,1043 4.216,1044 26.283,1045 2.517,1046 15.856,1047 19.644,1048 5.53,1049 31.825,1050 15.296,1051 1.083,1052 3.533,1053 28.09,1054 2.024,1055 16.926,1056 20.969,1057 3.928,1058 34.039,1059 16.326,1060 3337,1061 5900,1062 14.216,1063 21.188,1064 31.441,1065 32.74,1066 32.169,1067 31.121,1068 31.154,1069 39.335,1070 8.921,1071 88.283,1072 29.813,1073 5.245,1074 5.665,1075 5.985,1076 5.005,1077 4.996,1078 6.975,1079 2.783,1080 15.687,1081 4.897,1082 7.548,1083 1.497,1084 1.559,1085 1.532,1086 1.482,1087 1.484,1088 1.873,1089 0.425,1090 4.204,1091 1.42,1092 3.993,1093 4.012,1094 3.955,1095 3.895,1096 7.43,1097 3.904,1098 3.796,1099 3.839,1100 3.76,1101 3.582,1102 5.013,1103 3.621,1104 3.495,1105 3.57,1106 3.335,1107 3.3,1108 4.771,1109 3.294,1110 3.295,1111 3.327,1112 3.183,1113 3.038,1114 4.364,1115 3.072,1116 2.952,1117 3.022,1118 2.815,1119 2.79,1120 4.109,1121 2.788,1122 2.839,1123 2.897,1124 2.74,1125 2.608,1126 3.977,1127 2.616,1128 2.721,1129 2.785,1130 2.588,1131 2.466,1132 3.676,1133 2.499,1134 2.413,1135 2.503,1136 2.241,1137 2.195,1138 3.348,1139 2.203,1140 0.208,1141 0.175,1142 0.296,1143 0.189,1144 0.143,1145 4.367,1146 0.189,1147 3.665,1148 0.066,1149 6.218,1150 0.446,1151 3.963,1152 0.138,1153 2.996,1154 3.975,1155 1.392,1156 9.358,1157 2.897,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.971,1164 1.568,1165 1.484,1166 1.847,1167 1.83,1168 0.994,1169 1.834,1170 1.43,1171 1.412,1172 1.513,1173 1.613,1174 0.59,1175 1.574,1176 1.188,1177 1.126,1178 1.434,1179 1.519,1180 0.566,1181 1.485,1182 1.156,1183 1.106,1184 1.368,1185 1.486,1186 0.332,1187 1.47,1188 0.794,1189 0.763,1190 1.086,1191 1.037,1192 0.155,1193 1.04,1194 0.774,1195 0.72,1196 1.028,1197 0.988,1198 0.085,1199 1.015,1200 0.513,1201 0.385,1202 0.845,1203 0.848,1205 0.86,1206 3.761,1208 5.069,1209 3.045,1210 6.555,1211 5.352,1212 8.127,1213 7.38,1214 9.744,1216 1.939,1222 0.939,1223 5.618,1224 10.524,1231 20.843,1232 54.279,1233 121.594,1234 142.49,1235 149.245,1236 151.245,1237 151.245,1238 23.328,1239 6.588,1240 76.24,1241 76.24,1242 16,1243 12.105,1244 3.322,1245 2.807,1246 27.923,1247 58,1248 61,1249 0.242,1250 128.098,1251 229.01,1252 304.319,1253 5601,1255 13.242,1256 0.697,1257 0.547,1258 13.242,1259 10.396,1260 9.258,1261 0.441,1262 0.286,1263 5.88,1264 8.742,1265 5.77,1266 4.795,1267 9.258,1268 6.013,1269 8.229,1270 0.284,1271 0.141,1272 8.229,1273 4.087,1274 6.877,1275 0.181,1276 0.072,1277 6.877,1278 2.741,1279 5.889,1280 0.118,1281 0.038,1282 5.889,1283 1.881,1284 4.243,1285 0.077,1286 0.02,1287 4.243,1288 1.113,1289 0.375,1290 59.215,1291 0.265,1292 19.07,1293 0.671,1294 100,1295 349.517,1296 115.516,1297 325.368,1298 444.59,1299 306,1300 117,1301 328.306,1302 132.158,1303 327.222,1304 482.64,1305 307,1306 6.387} {0 CHEMBL1803083,1 1.65,2 9.381,3 1.78,4 3.169,5 76.39,6 7.926,7 0.25,8 3.738,9 3.842,10 3.366,11 3.237,12 4.83,13 3.256,14 4.261,15 4.409,16 3.677,17 3.575,18 5.401,19 3.567,20 4.37,21 4.579,22 3.56,23 3.559,24 5.463,25 3.517,26 4.303,27 4.528,28 3.406,29 3.464,30 5.327,31 3.408,32 4.2,33 4.418,34 3.393,35 3.371,36 5.272,37 3.337,38 4.125,39 4.313,40 3.334,41 3.29,42 5.31,43 3.278,44 4.037,45 4.233,46 3.273,47 3.148,48 5.25,49 3.13,50 3.868,51 4.045,52 3.009,53 2.993,54 5.087,55 2.95,56 0.08,57 0.549,58 6.809,59 3.152,60 5.952,61 3.788,62 0.41,63 0.845,64 13.714,65 5.337,66 24.849,67 6.572,68 0.336,69 0.893,70 16.987,71 5.757,72 32.844,73 7.845,74 0.371,75 0.825,76 16.469,77 5.207,78 30.893,79 7.197,80 0.269,81 0.757,82 14.581,83 4.677,84 25.769,85 6.494,86 0.36,87 0.696,88 13.105,89 3.823,90 36.302,91 4.893,92 0.38,93 0.592,94 12.46,95 4.026,96 33.308,97 5.384,98 0.395,99 0.49,100 10.406,101 3.386,102 37.883,103 4.287,104 2,105 34,106 0.3,107 0.692,108 0.826,109 0.86,110 0.871,111 0.871,112 3.103,113 0.879,114 -3.51,115 -3.48,116 -3.33,119 41.7,121 2,122 1,124 1,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,159 7,161 1,162 3,164 3,165 1,166 1,168 4,171 1,172 6,176 3,178 2,182 7,185 1,187 3,194 6,199 5,205 1,206 2,211 3,213 1,216 2,217 2,220 1,222 1,224 3,228 1,232 2,237 4,245 1,250 5,255 567,256 14.48,257 14.48,258 14.48,259 14.48,260 14.48,261 13.25,262 17.583,263 8.47,264 14.775,265 11.882,266 11.882,267 11.882,268 11.882,269 11.882,270 9.821,271 20.265,272 4.08,273 12.36,274 3.52,275 1.369,276 0.632,277 0.444,278 0.389,279 0.389,280 3.791,283 1,284 1,285 447,286 2.55,287 40.928,288 106.721,289 53.461,291 85.463,295 1.637,296 21.339,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 46.5,307 197,308 4.368,309 3.665,310 6.218,311 3.964,312 2.998,313 3.975,314 1.392,315 9.358,316 2.898,317 4.231,318 3.305,319 6.144,320 3.843,321 2.892,322 3.683,323 1.305,324 9.085,325 2.745,326 3.695,327 2.866,328 5.505,329 3.651,330 2.656,331 2.932,332 0.964,333 7.423,334 2.642,335 3.594,336 2.621,337 5.281,338 3.247,339 2.28,340 2.675,341 0.532,342 6.783,343 2.198,344 3.336,345 2.446,346 5.018,347 2.917,348 1.958,349 2.47,350 0.268,351 5.798,352 1.859,353 2.887,354 1.992,355 4.369,356 2.477,357 1.534,358 2.024,360 4.216,361 1.439,362 2.783,363 1.892,364 4.129,365 2.273,366 1.291,367 1.718,369 3.533,370 1.255,371 2.195,372 1.64,373 3.448,374 2.072,375 1.08,376 1.172,378 2.435,379 1.069,380 1.932,381 1.121,382 3.313,383 1.754,384 0.809,385 0.859,386 1.902,387 0.762,388 1.684,389 0.794,390 3.084,391 1.411,392 0.475,393 0.557,394 1.157,395 0.44,396 1.263,397 0.614,398 2.868,399 0.867,400 -0.097,401 -0.121,402 -0.277,403 -0.093,404 0.87,405 0.042,406 2.472,407 0.689,408 -0.286,409 -0.296,411 -0.696,412 -0.277,413 0.755,414 -0.202,415 2.288,416 0.373,417 -0.649,418 -0.936,420 -1.622,421 -0.651,422 0.535,423 -0.583,424 2,425 0.106,426 -0.883,427 -1,429 -2.462,430 -0.866,431 0.363,432 -0.615,433 1.912,435 -1,436 -1.105,438 -2.515,439 -0.975,440 9.7,441 0.462,442 0.482,443 0.023,444 26.25,445 1.25,446 11.5,447 0.548,448 14.75,449 0.702,450 14.435,451 0.687,452 22.7,453 0.631,454 16.8,455 0.8,456 5.104,457 0.243,458 5.172,459 0.246,460 0.034,462 0.361,466 0.846,467 1.326,468 0.709,469 1.1,470 0.603,471 0.903,472 0.869,473 0.997,474 0.908,475 1.032,476 0.606,477 0.997,478 0.89,479 1.125,480 0.919,481 1.038,482 0.86,483 0.987,484 0.958,485 0.952,486 1.001,487 0.899,488 0.849,489 0.934,490 0.945,491 1.166,492 0.87,493 0.968,494 1.036,495 0.902,496 1.406,497 0.986,498 1.21,499 0.915,500 1.955,501 0.974,502 0.901,503 1.058,504 0.87,505 1.043,506 1.475,507 0.968,508 1.148,509 0.964,510 1.204,511 1.055,512 1.953,513 1.137,514 4.5,515 0.032,516 2.056,517 1.396,518 0.808,519 0.431,520 0.386,521 0.212,522 0.132,523 0.04,524 5235,525 13481,526 2.215,527 41.7,528 4,529 6,530 2,532 2,534 1,536 1.628,537 2.136,538 3.221,539 0.378,540 1,541 1,543 1,545 59.401,546 1.65,547 3.801,548 4.538,549 4.725,550 4.781,551 4.781,552 2.725,553 4.107,554 4.362,555 3.395,556 712.925,557 7.453,558 7669.3,559 1,560 1,562 1,563 186.117,564 1.166,565 4.35,566 0.188,567 0.004,568 0.066,569 0.052,570 0.035,571 0.019,572 0.018,573 0.011,574 0.009,575 0.004,576 0.406,577 0.5,578 1,579 0.418,580 95.847,581 -0.087,582 -0.147,583 0.058,584 -0.058,585 -0.037,586 0.023,587 0.138,588 0.081,589 -0.021,590 -0.043,591 0.111,592 -0.075,593 -0.032,594 -0.124,595 0.032,596 -0.07,597 0.055,598 -0.014,599 -0.088,600 0.05,601 -0.028,602 0.048,603 -0.029,604 0.035,605 -0.09,606 -0.165,607 0.096,608 -0.015,609 -0.016,610 0.069,611 -0.261,612 0.083,613 -0.247,614 -0.014,615 -0.296,616 -0.094,617 0.237,618 -0.102,619 0.132,620 -0.091,621 0.084,622 -0.018,623 0.129,624 -0.003,625 -0.21,626 -0.102,627 -0.136,628 -0.216,629 1.856,630 4.893,631 0.81,632 17.143,633 1.016,634 1.128,635 2.276,636 5.182,637 0.665,638 3.219,639 3.555,640 3.761,641 4.007,642 4.127,643 4.19,644 4.331,645 4.477,646 4.419,647 4.431,648 5.703,649 0.649,650 285.33,651 3.219,652 4.762,653 5.617,654 6.494,655 7.359,656 8.236,657 9.106,658 9.982,659 10.853,660 11.729,661 8.3,663 1,668 1,670 1,675 3,680 3,682 6,697 2,699 36,700 9,701 1,702 24,704 39,705 15,706 6,707 3,708 3,709 4,710 4,711 5,714 1,716 2,717 1,719 2,721 10,722 5,723 1,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 6,738 2,739 6,743 3,747 0.75,748 3,758 1,759 2,760 1,762 1,766 1,770 2,773 1,777 3,785 21,789 4,790 2,791 2,793 1,801 8.3,804 1,806 2,808 9.833,809 6.367,810 4.472,811 2.19,812 2.18,813 1.315,814 1.016,815 3.166,816 9.105,817 3.434,818 3.98,819 4.469,820 4.983,821 5.449,822 5.712,823 6.1,824 6.494,825 6.714,826 6.888,827 1,828 27,829 7.77,831 3.41,832 7.754,833 14.897,835 12.649,837 2.254,838 47.333,839 0.001,842 153.024,843 74.763,844 52.807,846 47.145,849 74.763,850 200.169,851 52.807,853 31.836,854 55.916,855 32.606,856 52.458,857 25.441,858 129.482,860 153.024,861 127.57,862 47.145,865 141.253,866 58.916,869 66.632,870 48.705,871 12.233,873 153.024,874 99.952,875 74.763,878 153.024,879 36.858,880 37.905,881 36.022,882 63.93,883 153.024,884 99.952,885 74.763,887 0.588,888 0.318,889 0.167,890 0.082,891 19,892 7,893 0.103,894 4,895 1,896 1.118,897 3.609,898 161.891,899 0.118,900 17,901 90.239,904 12.863,905 5.168,906 2.939,908 99.952,909 5.546,914 2.277,916 36.022,917 327.739,918 30,922 11.893,923 1.739,924 4.292,925 0.747,926 36.589,927 40.614,928 0.319,929 0.735,930 0.878,931 0.914,932 0.925,933 0.925,934 4.696,935 1.08,936 5.595,937 3.533,938 4.234,939 4.663,940 2.349,941 6.378,942 4.16,943 5.895,944 0.809,945 7.136,946 2.435,947 3.892,948 4.494,949 0.623,950 7.235,951 3.803,952 7.202,953 0.475,954 8.771,955 1.902,956 5.832,957 6.762,958 2.69,959 10.239,960 5.689,961 8.539,962 -0.097,963 10.457,964 1.157,965 6.256,966 7.353,967 1.178,968 11.863,969 6.09,970 9.903,971 -0.286,972 12.175,973 -0.277,974 7.688,975 9.143,976 3.17,977 14.379,978 7.479,979 11.286,980 -0.649,981 13.915,982 -0.696,983 8.453,984 10.093,985 1.72,986 16.327,987 8.214,988 12.683,989 -0.883,990 15.669,991 -1.622,992 9.679,993 11.676,994 3.717,995 18.664,996 9.402,997 2.998,998 -1,999 17.435,1000 -2.462,1001 10.605,1002 12.812,1003 2.269,1004 20.759,1005 10.292,1006 2.892,1007 9.358,1008 19.21,1009 -2.515,1010 11.743,1011 14.292,1012 4.301,1013 23.025,1014 11.393,1015 2.656,1016 9.085,1017 20.991,1018 3.975,1019 12.746,1020 15.529,1021 2.823,1022 25.188,1023 12.358,1024 2.28,1025 7.423,1026 22.779,1027 3.683,1028 13.846,1029 16.956,1030 4.908,1031 27.427,1032 13.422,1033 1.958,1034 6.783,1035 24.571,1036 2.932,1037 14.887,1038 18.248,1039 3.377,1040 29.621,1041 14.423,1042 1.534,1043 5.798,1044 26.368,1045 2.675,1046 15.972,1047 19.647,1048 5.53,1049 31.85,1050 15.472,1051 1.291,1052 4.216,1053 28.168,1054 2.47,1055 17.032,1056 20.971,1057 3.928,1058 34.06,1059 16.492,1060 4781,1061 7820,1062 16.701,1063 23.949,1064 36.432,1065 37.902,1066 36.423,1067 35.888,1068 35.948,1069 44.128,1070 8.921,1071 103.377,1072 34.616,1073 5.349,1074 5.665,1075 5.729,1076 5.028,1077 4.998,1078 6.975,1079 2.783,1080 15.689,1081 4.898,1082 5.441,1083 1.518,1084 1.579,1085 1.518,1086 1.495,1087 1.498,1088 1.839,1089 0.372,1090 4.307,1091 1.442,1092 4.002,1093 4.03,1094 3.958,1095 3.899,1096 7.43,1097 3.908,1098 3.908,1099 3.951,1100 3.806,1101 3.801,1102 5.013,1103 3.79,1104 3.759,1105 3.797,1106 3.705,1107 3.559,1108 4.771,1109 3.596,1110 3.326,1111 3.362,1112 3.233,1113 3.079,1114 4.374,1115 3.113,1116 3.138,1117 3.212,1118 3.009,1119 2.888,1120 4.269,1121 2.904,1122 2.912,1123 2.97,1124 2.794,1125 2.739,1126 3.987,1127 2.741,1128 2.725,1129 2.794,1130 2.592,1131 2.538,1132 3.804,1133 2.535,1134 2.618,1135 2.661,1136 2.482,1137 2.322,1138 3.519,1139 2.36,1140 0.182,1141 0.153,1142 0.259,1143 0.165,1144 0.125,1145 4.368,1146 0.166,1147 3.665,1148 0.058,1149 6.218,1150 0.39,1151 3.964,1152 0.121,1153 2.998,1154 3.975,1155 1.392,1156 9.358,1157 2.898,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.971,1164 1.534,1165 1.463,1166 1.747,1167 1.789,1168 1.074,1169 1.775,1170 1.428,1171 1.408,1172 1.513,1173 1.612,1174 0.825,1175 1.574,1176 1.17,1177 1.126,1178 1.512,1179 1.518,1180 0.591,1181 1.483,1182 1.154,1183 1.097,1184 1.434,1185 1.432,1186 0.566,1187 1.429,1188 1.153,1189 1.064,1190 1.332,1191 1.376,1192 0.394,1193 1.421,1194 0.794,1195 0.764,1196 1.086,1197 1.025,1198 0.159,1199 1.032,1200 0.776,1201 0.721,1202 1.036,1203 0.987,1204 0.145,1205 1.013,1206 3.892,1207 1.946,1208 5.22,1209 4.111,1210 6.72,1211 6.075,1212 8.296,1213 7.936,1214 9.913,1222 3.627,1223 5.899,1224 10.585,1226 0.728,1231 23.369,1232 59.401,1233 136.833,1234 163.362,1235 170.117,1236 172.117,1237 172.117,1238 26.064,1239 6.926,1240 76.24,1241 76.24,1242 19,1243 12.269,1244 3.322,1245 2.807,1246 28.167,1247 71,1248 68,1249 0.192,1250 139.889,1251 251.25,1252 333.09,1253 9028,1255 14.234,1256 0.678,1257 0.542,1258 14.234,1259 11.387,1260 10.276,1261 0.428,1262 0.293,1263 6.898,1264 9.772,1265 6.809,1266 5.594,1267 10.276,1268 7.031,1269 9.461,1270 0.278,1271 0.158,1272 9.461,1273 5.381,1274 7.572,1275 0.18,1276 0.08,1277 7.572,1278 3.363,1279 6.241,1280 0.116,1281 0.04,1282 6.241,1283 2.158,1284 4.644,1285 0.076,1286 0.022,1287 4.644,1288 1.317,1289 0.303,1290 65.32,1291 0.245,1292 21.15,1293 0.52,1294 116,1295 365.517,1296 131.516,1297 341.796,1298 469.65,1299 322,1300 137,1301 348.306,1302 152.491,1303 348.114,1304 514.53,1305 327,1306 7} {0 CHEMBL1803084,1 1.614,2 10.792,3 3.301,4 10.894,5 91.048,6 8.24,7 0.444,8 3.807,9 3.904,10 3.464,11 3.348,12 4.982,13 3.365,14 4.304,15 4.43,16 3.835,17 3.716,18 5.52,19 3.719,20 4.429,21 4.594,22 3.732,23 3.751,24 5.609,25 3.714,26 4.442,27 4.656,28 3.56,29 3.65,30 5.489,31 3.577,32 4.326,33 4.554,34 3.528,35 3.509,36 5.426,37 3.475,38 4.186,39 4.365,40 3.511,41 3.417,42 5.432,43 3.418,44 4.133,45 4.311,46 3.461,47 3.317,48 5.432,49 3.315,50 4.014,51 4.196,52 3.283,53 3.223,54 5.263,55 3.205,56 0.076,57 0.568,58 6.531,59 3.303,60 6.564,61 3.705,62 0.384,63 0.898,64 12.806,65 5.632,66 22.664,67 6.452,68 0.292,69 1.011,70 15.211,71 6.248,72 29.435,73 7.519,74 0.324,75 0.984,76 17.871,77 6.792,78 31.096,79 8.884,80 0.304,81 0.894,82 16.647,83 5.537,84 30.737,85 7.306,86 0.312,87 0.789,88 12.849,89 4.279,90 29.434,91 5.032,92 0.397,93 0.699,94 12.829,95 4.5,96 38.785,97 5.501,98 0.416,99 0.631,100 11.358,101 3.721,102 35.893,103 4.432,104 5,105 38,106 0.285,107 0.646,108 0.767,109 0.856,110 0.865,111 0.865,112 3.228,113 0.836,114 -4,115 -3.96,116 -3.75,119 46.2,120 1,125 1,130 1,132 1,133 7,134 2,135 3,147 1,148 1,159 9,161 1,162 3,164 3,165 1,166 2,168 10,171 1,172 6,176 3,178 6,182 8,185 1,187 5,194 6,199 6,205 1,206 4,211 4,213 2,216 2,217 3,220 1,222 2,224 4,228 1,229 1,232 2,237 7,242 1,245 1,250 8,255 820,256 16.342,257 16.342,258 16.342,259 16.342,260 16.342,261 14.335,262 21.589,263 9.594,264 16.638,265 13.365,266 13.365,267 13.365,268 13.365,269 13.365,270 10.225,271 26.735,272 4.634,273 13.853,274 3.671,275 1.622,276 0.933,277 0.43,278 0.378,279 0.378,280 3.927,283 1,284 1,285 577,286 2.449,288 123.792,289 144.11,291 100.907,295 1.826,296 21.652,297 1,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 52.5,307 259,308 4.372,309 3.667,310 6.22,311 3.968,312 3.003,313 3.975,314 1.392,315 9.369,316 2.901,317 4.239,318 3.305,319 6.148,320 3.849,321 2.899,322 3.716,323 1.305,324 9.109,325 2.748,326 4.011,327 2.936,328 5.524,329 3.6,330 2.616,331 3.587,332 0.964,333 7.474,334 2.573,335 3.637,336 2.625,337 5.248,338 3.258,339 2.288,340 2.943,341 0.532,342 6.661,343 2.21,344 3.456,345 2.452,346 5.028,347 3.105,348 2.121,349 2.728,350 0.268,351 5.968,352 2.079,353 3.202,354 2.202,355 4.74,356 2.706,357 1.744,358 2.361,360 5.135,361 1.667,362 2.887,363 1.991,364 4.369,365 2.477,366 1.534,367 2.024,369 4.214,370 1.439,371 2.78,372 1.849,373 4.128,374 2.273,375 1.291,376 1.715,378 3.529,379 1.255,380 2.5,381 1.619,382 3.448,383 2.071,384 1.079,385 1.5,386 2.434,387 1.068,388 2.194,389 1,390 3.414,391 2,392 1,393 1.17,394 2.275,395 1,396 1.699,397 0.796,398 3.09,399 1.415,400 0.478,401 0.563,402 1.165,403 0.443,404 1.47,405 0.643,406 2.933,407 1.127,408 0.17,409 0.203,411 0.413,412 0.162,413 1.231,414 0.48,415 2.842,416 0.857,417 -0.111,418 -0.138,420 -0.314,421 -0.107,422 0.862,423 0.007,424 2.288,425 0.487,426 -0.506,427 -0.597,429 -1.252,430 -0.495,431 0.713,432 -0.258,433 2,434 0.331,435 -0.668,436 -0.97,438 -1.736,439 -0.662,440 11.2,441 0.467,442 0.588,443 0.025,444 34.25,445 1.427,446 18,447 0.75,448 16.25,449 0.677,450 15.126,451 0.63,452 24.8,453 0.636,454 23.645,455 0.985,456 7.05,457 0.294,458 4.619,459 0.192,460 0.074,462 0.357,466 0.852,467 1.211,468 0.69,469 1.006,470 0.664,471 0.84,472 0.853,473 0.93,474 0.789,475 0.911,476 0.63,477 0.863,478 0.955,479 1.203,480 1.098,481 1.166,482 0.956,483 1.155,484 0.802,485 1.165,486 0.996,487 1.103,488 0.772,489 1.096,490 0.967,491 1.035,492 0.843,493 0.826,494 0.998,495 0.794,496 1.295,497 1.067,498 1.073,499 0.925,500 1.605,501 0.919,502 1.041,503 1.065,504 0.891,505 0.967,506 1.668,507 0.91,508 1.143,509 0.751,510 1.115,511 0.797,512 1.603,513 0.898,514 5.5,515 0.095,516 2.222,517 1.674,518 0.956,519 0.636,520 0.496,521 0.301,522 0.222,523 0.056,524 7305,525 20276,526 2.161,527 38.5,528 3,529 8,530 2,532 2,536 1.664,537 2.057,538 3.407,539 0.296,540 1,541 1,543 1,545 62.959,546 1.614,547 3.663,548 4.352,549 4.856,550 4.907,551 4.907,552 2.907,553 4.418,554 4.556,555 3.567,556 984.503,557 7.838,558 11773.2,559 1,560 1,561 1,562 1,563 206.131,564 1.281,565 4.532,566 0.204,567 0.007,568 0.058,569 0.051,570 0.035,571 0.024,572 0.019,573 0.013,574 0.011,575 0.004,576 0.426,577 0.5,578 1,579 0.49,580 115.44,581 -0.084,582 -0.112,583 0.047,584 -0.046,585 -0.109,586 0.02,587 0.169,588 0.117,589 0.062,590 0.048,591 0.084,592 0.022,593 -0.095,594 -0.164,595 -0.214,596 -0.215,597 -0.048,598 -0.233,600 -0.202,601 -0.01,602 -0.123,603 0.013,604 -0.084,605 -0.089,606 -0.025,607 0.18,608 0.121,609 0.02,610 0.198,611 -0.181,612 0.02,613 -0.118,614 -0.027,615 -0.127,616 -0.041,617 0.187,618 -0.076,619 0.116,620 -0.024,621 0.074,622 0.018,623 0.087,624 0.298,625 -0.123,626 0.118,627 -0.084,628 -0.002,629 1.915,630 5.077,631 0.833,632 21.097,633 1.015,634 1.118,635 2.774,636 7.693,637 0.691,638 3.332,639 3.664,640 3.912,641 4.174,642 4.331,643 4.357,644 4.511,645 4.635,646 4.673,647 4.762,648 6.359,649 0.676,650 321.36,651 3.332,652 4.875,653 5.72,654 6.594,655 7.453,656 8.328,657 9.192,658 10.067,659 10.935,660 11.81,661 7.7,666 1,668 1,670 1,675 7,680 5,682 12,692 1,697 2,699 39,700 15,701 2,702 27,704 42,705 18,706 12,707 5,708 7,709 4,710 4,711 5,714 1,715 1,721 16,722 2,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 6,738 2,739 6,743 3,747 0.75,748 3,759 2,760 2,762 1,766 1,770 2,777 3,781 1,785 24,789 1,790 2,791 2,801 7.7,804 1,806 2,808 11.667,809 7.367,810 5.139,811 2.183,812 3.137,813 1.427,814 1.023,815 3.805,816 10.477,817 3.611,818 4.205,819 4.741,820 5.279,821 5.778,822 5.965,823 6.353,824 6.758,825 7.061,826 7.348,827 1,828 33,829 8.831,831 3.792,832 7.785,833 16.667,835 13.573,837 2.285,838 54.833,842 153.024,843 120.261,844 52.807,846 47.145,849 120.261,850 200.169,851 52.807,852 8.825,853 24.661,854 75.81,855 50.617,856 58.4,857 25.441,858 129.482,860 153.024,861 173.068,862 47.145,865 153.024,866 47.145,869 50.272,870 92.552,871 30.244,873 153.024,874 99.952,875 120.261,878 153.024,879 35.625,880 84.635,881 36.022,882 63.93,883 153.024,884 99.952,885 120.261,887 0.587,888 0.334,889 0.178,890 0.093,891 20,892 8,893 0.071,894 3,895 1,896 1.1,897 3.786,898 194.573,899 0.1,900 20,901 106.039,904 14.937,905 6.113,906 3.208,908 99.952,909 13.341,914 4.234,916 36.022,917 373.237,918 36,922 12.077,923 1.709,924 4.31,925 0.501,926 39.589,927 43.614,928 0.305,929 0.693,930 0.823,931 0.919,932 0.928,933 0.928,934 4.852,935 1.291,936 5.7,937 4.214,938 4.344,939 4.89,940 2.349,941 6.475,942 4.275,943 6.06,944 1.079,945 7.233,946 3.529,947 3.892,948 4.649,949 0.623,950 7.235,951 3.79,952 7.365,953 1,954 8.856,955 2.434,956 5.911,957 7.037,958 2.69,959 10.3,960 5.77,961 8.701,962 0.478,963 10.53,964 2.275,965 6.256,966 7.556,967 1.178,968 11.866,969 6.071,970 10.064,971 0.17,972 12.237,973 1.165,974 7.734,975 9.43,976 3.17,977 14.415,978 7.519,979 11.445,980 -0.111,981 13.966,982 0.413,983 8.453,984 10.312,985 1.72,986 16.336,987 8.188,988 12.841,989 -0.506,990 15.712,991 -0.314,992 9.704,993 11.951,994 3.717,995 18.689,996 9.41,997 3.003,998 -0.668,999 17.471,1000 -1.252,1001 10.606,1002 13.03,1003 2.269,1004 20.774,1005 10.262,1006 2.899,1007 9.369,1008 19.239,1009 -1.736,1010 11.756,1011 14.545,1012 4.301,1013 23.048,1014 11.382,1015 2.616,1016 9.109,1017 21.017,1018 3.975,1019 12.749,1020 15.736,1021 2.823,1022 25.207,1023 12.325,1024 2.288,1025 7.474,1026 22.8,1027 3.716,1028 13.856,1029 17.182,1030 4.908,1031 27.451,1032 13.399,1033 2.121,1034 6.661,1035 24.59,1036 3.587,1037 14.893,1038 18.44,1039 3.377,1040 29.645,1041 14.389,1042 1.744,1043 5.968,1044 26.385,1045 2.943,1046 15.983,1047 19.848,1048 5.53,1049 31.876,1050 15.444,1051 1.534,1052 5.135,1053 28.183,1054 2.728,1055 17.042,1056 21.146,1057 3.928,1058 34.087,1059 16.459,1060 6783,1061 11465,1062 18.493,1063 26.949,1064 40.892,1065 42.059,1066 41.079,1067 40.411,1068 40.445,1069 52.973,1070 8.921,1071 115.493,1072 39.093,1073 5.272,1074 5.667,1075 5.731,1076 5.015,1077 5.003,1078 6.975,1079 2.783,1080 15.712,1081 4.901,1082 8.886,1083 1.515,1084 1.558,1085 1.521,1086 1.497,1087 1.498,1088 1.962,1089 0.33,1090 4.278,1091 1.448,1092 4.006,1093 4.031,1094 3.966,1095 3.907,1096 7.43,1097 3.915,1098 3.918,1099 3.943,1100 3.859,1101 3.846,1102 5.015,1103 3.844,1104 3.754,1105 3.787,1106 3.718,1107 3.557,1108 4.839,1109 3.595,1110 3.327,1111 3.365,1112 3.235,1113 3.108,1114 4.661,1115 3.128,1116 3.212,1117 3.276,1118 3.081,1119 3.009,1120 4.347,1121 3.022,1122 2.947,1123 3.017,1124 2.809,1125 2.788,1126 3.999,1127 2.786,1128 2.854,1129 2.925,1130 2.732,1131 2.735,1132 3.94,1133 2.715,1134 2.839,1135 2.896,1136 2.687,1137 2.613,1138 3.674,1139 2.62,1140 0.162,1141 0.136,1142 0.23,1143 0.147,1144 0.111,1145 4.372,1146 0.147,1147 3.667,1148 0.052,1149 6.22,1150 0.347,1151 3.968,1152 0.107,1153 3.003,1154 3.975,1155 1.392,1156 9.369,1157 2.901,1158 1.914,1159 1.885,1160 2.037,1161 2.01,1162 1.131,1163 2.02,1164 1.89,1165 1.874,1166 1.975,1167 1.968,1168 1.097,1169 1.97,1170 1.438,1171 1.42,1172 1.57,1173 1.64,1174 0.631,1175 1.607,1176 1.345,1177 1.275,1178 1.511,1179 1.608,1180 0.589,1181 1.574,1182 1.157,1183 1.124,1184 1.434,1185 1.517,1186 0.565,1187 1.482,1188 1.12,1189 1.043,1190 1.35,1191 1.369,1192 0.307,1193 1.394,1194 0.886,1195 0.821,1196 1.181,1197 1.062,1198 0.218,1199 1.107,1200 0.794,1201 0.764,1202 1.084,1203 1.024,1204 0.154,1205 1.026,1206 4.007,1208 5.333,1209 3.045,1210 6.83,1211 5.352,1212 8.404,1213 7.38,1214 10.018,1216 2.019,1222 0.221,1223 5.804,1224 10.617,1231 26.369,1232 62.959,1233 142.87,1234 169.724,1235 189.376,1236 191.376,1237 191.376,1238 29.912,1239 7.34,1240 76.24,1241 76.24,1242 22,1243 12.351,1244 4,1245 3.322,1246 34.054,1247 91,1248 93,1249 0.181,1250 159.884,1251 284.33,1252 381.877,1253 15768,1255 16.518,1256 0.688,1257 0.542,1258 16.518,1259 12.998,1260 11.67,1261 0.432,1262 0.279,1263 7.394,1264 11.168,1265 7.218,1266 5.998,1267 11.67,1268 7.524,1269 10.802,1270 0.284,1271 0.146,1272 10.802,1273 5.548,1274 8.982,1275 0.183,1276 0.076,1277 8.982,1278 3.711,1279 7.474,1280 0.117,1281 0.038,1282 7.474,1283 2.462,1284 5.825,1285 0.078,1286 0.021,1287 5.825,1288 1.589,1289 0.287,1290 73.638,1291 0.233,1292 23.753,1293 0.484,1294 130,1295 413.517,1296 145.849,1297 393.684,1298 542.59,1299 370,1300 152,1301 404.869,1302 167.657,1303 408.849,1304 598.94,1305 383,1306 6.77} {0 CHEMBL1803085,1 1.687,2 10.792,3 2.547,4 6.487,5 87.701,6 8.739,7 0.444,8 3.779,9 3.864,10 3.47,11 3.293,12 5.026,13 3.334,14 4.25,15 4.352,16 3.846,17 3.658,18 5.558,19 3.687,20 4.399,21 4.553,22 3.742,23 3.677,24 5.666,25 3.67,26 4.364,27 4.557,28 3.561,29 3.567,30 5.5,31 3.526,32 4.256,33 4.466,34 3.534,35 3.457,36 5.438,37 3.443,38 4.162,39 4.331,40 3.516,41 3.376,42 5.456,43 3.393,44 4.085,45 4.244,46 3.479,47 3.252,48 5.502,49 3.274,50 3.95,51 4.108,52 3.294,53 3.129,54 5.295,55 3.144,56 0.156,57 0.544,58 5.525,59 3.054,60 12.4,61 2.993,62 0.436,63 0.849,64 10.169,65 5.092,66 21.973,67 5.179,68 0.446,69 0.957,70 13.799,71 5.775,72 37.247,73 6.259,74 0.456,75 0.901,76 15.461,77 5.968,78 38.741,79 7.18,80 0.418,81 0.835,82 14.562,83 4.971,84 34.23,85 6.227,86 0.402,87 0.751,88 11.762,89 4.201,90 35.259,91 4.55,92 0.516,93 0.651,94 11.364,95 4.114,96 46.073,97 4.726,98 0.454,99 0.56,100 10.018,101 3.578,102 42.212,103 3.855,104 5,105 38,106 0.3,107 0.656,108 0.762,109 0.857,110 0.88,111 0.88,112 3.228,113 0.805,114 -3.01,115 -3.01,116 -2.9,119 45.9,125 1,130 1,132 1,133 7,134 1,135 4,147 1,148 1,159 6,161 1,162 3,164 3,165 1,166 4,168 6,171 1,172 6,176 5,178 4,182 8,185 1,187 4,194 6,198 1,199 5,205 1,206 3,211 3,213 2,216 2,217 2,220 2,221 1,222 1,224 4,228 1,232 2,237 6,245 2,247 1,250 6,255 820,256 16.342,257 16.342,258 16.342,259 16.342,260 16.342,261 14.335,262 21.321,263 9.594,264 16.679,265 13.365,266 13.365,267 13.365,268 13.365,269 13.365,270 10.225,271 26.428,272 4.634,273 13.934,274 3.523,275 1.524,276 0.93,277 0.399,278 0.27,279 0.27,280 3.927,283 1,284 1,285 577,286 2.449,288 123.792,289 144.11,291 100.907,295 1.826,296 27.538,297 1,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53.5,307 259,308 4.372,309 3.667,310 6.22,311 3.968,312 3.003,313 3.975,314 1.392,315 9.369,316 2.901,317 4.239,318 3.305,319 6.148,320 3.849,321 2.899,322 3.716,323 1.305,324 9.109,325 2.748,326 4.011,327 2.939,328 5.524,329 3.588,330 2.616,331 3.587,332 0.964,333 7.474,334 2.537,335 3.637,336 2.659,337 5.248,338 3.251,339 2.288,340 2.943,341 0.532,342 6.661,343 2.199,344 3.456,345 2.455,346 5.028,347 3.083,348 2.121,349 2.728,350 0.268,351 5.968,352 2.023,353 3.202,354 2.228,355 4.74,356 2.698,357 1.744,358 2.361,360 5.135,361 1.652,362 2.887,363 1.992,364 4.369,365 2.477,366 1.534,367 2.024,369 4.214,370 1.439,371 2.78,372 1.85,373 4.128,374 2.273,375 1.291,376 1.715,378 3.529,379 1.255,380 2.5,381 1.619,382 3.448,383 2.071,384 1.079,385 1.5,386 2.434,387 1.068,388 2.194,389 1,390 3.414,391 2,392 1,393 1.17,394 2.275,395 1,396 1.699,397 0.796,398 3.09,399 1.415,400 0.478,401 0.563,402 1.165,403 0.443,404 1.47,405 0.646,406 2.933,407 1.098,408 0.17,409 0.203,411 0.413,412 0.157,413 1.231,414 0.506,415 2.842,416 0.855,417 -0.111,418 -0.138,420 -0.314,421 -0.107,422 0.862,423 0.024,424 2.288,425 0.461,426 -0.506,427 -0.597,429 -1.252,430 -0.471,431 0.713,432 -0.229,433 2,434 0.317,435 -0.668,436 -0.97,438 -1.736,439 -0.66,440 11.033,441 0.46,442 0.588,443 0.025,444 35,445 1.458,446 18.5,447 0.771,448 16.5,449 0.688,450 14.162,451 0.59,452 24.967,453 0.675,454 24.609,455 1.025,456 7.25,457 0.302,458 4.42,459 0.184,460 0.06,462 0.363,466 0.929,467 1.178,468 0.68,469 0.953,470 0.792,471 0.78,472 0.849,473 0.995,474 0.803,475 0.984,476 0.623,477 0.916,478 1.029,479 1.168,480 1.107,481 1.12,482 1.005,483 1.123,484 0.888,485 1.168,486 1.051,487 1.089,488 0.849,489 1.113,490 0.842,491 1.024,492 0.865,493 0.841,494 0.816,495 0.835,496 1.164,497 1.085,498 1.055,499 0.954,500 1.361,501 0.945,502 0.894,503 0.961,504 0.891,505 0.952,506 1.368,507 0.931,508 1.118,509 0.822,510 1.043,511 0.878,512 1.534,513 0.917,514 5.5,515 0.095,516 2.222,517 1.674,518 0.956,519 0.636,520 0.496,521 0.301,522 0.222,523 0.056,524 7305,525 23212,526 2.161,527 35.1,529 8,530 2,532 3,536 1.664,537 2.057,538 3.407,539 1.039,540 1,541 1,543 1,545 62.402,546 1.687,547 3.685,548 4.28,549 4.811,550 4.939,551 4.939,552 2.907,553 4.418,554 4.556,555 3.567,556 984.503,557 7.838,558 11773.2,559 1,560 1,562 1,563 192.75,564 1.281,565 4.532,566 0.204,567 0.007,568 0.058,569 0.051,570 0.035,571 0.024,572 0.019,573 0.013,574 0.011,575 0.004,576 0.426,577 0.5,578 1,579 0.49,580 115.44,581 -0.151,582 -0.082,583 0.012,584 0.002,585 -0.158,586 0.049,587 0.084,588 0.064,589 -0.02,590 -0.031,591 0.037,592 -0.065,593 -0.153,594 -0.139,595 -0.216,596 -0.172,597 -0.089,598 -0.2,599 -0.067,600 -0.198,601 -0.061,602 -0.111,603 -0.054,604 -0.096,605 -0.049,606 0.001,607 0.147,608 0.107,609 0.021,610 0.175,611 -0.186,612 -0.031,613 -0.107,614 -0.037,615 -0.153,616 -0.035,617 0.237,618 0.032,619 0.108,620 -0.01,621 0.083,623 0.054,624 0.163,625 -0.043,626 0.068,627 -0.123,628 0.01,629 1.964,630 5.037,631 0.833,632 21.097,633 1.028,634 1.119,635 1.777,636 3.158,637 0.693,638 3.332,639 3.664,640 3.912,641 4.174,642 4.331,643 4.357,644 4.511,645 4.635,646 4.673,647 4.762,648 6.359,649 0.691,650 323.33,651 3.332,652 4.875,653 5.72,654 6.594,655 7.453,656 8.328,657 9.192,658 10.067,659 10.935,660 11.81,661 8.1,666 1,668 1,670 1,675 7,680 5,682 12,692 1,696 1,697 2,699 37,700 15,701 2,702 27,704 40,705 17,706 12,707 5,708 7,709 4,710 4,711 5,714 1,721 16,722 1,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 13,737 7,738 3,739 7,743 3,747 0.75,748 4,759 2,760 2,762 1,766 1,770 2,777 3,785 24,788 1,789 1,790 2,791 2,801 10.8,803 1,804 1,806 2,808 11.667,809 6.567,810 5.139,811 1.983,812 3.137,813 1.427,814 0.999,815 3.781,816 10.477,817 3.611,818 4.205,819 4.741,820 5.279,821 5.778,822 5.965,823 6.353,824 6.758,825 7.061,826 7.348,827 1,828 33,829 8.817,831 3.834,832 7.951,833 16.368,835 13.341,837 2.451,838 58.833,842 117.711,843 108.25,844 52.807,846 89.828,849 108.25,850 207.539,851 52.807,853 24.661,854 75.81,855 93.3,856 55.214,857 25.441,858 94.169,860 117.711,861 161.057,862 89.828,865 117.711,866 89.828,869 41.447,870 89.367,871 30.244,873 117.711,874 142.635,875 108.25,878 117.711,879 32.44,880 75.81,881 36.022,882 106.614,883 117.711,884 142.635,885 108.25,887 0.587,888 0.334,889 0.178,890 0.093,891 20,892 8,893 0.075,894 3,895 1,896 1.1,897 3.786,898 194.573,899 0.1,900 20,901 106.039,904 14.9,905 6.09,906 3.194,908 142.635,909 11.873,914 2.997,916 78.705,917 368.596,918 36,922 12.037,923 1.669,924 4.247,925 0.321,926 38.033,927 41.409,928 0.324,929 0.707,930 0.821,931 0.923,932 0.948,933 0.948,934 4.852,935 1.291,936 5.7,937 4.214,938 4.344,939 4.89,940 2.349,941 6.475,942 4.264,943 6.06,944 1.079,945 7.233,946 3.529,947 3.892,948 4.649,949 0.623,950 7.235,951 3.762,952 7.365,953 1,954 8.856,955 2.434,956 5.911,957 7.037,958 2.69,959 10.3,960 5.751,961 8.701,962 0.478,963 10.53,964 2.275,965 6.256,966 7.556,967 1.178,968 11.866,969 6.04,970 10.064,971 0.17,972 12.237,973 1.165,974 7.734,975 9.43,976 3.17,977 14.415,978 7.495,979 11.445,980 -0.111,981 13.966,982 0.413,983 8.453,984 10.312,985 1.72,986 16.336,987 8.158,988 12.841,989 -0.506,990 15.712,991 -0.314,992 9.704,993 11.951,994 3.717,995 18.689,996 9.384,997 3.003,998 -0.668,999 17.471,1000 -1.252,1001 10.606,1002 13.03,1003 2.269,1004 20.774,1005 10.233,1006 2.899,1007 9.369,1008 19.239,1009 -1.736,1010 11.756,1011 14.545,1012 4.301,1013 23.048,1014 11.355,1015 2.616,1016 9.109,1017 21.017,1018 3.975,1019 12.749,1020 15.736,1021 2.823,1022 25.207,1023 12.297,1024 2.288,1025 7.474,1026 22.8,1027 3.716,1028 13.856,1029 17.182,1030 4.908,1031 27.451,1032 13.373,1033 2.121,1034 6.661,1035 24.59,1036 3.587,1037 14.893,1038 18.44,1039 3.377,1040 29.645,1041 14.364,1042 1.744,1043 5.968,1044 26.385,1045 2.943,1046 15.983,1047 19.848,1048 5.53,1049 31.876,1050 15.42,1051 1.534,1052 5.135,1053 28.183,1054 2.728,1055 17.042,1056 21.146,1057 3.928,1058 34.087,1059 16.436,1060 6783,1061 12217,1062 18.493,1063 25.642,1064 40.892,1065 42.082,1066 41.079,1067 40.431,1068 40.445,1069 52.973,1070 8.921,1071 115.493,1072 38.843,1073 5.272,1074 5.667,1075 5.731,1076 5.015,1077 5.003,1078 6.975,1079 2.783,1080 15.712,1081 4.901,1082 8.886,1083 1.515,1084 1.559,1085 1.521,1086 1.497,1087 1.498,1088 1.962,1089 0.33,1090 4.278,1091 1.439,1092 4.003,1093 4.026,1094 3.964,1095 3.902,1096 7.43,1097 3.912,1098 3.904,1099 3.927,1100 3.852,1101 3.817,1102 6.471,1103 3.819,1104 3.747,1105 3.777,1106 3.714,1107 3.552,1108 5.014,1109 3.59,1110 3.318,1111 3.348,1112 3.23,1113 3.069,1114 4.81,1115 3.106,1116 3.103,1117 3.147,1118 3.028,1119 2.876,1120 4.576,1121 2.903,1122 2.914,1123 2.965,1124 2.799,1125 2.746,1126 4.337,1127 2.753,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.986,1133 2.715,1134 2.733,1135 2.798,1136 2.657,1137 2.555,1138 3.774,1139 2.554,1140 0.162,1141 0.136,1142 0.23,1143 0.147,1144 0.111,1145 4.372,1146 0.147,1147 3.667,1148 0.052,1149 6.22,1150 0.347,1151 3.968,1152 0.107,1153 3.003,1154 3.975,1155 1.392,1156 9.369,1157 2.901,1158 1.893,1159 1.876,1160 1.985,1161 1.992,1162 1.098,1163 1.991,1164 1.875,1165 1.85,1166 1.973,1167 1.967,1168 1.051,1169 1.968,1170 1.436,1171 1.419,1172 1.514,1173 1.621,1174 0.591,1175 1.574,1176 1.295,1177 1.228,1178 1.434,1179 1.598,1180 0.566,1181 1.559,1182 1.156,1183 1.124,1184 1.406,1185 1.516,1186 0.359,1187 1.482,1188 0.886,1189 0.837,1190 1.181,1191 1.159,1192 0.218,1193 1.125,1194 0.867,1195 0.821,1196 1.088,1197 1.062,1198 0.155,1199 1.107,1200 0.794,1201 0.741,1202 1.043,1203 0.989,1204 0.039,1205 1.02,1206 4.007,1208 5.333,1209 3.045,1210 6.83,1211 5.352,1212 8.404,1213 7.38,1214 10.018,1221 9.276,1222 0.203,1223 5.63,1224 10.578,1231 25.557,1232 62.402,1233 136.343,1234 158.343,1235 177.995,1236 182.75,1237 182.75,1238 32.947,1239 7.34,1240 96.47,1241 96.47,1242 22,1243 12.351,1244 4,1245 3.322,1246 34.054,1247 91,1248 93,1249 0.181,1250 154.288,1251 275.82,1252 368.223,1253 15768,1255 16.518,1256 0.688,1257 0.519,1258 16.518,1259 12.445,1260 11.67,1261 0.432,1262 0.268,1263 7.103,1264 11.097,1265 7.008,1266 5.779,1267 11.67,1268 7.247,1269 10.802,1270 0.284,1271 0.138,1272 10.802,1273 5.229,1274 8.982,1275 0.183,1276 0.072,1277 8.982,1278 3.527,1279 7.474,1280 0.117,1281 0.037,1282 7.474,1283 2.37,1284 5.825,1285 0.078,1286 0.02,1287 5.825,1288 1.489,1289 0.287,1290 74.215,1291 0.233,1292 23.753,1293 0.484,1294 130,1295 445.667,1296 147.953,1297 421.174,1298 573.71,1299 394,1300 152,1301 423.9,1302 169.318,1303 425.304,1304 622.86,1305 399,1306 7.018} {0 CHEMBL1836358,1 1.648,2 5,3 2.334,4 5.447,5 59.008,6 9.584,7 0.938,8 3.213,9 3.312,10 3.081,11 2.934,12 4.426,13 2.884,14 3.641,15 3.757,16 3.5,17 3.343,18 4.825,19 3.259,20 3.76,21 3.901,22 3.562,23 3.354,24 4.886,25 3.257,26 3.68,27 3.842,28 3.177,29 3.18,30 4.793,31 3.043,32 3.439,33 3.658,34 2.542,35 2.73,36 4.489,37 2.609,38 3.109,39 3.35,40 2.08,41 2.266,42 4.253,43 2.167,44 2.794,45 3.145,46 0.662,47 1.63,48 3.497,49 1.334,50 1.693,51 2.115,52 0.035,53 0.545,54 1.792,55 0.298,56 0.029,57 0.332,58 2.743,59 1.602,60 5.632,61 1.608,62 0.083,63 0.529,64 5.09,65 2.823,66 9.084,67 2.993,68 0.083,69 0.613,70 8.988,71 3.638,72 7.142,73 3.676,74 0.084,75 0.555,76 10.535,77 4.03,78 9.796,79 3.892,80 0.073,81 0.415,82 7.52,83 2.818,84 8.842,85 2.979,86 0.063,87 0.3,88 3.605,89 1.517,90 10.09,91 1.652,92 0.068,93 0.199,94 4.976,95 1.677,96 9.947,97 2.111,98 0.021,99 0.051,100 2.548,101 0.761,102 2.963,103 1.083,104 2,105 23,106 0.334,107 0.643,108 0.775,109 0.852,110 0.871,111 0.871,112 2.739,113 0.948,114 -3.3,115 -3.29,116 -3.15,119 47.6,133 4,134 1,137 1,138 1,139 1,143 2,152 1,153 1,154 1,159 4,161 1,162 1,163 1,164 1,168 6,172 3,176 1,178 4,180 1,182 3,184 1,185 1,187 1,190 1,192 1,194 3,199 2,204 2,206 2,211 2,215 2,255 128,256 9.707,257 9.707,258 9.707,259 9.707,260 9.707,261 7.972,262 3.162,263 5.704,264 10.013,265 7.91,266 7.91,267 7.91,268 7.91,269 7.91,270 5.353,271 2.5,272 2.695,273 8.449,274 2.744,275 1.22,276 0.571,277 0.19,278 0.095,279 0.095,280 3.411,284 1,285 155,286 1.581,288 15.39,289 44.908,291 63.477,295 0.714,296 8.314,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 29.5,307 70,308 4.738,309 3.258,310 6.843,311 4.187,312 3.247,313 4.838,315 11.378,316 3.05,317 3.956,318 2.549,319 5.906,320 3.451,321 2.5,322 3.623,324 8.034,325 2.366,326 3.379,327 1.926,328 5.111,329 2.831,330 1.902,331 2.795,333 5.782,334 1.763,335 3.057,336 1.584,337 4.349,338 2.491,339 1.571,340 2.326,342 3.955,343 1.428,344 2.822,345 1.325,346 3.811,347 2.253,348 1.323,349 1.983,351 3.054,352 1.219,353 2.649,354 1.2,355 3.598,356 2.139,357 1.176,358 1.719,360 2.812,361 1.127,362 1.955,363 0.531,364 3.089,365 1.373,366 0.492,367 0.709,369 1.19,370 0.424,371 1.09,372 -0.199,373 2.416,374 0.608,375 -0.301,376 -0.402,378 -0.687,379 -0.271,380 0.799,381 -0.701,382 2.281,383 0.242,384 -0.701,385 -1.051,386 -1.78,387 -0.641,388 0.587,389 -0.867,390 2,391 0.07,392 -0.889,393 -1.298,394 -2.21,395 -0.849,396 0.313,397 -1.157,398 2,399 -0.238,400 -1.176,401 -1.719,402 -3.298,403 -1.103,404 -0.059,405 -1.289,406 1.451,407 -0.451,408 -1.377,409 -1.89,411 -3.576,412 -1.274,413 -0.371,414 -1.862,415 1.259,416 -0.88,417 -1.865,418 -2.79,420 -5.268,421 -1.53,422 -0.416,423 -1.898,424 1.096,425 -1,426 -1.902,427 -2.844,429 -5.893,430 -1.808,431 -0.5,432 -2,433 0.473,434 -1.071,435 -2,436 -3,438 -6.21,439 -1.902,440 7.033,441 0.502,442 0.312,443 0.022,444 21.75,445 1.554,446 12.5,447 0.893,448 9.25,449 0.661,450 7.502,451 0.536,452 13.367,453 0.637,454 11.042,455 0.789,456 4.11,457 0.294,458 2.75,459 0.196,460 0.057,462 0.355,466 1.04,467 0.899,468 0.675,469 0.642,470 1.195,471 0.629,472 0.672,473 0.698,474 0.775,475 0.71,476 0.634,477 0.709,478 0.796,479 1.205,480 1.004,481 1.161,482 0.799,483 0.927,484 0.951,485 1.201,486 1.554,487 1.476,488 0.894,489 1.273,490 1.252,491 1.174,492 1.194,493 1.204,494 0.937,495 1.284,496 1.693,497 1.19,498 0.867,499 0.923,500 1.867,501 1.33,502 1.251,503 0.556,504 0.77,505 0.655,506 1.604,507 1.074,514 2,516 1.778,517 1.326,518 0.671,519 0.181,520 0.08,524 1290,525 3793,526 2.2,527 33.3,529 4,531 1,532 2,536 1.515,537 2.1,538 2.447,539 0.547,543 1,545 34.613,546 1.648,547 3.173,548 3.821,549 4.202,550 4.297,551 4.297,552 1.577,553 3.522,554 3.786,555 2.439,556 221.921,557 6.335,558 1691.56,560 1,563 92.239,564 1.264,565 3.757,566 0.125,568 0.077,569 0.06,570 0.042,571 0.02,572 0.016,576 0.341,577 0.83,578 1,579 0.544,580 50.769,581 -0.205,582 0.079,583 0.029,584 0.141,585 -0.3,586 0.108,587 0.166,588 0.285,589 0.085,590 0.185,591 0.074,592 0.098,593 0.093,594 -0.233,595 0.098,596 -0.114,597 0.01,598 -0.018,599 -0.036,600 -0.228,601 -0.368,602 -0.368,603 0.042,604 -0.314,605 -0.238,606 -0.25,607 -0.301,608 -0.297,609 0.015,610 -0.287,611 -0.43,612 -0.224,613 -0.242,614 -0.222,615 -0.425,616 -0.409,617 -0.144,618 0.287,619 0.19,620 0.327,621 -0.298,622 0.26,623 0.85,624 0.662,625 1.357,626 1.319,627 0.998,628 1.846,629 1.101,630 1.779,631 0.929,632 5.735,633 1.007,634 1.107,635 2.07,636 4.285,637 0.771,638 2.833,639 3.178,640 3.526,641 3.85,642 4.078,643 4.094,644 4.143,645 4.19,646 3.85,647 3.611,648 3.26,649 0.729,650 201.27,651 2.833,652 4.369,653 5.252,654 6.155,655 7.059,656 7.969,657 8.879,658 9.792,659 10.704,660 11.617,661 14.3,665 1,671 2,674 4,675 5,676 2,679 1,680 1,682 15,691 1,699 21,700 15,701 1,702 16,704 23,705 10,706 10,707 2,708 4,710 3,711 6,721 10,733 1,736 7,737 3,738 2,739 4,740 1,743 3,747 0.333,755 1,759 1,760 2,762 2,777 1,779 1,785 14,786 1,797 1,808 6.667,809 3.817,810 3.028,811 1.15,812 3.25,813 1.521,814 1.096,815 1.598,816 9.492,817 3.199,818 3.937,819 4.691,820 5.426,821 6.055,822 6.46,823 6.922,824 7.371,825 7.403,826 7.582,827 0.5,828 22,829 5.118,830 0.002,831 2.21,832 7.655,833 9.802,834 0.001,835 8.238,837 2.155,838 30.167,839 0.006,842 58.856,843 86.338,844 66.468,848 31.278,849 55.06,850 58.856,851 66.468,854 70.802,855 45.342,856 13.336,857 3.82,858 78.362,860 58.856,861 121.528,863 31.278,865 58.856,869 10.763,870 77.195,871 33.571,872 31.278,873 58.856,874 66.468,875 86.338,878 58.856,879 39.814,880 46.524,882 66.468,883 58.856,884 66.468,885 86.338,887 0.584,888 0.359,889 0.21,890 0.117,891 14,892 5,895 2,896 1.308,897 2.654,898 97.563,899 0.308,900 13,901 53.303,902 1,904 7.975,905 2.806,906 1.086,907 4.295,908 66.468,909 9.659,910 8.229,913 1.638,914 0.566,916 32.897,917 211.662,918 23.5,926 21.149,927 23.245,928 0.375,929 0.722,930 0.87,931 0.957,932 0.978,933 0.978,934 4.404,935 -0.301,936 5.242,937 1.19,938 3.85,939 4.62,941 6.107,942 3.72,943 5.658,944 -0.701,945 6.828,946 -0.687,947 3.434,948 4.559,950 7.111,951 3.245,952 7,953 -0.889,954 8.521,955 -1.78,956 5.476,957 7.047,959 10.276,960 5.229,961 8.39,962 -1.176,963 10.28,964 -2.21,965 5.943,966 7.892,968 12.155,969 5.622,970 9.818,971 -1.377,972 12.08,973 -3.298,974 7.447,975 9.817,977 14.829,978 7.083,979 11.274,980 -1.865,981 13.908,982 -3.576,983 8.319,984 11.079,986 17.045,987 7.877,988 12.752,989 -1.902,990 15.756,991 -5.268,992 9.613,993 12.783,995 19.558,996 9.124,997 3.247,998 -2,999 17.619,1000 -5.893,1001 10.662,1002 14.228,1004 21.905,1005 10.097,1006 2.5,1007 11.378,1008 19.493,1009 -6.21,1010 11.876,1011 15.848,1013 24.363,1014 11.26,1015 1.902,1016 8.034,1017 21.376,1018 4.838,1019 12.999,1020 17.37,1022 26.761,1023 12.311,1024 1.571,1025 5.782,1026 23.266,1027 3.623,1028 14.186,1029 18.96,1031 29.201,1032 13.441,1033 1.323,1034 3.955,1035 25.161,1036 2.795,1037 15.339,1038 20.514,1040 31.619,1041 14.527,1042 1.176,1043 3.054,1044 27.061,1045 2.326,1046 16.517,1047 22.093,1049 34.053,1050 15.646,1051 0.492,1052 2.812,1053 28.964,1054 1.983,1055 17.684,1056 23.66,1058 36.479,1059 16.747,1060 1272,1061 2265,1062 11.038,1063 16.188,1064 24.551,1065 24.396,1066 25.163,1067 24.412,1068 24.421,1069 35.988,1071 72.41,1072 22.757,1073 5.238,1074 5.258,1075 6.524,1076 5.291,1077 5.247,1078 7.838,1080 18.662,1081 5.05,1082 3.955,1083 1.534,1084 1.525,1085 1.573,1086 1.526,1087 1.526,1088 2.249,1090 4.526,1091 1.422,1092 4.153,1093 4.164,1094 4.395,1095 4.163,1096 5.229,1097 4.117,1098 3.649,1099 3.701,1100 3.59,1101 3.522,1102 4.853,1103 3.528,1104 3.068,1105 3.143,1106 3.343,1107 3.016,1108 4.59,1109 2.952,1110 3.023,1111 3.082,1112 2.938,1113 2.847,1114 3.972,1115 2.849,1116 2.837,1117 2.914,1118 2.695,1119 2.618,1120 3.758,1121 2.63,1122 2.297,1123 2.382,1124 2.273,1125 2.111,1126 3.51,1127 2.094,1128 2.142,1129 2.232,1130 2.089,1131 1.965,1132 3.012,1133 1.905,1134 1.661,1135 1.769,1136 1.729,1137 1.505,1138 2.333,1139 1.425,1140 0.296,1141 0.204,1142 0.428,1143 0.262,1144 0.203,1145 4.738,1146 0.302,1147 3.258,1149 6.843,1150 0.711,1151 4.187,1152 0.191,1153 3.247,1154 4.838,1156 11.378,1157 3.05,1158 1.942,1159 1.921,1160 2.019,1161 2.026,1162 1.151,1163 2.022,1164 1.752,1165 1.734,1166 1.751,1167 1.865,1168 0.885,1169 1.871,1170 1.023,1171 0.999,1172 1.218,1173 1.287,1174 0.283,1175 1.276,1176 0.966,1177 0.906,1178 1.139,1179 1.095,1180 0.191,1181 1.143,1182 0.775,1183 0.685,1184 1.017,1185 0.984,1187 1.024,1188 0.605,1189 0.527,1190 0.765,1191 0.764,1193 0.83,1196 0.324,1197 0.324,1199 0.318,1202 0.297,1203 0.046,1205 0.147,1206 3.497,1208 4.828,1209 2.398,1210 6.382,1211 4.844,1212 8.034,1213 7.066,1214 9.735,1220 5.779,1231 15.305,1232 34.613,1233 66.629,1234 80.239,1235 88.239,1236 90.239,1237 90.239,1238 12.04,1239 6.242,1240 51.8,1241 80.04,1242 17,1243 12.13,1244 4,1245 3.087,1246 18.019,1247 29,1248 19,1249 0.355,1250 98.463,1251 147.45,1252 232.01,1253 3352,1255 9.544,1256 0.682,1257 0.577,1258 9.897,1259 8.083,1260 6.86,1261 0.429,1262 0.316,1263 4.268,1264 6.253,1265 4.108,1266 3.396,1267 7.268,1268 5.054,1269 6.18,1270 0.269,1271 0.178,1272 6.796,1273 4.087,1274 5.57,1275 0.169,1276 0.102,1277 6.464,1278 3.368,1279 4.907,1280 0.107,1281 0.056,1282 5.855,1283 2.599,1284 4.077,1285 0.07,1286 0.031,1287 4.956,1288 1.789,1289 0.502,1290 46.44,1291 0.301,1292 13.6,1293 1.146,1294 78,1295 211.463,1296 108.202,1297 233.937,1298 330.47,1299 220,1300 95,1301 237.518,1302 125.551,1303 259.581,1304 384.73,1305 245,1306 5.292} {0 CHEMBL1910190,1 1.445,2 10.583,3 3.913,4 15.308,5 92.569,6 8.415,7 0.815,8 3.734,9 3.828,10 3.411,11 3.407,12 4.997,13 3.394,14 4.169,15 4.281,16 3.76,17 3.796,18 5.357,19 3.766,20 4.422,21 4.578,22 3.78,23 3.897,24 5.589,25 3.834,26 4.462,27 4.673,28 3.64,29 3.802,30 5.581,31 3.717,32 4.338,33 4.563,34 3.528,35 3.658,36 5.422,37 3.579,38 4.14,39 4.325,40 3.433,41 3.576,42 5.229,43 3.504,44 4.138,45 4.344,46 3.381,47 3.498,48 5.288,49 3.426,50 4.033,51 4.242,52 3.22,53 3.356,54 5.267,55 3.279,56 0.031,57 0.476,58 5.474,59 2.843,60 10.218,61 3.221,62 0.023,63 0.747,64 8.772,65 4.592,66 9.131,67 5.468,68 0.074,69 0.972,70 13.469,71 6.432,72 20.977,73 7.79,74 0.155,75 1.072,76 16.678,77 6.969,78 32.189,79 8.822,80 0.185,81 0.942,82 15.775,83 6.308,84 34.725,85 8.159,86 0.082,87 0.752,88 11.161,89 4.929,90 17.267,91 6.151,92 0.074,93 0.762,94 11.882,95 5.037,96 18.188,97 6.445,98 0.194,99 0.688,100 11.27,101 4.506,102 36.418,103 5.557,104 6,105 38,106 0.252,107 0.563,108 0.737,109 0.862,110 0.872,111 0.872,112 3.229,113 0.834,114 -3.58,115 -3.55,116 -3.39,119 54.1,133 9,134 5,135 1,136 2,143 2,147 1,159 12,162 3,166 6,168 14,172 4,176 5,178 13,182 5,185 1,187 2,190 10,194 4,198 1,199 1,202 8,206 4,211 3,213 7,217 2,222 3,224 7,228 1,229 1,232 1,234 2,237 8,247 1,250 7,255 790,256 16.558,257 16.558,258 16.558,259 16.558,260 16.558,261 13.983,262 5.481,263 9.668,264 16.717,265 13.291,266 13.291,267 13.291,268 13.291,269 13.291,270 9.324,271 3.507,272 4.551,273 13.57,274 3.765,275 1.982,276 0.987,277 0.27,278 0.216,279 0.216,280 3.93,283 1,284 1,285 561,286 2.236,288 47.135,289 209.508,291 92.805,295 1.667,296 17.445,297 1,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 50.5,307 254,308 4.534,309 4.057,310 6.403,311 4.073,312 3.093,313 4.467,314 2.035,315 9.998,316 3.032,317 4.287,318 3.103,319 6.171,320 3.876,321 2.883,322 3.963,324 9.18,325 2.862,326 4.023,327 2.889,328 5.874,329 3.569,330 2.581,331 3.58,333 8.15,334 2.55,335 3.813,336 2.627,337 5.296,338 3.348,339 2.359,340 3.195,342 6.763,343 2.333,344 3.517,345 2.394,346 4.965,347 3.057,348 2.101,349 2.888,351 5.838,352 1.999,353 3.209,354 2.247,355 4.517,356 2.608,357 1.638,358 2.392,360 4.528,361 1.588,362 3.029,363 1.648,364 4.396,365 2.503,366 1.519,367 2.264,369 4.258,370 1.492,371 2.918,372 1.52,373 4.074,374 2.137,375 1.17,376 1.748,378 3.233,379 1.129,380 2.584,381 1.17,382 3.472,383 2,384 1.03,385 1.539,386 2.467,387 1,388 2.525,389 1.037,390 3.414,391 1.98,392 1,393 1.5,394 2.275,395 0.976,396 2.5,397 1,398 3.159,399 1.44,400 0.491,401 0.958,402 1.178,403 0.464,404 1.945,405 0.538,406 2.802,407 1.432,408 0.469,409 0.685,411 0.755,412 0.45,413 1.098,414 0.125,415 2.555,416 0.569,417 -0.386,418 -0.51,420 -0.822,421 -0.362,422 0.968,423 -0.123,424 2.353,425 0.535,426 -0.421,427 -0.613,429 -1.029,430 -0.402,431 0.751,432 -0.585,433 2.34,434 0.285,435 -0.668,436 -0.908,438 -1.682,439 -0.636,440 11.533,441 0.481,442 0.533,443 0.022,444 38.5,445 1.604,446 23.5,447 0.979,448 15,449 0.625,450 13.446,451 0.56,452 22.667,453 0.613,454 25.87,455 1.078,456 7.606,457 0.317,458 4.119,459 0.172,460 0.064,462 0.347,466 0.925,467 0.904,468 0.706,469 0.755,470 0.725,471 0.714,472 0.71,473 1.021,474 0.809,475 0.954,476 0.492,477 0.904,478 0.93,479 1.164,480 1.066,481 1.154,482 0.749,483 1.138,484 0.916,485 1.012,486 1.086,487 1.05,488 0.877,489 1.077,490 0.87,491 0.906,492 0.935,493 0.875,494 0.848,495 0.9,496 0.872,497 1.02,498 1.025,499 1.011,500 0.625,501 1.029,502 0.852,503 1.099,504 0.972,505 1.051,506 0.65,507 1.025,508 1.134,509 0.775,510 1.091,511 0.892,512 1.281,513 0.969,514 5,515 0.101,516 2.667,517 1.229,518 1.183,519 0.789,520 0.363,521 0.284,522 0.222,523 0.107,524 6776,525 19652,526 2.161,527 35.1,529 9,531 2,532 2,536 1.667,537 2.057,538 3.391,539 0.214,541 1,545 53.451,546 1.445,547 3.227,548 4.222,549 4.939,550 4.993,551 4.993,552 2.907,553 4.22,554 4.554,555 3.49,556 963.141,557 7.849,558 11201.1,560 1,561 1,562 1,563 192.75,564 1.281,565 4.532,566 0.185,567 0.008,568 0.07,569 0.033,570 0.038,571 0.028,572 0.014,573 0.012,574 0.011,575 0.007,576 0.407,577 0.5,578 1,579 0.681,580 114.186,581 -0.12,582 0.048,583 0.007,584 0.099,585 -0.075,586 0.074,587 -0.05,588 -0.077,589 -0.065,590 -0.08,592 -0.074,593 -0.093,594 -0.227,595 -0.189,596 -0.217,597 -0.048,598 -0.22,599 -0.039,600 -0.016,601 -0.078,602 -0.066,603 -0.063,604 -0.074,605 0.062,606 0.093,607 0.122,608 0.135,609 -0.019,610 0.138,611 -0.093,612 -0.051,613 -0.088,614 -0.049,615 -0.047,616 -0.063,617 -0.016,618 -0.114,619 0.027,620 -0.068,621 0.066,622 -0.022,623 0.059,624 0.226,625 -0.047,626 0.105,627 -0.041,628 0.032,629 1.419,630 3.596,631 0.875,632 20.569,633 1.001,634 1.102,635 2.349,636 5.517,637 0.737,638 3.332,639 3.664,640 3.951,641 4.22,642 4.477,643 4.564,644 4.7,645 4.82,646 4.883,647 4.963,648 6.015,649 0.714,650 311.36,651 3.332,652 4.875,653 5.733,654 6.613,655 7.488,656 8.373,657 9.255,658 10.142,659 11.027,660 11.916,661 8.1,669 1,670 1,671 1,674 2,675 11,676 1,677 1,680 6,682 22,683 1,696 1,699 37,700 23,701 2,702 27,704 40,705 20,706 19,707 5,708 7,710 4,711 5,720 1,721 19,733 1,736 13,737 3,738 2,739 4,743 3,747 0.75,748 1,754 1,756 1,759 1,760 3,762 1,777 3,785 24,788 1,796 1,798 1,799 1,801 2.7,803 1,808 11.667,809 6.767,810 5.25,811 2.108,812 4.463,813 1.597,814 1.029,815 3.44,816 11.944,817 3.714,818 4.36,819 5.03,820 5.664,821 6.259,822 6.639,823 7.136,824 7.578,825 7.938,826 8.368,827 1,828 37,829 8.776,831 3.777,832 7.806,833 16.634,835 13.829,837 2.306,838 55.333,842 129.482,843 140.199,844 64.63,846 42.683,849 140.199,850 172.165,851 64.63,854 85.286,855 99.613,856 81.255,857 4.901,858 105.94,860 129.482,861 204.829,862 42.683,865 129.482,866 42.683,869 65.94,870 122.104,871 16.786,873 129.482,874 107.314,875 140.199,878 129.482,879 20.216,880 103.381,881 33.387,882 90.528,883 129.482,884 107.314,885 140.199,887 0.582,888 0.343,889 0.183,890 0.104,891 20,892 8,893 0.05,894 2,895 1,896 1.095,897 3.7,898 199.707,899 0.095,900 21,901 106.039,904 14.352,905 5.752,906 2.738,907 1.917,908 90.528,909 20.338,910 4.333,911 3.342,914 4.789,916 59.469,917 376.995,918 40,926 37.051,927 40.78,928 0.277,929 0.62,930 0.81,931 0.948,932 0.958,933 0.958,934 4.938,935 1.17,936 5.714,937 4.258,938 4.344,939 5.047,940 2.228,941 6.515,942 4.305,943 6.176,944 1.03,945 7.263,946 3.233,947 3.892,948 4.808,950 7.357,951 3.842,952 7.491,953 1,954 8.907,955 2.467,956 5.932,957 7.327,958 3.563,959 10.434,960 5.865,961 8.841,962 0.491,963 10.605,964 2.275,965 6.293,966 7.935,968 12.088,969 6.214,970 10.22,971 0.469,972 12.338,973 1.178,974 7.788,975 9.877,976 4.962,977 14.66,978 7.694,979 11.619,980 -0.386,981 14.094,982 0.755,983 8.528,984 10.902,986 16.655,987 8.42,988 13.035,989 -0.421,990 15.867,991 -0.822,992 9.793,993 12.587,994 6.378,995 19.042,996 9.672,997 3.093,998 -0.668,999 17.653,1000 -1.029,1001 10.719,1002 13.831,1004 21.19,1005 10.581,1006 2.883,1007 9.998,1008 19.448,1009 -1.682,1010 11.886,1011 15.398,1012 7.797,1013 23.507,1014 11.733,1015 2.581,1016 9.18,1017 21.251,1018 4.467,1019 12.904,1020 16.757,1022 25.724,1023 12.733,1024 2.359,1025 8.15,1026 23.06,1027 3.963,1028 14.031,1029 18.271,1030 9.217,1031 28.015,1032 13.844,1033 2.101,1034 6.763,1035 24.874,1036 3.58,1037 15.094,1038 19.69,1040 30.265,1041 14.888,1042 1.638,1043 5.838,1044 26.692,1045 3.195,1046 16.206,1047 21.183,1048 10.638,1049 32.549,1050 15.983,1051 1.519,1052 4.528,1053 28.514,1054 2.888,1055 17.292,1056 22.633,1058 34.816,1059 17.049,1060 6383,1061 10956,1062 18.493,1063 27.279,1064 42.211,1065 43.471,1066 41.555,1067 40.67,1068 40.664,1069 58.359,1070 4.069,1071 117.248,1072 39.75,1073 5.228,1074 6.057,1075 5.956,1076 5.112,1077 5.093,1078 7.467,1079 4.069,1080 16.718,1081 5.032,1082 9.195,1083 1.563,1084 1.61,1085 1.539,1086 1.506,1087 1.506,1088 2.161,1089 0.151,1090 4.343,1091 1.472,1092 4.145,1093 4.176,1094 4.109,1095 4.063,1096 6.82,1097 4.071,1098 3.963,1099 3.989,1100 3.918,1101 3.91,1102 6.471,1103 3.908,1104 3.734,1105 3.768,1106 3.685,1107 3.65,1108 4.995,1109 3.654,1110 3.389,1111 3.427,1112 3.325,1113 3.251,1114 4.818,1115 3.262,1116 3.157,1117 3.206,1118 3.125,1119 3.008,1120 4.616,1121 3.029,1122 2.957,1123 3.015,1124 2.836,1125 2.817,1126 4.107,1127 2.815,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.774,1133 2.715,1134 2.758,1135 2.806,1136 2.671,1137 2.635,1138 3.737,1139 2.64,1140 0.168,1141 0.15,1142 0.237,1143 0.151,1144 0.115,1145 4.534,1146 0.165,1147 4.057,1148 0.075,1149 6.403,1150 0.37,1151 4.073,1152 0.112,1153 3.093,1154 4.467,1155 2.035,1156 9.998,1157 3.032,1158 1.981,1159 1.959,1160 2.062,1161 2.057,1162 1.171,1163 2.06,1164 1.919,1165 1.899,1166 2.002,1167 2.009,1168 1.124,1169 2.007,1170 1.771,1171 1.74,1172 1.864,1173 1.876,1174 0.943,1175 1.876,1176 1.387,1177 1.341,1178 1.516,1179 1.572,1180 0.58,1181 1.558,1182 1.081,1183 1.038,1184 1.192,1185 1.261,1186 0.252,1187 1.233,1188 1.011,1189 0.975,1190 1.181,1191 1.231,1192 0.218,1193 1.217,1194 0.886,1195 0.821,1196 1.169,1197 1.062,1198 0.183,1199 1.107,1200 0.796,1201 0.742,1202 1.045,1203 0.998,1204 0.049,1205 1.019,1206 4.007,1208 5.333,1209 2.398,1210 6.855,1211 4.727,1212 8.461,1213 6.843,1214 10.108,1221 9.596,1229 8.896,1230 2.121,1231 26.413,1232 53.451,1233 119.412,1234 156.22,1235 182.75,1236 184.75,1237 184.75,1238 30.772,1239 7.481,1240 72.7,1241 72.7,1242 23,1243 12.446,1244 4.585,1245 3.807,1246 33.963,1247 86,1248 96,1249 0.194,1250 162.294,1251 271.63,1252 387.757,1253 17896,1255 16.518,1256 0.688,1257 0.529,1258 16.518,1259 12.692,1260 11.725,1261 0.434,1262 0.278,1263 7.448,1264 11.477,1265 7.28,1266 6.041,1267 11.725,1268 7.505,1269 10.546,1270 0.278,1271 0.148,1272 10.546,1273 5.606,1274 9.17,1275 0.18,1276 0.078,1277 9.17,1278 4.001,1279 7.61,1280 0.114,1281 0.041,1282 7.61,1283 2.758,1284 6.334,1285 0.073,1286 0.022,1287 6.334,1288 1.894,1289 0.304,1290 72.187,1291 0.233,1292 23.445,1293 0.533,1294 130,1295 351.773,1296 136.239,1297 358.598,1298 495.64,1299 334,1300 154,1301 369.805,1302 160.324,1303 383.936,1304 553.71,1305 361,1306 5.481} {0 CHEMBL1910191,1 1.65,2 10.846,3 3.56,4 12.671,5 100.586,6 8.677,7 0.759,8 3.861,9 3.939,10 3.71,11 3.541,12 5.017,13 3.493,14 4.349,15 4.453,16 3.988,17 3.923,18 5.721,19 3.878,20 4.594,21 4.733,22 3.977,23 4.022,24 5.843,25 3.951,26 4.627,27 4.815,28 3.828,29 3.947,30 5.804,31 3.855,32 4.552,33 4.78,34 3.668,35 3.803,36 5.629,37 3.703,38 4.298,39 4.499,40 3.614,41 3.697,42 5.338,43 3.597,44 4.26,45 4.437,46 3.652,47 3.646,48 5.448,49 3.564,50 4.281,51 4.462,52 3.547,53 3.565,54 5.586,55 3.476,56 0.097,57 0.572,58 8.811,59 4.183,60 17.822,61 4.2,62 0.2,63 0.921,64 14.958,65 6.895,66 43.193,67 7.407,68 0.283,69 1.145,70 19.26,71 8.631,72 51.301,73 9.216,74 0.306,75 1.215,76 21.837,77 9.068,78 46.158,79 10.568,80 0.344,81 1.113,82 21.183,83 8.402,84 55.201,85 10.608,86 0.162,87 0.883,88 14.965,89 6.54,90 25.071,91 8.159,92 0.151,93 0.864,94 16.04,95 6.417,96 20.923,97 7.45,98 0.378,99 0.83,100 15.132,101 6.187,102 57.676,103 7.009,104 18,105 43,106 0.282,107 0.595,108 0.745,109 0.852,110 0.861,111 0.861,112 3.304,113 1.021,114 -3.53,115 -3.51,116 -3.35,119 47.6,123 1,133 9,134 4,135 2,136 2,143 2,159 10,161 1,162 2,166 6,168 12,172 6,176 5,178 12,182 7,185 1,187 2,190 9,194 5,198 1,199 1,202 7,206 4,211 3,213 6,217 3,222 3,224 7,228 2,229 2,232 1,234 1,237 7,247 1,250 6,255 942,256 17.16,257 17.16,258 17.16,259 17.16,260 17.16,261 14.375,262 5.309,263 9.8,264 17.553,265 14.338,266 14.338,267 14.338,268 14.338,269 14.338,270 10.07,271 3.647,272 4.68,273 15.026,274 3.743,275 1.907,276 1.031,277 0.399,278 0.351,279 0.351,280 3.998,283 1,284 1,285 615,286 3.162,288 53.321,289 235.804,291 104.717,295 1.781,296 29.856,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 56,307 282,308 4.802,309 5.18,310 7.111,311 4.184,312 3.315,313 4.662,314 2.95,315 11.659,316 3.032,317 4.534,318 3.103,319 6.403,320 4.069,321 3.091,322 4.467,324 9.997,325 2.896,326 4.255,327 2.892,328 6.165,329 3.843,330 2.855,331 3.921,333 9.162,334 2.762,335 3.914,336 2.666,337 5.871,338 3.516,339 2.532,340 3.437,342 8.134,343 2.487,344 3.549,345 2.537,346 4.966,347 3.078,348 2.124,349 2.992,351 5.849,352 2.018,353 3.346,354 2.282,355 4.74,356 2.839,357 1.863,358 2.685,360 5.208,361 1.809,362 3.04,363 1.703,364 4.45,365 2.526,366 1.541,367 2.303,369 4.337,370 1.516,371 2.959,372 1.523,373 4.391,374 2.431,375 1.473,376 2.158,378 4.161,379 1.406,380 2.582,381 1.24,382 4.056,383 2.058,384 1.083,385 1.615,386 3.138,387 1.052,388 2.525,389 1.038,390 3.471,391 2,392 1.028,393 1.537,394 2.458,395 1,396 2.5,397 1,398 3.414,399 1.977,400 1,401 1.5,402 2.275,403 0.973,404 1.945,405 0.731,406 3.159,407 1.432,408 0.469,409 0.685,411 1.178,412 0.45,413 1.054,414 0.538,415 2.826,416 0.616,417 -0.346,418 -0.46,420 -0.859,421 -0.327,422 1,423 -0.055,424 2.557,425 0.542,426 -0.402,427 -0.519,429 -1.035,430 -0.373,431 0.965,432 -0.123,433 2.364,434 0.286,435 -0.664,436 -0.89,438 -1.728,439 -0.627,440 12.633,441 0.486,442 0.86,443 0.033,444 39.75,445 1.529,446 23.5,447 0.904,448 16.25,449 0.625,450 16.614,451 0.639,452 26.367,453 0.628,454 29.066,455 1.118,456 7.685,457 0.296,458 4.713,459 0.181,460 0.119,461 0.066,462 0.317,466 0.629,467 1.018,468 0.813,469 1.01,470 0.755,471 0.794,472 0.67,473 1.075,474 0.997,475 1.06,476 0.555,477 0.894,478 1.153,479 1.122,480 1.087,481 1.052,482 1.122,483 1.1,484 0.928,485 1.056,486 1.01,487 1.027,488 0.87,489 1.109,490 0.794,491 0.891,492 0.723,493 0.751,494 0.788,495 0.903,496 0.587,497 0.964,498 0.752,499 0.837,500 0.468,501 0.937,502 0.745,503 1.165,504 1.016,505 1.138,506 0.605,507 1.035,508 1.109,509 0.884,510 0.943,511 0.862,512 1.215,513 1.026,514 7,515 0.127,516 3.556,517 1.729,518 1.263,519 0.969,520 0.527,521 0.378,522 0.305,523 0.218,524 8342,525 26268,526 2.092,527 38.1,529 12,531 2,532 2,536 1.688,537 1.938,538 3.417,539 0.251,541 1,545 69.284,546 1.65,547 3.485,548 4.362,549 4.993,550 5.041,551 5.041,552 2.921,553 3.69,554 4.672,555 3.587,556 1165.65,557 8.078,558 14515.7,559 1,560 1,562 1,563 226.477,564 1.619,565 4.616,566 0.241,567 0.008,568 0.083,569 0.042,570 0.036,571 0.032,572 0.019,573 0.013,574 0.013,575 0.011,576 0.499,577 0.5,578 1,579 0.777,580 127.639,581 0.024,582 0.026,583 0.175,584 0.035,585 -0.182,586 0.078,587 0.092,588 -0.059,589 -0.076,590 -0.074,591 0.205,592 -0.006,593 -0.197,594 -0.149,595 -0.228,596 -0.128,597 -0.144,598 -0.191,599 -0.089,600 -0.074,601 -0.149,602 -0.124,603 -0.065,604 -0.144,605 0.004,606 0.068,607 0.1,608 0.117,609 -0.045,610 0.115,611 -0.004,612 0.021,613 0.086,614 0.065,615 0.006,616 0.059,617 -0.006,618 -0.149,619 -0.019,620 -0.145,621 0.066,622 -0.059,623 0.036,624 0.096,625 -0.053,626 0.044,627 -0.065,628 -0.08,629 4.129,630 4.595,631 0.808,632 23.976,633 1.011,634 1.106,635 2.302,636 5.299,637 0.723,638 3.401,639 3.784,640 4.025,641 4.277,642 4.522,643 4.644,644 4.804,645 4.883,646 4.97,647 5.069,648 6.453,649 0.692,650 364.45,651 3.401,652 4.977,653 5.832,654 6.73,655 7.602,656 8.5,657 9.379,658 10.276,659 11.159,660 12.055,661 4.8,669 1,671 1,674 2,675 11,676 1,677 1,680 6,682 22,696 1,699 42,700 24,701 2,702 29,704 45,705 20,706 19,707 5,708 7,710 4,711 5,721 19,722 1,724 2,727 1,728 2,732 1,733 1,736 16,737 4,738 2,739 6,740 1,743 2,747 0.75,748 3,754 1,756 1,759 1,760 3,762 1,777 3,779 1,781 1,785 26,787 1,788 1,801 7.1,803 1,804 2,808 13.417,809 7.817,810 5.417,811 2.26,812 4.458,813 1.582,814 1.027,815 3.967,816 12.112,817 3.761,818 4.48,819 5.068,820 5.695,821 6.284,822 6.682,823 7.19,824 7.609,825 7.981,826 8.419,827 1,828 41,829 9.731,831 4.427,832 7.952,833 18.101,835 15.418,837 2.452,838 63.75,841 1,842 164.795,843 135.199,844 33.571,846 86.996,848 6.046,849 129.153,850 251.792,851 33.571,852 7.19,854 91.332,855 127.324,856 48.561,857 4.901,858 141.253,860 164.795,861 162.724,862 86.996,863 6.046,865 164.795,866 86.996,869 34.88,870 111.058,871 22.831,873 164.795,874 120.567,875 135.199,877 6.046,878 164.795,879 18.581,880 110.571,881 16.786,882 103.782,883 164.795,884 120.567,885 135.199,887 0.603,888 0.337,889 0.171,890 0.094,891 23,892 10,893 0.067,894 3,895 1,896 1.095,897 3.793,898 223.806,899 0.095,900 21,901 116.211,903 1,904 16.676,905 6.186,906 3.339,907 1.851,908 103.782,909 19.39,910 4.309,911 3.316,914 4.101,916 59.469,917 420.561,918 42,921 -3.212,922 23.189,926 42.447,927 46.451,928 0.306,929 0.646,930 0.809,931 0.926,932 0.935,933 0.935,934 5.007,935 1.473,936 5.872,937 4.337,938 4.466,939 5.168,940 2.913,941 6.73,942 4.377,943 6.286,944 1.083,945 7.47,946 4.161,947 4.29,948 5.27,950 7.881,951 4.079,952 7.653,953 1.028,954 9.175,955 3.138,956 6.163,957 7.556,958 5.027,959 10.879,960 5.961,961 9.059,962 1,963 10.944,964 2.458,965 6.758,966 8.442,968 12.812,969 6.414,970 10.497,971 0.469,972 12.753,973 2.275,974 8.174,975 10.254,976 7.185,977 15.394,978 7.826,979 11.957,980 -0.346,981 14.59,982 1.178,983 9.093,984 11.483,986 17.622,987 8.611,988 13.434,989 -0.402,990 16.448,991 -0.859,992 10.344,993 13.114,994 9.348,995 20.083,996 9.83,997 3.315,998 -0.664,999 18.322,1000 -1.035,1001 11.402,1002 14.499,1004 22.428,1005 10.769,1006 3.091,1007 11.659,1008 20.207,1009 -1.728,1010 12.594,1011 16.058,1012 11.511,1013 24.858,1014 11.907,1015 2.855,1016 9.997,1017 22.103,1018 4.662,1019 13.713,1020 17.515,1022 27.253,1023 12.919,1024 2.532,1025 9.162,1026 24.006,1027 4.467,1028 14.886,1029 19.047,1030 13.675,1031 29.681,1032 14.022,1033 2.124,1034 8.134,1035 25.917,1036 3.921,1037 16.034,1038 20.537,1040 32.099,1041 15.07,1042 1.863,1043 5.849,1044 27.833,1045 3.437,1046 17.204,1047 22.06,1048 15.838,1049 34.532,1050 16.159,1051 1.541,1052 5.208,1053 29.754,1054 2.992,1055 18.365,1056 23.566,1058 36.963,1059 17.225,1060 7929,1061 14186,1062 19.186,1063 30.352,1064 45.141,1065 46.808,1066 45.221,1067 44.901,1068 44.749,1069 63.924,1070 5.9,1071 135.112,1072 42.803,1073 5.505,1074 7.18,1075 6.655,1076 5.225,1077 5.315,1078 7.662,1079 5.9,1080 18.567,1081 5.032,1082 13.464,1083 1.557,1084 1.614,1085 1.559,1086 1.548,1087 1.543,1088 2.204,1089 0.203,1090 4.659,1091 1.476,1092 4.154,1093 4.18,1094 4.735,1095 4.114,1096 7.716,1097 4.079,1098 4.067,1099 4.051,1100 4.105,1101 4.037,1102 6.999,1103 3.987,1104 3.842,1105 3.848,1106 3.859,1107 3.786,1108 6.471,1109 3.751,1110 3.58,1111 3.589,1112 3.579,1113 3.507,1114 4.995,1115 3.467,1116 3.367,1117 3.409,1118 3.299,1119 3.217,1120 4.818,1121 3.225,1122 2.958,1123 3.016,1124 2.838,1125 2.817,1126 4.614,1127 2.815,1128 2.854,1129 2.925,1130 2.744,1131 2.748,1132 4.107,1133 2.739,1134 2.849,1135 2.912,1136 2.687,1137 2.735,1138 3.782,1139 2.715,1140 0.166,1141 0.179,1142 0.245,1143 0.144,1144 0.114,1145 4.802,1146 0.161,1147 5.18,1148 0.102,1149 7.111,1150 0.402,1151 4.184,1152 0.105,1153 3.315,1154 4.662,1155 2.95,1156 11.659,1157 3.032,1158 2.014,1159 2.016,1160 2.055,1161 2.072,1162 1.245,1163 2.1,1164 1.919,1165 1.9,1166 2.002,1167 2.01,1168 1.126,1169 2.008,1170 1.828,1171 1.822,1172 1.858,1173 1.92,1174 1.04,1175 1.947,1176 1.54,1177 1.539,1178 1.587,1179 1.669,1180 0.811,1181 1.71,1182 1.341,1183 1.292,1184 1.5,1185 1.537,1186 0.56,1187 1.533,1188 1.012,1189 0.976,1190 1.186,1191 1.235,1192 0.252,1193 1.219,1194 0.886,1195 0.821,1196 1.181,1197 1.062,1198 0.218,1199 1.107,1200 0.865,1201 0.813,1202 1.087,1203 1.039,1204 0.19,1205 1.075,1206 4.078,1208 5.442,1209 2.398,1210 6.989,1211 4.727,1212 8.612,1213 6.843,1214 10.271,1216 1.192,1221 9.613,1231 29.062,1232 69.284,1233 146.384,1234 183.193,1235 209.722,1236 211.722,1237 211.722,1238 45.493,1239 7.655,1240 83.05,1241 91.43,1242 23,1243 12.582,1244 4.644,1245 3.807,1246 38.195,1247 102,1248 90,1249 0.187,1250 180.478,1251 302,1252 432.126,1253 22264,1255 18.311,1256 0.704,1257 0.569,1258 18.561,1259 14.787,1260 12.398,1261 0.428,1262 0.34,1263 8.067,1264 11.308,1265 7.668,1266 6.359,1267 13.292,1268 9.869,1269 12.334,1270 0.287,1271 0.191,1272 13.721,1273 8.229,1274 9.698,1275 0.176,1276 0.098,1277 10.455,1278 5.398,1279 7.999,1280 0.113,1281 0.05,1282 8.515,1283 3.546,1284 6.509,1285 0.072,1286 0.026,1287 6.866,1288 2.358,1289 0.294,1290 85.817,1291 0.228,1292 25.142,1293 0.507,1294 144,1295 422.459,1296 186.505,1297 437.797,1298 593.48,1299 402,1300 170,1301 414.121,1302 217.489,1303 457.813,1304 658.23,1305 427,1306 5.638} {0 CHEMBL1910192,1 1.561,2 9.913,3 3.473,4 12.06,5 85.625,6 8.426,7 0.846,8 3.729,9 3.823,10 3.395,11 3.334,12 4.985,13 3.339,14 4.156,15 4.269,16 3.762,17 3.712,18 5.402,19 3.705,20 4.4,21 4.56,22 3.76,23 3.781,24 5.615,25 3.744,26 4.397,27 4.608,28 3.594,29 3.669,30 5.505,31 3.608,32 4.245,33 4.463,34 3.505,35 3.535,36 5.348,37 3.485,38 4.085,39 4.263,40 3.43,41 3.458,42 5.28,43 3.417,44 4.08,45 4.278,46 3.331,47 3.387,48 5.286,49 3.33,50 3.976,51 4.183,52 3.138,53 3.274,54 5.114,55 3.197,56 0.079,57 0.506,58 5.72,59 2.923,60 11.954,61 3.114,62 0.068,63 0.796,64 8.816,65 4.58,66 9.929,67 5.239,68 0.238,69 1.005,70 13.911,71 6.078,72 30.42,73 6.988,74 0.258,75 1.006,76 16.17,77 6.225,78 33.053,79 7.73,80 0.23,81 0.864,82 14.192,83 5.342,84 28.261,85 6.918,86 0.184,87 0.74,88 10.483,89 4.286,90 22.113,91 5.182,92 0.241,93 0.714,94 11.415,95 4.486,96 28.398,97 5.604,98 0.186,99 0.616,100 10.715,101 4.365,102 23.63,103 5.494,104 5,105 37,106 0.277,107 0.575,108 0.715,109 0.834,110 0.867,111 0.877,112 3.189,113 0.822,114 -2.67,115 -2.69,116 -2.62,119 50,133 8,134 2,135 2,136 2,137 2,143 2,159 7,162 1,166 7,168 7,171 1,172 4,174 1,176 6,178 5,182 6,185 1,187 2,190 1,194 5,198 1,199 1,202 1,206 3,209 1,211 2,213 3,217 1,220 2,222 2,224 6,232 1,237 7,246 1,247 2,250 6,255 696,256 15.687,257 15.687,258 15.687,259 15.687,260 15.687,261 13.152,262 4.313,263 9.169,264 15.931,265 12.863,266 12.863,267 12.863,268 12.863,269 12.863,270 9.085,271 2.326,272 4.412,273 13.304,274 3.609,275 1.923,276 1.132,277 0.465,278 0.278,279 0.222,280 3.889,283 1,284 1,285 506,286 2,288 44.042,289 196.36,291 86.85,295 1.49,296 21.18,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 49.5,307 228,308 4.534,309 3.103,310 6.403,311 4.064,312 3.092,313 4.467,315 9.998,316 3.004,317 4.276,318 2.904,319 6.17,320 3.858,321 2.879,322 3.953,324 9.176,325 2.818,326 3.96,327 2.663,328 5.873,329 3.541,330 2.566,331 3.527,333 8.143,334 2.496,335 3.671,336 2.49,337 5.047,338 3.241,339 2.285,340 3.113,342 6.106,343 2.177,344 3.482,345 2.268,346 4.962,347 3.045,348 2.092,349 2.844,351 5.823,352 1.983,353 3.08,354 1.656,355 4.49,356 2.577,357 1.616,358 2.347,360 4.464,361 1.552,362 3.005,363 1.52,364 4.394,365 2.496,366 1.516,367 2.244,369 4.246,370 1.48,371 2.623,372 1.174,373 4.058,374 2.099,375 1.143,376 1.681,378 3.199,379 1.09,380 2.526,381 1.037,382 3.47,383 2,384 1.03,385 1.539,386 2.463,387 1,388 2.5,389 1,390 3.414,391 1.948,392 1,393 1.5,394 2.275,395 0.944,396 1.945,397 0.538,398 3.159,399 1.432,400 0.469,401 0.685,402 1.178,403 0.45,404 1.178,405 0.124,406 2.59,407 0.789,408 -0.15,409 -0.189,411 -0.333,412 -0.139,413 0.97,414 -0.123,415 2.505,416 0.543,417 -0.397,418 -0.514,420 -1.021,421 -0.368,422 0.76,423 -0.586,424 2.345,425 0.285,426 -0.643,427 -0.861,429 -1.608,430 -0.592,431 0.613,432 -0.742,433 2,434 0.122,435 -0.821,436 -1.101,438 -2.308,439 -0.77,440 10.867,441 0.472,442 0.571,443 0.025,444 36,445 1.565,446 21,447 0.913,448 15,449 0.652,450 12.863,451 0.559,452 22.733,453 0.631,454 24.312,455 1.057,456 7.213,457 0.314,458 3.974,459 0.173,460 0.061,462 0.368,466 1.012,467 1.009,468 0.732,469 0.78,470 1.023,471 0.72,472 0.74,473 1.238,474 0.771,475 1.041,476 0.591,477 0.931,478 1.034,479 1.103,480 1.077,481 1.083,482 0.998,483 1.089,484 0.956,485 1.056,486 1.046,487 0.988,488 0.872,489 1.015,490 0.76,491 1.009,492 0.859,493 0.863,494 0.668,495 0.862,496 0.859,497 1.091,498 1.022,499 1.001,500 0.729,501 1.019,502 0.814,503 0.926,504 1.02,505 0.962,506 0.771,507 1.006,508 0.843,509 0.82,510 1.034,511 0.989,512 0.856,513 1.031,514 5,515 0.101,516 2.667,517 1.229,518 1.143,519 0.726,520 0.363,521 0.284,522 0.21,523 0.092,524 5999,525 17511,526 2.168,527 36.1,529 8,531 2,532 3,536 1.656,537 2.06,538 3.311,539 0.989,541 1,543 1,545 56.198,546 1.561,547 3.247,548 4.038,549 4.705,550 4.892,551 4.948,552 2.752,553 4.263,554 4.495,555 3.399,556 859.898,557 7.732,558 9625.95,559 1,560 1,561 1,562 1,563 186.117,564 1.302,565 4.469,566 0.192,567 0.01,568 0.072,569 0.035,570 0.039,571 0.027,572 0.015,573 0.013,574 0.012,575 0.007,576 0.422,577 0.5,578 1,579 0.503,580 107.3,581 -0.169,582 0.018,583 -0.011,584 0.124,585 -0.213,586 0.092,587 -0.056,588 -0.208,589 -0.032,590 -0.138,591 0.019,592 -0.092,593 -0.097,594 -0.088,595 -0.19,596 -0.154,597 -0.106,598 -0.189,599 -0.089,600 -0.041,601 -0.05,602 -0.031,603 -0.09,604 -0.032,605 0.034,606 0.013,607 0.147,608 0.1,609 0.029,610 0.139,611 -0.034,612 -0.046,613 -0.117,614 -0.076,615 -0.007,616 -0.101,617 0.092,618 0.083,619 -0.043,620 -0.004,621 0.075,622 -0.036,623 0.034,624 0.123,625 -0.026,626 0.013,627 0.029,628 -0.005,629 1.451,630 3.563,631 0.913,632 17.97,633 1.011,634 1.111,635 1.442,636 2.079,637 0.715,638 3.296,639 3.638,640 3.912,641 4.19,642 4.454,643 4.522,644 4.644,645 4.787,646 4.836,647 4.905,648 5.7,649 0.698,650 303.34,651 3.296,652 4.844,653 5.7,654 6.583,655 7.458,656 8.344,657 9.225,658 10.114,659 10.999,660 11.888,661 8.3,669 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,696 2,699 36,700 22,701 2,702 26,704 39,705 18,706 18,707 5,708 7,710 4,711 5,721 18,732 1,733 1,736 13,737 4,738 3,739 5,743 3,747 0.75,748 2,751 1,756 1,759 1,760 3,762 1,777 3,785 23,788 2,801 5.6,803 2,808 11.167,809 6.383,810 4.917,811 1.979,812 4.24,813 1.574,814 1.004,815 3.246,816 11.622,817 3.638,818 4.321,819 4.969,820 5.617,821 6.219,822 6.57,823 7.047,824 7.531,825 7.871,826 8.285,827 0.857,828 35,829 8.429,831 3.665,832 7.841,833 15.871,835 13.196,837 2.341,838 53.833,842 117.711,843 110.078,844 50.357,846 85.367,849 110.078,850 203.078,851 50.357,854 75.81,855 142.48,856 46.152,857 4.901,858 94.169,860 117.711,861 160.434,862 85.367,865 117.711,866 85.367,869 40.394,870 86.469,871 33.571,873 117.711,874 135.723,875 110.078,878 117.711,879 16.173,880 93.905,881 16.786,882 118.938,883 117.711,884 135.723,885 110.078,887 0.588,888 0.338,889 0.181,890 0.106,891 20,892 8,893 0.051,894 2,895 1,896 1.095,897 3.603,898 189.794,899 0.095,900 21,901 100.042,904 13.794,905 5.413,906 2.647,907 1.839,908 118.938,909 17.307,910 8.876,911 3.273,914 3.597,916 102.152,917 363.512,918 37,926 36.378,927 39.99,928 0.302,929 0.628,930 0.781,931 0.91,932 0.946,933 0.957,934 4.856,935 1.143,936 5.687,937 4.246,938 4.317,939 5.007,941 6.488,942 4.252,943 6.092,944 1.03,945 7.236,946 3.199,947 3.892,948 4.808,950 7.322,951 3.789,952 7.408,953 1,954 8.879,955 2.463,956 5.905,957 7.291,959 10.406,960 5.786,961 8.76,962 0.469,963 10.577,964 2.275,965 6.275,966 7.911,968 12.057,969 6.12,970 10.141,971 -0.15,972 12.309,973 1.178,974 7.762,975 9.844,977 14.637,978 7.591,979 11.543,980 -0.397,981 14.065,982 -0.333,983 8.506,984 10.874,986 16.634,987 8.304,988 12.962,989 -0.643,990 15.839,991 -1.021,992 9.77,993 12.559,995 19.027,996 9.549,997 3.092,998 -0.821,999 17.625,1000 -1.608,1001 10.698,1002 13.806,1004 21.176,1005 10.448,1006 2.879,1007 9.998,1008 19.422,1009 -2.308,1010 11.866,1011 15.375,1013 23.497,1014 11.594,1015 2.566,1016 9.176,1017 21.227,1018 4.467,1019 12.885,1020 16.736,1022 25.715,1023 12.584,1024 2.285,1025 8.143,1026 23.037,1027 3.953,1028 14.013,1029 18.253,1031 28.009,1032 13.689,1033 2.092,1034 6.106,1035 24.853,1036 3.527,1037 15.077,1038 19.673,1040 30.26,1041 14.724,1042 1.616,1043 5.823,1044 26.673,1045 3.113,1046 16.191,1047 21.168,1049 32.545,1050 15.812,1051 1.516,1052 4.464,1053 28.497,1054 2.844,1055 17.278,1056 22.62,1058 34.812,1059 16.871,1060 5622,1061 9701,1062 17.8,1063 25.733,1064 39.894,1065 39.369,1066 40.265,1067 39.447,1068 39.377,1069 55.799,1071 114.142,1072 37.987,1073 5.227,1074 5.103,1075 5.947,1076 5.134,1077 5.092,1078 7.467,1080 16.717,1081 5.004,1082 8.821,1083 1.534,1084 1.514,1085 1.549,1086 1.517,1087 1.515,1088 2.146,1090 4.39,1091 1.461,1092 4.14,1093 4.172,1094 4.104,1095 4.048,1096 6.474,1097 4.057,1098 3.944,1099 3.971,1100 3.898,1101 3.871,1102 6.468,1103 3.873,1104 3.698,1105 3.737,1106 3.649,1107 3.565,1108 5.049,1109 3.582,1110 3.379,1111 3.42,1112 3.311,1113 3.228,1114 4.837,1115 3.241,1116 2.977,1117 3.018,1118 2.902,1119 2.832,1120 4.553,1121 2.839,1122 2.952,1123 2.995,1124 2.832,1125 2.814,1126 4.124,1127 2.815,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.932,1133 2.715,1134 2.69,1135 2.741,1136 2.603,1137 2.508,1138 3.737,1139 2.521,1140 0.174,1141 0.119,1142 0.246,1143 0.156,1144 0.119,1145 4.534,1146 0.172,1147 3.103,1149 6.403,1150 0.385,1151 4.064,1152 0.116,1153 3.092,1154 4.467,1156 9.998,1157 3.004,1158 1.936,1159 1.912,1160 2.021,1161 2.046,1162 1.126,1163 2.037,1164 1.918,1165 1.898,1166 2.002,1167 2.008,1168 1.101,1169 2.007,1170 1.714,1171 1.676,1172 1.802,1173 1.86,1174 0.85,1175 1.85,1176 1.361,1177 1.312,1178 1.497,1179 1.563,1180 0.524,1181 1.546,1182 1.012,1183 0.976,1184 1.186,1185 1.236,1186 0.246,1187 1.22,1188 0.914,1189 0.881,1190 1.181,1191 1.125,1192 0.218,1193 1.108,1194 0.886,1195 0.821,1196 1.105,1197 1.062,1198 0.169,1199 1.107,1200 0.749,1201 0.692,1202 1.012,1203 0.989,1204 0.036,1205 1.003,1206 3.97,1208 5.303,1209 2.398,1210 6.828,1211 4.727,1212 8.434,1213 6.843,1214 10.082,1221 18.941,1231 25.128,1232 56.198,1233 116.898,1234 145.362,1235 169.362,1236 176.117,1237 178.117,1238 29.97,1239 7.382,1240 82.03,1241 82.03,1242 23,1243 12.418,1244 4.524,1245 3.585,1246 31.919,1247 78,1248 81,1249 0.201,1250 152.96,1251 251.1,1252 364.983,1253 15715,1255 15.811,1256 0.687,1257 0.524,1258 15.811,1259 12.062,1260 11.187,1261 0.43,1262 0.274,1263 7.046,1264 10.851,1265 6.914,1266 5.72,1267 11.187,1268 7.125,1269 10.377,1270 0.28,1271 0.143,1272 10.377,1273 5.291,1274 8.762,1275 0.179,1276 0.075,1277 8.762,1278 3.678,1279 7.3,1280 0.112,1281 0.039,1282 7.3,1283 2.525,1284 6.223,1285 0.073,1286 0.02,1287 6.223,1288 1.722,1289 0.313,1290 69.591,1291 0.237,1292 22.502,1293 0.558,1294 126,1295 359.922,1296 135.703,1297 358.059,1298 495.92,1299 334,1300 149,1301 374.244,1302 158.733,1303 382.944,1304 556.93,1305 361,1306 6.469} {0 CHEMBL1910193,1 1.511,2 10.583,3 3.619,4 13.097,5 89.668,6 8.676,7 0.815,8 3.719,9 3.814,10 3.419,11 3.369,12 5.006,13 3.369,14 4.149,15 4.264,16 3.772,17 3.744,18 5.376,19 3.73,20 4.39,21 4.552,22 3.793,23 3.825,24 5.611,25 3.784,26 4.396,27 4.604,28 3.647,29 3.71,30 5.573,31 3.653,32 4.249,33 4.464,34 3.532,35 3.563,36 5.406,37 3.516,38 4.077,39 4.257,40 3.442,41 3.493,42 5.232,43 3.449,44 4.071,45 4.27,46 3.386,47 3.437,48 5.312,49 3.381,50 3.977,51 4.181,52 3.212,53 3.332,54 5.203,55 3.259,56 0.047,57 0.504,58 4.94,59 2.675,60 10.185,61 2.869,62 0.049,63 0.789,64 7.908,65 4.253,66 9.796,67 4.807,68 0.175,69 1.019,70 12.542,71 5.802,72 24.352,73 6.713,74 0.206,75 1.046,76 14.947,77 5.981,78 33.274,79 7.201,80 0.222,81 0.894,82 13.588,83 5.197,84 35.505,85 6.357,86 0.122,87 0.748,88 9.775,89 4.169,90 18.798,91 4.854,92 0.173,93 0.742,94 10.523,95 4.389,96 24.502,97 5.477,98 0.188,99 0.652,100 10.065,101 4.184,102 30.293,103 5.181,104 6,105 38,106 0.265,107 0.599,108 0.751,109 0.858,110 0.868,111 0.868,112 3.229,113 0.819,114 -2.83,115 -2.84,116 -2.75,119 52.8,133 8,134 3,135 1,136 2,137 2,143 2,147 1,159 9,162 2,166 5,168 9,171 1,172 6,174 1,176 4,178 6,182 8,185 1,187 1,190 1,194 7,198 1,199 1,202 1,206 4,211 2,213 3,216 1,217 1,220 1,222 2,224 6,228 1,232 1,234 1,237 8,247 1,250 7,255 790,256 16.558,257 16.558,258 16.558,259 16.558,260 16.558,261 13.983,262 5.481,263 9.668,264 16.77,265 13.291,266 13.291,267 13.291,268 13.291,269 13.291,270 9.324,271 3.507,272 4.551,273 13.671,274 3.659,275 1.756,276 0.889,277 0.278,278 0.222,279 0.222,280 3.93,283 1,284 1,285 561,286 2.236,288 47.135,289 209.508,291 92.805,295 1.667,296 20.318,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 51,307 254,308 4.534,309 4.057,310 6.403,311 4.064,312 3.093,313 4.467,314 2.035,315 9.998,316 3.005,317 4.287,318 3.103,319 6.171,320 3.864,321 2.883,322 3.963,324 9.18,325 2.83,326 4.023,327 2.889,328 5.874,329 3.56,330 2.581,331 3.58,333 8.15,334 2.523,335 3.813,336 2.627,337 5.296,338 3.344,339 2.359,340 3.195,342 6.763,343 2.323,344 3.517,345 2.394,346 4.965,347 3.054,348 2.101,349 2.888,351 5.838,352 1.993,353 3.209,354 2.247,355 4.517,356 2.603,357 1.638,358 2.392,360 4.528,361 1.578,362 3.029,363 1.648,364 4.396,365 2.502,366 1.519,367 2.264,369 4.258,370 1.49,371 2.918,372 1.52,373 4.074,374 2.127,375 1.17,376 1.748,378 3.233,379 1.118,380 2.584,381 1.17,382 3.472,383 2,384 1.03,385 1.539,386 2.467,387 1,388 2.525,389 1.037,390 3.414,391 1.95,392 1,393 1.5,394 2.275,395 0.946,396 2.5,397 1,398 3.159,399 1.437,400 0.491,401 0.958,402 1.178,403 0.463,404 1.945,405 0.538,406 2.802,407 1.432,408 0.469,409 0.685,411 0.755,412 0.45,413 1.098,414 0.125,415 2.555,416 0.566,417 -0.386,418 -0.51,420 -0.822,421 -0.362,422 0.968,423 -0.123,424 2.353,425 0.529,426 -0.421,427 -0.613,429 -1.029,430 -0.399,431 0.751,432 -0.585,433 2.34,434 0.268,435 -0.668,436 -0.908,438 -1.682,439 -0.624,440 11.433,441 0.476,442 0.533,443 0.022,444 39,445 1.625,446 23.5,447 0.979,448 15.5,449 0.646,450 13.139,451 0.547,452 22.767,453 0.632,454 26.177,455 1.091,456 7.687,457 0.32,458 4.037,459 0.168,460 0.064,462 0.35,466 0.934,467 0.994,468 0.682,469 0.784,470 0.737,471 0.715,472 0.766,473 1.147,474 0.782,475 0.997,476 0.516,477 0.911,478 0.964,479 1.084,480 1.049,481 1.098,482 0.782,483 1.094,484 1.045,485 1.065,486 1.089,487 1.031,488 0.957,489 1.05,490 1.025,491 0.963,492 0.963,493 0.857,494 0.949,495 0.881,496 1.039,497 1.082,498 1.051,499 0.993,500 0.695,501 1.009,502 0.74,503 0.949,504 0.972,505 0.985,506 0.584,507 1.002,508 0.864,509 0.745,510 1.055,511 0.93,512 0.967,513 1.005,514 5,515 0.101,516 2.667,517 1.229,518 1.183,519 0.789,520 0.363,521 0.284,522 0.222,523 0.107,524 6776,525 20316,526 2.161,527 33.3,529 8,531 2,532 2,536 1.667,537 2.057,538 3.391,539 0.255,541 1,543 1,545 54.387,546 1.511,547 3.414,548 4.281,549 4.892,550 4.948,551 4.948,552 2.907,553 4.22,554 4.554,555 3.49,556 963.141,557 7.849,558 11201.1,559 1,560 1,561 1,562 1,563 186.117,564 1.281,565 4.532,566 0.185,567 0.008,568 0.07,569 0.033,570 0.038,571 0.028,572 0.014,573 0.012,574 0.011,575 0.007,576 0.407,577 0.5,578 1,579 0.681,580 114.186,581 -0.132,582 -0.017,583 0.006,584 0.074,585 -0.087,586 0.063,587 -0.061,588 -0.17,589 -0.052,590 -0.125,591 -0.005,592 -0.095,593 -0.041,594 -0.102,595 -0.161,596 -0.168,597 -0.044,598 -0.187,599 -0.094,600 -0.052,601 -0.073,602 -0.061,603 -0.094,604 -0.061,605 -0.017,606 0.052,607 0.084,608 0.127,609 -0.067,610 0.127,611 -0.167,612 -0.076,613 -0.125,614 -0.055,615 -0.078,616 -0.075,617 0.138,618 0.042,619 0.021,620 -0.01,621 0.161,622 -0.012,623 0.102,624 0.204,625 -0.026,626 0.083,627 0.04,628 0.025,629 1.439,630 3.581,631 0.875,632 20.569,633 1.007,634 1.107,635 1.602,636 2.565,637 0.737,638 3.332,639 3.664,640 3.951,641 4.22,642 4.477,643 4.564,644 4.7,645 4.82,646 4.883,647 4.963,648 6.015,649 0.72,650 312.35,651 3.332,652 4.875,653 5.733,654 6.613,655 7.488,656 8.373,657 9.255,658 10.142,659 11.027,660 11.916,661 11.1,669 1,670 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,683 1,696 1,699 36,700 23,701 2,702 27,704 39,705 19,706 18,707 5,708 7,710 4,711 5,720 1,721 18,732 1,733 1,736 12,737 4,738 2,739 5,743 4,747 0.75,748 1,751 1,756 1,759 1,760 3,762 1,777 3,785 24,788 1,796 1,798 1,799 1,801 2.8,803 1,808 11.667,809 6.633,810 5.25,811 2.042,812 4.463,813 1.597,814 1.025,815 3.403,816 11.944,817 3.714,818 4.36,819 5.03,820 5.664,821 6.259,822 6.639,823 7.136,824 7.578,825 7.938,826 8.368,827 1,828 37,829 8.77,831 3.779,832 7.847,833 16.504,835 13.628,837 2.347,838 56.333,842 117.711,843 129.865,844 81.416,846 42.683,849 129.865,850 160.394,851 81.416,854 75.81,855 116.398,856 80.397,857 4.901,858 94.169,860 117.711,861 211.281,862 42.683,865 117.711,866 42.683,869 71.453,870 106.257,871 33.571,873 117.711,874 124.099,875 129.865,878 117.711,879 19.358,880 93.905,881 33.387,882 107.314,883 117.711,884 124.099,885 129.865,887 0.582,888 0.343,889 0.183,890 0.104,891 20,892 8,893 0.051,894 2,895 1,896 1.095,897 3.7,898 199.707,899 0.095,900 21,901 106.039,904 14.291,905 5.715,906 2.716,907 1.837,908 107.314,909 17.718,910 8.918,911 3.279,914 4.019,916 59.469,917 371.675,918 40,926 36.269,927 39.863,928 0.292,929 0.66,930 0.828,931 0.946,932 0.957,933 0.957,934 4.938,935 1.17,936 5.714,937 4.258,938 4.344,939 5.047,940 2.228,941 6.515,942 4.289,943 6.176,944 1.03,945 7.263,946 3.233,947 3.892,948 4.808,950 7.357,951 3.816,952 7.491,953 1,954 8.907,955 2.467,956 5.932,957 7.327,958 3.563,959 10.434,960 5.83,961 8.841,962 0.491,963 10.605,964 2.275,965 6.293,966 7.935,968 12.088,969 6.168,970 10.22,971 0.469,972 12.338,973 1.178,974 7.788,975 9.877,976 4.962,977 14.66,978 7.64,979 11.619,980 -0.386,981 14.094,982 0.755,983 8.528,984 10.902,986 16.655,987 8.354,988 13.035,989 -0.421,990 15.867,991 -0.822,992 9.793,993 12.587,994 6.378,995 19.042,996 9.597,997 3.093,998 -0.668,999 17.653,1000 -1.029,1001 10.719,1002 13.831,1004 21.19,1005 10.495,1006 2.883,1007 9.998,1008 19.448,1009 -1.682,1010 11.886,1011 15.398,1012 7.797,1013 23.507,1014 11.638,1015 2.581,1016 9.18,1017 21.251,1018 4.467,1019 12.904,1020 16.757,1022 25.724,1023 12.627,1024 2.359,1025 8.15,1026 23.06,1027 3.963,1028 14.031,1029 18.271,1030 9.217,1031 28.015,1032 13.729,1033 2.101,1034 6.763,1035 24.874,1036 3.58,1037 15.094,1038 19.69,1040 30.265,1041 14.762,1042 1.638,1043 5.838,1044 26.692,1045 3.195,1046 16.206,1047 21.183,1048 10.638,1049 32.549,1050 15.848,1051 1.519,1052 4.528,1053 28.514,1054 2.888,1055 17.292,1056 22.633,1058 34.816,1059 16.905,1060 6383,1061 11148,1062 18.493,1063 26.523,1064 42.211,1065 43.471,1066 41.555,1067 40.675,1068 40.664,1069 58.359,1070 4.069,1071 117.248,1072 39.434,1073 5.228,1074 6.057,1075 5.956,1076 5.134,1077 5.093,1078 7.467,1079 4.069,1080 16.718,1081 5.005,1082 9.195,1083 1.563,1084 1.61,1085 1.539,1086 1.506,1087 1.506,1088 2.161,1089 0.151,1090 4.343,1091 1.461,1092 4.14,1093 4.173,1094 4.105,1095 4.049,1096 6.82,1097 4.058,1098 3.955,1099 3.983,1100 3.912,1101 3.894,1102 6.471,1103 3.894,1104 3.713,1105 3.755,1106 3.672,1107 3.585,1108 5.051,1109 3.602,1110 3.387,1111 3.427,1112 3.325,1113 3.246,1114 4.841,1115 3.258,1116 3.157,1117 3.206,1118 3.125,1119 3.006,1120 4.621,1121 3.027,1122 2.957,1123 3.015,1124 2.836,1125 2.817,1126 4.124,1127 2.815,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.948,1133 2.715,1134 2.757,1135 2.806,1136 2.67,1137 2.635,1138 3.737,1139 2.639,1140 0.168,1141 0.15,1142 0.237,1143 0.151,1144 0.115,1145 4.534,1146 0.165,1147 4.057,1148 0.075,1149 6.403,1150 0.37,1151 4.064,1152 0.111,1153 3.093,1154 4.467,1155 2.035,1156 9.998,1157 3.005,1158 1.952,1159 1.927,1160 2.034,1161 2.049,1162 1.127,1163 2.043,1164 1.919,1165 1.899,1166 2.002,1167 2.008,1168 1.115,1169 2.007,1170 1.73,1171 1.69,1172 1.81,1173 1.868,1174 0.855,1175 1.859,1176 1.377,1177 1.33,1178 1.503,1179 1.568,1180 0.534,1181 1.552,1182 1.08,1183 1.036,1184 1.192,1185 1.261,1186 0.251,1187 1.232,1188 1.011,1189 0.975,1190 1.181,1191 1.231,1192 0.218,1193 1.217,1194 0.886,1195 0.821,1196 1.169,1197 1.062,1198 0.181,1199 1.107,1200 0.794,1201 0.741,1202 1.041,1203 0.995,1204 0.048,1205 1.016,1206 4.007,1208 5.333,1209 2.398,1210 6.855,1211 4.727,1212 8.461,1213 6.843,1214 10.108,1221 9.581,1229 8.881,1230 2.101,1231 25.908,1232 54.387,1233 122.898,1234 154.117,1235 176.117,1236 178.117,1237 178.117,1238 31.267,1239 7.481,1240 85.59,1241 85.59,1242 23,1243 12.446,1244 4.585,1245 3.807,1246 33.963,1247 86,1248 96,1249 0.194,1250 159.496,1251 265.33,1252 380.93,1253 17896,1255 16.518,1256 0.688,1257 0.523,1258 16.518,1259 12.562,1260 11.725,1261 0.434,1262 0.273,1263 7.303,1264 11.417,1265 7.154,1266 5.93,1267 11.725,1268 7.375,1269 10.546,1270 0.278,1271 0.143,1272 10.546,1273 5.433,1274 9.17,1275 0.18,1276 0.075,1277 9.17,1278 3.825,1279 7.61,1280 0.114,1281 0.039,1282 7.61,1283 2.608,1284 6.334,1285 0.073,1286 0.02,1287 6.334,1288 1.768,1289 0.304,1290 72.595,1291 0.233,1292 23.445,1293 0.533,1294 130,1295 371.418,1296 138.293,1297 375.627,1298 518.92,1299 350,1300 154,1301 388.622,1302 162.738,1303 400.676,1304 579.61,1305 377,1306 6} {0 CHEMBL1910194,1 1.728,2 10.846,3 3.266,4 10.667,5 97.685,6 8.913,7 0.759,8 3.848,9 3.927,10 3.716,11 3.507,12 5.026,13 3.47,14 4.333,15 4.439,16 3.997,17 3.877,18 5.734,19 3.847,20 4.567,21 4.711,22 3.988,23 3.959,24 5.861,25 3.906,26 4.572,27 4.756,28 3.834,29 3.867,30 5.797,31 3.8,32 4.481,33 4.7,34 3.672,35 3.722,36 5.616,37 3.648,38 4.245,39 4.442,40 3.628,41 3.617,42 5.332,43 3.546,44 4.206,45 4.379,46 3.663,47 3.573,48 5.516,49 3.512,50 4.21,51 4.395,52 3.536,53 3.518,54 5.512,55 3.439,56 0.113,57 0.597,58 8.149,59 3.996,60 18.337,61 3.835,62 0.235,63 0.954,64 14.173,65 6.514,66 43.542,67 6.743,68 0.392,69 1.179,70 18.331,71 7.949,72 55.461,73 8.102,74 0.369,75 1.186,76 20.042,77 8.036,78 47.123,79 8.952,80 0.394,81 1.06,82 18.982,83 7.277,84 56.456,85 8.877,86 0.216,87 0.879,88 13.898,89 5.633,90 27.807,91 6.867,92 0.299,93 0.843,94 13.666,95 5.421,96 32.635,97 6.356,98 0.371,99 0.803,100 13.405,101 5.455,102 48.213,103 6.191,104 18,105 43,106 0.296,107 0.626,108 0.756,109 0.848,110 0.857,111 0.857,112 3.304,113 1.007,114 -2.8,115 -2.81,116 -2.72,119 46.3,123 1,133 8,134 2,135 2,136 2,137 2,143 2,159 7,161 1,162 1,166 5,168 7,171 1,172 8,174 1,176 4,178 5,182 10,185 1,187 1,190 1,194 7,198 1,199 1,202 1,206 3,211 2,213 3,216 2,217 1,220 1,222 2,224 6,228 2,232 1,237 7,247 1,250 6,255 942,256 17.16,257 17.16,258 17.16,259 17.16,260 17.16,261 14.375,262 5.309,263 9.8,264 17.606,265 14.338,266 14.338,267 14.338,268 14.338,269 14.338,270 10.07,271 3.647,272 4.68,273 15.127,274 3.63,275 1.707,276 0.945,277 0.409,278 0.36,279 0.36,280 3.998,283 1,284 1,285 615,286 3.162,288 53.321,289 235.804,291 104.717,295 1.781,296 32.746,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 56.5,307 282,308 4.802,309 5.18,310 7.111,311 4.184,312 3.315,313 4.662,314 2.95,315 11.659,316 3.005,317 4.534,318 3.103,319 6.403,320 4.061,321 3.091,322 4.467,324 9.997,325 2.883,326 4.255,327 2.892,328 6.165,329 3.828,330 2.855,331 3.921,333 9.162,334 2.732,335 3.914,336 2.666,337 5.871,338 3.509,339 2.532,340 3.437,342 8.134,343 2.466,344 3.549,345 2.537,346 4.966,347 3.074,348 2.124,349 2.992,351 5.849,352 2.009,353 3.346,354 2.282,355 4.74,356 2.833,357 1.863,358 2.685,360 5.208,361 1.797,362 3.04,363 1.703,364 4.45,365 2.525,366 1.541,367 2.303,369 4.337,370 1.515,371 2.959,372 1.523,373 4.391,374 2.43,375 1.473,376 2.158,378 4.161,379 1.404,380 2.582,381 1.24,382 4.056,383 2.049,384 1.083,385 1.615,386 3.138,387 1.042,388 2.525,389 1.038,390 3.471,391 2,392 1.028,393 1.537,394 2.458,395 1,396 2.5,397 1,398 3.414,399 1.944,400 1,401 1.5,402 2.275,403 0.94,404 1.945,405 0.731,406 3.159,407 1.432,408 0.469,409 0.685,411 1.178,412 0.45,413 1.054,414 0.538,415 2.826,416 0.61,417 -0.346,418 -0.46,420 -0.859,421 -0.325,422 1,423 -0.055,424 2.557,425 0.538,426 -0.402,427 -0.519,429 -1.035,430 -0.372,431 0.965,432 -0.123,433 2.364,434 0.269,435 -0.664,436 -0.89,438 -1.728,439 -0.615,440 12.533,441 0.482,442 0.86,443 0.033,444 40.25,445 1.548,446 23.5,447 0.904,448 16.75,449 0.644,450 16.287,451 0.626,452 26.467,453 0.646,454 29.393,455 1.131,456 7.766,457 0.299,458 4.632,459 0.178,460 0.12,461 0.066,462 0.319,466 0.654,467 1.1,468 0.803,469 1.041,470 0.763,471 0.797,472 0.708,473 1.185,474 0.99,475 1.096,476 0.569,477 0.899,478 1.181,479 1.052,480 1.088,481 1.013,482 1.152,483 1.061,484 1.022,485 1.103,486 1.028,487 1.024,488 0.93,489 1.093,490 0.895,491 0.933,492 0.743,493 0.74,494 0.856,495 0.893,496 0.679,497 1.041,498 0.753,499 0.854,500 0.521,501 0.917,502 0.62,503 1.064,504 0.896,505 1.005,506 0.552,507 0.994,508 0.933,509 0.8,510 0.914,511 0.822,512 0.958,513 0.989,514 7,515 0.127,516 3.556,517 1.729,518 1.263,519 0.969,520 0.527,521 0.378,522 0.305,523 0.218,524 8342,525 27068,526 2.092,527 36.6,529 11,531 2,532 2,536 1.688,537 1.938,538 3.417,539 0.289,540 1,541 1,545 70.836,546 1.728,547 3.651,548 4.412,549 4.949,550 4.998,551 4.998,552 2.921,553 3.69,554 4.672,555 3.587,556 1165.65,557 8.078,558 14515.7,559 1,560 1,562 1,563 219.66,564 1.619,565 4.616,566 0.241,567 0.008,568 0.083,569 0.042,570 0.036,571 0.032,572 0.019,573 0.013,574 0.013,575 0.011,576 0.499,577 0.5,578 1,579 0.777,580 127.639,581 0.006,582 -0.032,583 0.171,584 0.014,585 -0.186,586 0.067,587 0.07,588 -0.145,589 -0.073,590 -0.105,591 0.198,592 -0.019,593 -0.187,594 -0.044,595 -0.22,596 -0.094,597 -0.151,598 -0.165,599 -0.133,600 -0.106,601 -0.159,602 -0.127,603 -0.088,604 -0.142,605 -0.043,606 0.031,607 0.082,608 0.114,609 -0.074,610 0.111,611 -0.032,612 -0.031,613 0.091,614 0.037,615 -0.019,616 0.061,617 0.184,618 -0.025,619 0.026,620 -0.07,621 0.153,622 -0.051,623 0.055,624 0.196,625 -0.031,626 0.08,627 -0.006,628 -0.037,629 4.149,630 4.579,631 0.808,632 23.976,633 1.016,634 1.111,635 1.57,636 2.466,637 0.722,638 3.401,639 3.784,640 4.025,641 4.277,642 4.522,643 4.644,644 4.804,645 4.883,646 4.97,647 5.069,648 6.453,649 0.697,650 365.44,651 3.401,652 4.977,653 5.832,654 6.73,655 7.602,656 8.5,657 9.379,658 10.276,659 11.159,660 12.055,661 7.3,669 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,696 1,699 41,700 24,701 2,702 29,704 44,705 19,706 18,707 5,708 7,710 4,711 5,721 18,722 1,724 2,727 1,728 2,732 1,733 1,736 15,737 5,738 2,739 7,740 1,743 3,747 0.75,748 3,751 1,756 1,759 1,760 3,762 1,777 3,779 1,781 1,785 26,787 1,788 1,801 7.3,803 1,804 2,808 13.417,809 7.683,810 5.417,811 2.193,812 4.458,813 1.582,814 1.024,815 3.93,816 12.112,817 3.761,818 4.48,819 5.068,820 5.695,821 6.284,822 6.682,823 7.19,824 7.609,825 7.981,826 8.419,827 1,828 41,829 9.728,831 4.434,832 7.99,833 17.971,835 15.217,837 2.49,838 64.75,841 1,842 153.024,843 124.865,844 50.357,846 86.996,848 6.046,849 118.819,850 240.021,851 50.357,852 7.19,854 81.856,855 144.11,856 47.703,857 4.901,858 129.482,860 153.024,861 169.175,862 86.996,863 6.046,865 153.024,866 86.996,869 40.394,870 95.211,871 39.617,873 153.024,874 137.353,875 124.865,877 6.046,878 153.024,879 17.724,880 101.095,881 16.786,882 120.567,883 153.024,884 137.353,885 124.865,887 0.603,888 0.337,889 0.171,890 0.094,891 23,892 10,893 0.068,894 3,895 1,896 1.095,897 3.793,898 223.806,899 0.095,900 21,901 116.211,903 1,904 16.615,905 6.15,906 3.316,907 1.771,908 120.567,909 16.832,910 8.863,911 3.254,914 3.331,916 59.469,917 415.242,918 42,921 -3.233,922 23.158,926 41.665,927 45.534,928 0.322,929 0.681,930 0.824,931 0.924,932 0.933,933 0.933,934 5.007,935 1.473,936 5.872,937 4.337,938 4.466,939 5.168,940 2.913,941 6.73,942 4.362,943 6.286,944 1.083,945 7.47,946 4.161,947 4.29,948 5.27,950 7.881,951 4.058,952 7.653,953 1.028,954 9.175,955 3.138,956 6.163,957 7.556,958 5.027,959 10.879,960 5.93,961 9.059,962 1,963 10.944,964 2.458,965 6.758,966 8.442,968 12.812,969 6.377,970 10.497,971 0.469,972 12.753,973 2.275,974 8.174,975 10.254,976 7.185,977 15.394,978 7.778,979 11.957,980 -0.346,981 14.59,982 1.178,983 9.093,984 11.483,986 17.622,987 8.556,988 13.434,989 -0.402,990 16.448,991 -0.859,992 10.344,993 13.114,994 9.348,995 20.083,996 9.767,997 3.315,998 -0.664,999 18.322,1000 -1.035,1001 11.402,1002 14.499,1004 22.428,1005 10.698,1006 3.091,1007 11.659,1008 20.207,1009 -1.728,1010 12.594,1011 16.058,1012 11.511,1013 24.858,1014 11.827,1015 2.855,1016 9.997,1017 22.103,1018 4.662,1019 13.713,1020 17.515,1022 27.253,1023 12.832,1024 2.532,1025 9.162,1026 24.006,1027 4.467,1028 14.886,1029 19.047,1030 13.675,1031 29.681,1032 13.927,1033 2.124,1034 8.134,1035 25.917,1036 3.921,1037 16.034,1038 20.537,1040 32.099,1041 14.967,1042 1.863,1043 5.849,1044 27.833,1045 3.437,1046 17.204,1047 22.06,1048 15.838,1049 34.532,1050 16.048,1051 1.541,1052 5.208,1053 29.754,1054 2.992,1055 18.365,1056 23.566,1058 36.963,1059 17.106,1060 7929,1061 14406,1062 19.186,1063 29.597,1064 45.141,1065 46.808,1066 45.221,1067 44.896,1068 44.749,1069 63.924,1070 5.9,1071 135.112,1072 42.487,1073 5.505,1074 7.18,1075 6.655,1076 5.254,1077 5.315,1078 7.662,1079 5.9,1080 18.567,1081 5.005,1082 13.464,1083 1.557,1084 1.614,1085 1.559,1086 1.548,1087 1.543,1088 2.204,1089 0.203,1090 4.659,1091 1.465,1092 4.148,1093 4.176,1094 4.735,1095 4.106,1096 7.716,1097 4.066,1098 4.067,1099 4.05,1100 4.102,1101 4.032,1102 6.999,1103 3.986,1104 3.819,1105 3.834,1106 3.847,1107 3.729,1108 6.471,1109 3.699,1110 3.575,1111 3.587,1112 3.572,1113 3.483,1114 5.051,1115 3.457,1116 3.364,1117 3.407,1118 3.297,1119 3.207,1120 4.841,1121 3.217,1122 2.958,1123 3.016,1124 2.838,1125 2.817,1126 4.62,1127 2.815,1128 2.854,1129 2.925,1130 2.742,1131 2.748,1132 4.124,1133 2.739,1134 2.846,1135 2.907,1136 2.687,1137 2.735,1138 3.948,1139 2.715,1140 0.166,1141 0.179,1142 0.245,1143 0.144,1144 0.114,1145 4.802,1146 0.161,1147 5.18,1148 0.102,1149 7.111,1150 0.402,1151 4.184,1152 0.104,1153 3.315,1154 4.662,1155 2.95,1156 11.659,1157 3.005,1158 1.998,1159 2.004,1160 2.024,1161 2.066,1162 1.229,1163 2.093,1164 1.919,1165 1.899,1166 2.002,1167 2.01,1168 1.126,1169 2.008,1170 1.776,1171 1.758,1172 1.807,1173 1.911,1174 0.93,1175 1.922,1176 1.539,1177 1.537,1178 1.587,1179 1.669,1180 0.798,1181 1.71,1182 1.328,1183 1.276,1184 1.486,1185 1.533,1186 0.513,1187 1.526,1188 1.012,1189 0.976,1190 1.186,1191 1.235,1192 0.252,1193 1.219,1194 0.886,1195 0.821,1196 1.181,1197 1.062,1198 0.218,1199 1.107,1200 0.865,1201 0.812,1202 1.087,1203 1.036,1204 0.188,1205 1.073,1206 4.078,1208 5.442,1209 2.398,1210 6.989,1211 4.727,1212 8.612,1213 6.843,1214 10.271,1216 1.177,1221 9.598,1231 28.557,1232 70.836,1233 149.685,1234 180.905,1235 202.905,1236 204.905,1237 204.905,1238 46.022,1239 7.655,1240 95.94,1241 104.32,1242 23,1243 12.582,1244 4.644,1245 3.807,1246 38.195,1247 102,1248 90,1249 0.187,1250 177.68,1251 295.7,1252 425.299,1253 22264,1255 18.311,1256 0.704,1257 0.564,1258 18.561,1259 14.656,1260 12.398,1261 0.428,1262 0.336,1263 7.922,1264 11.248,1265 7.542,1266 6.248,1267 13.292,1268 9.738,1269 12.334,1270 0.287,1271 0.187,1272 13.721,1273 8.056,1274 9.698,1275 0.176,1276 0.095,1277 10.455,1278 5.222,1279 7.999,1280 0.113,1281 0.048,1282 8.515,1283 3.396,1284 6.509,1285 0.072,1286 0.025,1287 6.866,1288 2.232,1289 0.294,1290 86.225,1291 0.228,1292 25.142,1293 0.507,1294 144,1295 442.104,1296 188.559,1297 454.825,1298 616.76,1299 418,1300 170,1301 432.938,1302 219.904,1303 474.552,1304 684.13,1305 443,1306 5.509} {0 CHEMBL1910195,1 1.479,2 9.913,3 3.766,4 14.185,5 88.526,6 8.172,7 0.846,8 3.744,9 3.836,10 3.387,11 3.374,12 4.976,13 3.365,14 4.175,15 4.286,16 3.751,17 3.765,18 5.383,19 3.741,20 4.432,21 4.586,22 3.746,23 3.856,24 5.592,25 3.796,26 4.464,27 4.676,28 3.593,29 3.765,30 5.525,31 3.672,32 4.336,33 4.566,34 3.494,35 3.63,36 5.356,37 3.551,38 4.144,39 4.325,40 3.419,41 3.542,42 5.257,43 3.474,44 4.152,45 4.354,46 3.332,47 3.443,48 5.304,49 3.371,50 4.029,51 4.242,52 3.143,53 3.296,54 5.155,55 3.213,56 0.059,57 0.482,58 6.244,59 3.119,60 11.417,61 3.479,62 0.036,63 0.758,64 9.677,65 4.978,66 9.706,67 5.917,68 0.133,69 0.969,70 14.815,71 6.782,72 26.55,73 8.092,74 0.241,75 1.037,76 17.789,77 7.293,78 33.016,79 9.425,80 0.16,81 0.921,82 16.333,83 6.392,84 26.157,85 8.449,86 0.088,87 0.741,88 11.675,89 5.148,90 17.111,91 6.486,92 0.179,93 0.746,94 12.895,95 5.169,96 27.458,97 6.511,98 0.179,99 0.644,100 11.92,101 4.742,102 26.678,103 6.014,104 5,105 37,106 0.261,107 0.54,108 0.703,109 0.839,110 0.871,111 0.88,112 3.189,113 0.837,114 -3.42,115 -3.4,116 -3.25,119 51.4,133 9,134 4,135 2,136 2,143 2,159 10,162 2,166 8,168 13,172 2,176 5,178 12,182 3,185 1,186 1,187 4,190 8,194 3,199 3,202 7,206 2,211 4,213 6,217 1,220 1,222 4,224 7,232 1,234 1,237 7,246 1,247 2,250 6,255 696,256 15.687,257 15.687,258 15.687,259 15.687,260 15.687,261 13.152,262 4.313,263 9.169,264 15.877,265 12.863,266 12.863,267 12.863,268 12.863,269 12.863,270 9.085,271 2.326,272 4.412,273 13.201,274 3.73,275 2.144,276 1.224,277 0.453,278 0.27,279 0.216,280 3.889,283 1,284 1,285 506,286 2,288 44.042,289 196.36,291 86.85,295 1.49,296 18.333,297 1,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 49,307 228,308 4.534,309 3.103,310 6.403,311 4.072,312 3.092,313 4.467,315 9.998,316 3.03,317 4.276,318 2.904,319 6.17,320 3.871,321 2.879,322 3.953,324 9.176,325 2.854,326 3.96,327 2.663,328 5.873,329 3.549,330 2.566,331 3.527,333 8.143,334 2.522,335 3.671,336 2.49,337 5.047,338 3.246,339 2.285,340 3.113,342 6.106,343 2.188,344 3.482,345 2.268,346 4.962,347 3.052,348 2.092,349 2.844,351 5.823,352 1.999,353 3.08,354 1.656,355 4.49,356 2.576,357 1.616,358 2.347,360 4.464,361 1.547,362 3.005,363 1.52,364 4.394,365 2.493,366 1.516,367 2.244,369 4.246,370 1.478,371 2.623,372 1.174,373 4.058,374 2.112,375 1.143,376 1.681,378 3.199,379 1.105,380 2.526,381 1.037,382 3.47,383 2,384 1.03,385 1.539,386 2.463,387 1,388 2.5,389 1,390 3.414,391 1.982,392 1,393 1.5,394 2.275,395 0.977,396 1.945,397 0.538,398 3.159,399 1.436,400 0.469,401 0.685,402 1.178,403 0.452,404 1.178,405 0.124,406 2.59,407 0.794,408 -0.15,409 -0.189,411 -0.333,412 -0.14,413 0.97,414 -0.123,415 2.505,416 0.535,417 -0.397,418 -0.514,420 -1.021,421 -0.365,422 0.76,423 -0.586,424 2.345,425 0.311,426 -0.643,427 -0.861,429 -1.608,430 -0.607,431 0.613,432 -0.742,433 2,434 0.143,435 -0.821,436 -1.101,438 -2.308,439 -0.789,440 10.967,441 0.477,442 0.571,443 0.025,444 35.5,445 1.543,446 21,447 0.913,448 14.5,449 0.63,450 13.17,451 0.573,452 22.633,453 0.612,454 24.005,455 1.044,456 7.132,457 0.31,458 4.055,459 0.176,460 0.061,462 0.365,466 1.007,467 0.912,468 0.756,469 0.752,470 1.018,471 0.72,472 0.694,473 1.105,474 0.8,475 0.996,476 0.57,477 0.925,478 1.003,479 1.186,480 1.094,481 1.137,482 0.968,483 1.135,484 0.759,485 1,486 1.036,487 1.013,488 0.775,489 1.056,490 0.754,491 0.93,492 0.864,493 0.849,494 0.621,495 0.855,496 0.774,497 1.128,498 0.993,499 1.081,500 0.696,501 1.068,502 0.952,503 1.026,504 1.03,505 1.008,506 0.909,507 1.022,508 0.979,509 0.845,510 1.025,511 0.94,512 0.998,513 0.977,514 5,515 0.101,516 2.667,517 1.229,518 1.143,519 0.726,520 0.363,521 0.284,522 0.21,523 0.092,524 5999,525 16899,526 2.168,527 37.8,529 9,531 2,532 3,536 1.656,537 2.06,538 3.311,539 0.946,541 1,543 1,545 54.736,546 1.479,547 3.065,548 3.986,549 4.757,550 4.939,551 4.993,552 2.752,553 4.263,554 4.495,555 3.399,556 859.898,557 7.732,558 9625.95,559 1,560 1,561 1,562 1,563 192.75,564 1.302,565 4.469,566 0.192,567 0.01,568 0.072,569 0.035,570 0.039,571 0.027,572 0.015,573 0.013,574 0.012,575 0.007,576 0.422,577 0.5,578 1,579 0.503,580 107.3,581 -0.155,582 0.092,583 -0.009,584 0.148,585 -0.201,586 0.102,587 -0.042,588 -0.106,589 -0.045,590 -0.09,591 0.026,592 -0.071,593 -0.127,594 -0.213,595 -0.216,596 -0.195,597 -0.11,598 -0.218,599 0.041,600 0.001,601 -0.05,602 -0.041,603 -0.042,604 -0.061,605 -0.021,606 0.089,607 0.151,608 0.131,609 0.031,610 0.166,611 -0.049,612 -0.136,613 -0.082,614 -0.128,615 -0.02,616 -0.112,617 0.012,618 -0.02,619 -0.037,620 -0.045,621 0.012,622 -0.047,623 0.024,624 0.13,625 0.003,626 0.051,627 0.006,628 0.032,629 1.429,630 3.572,631 0.913,632 17.97,633 1.004,634 1.106,635 2.194,636 4.812,637 0.716,638 3.296,639 3.638,640 3.912,641 4.19,642 4.454,643 4.522,644 4.644,645 4.787,646 4.836,647 4.905,648 5.7,649 0.693,650 302.35,651 3.296,652 4.844,653 5.7,654 6.583,655 7.458,656 8.344,657 9.225,658 10.114,659 10.999,660 11.888,661 5.4,669 1,671 1,674 2,675 11,676 1,677 1,680 6,682 22,696 2,699 37,700 22,701 2,702 26,704 40,705 19,706 19,707 5,708 7,710 4,711 5,721 19,733 1,736 14,737 3,738 3,739 4,743 2,747 0.75,748 2,754 1,756 1,759 1,760 3,762 1,777 3,785 23,788 2,801 5.4,803 2,808 11.167,809 6.517,810 4.917,811 2.046,812 4.24,813 1.574,814 1.008,815 3.282,816 11.622,817 3.638,818 4.321,819 4.969,820 5.617,821 6.219,822 6.57,823 7.047,824 7.531,825 7.871,826 8.285,827 0.857,828 35,829 8.435,831 3.663,832 7.797,833 16.001,835 13.397,837 2.297,838 52.833,842 129.482,843 120.412,844 33.571,846 85.367,849 120.412,850 214.849,851 33.571,854 85.286,855 125.694,856 47.01,857 4.901,858 105.94,860 129.482,861 153.983,862 85.367,865 129.482,866 85.367,869 34.88,870 102.317,871 16.786,873 129.482,874 118.938,875 120.412,878 129.482,879 17.031,880 103.381,881 16.786,882 102.152,883 129.482,884 118.938,885 120.412,887 0.588,888 0.338,889 0.181,890 0.106,891 20,892 8,893 0.05,894 2,895 1,896 1.095,897 3.603,898 189.794,899 0.095,900 21,901 100.042,904 13.854,905 5.449,906 2.668,907 1.919,908 102.152,909 19.971,910 4.316,911 3.3,914 4.357,916 102.152,917 368.832,918 37,926 37.16,927 40.907,928 0.284,929 0.588,930 0.765,931 0.913,932 0.948,933 0.958,934 4.856,935 1.143,936 5.687,937 4.246,938 4.317,939 5.007,941 6.488,942 4.269,943 6.092,944 1.03,945 7.236,946 3.199,947 3.892,948 4.808,950 7.322,951 3.816,952 7.408,953 1,954 8.879,955 2.463,956 5.905,957 7.291,959 10.406,960 5.822,961 8.76,962 0.469,963 10.577,964 2.275,965 6.275,966 7.911,968 12.057,969 6.169,970 10.141,971 -0.15,972 12.309,973 1.178,974 7.762,975 9.844,977 14.637,978 7.648,979 11.543,980 -0.397,981 14.065,982 -0.333,983 8.506,984 10.874,986 16.634,987 8.373,988 12.962,989 -0.643,990 15.839,991 -1.021,992 9.77,993 12.559,995 19.027,996 9.627,997 3.092,998 -0.821,999 17.625,1000 -1.608,1001 10.698,1002 13.806,1004 21.176,1005 10.537,1006 2.879,1007 9.998,1008 19.422,1009 -2.308,1010 11.866,1011 15.375,1013 23.497,1014 11.692,1015 2.566,1016 9.176,1017 21.227,1018 4.467,1019 12.885,1020 16.736,1022 25.715,1023 12.693,1024 2.285,1025 8.143,1026 23.037,1027 3.953,1028 14.013,1029 18.253,1031 28.009,1032 13.806,1033 2.092,1034 6.106,1035 24.853,1036 3.527,1037 15.077,1038 19.673,1040 30.26,1041 14.851,1042 1.616,1043 5.823,1044 26.673,1045 3.113,1046 16.191,1047 21.168,1049 32.545,1050 15.948,1051 1.516,1052 4.464,1053 28.497,1054 2.844,1055 17.278,1056 22.62,1058 34.812,1059 17.016,1060 5622,1061 9522,1062 17.8,1063 26.489,1064 39.894,1065 39.369,1066 40.265,1067 39.454,1068 39.377,1069 55.799,1071 114.142,1072 38.303,1073 5.227,1074 5.103,1075 5.947,1076 5.111,1077 5.092,1078 7.467,1080 16.717,1081 5.03,1082 8.821,1083 1.534,1084 1.514,1085 1.549,1086 1.517,1087 1.515,1088 2.146,1090 4.39,1091 1.473,1092 4.145,1093 4.176,1094 4.108,1095 4.062,1096 6.474,1097 4.07,1098 3.953,1099 3.977,1100 3.905,1101 3.892,1102 6.468,1103 3.892,1104 3.717,1105 3.749,1106 3.66,1107 3.625,1108 4.992,1109 3.629,1110 3.381,1111 3.42,1112 3.311,1113 3.235,1114 4.809,1115 3.247,1116 2.975,1117 3.019,1118 2.901,1119 2.834,1120 4.55,1121 2.842,1122 2.959,1123 3,1124 2.839,1125 2.811,1126 4.128,1127 2.81,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.758,1133 2.715,1134 2.734,1135 2.797,1136 2.635,1137 2.552,1138 3.687,1139 2.565,1140 0.174,1141 0.119,1142 0.246,1143 0.157,1144 0.119,1145 4.534,1146 0.172,1147 3.103,1149 6.403,1150 0.385,1151 4.072,1152 0.117,1153 3.092,1154 4.467,1156 9.998,1157 3.03,1158 1.97,1159 1.948,1160 2.053,1161 2.054,1162 1.163,1163 2.055,1164 1.919,1165 1.899,1166 2.002,1167 2.008,1168 1.124,1169 2.007,1170 1.75,1171 1.72,1172 1.852,1173 1.867,1174 0.93,1175 1.865,1176 1.373,1177 1.326,1178 1.509,1179 1.565,1180 0.569,1181 1.553,1182 1.012,1183 0.976,1184 1.191,1185 1.244,1186 0.252,1187 1.221,1188 0.914,1189 0.88,1190 1.181,1191 1.128,1192 0.218,1193 1.111,1194 0.886,1195 0.821,1196 1.106,1197 1.062,1198 0.186,1199 1.107,1200 0.765,1201 0.706,1202 1.024,1203 0.988,1204 0.022,1205 1.01,1206 3.97,1208 5.303,1209 2.398,1210 6.828,1211 4.727,1212 8.434,1213 6.843,1214 10.082,1221 18.971,1231 25.633,1232 54.736,1233 113.412,1234 147.466,1235 175.995,1236 182.75,1237 184.75,1238 29.464,1239 7.382,1240 69.14,1241 69.14,1242 23,1243 12.418,1244 4.524,1245 3.585,1246 31.919,1247 78,1248 81,1249 0.201,1250 155.758,1251 257.4,1252 371.811,1253 15715,1255 15.811,1256 0.687,1257 0.53,1258 15.811,1259 12.192,1260 11.187,1261 0.43,1262 0.279,1263 7.191,1264 10.912,1265 7.04,1266 5.831,1267 11.187,1268 7.255,1269 10.377,1270 0.28,1271 0.148,1272 10.377,1273 5.464,1274 8.762,1275 0.179,1276 0.079,1277 8.762,1278 3.856,1279 7.3,1280 0.112,1281 0.041,1282 7.3,1283 2.67,1284 6.223,1285 0.073,1286 0.022,1287 6.223,1288 1.85,1289 0.313,1290 69.183,1291 0.237,1292 22.502,1293 0.558,1294 126,1295 340.277,1296 133.649,1297 341.031,1298 472.64,1299 318,1300 149,1301 355.427,1302 156.319,1303 366.205,1304 531.04,1305 345,1306 7.222} {0 CHEMBL1910196,1 1.445,2 10.583,3 3.913,4 15.308,5 92.569,6 8.415,7 0.815,8 3.734,9 3.828,10 3.411,11 3.407,12 4.997,13 3.394,14 4.169,15 4.281,16 3.76,17 3.796,18 5.357,19 3.766,20 4.422,21 4.578,22 3.78,23 3.897,24 5.588,25 3.834,26 4.463,27 4.673,28 3.646,29 3.802,30 5.591,31 3.714,32 4.34,33 4.567,34 3.522,35 3.655,36 5.413,37 3.58,38 4.137,39 4.321,40 3.433,41 3.58,42 5.227,43 3.506,44 4.138,45 4.344,46 3.381,47 3.498,48 5.288,49 3.426,50 4.033,51 4.242,52 3.22,53 3.356,54 5.267,55 3.279,56 0.031,57 0.476,58 5.474,59 2.843,60 10.218,61 3.221,62 0.023,63 0.747,64 8.772,65 4.592,66 9.131,67 5.468,68 0.074,69 0.972,70 13.469,71 6.432,72 20.991,73 7.79,74 0.197,75 1.072,76 16.681,77 6.981,78 33.828,79 8.931,80 0.153,81 0.951,82 15.875,83 6.243,84 33.496,85 7.941,86 0.073,87 0.743,88 11.058,89 4.982,90 16.843,91 6.26,92 0.074,93 0.762,94 11.882,95 5.037,96 18.188,97 6.445,98 0.194,99 0.688,100 11.27,101 4.506,102 36.418,103 5.557,104 6,105 38,106 0.252,107 0.563,108 0.737,109 0.862,110 0.872,111 0.872,112 3.229,113 0.834,114 -3.58,115 -3.55,116 -3.39,119 54.1,133 9,134 5,135 1,136 2,143 2,147 1,159 12,162 3,166 6,168 15,172 4,176 3,178 13,182 5,185 1,186 1,187 3,190 9,194 4,199 2,202 8,206 4,211 3,213 7,217 2,222 3,224 7,228 1,229 1,232 1,234 2,237 8,247 1,250 7,255 790,256 16.558,257 16.558,258 16.558,259 16.558,260 16.558,261 13.983,262 5.481,263 9.668,264 16.717,265 13.291,266 13.291,267 13.291,268 13.291,269 13.291,270 9.324,271 3.507,272 4.551,273 13.569,274 3.765,275 1.982,276 0.987,277 0.27,278 0.216,279 0.216,280 3.93,283 1,284 1,285 561,286 2.236,288 47.135,289 209.508,291 92.805,295 1.667,296 17.434,297 1,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 50.5,307 254,308 4.534,309 4.057,310 6.403,311 4.072,312 3.093,313 4.467,314 2.035,315 9.998,316 3.031,317 4.287,318 3.103,319 6.171,320 3.876,321 2.883,322 3.963,324 9.18,325 2.862,326 4.023,327 2.889,328 5.874,329 3.569,330 2.581,331 3.58,333 8.15,334 2.55,335 3.813,336 2.627,337 5.296,338 3.348,339 2.359,340 3.195,342 6.763,343 2.333,344 3.517,345 2.394,346 4.965,347 3.062,348 2.101,349 2.888,351 5.838,352 2.01,353 3.209,354 2.247,355 4.517,356 2.604,357 1.638,358 2.392,360 4.528,361 1.581,362 3.029,363 1.648,364 4.396,365 2.496,366 1.519,367 2.264,369 4.258,370 1.483,371 2.918,372 1.52,373 4.074,374 2.139,375 1.17,376 1.748,378 3.233,379 1.132,380 2.584,381 1.17,382 3.472,383 2,384 1.03,385 1.539,386 2.467,387 1,388 2.525,389 1.037,390 3.414,391 1.983,392 1,393 1.5,394 2.275,395 0.978,396 2.5,397 1,398 3.159,399 1.441,400 0.491,401 0.958,402 1.178,403 0.464,404 1.945,405 0.538,406 2.802,407 1.435,408 0.469,409 0.685,411 0.755,412 0.451,413 1.098,414 0.125,415 2.555,416 0.566,417 -0.386,418 -0.51,420 -0.822,421 -0.359,422 0.968,423 -0.123,424 2.353,425 0.528,426 -0.421,427 -0.613,429 -1.029,430 -0.402,431 0.751,432 -0.585,433 2.34,434 0.297,435 -0.668,436 -0.908,438 -1.682,439 -0.642,440 11.533,441 0.481,442 0.533,443 0.022,444 38.5,445 1.604,446 23.5,447 0.979,448 15,449 0.625,450 13.448,451 0.56,452 22.667,453 0.613,454 25.868,455 1.078,456 7.606,457 0.317,458 4.119,459 0.172,460 0.064,462 0.347,466 0.925,467 0.904,468 0.706,469 0.755,470 0.725,471 0.714,472 0.71,473 1.021,474 0.809,475 0.954,476 0.492,477 0.904,478 0.93,479 1.164,480 1.066,481 1.154,482 0.751,483 1.138,484 0.803,485 1.011,486 1.074,487 1.054,488 0.853,489 1.087,490 1.044,491 0.889,492 0.958,493 0.847,494 0.88,495 0.872,496 0.816,497 1.042,498 1.013,499 1.041,500 0.617,501 1.05,502 0.852,503 1.099,504 0.972,505 1.051,506 0.65,507 1.025,508 1.134,509 0.775,510 1.091,511 0.892,512 1.281,513 0.969,514 5,515 0.101,516 2.667,517 1.229,518 1.183,519 0.789,520 0.363,521 0.284,522 0.222,523 0.107,524 6776,525 19646,526 2.161,527 35.1,529 9,531 2,532 2,536 1.667,537 2.057,538 3.391,539 0.214,541 1,545 53.451,546 1.445,547 3.227,548 4.222,549 4.939,550 4.993,551 4.993,552 2.907,553 4.22,554 4.554,555 3.49,556 963.141,557 7.849,558 11201.1,560 1,561 1,562 1,563 192.75,564 1.281,565 4.532,566 0.185,567 0.008,568 0.07,569 0.033,570 0.038,571 0.028,572 0.014,573 0.012,574 0.011,575 0.007,576 0.407,577 0.5,578 1,579 0.681,580 114.186,581 -0.12,582 0.048,583 0.007,584 0.099,585 -0.075,586 0.074,587 -0.05,588 -0.077,589 -0.065,590 -0.08,592 -0.074,593 -0.093,594 -0.227,595 -0.189,596 -0.217,597 -0.05,598 -0.22,599 0.077,600 -0.015,601 -0.066,602 -0.07,603 -0.039,604 -0.085,605 -0.09,606 0.124,607 0.103,608 0.16,609 -0.049,610 0.163,611 -0.068,612 -0.089,613 -0.08,614 -0.074,615 -0.041,616 -0.078,617 -0.016,618 -0.114,619 0.027,620 -0.068,621 0.066,622 -0.022,623 0.059,624 0.226,625 -0.047,626 0.105,627 -0.041,628 0.032,629 1.43,630 3.59,631 0.875,632 20.569,633 1.001,634 1.102,635 2.349,636 5.517,637 0.737,638 3.332,639 3.664,640 3.951,641 4.22,642 4.477,643 4.564,644 4.7,645 4.82,646 4.883,647 4.963,648 6.015,649 0.714,650 311.36,651 3.332,652 4.875,653 5.733,654 6.613,655 7.488,656 8.373,657 9.255,658 10.142,659 11.027,660 11.916,661 8.1,669 1,670 1,671 1,674 2,675 11,676 1,677 1,680 6,682 22,683 1,696 1,699 37,700 23,701 2,702 27,704 40,705 20,706 19,707 5,708 7,710 4,711 5,720 1,721 19,733 1,736 13,737 3,738 2,739 4,743 3,747 0.75,748 1,754 1,756 1,759 1,760 3,762 1,777 3,785 24,788 1,796 1,798 1,799 1,801 2.7,803 1,808 11.667,809 6.767,810 5.25,811 2.108,812 4.463,813 1.597,814 1.029,815 3.44,816 11.944,817 3.714,818 4.36,819 5.03,820 5.664,821 6.259,822 6.639,823 7.136,824 7.578,825 7.938,826 8.368,827 1,828 37,829 8.776,831 3.777,832 7.806,833 16.634,835 13.829,837 2.306,838 55.333,842 129.482,843 140.199,844 64.63,846 42.683,849 140.199,850 172.165,851 64.63,854 85.286,855 99.613,856 81.255,857 4.901,858 105.94,860 129.482,861 204.829,862 42.683,865 129.482,866 42.683,869 65.94,870 122.104,871 16.786,873 129.482,874 107.314,875 140.199,878 129.482,879 20.216,880 103.381,881 33.387,882 90.528,883 129.482,884 107.314,885 140.199,887 0.582,888 0.343,889 0.183,890 0.104,891 20,892 8,893 0.05,894 2,895 1,896 1.095,897 3.7,898 199.707,899 0.095,900 21,901 106.039,904 14.352,905 5.752,906 2.738,907 1.917,908 90.528,909 20.391,910 4.333,911 3.307,914 4.778,916 59.469,917 376.995,918 40,926 37.051,927 40.78,928 0.277,929 0.62,930 0.81,931 0.948,932 0.958,933 0.958,934 4.938,935 1.17,936 5.714,937 4.258,938 4.344,939 5.047,940 2.228,941 6.515,942 4.305,943 6.176,944 1.03,945 7.263,946 3.233,947 3.892,948 4.808,950 7.357,951 3.842,952 7.491,953 1,954 8.907,955 2.467,956 5.932,957 7.327,958 3.563,959 10.434,960 5.865,961 8.841,962 0.491,963 10.605,964 2.275,965 6.293,966 7.935,968 12.088,969 6.214,970 10.22,971 0.469,972 12.338,973 1.178,974 7.788,975 9.877,976 4.962,977 14.66,978 7.694,979 11.619,980 -0.386,981 14.094,982 0.755,983 8.528,984 10.902,986 16.655,987 8.42,988 13.035,989 -0.421,990 15.867,991 -0.822,992 9.793,993 12.587,994 6.378,995 19.042,996 9.671,997 3.093,998 -0.668,999 17.653,1000 -1.029,1001 10.719,1002 13.831,1004 21.19,1005 10.58,1006 2.883,1007 9.998,1008 19.448,1009 -1.682,1010 11.886,1011 15.398,1012 7.797,1013 23.507,1014 11.732,1015 2.581,1016 9.18,1017 21.251,1018 4.467,1019 12.904,1020 16.757,1022 25.724,1023 12.731,1024 2.359,1025 8.15,1026 23.06,1027 3.963,1028 14.031,1029 18.271,1030 9.217,1031 28.015,1032 13.842,1033 2.101,1034 6.763,1035 24.874,1036 3.58,1037 15.094,1038 19.69,1040 30.265,1041 14.885,1042 1.638,1043 5.838,1044 26.692,1045 3.195,1046 16.206,1047 21.183,1048 10.638,1049 32.549,1050 15.98,1051 1.519,1052 4.528,1053 28.514,1054 2.888,1055 17.292,1056 22.633,1058 34.816,1059 17.046,1060 6383,1061 10955,1062 18.493,1063 27.279,1064 42.211,1065 43.471,1066 41.555,1067 40.676,1068 40.664,1069 58.359,1070 4.069,1071 117.248,1072 39.75,1073 5.228,1074 6.057,1075 5.956,1076 5.111,1077 5.093,1078 7.467,1079 4.069,1080 16.718,1081 5.031,1082 9.195,1083 1.563,1084 1.61,1085 1.539,1086 1.507,1087 1.506,1088 2.161,1089 0.151,1090 4.343,1091 1.472,1092 4.146,1093 4.176,1094 4.109,1095 4.063,1096 6.82,1097 4.071,1098 3.963,1099 3.989,1100 3.918,1101 3.91,1102 6.471,1103 3.908,1104 3.734,1105 3.768,1106 3.684,1107 3.65,1108 4.994,1109 3.654,1110 3.388,1111 3.427,1112 3.324,1113 3.251,1114 4.817,1115 3.262,1116 3.156,1117 3.206,1118 3.125,1119 3.008,1120 4.616,1121 3.029,1122 2.961,1123 3.019,1124 2.841,1125 2.816,1126 4.128,1127 2.813,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.782,1133 2.715,1134 2.758,1135 2.807,1136 2.672,1137 2.635,1138 3.707,1139 2.639,1140 0.168,1141 0.15,1142 0.237,1143 0.151,1144 0.115,1145 4.534,1146 0.165,1147 4.057,1148 0.075,1149 6.403,1150 0.37,1151 4.072,1152 0.112,1153 3.093,1154 4.467,1155 2.035,1156 9.998,1157 3.031,1158 1.981,1159 1.959,1160 2.062,1161 2.057,1162 1.171,1163 2.06,1164 1.919,1165 1.899,1166 2.002,1167 2.009,1168 1.125,1169 2.007,1170 1.771,1171 1.74,1172 1.864,1173 1.876,1174 0.942,1175 1.876,1176 1.387,1177 1.341,1178 1.514,1179 1.57,1180 0.576,1181 1.558,1182 1.08,1183 1.038,1184 1.191,1185 1.258,1186 0.252,1187 1.232,1188 1.012,1189 0.973,1190 1.181,1191 1.242,1192 0.218,1193 1.219,1194 0.886,1195 0.821,1196 1.175,1197 1.062,1198 0.204,1199 1.107,1200 0.796,1201 0.743,1202 1.043,1203 0.992,1204 0.034,1205 1.017,1206 4.007,1208 5.333,1209 2.398,1210 6.855,1211 4.727,1212 8.461,1213 6.843,1214 10.108,1221 9.59,1229 8.896,1230 2.121,1231 26.413,1232 53.451,1233 119.412,1234 156.22,1235 182.75,1236 184.75,1237 184.75,1238 30.748,1239 7.481,1240 72.7,1241 72.7,1242 23,1243 12.446,1244 4.585,1245 3.807,1246 33.963,1247 86,1248 96,1249 0.194,1250 162.294,1251 271.63,1252 387.757,1253 17896,1255 16.518,1256 0.688,1257 0.529,1258 16.518,1259 12.692,1260 11.725,1261 0.434,1262 0.278,1263 7.448,1264 11.477,1265 7.28,1266 6.041,1267 11.725,1268 7.505,1269 10.546,1270 0.278,1271 0.148,1272 10.546,1273 5.606,1274 9.17,1275 0.18,1276 0.078,1277 9.17,1278 4.003,1279 7.61,1280 0.114,1281 0.041,1282 7.61,1283 2.753,1284 6.334,1285 0.073,1286 0.022,1287 6.334,1288 1.897,1289 0.304,1290 72.187,1291 0.233,1292 23.445,1293 0.533,1294 130,1295 351.773,1296 136.239,1297 358.598,1298 495.64,1299 334,1300 154,1301 369.805,1302 160.324,1303 383.937,1304 553.72,1305 361,1306 5.796} {0 CHEMBL1910197,1 1.65,2 10.846,3 3.56,4 12.671,5 100.586,6 8.677,7 0.759,8 3.861,9 3.939,10 3.71,11 3.541,12 5.017,13 3.493,14 4.349,15 4.453,16 3.988,17 3.923,18 5.721,19 3.878,20 4.594,21 4.733,22 3.977,23 4.022,24 5.843,25 3.951,26 4.628,27 4.815,28 3.832,29 3.947,30 5.812,31 3.853,32 4.553,33 4.783,34 3.663,35 3.801,36 5.622,37 3.704,38 4.296,39 4.495,40 3.614,41 3.7,42 5.335,43 3.599,44 4.26,45 4.437,46 3.652,47 3.646,48 5.448,49 3.564,50 4.281,51 4.462,52 3.547,53 3.565,54 5.586,55 3.476,56 0.097,57 0.572,58 8.811,59 4.183,60 17.822,61 4.2,62 0.2,63 0.921,64 14.958,65 6.895,66 43.193,67 7.407,68 0.283,69 1.145,70 19.26,71 8.631,72 51.366,73 9.216,74 0.34,75 1.215,76 21.832,77 9.081,78 47.694,79 10.666,80 0.32,81 1.121,82 21.294,83 8.327,84 54.049,85 10.406,86 0.152,87 0.875,88 14.858,89 6.602,90 24.621,91 8.263,92 0.151,93 0.864,94 16.04,95 6.417,96 20.923,97 7.45,98 0.378,99 0.83,100 15.132,101 6.187,102 57.676,103 7.009,104 18,105 43,106 0.282,107 0.595,108 0.745,109 0.852,110 0.861,111 0.861,112 3.304,113 1.021,114 -3.53,115 -3.51,116 -3.35,119 47.6,123 1,133 9,134 4,135 2,136 2,143 2,159 10,161 1,162 2,166 6,168 13,172 6,176 3,178 12,182 7,185 1,186 1,187 3,190 8,194 5,199 2,202 7,206 4,211 3,213 6,217 3,222 3,224 7,228 2,229 2,232 1,234 1,237 7,247 1,250 6,255 942,256 17.16,257 17.16,258 17.16,259 17.16,260 17.16,261 14.375,262 5.309,263 9.8,264 17.553,265 14.338,266 14.338,267 14.338,268 14.338,269 14.338,270 10.07,271 3.647,272 4.68,273 15.025,274 3.743,275 1.907,276 1.031,277 0.399,278 0.351,279 0.351,280 3.998,283 1,284 1,285 615,286 3.162,288 53.321,289 235.804,291 104.717,295 1.781,296 29.778,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 56,307 282,308 4.802,309 5.18,310 7.111,311 4.184,312 3.315,313 4.662,314 2.95,315 11.659,316 3.032,317 4.534,318 3.103,319 6.403,320 4.069,321 3.091,322 4.467,324 9.997,325 2.896,326 4.255,327 2.892,328 6.165,329 3.843,330 2.855,331 3.921,333 9.162,334 2.762,335 3.914,336 2.666,337 5.871,338 3.516,339 2.532,340 3.437,342 8.134,343 2.487,344 3.549,345 2.537,346 4.966,347 3.083,348 2.124,349 2.992,351 5.849,352 2.028,353 3.346,354 2.282,355 4.74,356 2.839,357 1.863,358 2.685,360 5.208,361 1.81,362 3.04,363 1.703,364 4.45,365 2.513,366 1.541,367 2.303,369 4.337,370 1.496,371 2.959,372 1.523,373 4.391,374 2.435,375 1.473,376 2.158,378 4.161,379 1.411,380 2.582,381 1.24,382 4.056,383 2.06,384 1.083,385 1.615,386 3.138,387 1.055,388 2.525,389 1.038,390 3.471,391 2,392 1.028,393 1.537,394 2.458,395 1,396 2.5,397 1,398 3.414,399 1.979,400 1,401 1.5,402 2.275,403 0.975,404 1.945,405 0.731,406 3.159,407 1.436,408 0.469,409 0.685,411 1.178,412 0.452,413 1.054,414 0.538,415 2.826,416 0.615,417 -0.346,418 -0.46,420 -0.859,421 -0.326,422 1,423 -0.055,424 2.557,425 0.533,426 -0.402,427 -0.519,429 -1.035,430 -0.37,431 0.965,432 -0.123,433 2.364,434 0.298,435 -0.664,436 -0.89,438 -1.728,439 -0.633,440 12.633,441 0.486,442 0.86,443 0.033,444 39.75,445 1.529,446 23.5,447 0.904,448 16.25,449 0.625,450 16.616,451 0.639,452 26.367,453 0.628,454 29.064,455 1.118,456 7.685,457 0.296,458 4.713,459 0.181,460 0.119,461 0.066,462 0.317,466 0.629,467 1.018,468 0.813,469 1.01,470 0.755,471 0.794,472 0.67,473 1.075,474 0.997,475 1.06,476 0.555,477 0.894,478 1.153,479 1.122,480 1.087,481 1.052,482 1.123,483 1.1,484 0.869,485 1.055,486 1.004,487 1.03,488 0.857,489 1.118,490 0.879,491 0.877,492 0.735,493 0.732,494 0.804,495 0.881,496 0.558,497 0.983,498 0.745,499 0.858,500 0.464,501 0.953,502 0.745,503 1.165,504 1.016,505 1.138,506 0.605,507 1.035,508 1.109,509 0.884,510 0.943,511 0.862,512 1.215,513 1.026,514 7,515 0.127,516 3.556,517 1.729,518 1.263,519 0.969,520 0.527,521 0.378,522 0.305,523 0.218,524 8342,525 26262,526 2.092,527 38.1,529 12,531 2,532 2,536 1.688,537 1.938,538 3.417,539 0.251,541 1,545 69.284,546 1.65,547 3.485,548 4.362,549 4.993,550 5.041,551 5.041,552 2.921,553 3.69,554 4.672,555 3.587,556 1165.65,557 8.078,558 14515.7,559 1,560 1,562 1,563 226.477,564 1.619,565 4.616,566 0.241,567 0.008,568 0.083,569 0.042,570 0.036,571 0.032,572 0.019,573 0.013,574 0.013,575 0.011,576 0.499,577 0.5,578 1,579 0.777,580 127.639,581 0.024,582 0.026,583 0.175,584 0.035,585 -0.182,586 0.078,587 0.092,588 -0.059,589 -0.076,590 -0.074,591 0.205,592 -0.006,593 -0.197,594 -0.149,595 -0.228,596 -0.128,597 -0.145,598 -0.191,599 -0.028,600 -0.074,601 -0.143,602 -0.126,603 -0.052,604 -0.153,605 -0.072,606 0.093,607 0.089,608 0.133,609 -0.061,610 0.133,611 0.011,612 -0.012,613 0.091,614 0.049,615 0.009,616 0.047,617 -0.006,618 -0.149,619 -0.019,620 -0.145,621 0.066,622 -0.059,623 0.036,624 0.096,625 -0.053,626 0.044,627 -0.065,628 -0.08,629 4.129,630 4.595,631 0.808,632 23.976,633 1.011,634 1.106,635 2.302,636 5.299,637 0.723,638 3.401,639 3.784,640 4.025,641 4.277,642 4.522,643 4.644,644 4.804,645 4.883,646 4.97,647 5.069,648 6.453,649 0.692,650 364.45,651 3.401,652 4.977,653 5.832,654 6.73,655 7.602,656 8.5,657 9.379,658 10.276,659 11.159,660 12.055,661 4.8,669 1,671 1,674 2,675 11,676 1,677 1,680 6,682 22,696 1,699 42,700 24,701 2,702 29,704 45,705 20,706 19,707 5,708 7,710 4,711 5,721 19,722 1,724 2,727 1,728 2,732 1,733 1,736 16,737 4,738 2,739 6,740 1,743 2,747 0.75,748 3,754 1,756 1,759 1,760 3,762 1,777 3,779 1,781 1,785 26,787 1,788 1,801 7.1,803 1,804 2,808 13.417,809 7.817,810 5.417,811 2.26,812 4.458,813 1.582,814 1.027,815 3.967,816 12.112,817 3.761,818 4.48,819 5.068,820 5.695,821 6.284,822 6.682,823 7.19,824 7.609,825 7.981,826 8.419,827 1,828 41,829 9.731,831 4.427,832 7.952,833 18.101,835 15.418,837 2.452,838 63.75,841 1,842 164.795,843 135.199,844 33.571,846 86.996,848 6.046,849 129.153,850 251.792,851 33.571,852 7.19,854 91.332,855 127.324,856 48.561,857 4.901,858 141.253,860 164.795,861 162.724,862 86.996,863 6.046,865 164.795,866 86.996,869 34.88,870 111.058,871 22.831,873 164.795,874 120.567,875 135.199,877 6.046,878 164.795,879 18.581,880 110.571,881 16.786,882 103.782,883 164.795,884 120.567,885 135.199,887 0.603,888 0.337,889 0.171,890 0.094,891 23,892 10,893 0.067,894 3,895 1,896 1.095,897 3.793,898 223.806,899 0.095,900 21,901 116.211,903 1,904 16.676,905 6.186,906 3.339,907 1.851,908 103.782,909 19.443,910 4.309,911 3.281,914 4.09,916 59.469,917 420.561,918 42,921 -3.212,922 23.189,926 42.447,927 46.451,928 0.306,929 0.646,930 0.809,931 0.926,932 0.935,933 0.935,934 5.007,935 1.473,936 5.872,937 4.337,938 4.466,939 5.168,940 2.913,941 6.73,942 4.377,943 6.286,944 1.083,945 7.47,946 4.161,947 4.29,948 5.27,950 7.881,951 4.079,952 7.653,953 1.028,954 9.175,955 3.138,956 6.163,957 7.556,958 5.027,959 10.879,960 5.961,961 9.059,962 1,963 10.944,964 2.458,965 6.758,966 8.442,968 12.812,969 6.414,970 10.497,971 0.469,972 12.753,973 2.275,974 8.174,975 10.254,976 7.185,977 15.394,978 7.826,979 11.957,980 -0.346,981 14.59,982 1.178,983 9.093,984 11.483,986 17.622,987 8.61,988 13.434,989 -0.402,990 16.448,991 -0.859,992 10.344,993 13.114,994 9.348,995 20.083,996 9.83,997 3.315,998 -0.664,999 18.322,1000 -1.035,1001 11.402,1002 14.499,1004 22.428,1005 10.768,1006 3.091,1007 11.659,1008 20.207,1009 -1.728,1010 12.594,1011 16.058,1012 11.511,1013 24.858,1014 11.906,1015 2.855,1016 9.997,1017 22.103,1018 4.662,1019 13.713,1020 17.515,1022 27.253,1023 12.918,1024 2.532,1025 9.162,1026 24.006,1027 4.467,1028 14.886,1029 19.047,1030 13.675,1031 29.681,1032 14.02,1033 2.124,1034 8.134,1035 25.917,1036 3.921,1037 16.034,1038 20.537,1040 32.099,1041 15.068,1042 1.863,1043 5.849,1044 27.833,1045 3.437,1046 17.204,1047 22.06,1048 15.838,1049 34.532,1050 16.157,1051 1.541,1052 5.208,1053 29.754,1054 2.992,1055 18.365,1056 23.566,1058 36.963,1059 17.223,1060 7929,1061 14185,1062 19.186,1063 30.352,1064 45.141,1065 46.808,1066 45.221,1067 44.907,1068 44.749,1069 63.924,1070 5.9,1071 135.112,1072 42.803,1073 5.505,1074 7.18,1075 6.655,1076 5.225,1077 5.315,1078 7.662,1079 5.9,1080 18.567,1081 5.032,1082 13.464,1083 1.557,1084 1.614,1085 1.559,1086 1.549,1087 1.543,1088 2.204,1089 0.203,1090 4.659,1091 1.476,1092 4.154,1093 4.18,1094 4.735,1095 4.114,1096 7.716,1097 4.079,1098 4.067,1099 4.051,1100 4.105,1101 4.037,1102 6.999,1103 3.987,1104 3.842,1105 3.848,1106 3.859,1107 3.786,1108 6.471,1109 3.751,1110 3.58,1111 3.589,1112 3.579,1113 3.507,1114 4.994,1115 3.467,1116 3.366,1117 3.408,1118 3.298,1119 3.217,1120 4.817,1121 3.225,1122 2.961,1123 3.019,1124 2.842,1125 2.817,1126 4.614,1127 2.814,1128 2.854,1129 2.925,1130 2.746,1131 2.747,1132 4.128,1133 2.738,1134 2.85,1135 2.912,1136 2.687,1137 2.735,1138 3.788,1139 2.715,1140 0.166,1141 0.179,1142 0.245,1143 0.144,1144 0.114,1145 4.802,1146 0.161,1147 5.18,1148 0.102,1149 7.111,1150 0.402,1151 4.184,1152 0.105,1153 3.315,1154 4.662,1155 2.95,1156 11.659,1157 3.032,1158 2.014,1159 2.016,1160 2.055,1161 2.072,1162 1.245,1163 2.1,1164 1.919,1165 1.9,1166 2.002,1167 2.01,1168 1.127,1169 2.008,1170 1.828,1171 1.821,1172 1.858,1173 1.92,1174 1.04,1175 1.947,1176 1.54,1177 1.539,1178 1.587,1179 1.669,1180 0.81,1181 1.71,1182 1.34,1183 1.292,1184 1.498,1185 1.535,1186 0.556,1187 1.533,1188 1.012,1189 0.975,1190 1.191,1191 1.243,1192 0.252,1193 1.221,1194 0.886,1195 0.821,1196 1.181,1197 1.062,1198 0.218,1199 1.107,1200 0.865,1201 0.812,1202 1.087,1203 1.04,1204 0.212,1205 1.076,1206 4.078,1208 5.442,1209 2.398,1210 6.989,1211 4.727,1212 8.612,1213 6.843,1214 10.271,1216 1.192,1221 9.607,1231 29.062,1232 69.284,1233 146.384,1234 183.193,1235 209.722,1236 211.722,1237 211.722,1238 45.464,1239 7.655,1240 83.05,1241 91.43,1242 23,1243 12.582,1244 4.644,1245 3.807,1246 38.195,1247 102,1248 90,1249 0.187,1250 180.478,1251 302,1252 432.126,1253 22264,1255 18.311,1256 0.704,1257 0.569,1258 18.561,1259 14.787,1260 12.398,1261 0.428,1262 0.34,1263 8.067,1264 11.308,1265 7.668,1266 6.359,1267 13.292,1268 9.869,1269 12.334,1270 0.287,1271 0.191,1272 13.721,1273 8.229,1274 9.698,1275 0.176,1276 0.098,1277 10.455,1278 5.4,1279 7.999,1280 0.113,1281 0.05,1282 8.515,1283 3.541,1284 6.509,1285 0.072,1286 0.026,1287 6.866,1288 2.361,1289 0.294,1290 85.817,1291 0.228,1292 25.142,1293 0.507,1294 144,1295 422.459,1296 186.505,1297 437.797,1298 593.48,1299 402,1300 170,1301 414.121,1302 217.489,1303 457.813,1304 658.24,1305 427,1306 6.456} {0 CHEMBL1910198,1 1.561,2 9.913,3 3.473,4 12.06,5 85.625,6 8.426,7 0.846,8 3.729,9 3.823,10 3.395,11 3.334,12 4.985,13 3.339,14 4.156,15 4.269,16 3.762,17 3.712,18 5.402,19 3.705,20 4.4,21 4.56,22 3.76,23 3.781,24 5.614,25 3.744,26 4.398,27 4.608,28 3.6,29 3.668,30 5.516,31 3.605,32 4.246,33 4.467,34 3.499,35 3.532,36 5.338,37 3.486,38 4.083,39 4.258,40 3.43,41 3.462,42 5.277,43 3.419,44 4.08,45 4.278,46 3.331,47 3.387,48 5.286,49 3.33,50 3.976,51 4.183,52 3.138,53 3.274,54 5.114,55 3.197,56 0.079,57 0.506,58 5.72,59 2.923,60 11.954,61 3.114,62 0.068,63 0.796,64 8.816,65 4.58,66 9.929,67 5.239,68 0.238,69 1.005,70 13.911,71 6.078,72 30.443,73 6.988,74 0.293,75 1.006,76 16.172,77 6.239,78 34.673,79 7.831,80 0.205,81 0.871,82 14.293,83 5.262,84 27.045,85 6.711,86 0.175,87 0.733,88 10.38,89 4.351,90 21.684,91 5.287,92 0.241,93 0.714,94 11.415,95 4.486,96 28.398,97 5.604,98 0.186,99 0.616,100 10.715,101 4.365,102 23.63,103 5.494,104 5,105 37,106 0.277,107 0.575,108 0.715,109 0.834,110 0.867,111 0.877,112 3.189,113 0.822,114 -2.67,115 -2.69,116 -2.62,119 50,133 8,134 2,135 2,136 2,137 2,143 2,159 7,162 1,166 7,168 8,171 1,172 4,174 1,176 4,178 5,182 6,185 1,186 1,187 3,194 5,199 2,202 1,206 3,209 1,211 2,213 3,217 1,220 2,222 2,224 6,232 1,237 7,246 1,247 2,250 6,255 696,256 15.687,257 15.687,258 15.687,259 15.687,260 15.687,261 13.152,262 4.313,263 9.169,264 15.931,265 12.863,266 12.863,267 12.863,268 12.863,269 12.863,270 9.085,271 2.326,272 4.412,273 13.303,274 3.609,275 1.923,276 1.132,277 0.465,278 0.278,279 0.222,280 3.889,283 1,284 1,285 506,286 2,288 44.042,289 196.36,291 86.85,295 1.49,296 21.097,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 49.5,307 228,308 4.534,309 3.103,310 6.403,311 4.064,312 3.092,313 4.467,315 9.998,316 3.004,317 4.276,318 2.904,319 6.17,320 3.858,321 2.879,322 3.953,324 9.176,325 2.818,326 3.96,327 2.663,328 5.873,329 3.54,330 2.566,331 3.527,333 8.143,334 2.496,335 3.671,336 2.49,337 5.047,338 3.241,339 2.285,340 3.113,342 6.106,343 2.177,344 3.482,345 2.268,346 4.962,347 3.049,348 2.092,349 2.844,351 5.823,352 1.993,353 3.08,354 1.656,355 4.49,356 2.571,357 1.616,358 2.347,360 4.464,361 1.539,362 3.005,363 1.52,364 4.394,365 2.492,366 1.516,367 2.244,369 4.246,370 1.477,371 2.623,372 1.174,373 4.058,374 2.101,375 1.143,376 1.681,378 3.199,379 1.093,380 2.526,381 1.037,382 3.47,383 2,384 1.03,385 1.539,386 2.463,387 1,388 2.5,389 1,390 3.414,391 1.95,392 1,393 1.5,394 2.275,395 0.946,396 1.945,397 0.538,398 3.159,399 1.436,400 0.469,401 0.685,402 1.178,403 0.451,404 1.178,405 0.124,406 2.59,407 0.789,408 -0.15,409 -0.189,411 -0.333,412 -0.139,413 0.97,414 -0.123,415 2.505,416 0.533,417 -0.397,418 -0.514,420 -1.021,421 -0.364,422 0.76,423 -0.586,424 2.345,425 0.297,426 -0.643,427 -0.861,429 -1.608,430 -0.597,431 0.613,432 -0.742,433 2,434 0.122,435 -0.821,436 -1.101,438 -2.308,439 -0.772,440 10.867,441 0.472,442 0.571,443 0.025,444 36,445 1.565,446 21,447 0.913,448 15,449 0.652,450 12.865,451 0.559,452 22.733,453 0.631,454 24.31,455 1.057,456 7.213,457 0.314,458 3.974,459 0.173,460 0.061,462 0.368,466 1.012,467 1.009,468 0.732,469 0.78,470 1.023,471 0.72,472 0.74,473 1.238,474 0.771,475 1.041,476 0.591,477 0.931,478 1.034,479 1.103,480 1.077,481 1.083,482 1,483 1.089,484 0.874,485 1.056,486 1.034,487 0.992,488 0.847,489 1.027,490 0.89,491 0.99,492 0.883,493 0.831,494 0.702,495 0.829,496 0.818,497 1.115,498 1.009,499 1.033,500 0.721,501 1.042,502 0.814,503 0.926,504 1.02,505 0.962,506 0.771,507 1.006,508 0.843,509 0.82,510 1.034,511 0.989,512 0.856,513 1.031,514 5,515 0.101,516 2.667,517 1.229,518 1.143,519 0.726,520 0.363,521 0.284,522 0.21,523 0.092,524 5999,525 17505,526 2.168,527 36.1,529 8,531 2,532 3,536 1.656,537 2.06,538 3.311,539 0.989,541 1,543 1,545 56.198,546 1.561,547 3.247,548 4.038,549 4.705,550 4.892,551 4.948,552 2.752,553 4.263,554 4.495,555 3.399,556 859.898,557 7.732,558 9625.95,559 1,560 1,561 1,562 1,563 186.117,564 1.302,565 4.469,566 0.192,567 0.01,568 0.072,569 0.035,570 0.039,571 0.027,572 0.015,573 0.013,574 0.012,575 0.007,576 0.422,577 0.5,578 1,579 0.503,580 107.3,581 -0.169,582 0.018,583 -0.011,584 0.124,585 -0.213,586 0.092,587 -0.056,588 -0.208,589 -0.032,590 -0.138,591 0.019,592 -0.092,593 -0.097,594 -0.088,595 -0.19,596 -0.154,597 -0.108,598 -0.189,599 -0.004,600 -0.04,601 -0.038,602 -0.035,603 -0.064,604 -0.044,605 -0.082,606 0.045,607 0.127,608 0.126,609 -0.003,610 0.166,611 -0.013,612 -0.084,613 -0.109,614 -0.102,615 -0.002,616 -0.117,617 0.092,618 0.083,619 -0.043,620 -0.004,621 0.075,622 -0.036,623 0.034,624 0.123,625 -0.026,626 0.013,627 0.029,628 -0.005,629 1.451,630 3.557,631 0.913,632 17.97,633 1.011,634 1.111,635 1.442,636 2.079,637 0.715,638 3.296,639 3.638,640 3.912,641 4.19,642 4.454,643 4.522,644 4.644,645 4.787,646 4.836,647 4.905,648 5.7,649 0.698,650 303.34,651 3.296,652 4.844,653 5.7,654 6.583,655 7.458,656 8.344,657 9.225,658 10.114,659 10.999,660 11.888,661 8.3,669 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,696 2,699 36,700 22,701 2,702 26,704 39,705 18,706 18,707 5,708 7,710 4,711 5,721 18,732 1,733 1,736 13,737 4,738 3,739 5,743 3,747 0.75,748 2,751 1,756 1,759 1,760 3,762 1,777 3,785 23,788 2,801 5.6,803 2,808 11.167,809 6.383,810 4.917,811 1.979,812 4.24,813 1.574,814 1.004,815 3.246,816 11.622,817 3.638,818 4.321,819 4.969,820 5.617,821 6.219,822 6.57,823 7.047,824 7.531,825 7.871,826 8.285,827 0.857,828 35,829 8.429,831 3.665,832 7.841,833 15.871,835 13.196,837 2.341,838 53.833,842 117.711,843 110.078,844 50.357,846 85.367,849 110.078,850 203.078,851 50.357,854 75.81,855 142.48,856 46.152,857 4.901,858 94.169,860 117.711,861 160.434,862 85.367,865 117.711,866 85.367,869 40.394,870 86.469,871 33.571,873 117.711,874 135.723,875 110.078,878 117.711,879 16.173,880 93.905,881 16.786,882 118.938,883 117.711,884 135.723,885 110.078,887 0.588,888 0.338,889 0.181,890 0.106,891 20,892 8,893 0.051,894 2,895 1,896 1.095,897 3.603,898 189.794,899 0.095,900 21,901 100.042,904 13.794,905 5.413,906 2.647,907 1.839,908 118.938,909 17.359,910 8.876,911 3.238,914 3.586,916 102.152,917 363.512,918 37,926 36.378,927 39.99,928 0.302,929 0.628,930 0.781,931 0.91,932 0.946,933 0.957,934 4.856,935 1.143,936 5.687,937 4.246,938 4.317,939 5.007,941 6.488,942 4.252,943 6.092,944 1.03,945 7.236,946 3.199,947 3.892,948 4.808,950 7.322,951 3.789,952 7.408,953 1,954 8.879,955 2.463,956 5.905,957 7.291,959 10.406,960 5.786,961 8.76,962 0.469,963 10.577,964 2.275,965 6.275,966 7.911,968 12.057,969 6.12,970 10.141,971 -0.15,972 12.309,973 1.178,974 7.762,975 9.844,977 14.637,978 7.591,979 11.543,980 -0.397,981 14.065,982 -0.333,983 8.506,984 10.874,986 16.634,987 8.303,988 12.962,989 -0.643,990 15.839,991 -1.021,992 9.77,993 12.559,995 19.027,996 9.548,997 3.092,998 -0.821,999 17.625,1000 -1.608,1001 10.698,1002 13.806,1004 21.176,1005 10.446,1006 2.879,1007 9.998,1008 19.422,1009 -2.308,1010 11.866,1011 15.375,1013 23.497,1014 11.592,1015 2.566,1016 9.176,1017 21.227,1018 4.467,1019 12.885,1020 16.736,1022 25.715,1023 12.582,1024 2.285,1025 8.143,1026 23.037,1027 3.953,1028 14.013,1029 18.253,1031 28.009,1032 13.686,1033 2.092,1034 6.106,1035 24.853,1036 3.527,1037 15.077,1038 19.673,1040 30.26,1041 14.721,1042 1.616,1043 5.823,1044 26.673,1045 3.113,1046 16.191,1047 21.168,1049 32.545,1050 15.809,1051 1.516,1052 4.464,1053 28.497,1054 2.844,1055 17.278,1056 22.62,1058 34.812,1059 16.867,1060 5622,1061 9700,1062 17.8,1063 25.733,1064 39.894,1065 39.369,1066 40.265,1067 39.453,1068 39.377,1069 55.799,1071 114.142,1072 37.987,1073 5.227,1074 5.103,1075 5.947,1076 5.134,1077 5.092,1078 7.467,1080 16.717,1081 5.004,1082 8.821,1083 1.534,1084 1.514,1085 1.549,1086 1.517,1087 1.515,1088 2.146,1090 4.39,1091 1.461,1092 4.14,1093 4.172,1094 4.105,1095 4.048,1096 6.474,1097 4.057,1098 3.944,1099 3.971,1100 3.898,1101 3.871,1102 6.468,1103 3.873,1104 3.698,1105 3.737,1106 3.649,1107 3.565,1108 5.048,1109 3.582,1110 3.378,1111 3.419,1112 3.31,1113 3.228,1114 4.836,1115 3.242,1116 2.974,1117 3.019,1118 2.9,1119 2.834,1120 4.553,1121 2.842,1122 2.959,1123 2.998,1124 2.839,1125 2.811,1126 4.141,1127 2.81,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.944,1133 2.715,1134 2.69,1135 2.742,1136 2.603,1137 2.508,1138 3.699,1139 2.521,1140 0.174,1141 0.119,1142 0.246,1143 0.156,1144 0.119,1145 4.534,1146 0.172,1147 3.103,1149 6.403,1150 0.385,1151 4.064,1152 0.116,1153 3.092,1154 4.467,1156 9.998,1157 3.004,1158 1.936,1159 1.912,1160 2.021,1161 2.046,1162 1.127,1163 2.037,1164 1.918,1165 1.898,1166 2.002,1167 2.008,1168 1.1,1169 2.007,1170 1.714,1171 1.676,1172 1.802,1173 1.86,1174 0.849,1175 1.85,1176 1.361,1177 1.312,1178 1.495,1179 1.562,1180 0.52,1181 1.546,1182 1.012,1183 0.976,1184 1.191,1185 1.244,1186 0.252,1187 1.221,1188 0.914,1189 0.879,1190 1.181,1191 1.126,1192 0.218,1193 1.108,1194 0.886,1195 0.821,1196 1.106,1197 1.062,1198 0.185,1199 1.107,1200 0.749,1201 0.694,1202 1.009,1203 0.98,1204 0.019,1205 1,1206 3.97,1208 5.303,1209 2.398,1210 6.828,1211 4.727,1212 8.434,1213 6.843,1214 10.082,1221 18.935,1231 25.128,1232 56.198,1233 116.898,1234 145.362,1235 169.362,1236 176.117,1237 178.117,1238 29.947,1239 7.382,1240 82.03,1241 82.03,1242 23,1243 12.418,1244 4.524,1245 3.585,1246 31.919,1247 78,1248 81,1249 0.201,1250 152.96,1251 251.1,1252 364.983,1253 15715,1255 15.811,1256 0.687,1257 0.524,1258 15.811,1259 12.062,1260 11.187,1261 0.43,1262 0.274,1263 7.046,1264 10.851,1265 6.914,1266 5.72,1267 11.187,1268 7.125,1269 10.377,1270 0.28,1271 0.143,1272 10.377,1273 5.291,1274 8.762,1275 0.179,1276 0.075,1277 8.762,1278 3.68,1279 7.3,1280 0.112,1281 0.039,1282 7.3,1283 2.52,1284 6.223,1285 0.073,1286 0.02,1287 6.223,1288 1.724,1289 0.313,1290 69.591,1291 0.237,1292 22.502,1293 0.558,1294 126,1295 359.922,1296 135.703,1297 358.059,1298 495.92,1299 334,1300 149,1301 374.244,1302 158.733,1303 382.944,1304 556.94,1305 361,1306 6.268} {0 CHEMBL1910199,1 1.511,2 10.583,3 3.619,4 13.097,5 89.668,6 8.676,7 0.815,8 3.719,9 3.814,10 3.419,11 3.369,12 5.006,13 3.369,14 4.149,15 4.264,16 3.772,17 3.744,18 5.376,19 3.73,20 4.39,21 4.552,22 3.793,23 3.825,24 5.611,25 3.784,26 4.397,27 4.604,28 3.652,29 3.709,30 5.583,31 3.65,32 4.25,33 4.468,34 3.527,35 3.56,36 5.397,37 3.517,38 4.074,39 4.252,40 3.441,41 3.497,42 5.229,43 3.451,44 4.071,45 4.27,46 3.386,47 3.437,48 5.312,49 3.381,50 3.977,51 4.181,52 3.212,53 3.332,54 5.203,55 3.259,56 0.047,57 0.504,58 4.94,59 2.675,60 10.185,61 2.869,62 0.049,63 0.789,64 7.908,65 4.253,66 9.796,67 4.807,68 0.175,69 1.019,70 12.542,71 5.802,72 24.417,73 6.713,74 0.243,75 1.046,76 14.942,77 5.992,78 34.811,79 7.31,80 0.194,81 0.901,82 13.699,83 5.132,84 34.352,85 6.137,86 0.112,87 0.741,88 9.669,89 4.223,90 18.349,91 4.964,92 0.173,93 0.742,94 10.523,95 4.389,96 24.502,97 5.477,98 0.188,99 0.652,100 10.065,101 4.184,102 30.293,103 5.181,104 6,105 38,106 0.265,107 0.599,108 0.751,109 0.858,110 0.868,111 0.868,112 3.229,113 0.819,114 -2.83,115 -2.84,116 -2.75,119 52.8,133 8,134 3,135 1,136 2,137 2,143 2,147 1,159 9,162 2,166 5,168 10,171 1,172 6,174 1,176 2,178 6,182 8,185 1,186 1,187 2,194 7,199 2,202 1,206 4,211 2,213 3,216 1,217 1,220 1,222 2,224 6,228 1,232 1,234 1,237 8,247 1,250 7,255 790,256 16.558,257 16.558,258 16.558,259 16.558,260 16.558,261 13.983,262 5.481,263 9.668,264 16.77,265 13.291,266 13.291,267 13.291,268 13.291,269 13.291,270 9.324,271 3.507,272 4.551,273 13.67,274 3.659,275 1.756,276 0.889,277 0.278,278 0.222,279 0.222,280 3.93,283 1,284 1,285 561,286 2.236,288 47.135,289 209.508,291 92.805,295 1.667,296 20.235,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 51,307 254,308 4.534,309 4.057,310 6.403,311 4.064,312 3.093,313 4.467,314 2.035,315 9.998,316 3.004,317 4.287,318 3.103,319 6.171,320 3.864,321 2.883,322 3.963,324 9.18,325 2.83,326 4.023,327 2.889,328 5.874,329 3.56,330 2.581,331 3.58,333 8.15,334 2.523,335 3.813,336 2.627,337 5.296,338 3.344,339 2.359,340 3.195,342 6.763,343 2.323,344 3.517,345 2.394,346 4.965,347 3.059,348 2.101,349 2.888,351 5.838,352 2.003,353 3.209,354 2.247,355 4.517,356 2.599,357 1.638,358 2.392,360 4.528,361 1.57,362 3.029,363 1.648,364 4.396,365 2.496,366 1.519,367 2.264,369 4.258,370 1.482,371 2.918,372 1.52,373 4.074,374 2.129,375 1.17,376 1.748,378 3.233,379 1.12,380 2.584,381 1.17,382 3.472,383 2,384 1.03,385 1.539,386 2.467,387 1,388 2.525,389 1.037,390 3.414,391 1.952,392 1,393 1.5,394 2.275,395 0.948,396 2.5,397 1,398 3.159,399 1.438,400 0.491,401 0.958,402 1.178,403 0.463,404 1.945,405 0.538,406 2.802,407 1.435,408 0.469,409 0.685,411 0.755,412 0.451,413 1.098,414 0.125,415 2.555,416 0.562,417 -0.386,418 -0.51,420 -0.822,421 -0.358,422 0.968,423 -0.123,424 2.353,425 0.523,426 -0.421,427 -0.613,429 -1.029,430 -0.399,431 0.751,432 -0.585,433 2.34,434 0.281,435 -0.668,436 -0.908,438 -1.682,439 -0.63,440 11.433,441 0.476,442 0.533,443 0.022,444 39,445 1.625,446 23.5,447 0.979,448 15.5,449 0.646,450 13.141,451 0.548,452 22.767,453 0.632,454 26.175,455 1.091,456 7.687,457 0.32,458 4.037,459 0.168,460 0.064,462 0.35,466 0.934,467 0.994,468 0.682,469 0.784,470 0.737,471 0.715,472 0.766,473 1.147,474 0.782,475 0.997,476 0.516,477 0.911,478 0.964,479 1.084,480 1.049,481 1.098,482 0.783,483 1.094,484 0.935,485 1.065,486 1.077,487 1.035,488 0.931,489 1.062,490 1.199,491 0.944,492 0.989,493 0.824,494 0.983,495 0.848,496 0.984,497 1.105,498 1.037,499 1.026,500 0.687,501 1.031,502 0.74,503 0.949,504 0.972,505 0.985,506 0.584,507 1.002,508 0.864,509 0.745,510 1.055,511 0.93,512 0.967,513 1.005,514 5,515 0.101,516 2.667,517 1.229,518 1.183,519 0.789,520 0.363,521 0.284,522 0.222,523 0.107,524 6776,525 20310,526 2.161,527 33.3,529 8,531 2,532 2,536 1.667,537 2.057,538 3.391,539 0.255,541 1,543 1,545 54.387,546 1.511,547 3.414,548 4.281,549 4.892,550 4.948,551 4.948,552 2.907,553 4.22,554 4.554,555 3.49,556 963.141,557 7.849,558 11201.1,559 1,560 1,561 1,562 1,563 186.117,564 1.281,565 4.532,566 0.185,567 0.008,568 0.07,569 0.033,570 0.038,571 0.028,572 0.014,573 0.012,574 0.011,575 0.007,576 0.407,577 0.5,578 1,579 0.681,580 114.186,581 -0.132,582 -0.017,583 0.006,584 0.074,585 -0.087,586 0.063,587 -0.061,588 -0.17,589 -0.052,590 -0.125,591 -0.005,592 -0.095,593 -0.041,594 -0.102,595 -0.161,596 -0.168,597 -0.046,598 -0.187,599 0.019,600 -0.051,601 -0.061,602 -0.066,603 -0.068,604 -0.074,605 -0.171,606 0.084,607 0.061,608 0.156,609 -0.1,610 0.156,611 -0.141,612 -0.114,613 -0.117,614 -0.083,615 -0.072,616 -0.093,617 0.138,618 0.042,619 0.021,620 -0.01,621 0.161,622 -0.012,623 0.102,624 0.204,625 -0.026,626 0.083,627 0.04,628 0.025,629 1.451,630 3.575,631 0.875,632 20.569,633 1.007,634 1.107,635 1.602,636 2.565,637 0.737,638 3.332,639 3.664,640 3.951,641 4.22,642 4.477,643 4.564,644 4.7,645 4.82,646 4.883,647 4.963,648 6.015,649 0.72,650 312.35,651 3.332,652 4.875,653 5.733,654 6.613,655 7.488,656 8.373,657 9.255,658 10.142,659 11.027,660 11.916,661 11.1,669 1,670 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,683 1,696 1,699 36,700 23,701 2,702 27,704 39,705 19,706 18,707 5,708 7,710 4,711 5,720 1,721 18,732 1,733 1,736 12,737 4,738 2,739 5,743 4,747 0.75,748 1,751 1,756 1,759 1,760 3,762 1,777 3,785 24,788 1,796 1,798 1,799 1,801 2.8,803 1,808 11.667,809 6.633,810 5.25,811 2.042,812 4.463,813 1.597,814 1.025,815 3.403,816 11.944,817 3.714,818 4.36,819 5.03,820 5.664,821 6.259,822 6.639,823 7.136,824 7.578,825 7.938,826 8.368,827 1,828 37,829 8.77,831 3.779,832 7.847,833 16.504,835 13.628,837 2.347,838 56.333,842 117.711,843 129.865,844 81.416,846 42.683,849 129.865,850 160.394,851 81.416,854 75.81,855 116.398,856 80.397,857 4.901,858 94.169,860 117.711,861 211.281,862 42.683,865 117.711,866 42.683,869 71.453,870 106.257,871 33.571,873 117.711,874 124.099,875 129.865,878 117.711,879 19.358,880 93.905,881 33.387,882 107.314,883 117.711,884 124.099,885 129.865,887 0.582,888 0.343,889 0.183,890 0.104,891 20,892 8,893 0.051,894 2,895 1,896 1.095,897 3.7,898 199.707,899 0.095,900 21,901 106.039,904 14.291,905 5.715,906 2.716,907 1.837,908 107.314,909 17.77,910 8.918,911 3.244,914 4.008,916 59.469,917 371.675,918 40,926 36.269,927 39.863,928 0.292,929 0.66,930 0.828,931 0.946,932 0.957,933 0.957,934 4.938,935 1.17,936 5.714,937 4.258,938 4.344,939 5.047,940 2.228,941 6.515,942 4.289,943 6.176,944 1.03,945 7.263,946 3.233,947 3.892,948 4.808,950 7.357,951 3.816,952 7.491,953 1,954 8.907,955 2.467,956 5.932,957 7.327,958 3.563,959 10.434,960 5.83,961 8.841,962 0.491,963 10.605,964 2.275,965 6.293,966 7.935,968 12.088,969 6.168,970 10.22,971 0.469,972 12.338,973 1.178,974 7.788,975 9.877,976 4.962,977 14.66,978 7.64,979 11.619,980 -0.386,981 14.094,982 0.755,983 8.528,984 10.902,986 16.655,987 8.353,988 13.035,989 -0.421,990 15.867,991 -0.822,992 9.793,993 12.587,994 6.378,995 19.042,996 9.596,997 3.093,998 -0.668,999 17.653,1000 -1.029,1001 10.719,1002 13.831,1004 21.19,1005 10.493,1006 2.883,1007 9.998,1008 19.448,1009 -1.682,1010 11.886,1011 15.398,1012 7.797,1013 23.507,1014 11.637,1015 2.581,1016 9.18,1017 21.251,1018 4.467,1019 12.904,1020 16.757,1022 25.724,1023 12.625,1024 2.359,1025 8.15,1026 23.06,1027 3.963,1028 14.031,1029 18.271,1030 9.217,1031 28.015,1032 13.726,1033 2.101,1034 6.763,1035 24.874,1036 3.58,1037 15.094,1038 19.69,1040 30.265,1041 14.76,1042 1.638,1043 5.838,1044 26.692,1045 3.195,1046 16.206,1047 21.183,1048 10.638,1049 32.549,1050 15.845,1051 1.519,1052 4.528,1053 28.514,1054 2.888,1055 17.292,1056 22.633,1058 34.816,1059 16.902,1060 6383,1061 11147,1062 18.493,1063 26.523,1064 42.211,1065 43.471,1066 41.555,1067 40.681,1068 40.664,1069 58.359,1070 4.069,1071 117.248,1072 39.434,1073 5.228,1074 6.057,1075 5.956,1076 5.134,1077 5.093,1078 7.467,1079 4.069,1080 16.718,1081 5.004,1082 9.195,1083 1.563,1084 1.61,1085 1.539,1086 1.507,1087 1.506,1088 2.161,1089 0.151,1090 4.343,1091 1.461,1092 4.14,1093 4.173,1094 4.105,1095 4.049,1096 6.82,1097 4.058,1098 3.955,1099 3.983,1100 3.912,1101 3.894,1102 6.471,1103 3.894,1104 3.713,1105 3.755,1106 3.672,1107 3.585,1108 5.051,1109 3.602,1110 3.386,1111 3.426,1112 3.323,1113 3.246,1114 4.84,1115 3.259,1116 3.156,1117 3.206,1118 3.125,1119 3.006,1120 4.621,1121 3.028,1122 2.961,1123 3.019,1124 2.841,1125 2.816,1126 4.141,1127 2.813,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.959,1133 2.715,1134 2.757,1135 2.807,1136 2.671,1137 2.634,1138 3.708,1139 2.638,1140 0.168,1141 0.15,1142 0.237,1143 0.151,1144 0.115,1145 4.534,1146 0.165,1147 4.057,1148 0.075,1149 6.403,1150 0.37,1151 4.064,1152 0.111,1153 3.093,1154 4.467,1155 2.035,1156 9.998,1157 3.004,1158 1.952,1159 1.927,1160 2.034,1161 2.049,1162 1.127,1163 2.043,1164 1.919,1165 1.899,1166 2.002,1167 2.008,1168 1.115,1169 2.007,1170 1.729,1171 1.69,1172 1.81,1173 1.868,1174 0.854,1175 1.859,1176 1.377,1177 1.33,1178 1.501,1179 1.567,1180 0.531,1181 1.552,1182 1.08,1183 1.037,1184 1.191,1185 1.258,1186 0.252,1187 1.232,1188 1.012,1189 0.973,1190 1.181,1191 1.242,1192 0.218,1193 1.219,1194 0.886,1195 0.821,1196 1.175,1197 1.062,1198 0.202,1199 1.107,1200 0.794,1201 0.741,1202 1.038,1203 0.988,1204 0.033,1205 1.013,1206 4.007,1208 5.333,1209 2.398,1210 6.855,1211 4.727,1212 8.461,1213 6.843,1214 10.108,1221 9.575,1229 8.881,1230 2.101,1231 25.908,1232 54.387,1233 122.898,1234 154.117,1235 176.117,1236 178.117,1237 178.117,1238 31.239,1239 7.481,1240 85.59,1241 85.59,1242 23,1243 12.446,1244 4.585,1245 3.807,1246 33.963,1247 86,1248 96,1249 0.194,1250 159.496,1251 265.33,1252 380.93,1253 17896,1255 16.518,1256 0.688,1257 0.523,1258 16.518,1259 12.562,1260 11.725,1261 0.434,1262 0.273,1263 7.303,1264 11.417,1265 7.154,1266 5.93,1267 11.725,1268 7.375,1269 10.546,1270 0.278,1271 0.143,1272 10.546,1273 5.433,1274 9.17,1275 0.18,1276 0.075,1277 9.17,1278 3.826,1279 7.61,1280 0.114,1281 0.039,1282 7.61,1283 2.603,1284 6.334,1285 0.073,1286 0.02,1287 6.334,1288 1.771,1289 0.304,1290 72.595,1291 0.233,1292 23.445,1293 0.533,1294 130,1295 371.418,1296 138.293,1297 375.627,1298 518.92,1299 350,1300 154,1301 388.622,1302 162.738,1303 400.676,1304 579.62,1305 377,1306 5.301} {0 CHEMBL1910200,1 1.728,2 10.846,3 3.266,4 10.667,5 97.685,6 8.913,7 0.759,8 3.848,9 3.927,10 3.716,11 3.507,12 5.026,13 3.47,14 4.333,15 4.439,16 3.997,17 3.877,18 5.734,19 3.847,20 4.567,21 4.711,22 3.988,23 3.959,24 5.86,25 3.906,26 4.572,27 4.756,28 3.838,29 3.867,30 5.805,31 3.797,32 4.482,33 4.704,34 3.667,35 3.719,36 5.608,37 3.649,38 4.243,39 4.438,40 3.628,41 3.621,42 5.33,43 3.548,44 4.206,45 4.379,46 3.663,47 3.573,48 5.516,49 3.512,50 4.21,51 4.395,52 3.536,53 3.518,54 5.512,55 3.439,56 0.113,57 0.597,58 8.149,59 3.996,60 18.337,61 3.835,62 0.235,63 0.954,64 14.173,65 6.514,66 43.542,67 6.743,68 0.392,69 1.179,70 18.331,71 7.949,72 55.573,73 8.102,74 0.4,75 1.186,76 20.03,77 8.049,78 48.566,79 9.052,80 0.373,81 1.066,82 19.103,83 7.202,84 55.374,85 8.672,86 0.206,87 0.872,88 13.789,89 5.694,90 27.335,91 6.972,92 0.299,93 0.843,94 13.666,95 5.421,96 32.635,97 6.356,98 0.371,99 0.803,100 13.405,101 5.455,102 48.213,103 6.191,104 18,105 43,106 0.296,107 0.626,108 0.756,109 0.848,110 0.857,111 0.857,112 3.304,113 1.007,114 -2.8,115 -2.81,116 -2.72,119 46.3,123 1,133 8,134 2,135 2,136 2,137 2,143 2,159 7,161 1,162 1,166 5,168 8,171 1,172 8,174 1,176 2,178 5,182 10,185 1,186 1,187 2,194 7,199 2,202 1,206 3,211 2,213 3,216 2,217 1,220 1,222 2,224 6,228 2,232 1,237 7,247 1,250 6,255 942,256 17.16,257 17.16,258 17.16,259 17.16,260 17.16,261 14.375,262 5.309,263 9.8,264 17.606,265 14.338,266 14.338,267 14.338,268 14.338,269 14.338,270 10.07,271 3.647,272 4.68,273 15.126,274 3.63,275 1.707,276 0.945,277 0.409,278 0.36,279 0.36,280 3.998,283 1,284 1,285 615,286 3.162,288 53.321,289 235.804,291 104.717,295 1.781,296 32.663,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 56.5,307 282,308 4.802,309 5.18,310 7.111,311 4.184,312 3.315,313 4.662,314 2.95,315 11.659,316 3.005,317 4.534,318 3.103,319 6.403,320 4.061,321 3.091,322 4.467,324 9.997,325 2.883,326 4.255,327 2.892,328 6.165,329 3.828,330 2.855,331 3.921,333 9.162,334 2.732,335 3.914,336 2.666,337 5.871,338 3.509,339 2.532,340 3.437,342 8.134,343 2.466,344 3.549,345 2.537,346 4.966,347 3.079,348 2.124,349 2.992,351 5.849,352 2.019,353 3.346,354 2.282,355 4.74,356 2.833,357 1.863,358 2.685,360 5.208,361 1.798,362 3.04,363 1.703,364 4.45,365 2.512,366 1.541,367 2.303,369 4.337,370 1.495,371 2.959,372 1.523,373 4.391,374 2.434,375 1.473,376 2.158,378 4.161,379 1.409,380 2.582,381 1.24,382 4.056,383 2.051,384 1.083,385 1.615,386 3.138,387 1.044,388 2.525,389 1.038,390 3.471,391 2,392 1.028,393 1.537,394 2.458,395 1,396 2.5,397 1,398 3.414,399 1.946,400 1,401 1.5,402 2.275,403 0.942,404 1.945,405 0.731,406 3.159,407 1.436,408 0.469,409 0.685,411 1.178,412 0.451,413 1.054,414 0.538,415 2.826,416 0.609,417 -0.346,418 -0.46,420 -0.859,421 -0.325,422 1,423 -0.055,424 2.557,425 0.529,426 -0.402,427 -0.519,429 -1.035,430 -0.369,431 0.965,432 -0.123,433 2.364,434 0.282,435 -0.664,436 -0.89,438 -1.728,439 -0.621,440 12.533,441 0.482,442 0.86,443 0.033,444 40.25,445 1.548,446 23.5,447 0.904,448 16.75,449 0.644,450 16.289,451 0.627,452 26.467,453 0.646,454 29.391,455 1.13,456 7.766,457 0.299,458 4.632,459 0.178,460 0.12,461 0.066,462 0.319,466 0.654,467 1.1,468 0.803,469 1.041,470 0.763,471 0.797,472 0.708,473 1.185,474 0.99,475 1.096,476 0.569,477 0.899,478 1.181,479 1.052,480 1.088,481 1.013,482 1.153,483 1.061,484 0.962,485 1.103,486 1.021,487 1.027,488 0.917,489 1.103,490 0.983,491 0.918,492 0.756,493 0.72,494 0.873,495 0.868,496 0.65,497 1.061,498 0.746,499 0.876,500 0.517,501 0.936,502 0.62,503 1.064,504 0.896,505 1.005,506 0.552,507 0.994,508 0.933,509 0.8,510 0.914,511 0.822,512 0.958,513 0.989,514 7,515 0.127,516 3.556,517 1.729,518 1.263,519 0.969,520 0.527,521 0.378,522 0.305,523 0.218,524 8342,525 27062,526 2.092,527 36.6,529 11,531 2,532 2,536 1.688,537 1.938,538 3.417,539 0.289,540 1,541 1,545 70.836,546 1.728,547 3.651,548 4.412,549 4.949,550 4.998,551 4.998,552 2.921,553 3.69,554 4.672,555 3.587,556 1165.65,557 8.078,558 14515.7,559 1,560 1,562 1,563 219.66,564 1.619,565 4.616,566 0.241,567 0.008,568 0.083,569 0.042,570 0.036,571 0.032,572 0.019,573 0.013,574 0.013,575 0.011,576 0.499,577 0.5,578 1,579 0.777,580 127.639,581 0.006,582 -0.032,583 0.171,584 0.014,585 -0.186,586 0.067,587 0.07,588 -0.145,589 -0.073,590 -0.105,591 0.198,592 -0.019,593 -0.187,594 -0.044,595 -0.22,596 -0.094,597 -0.152,598 -0.165,599 -0.072,600 -0.105,601 -0.152,602 -0.13,603 -0.074,604 -0.152,605 -0.122,606 0.056,607 0.07,608 0.131,609 -0.09,610 0.132,611 -0.016,612 -0.063,613 0.096,614 0.019,615 -0.015,616 0.048,617 0.184,618 -0.025,619 0.026,620 -0.07,621 0.153,622 -0.051,623 0.055,624 0.196,625 -0.031,626 0.08,627 -0.006,628 -0.037,629 4.149,630 4.579,631 0.808,632 23.976,633 1.016,634 1.111,635 1.57,636 2.466,637 0.722,638 3.401,639 3.784,640 4.025,641 4.277,642 4.522,643 4.644,644 4.804,645 4.883,646 4.97,647 5.069,648 6.453,649 0.697,650 365.44,651 3.401,652 4.977,653 5.832,654 6.73,655 7.602,656 8.5,657 9.379,658 10.276,659 11.159,660 12.055,661 7.3,669 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,696 1,699 41,700 24,701 2,702 29,704 44,705 19,706 18,707 5,708 7,710 4,711 5,721 18,722 1,724 2,727 1,728 2,732 1,733 1,736 15,737 5,738 2,739 7,740 1,743 3,747 0.75,748 3,751 1,756 1,759 1,760 3,762 1,777 3,779 1,781 1,785 26,787 1,788 1,801 7.3,803 1,804 2,808 13.417,809 7.683,810 5.417,811 2.193,812 4.458,813 1.582,814 1.024,815 3.93,816 12.112,817 3.761,818 4.48,819 5.068,820 5.695,821 6.284,822 6.682,823 7.19,824 7.609,825 7.981,826 8.419,827 1,828 41,829 9.728,831 4.434,832 7.99,833 17.971,835 15.217,837 2.49,838 64.75,841 1,842 153.024,843 124.865,844 50.357,846 86.996,848 6.046,849 118.819,850 240.021,851 50.357,852 7.19,854 81.856,855 144.11,856 47.703,857 4.901,858 129.482,860 153.024,861 169.175,862 86.996,863 6.046,865 153.024,866 86.996,869 40.394,870 95.211,871 39.617,873 153.024,874 137.353,875 124.865,877 6.046,878 153.024,879 17.724,880 101.095,881 16.786,882 120.567,883 153.024,884 137.353,885 124.865,887 0.603,888 0.337,889 0.171,890 0.094,891 23,892 10,893 0.068,894 3,895 1,896 1.095,897 3.793,898 223.806,899 0.095,900 21,901 116.211,903 1,904 16.615,905 6.15,906 3.316,907 1.771,908 120.567,909 16.884,910 8.863,911 3.219,914 3.32,916 59.469,917 415.242,918 42,921 -3.233,922 23.158,926 41.665,927 45.534,928 0.322,929 0.681,930 0.824,931 0.924,932 0.933,933 0.933,934 5.007,935 1.473,936 5.872,937 4.337,938 4.466,939 5.168,940 2.913,941 6.73,942 4.362,943 6.286,944 1.083,945 7.47,946 4.161,947 4.29,948 5.27,950 7.881,951 4.058,952 7.653,953 1.028,954 9.175,955 3.138,956 6.163,957 7.556,958 5.027,959 10.879,960 5.93,961 9.059,962 1,963 10.944,964 2.458,965 6.758,966 8.442,968 12.812,969 6.377,970 10.497,971 0.469,972 12.753,973 2.275,974 8.174,975 10.254,976 7.185,977 15.394,978 7.778,979 11.957,980 -0.346,981 14.59,982 1.178,983 9.093,984 11.483,986 17.622,987 8.555,988 13.434,989 -0.402,990 16.448,991 -0.859,992 10.344,993 13.114,994 9.348,995 20.083,996 9.766,997 3.315,998 -0.664,999 18.322,1000 -1.035,1001 11.402,1002 14.499,1004 22.428,1005 10.697,1006 3.091,1007 11.659,1008 20.207,1009 -1.728,1010 12.594,1011 16.058,1012 11.511,1013 24.858,1014 11.826,1015 2.855,1016 9.997,1017 22.103,1018 4.662,1019 13.713,1020 17.515,1022 27.253,1023 12.83,1024 2.532,1025 9.162,1026 24.006,1027 4.467,1028 14.886,1029 19.047,1030 13.675,1031 29.681,1032 13.925,1033 2.124,1034 8.134,1035 25.917,1036 3.921,1037 16.034,1038 20.537,1040 32.099,1041 14.965,1042 1.863,1043 5.849,1044 27.833,1045 3.437,1046 17.204,1047 22.06,1048 15.838,1049 34.532,1050 16.046,1051 1.541,1052 5.208,1053 29.754,1054 2.992,1055 18.365,1056 23.566,1058 36.963,1059 17.104,1060 7929,1061 14405,1062 19.186,1063 29.597,1064 45.141,1065 46.808,1066 45.221,1067 44.902,1068 44.749,1069 63.924,1070 5.9,1071 135.112,1072 42.487,1073 5.505,1074 7.18,1075 6.655,1076 5.254,1077 5.315,1078 7.662,1079 5.9,1080 18.567,1081 5.005,1082 13.464,1083 1.557,1084 1.614,1085 1.559,1086 1.548,1087 1.543,1088 2.204,1089 0.203,1090 4.659,1091 1.465,1092 4.148,1093 4.176,1094 4.735,1095 4.106,1096 7.716,1097 4.066,1098 4.067,1099 4.05,1100 4.102,1101 4.032,1102 6.999,1103 3.986,1104 3.819,1105 3.834,1106 3.847,1107 3.729,1108 6.471,1109 3.699,1110 3.575,1111 3.587,1112 3.572,1113 3.483,1114 5.051,1115 3.457,1116 3.363,1117 3.407,1118 3.296,1119 3.207,1120 4.84,1121 3.218,1122 2.961,1123 3.019,1124 2.842,1125 2.817,1126 4.619,1127 2.814,1128 2.854,1129 2.925,1130 2.744,1131 2.747,1132 4.141,1133 2.737,1134 2.847,1135 2.908,1136 2.687,1137 2.735,1138 3.959,1139 2.715,1140 0.166,1141 0.179,1142 0.245,1143 0.144,1144 0.114,1145 4.802,1146 0.161,1147 5.18,1148 0.102,1149 7.111,1150 0.402,1151 4.184,1152 0.104,1153 3.315,1154 4.662,1155 2.95,1156 11.659,1157 3.005,1158 1.998,1159 2.004,1160 2.024,1161 2.066,1162 1.229,1163 2.093,1164 1.919,1165 1.9,1166 2.002,1167 2.01,1168 1.126,1169 2.008,1170 1.776,1171 1.758,1172 1.807,1173 1.911,1174 0.93,1175 1.922,1176 1.539,1177 1.537,1178 1.586,1179 1.669,1180 0.797,1181 1.71,1182 1.327,1183 1.276,1184 1.484,1185 1.532,1186 0.51,1187 1.527,1188 1.012,1189 0.975,1190 1.191,1191 1.243,1192 0.252,1193 1.221,1194 0.886,1195 0.821,1196 1.181,1197 1.062,1198 0.218,1199 1.107,1200 0.865,1201 0.812,1202 1.087,1203 1.037,1204 0.21,1205 1.074,1206 4.078,1208 5.442,1209 2.398,1210 6.989,1211 4.727,1212 8.612,1213 6.843,1214 10.271,1216 1.177,1221 9.592,1231 28.557,1232 70.836,1233 149.685,1234 180.905,1235 202.905,1236 204.905,1237 204.905,1238 45.99,1239 7.655,1240 95.94,1241 104.32,1242 23,1243 12.582,1244 4.644,1245 3.807,1246 38.195,1247 102,1248 90,1249 0.187,1250 177.68,1251 295.7,1252 425.299,1253 22264,1255 18.311,1256 0.704,1257 0.564,1258 18.561,1259 14.656,1260 12.398,1261 0.428,1262 0.336,1263 7.922,1264 11.248,1265 7.542,1266 6.248,1267 13.292,1268 9.738,1269 12.334,1270 0.287,1271 0.187,1272 13.721,1273 8.056,1274 9.698,1275 0.176,1276 0.095,1277 10.455,1278 5.223,1279 7.999,1280 0.113,1281 0.048,1282 8.515,1283 3.391,1284 6.509,1285 0.072,1286 0.025,1287 6.866,1288 2.235,1289 0.294,1290 86.225,1291 0.228,1292 25.142,1293 0.507,1294 144,1295 442.104,1296 188.559,1297 454.825,1298 616.76,1299 418,1300 170,1301 432.938,1302 219.904,1303 474.553,1304 684.14,1305 443,1306 5.569} {0 CHEMBL1910201,1 1.479,2 9.913,3 4.195,4 17.596,5 88.154,6 8.172,7 0.846,8 3.744,9 3.836,10 3.387,11 3.374,12 4.973,13 3.365,14 4.175,15 4.285,16 3.754,17 3.76,18 5.391,19 3.736,20 4.435,21 4.596,22 3.746,23 3.848,24 5.598,25 3.79,26 4.44,27 4.645,28 3.582,29 3.764,30 5.492,31 3.676,32 4.329,33 4.549,34 3.501,35 3.65,36 5.361,37 3.561,38 4.208,39 4.416,40 3.427,41 3.535,42 5.297,43 3.469,44 4.108,45 4.301,46 3.323,47 3.428,48 5.279,49 3.363,50 4.027,51 4.234,52 3.146,53 3.31,54 5.155,55 3.223,56 0.059,57 0.482,58 6.244,59 3.119,60 11.363,61 3.479,62 0.027,63 0.759,64 9.631,65 4.987,66 9.191,67 5.947,68 0.178,69 0.991,70 15.207,71 6.707,72 29.194,73 7.995,74 0.171,75 1.002,76 16.987,77 7.071,78 29.498,79 8.973,80 0.158,81 0.889,82 15.78,83 6.648,84 24.37,85 8.911,86 0.133,87 0.815,88 13.449,89 5.349,90 21.834,91 6.838,92 0.179,93 0.714,94 12.039,95 4.839,96 26.614,97 5.981,98 0.166,99 0.636,100 11.655,101 4.79,102 25.377,103 6.065,104 5,105 37,106 0.261,107 0.541,108 0.69,109 0.848,110 0.871,111 0.88,112 3.189,113 0.838,114 -3.69,115 -3.66,116 -3.48,119 51.4,133 10,134 3,135 2,136 1,137 1,143 2,159 10,162 2,166 7,168 12,172 2,174 1,176 7,178 12,182 2,187 3,190 7,194 4,198 1,199 3,202 5,206 3,211 4,213 7,220 1,222 3,224 9,232 1,234 1,237 8,246 1,247 3,250 6,255 696,256 15.687,257 15.687,258 15.687,259 15.687,260 15.687,261 13.152,262 4.313,263 9.169,264 15.884,265 12.863,266 12.863,267 12.863,268 12.863,269 12.863,270 9.085,271 2.326,272 4.412,273 13.217,274 3.73,275 2.143,276 1.297,277 0.399,278 0.27,279 0.216,280 3.889,284 1,285 506,286 2,288 44.042,289 196.36,291 86.85,295 1.49,296 18.435,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 49,307 228,308 4.534,309 3.103,310 6.403,311 4.068,312 3.092,313 4.467,315 9.998,316 3.018,317 4.276,318 2.904,319 6.17,320 3.872,321 2.879,322 3.953,324 9.176,325 2.857,326 3.96,327 2.663,328 5.873,329 3.539,330 2.566,331 3.527,333 8.143,334 2.494,335 3.671,336 2.49,337 5.047,338 3.247,339 2.285,340 3.113,342 6.106,343 2.19,344 3.482,345 2.268,346 4.962,347 3.043,348 2.092,349 2.844,351 5.823,352 1.981,353 3.08,354 1.656,355 4.49,356 2.591,357 1.616,358 2.347,360 4.464,361 1.572,362 3.005,363 1.52,364 4.394,365 2.5,366 1.516,367 2.244,369 4.246,370 1.489,371 2.623,372 1.174,373 4.058,374 2.094,375 1.143,376 1.681,378 3.199,379 1.083,380 2.526,381 1.037,382 3.47,383 2.004,384 1.03,385 1.539,386 2.463,387 1.001,388 2.5,389 1,390 3.414,391 2,392 1,393 1.5,394 2.275,395 1,396 1.945,397 0.538,398 3.159,399 1.432,400 0.469,401 0.685,402 1.178,403 0.45,404 1.178,405 0.124,406 2.59,407 0.795,408 -0.15,409 -0.189,411 -0.333,412 -0.14,413 0.97,414 -0.123,415 2.505,416 0.547,417 -0.397,418 -0.514,420 -1.021,421 -0.369,422 0.76,423 -0.586,424 2.345,425 0.308,426 -0.643,427 -0.861,429 -1.608,430 -0.61,431 0.613,432 -0.742,433 2,434 0.144,435 -0.821,436 -1.101,438 -2.308,439 -0.787,440 10.967,441 0.477,442 0.571,443 0.025,444 35.5,445 1.543,446 21,447 0.913,448 14.5,449 0.63,450 13.163,451 0.572,452 22.633,453 0.612,454 24.013,455 1.044,456 7.133,457 0.31,458 4.054,459 0.176,460 0.061,462 0.365,466 1.007,467 0.912,468 0.756,469 0.752,470 1.024,471 0.72,472 0.677,473 1.182,474 0.79,475 1.036,476 0.557,477 0.948,478 1.027,479 1.047,480 1.088,481 1.049,482 0.979,483 1.072,484 0.879,485 1.065,486 1.072,487 1.042,488 0.833,489 1.074,490 0.529,491 1.029,492 0.838,493 0.975,494 0.542,495 0.961,496 0.865,497 1.045,498 0.967,499 0.946,500 0.696,501 0.951,502 1.016,503 0.966,504 1.063,505 0.98,506 0.962,507 1.011,508 0.936,509 0.903,510 1.045,511 1.011,512 0.984,513 1.04,514 5,515 0.101,516 2.667,517 1.229,518 1.143,519 0.726,520 0.363,521 0.284,522 0.21,523 0.092,524 5999,525 16881,526 2.168,527 37.8,529 10,531 1,532 3,536 1.656,537 2.06,538 3.311,539 0.946,541 1,545 54.736,546 1.479,547 3.067,548 3.913,549 4.811,550 4.939,551 4.993,552 2.752,553 4.263,554 4.495,555 3.399,556 859.898,557 7.732,558 9625.95,560 1,561 1,562 1,563 192.75,564 1.302,565 4.469,566 0.192,567 0.01,568 0.072,569 0.035,570 0.039,571 0.027,572 0.015,573 0.013,574 0.012,575 0.007,576 0.422,577 0.5,578 1,579 0.503,580 107.3,581 -0.155,582 0.092,583 -0.009,584 0.148,585 -0.207,586 0.102,587 -0.024,588 -0.185,589 -0.034,590 -0.131,591 0.039,592 -0.094,593 -0.114,594 -0.046,595 -0.195,596 -0.112,597 -0.106,598 -0.158,599 -0.091,600 -0.073,601 -0.105,602 -0.073,603 -0.097,604 -0.087,605 0.132,606 -0.062,607 0.154,608 0.02,609 0.081,610 0.073,611 -0.074,612 -0.003,613 0.003,614 0.004,615 -0.003,616 0.019,617 -0.022,618 0.05,619 -0.09,620 -0.027,621 -0.017,622 -0.058,623 0.038,624 0.053,625 -0.033,626 -0.018,627 0.006,628 -0.032,629 1.422,630 3.575,631 0.913,632 17.97,633 1.004,634 1.106,635 2.462,636 6.06,637 0.716,638 3.296,639 3.638,640 3.912,641 4.19,642 4.454,643 4.522,644 4.644,645 4.787,646 4.836,647 4.905,648 5.7,649 0.693,650 302.35,651 3.296,652 4.844,653 5.7,654 6.583,655 7.458,656 8.344,657 9.225,658 10.114,659 10.999,660 11.888,661 5.4,669 1,671 1,674 2,675 11,676 1,677 1,680 6,682 22,696 2,699 37,700 22,701 2,702 26,704 40,705 19,706 19,707 5,708 7,710 4,711 5,721 19,733 1,736 14,737 3,738 3,739 4,743 2,747 0.75,748 2,754 1,756 1,759 1,760 3,762 1,777 3,785 23,788 2,801 5.4,803 2,808 11.167,809 6.517,810 4.917,811 2.057,812 4.24,813 1.574,814 1.008,815 3.282,816 11.622,817 3.638,818 4.321,819 4.969,820 5.617,821 6.219,822 6.57,823 7.047,824 7.531,825 7.871,826 8.285,827 0.857,828 35,829 8.437,831 3.664,832 7.797,833 16.001,835 13.388,837 2.297,838 52.833,842 129.482,843 120.412,844 33.571,846 85.367,849 120.412,850 214.849,851 33.571,854 94.762,855 113.923,856 37.534,857 4.901,858 117.711,860 129.482,861 153.983,862 85.367,865 129.482,866 85.367,869 28.59,870 108.607,871 16.786,873 129.482,874 118.938,875 120.412,878 129.482,879 16.602,880 103.81,881 16.786,882 102.152,883 129.482,884 118.938,885 120.412,887 0.588,888 0.338,889 0.181,890 0.106,891 20,892 8,893 0.05,894 2,895 1,896 1.095,897 3.603,898 189.794,899 0.095,900 21,901 100.042,904 13.854,905 5.449,906 2.668,907 1.895,908 102.152,909 19.97,910 4.427,911 3.313,914 4.251,916 102.152,917 368.832,918 37,926 37.16,927 40.907,928 0.284,929 0.589,930 0.751,931 0.923,932 0.948,933 0.958,934 4.856,935 1.143,936 5.687,937 4.246,938 4.317,939 5.007,941 6.488,942 4.266,943 6.092,944 1.03,945 7.236,946 3.199,947 3.892,948 4.808,950 7.322,951 3.802,952 7.408,953 1,954 8.879,955 2.463,956 5.905,957 7.291,959 10.406,960 5.813,961 8.76,962 0.469,963 10.577,964 2.275,965 6.275,966 7.911,968 12.057,969 6.149,970 10.141,971 -0.15,972 12.309,973 1.178,974 7.762,975 9.844,977 14.637,978 7.633,979 11.543,980 -0.397,981 14.065,982 -0.333,983 8.506,984 10.874,986 16.634,987 8.349,988 12.962,989 -0.643,990 15.839,991 -1.021,992 9.77,993 12.559,995 19.027,996 9.605,997 3.092,998 -0.821,999 17.625,1000 -1.608,1001 10.698,1002 13.806,1004 21.176,1005 10.509,1006 2.879,1007 9.998,1008 19.422,1009 -2.308,1010 11.866,1011 15.375,1013 23.497,1014 11.664,1015 2.566,1016 9.176,1017 21.227,1018 4.467,1019 12.885,1020 16.736,1022 25.715,1023 12.66,1024 2.285,1025 8.143,1026 23.037,1027 3.953,1028 14.013,1029 18.253,1031 28.009,1032 13.772,1033 2.092,1034 6.106,1035 24.853,1036 3.527,1037 15.077,1038 19.673,1040 30.26,1041 14.814,1042 1.616,1043 5.823,1044 26.673,1045 3.113,1046 16.191,1047 21.168,1049 32.545,1050 15.909,1051 1.516,1052 4.464,1053 28.497,1054 2.844,1055 17.278,1056 22.62,1058 34.812,1059 16.974,1060 5622,1061 9519,1062 17.8,1063 26.489,1064 39.894,1065 39.369,1066 40.265,1067 39.458,1068 39.377,1069 55.799,1071 114.142,1072 38.271,1073 5.227,1074 5.103,1075 5.947,1076 5.11,1077 5.092,1078 7.467,1080 16.717,1081 5.018,1082 8.821,1083 1.534,1084 1.514,1085 1.549,1086 1.518,1087 1.515,1088 2.146,1090 4.39,1091 1.472,1092 4.143,1093 4.175,1094 4.107,1095 4.057,1096 6.474,1097 4.066,1098 3.956,1099 3.978,1100 3.907,1101 3.897,1102 6.468,1103 3.896,1104 3.715,1105 3.747,1106 3.658,1107 3.616,1108 5.002,1109 3.622,1110 3.39,1111 3.427,1112 3.318,1113 3.254,1114 4.788,1115 3.262,1116 2.962,1117 3.016,1118 2.887,1119 2.817,1120 4.555,1121 2.815,1122 2.951,1123 2.985,1124 2.835,1125 2.776,1126 4.084,1127 2.794,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.738,1133 2.715,1134 2.802,1135 2.852,1136 2.683,1137 2.694,1138 3.734,1139 2.687,1140 0.174,1141 0.119,1142 0.246,1143 0.156,1144 0.119,1145 4.534,1146 0.172,1147 3.103,1149 6.403,1150 0.385,1151 4.068,1152 0.116,1153 3.092,1154 4.467,1156 9.998,1157 3.018,1158 1.97,1159 1.949,1160 2.055,1161 2.054,1162 1.162,1163 2.055,1164 1.918,1165 1.899,1166 2.002,1167 2.008,1168 1.124,1169 2.007,1170 1.736,1171 1.704,1172 1.84,1173 1.864,1174 0.898,1175 1.859,1176 1.401,1177 1.356,1178 1.543,1179 1.578,1180 0.618,1181 1.57,1182 1.012,1183 0.976,1184 1.187,1185 1.236,1186 0.243,1187 1.22,1188 0.886,1189 0.847,1190 1.181,1191 1.122,1192 0.218,1193 1.107,1194 0.885,1195 0.821,1196 1.116,1197 1.062,1198 0.163,1199 1.102,1200 0.832,1201 0.783,1202 1.054,1203 1.014,1204 0.096,1205 1.041,1206 3.97,1208 5.303,1209 2.398,1210 6.828,1211 4.727,1212 8.434,1213 6.843,1214 10.082,1221 18.977,1231 25.633,1232 54.736,1233 113.477,1234 144.776,1235 177.995,1236 182.75,1237 184.75,1238 29.327,1239 7.382,1240 69.14,1241 69.14,1242 23,1243 12.418,1244 4.524,1245 3.585,1246 31.919,1247 78,1248 81,1249 0.201,1250 155.758,1251 257.4,1252 371.811,1253 15715,1255 15.811,1256 0.687,1257 0.53,1258 15.811,1259 12.192,1260 11.187,1261 0.43,1262 0.279,1263 7.202,1264 10.913,1265 7.056,1266 5.839,1267 11.187,1268 7.265,1269 10.377,1270 0.28,1271 0.147,1272 10.377,1273 5.431,1274 8.762,1275 0.179,1276 0.078,1277 8.762,1278 3.841,1279 7.3,1280 0.112,1281 0.041,1282 7.3,1283 2.669,1284 6.223,1285 0.073,1286 0.022,1287 6.223,1288 1.836,1289 0.313,1290 69.137,1291 0.237,1292 22.502,1293 0.558,1294 126,1295 340.277,1296 133.982,1297 340.708,1298 473.52,1299 318,1300 149,1301 357.779,1302 156.513,1303 367.306,1304 533.99,1305 347,1306 6.638} {0 CHEMBL1910377,1 1.479,2 9.913,3 4.195,4 17.596,5 88.154,6 8.172,7 0.846,8 3.744,9 3.836,10 3.387,11 3.374,12 4.973,13 3.365,14 4.175,15 4.285,16 3.754,17 3.76,18 5.391,19 3.736,20 4.435,21 4.596,22 3.746,23 3.848,24 5.597,25 3.79,26 4.441,27 4.645,28 3.587,29 3.763,30 5.503,31 3.674,32 4.33,33 4.552,34 3.495,35 3.647,36 5.352,37 3.562,38 4.206,39 4.412,40 3.427,41 3.539,42 5.294,43 3.471,44 4.108,45 4.301,46 3.323,47 3.428,48 5.279,49 3.363,50 4.027,51 4.234,52 3.146,53 3.31,54 5.155,55 3.223,56 0.059,57 0.482,58 6.244,59 3.119,60 11.363,61 3.479,62 0.027,63 0.759,64 9.631,65 4.987,66 9.191,67 5.947,68 0.178,69 0.991,70 15.207,71 6.707,72 29.167,73 7.995,74 0.21,75 1.002,76 16.997,77 7.086,78 31.219,79 9.072,80 0.128,81 0.897,82 15.87,83 6.569,84 23.08,85 8.708,86 0.123,87 0.807,88 13.35,89 5.413,90 21.431,91 6.942,92 0.179,93 0.714,94 12.039,95 4.839,96 26.614,97 5.981,98 0.166,99 0.636,100 11.655,101 4.79,102 25.377,103 6.065,104 5,105 37,106 0.261,107 0.541,108 0.69,109 0.848,110 0.871,111 0.88,112 3.189,113 0.838,114 -3.69,115 -3.66,116 -3.48,119 51.4,133 10,134 3,135 2,136 1,137 1,143 2,159 10,162 2,166 7,168 13,172 2,174 1,176 5,178 12,182 2,186 1,187 4,190 6,194 4,199 4,202 5,206 3,211 4,213 7,220 1,222 3,224 9,232 1,234 1,237 8,246 1,247 3,250 6,255 696,256 15.687,257 15.687,258 15.687,259 15.687,260 15.687,261 13.152,262 4.313,263 9.169,264 15.884,265 12.863,266 12.863,267 12.863,268 12.863,269 12.863,270 9.085,271 2.326,272 4.412,273 13.216,274 3.73,275 2.143,276 1.297,277 0.399,278 0.27,279 0.216,280 3.889,284 1,285 506,286 2,288 44.042,289 196.36,291 86.85,295 1.49,296 18.375,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 49,307 228,308 4.534,309 3.103,310 6.403,311 4.068,312 3.092,313 4.467,315 9.998,316 3.017,317 4.276,318 2.904,319 6.17,320 3.872,321 2.879,322 3.953,324 9.176,325 2.857,326 3.96,327 2.663,328 5.873,329 3.539,330 2.566,331 3.527,333 8.143,334 2.493,335 3.671,336 2.49,337 5.047,338 3.247,339 2.285,340 3.113,342 6.106,343 2.191,344 3.482,345 2.268,346 4.962,347 3.048,348 2.092,349 2.844,351 5.823,352 1.991,353 3.08,354 1.656,355 4.49,356 2.586,357 1.616,358 2.347,360 4.464,361 1.564,362 3.005,363 1.52,364 4.394,365 2.495,366 1.516,367 2.244,369 4.246,370 1.482,371 2.623,372 1.174,373 4.058,374 2.096,375 1.143,376 1.681,378 3.199,379 1.085,380 2.526,381 1.037,382 3.47,383 2.007,384 1.03,385 1.539,386 2.463,387 1.004,388 2.5,389 1,390 3.414,391 2,392 1,393 1.5,394 2.275,395 1,396 1.945,397 0.538,398 3.159,399 1.436,400 0.469,401 0.685,402 1.178,403 0.452,404 1.178,405 0.124,406 2.59,407 0.795,408 -0.15,409 -0.189,411 -0.333,412 -0.14,413 0.97,414 -0.123,415 2.505,416 0.536,417 -0.397,418 -0.514,420 -1.021,421 -0.365,422 0.76,423 -0.586,424 2.345,425 0.319,426 -0.643,427 -0.861,429 -1.608,430 -0.615,431 0.613,432 -0.742,433 2,434 0.145,435 -0.821,436 -1.101,438 -2.308,439 -0.788,440 10.967,441 0.477,442 0.571,443 0.025,444 35.5,445 1.543,446 21,447 0.913,448 14.5,449 0.63,450 13.165,451 0.572,452 22.633,453 0.612,454 24.011,455 1.044,456 7.133,457 0.31,458 4.054,459 0.176,460 0.061,462 0.365,466 1.007,467 0.912,468 0.756,469 0.752,470 1.024,471 0.72,472 0.677,473 1.182,474 0.79,475 1.036,476 0.557,477 0.948,478 1.027,479 1.047,480 1.088,481 1.049,482 0.981,483 1.072,484 0.794,485 1.065,486 1.061,487 1.046,488 0.808,489 1.084,490 0.656,491 1.01,492 0.859,493 0.948,494 0.573,495 0.933,496 0.827,497 1.067,498 0.956,499 0.973,500 0.688,501 0.97,502 1.016,503 0.966,504 1.063,505 0.98,506 0.962,507 1.011,508 0.936,509 0.903,510 1.045,511 1.011,512 0.984,513 1.04,514 5,515 0.101,516 2.667,517 1.229,518 1.143,519 0.726,520 0.363,521 0.284,522 0.21,523 0.092,524 5999,525 16875,526 2.168,527 37.8,529 10,531 1,532 3,536 1.656,537 2.06,538 3.311,539 0.946,541 1,545 54.736,546 1.479,547 3.067,548 3.913,549 4.811,550 4.939,551 4.993,552 2.752,553 4.263,554 4.495,555 3.399,556 859.898,557 7.732,558 9625.95,560 1,561 1,562 1,563 192.75,564 1.302,565 4.469,566 0.192,567 0.01,568 0.072,569 0.035,570 0.039,571 0.027,572 0.015,573 0.013,574 0.012,575 0.007,576 0.422,577 0.5,578 1,579 0.503,580 107.3,581 -0.155,582 0.092,583 -0.009,584 0.148,585 -0.207,586 0.102,587 -0.024,588 -0.185,589 -0.034,590 -0.131,591 0.039,592 -0.094,593 -0.114,594 -0.046,595 -0.195,596 -0.112,597 -0.107,598 -0.158,599 -0.004,600 -0.073,601 -0.094,602 -0.077,603 -0.072,604 -0.097,605 0.02,606 -0.031,607 0.136,608 0.043,609 0.051,610 0.097,611 -0.056,612 -0.04,613 0.01,614 -0.018,615 0.002,616 0.006,617 -0.022,618 0.05,619 -0.09,620 -0.027,621 -0.017,622 -0.058,623 0.038,624 0.053,625 -0.033,626 -0.018,627 0.006,628 -0.032,629 1.434,630 3.569,631 0.913,632 17.97,633 1.004,634 1.106,635 2.462,636 6.06,637 0.716,638 3.296,639 3.638,640 3.912,641 4.19,642 4.454,643 4.522,644 4.644,645 4.787,646 4.836,647 4.905,648 5.7,649 0.693,650 302.35,651 3.296,652 4.844,653 5.7,654 6.583,655 7.458,656 8.344,657 9.225,658 10.114,659 10.999,660 11.888,661 5.4,669 1,671 1,674 2,675 11,676 1,677 1,680 6,682 22,696 2,699 37,700 22,701 2,702 26,704 40,705 19,706 19,707 5,708 7,710 4,711 5,721 19,733 1,736 14,737 3,738 3,739 4,743 2,747 0.75,748 2,754 1,756 1,759 1,760 3,762 1,777 3,785 23,788 2,801 5.4,803 2,808 11.167,809 6.517,810 4.917,811 2.057,812 4.24,813 1.574,814 1.008,815 3.282,816 11.622,817 3.638,818 4.321,819 4.969,820 5.617,821 6.219,822 6.57,823 7.047,824 7.531,825 7.871,826 8.285,827 0.857,828 35,829 8.436,831 3.664,832 7.797,833 16.001,835 13.388,837 2.297,838 52.833,842 129.482,843 120.412,844 33.571,846 85.367,849 120.412,850 214.849,851 33.571,854 94.762,855 113.923,856 37.534,857 4.901,858 117.711,860 129.482,861 153.983,862 85.367,865 129.482,866 85.367,869 28.59,870 108.607,871 16.786,873 129.482,874 118.938,875 120.412,878 129.482,879 16.602,880 103.81,881 16.786,882 102.152,883 129.482,884 118.938,885 120.412,887 0.588,888 0.338,889 0.181,890 0.106,891 20,892 8,893 0.05,894 2,895 1,896 1.095,897 3.603,898 189.794,899 0.095,900 21,901 100.042,904 13.854,905 5.449,906 2.668,907 1.895,908 102.152,909 20.022,910 4.427,911 3.278,914 4.24,916 102.152,917 368.832,918 37,926 37.16,927 40.907,928 0.284,929 0.589,930 0.751,931 0.923,932 0.948,933 0.958,934 4.856,935 1.143,936 5.687,937 4.246,938 4.317,939 5.007,941 6.488,942 4.266,943 6.092,944 1.03,945 7.236,946 3.199,947 3.892,948 4.808,950 7.322,951 3.802,952 7.408,953 1,954 8.879,955 2.463,956 5.905,957 7.291,959 10.406,960 5.813,961 8.76,962 0.469,963 10.577,964 2.275,965 6.275,966 7.911,968 12.057,969 6.149,970 10.141,971 -0.15,972 12.309,973 1.178,974 7.762,975 9.844,977 14.637,978 7.632,979 11.543,980 -0.397,981 14.065,982 -0.333,983 8.506,984 10.874,986 16.634,987 8.348,988 12.962,989 -0.643,990 15.839,991 -1.021,992 9.77,993 12.559,995 19.027,996 9.604,997 3.092,998 -0.821,999 17.625,1000 -1.608,1001 10.698,1002 13.806,1004 21.176,1005 10.508,1006 2.879,1007 9.998,1008 19.422,1009 -2.308,1010 11.866,1011 15.375,1013 23.497,1014 11.662,1015 2.566,1016 9.176,1017 21.227,1018 4.467,1019 12.885,1020 16.736,1022 25.715,1023 12.658,1024 2.285,1025 8.143,1026 23.037,1027 3.953,1028 14.013,1029 18.253,1031 28.009,1032 13.77,1033 2.092,1034 6.106,1035 24.853,1036 3.527,1037 15.077,1038 19.673,1040 30.26,1041 14.812,1042 1.616,1043 5.823,1044 26.673,1045 3.113,1046 16.191,1047 21.168,1049 32.545,1050 15.906,1051 1.516,1052 4.464,1053 28.497,1054 2.844,1055 17.278,1056 22.62,1058 34.812,1059 16.971,1060 5622,1061 9518,1062 17.8,1063 26.489,1064 39.894,1065 39.369,1066 40.265,1067 39.464,1068 39.377,1069 55.799,1071 114.142,1072 38.272,1073 5.227,1074 5.103,1075 5.947,1076 5.11,1077 5.092,1078 7.467,1080 16.717,1081 5.017,1082 8.821,1083 1.534,1084 1.514,1085 1.549,1086 1.518,1087 1.515,1088 2.146,1090 4.39,1091 1.472,1092 4.143,1093 4.175,1094 4.107,1095 4.057,1096 6.474,1097 4.066,1098 3.956,1099 3.978,1100 3.907,1101 3.897,1102 6.468,1103 3.896,1104 3.715,1105 3.747,1106 3.658,1107 3.616,1108 5.001,1109 3.622,1110 3.389,1111 3.427,1112 3.317,1113 3.254,1114 4.787,1115 3.263,1116 2.962,1117 3.019,1118 2.886,1119 2.817,1120 4.555,1121 2.815,1122 2.954,1123 2.986,1124 2.84,1125 2.776,1126 4.108,1127 2.793,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.736,1133 2.715,1134 2.803,1135 2.854,1136 2.685,1137 2.694,1138 3.708,1139 2.686,1140 0.174,1141 0.119,1142 0.246,1143 0.156,1144 0.119,1145 4.534,1146 0.172,1147 3.103,1149 6.403,1150 0.385,1151 4.068,1152 0.116,1153 3.092,1154 4.467,1156 9.998,1157 3.017,1158 1.97,1159 1.949,1160 2.056,1161 2.054,1162 1.162,1163 2.055,1164 1.919,1165 1.899,1166 2.002,1167 2.008,1168 1.124,1169 2.007,1170 1.736,1171 1.704,1172 1.839,1173 1.864,1174 0.897,1175 1.859,1176 1.401,1177 1.356,1178 1.541,1179 1.577,1180 0.615,1181 1.571,1182 1.012,1183 0.975,1184 1.191,1185 1.244,1186 0.252,1187 1.221,1188 0.886,1189 0.847,1190 1.181,1191 1.122,1192 0.218,1193 1.107,1194 0.885,1195 0.821,1196 1.117,1197 1.062,1198 0.172,1199 1.102,1200 0.832,1201 0.782,1202 1.052,1203 1.013,1204 0.091,1205 1.041,1206 3.97,1208 5.303,1209 2.398,1210 6.828,1211 4.727,1212 8.434,1213 6.843,1214 10.082,1221 18.971,1231 25.633,1232 54.736,1233 113.477,1234 144.776,1235 177.995,1236 182.75,1237 184.75,1238 29.301,1239 7.382,1240 69.14,1241 69.14,1242 23,1243 12.418,1244 4.524,1245 3.585,1246 31.919,1247 78,1248 81,1249 0.201,1250 155.758,1251 257.4,1252 371.811,1253 15715,1255 15.811,1256 0.687,1257 0.53,1258 15.811,1259 12.192,1260 11.187,1261 0.43,1262 0.279,1263 7.202,1264 10.913,1265 7.056,1266 5.839,1267 11.187,1268 7.265,1269 10.377,1270 0.28,1271 0.147,1272 10.377,1273 5.431,1274 8.762,1275 0.179,1276 0.078,1277 8.762,1278 3.843,1279 7.3,1280 0.112,1281 0.041,1282 7.3,1283 2.664,1284 6.223,1285 0.073,1286 0.022,1287 6.223,1288 1.839,1289 0.313,1290 69.137,1291 0.237,1292 22.502,1293 0.558,1294 126,1295 340.277,1296 133.982,1297 340.708,1298 473.52,1299 318,1300 149,1301 357.779,1302 156.513,1303 367.307,1304 534,1305 347,1306 6.523} {0 CHEMBL1944663,1 1.52,2 7.826,3 4.103,4 16.831,5 83.276,6 8.141,7 0.769,8 3.785,9 3.86,10 3.422,11 3.342,12 4.987,13 3.354,14 4.276,15 4.388,16 3.82,17 3.729,18 5.479,19 3.732,20 4.502,21 4.652,22 3.915,23 3.818,24 5.688,25 3.822,26 4.481,27 4.624,28 3.894,29 3.804,30 5.653,31 3.809,32 4.42,33 4.549,34 3.834,35 3.794,36 5.643,37 3.776,38 4.517,39 4.665,40 3.764,41 3.742,42 5.777,43 3.71,44 4.448,45 4.657,46 3.366,47 3.574,48 5.606,49 3.463,50 4.247,51 4.48,52 2.863,53 3.265,54 5.24,55 3.118,56 0.099,57 0.488,58 6.712,59 3.616,60 12.676,61 3.84,62 0.256,63 0.798,64 12.386,65 5.944,66 22.585,67 6.759,68 0.426,69 0.976,70 18.018,71 7.278,72 39.617,73 8.333,74 0.381,75 0.957,76 17.229,77 7.07,78 32.259,79 7.902,80 0.292,81 0.918,82 14.775,83 6.874,84 28.053,85 7.92,86 0.541,87 0.98,88 17.98,89 7.342,90 47.437,91 8.424,92 0.518,93 0.918,94 18.878,95 7.235,96 58.844,97 9.131,98 0.386,99 0.73,100 16.677,101 5.952,102 45.851,103 7.379,104 13,105 38,106 0.268,107 0.631,108 0.794,109 0.875,110 0.885,111 0.885,112 3.191,113 0.864,114 -3.35,115 -3.34,116 -3.19,119 47.4,120 1,121 1,124 1,133 6,134 3,135 2,137 2,143 1,144 1,159 7,162 8,164 1,166 2,168 7,171 1,172 8,174 1,176 3,178 7,181 1,182 5,187 4,190 7,194 3,197 1,199 4,202 8,205 1,206 5,209 2,211 2,213 7,217 2,220 1,221 1,222 2,224 6,229 1,234 2,237 3,242 1,247 2,250 2,255 679,256 15.801,257 15.801,258 15.801,259 15.801,260 15.801,261 13.523,262 9.705,263 9.321,264 16.054,265 12.835,266 12.835,267 12.835,268 12.835,269 12.835,270 9.309,271 8.14,272 4.402,273 13.293,274 3.728,275 1.669,276 0.744,277 0.283,278 0.23,279 0.23,280 3.89,284 1,285 393,286 2.739,288 24.607,289 109.011,291 100.731,292 60.457,295 1.153,296 27.515,298 1,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 0.87,306 50.5,307 180,308 4.897,309 3.461,310 7.172,311 4.396,312 3.412,313 5.063,314 0.86,315 12.632,316 3.356,317 4.306,318 2.983,319 6.324,320 3.821,321 2.841,322 4.161,324 9.551,325 2.783,326 3.942,327 2.713,328 5.935,329 3.475,330 2.519,331 3.554,333 8.168,334 2.402,335 3.514,336 2.396,337 5.257,338 3.064,339 2.12,340 2.917,342 6.213,343 1.997,344 3.443,345 2.286,346 5.18,347 2.98,348 2.027,349 2.89,351 6.1,352 1.94,353 3.366,354 1.951,355 4.952,356 2.904,357 1.927,358 2.69,360 5.737,361 1.858,362 2.824,363 1.655,364 4.235,365 2.39,366 1.434,367 1.985,369 3.402,370 1.364,371 2.524,372 1.324,373 3.942,374 2.32,375 1.321,376 1.526,378 2.896,379 1.318,380 2.484,381 1.135,382 3.562,383 1.999,384 1.027,385 1.477,386 2.688,387 0.994,388 2.149,389 0.879,390 3.397,391 1.709,392 0.765,393 1.026,394 1.886,395 0.718,396 1.512,397 0.486,398 2.86,399 1.181,400 0.253,401 0.293,402 0.465,403 0.232,404 1.367,405 0.363,406 2.742,407 1.033,408 0.092,409 0.117,411 0.206,412 0.085,413 0.963,414 -0.249,415 2.539,416 0.481,417 -0.484,418 -0.615,420 -1.024,421 -0.46,422 0.791,423 -0.274,424 2.353,425 0.404,426 -0.569,427 -0.778,429 -1.596,430 -0.546,431 0.637,432 -0.552,433 2.271,434 0.25,435 -0.666,436 -0.856,438 -1.75,439 -0.606,440 10.733,441 0.467,442 0.572,443 0.025,444 32.5,445 1.413,446 17.5,447 0.761,448 15,449 0.652,450 16.277,451 0.708,452 24.067,453 0.633,454 23.082,455 1.004,456 6.301,457 0.274,458 4.885,459 0.212,460 0.109,462 0.419,466 0.943,467 1.035,468 0.73,469 0.94,470 0.994,471 0.817,472 0.791,473 1.084,474 0.702,475 0.969,476 0.563,477 0.846,478 1.088,479 0.879,480 0.782,481 0.813,482 0.851,483 0.744,484 1.173,485 0.945,486 0.852,487 0.88,488 0.925,489 0.805,490 0.833,491 1.199,492 0.907,493 1.165,494 0.838,495 1.073,496 1.007,497 1.172,498 1.124,499 1.195,500 1.096,501 1.187,502 0.802,503 1.081,504 1.199,505 1.159,506 0.78,507 1.246,508 1.189,509 0.99,510 1.385,511 1.099,512 1.398,513 1.249,514 4,515 0.012,516 2.444,517 1.882,518 1.987,519 0.854,520 0.674,521 0.289,522 0.135,523 0.061,524 4872,525 13746,526 2.141,527 39.5,528 3,529 8,532 2,534 2,536 1.667,537 2,538 2.948,539 0.278,541 1,545 57.759,546 1.52,547 3.579,548 4.504,549 4.965,550 5.018,551 5.018,552 2.426,553 4.35,554 4.491,555 3.047,556 770.776,557 7.789,558 8287.36,560 1,561 1,562 1,563 199.421,564 1.422,565 4.454,566 0.154,567 0.006,568 0.064,569 0.046,570 0.05,571 0.023,572 0.021,573 0.014,574 0.012,575 0.01,576 0.401,577 0.5,578 1,579 1.17,580 103.626,581 -0.113,582 -0.003,583 0.019,584 0.046,585 -0.174,586 0.06,587 0.065,588 -0.066,589 0.125,590 0.011,591 0.097,592 0.066,593 -0.035,594 0.127,595 0.157,596 0.151,597 0.01,598 0.187,599 -0.106,600 0.064,601 0.073,602 0.081,603 -0.057,604 0.112,605 0.035,606 -0.19,607 -0.05,608 -0.194,609 0.055,610 -0.151,611 0.083,612 -0.179,613 -0.181,614 -0.243,615 0.013,616 -0.269,617 0.095,618 -0.116,619 -0.191,620 -0.188,621 0.152,622 -0.24,623 -0.2,624 -0.056,625 -0.312,626 -0.126,627 -0.248,628 -0.219,629 1.907,630 4.174,631 0.739,632 15.633,633 1.016,634 1.112,635 2.121,636 4.5,637 0.688,638 3.296,639 3.664,640 4.025,641 4.419,642 4.771,643 4.956,644 5.136,645 5.308,646 5.366,647 5.366,648 4.719,649 0.673,650 309.34,651 3.296,652 4.86,653 5.753,654 6.678,655 7.603,656 8.542,657 9.48,658 10.424,659 11.366,660 12.312,661 2.6,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 2,697 1,699 38,700 20,701 2,702 26,704 41,705 18,706 15,707 6,708 6,710 4,711 10,715 1,719 1,721 15,722 3,733 1,736 15,737 5,738 2,739 5,743 1,747 0.25,748 4,756 1,759 1,760 3,762 2,763 1,777 1,781 1,785 23,788 2,789 2,791 1,801 10.5,803 2,806 2,808 11.5,809 7.183,810 5.028,811 2.429,812 4.443,813 1.574,814 0.983,815 3.362,816 12.184,817 3.611,818 4.36,819 5.131,820 5.926,821 6.665,822 7.221,823 7.788,824 8.361,825 8.787,826 9.161,827 1,828 41,829 8.504,831 3.754,832 7.848,833 16.017,835 13.436,837 2.348,838 54,842 153.024,843 96.122,844 16.786,846 105.874,849 96.122,850 258.898,851 16.786,852 8.825,853 7.127,854 56.857,855 102.152,856 38.983,857 4.836,858 153.024,860 153.024,861 112.907,862 105.874,865 129.482,866 129.416,869 21.466,870 74.656,871 16.786,873 153.024,874 122.659,875 96.122,878 153.024,879 30.439,880 65.683,882 122.659,883 153.024,884 122.659,885 96.122,887 0.581,888 0.349,889 0.21,890 0.135,891 21,892 9,893 0.073,894 3,895 3,896 1.353,897 3.385,898 204.019,899 0.353,900 17,901 104.042,904 14.304,905 5.406,906 2.223,907 3.792,908 122.659,909 10.366,910 4.458,912 5.422,914 0.596,916 85.367,917 371.805,918 36,926 38.596,927 42.242,928 0.29,929 0.682,930 0.858,931 0.946,932 0.956,933 0.956,934 4.852,935 1.321,936 5.759,937 3.402,938 4.344,939 5.047,940 0.908,941 6.658,942 4.281,943 6.115,944 1.027,945 7.363,946 2.896,947 4.007,948 5.094,950 7.716,951 3.916,952 7.472,953 0.765,954 9.072,955 2.688,956 6.004,957 7.495,958 0.739,959 10.913,960 5.898,961 8.873,962 0.253,963 10.844,964 1.886,965 6.509,966 8.401,968 12.846,969 6.384,970 10.31,971 0.092,972 12.656,973 0.465,974 7.992,975 10.289,976 0.593,977 15.58,978 7.856,979 11.775,980 -0.484,981 14.499,982 0.206,983 8.891,984 11.591,986 17.875,987 8.741,988 13.261,989 -0.569,990 16.363,991 -1.024,992 10.186,993 13.29,994 0.469,995 20.463,996 10.025,997 3.412,998 -0.666,999 18.245,1000 -1.596,1001 11.265,1002 14.77,1004 22.903,1005 11.091,1006 2.841,1007 12.632,1008 20.141,1009 -1.75,1010 12.497,1011 16.405,1012 0.366,1013 25.449,1014 12.311,1015 2.519,1016 9.551,1017 22.049,1018 5.063,1019 13.654,1020 17.962,1022 27.945,1023 13.454,1024 2.12,1025 8.168,1026 23.966,1027 4.161,1028 14.87,1029 19.577,1030 0.283,1031 30.479,1032 14.656,1033 2.027,1034 6.213,1035 25.892,1036 3.554,1037 16.062,1038 21.167,1040 32.999,1041 15.833,1042 1.927,1043 6.1,1044 27.824,1045 2.917,1046 17.276,1047 22.78,1048 0.217,1049 35.531,1050 17.032,1051 1.434,1052 5.737,1053 29.761,1054 2.89,1055 18.483,1056 24.385,1058 38.06,1059 18.224,1060 4727,1061 8082,1062 17.512,1063 26.154,1064 39.461,1065 40.09,1066 41.449,1067 39.466,1068 39.475,1069 55.4,1070 1.72,1071 119.888,1072 38.095,1073 5.688,1074 5.461,1075 7.034,1076 5.434,1077 5.412,1078 8.063,1079 1.72,1080 20.161,1081 5.356,1082 10.295,1083 1.518,1084 1.542,1085 1.594,1086 1.518,1087 1.518,1088 2.131,1089 0.066,1090 4.611,1091 1.465,1092 4.238,1093 4.246,1094 4.225,1095 4.161,1096 6.484,1097 4.175,1098 3.864,1099 3.879,1100 3.821,1101 3.779,1102 6.469,1103 3.786,1104 3.603,1105 3.667,1106 3.474,1107 3.433,1108 5.114,1109 3.426,1110 3.474,1111 3.493,1112 3.369,1113 3.341,1114 4.816,1115 3.345,1116 3.115,1117 3.123,1118 3.052,1119 2.911,1120 4.504,1121 2.941,1122 3.04,1123 3.092,1124 2.927,1125 2.834,1126 4.196,1127 2.855,1128 2.849,1129 2.905,1130 2.737,1131 2.659,1132 4.126,1133 2.656,1134 2.801,1135 2.833,1136 2.659,1137 2.585,1138 3.935,1139 2.607,1140 0.188,1141 0.133,1142 0.276,1143 0.169,1144 0.131,1145 4.897,1146 0.195,1147 3.461,1148 0.033,1149 7.172,1150 0.486,1151 4.396,1152 0.129,1153 3.412,1154 5.063,1155 0.86,1156 12.632,1157 3.356,1158 2.065,1159 2.062,1160 2.109,1161 2.153,1162 1.295,1163 2.134,1164 1.864,1165 1.846,1166 1.958,1167 1.978,1168 1.133,1169 1.97,1170 1.592,1171 1.523,1172 1.882,1173 1.792,1174 1.027,1175 1.826,1176 1.477,1177 1.46,1178 1.552,1179 1.641,1180 0.641,1181 1.612,1182 1.031,1183 1.007,1184 1.339,1185 1.281,1186 0.462,1187 1.292,1188 0.976,1189 0.93,1190 1.197,1191 1.2,1192 0.231,1193 1.202,1194 0.89,1195 0.833,1196 1.093,1197 1.135,1198 0.139,1199 1.12,1200 0.71,1201 0.642,1202 0.979,1203 0.996,1204 0.062,1205 0.976,1206 3.97,1208 5.323,1209 2.398,1210 6.891,1211 4.844,1212 8.57,1213 7.096,1214 10.311,1216 2.041,1221 19.998,1222 1.489,1224 5.839,1231 25.568,1232 57.759,1233 135.995,1234 171.157,1235 188.666,1236 190.666,1237 190.666,1238 35.754,1239 7.741,1240 75.72,1241 75.72,1242 23,1243 12.805,1244 4.392,1245 3.459,1246 31.492,1247 63,1248 83,1249 0.252,1250 153.219,1251 251.96,1252 365.615,1253 22465,1255 15.974,1256 0.695,1257 0.545,1258 15.974,1259 12.536,1260 11.186,1261 0.43,1262 0.288,1263 7.378,1264 10.739,1265 7.234,1266 5.984,1267 11.186,1268 7.485,1269 10.203,1270 0.268,1271 0.143,1272 10.203,1273 5.422,1274 8.891,1275 0.162,1276 0.07,1277 8.891,1278 3.827,1279 8.029,1280 0.098,1281 0.035,1282 8.029,1283 2.863,1284 7.337,1285 0.063,1286 0.018,1287 7.337,1288 2.113,1289 0.371,1290 70.403,1291 0.239,1292 21.661,1293 0.774,1294 128,1295 397.416,1296 142.232,1297 377.391,1298 526.15,1299 354,1300 157,1301 402.605,1302 171.236,1303 402.086,1304 602.56,1305 381,1306 5.77} {0 CHEMBL1946913,1 1.454,2 6.111,3 3.514,4 12.347,5 65.846,6 8.713,7 0.952,8 3.468,9 3.536,10 3.183,11 3.128,12 4.688,13 3.134,14 3.926,15 4.007,16 3.589,17 3.526,18 5.168,19 3.523,20 4.143,21 4.28,22 3.644,23 3.595,24 5.338,25 3.582,26 4.093,27 4.233,28 3.528,29 3.506,30 5.265,31 3.49,32 3.96,33 4.1,34 3.318,35 3.349,36 5.19,37 3.315,38 3.891,39 4.055,40 2.974,41 3.095,42 5.12,43 3.035,44 3.568,45 3.83,46 1.966,47 2.62,48 4.458,49 2.414,50 2.863,51 3.21,52 1.007,53 1.848,54 3.401,55 1.554,56 0.043,57 0.314,58 3.745,59 2.22,60 6.579,61 2.263,62 0.135,63 0.514,64 6.17,65 3.582,66 12.229,67 3.879,68 0.216,69 0.682,70 10.264,71 4.814,72 20.592,73 5.426,74 0.139,75 0.652,76 9.679,77 4.544,78 15.575,79 4.86,80 0.115,81 0.56,82 8.337,83 4.057,84 15.361,85 4.358,86 0.197,87 0.527,88 9.154,89 3.953,90 26.099,91 3.908,92 0.171,93 0.405,94 8.814,95 3.441,96 21.996,97 4.201,98 0.049,99 0.208,100 5.186,101 1.973,102 7.274,103 3.005,104 2,105 31,106 0.273,107 0.512,108 0.657,109 0.81,110 0.88,111 0.893,112 2.965,113 0.819,114 -3.68,115 -3.65,116 -3.47,119 55.6,133 8,134 3,137 2,143 1,144 1,159 10,162 5,164 1,168 11,171 1,172 6,174 1,176 1,178 10,182 4,187 3,190 7,194 4,199 4,202 6,206 3,211 3,213 6,224 4,237 1,255 304,256 12.569,257 12.569,258 12.569,259 12.569,260 12.569,261 10.309,262 2.157,263 7.351,264 12.651,265 10.404,266 10.404,267 10.404,268 10.404,269 10.404,270 7.013,271 1.163,272 3.5,273 10.565,274 3.301,275 2.028,276 1.259,277 0.444,278 0.074,280 3.667,284 1,285 250,286 1.871,288 17.465,289 74.888,291 69.922,292 41.541,295 0.815,296 14.54,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 38.5,307 110,308 4.859,309 3.391,310 7.08,311 4.353,312 3.367,313 5.022,315 12.269,316 3.32,317 4.209,318 2.723,319 6.119,320 3.702,321 2.711,322 4.061,324 8.909,325 2.685,326 3.835,327 2.543,328 5.85,329 3.357,330 2.392,331 3.428,333 7.811,334 2.303,335 3.436,336 1.964,337 5.242,338 2.936,339 1.945,340 2.893,342 6.11,343 1.924,344 3.038,345 1.564,346 4.466,347 2.523,348 1.545,349 2.304,351 4.184,352 1.51,353 2.9,354 1.421,355 3.92,356 2.4,357 1.406,358 2.098,360 3.076,361 1.396,362 2.805,363 1.308,364 3.653,365 2.305,366 1.306,367 1.958,369 2.983,370 1.304,371 2.453,372 1.108,373 3.594,374 1.97,375 1,376 1.432,378 2.59,379 0.965,380 2,381 0.534,382 3.316,383 1.479,384 0.51,385 0.757,386 1.306,387 0.493,388 1.277,389 0.043,390 2.734,391 0.821,392 -0.142,393 -0.194,394 -0.348,395 -0.135,396 0.96,397 -0.54,398 2.53,399 0.446,400 -0.54,401 -0.81,402 -1.456,403 -0.532,404 0.668,405 -0.727,406 2.225,407 0.173,408 -0.815,409 -1.177,411 -1.996,412 -0.799,413 0.5,414 -0.893,415 2,416 -0.009,417 -1,418 -1.389,420 -2.437,421 -0.958,422 0.431,423 -1,424 2,425 -0.036,426 -1,427 -1.5,429 -2.623,430 -0.989,431 0.204,432 -1.154,433 1.697,434 -0.243,435 -1.202,436 -1.743,438 -3.537,439 -1.164,440 8.567,441 0.476,442 0.415,443 0.023,444 28.25,445 1.569,446 16.5,447 0.917,448 11.75,449 0.653,450 9.601,451 0.533,452 17.233,453 0.638,454 17.314,455 0.962,456 5.639,457 0.313,458 3.204,459 0.178,460 0.039,462 0.409,466 0.889,467 0.891,468 0.651,469 0.783,470 0.962,471 0.696,472 0.596,473 1.075,474 0.696,475 0.953,476 0.535,477 0.868,478 0.874,479 0.905,480 0.786,481 0.859,482 0.688,483 0.819,484 1.139,485 1.048,486 0.96,487 1.005,488 0.992,489 0.951,490 1.13,491 1.155,492 1.111,493 1.176,494 1.129,495 1.144,496 1.716,497 1.139,498 1.507,499 1.228,500 1.913,501 1.306,502 1.179,503 0.875,504 1.497,505 1.043,506 1.416,507 1.276,508 0.073,509 0.793,510 0.841,511 0.942,512 0.205,513 1.027,514 2.5,516 2,517 1.604,518 1.44,519 0.431,520 0.176,521 0.049,524 2637,525 7127,526 2.253,527 33.3,529 8,532 1,536 1.596,537 2.16,538 2.654,539 -0.334,543 1,545 39.249,546 1.454,547 2.727,548 3.496,549 4.31,550 4.681,551 4.755,552 2.078,553 3.948,554 4.147,555 2.683,556 410.545,557 7.08,558 3688.79,560 1,562 1,563 128.382,564 1.233,565 4.124,566 0.119,568 0.065,569 0.05,570 0.051,571 0.02,572 0.013,573 0.012,576 0.329,577 1,578 1,579 0.463,580 72.763,581 -0.093,582 0.009,583 0.023,584 0.061,585 -0.189,586 0.063,587 0.201,588 -0.155,589 0.018,590 -0.103,591 0.095,592 -0.085,593 0.108,594 0.078,595 0.113,596 0.065,597 0.105,598 0.08,599 -0.119,600 -0.061,601 -0.051,602 -0.083,603 -0.052,604 -0.055,605 -0.122,606 -0.199,607 -0.197,608 -0.245,609 0.008,610 -0.235,611 -0.315,612 -0.168,613 -0.448,614 -0.24,615 -0.3,616 -0.34,617 -0.197,618 0.1,619 -0.218,620 0.086,621 -0.286,622 -0.038,623 0.274,624 0.175,625 0.617,626 0.304,627 0.262,628 0.478,629 1.792,630 3.941,631 0.944,632 8.877,633 1.011,634 1.095,635 2.451,636 6.005,637 0.739,638 3.091,639 3.466,640 3.85,641 4.234,642 4.554,643 4.673,644 4.82,645 4.977,646 4.949,647 4.86,648 3.788,649 0.724,650 235.25,651 3.091,652 4.654,653 5.557,654 6.482,655 7.408,656 8.342,657 9.275,658 10.212,659 11.148,660 12.086,661 3.7,671 1,674 6,675 8,676 1,678 1,680 1,682 20,696 1,699 27,700 20,701 2,702 21,704 30,705 15,706 15,707 4,708 8,710 4,711 10,721 15,733 1,736 9,737 3,738 1,739 3,743 1,747 0.25,748 2,756 1,759 1,760 3,762 2,763 1,777 1,785 18,788 1,801 7.4,803 1,806 1,808 8.333,809 4.983,810 3.833,811 1.608,812 4.418,813 1.612,814 1.073,815 1.84,816 11.636,817 3.466,818 4.238,819 5.03,820 5.82,821 6.54,822 7.055,823 7.618,824 8.181,825 8.555,826 8.878,827 1,828 32,829 6.624,831 2.963,832 7.731,833 12.599,835 10.83,837 2.231,838 40.167,839 0.001,842 94.169,843 93.879,844 16.786,846 52.191,849 93.879,850 146.36,851 16.786,854 75.81,855 59.469,856 22.74,857 4.836,858 94.169,860 94.169,861 110.664,862 52.191,865 94.169,866 52.191,869 5.513,870 88.365,871 16.786,873 94.169,874 68.976,875 93.879,878 94.169,879 18.069,880 75.81,882 68.976,883 94.169,884 68.976,885 93.879,887 0.588,888 0.364,889 0.222,890 0.133,891 19,892 7,895 3,896 1.353,897 3.025,898 147.876,899 0.353,900 17,901 75.059,904 9.773,905 3.388,906 1.266,907 5.017,908 68.976,909 15.515,910 4.421,912 5.398,914 -0.125,916 42.683,917 257.024,918 31,926 27.291,927 29.578,928 0.306,929 0.574,930 0.735,931 0.907,932 0.984,933 1,934 4.691,935 1,936 5.557,937 2.983,938 4.143,939 4.924,941 6.457,942 4.111,943 5.96,944 0.51,945 7.16,946 2.59,947 3.761,948 4.913,950 7.509,951 3.704,952 7.315,953 -0.142,954 8.87,955 1.306,956 5.802,957 7.387,959 10.708,960 5.742,961 8.716,962 -0.54,963 10.644,964 -0.348,965 6.293,966 8.266,968 12.633,969 6.209,970 10.155,971 -0.815,972 12.46,973 -1.456,974 7.799,975 10.188,977 15.353,978 7.712,979 11.621,980 -1,981 14.304,982 -1.996,983 8.694,984 11.477,986 17.628,987 8.586,988 13.109,989 -1,990 16.169,991 -2.437,992 9.997,993 13.188,995 20.198,996 9.883,997 3.367,998 -1.202,999 18.049,1000 -2.623,1001 11.071,1002 14.66,1004 22.613,1005 10.939,1006 2.711,1007 12.269,1008 19.942,1009 -3.537,1010 12.302,1011 16.297,1013 25.136,1014 12.161,1015 2.392,1016 8.909,1017 21.845,1018 5.022,1019 13.453,1020 17.847,1022 27.606,1023 13.297,1024 1.945,1025 7.811,1026 23.756,1027 4.061,1028 14.664,1029 19.46,1031 30.116,1032 14.496,1033 1.545,1034 6.11,1035 25.674,1036 3.428,1037 15.848,1038 21.044,1040 32.607,1041 15.664,1042 1.406,1043 4.184,1044 27.598,1045 2.893,1046 17.054,1047 22.652,1049 35.114,1050 16.858,1051 1.306,1052 3.076,1053 29.526,1054 2.304,1055 18.253,1056 24.25,1058 37.615,1059 18.042,1060 2478,1061 4175,1062 14.622,1063 19.96,1064 32.501,1065 32.378,1066 33.341,1067 32.391,1068 32.364,1069 47.904,1071 98.478,1072 31.801,1073 5.359,1074 5.391,1075 6.762,1076 5.353,1077 5.367,1078 8.022,1080 19.793,1081 5.32,1082 4.695,1083 1.548,1084 1.542,1085 1.588,1086 1.542,1087 1.541,1088 2.281,1090 4.689,1091 1.514,1092 4.234,1093 4.244,1094 4.216,1095 4.161,1096 6.482,1097 4.172,1098 3.851,1099 3.874,1100 3.797,1101 3.779,1102 5.121,1103 3.779,1104 3.473,1105 3.497,1106 3.406,1107 3.353,1108 4.808,1109 3.36,1110 3.106,1111 3.117,1112 3.041,1113 2.909,1114 4.376,1115 2.936,1116 2.943,1117 2.999,1118 2.849,1119 2.813,1120 4.213,1121 2.817,1122 2.759,1123 2.815,1124 2.625,1125 2.625,1126 3.825,1127 2.614,1128 2.711,1129 2.752,1130 2.585,1131 2.558,1132 3.546,1133 2.564,1134 2.187,1135 2.256,1136 2.036,1137 1.911,1138 3.272,1139 1.939,1140 0.231,1141 0.161,1142 0.337,1143 0.207,1144 0.16,1145 4.859,1146 0.239,1147 3.391,1149 7.08,1150 0.584,1151 4.353,1152 0.158,1153 3.367,1154 5.022,1156 12.269,1157 3.32,1158 2.07,1159 2.064,1160 2.128,1161 2.153,1162 1.293,1163 2.14,1164 1.867,1165 1.843,1166 1.97,1167 1.965,1168 1.04,1169 1.967,1170 1.487,1171 1.463,1172 1.578,1173 1.634,1174 0.661,1175 1.619,1176 1.032,1177 1.006,1178 1.207,1179 1.22,1180 0.243,1181 1.21,1182 0.943,1183 0.9,1184 1.142,1185 1.132,1186 0.193,1187 1.135,1188 0.803,1189 0.745,1190 1.07,1191 0.994,1192 0.13,1193 1.024,1194 0.611,1195 0.577,1196 0.837,1197 0.862,1199 0.848,1200 0.361,1201 0.321,1202 0.649,1203 0.705,1205 0.705,1206 3.761,1208 5.118,1209 2.398,1210 6.698,1211 4.844,1212 8.384,1213 7.081,1214 10.124,1221 9.941,1231 19.558,1232 39.249,1233 73.627,1234 94.382,1235 116.382,1236 126.382,1237 128.382,1238 19.404,1239 7.218,1240 46.26,1241 46.26,1242 23,1243 12.583,1244 4.392,1245 3.459,1246 22.416,1247 41,1248 35,1249 0.287,1250 116.45,1251 182.48,1252 275.897,1253 11806,1255 12.113,1256 0.673,1257 0.523,1258 12.113,1259 9.421,1260 8.843,1261 0.421,1262 0.273,1263 5.676,1264 8.601,1265 5.582,1266 4.592,1267 8.843,1268 5.734,1269 8.107,1270 0.262,1271 0.137,1272 8.107,1273 4.256,1274 7.399,1275 0.161,1276 0.07,1277 7.399,1278 3.208,1279 6.795,1280 0.1,1281 0.036,1282 6.795,1283 2.429,1284 6.076,1285 0.065,1286 0.019,1287 6.076,1288 1.748,1289 0.413,1290 54.862,1291 0.262,1292 17.214,1293 0.916,1294 104,1295 293.53,1296 112.586,1297 286.835,1298 408.17,1299 270,1300 129,1301 319.12,1302 137.921,1303 322.215,1304 483.13,1305 306,1306 5} {0 CHEMBL1946914,1 1.509,2 6.35,3 3.498,4 12.233,5 72.309,6 8.557,7 0.87,8 3.601,9 3.668,10 3.294,11 3.199,12 4.823,13 3.215,14 4.076,15 4.171,16 3.69,17 3.586,18 5.296,19 3.599,20 4.239,21 4.355,22 3.792,23 3.684,24 5.451,25 3.694,26 4.27,27 4.387,28 3.765,29 3.67,30 5.475,31 3.675,32 4.26,33 4.395,34 3.64,35 3.596,36 5.472,37 3.58,38 4.257,39 4.417,40 3.374,41 3.423,42 5.486,43 3.378,44 4.018,45 4.254,46 2.58,47 3.059,48 5.001,49 2.898,50 3.52,51 3.816,52 1.601,53 2.465,54 4.324,55 2.197,56 0.069,57 0.383,58 4.67,59 2.759,60 7.401,61 2.769,62 0.246,63 0.627,64 8.939,65 4.507,66 18.633,67 4.665,68 0.274,69 0.753,70 11.223,71 5.325,72 21.995,73 5.678,74 0.283,75 0.775,76 11.448,77 5.477,78 19.019,79 5.728,80 0.241,81 0.758,82 12.001,83 5.697,84 21.074,85 6.163,86 0.427,87 0.749,88 13.876,89 5.682,90 38.424,91 5.809,92 0.315,93 0.62,94 12.965,95 4.827,96 31.259,97 5.614,98 0.174,99 0.368,100 9.138,101 3.363,102 21.582,103 4.543,104 6,105 34,106 0.276,107 0.607,108 0.735,109 0.851,110 0.879,111 0.879,112 3.062,113 0.817,114 -3.39,115 -3.37,116 -3.23,119 51.6,123 1,133 7,134 3,135 1,137 2,143 1,144 1,159 8,162 7,164 1,168 9,171 1,172 7,174 1,176 1,178 8,181 1,182 5,187 3,190 6,193 1,194 5,199 3,202 4,206 5,209 1,211 3,213 5,217 1,224 4,237 1,255 420,256 13.939,257 13.939,258 13.939,259 13.939,260 13.939,261 11.687,262 6.47,263 8.048,264 14.193,265 11.314,266 11.314,267 11.314,268 11.314,269 11.314,270 7.836,271 5.814,272 3.719,273 11.653,274 3.445,275 1.639,276 0.941,277 0.307,278 0.153,279 0.153,280 3.762,283 1,284 1,285 282,286 2.236,288 20.42,289 86.647,291 81.25,292 47.773,295 0.885,296 18.778,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 43.5,307 127,308 4.89,309 3.45,310 7.165,311 4.389,312 3.405,313 5.055,314 0.86,315 12.599,316 3.352,317 4.291,318 2.939,319 6.338,320 3.796,321 2.819,322 4.148,324 9.584,325 2.755,326 3.902,327 2.653,328 5.901,329 3.437,330 2.477,331 3.5,333 8.018,334 2.371,335 3.483,336 2.211,337 5.265,338 2.997,339 2.018,340 2.948,342 6.276,343 1.976,344 3.282,345 1.948,346 5.089,347 2.814,348 1.854,349 2.61,351 5.646,352 1.769,353 2.97,354 1.547,355 4.376,356 2.468,357 1.494,358 2.192,360 3.883,361 1.453,362 2.82,363 1.334,364 3.885,365 2.32,366 1.322,367 1.978,369 3.054,370 1.319,371 2.615,372 1.268,373 3.603,374 2.141,375 1.171,376 1.664,378 2.792,379 1.13,380 2.056,381 1.029,382 3.355,383 1.571,384 0.644,385 0.871,386 1.517,387 0.591,388 1.644,389 0.574,390 3.055,391 1.303,392 0.399,393 0.491,394 0.699,395 0.359,396 1.272,397 0.064,398 2.714,399 0.82,400 -0.139,401 -0.189,402 -0.355,403 -0.132,404 0.965,405 -0.237,406 2.47,407 0.494,408 -0.466,409 -0.64,411 -1.047,412 -0.442,413 0.691,414 -0.669,415 2.23,416 0.212,417 -0.762,418 -1.083,420 -1.886,421 -0.735,422 0.542,423 -0.734,424 2.223,425 0.073,426 -0.892,427 -1.22,429 -2.212,430 -0.849,431 0.454,432 -0.947,433 2,434 -0.027,435 -1,436 -1.45,438 -2.742,439 -0.973,440 9.4,441 0.47,442 0.466,443 0.023,444 30.25,445 1.513,446 17,447 0.85,448 13.25,449 0.663,450 11.948,451 0.597,452 20,453 0.645,454 20.146,455 1.007,456 6.14,457 0.307,458 3.652,459 0.183,460 0.089,462 0.426,466 0.902,467 1.006,468 0.663,469 0.903,470 0.956,471 0.767,472 0.9,473 0.947,474 0.7,475 0.808,476 0.658,477 0.73,478 0.95,479 0.927,480 0.749,481 0.861,482 0.746,483 0.782,484 0.994,485 1.089,486 0.891,487 1.045,488 0.936,489 0.958,490 1.037,491 1.166,492 0.999,493 1.183,494 0.993,495 1.108,496 1.411,497 1.128,498 1.37,499 1.164,500 1.445,501 1.238,502 1.242,503 0.956,504 1.549,505 1.1,506 1.387,507 1.324,508 0.765,509 0.9,510 1.287,511 1.053,512 1.34,513 1.251,514 3,516 2.222,517 1.917,518 1.746,519 0.83,520 0.334,521 0.092,522 0.02,524 3323,525 9421,526 2.195,527 35.5,529 10,532 1,536 1.629,537 2.069,538 2.704,539 -0.32,541 1,542 1,543 1,545 46.771,546 1.509,547 3.315,548 4.014,549 4.647,550 4.801,551 4.801,552 2.088,553 4.122,554 4.297,555 2.755,556 523.537,557 7.397,558 5103.88,559 1,560 1,561 1,562 1,563 153.58,564 1.361,565 4.262,566 0.13,568 0.065,569 0.052,570 0.05,571 0.028,572 0.016,573 0.012,574 0.01,576 0.363,577 0.83,578 1,579 0.764,580 84.336,581 -0.089,582 -0.049,583 0.036,584 0.003,585 -0.173,586 0.038,587 0.043,588 0.028,589 0.095,590 0.114,591 0.052,592 0.114,593 0.024,594 0.07,595 0.099,596 0.063,597 0.064,598 0.086,599 0.015,600 -0.1,601 -0.032,602 -0.124,603 -0.022,604 -0.092,605 -0.036,606 -0.21,607 -0.091,608 -0.239,609 0.032,610 -0.194,611 -0.139,612 -0.167,613 -0.342,614 -0.201,615 -0.087,616 -0.293,617 -0.246,618 0.025,619 -0.404,620 -0.089,621 -0.281,622 -0.235,623 -0.026,624 0.005,625 -0.016,626 0.041,627 -0.19,628 0.017,629 1.836,630 4.064,631 0.85,632 10.9,633 1.016,634 1.103,635 2.16,636 4.666,637 0.715,638 3.178,639 3.555,640 3.951,641 4.344,642 4.673,643 4.828,644 4.977,645 5.118,646 5.136,647 5.112,648 4.025,649 0.703,650 265.28,651 3.178,652 4.745,653 5.652,654 6.583,655 7.516,656 8.457,657 9.397,658 10.341,659 11.283,660 12.228,661 3.2,671 1,674 6,675 7,676 1,678 1,680 2,682 20,696 1,697 1,699 31,700 20,701 2,702 23,704 34,705 16,706 15,707 5,708 7,710 4,711 10,721 15,722 1,732 1,733 1,736 11,737 4,738 1,739 4,743 1,747 0.25,748 3,756 1,759 1,760 3,762 2,763 1,777 1,781 1,785 20,788 1,791 1,801 9.7,803 1,806 2,808 9.667,809 6.067,810 4.361,811 1.768,812 4.431,813 1.596,814 1.036,815 2.379,816 11.869,817 3.526,818 4.294,819 5.091,820 5.887,821 6.613,822 7.149,823 7.708,824 8.265,825 8.669,826 9.03,827 1,828 37,829 7.359,831 3.248,832 7.767,833 13.908,835 11.722,837 2.267,838 45.333,839 0.001,842 117.711,843 100.529,844 16.786,846 63.191,849 100.529,850 180.902,851 16.786,852 10.883,854 66.334,855 59.469,856 38.983,857 4.836,858 117.711,860 117.711,861 117.314,862 63.191,865 117.711,866 63.191,869 5.513,870 95.015,871 16.786,873 117.711,874 79.976,875 100.529,878 117.711,879 23.312,880 77.217,882 79.976,883 117.711,884 79.976,885 100.529,887 0.585,888 0.371,889 0.227,890 0.136,891 20,892 8,893 0.029,894 1,895 3,896 1.353,897 3.131,898 171.768,899 0.353,900 17,901 86.439,904 11.557,905 4.117,906 1.537,907 4.526,908 79.976,909 13.267,910 4.441,912 5.46,914 0.534,916 42.683,917 298.216,918 33,926 31.502,927 34.203,928 0.305,929 0.669,930 0.81,931 0.938,932 0.969,933 0.969,934 4.762,935 1.171,936 5.659,937 3.054,938 4.234,939 4.98,940 0.908,941 6.575,942 4.182,943 6.032,944 0.644,945 7.274,946 2.792,947 3.892,948 5.007,950 7.667,951 3.816,952 7.393,953 0.399,954 8.995,955 1.517,956 5.911,957 7.447,958 0.739,959 10.866,960 5.822,961 8.8,962 -0.139,963 10.777,964 0.699,965 6.431,966 8.351,968 12.821,969 6.319,970 10.243,971 -0.466,972 12.601,973 -0.355,974 7.922,975 10.254,976 0.593,977 15.552,978 7.803,979 11.714,980 -0.762,981 14.453,982 -1.047,983 8.836,984 11.558,986 17.855,987 8.697,988 13.206,989 -0.892,990 16.325,991 -1.886,992 10.133,993 13.263,994 0.469,995 20.44,996 9.987,997 3.405,998 -1,999 18.214,1000 -2.212,1001 11.22,1002 14.745,1004 22.881,1005 11.057,1006 2.819,1007 12.599,1008 20.115,1009 -2.742,1010 12.453,1011 16.381,1012 0.366,1013 25.423,1014 12.28,1015 2.477,1016 9.584,1017 22.026,1018 5.055,1019 13.614,1020 17.938,1022 27.918,1023 13.425,1024 2.018,1025 8.018,1026 23.946,1027 4.148,1028 14.829,1029 19.554,1030 0.283,1031 30.45,1032 14.629,1033 1.854,1034 6.276,1035 25.873,1036 3.5,1037 16.021,1038 21.143,1040 32.966,1041 15.806,1042 1.494,1043 5.646,1044 27.806,1045 2.948,1046 17.235,1047 22.755,1048 0.217,1049 35.496,1050 17.006,1051 1.322,1052 3.883,1053 29.745,1054 2.61,1055 18.441,1056 24.359,1058 38.021,1059 18.198,1060 3179,1061 5460,1062 15.72,1063 22.176,1064 35.211,1065 35.66,1066 36.933,1067 35.168,1068 35.204,1069 50.916,1070 1.72,1071 108.138,1072 34.148,1073 5.446,1074 5.45,1075 6.845,1076 5.392,1077 5.405,1078 8.055,1079 1.72,1080 20.171,1081 5.352,1082 7.372,1083 1.531,1084 1.55,1085 1.606,1086 1.529,1087 1.531,1088 2.214,1089 0.075,1090 4.702,1091 1.485,1092 4.237,1093 4.245,1094 4.222,1095 4.161,1096 6.482,1097 4.173,1098 3.858,1099 3.877,1100 3.81,1101 3.78,1102 5.132,1103 3.783,1104 3.49,1105 3.509,1106 3.428,1107 3.356,1108 4.834,1109 3.366,1110 3.262,1111 3.318,1112 3.13,1113 3.003,1114 4.604,1115 3.027,1116 3.05,1117 3.07,1118 2.926,1119 2.829,1120 4.281,1121 2.834,1122 2.942,1123 2.997,1124 2.847,1125 2.802,1126 4.128,1127 2.815,1128 2.719,1129 2.756,1130 2.601,1131 2.569,1132 3.796,1133 2.566,1134 2.676,1135 2.738,1136 2.511,1137 2.542,1138 3.419,1139 2.532,1140 0.213,1141 0.15,1142 0.312,1143 0.191,1144 0.148,1145 4.89,1146 0.22,1147 3.45,1148 0.037,1149 7.165,1150 0.548,1151 4.389,1152 0.146,1153 3.405,1154 5.055,1155 0.86,1156 12.599,1157 3.352,1158 2.066,1159 2.063,1160 2.113,1161 2.154,1162 1.296,1163 2.136,1164 1.867,1165 1.843,1166 1.965,1167 1.965,1168 1.04,1169 1.967,1170 1.489,1171 1.468,1172 1.597,1173 1.661,1174 0.663,1175 1.637,1176 1.203,1177 1.141,1178 1.551,1179 1.499,1180 0.572,1181 1.519,1182 1.002,1183 0.963,1184 1.15,1185 1.181,1186 0.221,1187 1.168,1188 0.917,1189 0.877,1190 1.14,1191 1.132,1192 0.171,1193 1.133,1194 0.755,1195 0.697,1196 1.012,1197 0.948,1198 0.09,1199 0.972,1200 0.593,1201 0.562,1202 0.804,1203 0.858,1205 0.842,1206 3.85,1208 5.209,1209 2.398,1210 6.795,1211 4.844,1212 8.488,1213 7.081,1214 10.239,1216 1.617,1221 10.064,1224 5.424,1231 21.8,1232 46.771,1233 102.767,1234 124.419,1235 144.07,1236 148.825,1237 148.825,1238 24.155,1239 7.438,1240 55.49,1241 55.49,1242 23,1243 12.721,1244 4.392,1245 3.459,1246 25.814,1247 48,1248 46,1249 0.28,1250 130.038,1251 208.57,1252 309.053,1253 15315,1255 13.69,1256 0.684,1257 0.538,1258 13.69,1259 10.752,1260 9.792,1261 0.426,1262 0.272,1263 6.163,1264 9.396,1265 6.026,1266 4.977,1267 9.792,1268 6.263,1269 8.835,1270 0.26,1271 0.135,1272 8.835,1273 4.593,1274 8.144,1275 0.16,1276 0.069,1277 8.144,1278 3.51,1279 7.487,1280 0.099,1281 0.035,1282 7.487,1283 2.659,1284 6.66,1285 0.063,1286 0.018,1287 6.66,1288 1.918,1289 0.403,1290 61.67,1291 0.252,1292 18.888,1293 0.893,1294 114,1295 349.266,1296 125.464,1297 333.04,1298 469.14,1299 314,1300 142,1301 360.665,1302 153.911,1303 363.68,1304 544.37,1305 343,1306 5} {0 CHEMBL1946915,1 1.43,2 8.52,3 4.765,4 22.704,5 92.676,6 8.614,7 0.897,8 3.795,9 3.863,10 3.491,11 3.453,12 5.034,13 3.455,14 4.248,15 4.329,16 3.901,17 3.862,18 5.498,19 3.853,20 4.505,21 4.636,22 3.988,23 3.982,24 5.708,25 3.96,26 4.52,27 4.66,28 3.946,29 3.98,30 5.666,31 3.948,32 4.497,33 4.646,34 3.9,35 3.967,36 5.647,37 3.922,38 4.521,39 4.675,40 3.821,41 3.896,42 5.716,43 3.848,44 4.431,45 4.617,46 3.518,47 3.697,48 5.565,49 3.614,50 4.231,51 4.439,52 3.224,53 3.368,54 5.408,55 3.279,56 0.069,57 0.433,58 5.536,59 3.2,60 11.609,61 3.253,62 0.146,63 0.7,64 8.784,65 5.138,66 14.794,67 5.648,68 0.275,69 0.957,70 14.708,71 7.093,72 31.804,73 7.915,74 0.197,75 0.978,76 15.118,77 7.315,78 27.541,79 8.171,80 0.153,81 0.964,82 14.622,83 7.253,84 22.522,85 8.471,86 0.214,87 1,88 15.625,89 7.353,90 31.081,91 8.125,92 0.255,93 0.921,94 16.383,95 7.224,96 36.123,97 8.238,98 0.262,99 0.749,100 15.001,101 6.294,102 35.831,103 7.475,104 5,105 43,106 0.247,107 0.503,108 0.673,109 0.837,110 0.871,111 0.871,112 3.269,113 0.822,114 -4.33,115 -4.27,116 -4.03,119 55.3,133 11,134 5,135 1,137 2,143 1,144 1,159 15,162 5,164 1,166 2,168 19,171 1,172 6,174 1,176 3,178 20,182 5,187 4,190 17,194 6,199 5,202 15,206 6,211 6,213 14,217 2,222 4,224 11,229 2,232 1,234 4,237 7,247 1,250 2,255 833,256 17.292,257 17.292,258 17.292,259 17.292,260 17.292,261 14.327,262 4.313,263 10.016,264 17.415,265 14.347,266 14.347,267 14.347,268 14.347,269 14.347,270 9.891,271 2.326,272 4.771,273 14.589,274 3.818,275 2.338,276 1.357,277 0.408,278 0.211,279 0.211,280 3.986,284 1,285 482,286 2.236,288 26.526,289 172.996,291 108.415,292 67.516,295 1.181,296 22.991,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53.5,307 213,308 4.905,309 3.443,310 7.2,311 4.414,312 3.425,313 5.068,315 12.74,316 3.386,317 4.354,318 2.954,319 6.467,320 3.917,321 2.922,322 4.182,324 10.022,325 2.907,326 4.047,327 2.661,328 5.971,329 3.573,330 2.59,331 3.717,333 8.37,334 2.544,335 3.835,336 2.558,337 5.715,338 3.364,339 2.399,340 3.419,342 7.472,343 2.309,344 3.545,345 2.331,346 5.242,347 3.128,348 2.164,349 2.929,351 6.114,352 2.077,353 3.435,354 1.957,355 5.043,356 2.932,357 1.943,358 2.892,360 6.031,361 1.92,362 2.989,363 1.549,364 4.586,365 2.488,366 1.506,367 2.223,369 4.369,370 1.477,371 2.895,372 1.427,373 4.074,374 2.399,375 1.407,376 2.084,378 3.325,379 1.393,380 2.808,381 1.314,382 3.895,383 2.309,384 1.311,385 1.961,386 2.997,387 1.309,388 2.5,389 1.113,390 3.656,391 2,392 1,393 1.5,394 2.653,395 1,396 2.453,397 1,398 3.465,399 1.97,400 1,401 1.433,402 2.275,403 0.966,404 2.106,405 0.68,406 3.414,407 1.602,408 0.639,409 0.926,411 1.75,412 0.613,413 1.311,414 0.14,415 2.774,416 0.88,417 -0.082,418 -0.109,420 -0.194,421 -0.078,422 1.18,423 0.033,424 2.684,425 0.769,426 -0.186,427 -0.245,429 -0.436,430 -0.175,431 0.957,432 -0.503,433 2.523,434 0.449,435 -0.534,436 -0.787,438 -1.431,439 -0.522,440 11.9,441 0.476,442 0.624,443 0.025,444 39,445 1.56,446 23,447 0.92,448 16,449 0.64,450 15.58,451 0.623,452 24.1,453 0.634,454 28.069,455 1.123,456 7.769,457 0.311,458 4.452,459 0.178,460 0.056,462 0.42,466 0.926,467 0.835,468 0.687,469 0.749,470 0.997,471 0.689,472 0.59,473 1.046,474 0.702,475 0.951,476 0.527,477 0.871,478 0.892,479 0.901,480 0.844,481 0.873,482 0.787,483 0.856,484 0.944,485 1.002,486 0.92,487 0.952,488 0.856,489 0.933,490 0.74,491 1.055,492 0.912,493 1.015,494 0.683,495 0.998,496 1.051,497 1.134,498 1.13,499 1.135,500 1.016,501 1.138,502 1.13,503 1.071,504 1.249,505 1.144,506 1.146,507 1.201,508 1.16,509 1.055,510 1.161,511 1.155,512 1.215,513 1.166,514 4,515 0.037,516 2.889,517 1.944,518 1.933,519 1.007,520 0.612,521 0.306,522 0.182,523 0.128,524 6619,525 18676,526 2.225,527 34.2,529 11,532 2,536 1.689,537 2.113,538 3.049,539 0.194,545 54.322,546 1.43,547 2.909,548 3.891,549 4.84,550 5.037,551 5.037,552 2.449,553 4.214,554 4.616,555 3.145,556 943.5,557 8.027,558 10667.8,560 1,563 199.421,564 1.311,565 4.59,566 0.138,567 0.007,568 0.067,569 0.042,570 0.044,571 0.024,572 0.017,573 0.012,574 0.01,575 0.014,576 0.375,577 0.33,578 0.88,579 0.477,580 116.174,581 -0.115,582 0.075,583 0.004,584 0.114,585 -0.201,586 0.089,587 0.139,588 -0.123,589 0.013,590 -0.083,591 0.074,592 -0.067,593 0.031,594 0.073,595 0.034,596 0.056,597 0.015,598 0.044,599 -0.089,600 -0.03,601 -0.031,602 -0.015,603 -0.074,604 -0.011,605 -0.036,606 -0.086,607 -0.032,608 -0.076,609 0.015,610 -0.057,611 -0.119,612 -0.14,613 -0.193,614 -0.189,615 -0.078,616 -0.198,617 -0.137,618 -0.088,619 -0.203,620 -0.139,621 -0.123,622 -0.172,624 -0.087,625 0.001,626 -0.096,627 0.001,628 -0.062,629 1.846,630 4.306,631 0.92,632 16.704,633 1.01,634 1.095,635 3.102,636 9.621,637 0.735,638 3.401,639 3.784,640 4.159,641 4.543,642 4.898,643 5.075,644 5.278,645 5.485,646 5.591,647 5.673,648 4.992,649 0.719,650 327.35,651 3.401,652 4.977,653 5.878,654 6.804,655 7.73,656 8.666,657 9.603,658 10.544,659 11.486,660 12.43,661 2.6,671 1,674 6,675 11,676 1,678 1,680 4,682 26,696 2,699 38,700 26,701 3,702 29,704 42,705 21,706 21,707 7,708 11,710 5,711 11,721 21,736 13,737 4,738 2,739 4,743 1,747 0.4,748 3,756 1,759 1,760 4,762 2,763 1,777 2,785 25,788 2,801 7.9,803 2,806 1,808 11.833,809 6.933,810 5.306,811 2.228,812 5.466,813 1.666,814 1.045,815 2.995,816 13.675,817 3.761,818 4.519,819 5.288,820 6.067,821 6.804,822 7.345,823 7.945,824 8.542,825 9.02,826 9.471,827 0.833,828 46,829 9.212,831 4.135,832 7.787,833 17.453,835 15.037,837 2.287,838 57.167,842 129.482,843 128.678,844 16.786,846 94.874,849 128.678,850 224.356,851 16.786,854 104.239,855 102.152,856 29.111,857 4.836,858 129.482,860 129.482,861 145.464,862 94.874,865 129.482,866 94.874,869 5.513,870 123.165,871 16.786,873 129.482,874 111.66,875 128.678,878 129.482,879 24.44,880 104.239,882 111.66,883 129.482,884 111.66,885 128.678,887 0.592,888 0.359,889 0.212,890 0.13,891 25,892 10,893 0.024,894 1,895 3,896 1.261,897 3.61,898 237.03,899 0.261,900 23,901 112.096,904 14.316,905 5.23,906 2.096,907 4.609,908 111.66,909 20.566,910 4.575,912 5.526,914 2.016,916 85.367,917 369.82,918 42,926 38.385,927 41.618,928 0.272,929 0.554,930 0.741,931 0.922,932 0.96,933 0.96,934 5.001,935 1.407,936 5.883,937 4.369,938 4.466,939 5.207,941 6.781,942 4.433,943 6.267,944 1.311,945 7.487,946 3.325,947 4.111,948 5.173,950 7.837,951 4.05,952 7.618,953 1,954 9.195,955 2.997,956 6.129,957 7.632,959 11.031,960 6.072,961 9.013,962 1,963 10.966,964 2.653,965 6.621,966 8.473,968 12.965,969 6.543,970 10.443,971 0.639,972 12.778,973 2.275,974 8.115,975 10.39,977 15.696,978 8.038,979 11.899,980 -0.082,981 14.62,982 1.75,983 9.002,984 11.649,986 17.99,987 8.909,988 13.378,989 -0.186,990 16.485,991 -0.194,992 10.3,993 13.359,995 20.578,996 10.205,997 3.425,998 -0.534,999 18.366,1000 -0.436,1001 11.37,1002 14.815,1004 23.019,1005 11.261,1006 2.922,1007 12.74,1008 20.262,1009 -1.431,1010 12.601,1011 16.451,1013 25.566,1014 12.486,1015 2.59,1016 10.022,1017 22.169,1018 5.068,1019 13.752,1020 17.996,1022 28.066,1023 13.626,1024 2.399,1025 8.37,1026 24.086,1027 4.182,1028 14.967,1029 19.611,1031 30.604,1032 14.831,1033 2.164,1034 7.472,1035 26.01,1036 3.717,1037 16.155,1038 21.195,1040 33.127,1041 16.007,1042 1.943,1043 6.114,1044 27.941,1045 3.419,1046 17.368,1047 22.807,1049 35.665,1050 17.21,1051 1.506,1052 6.031,1053 29.878,1054 2.929,1055 18.574,1056 24.409,1058 38.199,1059 18.404,1060 6121,1061 10395,1062 19.997,1063 27.938,1064 44.984,1065 44.709,1066 46.283,1067 44.687,1068 44.61,1069 64.669,1071 136.237,1072 43.801,1073 5.548,1074 5.443,1075 6.881,1076 5.423,1077 5.425,1078 8.068,1080 20.296,1081 5.386,1082 8.883,1083 1.551,1084 1.542,1085 1.596,1086 1.541,1087 1.538,1088 2.23,1090 4.698,1091 1.51,1092 4.248,1093 4.257,1094 4.232,1095 4.182,1096 6.482,1097 4.191,1098 3.93,1099 3.946,1100 3.882,1101 3.866,1102 6.47,1103 3.867,1104 3.783,1105 3.809,1106 3.726,1107 3.708,1108 5.12,1109 3.708,1110 3.465,1111 3.487,1112 3.4,1113 3.348,1114 4.816,1115 3.355,1116 3.106,1117 3.117,1118 3.042,1119 2.933,1120 4.586,1121 2.946,1122 3.035,1123 3.061,1124 2.968,1125 2.882,1126 4.357,1127 2.908,1128 2.854,1129 2.925,1130 2.715,1131 2.735,1132 4.184,1133 2.715,1134 2.811,1135 2.861,1136 2.687,1137 2.678,1138 3.787,1139 2.678,1140 0.169,1141 0.119,1142 0.248,1143 0.152,1144 0.118,1145 4.905,1146 0.175,1147 3.443,1149 7.2,1150 0.439,1151 4.414,1152 0.117,1153 3.425,1154 5.068,1156 12.74,1157 3.386,1158 2.087,1159 2.081,1160 2.14,1161 2.159,1162 1.327,1163 2.149,1164 1.946,1165 1.929,1166 2.031,1167 2.034,1168 1.131,1169 2.033,1170 1.753,1171 1.729,1172 1.865,1173 1.855,1174 0.937,1175 1.858,1176 1.484,1177 1.461,1178 1.574,1179 1.63,1180 0.661,1181 1.615,1182 1.032,1183 1.007,1184 1.206,1185 1.224,1186 0.245,1187 1.21,1188 0.98,1189 0.954,1190 1.181,1191 1.155,1192 0.218,1193 1.15,1194 0.886,1195 0.83,1196 1.137,1197 1.078,1198 0.218,1199 1.107,1200 0.873,1201 0.821,1202 1.081,1203 1.062,1204 0.151,1205 1.075,1206 4.078,1208 5.442,1209 2.398,1210 7.022,1211 4.844,1212 8.703,1213 7.096,1214 10.44,1221 19.874,1231 27.327,1232 54.322,1233 110.559,1234 147.858,1235 183.911,1236 191.421,1237 191.421,1238 33.261,1239 8.209,1240 66.49,1241 66.49,1242 29,1243 12.924,1244 4.755,1245 3.807,1246 31.784,1247 73,1248 90,1249 0.216,1250 161.824,1251 263.89,1252 386.611,1253 41507,1255 16.966,1256 0.679,1257 0.524,1258 16.966,1259 13.101,1260 12.22,1261 0.421,1262 0.274,1263 7.872,1264 11.906,1265 7.733,1266 6.36,1267 12.22,1268 7.945,1269 11.35,1270 0.264,1271 0.139,1272 11.35,1273 5.985,1274 10.199,1275 0.162,1276 0.072,1277 10.199,1278 4.505,1279 9.184,1280 0.099,1281 0.037,1282 9.184,1283 3.404,1284 8.369,1285 0.063,1286 0.019,1287 8.369,1288 2.525,1289 0.321,1290 75.702,1291 0.224,1292 23.34,1293 0.655,1294 144,1295 401.68,1296 154.689,1297 394.552,1298 557.18,1299 370,1300 178,1301 431.15,1302 188.582,1303 437.323,1304 652.89,1305 415,1306 5} {0 CHEMBL1946916,1 1.526,2 6.737,3 3.247,4 10.54,5 67.54,6 8.973,7 0.909,8 3.518,9 3.578,10 3.238,11 3.139,12 4.799,13 3.161,14 3.96,15 4.029,16 3.658,17 3.542,18 5.275,19 3.557,20 4.195,21 4.313,22 3.716,23 3.621,24 5.473,25 3.627,26 4.172,27 4.308,28 3.618,29 3.541,30 5.433,31 3.537,32 4.031,33 4.167,34 3.411,35 3.378,36 5.294,37 3.365,38 3.954,39 4.096,40 3.173,41 3.136,42 5.37,43 3.116,44 3.693,45 3.911,46 2.441,47 2.701,48 4.885,49 2.584,50 3.114,51 3.409,52 1.725,53 2.037,54 4.116,55 1.879,56 0.102,57 0.339,58 3.776,59 2.38,60 12.48,61 2.146,62 0.185,63 0.544,64 5.743,65 3.759,66 13.112,67 3.762,68 0.32,69 0.713,70 10.025,71 4.975,72 30.398,73 5.019,74 0.317,75 0.705,76 10.324,77 4.965,78 30.504,79 5.205,80 0.219,81 0.602,82 8.85,83 4.385,84 21.261,85 4.455,86 0.344,87 0.548,88 9.059,89 4.081,90 41.669,91 3.91,92 0.304,93 0.43,94 9.44,95 3.595,96 35.972,97 3.986,98 0.122,99 0.255,100 6.324,101 2.202,102 14.524,103 3.028,104 5,105 33,106 0.285,107 0.564,108 0.726,109 0.871,110 0.897,111 0.897,112 3.014,113 0.8,114 -3.14,115 -3.14,116 -3.01,119 53.6,133 7,134 3,135 1,137 2,143 1,144 1,159 8,162 5,164 1,166 2,168 10,171 1,172 5,174 1,176 2,178 9,182 4,185 1,187 4,190 6,194 4,199 4,202 5,206 2,210 1,211 4,213 5,220 1,222 1,224 2,234 2,247 1,255 354,256 13.016,257 13.016,258 13.016,259 13.016,260 13.016,261 10.732,262 4.313,263 7.488,264 13.139,265 10.887,266 10.887,267 10.887,268 10.887,269 10.887,270 7.426,271 2.326,272 3.58,273 11.126,274 3.282,275 1.788,276 0.916,277 0.143,280 3.714,284 1,285 289,286 2,288 19.544,289 81.698,291 77.371,292 44.816,295 1.014,296 21.299,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 41.5,307 128,308 4.862,309 3.396,310 7.082,311 4.356,312 3.371,313 5.026,315 12.275,316 3.323,317 4.247,318 2.813,319 6.139,320 3.746,321 2.76,322 4.102,324 9.002,325 2.721,326 3.869,327 2.606,328 5.856,329 3.397,330 2.432,331 3.467,333 7.844,334 2.339,335 3.556,336 2.319,337 5.3,338 3.089,339 2.128,340 3.012,342 6.403,343 2.039,344 3.323,345 1.901,346 4.878,347 2.839,348 1.855,349 2.693,351 5.427,352 1.82,353 2.993,354 1.538,355 4.47,356 2.48,357 1.506,358 2.232,360 4.183,361 1.464,362 2.846,363 1.352,364 3.95,365 2.346,366 1.348,367 2.019,369 3.109,370 1.345,371 2.477,372 1.137,373 3.6,374 1.997,375 1.026,376 1.467,378 2.653,379 0.992,380 2.037,381 0.625,382 3.375,383 1.523,384 0.561,385 0.821,386 1.437,387 0.537,388 1.342,389 0.118,390 2.832,391 0.888,392 -0.07,393 -0.096,394 -0.176,395 -0.066,396 1.088,397 -0.048,398 2.648,399 0.63,400 -0.322,401 -0.428,402 -0.849,403 -0.302,404 0.73,405 -0.622,406 2.351,407 0.252,408 -0.709,409 -1.001,411 -1.816,412 -0.676,413 0.593,414 -0.803,415 2.223,416 0.1,417 -0.883,418 -1.284,420 -2.284,421 -0.865,422 0.433,423 -0.894,424 2,425 -0.032,426 -1,427 -1.39,429 -2.823,430 -0.96,431 0.264,432 -1.099,433 1.82,434 -0.2,435 -1.165,436 -1.683,438 -3.23,439 -1.127,440 8.9,441 0.468,442 0.521,443 0.027,444 29.5,445 1.553,446 17,447 0.895,448 12.5,449 0.658,450 10.487,451 0.552,452 18.7,453 0.668,454 19.094,455 1.005,456 5.88,457 0.309,458 3.357,459 0.177,460 0.075,462 0.449,466 0.958,467 0.862,468 0.675,469 0.747,470 1.019,471 0.663,472 0.605,473 1.089,474 0.639,475 0.962,476 0.519,477 0.848,478 0.951,479 0.933,480 0.863,481 0.89,482 0.846,483 0.864,484 0.879,485 1.037,486 0.912,487 1.006,488 0.82,489 0.968,490 1.064,491 1.122,492 1.065,493 1.137,494 0.95,495 1.106,496 1.305,497 1.166,498 1.351,499 1.251,500 1.269,501 1.296,502 1.309,503 0.9,504 1.476,505 1.05,506 1.546,507 1.258,508 0.738,509 0.826,510 0.969,511 0.941,512 0.918,513 0.995,514 3.5,516 2.222,517 1.792,518 1.631,519 0.57,520 0.322,521 0.152,522 0.037,523 0.016,524 3028,525 9182,526 2.205,527 32.1,529 7,532 2,536 1.611,537 2.073,538 2.753,539 0.341,541 1,543 1,545 42.718,546 1.526,547 3.02,548 3.891,549 4.664,550 4.807,551 4.807,552 2.215,553 3.787,554 4.222,555 2.806,556 479.767,557 7.229,558 4438.87,560 1,562 1,563 134.606,564 1.378,565 4.186,566 0.159,568 0.067,569 0.053,570 0.054,571 0.024,572 0.019,573 0.022,574 0.012,575 0.016,576 0.426,577 0.67,578 1,579 0.565,580 78.87,581 -0.154,582 0.07,583 -0.018,584 0.13,585 -0.229,586 0.102,587 0.125,588 -0.147,589 0.035,590 -0.089,591 0.079,592 -0.063,593 -0.014,594 0.051,596 0.033,597 -0.034,598 0.018,599 0.033,600 -0.051,601 0.005,602 -0.068,603 0.013,604 -0.04,605 -0.134,606 -0.163,607 -0.141,608 -0.192,609 -0.046,610 -0.171,611 -0.074,612 -0.209,613 -0.316,614 -0.281,615 0.029,616 -0.34,617 -0.133,618 0.047,619 -0.204,620 0.027,621 -0.198,622 -0.084,623 0.083,624 0.154,625 0.48,626 0.206,627 0.123,628 0.397,629 1.899,630 3.95,631 0.895,632 10.244,633 1.022,634 1.1,635 1.911,636 3.651,637 0.729,638 3.135,639 3.526,640 3.892,641 4.277,642 4.605,643 4.754,644 4.905,645 5.088,646 5.069,647 5.004,648 4.023,649 0.724,650 251.25,651 3.135,652 4.71,653 5.609,654 6.538,655 7.462,656 8.399,657 9.331,658 10.27,659 11.206,660 12.146,661 3.6,671 1,674 6,675 7,676 1,678 1,680 2,682 20,696 2,699 28,700 20,701 2,702 22,704 31,705 15,706 15,707 5,708 7,710 4,711 10,721 15,733 1,736 9,737 4,738 2,739 4,743 1,747 0.25,748 3,756 1,759 1,760 3,762 2,763 1,777 1,785 19,788 2,801 10.7,803 2,806 1,808 9.167,809 5.1,810 4,811 1.603,812 4.416,813 1.602,814 1.026,815 2.027,816 11.75,817 3.497,818 4.28,819 5.059,820 5.849,821 6.576,822 7.111,823 7.678,824 8.255,825 8.64,826 8.98,827 0.8,828 34,829 6.994,831 3.166,832 7.912,833 13.075,835 11.241,837 2.412,838 45.833,839 0.001,842 82.398,843 84.402,844 16.786,846 94.874,849 84.402,850 177.272,851 16.786,854 66.334,855 102.152,856 22.74,857 4.836,858 82.398,860 82.398,861 101.188,862 94.874,865 82.398,866 94.874,869 5.513,870 78.889,871 16.786,873 82.398,874 111.66,875 84.402,878 82.398,879 18.069,880 66.334,882 111.66,883 82.398,884 111.66,885 84.402,887 0.596,888 0.36,889 0.215,890 0.131,891 20,892 8,895 3,896 1.353,897 3.084,898 159.099,899 0.353,900 17,901 80.711,904 10.643,905 3.619,906 1.42,907 4.305,908 111.66,909 12.515,910 4.381,912 5.318,914 -0.136,916 85.367,917 278.46,918 32,926 28.618,927 30.787,928 0.317,929 0.628,930 0.809,931 0.97,932 1,933 1,934 4.736,935 1.026,936 5.624,937 3.109,938 4.205,939 4.966,941 6.524,942 4.162,943 6.015,944 0.561,945 7.231,946 2.653,947 3.892,948 5.007,950 7.567,951 3.816,952 7.376,953 -0.07,954 8.939,955 1.437,956 5.872,957 7.431,959 10.752,960 5.798,961 8.78,962 -0.322,963 10.707,964 -0.176,965 6.382,966 8.321,968 12.657,969 6.281,970 10.217,971 -0.709,972 12.515,973 -0.849,974 7.861,975 10.223,977 15.377,978 7.76,979 11.68,980 -0.883,981 14.351,982 -1.816,983 8.755,984 11.512,986 17.642,987 8.634,988 13.164,989 -1,990 16.208,991 -2.284,992 10.046,993 13.215,995 20.212,996 9.921,997 3.371,998 -1.165,999 18.082,1000 -2.823,1001 11.117,1002 14.686,1004 22.623,1005 10.975,1006 2.76,1007 12.275,1008 19.969,1009 -3.23,1010 12.343,1011 16.319,1013 25.147,1014 12.193,1015 2.432,1016 9.002,1017 21.868,1018 5.026,1019 13.49,1020 17.868,1022 27.615,1023 13.326,1024 2.128,1025 7.844,1026 23.775,1027 4.102,1028 14.698,1029 19.48,1031 30.125,1032 14.523,1033 1.855,1034 6.403,1035 25.69,1036 3.467,1037 15.88,1038 21.062,1040 32.616,1041 15.691,1042 1.506,1043 5.427,1044 27.612,1045 3.012,1046 17.085,1047 22.669,1049 35.123,1050 16.884,1051 1.348,1052 4.183,1053 29.539,1054 2.693,1055 18.282,1056 24.267,1058 37.623,1059 18.067,1060 2870,1061 5095,1062 15.027,1063 20.415,1064 34.24,1065 34.044,1066 35.298,1067 34.039,1068 33.974,1069 49.676,1071 104.667,1072 33.161,1073 5.362,1074 5.396,1075 6.762,1076 5.356,1077 5.371,1078 8.026,1080 19.809,1081 5.323,1082 7.14,1083 1.556,1084 1.547,1085 1.604,1086 1.547,1087 1.544,1088 2.258,1090 4.758,1091 1.507,1092 4.235,1093 4.244,1094 4.218,1095 4.161,1096 6.485,1097 4.172,1098 3.856,1099 3.874,1100 3.808,1101 3.778,1102 6.468,1103 3.781,1104 3.484,1105 3.501,1106 3.427,1107 3.353,1108 5.104,1109 3.365,1110 3.107,1111 3.117,1112 3.041,1113 2.909,1114 4.772,1115 2.937,1116 2.968,1117 3.01,1118 2.895,1119 2.815,1120 4.278,1121 2.825,1122 2.795,1123 2.842,1124 2.664,1125 2.633,1126 4.198,1127 2.635,1128 2.745,1129 2.776,1130 2.625,1131 2.562,1132 3.761,1133 2.573,1134 2.24,1135 2.304,1136 2.068,1137 1.926,1138 3.425,1139 1.96,1140 0.221,1141 0.154,1142 0.322,1143 0.198,1144 0.153,1145 4.862,1146 0.228,1147 3.396,1149 7.082,1150 0.558,1151 4.356,1152 0.151,1153 3.371,1154 5.026,1156 12.275,1157 3.323,1158 2.067,1159 2.063,1160 2.117,1161 2.152,1162 1.292,1163 2.136,1164 1.866,1165 1.843,1166 1.962,1167 1.965,1168 1.036,1169 1.966,1170 1.478,1171 1.462,1172 1.55,1173 1.643,1174 0.634,1175 1.613,1176 1.03,1177 1.008,1178 1.199,1179 1.227,1180 0.235,1181 1.212,1182 0.942,1183 0.901,1184 1.138,1185 1.148,1186 0.192,1187 1.138,1188 0.803,1189 0.747,1190 1.068,1191 1,1192 0.123,1193 1.027,1194 0.621,1195 0.604,1196 0.828,1197 0.925,1199 0.889,1200 0.368,1201 0.332,1202 0.665,1203 0.783,1205 0.759,1206 3.807,1208 5.176,1209 2.398,1210 6.758,1211 4.844,1212 8.443,1213 7.081,1214 10.182,1221 19.45,1231 20.273,1232 42.718,1233 84.548,1234 108.954,1235 130.606,1236 134.606,1237 134.606,1238 24.673,1239 7.334,1240 66.49,1241 66.49,1242 23,1243 12.642,1244 4.392,1245 3.459,1246 24.161,1247 46,1248 47,1249 0.276,1250 120.446,1251 191.27,1252 285.648,1253 13483,1255 12.983,1256 0.683,1257 0.515,1258 12.983,1259 9.791,1260 9.237,1261 0.42,1262 0.267,1263 5.795,1264 8.923,1265 5.708,1266 4.682,1267 9.237,1268 5.868,1269 8.74,1270 0.265,1271 0.135,1272 8.74,1273 4.44,1274 7.735,1275 0.161,1276 0.068,1277 7.735,1278 3.286,1279 7.059,1280 0.099,1281 0.035,1282 7.059,1283 2.468,1284 6.292,1285 0.064,1286 0.018,1287 6.292,1288 1.779,1289 0.4,1290 57.803,1291 0.258,1292 18.147,1293 0.864,1294 110,1295 333.68,1296 120.689,1297 323.247,1298 451.86,1299 302,1300 136,1301 348.15,1302 146.582,1303 350.528,1304 523.54,1305 332,1306 6.301} {0 CHEMBL1946917,1 1.578,2 7,3 2.979,4 8.875,5 69.234,6 9.216,7 0.87,8 3.566,9 3.618,10 3.29,11 3.15,12 4.898,13 3.188,14 3.992,15 4.05,16 3.722,17 3.557,18 5.371,19 3.589,20 4.245,21 4.345,22 3.784,23 3.646,24 5.595,25 3.67,26 4.243,27 4.377,28 3.69,29 3.576,30 5.538,31 3.585,32 4.099,33 4.225,34 3.539,35 3.415,36 5.453,37 3.427,38 4.03,39 4.16,40 3.329,41 3.188,42 5.493,43 3.204,44 3.81,45 3.981,46 2.871,47 2.79,48 5.34,49 2.754,50 3.376,51 3.612,52 2.025,53 2.206,54 4.576,55 2.12,56 0.171,57 0.362,58 3.821,59 2.522,60 21.554,61 2.028,62 0.248,63 0.573,64 5.318,65 3.926,66 18.585,67 3.645,68 0.442,69 0.744,70 9.646,71 5.135,72 45.147,73 4.611,74 0.441,75 0.754,76 11.002,77 5.359,78 46.689,79 5.429,80 0.344,81 0.64,82 9.12,83 4.679,84 35.697,85 4.659,86 0.443,87 0.588,88 9.179,89 4.24,90 53.454,91 3.807,92 0.517,93 0.454,94 9.584,95 3.716,96 62.124,97 3.901,98 0.286,99 0.303,100 7.735,101 2.532,102 37.268,103 2.752,104 10,105 35,106 0.293,107 0.586,108 0.733,109 0.863,110 0.888,111 0.901,112 3.061,113 0.783,114 -2.62,115 -2.64,116 -2.57,119 51.7,133 6,134 3,135 2,137 2,143 1,144 1,159 6,162 5,164 1,166 4,168 8,171 1,172 5,174 1,176 4,178 8,182 3,185 1,187 5,190 5,194 4,197 1,199 5,202 4,206 1,210 1,211 4,213 3,220 2,221 1,222 3,224 2,234 1,246 1,247 1,255 422,256 13.464,257 13.464,258 13.464,259 13.464,260 13.464,261 11.154,262 6.47,263 7.627,264 13.627,265 11.37,266 11.37,267 11.37,268 11.37,269 11.37,270 7.839,271 3.488,272 3.663,273 11.688,274 3.28,275 1.699,276 0.906,277 0.207,278 0.069,280 3.758,284 1,285 312,286 2.121,288 20.91,289 88.67,291 83.222,292 49.116,295 0.9,296 28.396,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 44.5,307 140,308 4.867,309 3.403,310 7.085,311 4.362,312 3.376,313 5.031,315 12.292,316 3.328,317 4.269,318 2.857,319 6.153,320 3.773,321 2.788,322 4.126,324 9.059,325 2.745,326 3.913,327 2.671,328 5.868,329 3.444,330 2.482,331 3.524,333 7.913,334 2.381,335 3.579,336 2.396,337 5.31,338 3.123,339 2.162,340 3.035,342 6.446,343 2.072,344 3.499,345 2.295,346 4.958,347 3.043,348 2.092,349 2.892,351 5.806,352 1.98,353 3.269,354 1.848,355 4.876,356 2.78,357 1.802,358 2.616,360 5.4,361 1.757,362 2.894,363 1.421,364 4.442,365 2.389,366 1.401,367 2.088,369 4.057,370 1.383,371 2.495,372 1.192,373 3.936,374 2.017,375 1.053,376 1.493,378 2.826,379 1.01,380 2.113,381 0.716,382 3.465,383 1.603,384 0.644,385 0.936,386 1.664,387 0.615,388 1.371,389 0.238,390 2.838,391 0.926,392 -0.02,393 -0.027,394 -0.05,395 -0.019,396 1.165,397 -0.045,398 2.728,399 0.705,400 -0.255,401 -0.348,402 -0.704,403 -0.243,404 0.89,405 -0.099,406 2.406,407 0.478,408 -0.443,409 -0.555,411 -1.098,412 -0.402,413 0.627,414 -0.745,415 2.341,416 0.128,417 -0.854,418 -1.224,420 -2.547,421 -0.828,422 0.452,423 -0.834,424 2.27,425 -0.025,426 -1,427 -1.345,429 -2.824,430 -0.93,431 0.334,432 -0.896,433 1.922,434 -0.075,435 -1,436 -1.397,438 -2.873,439 -0.963,440 9.233,441 0.462,442 0.627,443 0.031,444 30.75,445 1.538,446 17.5,447 0.875,448 13.25,449 0.663,450 11.411,451 0.571,452 20.167,453 0.695,454 20.964,455 1.048,456 6.12,457 0.306,458 3.511,459 0.176,460 0.108,462 0.487,466 1.015,467 0.837,468 0.7,469 0.714,470 1.064,471 0.629,472 0.623,473 1.106,474 0.589,475 0.973,476 0.525,477 0.827,478 1.013,479 0.962,480 0.936,481 0.921,482 0.931,483 0.909,484 0.858,485 1.031,486 0.901,487 1.002,488 0.814,489 0.968,490 0.945,491 1.128,492 0.955,493 1.14,494 0.863,495 1.079,496 1.243,497 1.176,498 1.279,499 1.248,500 1.185,501 1.26,502 1.06,503 0.967,504 1.319,505 1.113,506 1.267,507 1.265,508 1.475,509 0.807,510 1.479,511 0.919,512 1.672,513 1.12,514 4.5,516 2.444,517 1.854,518 1.822,519 0.73,520 0.481,521 0.195,522 0.082,523 0.016,524 3423,525 11483,526 2.163,527 31,529 6,532 3,536 1.626,537 2,538 2.812,539 1.103,541 1,542 1,543 1,545 45.749,546 1.578,547 3.159,548 3.952,549 4.651,550 4.789,551 4.858,552 2.183,553 4.122,554 4.295,555 2.872,556 545.714,557 7.378,558 5245.75,559 1,560 1,561 1,562 1,563 140.881,564 1.458,565 4.245,566 0.196,568 0.07,569 0.052,570 0.057,571 0.027,572 0.024,573 0.018,574 0.021,575 0.008,576 0.471,577 0.67,578 1,579 0.627,580 84.917,581 -0.203,582 0.123,583 -0.057,584 0.193,585 -0.263,586 0.142,587 0.078,588 -0.138,589 0.049,590 -0.076,591 0.072,592 -0.04,593 -0.1,594 0.028,595 -0.11,596 0.005,597 -0.113,598 -0.044,599 -0.006,600 -0.044,601 0.026,602 -0.05,603 -0.029,604 -0.008,605 -0.056,606 -0.167,607 -0.034,608 -0.187,609 -0.002,610 -0.13,611 -0.119,612 -0.207,613 -0.264,614 -0.293,615 -0.045,616 -0.313,617 0.186,618 -0.044,619 -0.085,620 -0.085,621 0.13,622 -0.162,623 -0.273,624 0.136,625 -0.05,626 0.161,627 -0.309,628 0.146,629 1.978,630 3.957,631 0.85,632 11.51,633 1.033,634 1.103,635 1.391,636 1.935,637 0.72,638 3.178,639 3.584,640 3.932,641 4.317,642 4.663,643 4.828,644 4.99,645 5.182,646 5.193,647 5.124,648 4.2,649 0.724,650 267.25,651 3.178,652 4.762,653 5.659,654 6.592,655 7.515,656 8.453,657 9.386,658 10.327,659 11.264,660 12.207,661 3.4,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 3,699 29,700 20,701 2,702 23,704 32,705 15,706 15,707 6,708 6,710 4,711 10,721 15,733 1,736 9,737 5,738 3,739 5,743 1,747 0.25,748 4,756 1,759 1,760 3,762 2,763 1,777 1,785 20,788 3,801 13.8,803 3,806 1,808 10,809 5.217,810 4.167,811 1.597,812 4.415,813 1.592,814 0.985,815 2.218,816 11.866,817 3.526,818 4.321,819 5.087,820 5.878,821 6.617,822 7.165,823 7.737,824 8.321,825 8.725,826 9.068,827 0.8,828 36,829 7.368,831 3.375,832 8.075,833 13.551,835 11.653,837 2.575,838 51.5,842 70.627,843 74.926,844 16.786,846 137.557,849 74.926,850 208.184,851 16.786,854 56.857,855 144.836,856 22.74,857 4.836,858 70.627,860 70.627,861 91.712,862 137.557,865 70.627,866 137.557,869 5.513,870 69.413,871 16.786,873 70.627,874 154.343,875 74.926,878 70.627,879 18.069,880 56.857,882 154.343,883 70.627,884 154.343,885 74.926,887 0.603,888 0.357,889 0.208,890 0.131,891 21,892 9,895 3,896 1.353,897 3.137,898 170.847,899 0.353,900 17,901 84.439,904 11.522,905 3.85,906 1.593,907 3.473,908 154.343,909 9.469,910 4.311,912 5.286,914 -0.139,916 128.05,917 299.896,918 33,926 29.945,927 31.997,928 0.325,929 0.65,930 0.814,931 0.957,932 0.986,933 1,934 4.779,935 1.053,936 5.687,937 4.057,938 4.263,939 5.007,941 6.586,942 4.211,943 6.067,944 0.644,945 7.296,946 2.826,947 4.007,948 5.094,950 7.621,951 3.916,952 7.434,953 -0.02,954 9.003,955 1.664,956 5.938,957 7.473,959 10.795,960 5.851,961 8.84,962 -0.255,963 10.766,964 -0.05,965 6.463,966 8.373,968 12.682,969 6.347,970 10.276,971 -0.443,972 12.567,973 -0.704,974 7.918,975 10.257,977 15.403,978 7.805,979 11.736,980 -0.854,981 14.396,982 -1.098,983 8.813,984 11.545,986 17.66,987 8.68,988 13.217,989 -1,990 16.246,991 -2.547,992 10.094,993 13.242,995 20.231,996 9.958,997 3.376,998 -1,999 18.114,1000 -2.824,1001 11.161,1002 14.711,1004 22.64,1005 11.011,1006 2.788,1007 12.292,1008 19.997,1009 -2.873,1010 12.383,1011 16.342,1013 25.164,1014 12.225,1015 2.482,1016 9.059,1017 21.891,1018 5.031,1019 13.529,1020 17.89,1022 27.633,1023 13.357,1024 2.162,1025 7.913,1026 23.795,1027 4.126,1028 14.734,1029 19.501,1031 30.143,1032 14.552,1033 2.092,1034 6.446,1035 25.708,1036 3.524,1037 15.915,1038 21.083,1040 32.635,1041 15.719,1042 1.802,1043 5.806,1044 27.628,1045 3.035,1046 17.119,1047 22.69,1049 35.143,1050 16.912,1051 1.401,1052 5.4,1053 29.554,1054 2.892,1055 18.316,1056 24.288,1058 37.645,1059 18.095,1060 3272,1061 6080,1062 15.433,1063 20.869,1064 35.969,1065 35.834,1066 37.405,1067 35.696,1068 35.601,1069 51.478,1071 110.929,1072 34.541,1073 5.367,1074 5.403,1075 6.386,1076 5.362,1077 5.376,1078 8.031,1080 19.825,1081 5.328,1082 9.151,1083 1.564,1084 1.558,1085 1.626,1086 1.552,1087 1.548,1088 2.238,1090 4.823,1091 1.502,1092 4.236,1093 4.244,1094 4.221,1095 4.16,1096 6.486,1097 4.173,1098 3.86,1099 3.874,1100 3.817,1101 3.776,1102 6.47,1103 3.783,1104 3.494,1105 3.505,1106 3.446,1107 3.353,1108 6.467,1109 3.371,1110 3.124,1111 3.125,1112 3.073,1113 2.909,1114 5.086,1115 2.94,1116 2.994,1117 3.027,1118 2.923,1119 2.82,1120 4.728,1121 2.841,1122 2.796,1123 2.842,1124 2.679,1125 2.634,1126 4.242,1127 2.635,1128 2.762,1129 2.788,1130 2.641,1131 2.567,1132 4.058,1133 2.584,1134 2.352,1135 2.405,1136 2.178,1137 1.939,1138 3.734,1139 1.986,1140 0.212,1141 0.148,1142 0.308,1143 0.19,1144 0.147,1145 4.867,1146 0.219,1147 3.403,1149 7.085,1150 0.534,1151 4.362,1152 0.145,1153 3.376,1154 5.031,1156 12.292,1157 3.328,1158 2.065,1159 2.062,1160 2.111,1161 2.152,1162 1.291,1163 2.135,1164 1.858,1165 1.841,1166 1.939,1167 1.966,1168 1.026,1169 1.957,1170 1.478,1171 1.462,1172 1.55,1173 1.643,1174 0.633,1175 1.613,1176 1.028,1177 1.011,1178 1.197,1179 1.232,1180 0.222,1181 1.213,1182 0.939,1183 0.912,1184 1.091,1185 1.201,1186 0.124,1187 1.158,1188 0.803,1189 0.748,1190 1.064,1191 1,1192 0.106,1193 1.027,1194 0.623,1195 0.612,1196 0.826,1197 0.949,1199 0.901,1200 0.371,1201 0.336,1202 0.667,1203 0.813,1205 0.775,1206 3.85,1208 5.231,1209 2.398,1210 6.815,1211 4.844,1212 8.498,1213 7.081,1214 10.238,1221 29.101,1231 20.988,1232 45.749,1233 91.597,1234 114.617,1235 134.881,1236 138.881,1237 140.881,1238 30.787,1239 7.451,1240 86.72,1241 86.72,1242 23,1243 12.702,1244 4.392,1245 3.459,1246 25.926,1247 50,1248 52,1249 0.269,1250 124.442,1251 200.06,1252 295.399,1253 15447,1255 13.853,1256 0.693,1257 0.508,1258 13.853,1259 10.161,1260 9.631,1261 0.419,1262 0.261,1263 5.914,1264 9.246,1265 5.834,1266 4.771,1267 9.631,1268 6.002,1269 9.374,1270 0.268,1271 0.132,1272 9.374,1273 4.625,1274 8.077,1275 0.162,1276 0.067,1277 8.077,1278 3.362,1279 7.275,1280 0.098,1281 0.034,1282 7.275,1283 2.508,1284 6.604,1285 0.063,1286 0.017,1287 6.604,1288 1.821,1289 0.392,1290 60.743,1291 0.255,1292 19.019,1293 0.837,1294 116,1295 373.83,1296 128.793,1297 359.658,1298 495.55,1299 334,1300 143,1301 377.181,1302 155.243,1303 378.84,1304 563.93,1305 358,1306 6.523} {0 CHEMBL1946918,1 1.578,2 7.4,3 2.979,4 8.875,5 69.234,6 9.216,7 0.87,8 3.566,9 3.618,10 3.29,11 3.15,12 4.898,13 3.188,14 3.992,15 4.05,16 3.722,17 3.557,18 5.371,19 3.589,20 4.245,21 4.345,22 3.784,23 3.646,24 5.594,25 3.67,26 4.244,27 4.377,28 3.695,29 3.575,30 5.567,31 3.582,32 4.094,33 4.23,34 3.496,35 3.409,36 5.396,37 3.414,38 4.004,39 4.136,40 3.279,41 3.175,42 5.44,43 3.177,44 3.781,45 3.958,46 2.861,47 2.764,48 5.296,49 2.73,50 3.346,51 3.571,52 2.164,53 2.195,54 4.637,55 2.151,56 0.171,57 0.362,58 3.821,59 2.522,60 21.554,61 2.028,62 0.248,63 0.573,64 5.318,65 3.926,66 18.585,67 3.645,68 0.442,69 0.744,70 9.646,71 5.135,72 45.311,73 4.611,74 0.46,75 0.755,76 10.982,77 5.372,78 47.782,79 5.538,80 0.326,81 0.649,82 9.281,83 4.623,84 33.621,85 4.563,86 0.425,87 0.568,88 8.934,89 4.228,90 51.967,91 3.916,92 0.496,93 0.443,94 9.506,95 3.646,96 59.457,97 3.981,98 0.266,99 0.292,100 7.322,101 2.422,102 32.239,103 2.623,104 10,105 35,106 0.293,107 0.586,108 0.72,109 0.837,110 0.875,111 0.901,112 3.061,113 0.783,114 -2.62,115 -2.64,116 -2.57,119 51.7,133 6,134 3,135 2,137 2,143 1,144 1,159 6,162 5,164 1,166 4,168 9,171 1,172 4,174 1,176 3,178 8,182 4,185 2,187 5,190 5,194 4,199 5,202 4,206 1,210 1,211 4,213 4,220 2,221 1,222 2,234 4,255 416,256 13.464,257 13.464,258 13.464,259 13.464,260 13.464,261 11.154,262 6.47,263 7.624,264 13.627,265 11.37,266 11.37,267 11.37,268 11.37,269 11.37,270 7.839,271 3.488,272 3.659,273 11.687,274 3.28,275 1.699,276 0.975,277 0.345,278 0.138,280 3.758,284 1,285 330,286 2.121,288 20.934,289 89.178,291 83.316,292 49.519,295 1.08,296 28.087,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 44.5,307 148,308 4.866,309 3.402,310 7.083,311 4.36,312 3.375,313 5.03,315 12.283,316 3.327,317 4.272,318 2.861,319 6.154,320 3.776,321 2.792,322 4.129,324 9.065,325 2.746,326 3.911,327 2.668,328 5.865,329 3.442,330 2.479,331 3.521,333 7.896,334 2.38,335 3.63,336 2.431,337 5.356,338 3.173,339 2.211,340 3.104,342 6.643,343 2.12,344 3.462,345 2.27,346 4.945,347 3.011,348 2.058,349 2.84,351 5.716,352 1.952,353 3.19,354 1.776,355 4.817,356 2.7,357 1.722,358 2.505,360 5.169,361 1.679,362 2.967,363 1.513,364 4.466,365 2.458,366 1.48,367 2.193,369 4.222,370 1.445,371 2.512,372 1.184,373 3.938,374 2.037,375 1.065,376 1.518,378 2.835,379 1.03,380 2.088,381 0.706,382 3.474,383 1.58,384 0.621,385 0.9,386 1.637,387 0.593,388 1.38,389 0.214,390 2.839,391 0.935,392 -0.019,393 -0.025,394 -0.046,395 -0.018,396 1.089,397 -0.047,398 2.715,399 0.633,400 -0.32,401 -0.424,402 -0.849,403 -0.3,404 0.938,405 -0.112,406 2.419,407 0.507,408 -0.421,409 -0.539,411 -1.072,412 -0.384,413 0.706,414 -0.624,415 2.343,416 0.239,417 -0.718,418 -1.007,420 -2.102,421 -0.682,422 0.433,423 -0.845,424 2.265,425 -0.032,426 -1,427 -1.378,429 -2.826,430 -0.958,431 0.267,432 -1.015,433 1.922,434 -0.192,435 -1.156,436 -1.597,438 -3.18,439 -1.11,440 9.233,441 0.462,442 0.627,443 0.031,444 30.75,445 1.538,446 17.5,447 0.875,448 13.25,449 0.663,450 11.383,451 0.569,452 20.167,453 0.695,454 20.919,455 1.046,456 6.12,457 0.306,458 3.511,459 0.176,460 0.108,462 0.487,466 1.015,467 0.837,468 0.7,469 0.714,470 1.064,471 0.629,472 0.623,473 1.106,474 0.589,475 0.973,476 0.525,477 0.827,478 1.013,479 0.962,480 0.936,481 0.921,482 0.934,483 0.909,484 0.8,485 1.03,486 0.888,487 1.007,488 0.764,489 0.984,490 0.98,491 1.102,492 1.013,493 1.111,494 0.857,495 1.075,496 1.174,497 1.193,498 1.286,499 1.276,500 1.123,501 1.305,502 0.97,503 0.947,504 1.222,505 1.086,506 1.173,507 1.212,508 1.479,509 0.839,510 1.345,511 0.935,512 1.578,513 1.046,514 4.5,516 2.444,517 1.979,518 1.822,519 0.73,520 0.469,521 0.255,522 0.049,523 0.051,524 3457,525 11633,526 2.163,527 31,529 6,532 3,536 1.625,537 2,538 2.857,539 1.103,541 1,542 1,543 1,545 45.749,546 1.578,547 3.159,548 3.883,549 4.513,550 4.72,551 4.858,552 2.339,553 4.222,554 4.294,555 2.916,556 554.003,557 7.371,558 5292.11,559 1,560 1,561 1,562 1,563 140.881,564 1.458,565 4.245,566 0.196,568 0.07,569 0.055,570 0.057,571 0.028,572 0.025,573 0.023,574 0.01,575 0.026,576 0.489,577 0.67,578 1,579 0.627,580 85.093,581 -0.203,582 0.123,583 -0.057,584 0.193,585 -0.263,586 0.142,587 0.078,588 -0.138,589 0.049,590 -0.076,591 0.072,592 -0.04,593 -0.1,594 0.028,595 -0.11,596 0.005,597 -0.116,598 -0.044,599 0.055,600 -0.043,601 0.04,602 -0.055,603 0.022,604 -0.024,605 -0.128,606 -0.121,607 -0.083,608 -0.16,609 -0.053,610 -0.113,611 -0.09,612 -0.244,613 -0.271,614 -0.311,615 -0.034,616 -0.339,617 0.242,618 -0.023,619 0.027,620 -0.052,621 0.172,622 -0.086,623 -0.249,624 0.104,625 0.065,626 0.137,627 -0.174,628 0.196,629 1.978,630 3.957,631 0.85,632 11.88,633 1.033,634 1.103,635 1.391,636 1.935,637 0.72,638 3.178,639 3.584,640 3.932,641 4.317,642 4.654,643 4.828,644 4.997,645 5.187,646 5.176,647 5.159,648 4.264,649 0.724,650 267.25,651 3.178,652 4.762,653 5.659,654 6.592,655 7.514,656 8.453,657 9.384,658 10.326,659 11.262,660 12.204,661 3.4,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 3,699 29,700 20,701 2,702 23,704 32,705 15,706 15,707 6,708 6,710 4,711 10,721 15,733 1,736 9,737 5,738 3,739 5,743 1,747 0.25,748 4,756 1,759 1,760 3,762 2,763 1,777 1,785 20,788 3,801 13.8,803 3,806 1,808 10,809 5.217,810 4.167,811 1.597,812 4.416,813 1.593,814 0.985,815 2.218,816 11.867,817 3.526,818 4.321,819 5.087,820 5.878,821 6.61,822 7.165,823 7.742,824 8.325,825 8.717,826 9.085,827 1,828 36,829 7.365,831 3.371,832 8.075,833 13.551,835 11.653,837 2.575,838 51.5,842 70.627,843 74.926,844 16.786,846 137.557,849 74.926,850 208.184,851 16.786,854 56.857,855 144.836,856 22.74,857 4.836,858 70.627,860 70.627,861 91.712,862 137.557,865 70.627,866 137.557,869 5.513,870 69.413,871 16.786,873 70.627,874 154.343,875 74.926,878 70.627,879 18.069,880 56.857,882 154.343,883 70.627,884 154.343,885 74.926,887 0.603,888 0.357,889 0.208,890 0.129,891 21,892 9,895 3,896 1.353,897 3.144,898 170.495,899 0.353,900 17,901 86.439,904 11.522,905 3.85,906 1.593,907 3.564,908 154.343,909 9.537,910 4.282,912 5.286,914 -0.145,916 128.05,917 299.896,918 33,926 29.945,927 31.997,928 0.325,929 0.65,930 0.799,931 0.929,932 0.972,933 1,934 4.779,935 1.065,936 5.687,937 4.222,938 4.263,939 5.007,941 6.586,942 4.211,943 6.067,944 0.621,945 7.296,946 2.835,947 4.007,948 5.094,950 7.621,951 3.916,952 7.434,953 -0.019,954 9.003,955 1.637,956 5.938,957 7.473,959 10.795,960 5.851,961 8.84,962 -0.32,963 10.766,964 -0.046,965 6.463,966 8.373,968 12.681,969 6.347,970 10.276,971 -0.421,972 12.567,973 -0.849,974 7.918,975 10.257,977 15.4,978 7.805,979 11.736,980 -0.718,981 14.396,982 -1.072,983 8.813,984 11.545,986 17.656,987 8.68,988 13.217,989 -1,990 16.246,991 -2.102,992 10.093,993 13.242,995 20.227,996 9.957,997 3.375,998 -1.156,999 18.114,1000 -2.826,1001 11.161,1002 14.71,1004 22.634,1005 11.009,1006 2.792,1007 12.283,1008 19.996,1009 -3.18,1010 12.381,1011 16.341,1013 25.157,1014 12.223,1015 2.479,1016 9.065,1017 21.89,1018 5.03,1019 13.527,1020 17.888,1022 27.625,1023 13.354,1024 2.211,1025 7.896,1026 23.794,1027 4.129,1028 14.732,1029 19.499,1031 30.135,1032 14.549,1033 2.058,1034 6.643,1035 25.707,1036 3.521,1037 15.912,1038 21.081,1040 32.626,1041 15.715,1042 1.722,1043 5.716,1044 27.626,1045 3.104,1046 17.115,1047 22.687,1049 35.133,1050 16.907,1051 1.48,1052 5.169,1053 29.552,1054 2.84,1055 18.312,1056 24.285,1058 37.634,1059 18.09,1060 3303,1061 6147,1062 15.433,1063 20.869,1064 35.971,1065 35.805,1066 37.413,1067 35.699,1068 35.604,1069 51.48,1071 110.934,1072 34.543,1073 5.366,1074 5.402,1075 6.371,1076 5.36,1077 5.375,1078 8.03,1080 19.817,1081 5.327,1082 9.21,1083 1.564,1084 1.557,1085 1.627,1086 1.552,1087 1.548,1088 2.238,1090 4.823,1091 1.502,1092 4.236,1093 4.244,1094 4.22,1095 4.16,1096 6.486,1097 4.173,1098 3.86,1099 3.874,1100 3.818,1101 3.776,1102 6.47,1103 3.783,1104 3.494,1105 3.504,1106 3.446,1107 3.353,1108 6.468,1109 3.371,1110 3.13,1111 3.128,1112 3.08,1113 2.911,1114 5.086,1115 2.945,1116 2.968,1117 3.011,1118 2.896,1119 2.815,1120 4.721,1121 2.825,1122 2.835,1123 2.87,1124 2.712,1125 2.641,1126 4.249,1127 2.655,1128 2.745,1129 2.776,1130 2.631,1131 2.562,1132 4.093,1133 2.573,1134 2.373,1135 2.415,1136 2.207,1137 1.962,1138 3.687,1139 2.018,1140 0.212,1141 0.148,1142 0.308,1143 0.19,1144 0.147,1145 4.866,1146 0.219,1147 3.402,1149 7.083,1150 0.534,1151 4.36,1152 0.145,1153 3.375,1154 5.03,1156 12.283,1157 3.327,1158 2.066,1159 2.062,1160 2.113,1161 2.152,1162 1.291,1163 2.135,1164 1.858,1165 1.84,1166 1.938,1167 1.966,1168 1.026,1169 1.957,1170 1.478,1171 1.462,1172 1.548,1173 1.643,1174 0.628,1175 1.613,1176 1.026,1177 1.014,1178 1.187,1179 1.248,1180 0.218,1181 1.217,1182 0.942,1183 0.902,1184 1.136,1185 1.163,1186 0.192,1187 1.141,1188 0.804,1189 0.758,1190 1.033,1191 1.046,1192 0.045,1193 1.047,1194 0.622,1195 0.608,1196 0.827,1197 0.942,1199 0.901,1200 0.375,1201 0.345,1202 0.671,1203 0.801,1205 0.772,1206 3.85,1208 5.231,1209 2.398,1210 6.815,1211 4.844,1212 8.498,1213 7.081,1214 10.237,1221 28.976,1231 20.988,1232 45.749,1233 91.597,1234 112.617,1235 130.881,1236 136.881,1237 140.881,1238 30.501,1239 7.451,1240 86.72,1241 86.72,1242 23,1243 12.699,1244 4.392,1245 3.459,1246 25.963,1247 51,1248 53,1249 0.266,1250 124.442,1251 200.06,1252 295.399,1253 15447,1255 13.853,1256 0.693,1257 0.508,1258 13.853,1259 10.161,1260 9.631,1261 0.419,1262 0.261,1263 5.914,1264 9.246,1265 5.834,1266 4.771,1267 9.631,1268 6.002,1269 9.374,1270 0.268,1271 0.132,1272 9.374,1273 4.625,1274 8.07,1275 0.161,1276 0.067,1277 8.07,1278 3.363,1279 7.323,1280 0.099,1281 0.034,1282 7.323,1283 2.51,1284 6.516,1285 0.063,1286 0.017,1287 6.516,1288 1.811,1289 0.389,1290 60.743,1291 0.255,1292 19.071,1293 0.822,1294 116,1295 373.83,1296 128.793,1297 359.658,1298 495.55,1299 334,1300 143,1301 377.181,1302 155.243,1303 378.841,1304 563.94,1305 358,1306 5.495} {0 CHEMBL1947105,1 1.526,2 6.316,3 3.247,4 10.54,5 67.54,6 8.973,7 0.909,8 3.518,9 3.578,10 3.238,11 3.139,12 4.799,13 3.161,14 3.96,15 4.029,16 3.658,17 3.542,18 5.275,19 3.557,20 4.195,21 4.313,22 3.716,23 3.621,24 5.476,25 3.627,26 4.17,27 4.308,28 3.607,29 3.542,30 5.387,31 3.541,32 4.035,33 4.163,34 3.464,35 3.386,36 5.372,37 3.379,38 3.984,39 4.12,40 3.221,41 3.148,42 5.357,43 3.144,44 3.714,45 3.937,46 2.465,47 2.729,48 4.997,49 2.603,50 3.136,51 3.405,52 1.523,53 2.026,54 4.185,55 1.844,56 0.102,57 0.339,58 3.776,59 2.38,60 12.48,61 2.146,62 0.185,63 0.544,64 5.743,65 3.759,66 13.112,67 3.762,68 0.32,69 0.713,70 10.025,71 4.975,72 30.086,73 5.019,74 0.253,75 0.705,76 10.35,77 4.965,78 27.035,79 5.085,80 0.265,81 0.601,82 8.584,83 4.363,84 24.077,85 4.574,86 0.336,87 0.56,88 9.44,89 4.17,90 34.713,91 3.779,92 0.33,93 0.45,94 9.485,95 3.617,96 42.085,97 4.136,98 0.166,99 0.247,100 6.35,101 2.23,102 22.691,103 2.725,104 5,105 33,106 0.285,107 0.564,108 0.74,109 0.884,110 0.897,111 0.897,112 3.014,113 0.8,114 -3.14,115 -3.14,116 -3.01,119 53.6,133 7,134 3,135 1,137 2,143 1,144 1,159 8,162 5,164 1,166 2,168 9,171 1,172 6,174 1,176 3,178 9,182 3,187 4,190 6,194 3,197 1,199 5,202 5,206 3,209 1,211 3,213 4,221 1,222 2,224 3,234 1,237 1,255 361,256 13.016,257 13.016,258 13.016,259 13.016,260 13.016,261 10.732,262 4.313,263 7.49,264 13.139,265 10.887,266 10.887,267 10.887,268 10.887,269 10.887,270 7.426,271 2.326,272 3.584,273 11.126,274 3.282,275 1.788,276 0.845,277 0.071,280 3.714,284 1,285 269,286 2,288 19.275,289 81.424,291 76.79,292 44.754,295 0.892,296 21.605,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 41.5,307 120,308 4.864,309 3.398,310 7.083,311 4.358,312 3.372,313 5.027,315 12.285,316 3.325,317 4.241,318 2.799,319 6.138,320 3.739,321 2.752,322 4.096,324 8.991,325 2.714,326 3.877,327 2.623,328 5.859,329 3.408,330 2.444,331 3.475,333 7.861,334 2.348,335 3.477,336 2.287,337 5.244,338 3.023,339 2.069,340 2.898,342 6.117,343 1.965,344 3.43,345 1.959,346 4.958,347 2.932,348 1.941,349 2.853,351 5.794,352 1.922,353 2.984,354 1.54,355 4.445,356 2.474,357 1.501,358 2.217,360 4.093,361 1.458,362 2.815,363 1.317,364 3.955,365 2.314,366 1.315,367 1.972,369 3.086,370 1.313,371 2.484,372 1.118,373 3.601,374 1.999,375 1.027,376 1.477,378 2.67,379 0.994,380 2,381 0.555,382 3.356,383 1.479,384 0.511,385 0.758,386 1.326,387 0.494,388 1.473,389 0.355,390 2.855,391 1.044,392 0.099,393 0.131,394 0.24,395 0.093,396 0.962,397 -0.266,398 2.631,399 0.449,400 -0.535,401 -0.772,402 -1.501,403 -0.522,404 0.703,405 -0.541,406 2.353,407 0.263,408 -0.658,409 -0.837,411 -1.652,412 -0.596,413 0.609,414 -0.768,415 2.223,416 0.166,417 -0.815,418 -1.192,420 -2.066,421 -0.801,422 0.5,423 -1,424 2,425 -0.01,426 -1,427 -1.5,429 -2.917,430 -0.989,431 0.241,432 -1.023,433 1.82,434 -0.233,435 -1.202,436 -1.636,438 -3.207,439 -1.151,440 8.9,441 0.468,442 0.521,443 0.027,444 29.5,445 1.553,446 17,447 0.895,448 12.5,449 0.658,450 10.507,451 0.553,452 18.7,453 0.668,454 19.133,455 1.007,456 5.88,457 0.309,458 3.357,459 0.177,460 0.075,462 0.449,466 0.958,467 0.862,468 0.675,469 0.747,470 1.019,471 0.663,472 0.605,473 1.089,474 0.639,475 0.962,476 0.519,477 0.848,478 0.951,479 0.933,480 0.863,481 0.89,482 0.84,483 0.864,484 1.032,485 1.038,486 0.942,487 0.999,488 0.915,489 0.95,490 0.859,491 1.156,492 0.97,493 1.176,494 0.907,495 1.118,496 1.567,497 1.143,498 1.379,499 1.213,500 1.57,501 1.243,502 1.059,503 0.93,504 1.44,505 1.089,506 1.088,507 1.297,508 1.235,509 0.812,510 1.393,511 0.952,512 1.694,513 1.162,514 3.5,516 2.222,517 1.667,518 1.631,519 0.545,520 0.394,521 0.071,522 0.02,524 2996,525 9074,526 2.205,527 32.1,529 7,532 2,536 1.612,537 2.073,538 2.709,539 0.341,541 1,543 1,545 42.718,546 1.526,547 3.02,548 3.963,549 4.736,550 4.807,551 4.807,552 2.102,553 3.827,554 4.224,555 2.754,556 470.893,557 7.237,558 4400.1,560 1,562 1,563 134.606,564 1.378,565 4.186,566 0.159,568 0.067,569 0.049,570 0.054,571 0.022,572 0.022,573 0.01,574 0.01,576 0.394,577 0.67,578 1,579 0.565,580 78.697,581 -0.154,582 0.07,583 -0.018,584 0.13,585 -0.229,586 0.102,587 0.125,588 -0.147,589 0.035,590 -0.089,591 0.079,592 -0.063,593 -0.014,594 0.051,596 0.033,597 -0.028,598 0.018,599 -0.126,600 -0.051,601 -0.026,602 -0.06,603 -0.086,604 -0.021,605 0.075,606 -0.199,607 -0.059,608 -0.238,609 0.077,610 -0.194,611 -0.225,612 -0.184,613 -0.335,614 -0.245,615 -0.191,616 -0.306,617 0.028,618 0.041,619 -0.181,620 -0.023,621 0.128,622 -0.121,623 -0.151,624 0.122,625 0.048,626 0.2,627 -0.252,628 0.18,629 1.871,630 3.948,631 0.895,632 10,633 1.022,634 1.1,635 1.911,636 3.651,637 0.729,638 3.135,639 3.526,640 3.892,641 4.277,642 4.615,643 4.754,644 4.913,645 5.069,646 5.063,647 5.011,648 3.962,649 0.724,650 251.25,651 3.135,652 4.71,653 5.609,654 6.538,655 7.463,656 8.4,657 9.334,658 10.272,659 11.21,660 12.149,661 3.6,671 1,674 6,675 7,676 1,678 1,680 2,682 20,696 2,699 28,700 20,701 2,702 22,704 31,705 15,706 15,707 5,708 7,710 4,711 10,721 15,733 1,736 9,737 4,738 2,739 4,743 1,747 0.25,748 3,756 1,759 1,760 3,762 2,763 1,777 1,785 19,788 2,801 10.7,803 2,806 1,808 9.167,809 5.1,810 4,811 1.603,812 4.415,813 1.602,814 1.026,815 2.027,816 11.749,817 3.497,818 4.28,819 5.059,820 5.849,821 6.583,822 7.113,823 7.678,824 8.246,825 8.634,826 8.983,827 1,828 34,829 6.996,831 3.169,832 7.912,833 13.075,835 11.241,837 2.412,838 45.833,839 0.001,842 82.398,843 84.402,844 16.786,846 94.874,849 84.402,850 177.272,851 16.786,854 66.334,855 102.152,856 22.74,857 4.836,858 82.398,860 82.398,861 101.188,862 94.874,865 82.398,866 94.874,869 5.513,870 78.889,871 16.786,873 82.398,874 111.66,875 84.402,878 82.398,879 18.069,880 66.334,882 111.66,883 82.398,884 111.66,885 84.402,887 0.596,888 0.36,889 0.215,890 0.133,891 20,892 8,895 3,896 1.353,897 3.077,898 159.439,899 0.353,900 17,901 80.711,904 10.643,905 3.619,906 1.42,907 4.185,908 111.66,909 12.397,910 4.369,912 5.341,914 -0.052,916 85.367,917 278.46,918 32,926 28.618,927 30.787,928 0.317,929 0.628,930 0.824,931 0.985,932 1,933 1,934 4.736,935 1.027,936 5.624,937 3.086,938 4.205,939 4.966,941 6.524,942 4.162,943 6.015,944 0.511,945 7.231,946 2.67,947 3.892,948 5.007,950 7.567,951 3.816,952 7.376,953 0.099,954 8.939,955 1.326,956 5.872,957 7.431,959 10.753,960 5.798,961 8.78,962 -0.535,963 10.707,964 0.24,965 6.382,966 8.321,968 12.658,969 6.281,970 10.217,971 -0.658,972 12.515,973 -1.501,974 7.861,975 10.223,977 15.38,978 7.76,979 11.68,980 -0.815,981 14.351,982 -1.652,983 8.755,984 11.512,986 17.646,987 8.634,988 13.164,989 -1,990 16.208,991 -2.066,992 10.047,993 13.216,995 20.217,996 9.921,997 3.372,998 -1.202,999 18.082,1000 -2.917,1001 11.117,1002 14.686,1004 22.629,1005 10.976,1006 2.752,1007 12.285,1008 19.97,1009 -3.207,1010 12.344,1011 16.32,1013 25.153,1014 12.194,1015 2.444,1016 8.991,1017 21.869,1018 5.027,1019 13.492,1020 17.869,1022 27.623,1023 13.328,1024 2.069,1025 7.861,1026 23.777,1027 4.096,1028 14.701,1029 19.481,1031 30.134,1032 14.526,1033 1.941,1034 6.117,1035 25.692,1036 3.475,1037 15.883,1038 21.065,1040 32.626,1041 15.694,1042 1.501,1043 5.794,1044 27.614,1045 2.898,1046 17.089,1047 22.672,1049 35.133,1050 16.887,1051 1.315,1052 4.093,1053 29.541,1054 2.853,1055 18.287,1056 24.271,1058 37.635,1059 18.071,1060 2842,1061 5041,1062 15.027,1063 20.415,1064 34.202,1065 34.339,1066 35.28,1067 34.085,1068 34.064,1069 49.806,1071 104.925,1072 33.249,1073 5.364,1074 5.398,1075 6.764,1076 5.358,1077 5.372,1078 8.027,1080 19.811,1081 5.325,1082 7.089,1083 1.555,1084 1.561,1085 1.604,1086 1.549,1087 1.548,1088 2.264,1090 4.769,1091 1.511,1092 4.235,1093 4.244,1094 4.219,1095 4.161,1096 6.484,1097 4.172,1098 3.855,1099 3.874,1100 3.807,1101 3.778,1102 6.469,1103 3.781,1104 3.485,1105 3.501,1106 3.429,1107 3.353,1108 5.105,1109 3.365,1110 3.115,1111 3.123,1112 3.052,1113 2.91,1114 4.781,1115 2.941,1116 2.955,1117 3.004,1118 2.875,1119 2.816,1120 4.276,1121 2.824,1122 2.808,1123 2.834,1124 2.7,1125 2.625,1126 4.133,1127 2.617,1128 2.729,1129 2.782,1130 2.589,1131 2.569,1132 3.819,1133 2.589,1134 2.235,1135 2.29,1136 2.059,1137 1.916,1138 3.536,1139 1.948,1140 0.221,1141 0.154,1142 0.322,1143 0.198,1144 0.153,1145 4.864,1146 0.229,1147 3.398,1149 7.083,1150 0.558,1151 4.358,1152 0.151,1153 3.372,1154 5.027,1156 12.285,1157 3.325,1158 2.067,1159 2.063,1160 2.116,1161 2.152,1162 1.292,1163 2.136,1164 1.866,1165 1.843,1166 1.963,1167 1.965,1168 1.036,1169 1.966,1170 1.479,1171 1.463,1172 1.554,1173 1.643,1174 0.641,1175 1.613,1176 1.031,1177 1.007,1178 1.198,1179 1.227,1180 0.236,1181 1.211,1182 0.94,1183 0.906,1184 1.135,1185 1.147,1186 0.164,1187 1.14,1188 0.803,1189 0.75,1190 1.059,1191 1.033,1192 0.122,1193 1.036,1194 0.617,1195 0.592,1196 0.83,1197 0.891,1199 0.878,1200 0.364,1201 0.327,1202 0.649,1203 0.708,1205 0.708,1206 3.807,1208 5.176,1209 2.398,1210 6.758,1211 4.844,1212 8.443,1213 7.081,1214 10.183,1221 19.592,1231 20.273,1232 42.718,1233 84.548,1234 110.954,1235 132.606,1236 134.606,1237 134.606,1238 24.884,1239 7.334,1240 66.49,1241 66.49,1242 23,1243 12.645,1244 4.392,1245 3.459,1246 24.12,1247 45,1248 42,1249 0.279,1250 120.446,1251 191.27,1252 285.648,1253 13483,1255 12.983,1256 0.683,1257 0.515,1258 12.983,1259 9.791,1260 9.237,1261 0.42,1262 0.267,1263 5.795,1264 8.923,1265 5.708,1266 4.682,1267 9.237,1268 5.868,1269 8.74,1270 0.265,1271 0.135,1272 8.74,1273 4.44,1274 7.742,1275 0.161,1276 0.068,1277 7.742,1278 3.284,1279 7.011,1280 0.099,1281 0.035,1282 7.011,1283 2.469,1284 6.388,1285 0.064,1286 0.018,1287 6.388,1288 1.788,1289 0.403,1290 57.803,1291 0.258,1292 18.096,1293 0.884,1294 110,1295 333.68,1296 120.689,1297 323.247,1298 451.86,1299 302,1300 136,1301 348.15,1302 146.582,1303 350.527,1304 523.52,1305 332,1306 7.131} {0 CHEMBL1947106,1 1.561,2 6.476,3 3.23,4 10.434,5 74.003,6 8.79,7 0.833,8 3.644,9 3.704,10 3.343,11 3.209,12 4.92,13 3.241,14 4.105,15 4.189,16 3.753,17 3.601,18 5.39,19 3.63,20 4.287,21 4.385,22 3.855,23 3.708,24 5.576,25 3.734,26 4.334,27 4.451,28 3.823,29 3.701,30 5.574,31 3.717,32 4.308,33 4.443,34 3.709,35 3.629,36 5.576,37 3.622,38 4.307,39 4.451,40 3.559,41 3.449,42 5.652,43 3.444,44 4.084,45 4.278,46 3.016,47 3.12,48 5.392,49 3.035,50 3.779,51 4.01,52 2.139,53 2.611,54 4.892,55 2.461,56 0.135,57 0.405,58 4.69,59 2.889,60 12.914,61 2.642,62 0.31,63 0.651,64 8.624,65 4.63,66 20.747,67 4.535,68 0.386,69 0.785,70 10.991,71 5.487,72 31.976,73 5.301,74 0.363,75 0.826,76 12.017,77 5.886,78 29.11,79 5.908,80 0.37,81 0.804,82 12.178,83 5.931,84 30.759,85 6.389,86 0.6,87 0.784,88 13.673,89 5.657,90 47.465,91 5.701,92 0.515,93 0.616,94 12.9,95 4.995,96 50.869,97 5.695,98 0.415,99 0.434,100 11.442,101 3.788,102 43.309,103 4.01,104 11,105 36,106 0.284,107 0.634,108 0.772,109 0.872,110 0.883,111 0.883,112 3.107,113 0.8,114 -2.87,115 -2.88,116 -2.78,119 50,123 1,133 6,134 3,135 2,137 2,143 1,144 1,159 6,162 7,164 1,166 2,168 7,171 1,172 7,174 1,176 3,178 7,181 1,182 5,187 4,190 5,194 3,197 1,199 4,202 4,205 1,206 4,209 2,211 2,213 3,217 1,220 1,221 1,222 2,224 3,234 1,237 1,255 496,256 14.386,257 14.386,258 14.386,259 14.386,260 14.386,261 12.109,262 8.627,263 8.187,264 14.681,265 11.797,266 11.797,267 11.797,268 11.797,269 11.797,270 8.249,271 6.977,272 3.803,273 12.214,274 3.439,275 1.517,276 0.758,277 0.211,278 0.149,279 0.149,280 3.804,283 1,284 1,285 299,286 2.345,288 21.52,289 93.905,291 87.371,292 51.882,295 0.93,296 25.96,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 46.5,307 136,308 4.897,309 3.459,310 7.172,311 4.395,312 3.412,313 5.063,314 0.86,315 12.629,316 3.356,317 4.305,318 2.967,319 6.322,320 3.819,321 2.838,322 4.161,324 9.535,325 2.782,326 3.94,327 2.707,328 5.934,329 3.472,330 2.515,331 3.554,333 8.159,334 2.4,335 3.51,336 2.339,337 5.255,338 3.054,339 2.105,340 2.915,342 6.151,343 1.991,344 3.442,345 2.283,346 5.163,347 2.969,348 2.009,349 2.889,351 6.067,352 1.938,353 3.355,354 1.946,355 4.951,356 2.89,357 1.919,358 2.682,360 5.718,361 1.84,362 2.824,363 1.336,364 4.216,365 2.324,366 1.325,367 1.985,369 3.358,370 1.323,371 2.485,372 1.24,373 3.939,374 1.999,375 1.028,376 1.478,378 2.795,379 0.994,380 2.244,381 1.105,382 3.528,383 1.784,384 0.871,385 1.152,386 2.139,387 0.788,388 1.604,389 0.622,390 2.875,391 1.243,392 0.343,393 0.42,394 0.591,395 0.306,396 1.446,397 0.382,398 2.859,399 1.035,400 0.096,401 0.125,402 0.22,403 0.089,404 0.963,405 -0.262,406 2.611,407 0.455,408 -0.522,409 -0.744,411 -1.214,412 -0.503,413 0.756,414 -0.302,415 2.355,416 0.322,417 -0.624,418 -0.791,420 -1.605,421 -0.575,422 0.632,423 -0.554,424 2.274,425 0.243,426 -0.676,427 -0.888,429 -1.816,430 -0.623,431 0.5,432 -0.938,433 2.195,434 -0.01,435 -1,436 -1.5,438 -3.02,439 -0.988,440 9.733,441 0.463,442 0.572,443 0.027,444 31.5,445 1.5,446 17.5,447 0.833,448 14,449 0.667,450 12.905,451 0.615,452 21.467,453 0.671,454 22.06,455 1.05,456 6.38,457 0.304,458 3.806,459 0.181,460 0.12,462 0.462,466 0.963,467 0.981,468 0.682,469 0.873,470 1.015,471 0.737,472 0.856,473 0.966,474 0.652,475 0.821,476 0.602,477 0.711,478 1.014,479 0.957,480 0.818,481 0.893,482 0.885,483 0.821,484 1.004,485 1.082,486 0.89,487 1.04,488 0.888,489 0.954,490 0.823,491 1.196,492 0.931,493 1.179,494 0.83,495 1.107,496 1.118,497 1.113,498 1.218,499 1.181,500 1.214,501 1.211,502 0.951,503 1.044,504 1.306,505 1.183,506 0.901,507 1.311,508 1.653,509 0.838,510 1.696,511 0.967,512 1.937,513 1.263,514 4,516 2.444,517 1.882,518 1.987,519 0.827,520 0.558,521 0.174,522 0.041,524 3742,525 11752,526 2.155,527 34.4,529 9,532 2,536 1.643,537 2,538 2.754,539 0.331,541 1,543 1,545 49.946,546 1.561,547 3.483,548 4.242,549 4.789,550 4.851,551 4.851,552 2.111,553 4.392,554 4.367,555 2.823,556 592.753,557 7.537,558 5984.44,559 1,560 1,561 1,562 1,563 160,564 1.449,565 4.318,566 0.167,568 0.068,569 0.048,570 0.054,571 0.026,572 0.022,573 0.013,574 0.01,576 0.408,577 0.67,578 1,579 0.819,580 90.466,581 -0.144,582 0.002,583 0.001,584 0.06,585 -0.216,586 0.071,587 0.007,588 0.026,589 0.11,590 0.117,591 0.052,592 0.137,593 -0.068,594 0.05,595 -0.004,596 0.039,597 -0.053,598 0.033,599 -0.089,600 -0.087,601 -0.034,602 -0.1,603 -0.077,604 -0.062,605 0.03,606 -0.221,607 -0.036,608 -0.226,609 0.051,610 -0.167,611 0.042,612 -0.126,613 -0.211,614 -0.237,615 -0.032,616 -0.281,617 0.106,618 -0.116,619 -0.176,620 -0.185,621 0.214,622 -0.243,623 -0.373,624 0.05,625 -0.401,626 0.067,627 -0.414,628 -0.12,629 1.915,630 4.071,631 0.81,632 12.172,633 1.026,634 1.107,635 1.64,636 2.691,637 0.707,638 3.219,639 3.611,640 3.989,641 4.382,642 4.727,643 4.898,644 5.063,645 5.215,646 5.257,647 5.242,648 4.2,649 0.704,650 281.28,651 3.219,652 4.796,653 5.7,654 6.635,655 7.566,656 8.509,657 9.449,658 10.394,659 11.338,660 12.285,661 3.1,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 2,697 1,699 32,700 20,701 2,702 24,704 35,705 16,706 15,707 6,708 6,710 4,711 10,721 15,722 1,732 1,733 1,736 11,737 5,738 2,739 5,743 1,747 0.25,748 4,756 1,759 1,760 3,762 2,763 1,777 1,781 1,785 21,788 2,791 1,801 12.5,803 2,806 2,808 10.5,809 6.183,810 4.528,811 1.763,812 4.433,813 1.587,814 0.997,815 2.576,816 11.99,817 3.555,818 4.334,819 5.119,820 5.915,821 6.653,822 7.203,823 7.766,824 8.334,825 8.756,826 9.123,827 1,828 39,829 7.733,831 3.457,832 7.929,833 14.384,835 12.133,837 2.429,838 51,842 105.94,843 91.053,844 16.786,846 105.874,849 91.053,850 211.814,851 16.786,852 10.883,854 56.857,855 102.152,856 38.983,857 4.836,858 105.94,860 105.94,861 107.838,862 105.874,865 105.94,866 105.874,869 5.513,870 85.539,871 16.786,873 105.94,874 122.659,875 91.053,878 105.94,879 23.312,880 67.741,882 122.659,883 105.94,884 122.659,885 91.053,887 0.592,888 0.367,889 0.22,890 0.136,891 21,892 9,893 0.029,894 1,895 3,896 1.353,897 3.184,898 183.783,899 0.353,900 17,901 92.239,904 12.443,905 4.347,906 1.698,907 3.694,908 122.659,909 10.214,910 4.398,912 5.374,914 0.528,916 85.367,917 319.652,918 34,926 32.829,927 35.412,928 0.312,929 0.697,930 0.848,931 0.958,932 0.97,933 0.97,934 4.804,935 1.028,936 5.72,937 3.358,938 4.29,939 5.021,940 0.908,941 6.635,942 4.23,943 6.083,944 0.871,945 7.338,946 2.795,947 4.007,948 5.094,950 7.716,951 3.916,952 7.45,953 0.343,954 9.055,955 2.139,956 5.974,957 7.488,958 0.739,959 10.905,960 5.874,961 8.859,962 0.096,963 10.833,964 0.591,965 6.509,966 8.401,968 12.843,969 6.384,970 10.301,971 -0.522,972 12.649,973 0.22,974 7.976,975 10.287,976 0.593,977 15.575,978 7.847,979 11.768,980 -0.624,981 14.494,982 -1.214,983 8.889,984 11.59,986 17.871,987 8.74,988 13.256,989 -0.676,990 16.359,991 -1.605,992 10.178,993 13.289,994 0.469,995 20.459,996 10.022,997 3.412,998 -1,999 18.242,1000 -1.816,1001 11.262,1002 14.77,1004 22.9,1005 11.089,1006 2.838,1007 12.629,1008 20.139,1009 -3.02,1010 12.492,1011 16.404,1012 0.366,1013 25.445,1014 12.309,1015 2.515,1016 9.535,1017 22.047,1018 5.063,1019 13.651,1020 17.961,1022 27.942,1023 13.452,1024 2.105,1025 8.159,1026 23.964,1027 4.161,1028 14.866,1029 19.577,1030 0.283,1031 30.476,1032 14.655,1033 2.009,1034 6.151,1035 25.89,1036 3.554,1037 16.058,1038 21.167,1040 32.995,1041 15.831,1042 1.919,1043 6.067,1044 27.822,1045 2.915,1046 17.272,1047 22.78,1048 0.217,1049 35.527,1050 17.031,1051 1.325,1052 5.718,1053 29.759,1054 2.889,1055 18.48,1056 24.385,1058 38.055,1059 18.223,1060 3607,1061 6492,1062 16.126,1063 22.631,1064 36.937,1065 37.616,1066 38.959,1067 36.883,1068 36.919,1069 52.844,1070 1.72,1071 114.725,1072 35.613,1073 5.457,1074 5.459,1075 6.762,1076 5.401,1077 5.412,1078 8.063,1079 1.72,1080 20.158,1081 5.356,1082 9.425,1083 1.539,1084 1.567,1085 1.623,1086 1.537,1087 1.538,1088 2.202,1089 0.072,1090 4.78,1091 1.484,1092 4.238,1093 4.245,1094 4.224,1095 4.161,1096 6.484,1097 4.174,1098 3.862,1099 3.876,1100 3.819,1101 3.778,1102 6.469,1103 3.784,1104 3.498,1105 3.513,1106 3.446,1107 3.356,1108 5.116,1109 3.371,1110 3.253,1111 3.313,1112 3.103,1113 2.986,1114 4.825,1115 2.999,1116 3.114,1117 3.123,1118 3.041,1119 2.9,1120 4.533,1121 2.937,1122 2.893,1123 2.938,1124 2.799,1125 2.734,1126 4.192,1127 2.736,1128 2.804,1129 2.833,1130 2.68,1131 2.6,1132 4.122,1133 2.611,1134 2.677,1135 2.733,1136 2.514,1137 2.539,1138 3.735,1139 2.532,1140 0.204,1141 0.144,1142 0.299,1143 0.183,1144 0.142,1145 4.897,1146 0.211,1147 3.459,1148 0.036,1149 7.172,1150 0.526,1151 4.395,1152 0.14,1153 3.412,1154 5.063,1155 0.86,1156 12.629,1157 3.356,1158 2.065,1159 2.062,1160 2.108,1161 2.153,1162 1.294,1163 2.134,1164 1.862,1165 1.844,1166 1.948,1167 1.972,1168 1.037,1169 1.963,1170 1.48,1171 1.463,1172 1.581,1173 1.648,1174 0.642,1175 1.619,1176 1.193,1177 1.122,1178 1.539,1179 1.508,1180 0.572,1181 1.524,1182 1.031,1183 1.006,1184 1.197,1185 1.214,1186 0.231,1187 1.205,1188 0.914,1189 0.878,1190 1.093,1191 1.139,1192 0.138,1193 1.122,1194 0.726,1195 0.675,1196 0.973,1197 1.001,1198 0.055,1199 0.976,1200 0.616,1201 0.59,1202 0.825,1203 0.847,1205 0.853,1206 3.892,1208 5.263,1209 2.398,1210 6.849,1211 4.844,1212 8.541,1213 7.096,1214 10.29,1216 1.584,1221 19.81,1224 5.398,1231 22.515,1232 49.946,1233 111.471,1234 135.735,1235 153.245,1236 155.245,1237 155.245,1238 30.372,1239 7.557,1240 75.72,1241 75.72,1242 23,1243 12.777,1244 4.392,1245 3.459,1246 27.639,1247 52,1248 51,1249 0.273,1250 134.034,1251 217.36,1252 318.804,1253 17590,1255 14.56,1256 0.693,1257 0.53,1258 14.56,1259 11.122,1260 10.186,1261 0.424,1262 0.267,1263 6.282,1264 9.718,1265 6.152,1266 5.067,1267 10.186,1268 6.397,1269 9.469,1270 0.263,1271 0.133,1272 9.469,1273 4.777,1274 8.487,1275 0.16,1276 0.068,1277 8.487,1278 3.585,1279 7.703,1280 0.098,1281 0.034,1282 7.703,1283 2.701,1284 6.981,1285 0.062,1286 0.018,1287 6.981,1288 1.96,1289 0.395,1290 64.61,1291 0.249,1292 19.749,1293 0.863,1294 120,1295 389.416,1296 133.568,1297 369.451,1298 512.83,1299 346,1300 149,1301 389.696,1302 162.572,1303 391.992,1304 584.75,1305 369,1306 6.456} {0 CHEMBL1947107,1 1.509,2 6.35,3 3.733,4 13.933,5 72.581,6 8.557,7 0.87,8 3.6,9 3.669,10 3.283,11 3.212,12 4.848,13 3.224,14 4.061,15 4.156,16 3.711,17 3.62,18 5.322,19 3.625,20 4.28,21 4.395,22 3.794,23 3.732,24 5.534,25 3.728,26 4.333,27 4.481,28 3.726,29 3.711,30 5.5,31 3.69,32 4.265,33 4.422,34 3.579,35 3.59,36 5.501,37 3.553,38 4.177,39 4.326,40 3.407,41 3.373,42 5.489,43 3.35,44 4.044,45 4.258,46 2.724,47 3.018,48 5.297,49 2.895,50 3.556,51 3.837,52 1.681,53 2.36,54 4.582,55 2.138,56 0.086,57 0.383,58 4.783,59 2.758,60 11.766,61 2.729,62 0.18,63 0.626,64 8.214,65 4.516,66 16.157,67 4.999,68 0.286,69 0.786,70 11.45,71 5.576,72 28.777,73 5.903,74 0.222,75 0.84,76 13.242,77 6.151,78 25.919,79 6.887,80 0.285,81 0.795,82 12.505,83 5.652,84 29.825,85 6.436,86 0.283,87 0.686,88 12.071,89 5.279,90 33.032,91 5.541,92 0.44,93 0.604,94 13.472,95 4.907,96 55.7,97 5.361,98 0.245,99 0.37,100 9.86,101 3.332,102 36.171,103 4.082,104 10,105 35,106 0.276,107 0.633,108 0.776,109 0.879,110 0.879,111 0.879,112 3.062,113 0.82,114 -3.39,115 -3.37,116 -3.23,119 51.6,120 1,133 6,134 4,135 1,137 2,143 1,144 1,159 9,162 5,164 1,166 2,168 11,171 1,172 6,174 1,176 3,178 11,182 4,187 4,190 8,194 3,197 1,199 5,202 6,206 4,209 1,211 4,213 5,221 1,222 3,224 4,234 1,237 1,255 422,256 13.516,257 13.516,258 13.516,259 13.516,260 13.516,261 11.187,262 6.739,263 7.664,264 13.639,265 11.36,266 11.36,267 11.36,268 11.36,269 11.36,270 7.82,271 3.796,272 3.648,273 11.599,274 3.445,275 1.501,276 0.718,277 0.153,278 0.153,279 0.153,280 3.758,283 1,284 1,285 282,286 2.121,288 20.28,289 87.295,291 81.691,292 48.115,295 0.885,296 22.127,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 43.5,307 127,308 4.894,309 3.44,310 7.162,311 4.394,312 3.407,313 5.061,315 12.577,316 3.363,317 4.297,318 2.895,319 6.291,320 3.813,321 2.822,322 4.156,324 9.402,325 2.796,326 3.932,327 2.686,328 5.925,329 3.467,330 2.502,331 3.546,333 8.096,334 2.408,335 3.499,336 2.289,337 5.248,338 3.045,339 2.087,340 2.907,342 6.121,343 1.995,344 3.438,345 2.142,346 5.029,347 2.957,348 1.971,349 2.885,351 5.863,352 1.939,353 3.315,354 1.932,355 4.938,356 2.867,357 1.889,358 2.64,360 5.501,361 1.842,362 2.823,363 1.325,364 4.15,365 2.323,366 1.324,367 1.984,369 3.327,370 1.323,371 2.484,372 1.136,373 3.934,374 1.999,375 1.027,376 1.478,378 2.779,379 0.994,380 2.174,381 0.82,382 3.511,383 1.687,384 0.725,385 1.032,386 1.948,387 0.695,388 1.491,389 0.402,390 2.86,391 1.066,392 0.121,393 0.159,394 0.291,395 0.113,396 1.064,397 -0.094,398 2.709,399 0.678,400 -0.312,401 -0.407,402 -0.72,403 -0.309,404 0.93,405 -0.267,406 2.412,407 0.435,408 -0.55,409 -0.776,411 -1.595,412 -0.535,413 0.644,414 -0.55,415 2.344,416 0.252,417 -0.664,418 -0.853,420 -1.756,421 -0.603,422 0.5,423 -0.919,424 2.265,425 -0.01,426 -1,427 -1.483,429 -2.98,430 -0.988,431 0.302,432 -1,433 1.922,434 -0.13,435 -1.094,436 -1.5,438 -3.189,439 -1.049,440 9.4,441 0.47,442 0.61,443 0.031,444 30,445 1.5,446 17,447 0.85,448 13,449 0.65,450 12.605,451 0.63,452 20,453 0.645,454 20.059,455 1.003,456 5.936,457 0.297,458 3.711,459 0.186,460 0.124,462 0.479,466 0.947,467 0.899,468 0.701,469 0.794,470 1.013,471 0.714,472 0.582,473 1.012,474 0.584,475 0.882,476 0.491,477 0.766,478 0.94,479 0.965,480 0.867,481 0.923,482 0.837,483 0.89,484 0.928,485 1.092,486 0.9,487 1.03,488 0.824,489 0.97,490 0.817,491 1.108,492 1.026,493 1.134,494 0.851,495 1.117,496 1.317,497 1.223,498 1.206,499 1.288,500 1.317,501 1.241,502 1.468,503 0.945,504 1.551,505 1.08,506 1.368,507 1.282,508 1.401,509 0.795,510 1.429,511 0.918,512 1.925,513 1.134,514 4,516 2.444,517 1.882,518 1.947,519 0.684,520 0.496,521 0.099,522 0.02,524 3323,525 9667,526 2.163,527 35.5,528 3,529 6,532 2,536 1.628,537 2,538 2.711,539 0.311,541 1,543 1,545 46.771,546 1.509,547 3.453,548 4.236,549 4.801,550 4.801,551 4.801,552 2.088,553 4.222,554 4.298,555 2.767,556 525.739,557 7.393,558 5108.81,559 1,560 1,561 1,562 1,563 153.58,564 1.458,565 4.245,566 0.174,568 0.07,569 0.051,570 0.057,571 0.024,572 0.023,573 0.011,574 0.01,576 0.42,577 0.67,578 1,579 0.627,580 84.377,581 -0.135,582 0.061,583 -0.003,584 0.115,585 -0.214,586 0.092,587 0.151,588 -0.041,589 0.166,590 0.037,591 0.117,592 0.089,593 -0.006,594 0.026,595 -0.035,597 -0.032,598 -0.024,599 -0.078,600 -0.112,601 0.001,602 -0.083,603 -0.044,604 -0.035,605 0.051,606 -0.105,607 -0.104,608 -0.194,609 0.043,610 -0.178,611 -0.101,612 -0.278,613 -0.208,614 -0.33,615 -0.068,616 -0.306,617 -0.146,618 -0.001,619 -0.367,620 -0.063,621 -0.021,622 -0.221,623 -0.216,624 0.117,625 -0.084,626 0.172,627 -0.341,628 0.092,629 1.867,630 4.039,631 0.85,632 10.91,633 1.016,634 1.103,635 2.16,636 4.666,637 0.715,638 3.178,639 3.584,640 3.951,641 4.344,642 4.682,643 4.844,644 4.99,645 5.153,646 5.182,647 5.13,648 4.04,649 0.703,650 265.28,651 3.178,652 4.762,653 5.666,654 6.603,655 7.532,656 8.475,657 9.414,658 10.359,659 11.301,660 12.247,661 3.2,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 2,699 31,700 20,701 2,702 23,704 34,705 16,706 15,707 6,708 6,710 4,711 10,715 1,721 15,722 1,733 1,736 11,737 4,738 2,739 4,743 1,747 0.25,748 3,756 1,759 1,760 3,762 2,763 1,777 1,781 1,785 20,788 2,801 9.7,803 2,806 1,808 10,809 6.017,810 4.194,811 1.804,812 4.425,813 1.594,814 1.015,815 2.236,816 11.877,817 3.526,818 4.321,819 5.101,820 5.897,821 6.63,822 7.177,823 7.731,824 8.305,825 8.718,826 9.068,827 1,828 37,829 7.374,831 3.32,832 7.875,833 13.849,835 11.889,837 2.375,838 47.5,842 105.94,843 86.937,844 16.786,846 94.874,849 86.937,850 200.814,851 16.786,852 8.825,854 56.857,855 102.152,856 25.925,857 4.836,858 105.94,860 105.94,861 103.722,862 94.874,865 105.94,866 94.874,869 14.339,870 72.598,871 16.786,873 105.94,874 111.66,875 86.937,878 105.94,879 21.254,880 65.683,882 111.66,883 105.94,884 111.66,885 86.937,887 0.601,888 0.365,889 0.216,890 0.133,891 21,892 9,895 3,896 1.353,897 3.108,898 172.494,899 0.353,900 17,901 84.439,904 11.557,905 3.869,906 1.537,907 4.283,908 111.66,909 10.63,910 4.43,912 5.381,914 1.025,916 85.367,917 304.536,918 33,926 31.502,927 34.203,928 0.305,929 0.697,930 0.855,931 0.969,932 0.969,933 0.969,934 4.779,935 1.027,936 5.694,937 3.327,938 4.263,939 5.007,941 6.608,942 4.223,943 6.067,944 0.725,945 7.313,946 2.779,947 4.007,948 5.094,950 7.684,951 3.94,952 7.436,953 0.121,954 9.031,955 1.948,956 5.948,957 7.48,959 10.873,960 5.88,961 8.846,962 -0.312,963 10.809,964 0.291,965 6.494,966 8.396,968 12.805,969 6.404,970 10.289,971 -0.55,972 12.625,973 -0.72,974 7.953,975 10.281,977 15.539,978 7.861,979 11.756,980 -0.664,981 14.469,982 -1.595,983 8.87,984 11.585,986 17.831,987 8.762,988 13.245,989 -1,990 16.334,991 -1.756,992 10.155,993 13.284,995 20.418,996 10.042,997 3.407,998 -1.094,999 18.217,1000 -2.98,1001 11.241,1002 14.765,1004 22.855,1005 11.115,1006 2.822,1007 12.577,1008 20.113,1009 -3.189,1010 12.47,1011 16.399,1013 25.398,1014 12.335,1015 2.502,1016 9.402,1017 22.02,1018 5.061,1019 13.629,1020 17.956,1022 27.891,1023 13.481,1024 2.087,1025 8.096,1026 23.937,1027 4.156,1028 14.843,1029 19.572,1031 30.422,1032 14.685,1033 1.971,1034 6.121,1035 25.862,1036 3.546,1037 16.035,1038 21.162,1040 32.938,1041 15.864,1042 1.889,1043 5.863,1044 27.794,1045 2.907,1046 17.248,1047 22.774,1049 35.467,1050 17.066,1051 1.324,1052 5.501,1053 29.731,1054 2.885,1055 18.455,1056 24.379,1058 37.991,1059 18.26,1060 3183,1061 5533,1062 15.433,1063 22.176,1064 35.997,1065 36.046,1066 37.59,1067 35.759,1068 35.751,1069 51.694,1071 111.813,1072 34.935,1073 5.394,1074 5.44,1075 6.698,1076 5.394,1077 5.407,1078 8.061,1080 20.105,1081 5.363,1082 8.95,1083 1.565,1084 1.567,1085 1.634,1086 1.555,1087 1.554,1088 2.248,1090 4.861,1091 1.519,1092 4.24,1093 4.25,1094 4.225,1095 4.169,1096 6.484,1097 4.18,1098 3.868,1099 3.886,1100 3.821,1101 3.792,1102 6.469,1103 3.796,1104 3.503,1105 3.525,1106 3.446,1107 3.372,1108 5.1,1109 3.384,1110 3.19,1111 3.263,1112 3.066,1113 3.046,1114 4.776,1115 3.029,1116 3.113,1117 3.123,1118 3.012,1119 2.899,1120 4.288,1121 2.936,1122 2.842,1123 2.879,1124 2.755,1125 2.685,1126 4.135,1127 2.685,1128 2.797,1129 2.832,1130 2.661,1131 2.585,1132 3.923,1133 2.608,1134 2.491,1135 2.578,1136 2.259,1137 2.314,1138 3.655,1139 2.288,1140 0.213,1141 0.15,1142 0.311,1143 0.191,1144 0.148,1145 4.894,1146 0.22,1147 3.44,1149 7.162,1150 0.547,1151 4.394,1152 0.146,1153 3.407,1154 5.061,1156 12.577,1157 3.363,1158 2.073,1159 2.068,1160 2.123,1161 2.155,1162 1.315,1163 2.139,1164 1.886,1165 1.864,1166 1.982,1167 1.985,1168 1.081,1169 1.986,1170 1.484,1171 1.465,1172 1.586,1173 1.649,1174 0.65,1175 1.622,1176 1.195,1177 1.123,1178 1.5,1179 1.416,1180 0.59,1181 1.453,1182 1.031,1183 1.005,1184 1.197,1185 1.2,1186 0.229,1187 1.2,1188 0.895,1189 0.856,1190 1.086,1191 1.13,1192 0.135,1193 1.111,1194 0.619,1195 0.595,1196 0.884,1197 0.972,1199 0.929,1200 0.562,1201 0.502,1202 0.81,1203 0.773,1205 0.793,1206 3.85,1208 5.231,1209 2.398,1210 6.821,1211 4.844,1212 8.515,1213 7.096,1214 10.264,1216 1.999,1221 19.752,1231 21.8,1232 46.771,1233 107.051,1234 131.315,1235 148.825,1236 148.825,1237 148.825,1238 27.462,1239 7.451,1240 66.49,1241 66.49,1242 23,1243 12.739,1244 4.392,1245 3.459,1246 25.844,1247 48,1248 46,1249 0.279,1250 130.038,1251 208.57,1252 309.053,1253 15441,1255 13.853,1256 0.693,1257 0.536,1258 13.853,1259 10.714,1260 9.648,1261 0.419,1262 0.273,1263 6.212,1264 9.334,1265 6.054,1266 4.993,1267 9.648,1268 6.285,1269 9.278,1270 0.265,1271 0.14,1272 9.278,1273 4.892,1274 8.16,1275 0.16,1276 0.071,1277 8.16,1278 3.612,1279 7.431,1280 0.098,1281 0.036,1282 7.431,1283 2.737,1284 6.657,1285 0.062,1286 0.018,1287 6.657,1288 1.962,1289 0.402,1290 60.267,1291 0.255,1292 18.881,1293 0.886,1294 116,1295 341.68,1296 126.689,1297 331.885,1298 464.93,1299 310,1300 144,1301 359.15,1302 154.582,1303 362.918,1304 542.17,1305 343,1306 6.18} {0 CHEMBL1947108,1 1.809,2 6.609,3 4.189,4 17.546,5 73.514,6 10.298,7 0.769,8 3.641,9 3.695,10 3.438,11 3.205,12 5.012,13 3.269,14 4.147,15 4.214,16 3.968,17 3.612,18 6.055,19 3.682,20 4.322,21 4.419,22 3.978,23 3.723,24 5.785,25 3.781,26 4.409,27 4.529,28 4.014,29 3.695,30 5.915,31 3.779,32 4.37,33 4.487,34 4.006,35 3.569,36 6.078,37 3.677,38 4.266,39 4.381,40 3.785,41 3.351,42 5.898,43 3.474,44 4.185,45 4.336,46 3.6,47 2.988,48 6.194,49 3.106,50 3.726,51 3.934,52 2.81,53 2.32,54 5.724,55 2.403,56 0.345,57 0.634,58 2.409,59 2.863,60 55.489,61 2.022,62 0.945,63 1.406,64 4.723,65 4.773,66 148.275,67 3.51,68 0.776,69 1.168,70 7.402,71 5.74,72 97.002,73 4.738,74 0.974,75 1.389,76 9.778,77 6.406,78 139.107,79 5.039,80 1.026,81 1.457,82 8.728,83 5.916,84 138.835,85 4.528,86 0.973,87 1.146,88 8.558,89 5.505,90 138.151,91 3.872,92 1.435,93 0.986,94 11.925,95 5.121,96 192.628,97 4.208,98 0.989,99 0.616,100 10.463,101 3.495,102 163.294,103 2.97,104 27,105 41,106 0.331,107 0.633,108 0.776,109 0.879,110 0.879,111 0.879,112 3.192,113 0.762,114 -4.02,115 -3.97,116 -3.76,119 51.6,127 1,133 6,134 4,135 1,137 2,143 1,144 1,159 8,162 5,164 1,166 2,168 9,171 1,172 6,174 1,176 3,178 9,182 3,187 4,190 6,194 3,197 1,199 5,202 5,206 3,209 1,211 3,213 4,221 1,222 2,224 3,234 1,237 1,255 632,256 14.988,257 14.988,258 14.988,259 14.988,260 14.988,261 12.75,262 8.768,263 8.362,264 15.362,265 12.854,266 12.854,267 12.854,268 12.854,269 12.854,270 9.371,271 6.479,272 3.986,273 13.576,274 3.145,275 1.501,276 0.718,277 0.153,278 0.153,279 0.153,280 3.881,284 1,285 329,286 3.24,288 24.001,289 107.123,291 98.731,292 59.417,295 0.964,296 52.721,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 54,307 152,308 4.927,309 4.472,310 7.404,311 4.464,312 3.512,313 5.072,314 3.825,315 13.191,316 3.392,317 4.46,318 3.4,319 6.94,320 4.104,321 3.198,322 4.198,324 11.437,325 2.92,326 4.118,327 2.818,328 6.142,329 3.665,330 2.709,331 3.646,333 8.945,334 2.539,335 3.816,336 2.647,337 5.877,338 3.372,339 2.424,340 3.211,342 7.898,343 2.262,344 3.474,345 2.288,346 5.245,347 3.022,348 2.069,349 2.897,351 6.118,352 1.961,353 3.429,354 1.979,355 4.963,356 2.931,357 1.941,358 2.834,360 5.805,361 1.918,362 2.988,363 1.821,364 4.783,365 2.52,366 1.593,367 2.153,369 4.874,370 1.443,371 2.817,372 1.323,373 4.134,374 2.318,375 1.32,376 1.972,378 3.29,379 1.315,380 2.484,381 1.129,382 3.934,383 1.999,384 1.027,385 1.477,386 2.765,387 0.994,388 2.072,389 0.717,390 3.521,391 1.566,392 0.613,393 0.882,394 1.747,395 0.58,396 1.481,397 0.51,398 2.889,399 1.053,400 0.11,401 0.144,402 0.265,403 0.102,404 0.976,405 0.51,406 2.86,407 0.474,408 -0.505,409 -0.718,411 -1.355,412 -0.491,413 0.833,414 0.389,415 2.621,416 0.381,417 -0.597,418 -0.786,420 -1.615,421 -0.568,422 0.637,423 -0.263,424 2.356,425 0.248,426 -0.671,427 -0.883,429 -1.899,430 -0.62,431 0.5,432 -0.327,433 2.274,434 -0.01,435 -1,436 -1,438 -3,439 -0.7,440 10.257,441 0.446,442 0.899,443 0.039,444 32.25,445 1.402,446 17,447 0.739,448 15.25,449 0.663,450 15.664,451 0.681,452 24.543,453 0.792,454 26.143,455 1.137,456 6.575,457 0.286,458 4.284,459 0.186,460 0.149,461 0.049,462 0.439,463 3,466 0.727,467 0.749,468 0.572,469 0.794,470 0.741,471 0.675,472 0.448,473 0.648,474 0.495,475 0.864,476 0.387,477 0.81,478 0.724,479 0.776,480 0.728,481 0.917,482 0.616,483 0.888,484 1.032,485 1.06,486 0.909,487 1.034,488 0.971,489 0.94,490 1.059,491 1.156,492 0.944,493 1.145,494 1.126,495 1.049,496 1.325,497 1.234,498 1.21,499 1.291,500 1.283,501 1.223,502 1.034,503 1.191,504 1.266,505 1.085,506 1.132,507 1.241,508 1.532,509 1.223,510 1.789,511 0.922,512 1.653,513 1.226,514 6,516 3.111,517 2.382,518 2.315,519 1.334,520 0.845,521 0.361,522 0.082,524 4592,525 19636,526 2.078,527 25.8,529 6,532 2,536 1.669,537 1.878,538 2.771,539 0.364,541 1,545 56.07,546 1.809,547 3.453,548 4.236,549 4.801,550 4.801,551 4.801,552 2.114,553 4.143,554 4.499,555 2.879,556 728.472,557 7.807,558 7853.93,560 1,561 1,562 1,563 153.58,564 1.735,565 4.416,566 0.231,568 0.076,569 0.055,570 0.054,571 0.033,572 0.027,573 0.017,574 0.01,576 0.504,577 0.5,578 1,579 0.872,580 102.45,581 -0.106,582 0.018,583 -0.047,584 0.109,585 -0.159,586 0.105,587 0.351,588 0.325,589 0.124,590 0.065,591 0.388,592 -0.035,593 -0.049,594 -0.052,595 0.015,596 -0.009,597 -0.018,598 0.019,599 -0.186,600 -0.152,601 -0.04,602 -0.09,603 -0.141,604 -0.001,605 -0.072,606 -0.095,607 -0.045,608 -0.196,609 -0.106,610 -0.158,611 -0.284,612 -0.283,613 -0.229,614 -0.334,615 -0.255,616 -0.29,617 0.287,618 -0.075,619 0.037,620 -0.063,621 0.197,622 -0.169,623 -0.039,624 0.048,625 -0.198,626 0.179,627 -0.011,628 0.027,629 5.825,630 5.34,631 0.739,632 13.414,633 1.066,634 1.136,635 2.791,636 7.789,637 0.709,638 3.296,639 3.738,640 4.06,641 4.454,642 4.812,643 4.997,644 5.193,645 5.328,646 5.394,647 5.434,648 4.411,649 0.74,650 319.25,651 3.296,652 4.905,653 5.802,654 6.753,655 7.681,656 8.636,657 9.576,658 10.531,659 11.476,660 12.431,661 3.2,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 2,699 31,700 20,701 2,702 26,704 34,705 16,706 15,707 6,708 6,710 4,711 10,715 1,718 1,721 15,722 1,733 1,734 3,736 8,737 7,738 2,739 7,743 1,747 0.25,748 3,756 1,759 1,760 3,762 2,763 1,777 1,783 3,785 23,788 2,795 1,800 3,801 9.7,803 2,806 1,808 12.25,809 5.695,810 4.694,811 1.724,812 4.443,813 1.574,814 1.015,815 2.785,816 12.184,817 3.611,818 4.398,819 5.154,820 5.951,821 6.695,822 7.255,823 7.832,824 8.389,825 8.827,826 9.226,827 1,828 43,829 9.068,831 4.698,832 8.576,833 15.097,835 12.983,837 3.076,838 70.75,842 70.627,843 85.871,844 16.786,846 94.874,847 44.88,849 85.871,850 165.501,851 61.666,854 56.857,855 102.152,856 70.806,857 4.836,858 70.627,859 7.76,860 70.627,861 102.657,862 139.754,865 70.627,866 139.754,869 13.273,870 72.598,871 16.786,873 115.507,874 111.66,875 85.871,878 78.386,879 21.254,880 56.857,882 156.54,883 70.627,884 156.54,885 85.871,887 0.613,888 0.354,889 0.203,890 0.129,891 24,892 11,895 3,896 1.353,897 3.253,898 210.632,899 0.353,900 17,901 99.287,904 14.158,905 4.525,906 2.022,907 0.39,908 156.54,909 7.622,910 4.043,912 5.186,914 -1.547,916 85.367,917 313.038,918 36,926 33.04,927 35.222,928 0.365,929 0.697,930 0.855,931 0.969,932 0.969,933 0.969,934 4.898,935 1.32,936 5.878,937 4.874,938 4.419,939 5.085,940 3.037,941 6.832,942 4.322,943 6.204,944 1.027,945 7.531,946 3.29,947 4.369,948 5.231,949 3.903,950 8.12,951 4.132,952 7.588,953 0.613,954 9.291,955 2.765,956 6.196,957 7.546,958 5.42,959 11.237,960 6.002,961 9.012,962 0.11,963 11.114,964 1.747,965 6.899,966 8.482,967 6.69,968 13.302,969 6.578,970 10.465,971 -0.505,972 12.976,973 0.265,974 8.309,975 10.339,976 8.058,977 16.024,978 8.005,979 11.941,980 -0.597,981 14.865,982 -1.355,983 9.323,984 11.647,985 9.388,986 18.389,987 8.931,988 13.435,989 -0.671,990 16.774,991 -1.615,992 10.6,993 13.334,994 10.734,995 20.992,996 10.199,997 3.512,998 -1,999 18.697,1000 -1.899,1001 11.741,1002 14.814,1003 12.074,1004 23.474,1005 11.281,1006 3.198,1007 13.191,1008 20.633,1009 -3,1010 12.979,1011 16.443,1012 13.416,1013 26.043,1014 12.497,1015 2.709,1016 11.437,1017 22.578,1018 5.072,1019 14.173,1020 17.999,1021 14.758,1022 28.572,1023 13.648,1024 2.424,1025 8.945,1026 24.531,1027 4.198,1028 15.403,1029 19.613,1030 16.1,1031 31.134,1032 14.851,1033 2.069,1034 7.898,1035 26.49,1036 3.646,1037 16.621,1038 21.202,1039 17.441,1040 33.684,1041 16.034,1042 1.941,1043 6.118,1044 28.455,1045 3.211,1046 17.853,1047 22.814,1048 18.783,1049 36.246,1050 17.237,1051 1.593,1052 5.805,1053 30.423,1054 2.897,1055 19.082,1056 24.419,1057 20.124,1058 38.806,1059 18.434,1060 4479,1061 9364,1062 16.819,1063 21.989,1064 41.668,1065 41.077,1066 42.81,1067 41.294,1068 41.034,1069 56.976,1070 7.651,1071 132.672,1072 38.853,1073 5.586,1074 6.472,1075 6.917,1076 5.473,1077 5.512,1078 8.072,1079 5.335,1080 21.152,1081 5.392,1082 12.753,1083 1.603,1084 1.58,1085 1.647,1086 1.588,1087 1.578,1088 2.191,1089 0.294,1090 5.103,1091 1.494,1092 4.243,1093 4.252,1094 4.231,1095 4.169,1096 8.513,1097 4.181,1098 3.877,1099 3.892,1100 3.842,1101 3.792,1102 7.999,1103 3.799,1104 3.525,1105 3.546,1106 3.507,1107 3.371,1108 7.999,1109 3.39,1110 3.312,1111 3.348,1112 3.306,1113 3.038,1114 6.484,1115 3.084,1116 3.114,1117 3.123,1118 3.048,1119 2.898,1120 6.469,1121 2.937,1122 2.859,1123 2.892,1124 2.806,1125 2.684,1126 5.092,1127 2.697,1128 2.8,1129 2.832,1130 2.679,1131 2.584,1132 4.762,1133 2.609,1134 2.555,1135 2.616,1136 2.456,1137 2.304,1138 4.249,1139 2.347,1140 0.189,1141 0.172,1142 0.285,1143 0.172,1144 0.135,1145 4.927,1146 0.195,1147 4.472,1148 0.147,1149 7.404,1150 0.507,1151 4.464,1152 0.13,1153 3.512,1154 5.072,1155 3.825,1156 13.191,1157 3.392,1158 2.07,1159 2.067,1160 2.112,1161 2.155,1162 1.307,1163 2.137,1164 1.879,1165 1.86,1166 1.956,1167 1.987,1168 1.06,1169 1.975,1170 1.482,1171 1.465,1172 1.554,1173 1.65,1174 0.642,1175 1.617,1176 1.09,1177 1.063,1178 1.198,1179 1.436,1180 0.25,1181 1.334,1182 1.031,1183 1.004,1184 1.166,1185 1.202,1186 0.203,1187 1.196,1188 0.885,1189 0.849,1190 1.071,1191 1.13,1192 0.129,1193 1.106,1194 0.618,1195 0.594,1196 0.833,1197 0.973,1199 0.918,1200 0.503,1201 0.468,1202 0.676,1203 0.775,1205 0.773,1206 3.97,1208 5.38,1209 2.398,1210 6.984,1211 4.844,1212 8.684,1213 7.096,1214 10.437,1218 40.02,1221 19.611,1228 -4.575,1231 22.95,1232 56.07,1233 107.051,1234 131.315,1235 148.825,1236 148.825,1237 148.825,1238 53.529,1239 7.741,1240 66.49,1241 66.49,1242 23,1243 12.919,1244 4.392,1245 3.459,1246 31.41,1247 60,1248 58,1249 0.268,1250 133.633,1251 226.78,1252 317.824,1253 21894,1254 9.7,1255 16.353,1256 0.711,1257 0.493,1258 13.853,1259 11.348,1260 10.859,1261 0.418,1262 0.254,1263 6.452,1264 10.249,1265 6.417,1266 5.201,1267 9.648,1268 6.602,1269 11.273,1270 0.275,1271 0.125,1272 9.278,1273 5.121,1274 8.935,1275 0.157,1276 0.065,1277 8.16,1278 3.709,1279 8.092,1280 0.095,1281 0.033,1282 7.431,1283 2.799,1284 7.416,1285 0.061,1286 0.017,1287 6.657,1288 2.038,1289 0.389,1290 69.785,1291 0.244,1292 21.337,1293 0.848,1294 134,1295 618.013,1296 161.706,1297 511.611,1298 672.47,1299 472,1300 165,1301 483.15,1302 186.058,1303 466.153,1304 715.57,1305 439,1306 5.678} {0 CHEMBL1947109,1 1.482,2 8.615,3 4.498,4 20.228,5 94.37,6 8.804,7 0.867,8 3.831,9 3.894,10 3.531,11 3.461,12 5.113,13 3.475,14 4.272,15 4.345,16 3.952,17 3.873,18 5.576,19 3.878,20 4.542,21 4.659,22 4.04,23 4,24 5.805,25 3.991,26 4.57,27 4.709,28 3.998,29 4.002,30 5.75,31 3.98,32 4.542,33 4.682,34 3.984,35 3.988,36 5.766,37 3.958,38 4.572,39 4.71,40 3.934,41 3.92,42 5.848,43 3.898,44 4.495,45 4.667,46 3.676,47 3.737,48 5.782,49 3.684,50 4.319,51 4.498,52 3.386,53 3.422,54 5.626,55 3.376,56 0.126,57 0.458,58 5.569,59 3.359,60 17.632,61 3.13,62 0.194,63 0.731,64 8.367,65 5.322,66 15.345,67 5.524,68 0.38,69 0.991,70 14.473,71 7.274,72 41.298,73 7.508,74 0.309,75 1.036,76 15.762,77 7.758,78 39.147,79 8.385,80 0.308,81 1.011,82 14.855,83 7.588,84 33.505,85 8.681,86 0.361,87 1.042,88 15.785,89 7.63,90 41.681,91 7.987,92 0.428,93 0.975,94 16.8,95 7.472,96 54.579,97 8.258,98 0.418,99 0.789,100 15.653,101 6.501,102 51.089,103 6.863,104 10,105 45,106 0.255,107 0.527,108 0.683,109 0.833,110 0.866,111 0.875,112 3.306,113 0.808,114 -3.81,115 -3.77,116 -3.58,119 53.8,133 10,134 5,135 2,137 2,143 1,144 1,159 13,162 5,164 1,166 4,168 17,171 1,172 6,174 1,176 5,178 19,182 4,187 5,190 16,194 5,197 1,199 6,202 14,206 6,209 1,211 6,213 11,217 2,221 1,222 7,224 8,229 2,232 1,234 7,237 5,247 3,250 2,255 928,256 17.74,257 17.74,258 17.74,259 17.74,260 17.74,261 14.75,262 6.47,263 10.155,264 17.903,265 14.83,266 14.83,267 14.83,268 14.83,269 14.83,270 10.304,271 3.488,272 4.854,273 15.151,274 3.804,275 2.223,276 1.32,277 0.449,278 0.256,279 0.205,280 4.019,284 1,285 503,286 2.345,288 28.336,289 182.301,291 115.283,292 70.73,295 1.231,296 30.62,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 56.5,307 224,308 4.909,309 3.448,310 7.202,311 4.417,312 3.429,313 5.072,315 12.749,316 3.389,317 4.37,318 2.971,319 6.474,320 3.93,321 2.936,322 4.207,324 10.054,325 2.918,326 4.074,327 2.733,328 5.992,329 3.609,330 2.631,331 3.74,333 8.459,334 2.572,335 3.863,336 2.626,337 5.716,338 3.398,339 2.433,340 3.45,342 7.491,343 2.341,344 3.568,345 2.335,346 5.244,347 3.143,348 2.18,349 2.972,351 6.121,352 2.091,353 3.461,354 2.284,355 5.044,356 3.013,357 2.057,358 2.895,360 6.041,361 1.957,362 3.42,363 1.951,364 4.956,365 2.926,366 1.936,367 2.804,369 5.777,370 1.913,371 2.936,372 1.533,373 4.574,374 2.443,375 1.467,376 2.136,378 4.319,379 1.427,380 2.816,381 1.32,382 4.065,383 2.316,384 1.318,385 1.973,386 3.271,387 1.316,388 2.5,389 1.125,390 3.926,391 2,392 1.027,393 1.5,394 2.762,395 1,396 2.484,397 1,398 3.51,399 1.999,400 1,401 1.477,402 2.275,403 0.994,404 2.106,405 0.683,406 3.414,407 1.602,408 0.639,409 0.926,411 1.779,412 0.613,413 1.488,414 0.39,415 2.86,416 1.062,417 0.117,418 0.154,420 0.283,421 0.11,422 1.199,423 0.111,424 2.773,425 0.811,426 -0.143,427 -0.183,429 -0.324,430 -0.135,431 0.96,432 -0.266,433 2.567,434 0.451,435 -0.53,436 -0.767,438 -1.463,439 -0.516,440 12.233,441 0.471,442 0.73,443 0.028,444 40.25,445 1.548,446 23.5,447 0.904,448 16.75,449 0.644,450 16.638,451 0.64,452 25.567,453 0.656,454 30.2,455 1.162,456 8.009,457 0.308,458 4.605,459 0.177,460 0.082,462 0.45,466 0.971,467 0.814,468 0.703,469 0.724,470 1.033,471 0.665,472 0.597,473 1.056,474 0.66,475 0.958,476 0.521,477 0.857,478 0.939,479 0.921,480 0.894,481 0.894,482 0.862,483 0.887,484 0.893,485 0.997,486 0.908,487 0.95,488 0.824,489 0.934,490 0.615,491 1.059,492 0.835,493 1.022,494 0.624,495 0.989,496 1.024,497 1.136,498 1.072,499 1.132,500 0.97,501 1.115,502 0.983,503 1.087,504 1.169,505 1.156,506 0.924,507 1.191,508 1.402,509 1.072,510 1.281,511 1.165,512 1.471,513 1.195,514 5,515 0.066,516 3.111,517 2.007,518 2.124,519 1.066,520 0.83,521 0.391,522 0.252,523 0.138,524 7234,525 21983,526 2.192,527 33.3,529 10,532 3,536 1.699,537 2.053,538 3.079,539 0.898,541 1,545 57.786,546 1.482,547 3.062,548 3.965,549 4.836,550 5.029,551 5.08,552 2.484,553 4.47,554 4.672,555 3.18,556 1033.59,557 8.143,558 12035.1,560 1,562 1,563 206.131,564 1.399,565 4.635,566 0.167,567 0.011,568 0.069,569 0.042,570 0.046,571 0.024,572 0.02,573 0.013,574 0.012,575 0.013,576 0.416,577 0.5,578 0.88,579 0.54,580 122.555,581 -0.155,582 0.119,583 -0.024,584 0.162,585 -0.227,586 0.116,587 0.098,588 -0.115,589 0.027,590 -0.073,591 0.071,592 -0.05,593 -0.038,594 0.057,595 -0.041,596 0.037,597 -0.052,598 0.003,599 -0.09,600 -0.02,601 -0.017,603 -0.083,604 0.009,605 0.084,606 -0.086,607 0.041,608 -0.073,609 0.065,610 -0.037,611 -0.08,612 -0.143,613 -0.146,614 -0.186,615 -0.062,616 -0.183,617 -0.012,618 -0.099,619 -0.132,620 -0.165,621 0.058,622 -0.17,623 -0.136,624 -0.117,625 -0.133,626 -0.135,627 -0.126,628 -0.138,629 1.925,630 4.313,631 0.885,632 18.154,633 1.018,634 1.098,635 2.582,636 6.667,637 0.728,638 3.434,639 3.829,640 4.19,641 4.575,642 4.942,643 5.13,644 5.342,645 5.549,646 5.663,647 5.759,648 5.122,649 0.719,650 343.35,651 3.434,652 5.017,653 5.916,654 6.845,655 7.77,656 8.708,657 9.645,658 10.588,659 11.53,660 12.476,661 2.6,671 1,674 6,675 10,676 1,678 1,680 5,682 26,696 3,699 39,700 26,701 3,702 30,704 43,705 21,706 21,707 8,708 10,710 5,711 11,721 21,733 1,736 13,737 5,738 3,739 5,743 1,747 0.4,748 4,756 1,759 1,760 4,762 2,763 1,777 2,785 26,788 3,801 10.3,803 3,806 1,808 12.667,809 7.05,810 5.472,811 2.222,812 5.449,813 1.656,814 1.013,815 3.192,816 13.756,817 3.784,818 4.551,819 5.31,820 6.09,821 6.837,822 7.388,823 7.991,824 8.592,825 9.076,826 9.54,827 0.833,828 48,829 9.591,831 4.35,832 7.917,833 17.928,835 15.448,837 2.417,838 62.833,842 117.711,843 119.202,844 16.786,846 137.557,849 119.202,850 255.268,851 16.786,854 94.762,855 144.836,856 29.111,857 4.836,858 117.711,860 117.711,861 135.988,862 137.557,865 117.711,866 137.557,869 5.513,870 113.689,871 16.786,873 117.711,874 154.343,875 119.202,878 117.711,879 24.44,880 94.762,882 154.343,883 117.711,884 154.343,885 119.202,887 0.597,888 0.357,889 0.207,890 0.131,891 26,892 11,893 0.023,894 1,895 3,896 1.261,897 3.656,898 250.421,899 0.261,900 23,901 118.211,904 15.198,905 5.46,906 2.274,907 3.776,908 154.343,909 17.374,910 4.523,912 5.47,914 1.872,916 128.05,917 391.256,918 43,926 39.713,927 42.827,928 0.28,929 0.579,930 0.75,931 0.915,932 0.951,933 0.961,934 5.034,935 1.467,936 5.932,937 5.777,938 4.511,939 5.239,941 6.83,942 4.471,943 6.308,944 1.318,945 7.538,946 4.319,947 4.205,948 5.247,950 7.879,951 4.13,952 7.664,953 1.027,954 9.245,955 3.271,956 6.18,957 7.666,959 11.064,960 6.113,961 9.061,962 1,963 11.012,964 2.762,965 6.686,966 8.518,968 12.983,969 6.594,970 10.49,971 0.639,972 12.819,973 2.275,974 8.16,975 10.419,977 15.714,978 8.073,979 11.945,980 0.117,981 14.655,982 1.779,983 9.048,984 11.679,986 18.002,987 8.944,988 13.421,989 -0.143,990 16.514,991 0.283,992 10.337,993 13.382,995 20.591,996 10.233,997 3.429,998 -0.53,999 18.391,1000 -0.324,1001 11.405,1002 14.838,1004 23.03,1005 11.288,1006 2.936,1007 12.749,1008 20.282,1009 -1.463,1010 12.632,1011 16.471,1013 25.578,1014 12.51,1015 2.631,1016 10.054,1017 22.186,1018 5.072,1019 13.782,1020 18.015,1022 28.077,1023 13.648,1024 2.433,1025 8.459,1026 24.101,1027 4.207,1028 14.994,1029 19.629,1031 30.615,1032 14.852,1033 2.18,1034 7.491,1035 26.023,1036 3.74,1037 16.181,1038 21.213,1040 33.139,1041 16.028,1042 2.057,1043 6.121,1044 27.953,1045 3.45,1046 17.393,1047 22.824,1049 35.677,1050 17.231,1051 1.936,1052 6.041,1053 29.889,1054 2.972,1055 18.599,1056 24.426,1058 38.212,1059 18.425,1060 6738,1061 11857,1062 20.403,1063 28.392,1064 46.724,1065 46.611,1066 48.235,1067 46.409,1068 46.342,1069 66.615,1071 142.764,1072 45.28,1073 5.551,1074 5.448,1075 6.72,1076 5.428,1077 5.429,1078 8.072,1080 20.309,1081 5.389,1082 11.167,1083 1.557,1084 1.554,1085 1.608,1086 1.547,1087 1.545,1088 2.22,1090 4.759,1091 1.509,1092 4.248,1093 4.257,1094 4.234,1095 4.181,1096 6.485,1097 4.192,1098 3.932,1099 3.946,1100 3.887,1101 3.865,1102 6.471,1103 3.868,1104 3.786,1105 3.809,1106 3.733,1107 3.708,1108 6.468,1109 3.71,1110 3.476,1111 3.49,1112 3.422,1113 3.347,1114 5.102,1115 3.359,1116 3.115,1117 3.123,1118 3.054,1119 2.933,1120 4.792,1121 2.948,1122 3.039,1123 3.063,1124 2.973,1125 2.885,1126 4.579,1127 2.914,1128 2.854,1129 2.925,1130 2.766,1131 2.735,1132 4.235,1133 2.715,1134 2.836,1135 2.863,1136 2.687,1137 2.679,1138 4.13,1139 2.684,1140 0.164,1141 0.115,1142 0.24,1143 0.147,1144 0.114,1145 4.909,1146 0.169,1147 3.448,1149 7.202,1150 0.425,1151 4.417,1152 0.113,1153 3.429,1154 5.072,1156 12.749,1157 3.389,1158 2.085,1159 2.08,1160 2.132,1161 2.159,1162 1.326,1163 2.145,1164 1.944,1165 1.929,1166 2.022,1167 2.034,1168 1.127,1169 2.032,1170 1.753,1171 1.729,1172 1.864,1173 1.855,1174 0.936,1175 1.858,1176 1.477,1177 1.461,1178 1.55,1179 1.639,1180 0.641,1181 1.609,1182 1.031,1183 1.008,1184 1.197,1185 1.23,1186 0.241,1187 1.211,1188 0.979,1189 0.955,1190 1.181,1191 1.159,1192 0.218,1193 1.152,1194 0.886,1195 0.837,1196 1.131,1197 1.104,1198 0.199,1199 1.107,1200 0.872,1201 0.821,1202 1.07,1203 1.062,1204 0.131,1205 1.086,1206 4.111,1208 5.485,1209 2.398,1210 7.066,1211 4.844,1212 8.747,1213 7.096,1214 10.483,1221 29.817,1231 28.041,1232 57.786,1233 119.427,1234 154.647,1235 188.621,1236 196.131,1237 198.131,1238 40.204,1239 8.306,1240 86.72,1241 86.72,1242 29,1243 12.969,1244 4.755,1245 3.807,1246 33.564,1247 78,1248 96,1249 0.214,1250 165.821,1251 272.68,1252 396.362,1253 46288,1255 17.836,1256 0.686,1257 0.518,1258 17.836,1259 13.471,1260 12.614,1261 0.42,1262 0.269,1263 7.991,1264 12.229,1265 7.859,1266 6.449,1267 12.614,1268 8.08,1269 11.984,1270 0.266,1271 0.137,1272 11.984,1273 6.17,1274 10.541,1275 0.162,1276 0.07,1277 10.541,1278 4.582,1279 9.4,1280 0.098,1281 0.036,1282 9.4,1283 3.444,1284 8.683,1285 0.062,1286 0.018,1287 8.683,1288 2.565,1289 0.318,1290 78.642,1291 0.221,1292 24.126,1293 0.648,1294 150,1295 441.83,1296 162.793,1297 430.964,1298 600.87,1299 402,1300 185,1301 460.181,1302 197.243,1303 465.635,1304 693.28,1305 441,1306 5} {0 CHEMBL1947110,1 1.578,2 6.45,3 2.979,4 8.875,5 69.234,6 9.216,7 0.87,8 3.566,9 3.618,10 3.29,11 3.15,12 4.898,13 3.188,14 3.992,15 4.05,16 3.722,17 3.557,18 5.371,19 3.589,20 4.245,21 4.345,22 3.784,23 3.646,24 5.598,25 3.67,26 4.242,27 4.377,28 3.679,29 3.577,30 5.496,31 3.588,32 4.103,33 4.221,34 3.586,35 3.423,36 5.519,37 3.44,38 4.058,39 4.183,40 3.369,41 3.199,42 5.482,43 3.23,44 3.829,45 4.005,46 2.887,47 2.816,48 5.397,49 2.77,50 3.398,51 3.609,52 2.093,53 2.198,54 4.861,55 2.117,56 0.171,57 0.362,58 3.821,59 2.522,60 21.554,61 2.028,62 0.248,63 0.573,64 5.318,65 3.926,66 18.585,67 3.645,68 0.442,69 0.744,70 9.646,71 5.135,72 44.815,73 4.611,74 0.388,75 0.754,76 11.041,77 5.358,78 44.349,79 5.308,80 0.38,81 0.64,82 8.826,83 4.664,84 37.643,85 4.778,86 0.442,87 0.599,88 9.557,89 4.322,90 47.751,91 3.675,92 0.539,93 0.474,94 9.61,95 3.741,96 68.968,97 4.051,98 0.374,99 0.294,100 7.728,101 2.566,102 52.507,103 2.653,104 10,105 35,106 0.293,107 0.586,108 0.72,109 0.837,110 0.875,111 0.888,112 3.062,113 0.783,114 -2.62,115 -2.64,116 -2.57,119 51.7,133 6,134 3,135 2,137 2,143 1,144 1,159 6,162 5,164 1,166 4,168 7,171 1,172 6,174 1,176 5,178 8,182 2,187 5,190 5,194 3,197 2,199 6,202 4,206 2,209 1,211 3,213 3,220 1,221 2,222 2,224 2,233 1,234 2,237 1,255 428,256 13.464,257 13.464,258 13.464,259 13.464,260 13.464,261 11.154,262 6.47,263 7.629,264 13.627,265 11.37,266 11.37,267 11.37,268 11.37,269 11.37,270 7.839,271 3.488,272 3.667,273 11.688,274 3.28,275 1.699,276 0.975,277 0.345,278 0.138,279 0.069,280 3.758,284 1,285 286,286 2.121,288 20.642,289 88.396,291 82.641,292 49.054,295 0.95,296 28.706,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 44.5,307 129,308 4.869,309 3.405,310 7.087,311 4.363,312 3.378,313 5.033,315 12.301,316 3.329,317 4.264,318 2.848,319 6.152,320 3.767,321 2.782,322 4.12,324 9.05,325 2.739,326 3.917,327 2.679,328 5.871,329 3.448,330 2.487,331 3.526,333 7.928,334 2.383,335 3.562,336 2.386,337 5.257,338 3.111,339 2.152,340 3,342 6.21,343 2.058,344 3.477,345 2.286,346 4.968,347 3.023,348 2.068,349 2.877,351 5.825,352 1.965,353 3.345,354 1.903,355 4.942,356 2.85,357 1.872,358 2.722,360 5.696,361 1.822,362 2.848,363 1.391,364 4.418,365 2.345,366 1.357,367 2.018,369 3.954,370 1.339,371 2.508,372 1.169,373 3.944,374 2.025,375 1.06,376 1.511,378 2.843,379 1.017,380 2.077,381 0.657,382 3.448,383 1.564,384 0.6,385 0.879,386 1.566,387 0.576,388 1.476,389 0.387,390 2.862,391 1.047,392 0.105,393 0.137,394 0.252,395 0.098,396 1.144,397 0.013,398 2.708,399 0.687,400 -0.257,401 -0.341,402 -0.673,403 -0.239,404 0.717,405 -0.29,406 2.406,407 0.263,408 -0.658,409 -0.812,411 -1.638,412 -0.595,413 0.673,414 -0.664,415 2.343,416 0.233,417 -0.746,418 -1.064,420 -2.25,421 -0.724,422 0.571,423 -0.785,424 2.27,425 0.104,426 -0.861,427 -1.233,429 -2.571,430 -0.828,431 0.292,432 -1.021,433 1.922,434 -0.165,435 -1.129,436 -1.609,438 -3.238,439 -1.092,440 9.233,441 0.462,442 0.627,443 0.031,444 30.75,445 1.538,446 17.5,447 0.875,448 13.25,449 0.663,450 11.433,451 0.572,452 20.167,453 0.695,454 21.01,455 1.05,456 6.12,457 0.306,458 3.511,459 0.176,460 0.108,462 0.487,466 1.015,467 0.837,468 0.7,469 0.714,470 1.064,471 0.629,472 0.623,473 1.106,474 0.589,475 0.973,476 0.525,477 0.827,478 1.013,479 0.962,480 0.936,481 0.921,482 0.926,483 0.909,484 0.978,485 1.031,486 0.929,487 0.995,488 0.883,489 0.95,490 0.783,491 1.16,492 0.867,493 1.177,494 0.831,495 1.09,496 1.445,497 1.154,498 1.306,499 1.212,500 1.397,501 1.21,502 0.869,503 0.994,504 1.29,505 1.148,506 0.976,507 1.303,508 1.472,509 0.795,510 1.569,511 0.926,512 1.665,513 1.191,514 4.5,516 2.444,517 1.729,518 1.822,519 0.705,520 0.512,521 0.153,522 0.041,524 3387,525 11339,526 2.163,527 31,529 6,532 3,536 1.627,537 2,538 2.755,539 1.103,541 1,542 1,543 1,545 45.749,546 1.578,547 3.159,548 3.883,549 4.513,550 4.72,551 4.789,552 2.133,553 4.222,554 4.297,555 2.819,556 535.69,557 7.385,558 5199.32,559 1,560 1,561 1,562 1,563 140.881,564 1.458,565 4.245,566 0.196,568 0.07,569 0.048,570 0.057,571 0.025,572 0.024,573 0.014,574 0.01,576 0.444,577 0.67,578 1,579 0.627,580 84.733,581 -0.203,582 0.123,583 -0.057,584 0.193,585 -0.263,586 0.142,587 0.078,588 -0.138,589 0.049,590 -0.076,591 0.072,592 -0.04,593 -0.1,594 0.028,595 -0.11,596 0.005,597 -0.108,598 -0.044,599 -0.13,600 -0.045,601 -0.003,602 -0.042,603 -0.1,604 0.011,605 0.108,606 -0.2,607 0.041,608 -0.23,609 0.084,610 -0.153,611 -0.244,612 -0.185,613 -0.285,614 -0.26,615 -0.208,616 -0.279,617 0.307,618 -0.048,619 -0.065,620 -0.128,621 0.322,622 -0.195,623 -0.094,624 0.111,625 -0.142,626 0.158,627 -0.052,628 0.035,629 1.95,630 3.955,631 0.85,632 11.24,633 1.033,634 1.103,635 1.391,636 1.935,637 0.72,638 3.178,639 3.584,640 3.932,641 4.317,642 4.673,643 4.828,644 4.997,645 5.17,646 5.176,647 5.142,648 4.136,649 0.724,650 267.25,651 3.178,652 4.762,653 5.659,654 6.592,655 7.516,656 8.454,657 9.389,658 10.329,659 11.268,660 12.209,661 3.4,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 3,699 29,700 20,701 2,702 23,704 32,705 15,706 15,707 6,708 6,710 4,711 10,721 15,733 1,736 9,737 5,738 3,739 5,743 1,747 0.25,748 4,756 1,759 1,760 3,762 2,763 1,777 1,785 20,788 3,801 13.8,803 3,806 1,808 10,809 5.217,810 4.167,811 1.597,812 4.414,813 1.592,814 0.985,815 2.218,816 11.865,817 3.526,818 4.321,819 5.087,820 5.878,821 6.624,822 7.167,823 7.737,824 8.315,825 8.714,826 9.076,827 1,828 36,829 7.371,831 3.379,832 8.075,833 13.551,835 11.653,837 2.575,838 51.5,842 70.627,843 74.926,844 16.786,846 137.557,849 74.926,850 208.184,851 16.786,854 56.857,855 144.836,856 22.74,857 4.836,858 70.627,860 70.627,861 91.712,862 137.557,865 70.627,866 137.557,869 5.513,870 69.413,871 16.786,873 70.627,874 154.343,875 74.926,878 70.627,879 18.069,880 56.857,882 154.343,883 70.627,884 154.343,885 74.926,887 0.603,888 0.357,889 0.208,890 0.134,891 21,892 9,895 3,896 1.353,897 3.13,898 171.219,899 0.353,900 17,901 86.439,904 11.522,905 3.85,906 1.593,907 3.353,908 154.343,909 9.374,910 4.299,912 5.309,914 -0.08,916 128.05,917 299.896,918 33,926 29.945,927 31.997,928 0.325,929 0.65,930 0.799,931 0.929,932 0.972,933 0.986,934 4.779,935 1.06,936 5.687,937 3.954,938 4.263,939 5.007,941 6.586,942 4.211,943 6.067,944 0.6,945 7.296,946 2.843,947 4.007,948 5.094,950 7.621,951 3.916,952 7.434,953 0.105,954 9.003,955 1.566,956 5.938,957 7.473,959 10.796,960 5.851,961 8.84,962 -0.257,963 10.766,964 0.252,965 6.463,966 8.373,968 12.683,969 6.347,970 10.276,971 -0.658,972 12.567,973 -0.673,974 7.918,975 10.257,977 15.405,978 7.805,979 11.736,980 -0.746,981 14.396,982 -1.638,983 8.813,984 11.545,986 17.663,987 8.68,988 13.217,989 -0.861,990 16.246,991 -2.25,992 10.094,993 13.242,995 20.236,996 9.958,997 3.378,998 -1.129,999 18.115,1000 -2.571,1001 11.162,1002 14.712,1004 22.646,1005 11.011,1006 2.782,1007 12.301,1008 19.997,1009 -3.238,1010 12.384,1011 16.342,1013 25.171,1014 12.226,1015 2.487,1016 9.05,1017 21.892,1018 5.033,1019 13.531,1020 17.891,1022 27.64,1023 13.359,1024 2.152,1025 7.928,1026 23.797,1027 4.12,1028 14.737,1029 19.502,1031 30.152,1032 14.555,1033 2.068,1034 6.21,1035 25.71,1036 3.526,1037 15.918,1038 21.086,1040 32.645,1041 15.723,1042 1.872,1043 5.825,1044 27.63,1045 3,1046 17.123,1047 22.693,1049 35.154,1050 16.915,1051 1.357,1052 5.696,1053 29.556,1054 2.877,1055 18.321,1056 24.292,1058 37.656,1059 18.1,1060 3240,1061 6014,1062 15.433,1063 20.869,1064 35.986,1065 35.98,1066 37.391,1067 35.779,1068 35.72,1069 51.644,1071 111.251,1072 34.655,1073 5.369,1074 5.405,1075 6.391,1076 5.363,1077 5.378,1078 8.033,1080 19.828,1081 5.329,1082 9.098,1083 1.565,1084 1.564,1085 1.626,1086 1.556,1087 1.553,1088 2.245,1090 4.837,1091 1.507,1092 4.236,1093 4.244,1094 4.221,1095 4.16,1096 6.485,1097 4.173,1098 3.859,1099 3.874,1100 3.816,1101 3.776,1102 6.47,1103 3.783,1104 3.495,1105 3.505,1106 3.447,1107 3.353,1108 6.468,1109 3.37,1110 3.134,1111 3.131,1112 3.086,1113 2.91,1114 5.087,1115 2.945,1116 2.977,1117 3.018,1118 2.894,1119 2.821,1120 4.739,1121 2.838,1122 2.827,1123 2.843,1124 2.734,1125 2.626,1126 4.188,1127 2.623,1128 2.73,1129 2.785,1130 2.59,1131 2.573,1132 4.046,1133 2.595,1134 2.352,1135 2.405,1136 2.187,1137 1.932,1138 3.792,1139 1.981,1140 0.212,1141 0.148,1142 0.308,1143 0.19,1144 0.147,1145 4.869,1146 0.219,1147 3.405,1149 7.087,1150 0.535,1151 4.363,1152 0.145,1153 3.378,1154 5.033,1156 12.301,1157 3.329,1158 2.065,1159 2.062,1160 2.11,1161 2.152,1162 1.29,1163 2.134,1164 1.858,1165 1.841,1166 1.94,1167 1.966,1168 1.027,1169 1.958,1170 1.479,1171 1.463,1172 1.554,1173 1.643,1174 0.64,1175 1.613,1176 1.028,1177 1.01,1178 1.191,1179 1.227,1180 0.203,1181 1.212,1182 0.937,1183 0.917,1184 1.098,1185 1.207,1186 0.138,1187 1.16,1188 0.803,1189 0.751,1190 1.05,1191 1.045,1192 0.081,1193 1.037,1194 0.619,1195 0.598,1196 0.828,1197 0.894,1199 0.885,1200 0.368,1201 0.333,1202 0.655,1203 0.778,1205 0.747,1206 3.85,1208 5.231,1209 2.398,1210 6.815,1211 4.844,1212 8.498,1213 7.081,1214 10.238,1221 29.245,1231 20.988,1232 45.749,1233 91.597,1234 112.617,1235 130.881,1236 136.881,1237 138.881,1238 31.079,1239 7.451,1240 86.72,1241 86.72,1242 23,1243 12.704,1244 4.392,1245 3.459,1246 25.884,1247 49,1248 47,1249 0.272,1250 124.442,1251 200.06,1252 295.399,1253 15447,1255 13.853,1256 0.693,1257 0.508,1258 13.853,1259 10.161,1260 9.631,1261 0.419,1262 0.261,1263 5.914,1264 9.246,1265 5.834,1266 4.771,1267 9.631,1268 6.002,1269 9.374,1270 0.268,1271 0.132,1272 9.374,1273 4.625,1274 8.084,1275 0.162,1276 0.067,1277 8.084,1278 3.36,1279 7.227,1280 0.098,1281 0.034,1282 7.227,1283 2.508,1284 6.7,1285 0.063,1286 0.017,1287 6.7,1288 1.831,1289 0.395,1290 60.743,1291 0.255,1292 18.967,1293 0.855,1294 116,1295 373.83,1296 128.793,1297 359.658,1298 495.55,1299 334,1300 143,1301 377.181,1302 155.243,1303 378.84,1304 563.91,1305 358,1306 7.174} {0 CHEMBL1947111,1 1.615,2 7.048,3 2.712,4 7.353,5 70.928,6 9.442,7 0.833,8 3.611,9 3.656,10 3.339,11 3.16,12 4.989,13 3.214,14 4.023,15 4.071,16 3.783,17 3.572,18 5.445,19 3.621,20 4.294,21 4.376,22 3.88,23 3.671,24 5.782,25 3.717,26 4.32,27 4.442,28 3.762,29 3.611,30 5.667,31 3.637,32 4.178,33 4.3,34 3.658,35 3.455,36 5.599,37 3.486,38 4.111,39 4.219,40 3.508,41 3.236,42 5.663,43 3.297,44 3.926,45 4.074,46 3.103,47 2.883,48 5.587,49 2.893,50 3.553,51 3.746,52 2.396,53 2.334,54 5.057,55 2.315,56 0.247,57 0.383,58 3.879,59 2.648,60 32.928,61 1.909,62 0.321,63 0.601,64 4.899,65 4.083,66 29.91,67 3.526,68 0.611,69 0.774,70 9.161,71 5.298,72 71.458,73 4.407,74 0.621,75 0.801,76 11.485,77 5.677,78 73.747,79 5.236,80 0.514,81 0.686,82 9.854,83 5.054,84 56.444,85 5.084,86 0.592,87 0.617,88 9.294,89 4.437,90 72.017,91 3.676,92 0.672,93 0.498,94 9.87,95 3.893,96 87.938,97 3.836,98 0.476,99 0.335,100 8.603,101 2.759,102 67.905,103 2.676,104 17,105 37,106 0.298,107 0.593,108 0.73,109 0.851,110 0.892,111 0.904,112 3.107,113 0.768,114 -2.12,115 -2.16,116 -2.14,119 50,133 5,134 3,135 3,137 2,143 1,144 1,159 5,162 5,164 1,166 4,168 6,171 1,172 5,174 1,175 1,176 6,178 7,182 2,185 1,187 6,190 4,194 3,197 2,199 6,202 3,206 1,209 1,210 1,211 4,213 2,220 2,221 2,222 3,224 1,233 1,234 2,246 1,247 1,255 484,256 13.964,257 13.964,258 13.964,259 13.964,260 13.964,261 11.601,262 7.232,263 7.803,264 14.154,265 11.838,266 11.838,267 11.838,268 11.838,269 11.838,270 8.227,271 3.97,272 3.736,273 12.22,274 3.291,275 1.691,276 0.945,277 0.292,278 0.067,280 3.8,283 1,284 1,285 327,286 2.236,288 22.72,289 95.206,291 90.09,292 52.329,295 0.921,296 35.651,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 47.5,307 148,308 4.874,309 3.418,310 7.09,311 4.37,312 3.384,313 5.038,315 12.313,316 3.335,317 4.331,318 3.033,319 6.223,320 3.849,321 2.875,322 4.182,324 9.279,325 2.799,326 3.992,327 2.755,328 5.916,329 3.534,330 2.573,331 3.609,333 8.101,334 2.462,335 3.672,336 2.408,337 5.693,338 3.206,339 2.248,340 3.15,342 7.268,343 2.143,344 3.561,345 2.378,346 5.25,347 3.11,348 2.151,349 3,351 6.226,352 2.058,353 3.345,354 1.95,355 4.953,356 2.853,357 1.877,358 2.724,360 5.726,361 1.824,362 2.933,363 1.657,364 4.501,365 2.446,366 1.47,367 2.134,369 4.256,370 1.431,371 2.63,372 1.37,373 4.198,374 2.169,375 1.218,376 1.681,378 3.461,379 1.151,380 2.126,381 0.891,382 3.508,383 1.628,384 0.684,385 0.965,386 1.772,387 0.641,388 1.636,389 0.544,390 3.195,391 1.231,392 0.303,393 0.388,394 0.776,395 0.278,396 1.186,397 0.014,398 2.807,399 0.727,400 -0.226,401 -0.306,402 -0.61,403 -0.213,404 0.909,405 -0.048,406 2.579,407 0.511,408 -0.401,409 -0.495,411 -0.987,412 -0.361,413 0.703,414 -0.389,415 2.394,416 0.257,417 -0.691,418 -0.894,420 -1.88,421 -0.642,422 0.572,423 -0.78,424 2.274,425 0.108,426 -0.859,427 -1.233,429 -2.572,430 -0.828,431 0.401,432 -0.834,433 2.144,434 -0.051,435 -1,436 -1.361,438 -2.867,439 -0.943,440 9.567,441 0.456,442 0.716,443 0.034,444 32,445 1.524,446 18,447 0.857,448 14,449 0.667,450 12.413,451 0.591,452 21.633,453 0.721,454 22.999,455 1.095,456 6.376,457 0.304,458 3.666,459 0.175,460 0.139,462 0.523,466 1.067,467 0.815,468 0.725,469 0.685,470 1.105,471 0.595,472 0.646,473 1.124,474 0.545,475 0.985,476 0.562,477 0.805,478 0.946,479 0.991,480 0.904,481 0.951,482 0.846,483 0.925,484 0.964,485 1.027,486 0.992,487 1.002,488 0.952,489 0.998,490 0.8,491 1.117,492 0.834,493 1.128,494 0.79,495 1.04,496 1.249,497 1.183,498 1.19,499 1.239,500 1.163,501 1.203,502 1.003,503 1.011,504 1.294,505 1.152,506 1.132,507 1.294,508 1.478,509 0.822,510 1.555,511 0.933,512 1.611,513 1.168,514 5,516 2.889,517 1.917,518 2.013,519 0.844,520 0.658,521 0.249,522 0.103,523 0.016,524 3818,525 13802,526 2.126,527 30,529 5,532 4,536 1.64,537 1.938,538 2.844,539 1.921,541 1,542 1,543 1,545 48.464,546 1.615,547 3.216,548 3.961,549 4.615,550 4.84,551 4.907,552 2.201,553 4.107,554 4.366,555 2.905,556 610.04,557 7.524,558 6086.79,559 1,560 1,561 1,562 1,563 147.207,564 1.494,565 4.303,566 0.208,568 0.078,569 0.049,570 0.059,571 0.028,572 0.027,573 0.018,574 0.017,575 0.008,576 0.493,577 0.5,578 1,579 0.665,580 90.856,581 -0.249,582 0.17,583 -0.093,584 0.249,585 -0.293,586 0.181,587 0.043,588 -0.13,589 0.061,590 -0.062,591 0.04,592 -0.016,593 -0.045,594 0.008,595 -0.113,596 -0.019,597 -0.019,598 -0.076,599 -0.092,600 -0.04,601 -0.066,602 -0.044,603 -0.122,604 -0.037,605 0.061,606 -0.154,607 0.11,608 -0.162,609 0.044,610 -0.057,611 -0.127,612 -0.219,613 -0.196,614 -0.294,615 -0.064,616 -0.28,617 0.198,618 -0.082,619 -0.096,620 -0.162,621 0.177,622 -0.231,623 -0.186,624 0.09,625 -0.153,626 0.097,627 -0.159,628 0.025,629 2.057,630 3.964,631 0.81,632 12.435,633 1.042,634 1.107,635 0.887,636 0.787,637 0.711,638 3.219,639 3.638,640 3.989,641 4.357,642 4.718,643 4.898,644 5.075,645 5.263,646 5.283,647 5.252,648 4.317,649 0.723,650 283.25,651 3.219,652 4.812,653 5.714,654 6.648,655 7.575,656 8.515,657 9.451,658 10.393,659 11.334,660 12.277,661 3.3,671 1,674 6,675 5,676 1,678 1,680 4,682 20,696 4,699 30,700 20,701 2,702 24,704 33,705 15,706 15,707 7,708 5,710 4,711 10,721 15,732 1,733 1,736 9,737 6,738 4,739 6,743 1,747 0.25,748 5,756 1,759 1,760 3,762 2,763 1,777 1,785 21,788 4,801 16.7,803 4,806 1,808 10.833,809 5.333,810 4.361,811 1.599,812 4.414,813 1.584,814 0.95,815 2.411,816 11.969,817 3.555,818 4.36,819 5.123,820 5.906,821 6.657,822 7.216,823 7.794,824 8.38,825 8.792,826 9.161,827 0.8,828 39,829 7.758,831 3.611,832 8.222,833 14.026,835 12.069,837 2.722,838 57.167,842 58.856,843 65.45,844 16.786,846 180.241,849 65.45,850 239.096,851 16.786,854 47.381,855 187.519,856 22.74,857 4.836,858 58.856,860 58.856,861 82.235,862 180.241,865 58.856,866 180.241,869 5.513,870 59.936,871 16.786,873 58.856,874 197.026,875 65.45,878 58.856,879 18.069,880 47.381,882 197.026,883 58.856,884 197.026,885 65.45,887 0.609,888 0.366,889 0.203,890 0.129,891 22,892 10,895 3,896 1.353,897 3.179,898 183.496,899 0.353,900 17,901 92.239,904 12.407,905 4.081,906 1.688,907 2.641,908 197.026,909 7.185,910 4.259,912 5.23,914 -0.984,916 170.733,917 321.332,918 34,926 31.273,927 33.206,928 0.329,929 0.655,930 0.807,931 0.941,932 0.986,933 1,934 4.82,935 1.218,936 5.753,937 4.256,938 4.317,939 5.047,941 6.661,942 4.257,943 6.117,944 0.684,945 7.373,946 3.461,947 4.111,948 5.173,950 7.706,951 4.007,952 7.491,953 0.303,954 9.089,955 1.772,956 6.009,957 7.518,959 10.874,960 5.908,961 8.902,962 -0.226,963 10.859,964 0.776,965 6.567,966 8.437,968 12.746,969 6.43,970 10.342,971 -0.401,972 12.662,973 -0.61,974 8.001,975 10.303,977 15.465,978 7.868,979 11.805,980 -0.691,981 14.491,982 -0.987,983 8.91,984 11.596,986 17.707,987 8.753,988 13.287,989 -0.859,990 16.34,991 -1.88,992 10.18,993 13.284,995 20.276,996 10.02,997 3.384,998 -1,999 18.204,1000 -2.572,1001 11.251,1002 14.753,1004 22.677,1005 11.074,1006 2.875,1007 12.313,1008 20.082,1009 -2.867,1010 12.466,1011 16.379,1013 25.199,1014 12.283,1015 2.573,1016 9.279,1017 21.971,1018 5.038,1019 13.61,1020 17.926,1022 27.664,1023 13.414,1024 2.248,1025 8.101,1026 23.87,1027 4.182,1028 14.812,1029 19.534,1031 30.174,1032 14.606,1033 2.151,1034 7.268,1035 25.777,1036 3.609,1037 15.99,1038 21.116,1040 32.665,1041 15.772,1042 1.877,1043 6.226,1044 27.691,1045 3.15,1046 17.192,1047 22.722,1049 35.173,1050 16.963,1051 1.47,1052 5.726,1053 29.612,1054 3,1055 18.387,1056 24.319,1058 37.675,1059 18.146,1060 3677,1061 7075,1062 15.838,1063 21.324,1064 37.865,1065 37.941,1066 39.384,1067 37.622,1068 37.566,1069 53.743,1071 118.352,1072 36.243,1073 5.374,1074 5.418,1075 6.391,1076 5.372,1077 5.384,1078 8.038,1080 19.849,1081 5.335,1082 10.877,1083 1.578,1084 1.581,1085 1.641,1086 1.568,1087 1.565,1088 2.239,1090 4.931,1091 1.51,1092 4.236,1093 4.244,1094 4.223,1095 4.16,1096 6.532,1097 4.173,1098 3.864,1099 3.874,1100 3.827,1101 3.775,1102 6.481,1103 3.785,1104 3.505,1105 3.508,1106 3.466,1107 3.352,1108 6.469,1109 3.375,1110 3.134,1111 3.131,1112 3.086,1113 2.91,1114 6.402,1115 2.945,1116 2.997,1117 3.029,1118 2.93,1119 2.822,1120 5.076,1121 2.846,1122 2.828,1123 2.851,1124 2.734,1125 2.634,1126 4.714,1127 2.636,1128 2.794,1129 2.822,1130 2.67,1131 2.577,1132 4.092,1133 2.61,1134 2.383,1135 2.425,1136 2.217,1137 1.948,1138 4.04,1139 2.005,1140 0.203,1141 0.142,1142 0.295,1143 0.182,1144 0.141,1145 4.874,1146 0.21,1147 3.418,1149 7.09,1150 0.513,1151 4.37,1152 0.139,1153 3.384,1154 5.038,1156 12.313,1157 3.335,1158 2.062,1159 2.061,1160 2.1,1161 2.152,1162 1.289,1163 2.13,1164 1.857,1165 1.84,1166 1.933,1167 1.966,1168 1.022,1169 1.956,1170 1.47,1171 1.462,1172 1.523,1173 1.651,1174 0.61,1175 1.607,1176 1.027,1177 1.012,1178 1.185,1179 1.235,1180 0.197,1181 1.214,1182 0.937,1183 0.917,1184 1.09,1185 1.213,1186 0.124,1187 1.162,1188 0.804,1189 0.753,1190 1.05,1191 1.047,1192 0.081,1193 1.04,1194 0.628,1195 0.622,1196 0.821,1197 0.957,1199 0.916,1200 0.375,1201 0.346,1202 0.669,1203 0.833,1205 0.787,1206 3.892,1208 5.283,1209 2.398,1210 6.874,1211 4.844,1212 8.564,1213 7.081,1214 10.307,1221 38.836,1231 21.703,1232 48.464,1233 96.478,1234 118.842,1235 138.452,1236 145.207,1237 147.207,1238 38.939,1239 7.555,1240 106.95,1241 106.95,1242 23,1243 12.771,1244 4.392,1245 3.459,1246 27.728,1247 54,1248 51,1249 0.266,1250 128.438,1251 208.85,1252 305.15,1253 17369,1255 14.723,1256 0.701,1257 0.501,1258 14.723,1259 10.531,1260 10.042,1261 0.418,1262 0.256,1263 6.039,1264 9.594,1265 5.969,1266 4.87,1267 10.042,1268 6.143,1269 9.882,1270 0.267,1271 0.129,1272 9.882,1273 4.781,1274 8.669,1275 0.164,1276 0.066,1277 8.669,1278 3.474,1279 7.456,1280 0.097,1281 0.033,1282 7.456,1283 2.543,1284 6.877,1285 0.062,1286 0.017,1287 6.877,1288 1.858,1289 0.388,1290 63.784,1291 0.251,1292 19.834,1293 0.826,1294 122,1295 413.979,1296 136.897,1297 395.94,1298 539.84,1299 366,1300 151,1301 407.211,1302 165.679,1303 408.013,1304 607.68,1305 385,1306 5.824} {0 CHEMBL1947112,1 1.687,2 6.45,3 3.452,4 11.916,5 67.757,6 9.616,7 0.87,8 3.533,9 3.587,10 3.295,11 3.136,12 4.878,13 3.177,14 3.979,15 4.041,16 3.732,17 3.538,18 5.4,19 3.578,20 4.225,21 4.333,22 3.792,23 3.616,24 5.624,25 3.652,26 4.193,27 4.322,28 3.688,29 3.538,30 5.508,31 3.565,32 4.063,33 4.18,34 3.602,35 3.381,36 5.552,37 3.414,38 4.012,39 4.137,40 3.386,41 3.139,42 5.5,43 3.193,44 3.782,45 3.973,46 2.938,47 2.716,48 5.496,49 2.703,50 3.226,51 3.456,52 2.12,53 2.008,54 4.905,55 1.972,56 0.179,57 0.415,58 2.98,59 2.414,60 22.442,61 1.927,62 0.296,63 0.677,64 4.396,65 3.82,66 25.022,67 3.361,68 0.527,69 0.882,70 8.896,71 5.067,72 59.293,73 4.324,74 0.453,75 0.831,76 9.314,77 5.03,78 55.38,79 4.6,80 0.439,81 0.755,82 7.47,83 4.414,84 47.203,85 4.255,86 0.496,87 0.665,88 8.427,89 4.219,90 56.741,91 3.451,92 0.654,93 0.595,94 9.389,95 3.694,96 86.435,97 3.775,98 0.396,99 0.358,100 6.689,101 2.293,102 61.773,103 2.34,104 10,105 35,106 0.315,107 0.619,108 0.781,109 0.897,110 0.897,111 0.897,112 3.062,113 0.778,114 -3.53,115 -3.51,116 -3.35,119 53.6,133 6,134 3,135 2,137 2,143 1,144 1,159 6,162 5,164 1,166 2,168 7,171 1,172 6,174 1,176 3,178 8,182 2,187 4,190 5,194 3,197 1,199 5,202 4,206 2,209 1,211 2,213 3,221 1,222 1,224 2,234 1,237 1,255 428,256 13.464,257 13.464,258 13.464,259 13.464,260 13.464,261 11.154,262 5.941,263 7.629,264 13.649,265 11.37,266 11.37,267 11.37,268 11.37,269 11.37,270 7.839,271 2.988,272 3.667,273 11.731,274 3.12,275 1.492,276 0.625,280 3.758,284 1,285 286,286 2.121,288 20.642,289 88.396,291 82.641,292 49.054,295 0.95,296 32.057,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 45,307 129,308 4.869,309 3.41,310 7.087,311 4.363,312 3.378,313 5.033,315 12.301,316 3.329,317 4.264,318 2.944,319 6.152,320 3.765,321 2.782,322 4.12,324 9.05,325 2.734,326 3.917,327 2.729,328 5.871,329 3.445,330 2.487,331 3.526,333 7.928,334 2.376,335 3.562,336 2.522,337 5.257,338 3.098,339 2.152,340 3,342 6.21,343 2.027,344 3.477,345 2.287,346 4.968,347 3.023,348 2.068,349 2.877,351 5.825,352 1.965,353 3.345,354 1.915,355 4.942,356 2.845,357 1.872,358 2.722,360 5.696,361 1.804,362 2.848,363 1.398,364 4.418,365 2.344,366 1.357,367 2.018,369 3.954,370 1.339,371 2.508,372 1.176,373 3.944,374 2.024,375 1.06,376 1.511,378 2.843,379 1.016,380 2.077,381 0.706,382 3.448,383 1.56,384 0.6,385 0.879,386 1.566,387 0.573,388 1.476,389 0.405,390 2.862,391 1.047,392 0.105,393 0.137,394 0.252,395 0.097,396 1.144,397 0.181,398 2.708,399 0.668,400 -0.257,401 -0.341,402 -0.673,403 -0.23,404 0.717,405 -0.28,406 2.406,407 0.263,408 -0.658,409 -0.812,411 -1.638,412 -0.595,413 0.673,414 -0.627,415 2.343,416 0.226,417 -0.746,418 -1.064,420 -2.25,421 -0.711,422 0.571,423 -0.778,424 2.27,425 0.098,426 -0.861,427 -1.233,429 -2.571,430 -0.824,431 0.292,432 -1.021,433 1.922,434 -0.172,435 -1.129,436 -1.609,438 -3.238,439 -1.083,440 9.186,441 0.459,442 0.627,443 0.031,444 30.25,445 1.513,446 17,447 0.85,448 13.25,449 0.663,450 11.634,451 0.582,452 20.214,453 0.722,454 20.809,455 1.04,456 6.084,457 0.304,458 3.547,459 0.177,460 0.104,462 0.49,464 1,466 0.817,467 0.769,468 0.621,469 0.747,470 0.797,471 0.648,472 0.621,473 0.972,474 0.577,475 0.962,476 0.536,477 0.831,478 1.026,479 0.913,480 0.959,481 0.888,482 0.951,483 0.887,484 0.979,485 0.935,486 0.959,487 0.994,488 0.882,489 0.967,490 0.796,491 1.023,492 0.862,493 1.174,494 0.839,495 1.105,496 1.38,497 1.144,498 1.275,499 1.217,500 1.304,501 1.214,502 0.982,503 1.174,504 1.303,505 1.095,506 1.138,507 1.261,508 1.524,509 1.24,510 1.597,511 0.959,512 1.824,513 1.178,514 4.5,516 2.444,517 1.729,518 1.822,519 0.705,520 0.512,521 0.153,522 0.041,524 3387,525 12119,526 2.163,527 28.6,529 6,532 2,536 1.627,537 2,538 2.755,539 0.361,541 1,543 1,545 47.248,546 1.687,547 3.315,548 4.182,549 4.807,550 4.807,551 4.807,552 2.133,553 4.222,554 4.297,555 2.819,556 535.69,557 7.385,558 5199.32,560 1,561 1,562 1,563 134.606,564 1.458,565 4.245,566 0.196,568 0.07,569 0.048,570 0.057,571 0.025,572 0.024,573 0.014,574 0.01,576 0.444,577 0.67,578 1,579 0.627,580 84.733,581 -0.134,582 0.038,583 -0.037,584 0.128,585 -0.165,586 0.108,587 0.055,588 -0.122,589 0.036,590 -0.09,591 0.053,592 -0.058,593 -0.122,594 0.044,595 -0.127,596 0.036,597 -0.118,598 -0.017,599 -0.149,600 -0.059,601 -0.059,602 -0.06,603 -0.114,604 -0.023,605 0.086,606 -0.127,607 0.039,608 -0.238,609 0.051,610 -0.174,611 -0.234,612 -0.254,613 -0.233,614 -0.254,615 -0.194,616 -0.259,617 0.326,618 0.019,619 0.041,620 -0.022,621 0.303,622 -0.092,623 0.014,624 0.168,625 -0.025,626 0.21,627 0.047,628 0.13,629 2.055,630 5.459,631 0.85,632 11.24,633 1.04,634 1.112,635 2.304,636 5.31,637 0.727,638 3.178,639 3.584,640 3.932,641 4.317,642 4.673,643 4.828,644 4.997,645 5.17,646 5.176,647 5.142,648 4.136,649 0.738,650 269.24,651 3.178,652 4.762,653 5.659,654 6.592,655 7.516,656 8.454,657 9.389,658 10.329,659 11.268,660 12.209,661 3.6,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 2,698 1,699 28,700 20,701 2,702 23,704 31,705 15,706 15,707 6,708 6,710 4,711 10,721 15,733 1,734 1,736 8,737 5,738 2,739 5,743 1,747 0.25,748 3,756 1,759 1,760 3,762 2,763 1,777 1,783 1,785 20,788 2,800 1,801 10.7,803 2,806 1,808 10,809 5.16,810 4.167,811 1.583,812 4.414,813 1.592,814 1.026,815 2.206,816 11.865,817 3.526,818 4.321,819 5.087,820 5.878,821 6.624,822 7.167,823 7.737,824 8.315,825 8.714,826 9.076,827 1,828 36,829 7.401,831 3.423,832 8.175,833 13.496,835 11.611,837 2.675,838 53.5,842 70.627,843 84.047,844 16.786,846 94.874,847 14.96,849 84.047,850 165.501,851 31.746,854 56.857,855 102.152,856 31.861,857 19.796,858 70.627,860 70.627,861 100.833,862 109.834,865 85.587,866 94.874,869 5.513,870 78.534,871 16.786,873 85.587,874 111.66,875 84.047,878 70.627,879 27.19,880 56.857,882 126.62,883 70.627,884 126.62,885 84.047,887 0.603,888 0.357,889 0.208,890 0.134,891 21,892 9,895 3,896 1.353,897 3.13,898 171.219,899 0.353,900 17,901 86.439,904 11.498,905 3.838,906 1.586,907 2.916,908 126.62,909 8.708,910 4.244,912 5.278,914 -0.652,916 85.367,917 281.293,918 33,926 29.131,927 31.127,928 0.351,929 0.69,930 0.87,931 1,932 1,933 1,934 4.779,935 1.06,936 5.687,937 3.954,938 4.263,939 5.007,941 6.586,942 4.205,943 6.067,944 0.6,945 7.296,946 2.843,947 4.007,948 5.094,950 7.621,951 3.904,952 7.434,953 0.105,954 9.003,955 1.566,956 5.938,957 7.473,959 10.796,960 5.843,961 8.84,962 -0.257,963 10.766,964 0.252,965 6.463,966 8.373,968 12.683,969 6.337,970 10.276,971 -0.658,972 12.567,973 -0.673,974 7.918,975 10.257,977 15.405,978 7.797,979 11.736,980 -0.746,981 14.396,982 -1.638,983 8.813,984 11.545,986 17.663,987 8.672,988 13.217,989 -0.861,990 16.246,991 -2.25,992 10.094,993 13.242,995 20.236,996 9.951,997 3.378,998 -1.129,999 18.115,1000 -2.571,1001 11.162,1002 14.712,1004 22.646,1005 11.005,1006 2.782,1007 12.301,1008 19.997,1009 -3.238,1010 12.384,1011 16.342,1013 25.171,1014 12.22,1015 2.487,1016 9.05,1017 21.892,1018 5.033,1019 13.531,1020 17.891,1022 27.64,1023 13.353,1024 2.152,1025 7.928,1026 23.797,1027 4.12,1028 14.737,1029 19.502,1031 30.152,1032 14.549,1033 2.068,1034 6.21,1035 25.71,1036 3.526,1037 15.918,1038 21.086,1040 32.645,1041 15.718,1042 1.872,1043 5.825,1044 27.63,1045 3,1046 17.123,1047 22.693,1049 35.154,1050 16.911,1051 1.357,1052 5.696,1053 29.556,1054 2.877,1055 18.321,1056 24.292,1058 37.656,1059 18.095,1060 3240,1061 6214,1062 15.433,1063 20.352,1064 35.986,1065 36.257,1066 37.391,1067 35.812,1068 35.72,1069 51.644,1071 111.251,1072 34.521,1073 5.369,1074 5.41,1075 6.391,1076 5.363,1077 5.378,1078 8.033,1080 19.828,1081 5.329,1082 9.098,1083 1.565,1084 1.576,1085 1.626,1086 1.557,1087 1.553,1088 2.245,1090 4.837,1091 1.501,1092 4.237,1093 4.246,1094 4.222,1095 4.16,1096 8.201,1097 4.173,1098 3.861,1099 3.878,1100 3.822,1101 3.777,1102 6.484,1103 3.784,1104 3.495,1105 3.509,1106 3.455,1107 3.352,1108 6.469,1109 3.371,1110 3.127,1111 3.131,1112 3.093,1113 2.91,1114 5.091,1115 2.943,1116 2.968,1117 3.015,1118 2.895,1119 2.814,1120 4.744,1121 2.833,1122 2.818,1123 2.839,1124 2.733,1125 2.625,1126 4.191,1127 2.62,1128 2.73,1129 2.783,1130 2.59,1131 2.568,1132 4.056,1133 2.592,1134 2.236,1135 2.29,1136 2.14,1137 1.916,1138 3.794,1139 1.955,1140 0.212,1141 0.148,1142 0.308,1143 0.19,1144 0.147,1145 4.869,1146 0.219,1147 3.41,1149 7.087,1150 0.535,1151 4.363,1152 0.145,1153 3.378,1154 5.033,1156 12.301,1157 3.329,1158 2.065,1159 2.062,1160 2.11,1161 2.152,1162 1.29,1163 2.135,1164 1.859,1165 1.838,1166 1.937,1167 1.966,1168 1.025,1169 1.957,1170 1.479,1171 1.463,1172 1.554,1173 1.643,1174 0.64,1175 1.613,1176 1.023,1177 1.003,1178 1.189,1179 1.227,1180 0.202,1181 1.21,1182 0.921,1183 0.893,1184 1.081,1185 1.153,1186 0.137,1187 1.11,1188 0.802,1189 0.748,1190 1.025,1191 1.035,1192 0.074,1193 1.034,1194 0.609,1195 0.587,1196 0.813,1197 0.891,1199 0.875,1200 0.361,1201 0.325,1202 0.642,1203 0.711,1205 0.697,1206 3.85,1208 5.231,1209 2.398,1210 6.815,1211 4.844,1212 8.498,1213 7.081,1214 10.238,1218 13.459,1221 19.548,1231 20.656,1232 47.248,1233 92.832,1234 117.096,1235 134.606,1236 134.606,1237 134.606,1238 33.846,1239 7.451,1240 66.49,1241 66.49,1242 23,1243 12.704,1244 4.392,1245 3.459,1246 25.884,1247 49,1248 47,1249 0.272,1250 121.644,1251 197.34,1252 288.571,1253 15447,1254 3.6,1255 13.853,1256 0.693,1257 0.505,1258 12.983,1259 10.092,1260 9.631,1261 0.419,1262 0.259,1263 5.869,1264 9.199,1265 5.801,1266 4.732,1267 9.237,1268 5.968,1269 9.374,1270 0.268,1271 0.131,1272 8.74,1273 4.585,1274 8.084,1275 0.162,1276 0.067,1277 7.742,1278 3.339,1279 7.227,1280 0.098,1281 0.034,1282 7.011,1283 2.492,1284 6.7,1285 0.063,1286 0.017,1287 6.388,1288 1.815,1289 0.395,1290 61.032,1291 0.255,1292 18.967,1293 0.855,1294 116,1295 427.791,1296 130.52,1297 385.404,1298 523.23,1299 358,1300 143,1301 391.484,1302 156.492,1303 387.176,1304 577.09,1305 366,1306 6.678} {0 CHEMBL1947113,1 1.809,2 7.304,3 4.189,4 17.546,5 73.514,6 10.298,7 0.769,8 3.641,9 3.695,10 3.438,11 3.205,12 5.011,13 3.269,14 4.147,15 4.214,16 3.968,17 3.612,18 6.055,19 3.682,20 4.322,21 4.419,22 3.962,23 3.713,24 5.814,25 3.769,26 4.405,27 4.544,28 3.893,29 3.654,30 5.868,31 3.715,32 4.242,33 4.362,34 3.801,35 3.51,36 5.765,37 3.577,38 4.215,39 4.334,40 3.757,41 3.319,42 5.888,43 3.426,44 3.997,45 4.159,46 3.413,47 3.007,48 5.621,49 3.093,50 3.864,51 4.012,52 3.381,53 2.493,54 6.01,55 2.717,56 0.345,57 0.634,58 2.409,59 2.863,60 55.378,61 2.022,62 0.945,63 1.406,64 4.723,65 4.773,66 148.58,67 3.51,68 0.773,69 1.164,70 7.004,71 5.739,72 91.043,73 4.691,74 1.052,75 1.29,76 11.434,77 6.465,78 149.736,79 5.161,80 0.845,81 1.095,82 8.129,83 5.497,84 121.167,85 4.606,86 0.896,87 1.076,88 8.236,89 4.898,90 112.97,91 3.728,92 0.745,93 0.894,94 8.589,95 4.47,96 110.584,97 4.174,98 1.207,99 0.8,100 9.734,101 3.729,102 168.119,103 2.854,104 27,105 41,106 0.331,107 0.633,108 0.776,109 0.879,110 0.879,111 0.879,112 3.191,113 0.761,114 -4.02,115 -3.97,116 -3.76,119 51.6,127 1,133 6,134 4,135 1,137 2,143 1,144 1,159 8,162 5,164 1,166 2,168 9,171 1,172 6,174 1,176 3,178 9,182 3,187 4,190 6,194 3,197 1,199 5,202 5,206 3,209 1,211 3,213 4,221 1,222 2,224 3,234 1,237 1,255 644,256 14.936,257 14.936,258 14.936,259 14.936,260 14.936,261 12.717,262 8.768,263 8.27,264 15.31,265 12.844,266 12.844,267 12.844,268 12.844,269 12.844,270 9.377,271 6.479,272 3.955,273 13.57,274 3.145,275 1.501,276 0.718,277 0.153,278 0.153,279 0.153,280 3.881,284 1,285 365,286 3.24,288 25.406,289 111.384,291 102.414,292 63.068,295 1.1,296 50.595,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 54,307 168,308 4.875,309 4.461,310 7.152,311 4.38,312 3.413,313 5.035,314 3.825,315 12.346,316 3.336,317 4.442,318 3.398,319 7.048,320 4.147,321 3.27,322 4.143,324 11.634,325 2.887,326 4.185,327 2.805,328 6.137,329 3.711,330 2.737,331 3.673,333 8.993,334 2.626,335 3.853,336 2.633,337 5.861,338 3.394,339 2.436,340 3.347,342 7.876,343 2.316,344 3.477,345 2.287,346 5.247,347 3.023,348 2.069,349 2.888,351 6.133,352 1.965,353 3.42,354 2.048,355 4.958,356 2.926,357 1.943,358 2.833,360 5.796,361 1.903,362 2.988,363 1.821,364 4.648,365 2.526,366 1.606,367 2.15,369 4.834,370 1.441,371 2.826,372 1.377,373 4.397,374 2.33,375 1.342,376 1.975,378 3.872,379 1.32,380 2.494,381 1.158,382 3.944,383 2.011,384 1.045,385 1.491,386 2.83,387 1.004,388 2.035,389 0.612,390 3.449,391 1.521,392 0.557,393 0.817,394 1.511,395 0.535,396 1.474,397 0.51,398 2.92,399 1.045,400 0.102,401 0.133,402 0.246,403 0.095,404 1.036,405 0.51,406 2.838,407 0.551,408 -0.423,409 -0.595,411 -1.253,412 -0.409,413 0.706,414 0.373,415 2.625,416 0.263,417 -0.658,418 -0.816,420 -1.645,421 -0.596,422 0.632,423 -0.206,424 2.37,425 0.192,426 -0.795,427 -1,429 -2.474,430 -0.7,431 0.545,432 -0.346,433 2.337,434 0.058,435 -0.922,436 -1,438 -2.824,439 -0.7,440 10.257,441 0.446,442 0.916,443 0.04,444 32.25,445 1.402,446 17,447 0.739,448 15.25,449 0.663,450 15.374,451 0.668,452 24.543,453 0.792,454 25.763,455 1.12,456 6.559,457 0.285,458 4.283,459 0.186,460 0.149,461 0.049,462 0.439,463 3,466 0.727,467 0.749,468 0.572,469 0.794,470 0.741,471 0.675,472 0.448,473 0.648,474 0.495,475 0.864,476 0.386,477 0.81,478 0.726,479 0.797,480 0.778,481 0.975,482 0.596,483 0.97,484 1.078,485 0.924,486 1.122,487 0.957,488 1.013,489 0.996,490 0.908,491 0.989,492 0.949,493 1.122,494 0.92,495 1.101,496 1.071,497 0.941,498 1.064,499 1.135,500 1.034,501 1.143,502 1.049,503 1.278,504 1.038,505 1.307,506 1.061,507 1.257,508 1.33,509 1.534,510 1.219,511 1.037,512 1.604,513 1.027,514 6.5,516 3.333,517 2.104,518 2.022,519 1.066,520 0.842,521 0.425,522 0.246,523 0.047,524 4848,525 21092,526 2.078,527 25.8,529 6,532 2,536 1.665,537 1.878,538 2.909,539 0.364,541 1,545 56.07,546 1.809,547 3.453,548 4.236,549 4.801,550 4.801,551 4.801,552 2.248,553 4.143,554 4.497,555 3.027,556 765.799,557 7.784,558 8235.92,560 1,561 1,562 1,563 153.58,564 1.735,565 4.416,566 0.25,568 0.081,569 0.05,570 0.053,571 0.031,572 0.028,573 0.021,574 0.015,575 0.008,576 0.539,577 0.5,578 1,579 0.872,580 103.581,581 -0.106,582 0.018,583 -0.047,584 0.109,585 -0.16,586 0.105,587 0.351,588 0.325,589 0.124,590 0.065,591 0.389,592 -0.035,593 -0.05,594 -0.074,595 -0.037,596 -0.07,597 -0.001,598 -0.065,599 -0.22,600 -0.028,601 -0.177,602 -0.001,603 -0.176,604 -0.001,605 -0.088,606 -0.142,607 -0.057,608 -0.177,609 -0.105,610 -0.13,611 -0.11,612 -0.089,613 -0.097,614 -0.212,615 -0.119,616 -0.211,617 -0.071,618 -0.383,619 0.146,620 -0.318,621 -0.057,622 -0.124,623 0.338,624 -0.101,625 0.221,626 0.046,627 0.156,628 0.017,629 5.739,630 4.951,631 0.739,632 14.957,633 1.066,634 1.136,635 2.791,636 7.789,637 0.709,638 3.296,639 3.738,640 4.043,641 4.394,642 4.754,643 4.963,644 5.165,645 5.357,646 5.429,647 5.429,648 4.703,649 0.74,650 319.25,651 3.296,652 4.905,653 5.796,654 6.737,655 7.656,656 8.599,657 9.529,658 10.474,659 11.41,660 12.355,661 3.2,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 2,699 31,700 20,701 2,702 26,704 34,705 16,706 15,707 6,708 6,710 4,711 10,715 1,718 1,721 15,722 1,733 1,734 3,736 8,737 7,738 2,739 7,743 1,747 0.25,748 3,756 1,759 1,760 3,762 2,763 1,777 1,783 3,785 23,788 2,795 1,800 3,801 9.7,803 2,806 1,808 12.25,809 5.695,810 4.667,811 1.717,812 4.408,813 1.569,814 1.015,815 2.785,816 12.149,817 3.611,818 4.398,819 5.141,820 5.915,821 6.663,822 7.235,823 7.823,824 8.408,825 8.84,826 9.226,827 0.8,828 42,829 8.988,831 4.596,832 8.576,833 15.097,835 12.978,837 3.076,838 70.75,842 70.627,843 85.871,844 16.786,846 94.874,847 44.88,849 85.871,850 165.501,851 61.666,854 56.857,855 102.152,856 70.806,857 4.836,858 70.627,859 7.76,860 70.627,861 102.657,862 139.754,865 70.627,866 139.754,869 13.273,870 72.598,871 16.786,873 115.507,874 111.66,875 85.871,878 78.386,879 21.254,880 56.857,882 156.54,883 70.627,884 156.54,885 85.871,887 0.617,888 0.351,889 0.188,890 0.118,891 24,892 11,895 3,896 1.353,897 3.308,898 206.83,899 0.353,900 17,901 99.287,904 14.158,905 4.525,906 2.099,907 1.503,908 156.54,909 7.303,910 4.125,912 5.217,914 -1.364,916 85.367,917 313.038,918 36,926 33.04,927 35.222,928 0.365,929 0.697,930 0.855,931 0.969,932 0.969,933 0.969,934 4.898,935 1.342,936 5.872,937 4.834,938 4.419,939 5.085,940 3.037,941 6.808,942 4.322,943 6.204,944 1.045,945 7.518,946 3.872,947 4.369,948 5.231,949 3.903,950 8.063,951 4.132,952 7.586,953 0.557,954 9.269,955 2.83,956 6.188,957 7.539,958 5.42,959 11.141,960 5.992,961 9.006,962 0.102,963 11.079,964 1.511,965 6.878,966 8.461,967 6.69,968 13.157,969 6.55,970 10.453,971 -0.423,972 12.926,973 0.246,974 8.281,975 10.314,976 8.058,977 15.832,978 7.969,979 11.922,980 -0.658,981 14.799,982 -1.253,983 9.275,984 11.604,985 9.388,986 18.14,987 8.867,988 13.408,989 -0.795,990 16.691,991 -1.645,992 10.54,993 13.286,994 10.734,995 20.689,996 10.123,997 3.413,998 -0.922,999 18.596,1000 -2.474,1001 11.66,1002 14.751,1003 12.074,1004 23.11,1005 11.177,1006 3.27,1007 12.346,1008 20.512,1009 -2.824,1010 12.88,1011 16.374,1012 13.416,1013 25.619,1014 12.377,1015 2.737,1016 11.634,1017 22.436,1018 5.035,1019 14.051,1020 17.918,1021 14.758,1022 28.084,1023 13.503,1024 2.436,1025 8.993,1026 24.367,1027 4.143,1028 15.26,1029 19.525,1030 16.1,1031 30.581,1032 14.688,1033 2.069,1034 7.876,1035 26.304,1036 3.673,1037 16.453,1038 21.105,1039 17.441,1040 33.064,1041 15.848,1042 1.943,1043 6.133,1044 28.244,1045 3.347,1046 17.661,1047 22.71,1048 18.783,1049 35.559,1050 17.032,1051 1.606,1052 5.796,1053 30.189,1054 2.888,1055 18.863,1056 24.306,1057 20.124,1058 38.05,1059 18.208,1060 4710,1061 9925,1062 16.819,1063 21.989,1064 41.676,1065 41.056,1066 42.605,1067 41.298,1068 41.039,1069 56.972,1070 7.651,1071 132.143,1072 38.856,1073 5.523,1074 6.461,1075 6.456,1076 5.388,1077 5.413,1078 8.035,1079 5.335,1080 19.874,1081 5.336,1082 13.027,1083 1.603,1084 1.579,1085 1.639,1086 1.588,1087 1.578,1088 2.191,1089 0.294,1090 5.082,1091 1.494,1092 4.24,1093 4.249,1094 4.226,1095 4.165,1096 8.513,1097 4.178,1098 3.879,1099 3.895,1100 3.846,1101 3.794,1102 7.999,1103 3.801,1104 3.56,1105 3.585,1106 3.55,1107 3.403,1108 7.999,1109 3.426,1110 3.288,1111 3.299,1112 3.284,1113 2.984,1114 6.484,1115 3.047,1116 3.05,1117 3.082,1118 2.976,1119 2.899,1120 6.469,1121 2.911,1122 2.883,1123 2.908,1124 2.828,1125 2.658,1126 5.097,1127 2.687,1128 2.735,1129 2.797,1130 2.616,1131 2.608,1132 4.761,1133 2.605,1134 2.686,1135 2.727,1136 2.581,1137 2.326,1138 4.22,1139 2.4,1140 0.187,1141 0.172,1142 0.275,1143 0.168,1144 0.131,1145 4.875,1146 0.194,1147 4.461,1148 0.147,1149 7.152,1150 0.475,1151 4.38,1152 0.128,1153 3.413,1154 5.035,1155 3.825,1156 12.346,1157 3.336,1158 2.069,1159 2.065,1160 2.114,1161 2.154,1162 1.3,1163 2.136,1164 1.88,1165 1.862,1166 1.955,1167 1.989,1168 1.063,1169 1.976,1170 1.479,1171 1.463,1172 1.554,1173 1.646,1174 0.643,1175 1.614,1176 1.156,1177 1.131,1178 1.206,1179 1.454,1180 0.283,1181 1.352,1182 0.991,1183 0.972,1184 1.159,1185 1.227,1186 0.175,1187 1.208,1188 0.809,1189 0.762,1190 1.063,1191 1.061,1192 0.126,1193 1.041,1194 0.676,1195 0.644,1196 0.845,1197 0.922,1199 0.92,1200 0.451,1201 0.41,1202 0.669,1203 0.876,1205 0.825,1206 3.97,1208 5.38,1209 2.398,1210 6.978,1211 4.844,1212 8.666,1213 7.081,1214 10.403,1218 38.853,1221 19.603,1228 -4.489,1231 22.95,1232 56.07,1233 107.051,1234 131.315,1235 148.825,1236 148.825,1237 148.825,1238 50.918,1239 7.741,1240 66.49,1241 66.49,1242 23,1243 12.849,1244 4.392,1245 3.459,1246 31.563,1247 64,1248 58,1249 0.251,1250 133.633,1251 226.78,1252 317.824,1253 21918,1254 9.7,1255 16.353,1256 0.711,1257 0.493,1258 13.853,1259 11.348,1260 10.842,1261 0.417,1262 0.254,1263 6.447,1264 10.232,1265 6.408,1266 5.193,1267 9.631,1268 6.596,1269 11.332,1270 0.276,1271 0.126,1272 9.374,1273 5.153,1274 9.047,1275 0.162,1276 0.066,1277 8.084,1278 3.704,1279 7.794,1280 0.097,1281 0.034,1282 7.227,1283 2.696,1284 7.077,1285 0.062,1286 0.017,1287 6.7,1288 1.971,1289 0.371,1290 69.684,1291 0.244,1292 21.59,1293 0.767,1294 134,1295 618.013,1296 161.706,1297 511.822,1298 671.91,1299 472,1300 164,1301 482.15,1302 185.058,1303 465.484,1304 712.42,1305 438,1306 5} {0 CHEMBL1947114,1 1.578,2 6.9,3 2.979,4 8.875,5 69.234,6 9.216,7 0.87,8 3.566,9 3.618,10 3.29,11 3.15,12 4.898,13 3.188,14 3.992,15 4.05,16 3.722,17 3.557,18 5.371,19 3.589,20 4.245,21 4.345,22 3.784,23 3.646,24 5.596,25 3.67,26 4.242,27 4.377,28 3.685,29 3.576,30 5.527,31 3.585,32 4.098,33 4.226,34 3.545,35 3.417,36 5.466,37 3.427,38 4.032,39 4.159,40 3.322,41 3.186,42 5.428,43 3.204,44 3.8,45 3.983,46 2.876,47 2.791,48 5.372,49 2.746,50 3.364,51 3.569,52 2.039,53 2.186,54 4.646,55 2.124,56 0.171,57 0.362,58 3.821,59 2.522,60 21.554,61 2.028,62 0.248,63 0.573,64 5.318,65 3.926,66 18.585,67 3.645,68 0.442,69 0.744,70 9.646,71 5.135,72 44.98,73 4.611,74 0.407,75 0.755,76 11.021,77 5.371,78 45.442,79 5.417,80 0.363,81 0.648,82 8.987,83 4.608,84 35.568,85 4.682,86 0.424,87 0.579,88 9.312,89 4.31,90 46.153,91 3.784,92 0.518,93 0.463,94 9.532,95 3.671,96 64.638,97 4.132,98 0.312,99 0.283,100 7.301,101 2.45,102 42.418,103 2.321,104 10,105 35,106 0.293,107 0.586,108 0.733,109 0.863,110 0.888,111 0.901,112 3.061,113 0.783,114 -2.62,115 -2.64,116 -2.57,119 51.7,133 6,134 3,135 2,137 2,143 1,144 1,159 6,162 5,164 1,166 4,168 8,171 1,172 5,174 1,176 4,178 8,182 3,185 1,187 5,190 5,194 3,197 1,199 6,202 4,206 2,209 1,211 3,213 3,220 1,221 2,222 3,224 2,234 1,246 1,247 1,255 422,256 13.464,257 13.464,258 13.464,259 13.464,260 13.464,261 11.154,262 6.47,263 7.627,264 13.627,265 11.37,266 11.37,267 11.37,268 11.37,269 11.37,270 7.839,271 3.488,272 3.663,273 11.687,274 3.28,275 1.699,276 0.906,277 0.207,278 0.069,280 3.758,284 1,285 307,286 2.121,288 20.665,289 88.904,291 82.735,292 49.457,295 1.02,296 28.396,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 44.5,307 138,308 4.867,309 3.403,310 7.085,311 4.362,312 3.376,313 5.031,315 12.292,316 3.328,317 4.268,318 2.854,319 6.153,320 3.77,321 2.786,322 4.124,324 9.057,325 2.741,326 3.913,327 2.675,328 5.868,329 3.445,330 2.483,331 3.522,333 7.91,334 2.381,335 3.611,336 2.414,337 5.315,338 3.156,339 2.193,340 3.077,342 6.493,343 2.106,344 3.474,345 2.277,346 4.96,347 3.021,348 2.066,349 2.861,351 5.796,352 1.963,353 3.238,354 1.822,355 4.866,356 2.745,357 1.77,358 2.572,360 5.319,361 1.719,362 2.931,363 1.5,364 4.444,365 2.427,366 1.45,367 2.136,369 4.137,370 1.414,371 2.506,372 1.139,373 3.942,374 2.023,375 1.049,376 1.509,378 2.823,379 1.018,380 2.057,381 0.645,382 3.458,383 1.545,384 0.581,385 0.85,386 1.546,387 0.558,388 1.491,389 0.397,390 2.861,391 1.063,392 0.12,393 0.158,394 0.289,395 0.112,396 1.008,397 -0.051,398 2.696,399 0.569,400 -0.367,401 -0.471,402 -0.924,403 -0.337,404 0.928,405 -0.273,406 2.42,407 0.428,408 -0.549,409 -0.793,411 -1.63,412 -0.534,413 0.632,414 -0.545,415 2.344,416 0.245,417 -0.667,418 -0.837,420 -1.715,421 -0.6,422 0.55,423 -0.861,424 2.265,425 0.056,426 -0.93,427 -1.354,429 -2.844,430 -0.915,431 0.242,432 -1.018,433 1.922,434 -0.233,435 -1.201,436 -1.616,438 -3.222,439 -1.133,440 9.233,441 0.462,442 0.627,443 0.031,444 30.75,445 1.538,446 17.5,447 0.875,448 13.25,449 0.663,450 11.406,451 0.57,452 20.167,453 0.695,454 20.963,455 1.048,456 6.12,457 0.306,458 3.511,459 0.176,460 0.108,462 0.487,466 1.015,467 0.837,468 0.7,469 0.714,470 1.064,471 0.629,472 0.623,473 1.106,474 0.589,475 0.973,476 0.525,477 0.827,478 1.013,479 0.962,480 0.936,481 0.921,482 0.93,483 0.909,484 0.919,485 1.03,486 0.915,487 1,488 0.833,489 0.966,490 0.818,491 1.134,492 0.924,493 1.148,494 0.825,495 1.086,496 1.382,497 1.17,498 1.313,499 1.239,500 1.342,501 1.253,502 0.775,503 0.975,504 1.194,505 1.123,506 0.838,507 1.252,508 1.828,509 0.827,510 1.699,511 0.944,512 2.142,513 1.192,514 4.5,516 2.444,517 1.854,518 1.822,519 0.705,520 0.54,521 0.168,522 0.082,523 0.016,524 3421,525 11489,526 2.163,527 31,529 6,532 3,536 1.626,537 2,538 2.805,539 1.103,541 1,542 1,543 1,545 45.749,546 1.578,547 3.159,548 3.952,549 4.651,550 4.789,551 4.858,552 2.253,553 4.322,554 4.295,555 2.872,556 545.714,557 7.378,558 5245.75,559 1,560 1,561 1,562 1,563 140.881,564 1.458,565 4.245,566 0.196,568 0.07,569 0.052,570 0.057,571 0.026,572 0.027,573 0.015,574 0.021,575 0.008,576 0.471,577 0.67,578 1,579 0.627,580 84.911,581 -0.203,582 0.123,583 -0.057,584 0.193,585 -0.263,586 0.142,587 0.078,588 -0.138,589 0.049,590 -0.076,591 0.072,592 -0.04,593 -0.1,594 0.028,595 -0.11,596 0.005,597 -0.111,598 -0.044,599 -0.069,600 -0.044,601 0.011,602 -0.047,603 -0.049,604 -0.005,605 0.035,606 -0.154,607 -0.008,608 -0.202,609 0.033,610 -0.136,611 -0.219,612 -0.221,613 -0.292,614 -0.277,615 -0.202,616 -0.305,617 0.365,618 -0.027,619 0.044,620 -0.097,621 0.409,622 -0.123,623 -0.428,624 0.078,625 -0.3,626 0.131,627 -0.501,628 0.006,629 1.95,630 3.955,631 0.85,632 11.61,633 1.033,634 1.103,635 1.391,636 1.935,637 0.72,638 3.178,639 3.584,640 3.932,641 4.317,642 4.663,643 4.828,644 5.004,645 5.17,646 5.182,647 5.147,648 4.2,649 0.724,650 267.25,651 3.178,652 4.762,653 5.659,654 6.592,655 7.515,656 8.453,657 9.387,658 10.327,659 11.265,660 12.207,661 3.4,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 3,699 29,700 20,701 2,702 23,704 32,705 15,706 15,707 6,708 6,710 4,711 10,721 15,733 1,736 9,737 5,738 3,739 5,743 1,747 0.25,748 4,756 1,759 1,760 3,762 2,763 1,777 1,785 20,788 3,801 13.8,803 3,806 1,808 10,809 5.217,810 4.167,811 1.597,812 4.415,813 1.592,814 0.985,815 2.218,816 11.866,817 3.526,818 4.321,819 5.087,820 5.878,821 6.617,822 7.167,823 7.742,824 8.316,825 8.717,826 9.079,827 0.8,828 36,829 7.368,831 3.375,832 8.075,833 13.551,835 11.653,837 2.575,838 51.5,842 70.627,843 74.926,844 16.786,846 137.557,849 74.926,850 208.184,851 16.786,854 56.857,855 144.836,856 22.74,857 4.836,858 70.627,860 70.627,861 91.712,862 137.557,865 70.627,866 137.557,869 5.513,870 69.413,871 16.786,873 70.627,874 154.343,875 74.926,878 70.627,879 18.069,880 56.857,882 154.343,883 70.627,884 154.343,885 74.926,887 0.603,888 0.357,889 0.208,890 0.131,891 21,892 9,895 3,896 1.353,897 3.138,898 170.86,899 0.353,900 17,901 86.439,904 11.522,905 3.85,906 1.593,907 3.445,908 154.343,909 9.435,910 4.27,912 5.309,914 -0.078,916 128.05,917 299.896,918 33,926 29.945,927 31.997,928 0.325,929 0.65,930 0.814,931 0.957,932 0.986,933 1,934 4.779,935 1.049,936 5.687,937 4.137,938 4.263,939 5.007,941 6.586,942 4.211,943 6.067,944 0.581,945 7.296,946 2.823,947 4.007,948 5.094,950 7.621,951 3.916,952 7.434,953 0.12,954 9.003,955 1.546,956 5.938,957 7.473,959 10.795,960 5.851,961 8.84,962 -0.367,963 10.766,964 0.289,965 6.463,966 8.373,968 12.682,969 6.347,970 10.276,971 -0.549,972 12.567,973 -0.924,974 7.918,975 10.257,977 15.403,978 7.805,979 11.736,980 -0.667,981 14.396,982 -1.63,983 8.813,984 11.545,986 17.66,987 8.68,988 13.217,989 -0.93,990 16.246,991 -1.715,992 10.094,993 13.242,995 20.231,996 9.957,997 3.376,998 -1.201,999 18.114,1000 -2.844,1001 11.161,1002 14.711,1004 22.64,1005 11.01,1006 2.786,1007 12.292,1008 19.997,1009 -3.222,1010 12.383,1011 16.342,1013 25.164,1014 12.224,1015 2.483,1016 9.057,1017 21.891,1018 5.031,1019 13.529,1020 17.89,1022 27.633,1023 13.356,1024 2.193,1025 7.91,1026 23.795,1027 4.124,1028 14.734,1029 19.501,1031 30.144,1032 14.551,1033 2.066,1034 6.493,1035 25.708,1036 3.522,1037 15.915,1038 21.083,1040 32.636,1041 15.718,1042 1.77,1043 5.796,1044 27.628,1045 3.077,1046 17.119,1047 22.69,1049 35.143,1050 16.911,1051 1.45,1052 5.319,1053 29.554,1054 2.861,1055 18.317,1056 24.289,1058 37.645,1059 18.094,1060 3271,1061 6081,1062 15.433,1063 20.869,1064 36.016,1065 36.007,1066 37.4,1067 35.81,1068 35.749,1069 51.682,1071 111.323,1072 34.682,1073 5.367,1074 5.403,1075 6.389,1076 5.362,1077 5.376,1078 8.031,1080 19.819,1081 5.328,1082 9.159,1083 1.566,1084 1.566,1085 1.626,1086 1.557,1087 1.554,1088 2.247,1090 4.84,1091 1.508,1092 4.236,1093 4.244,1094 4.221,1095 4.16,1096 6.485,1097 4.173,1098 3.859,1099 3.874,1100 3.817,1101 3.776,1102 6.47,1103 3.783,1104 3.495,1105 3.505,1106 3.447,1107 3.353,1108 6.468,1109 3.371,1110 3.138,1111 3.134,1112 3.091,1113 2.912,1114 5.087,1115 2.95,1116 2.959,1117 3.006,1118 2.878,1119 2.816,1120 4.733,1121 2.824,1122 2.818,1123 2.852,1124 2.706,1125 2.634,1126 4.205,1127 2.637,1128 2.764,1129 2.795,1130 2.644,1131 2.569,1132 4.065,1133 2.59,1134 2.335,1135 2.384,1136 2.176,1137 1.951,1138 3.783,1139 2.004,1140 0.212,1141 0.148,1142 0.308,1143 0.19,1144 0.147,1145 4.867,1146 0.219,1147 3.403,1149 7.085,1150 0.534,1151 4.362,1152 0.145,1153 3.376,1154 5.031,1156 12.292,1157 3.328,1158 2.065,1159 2.062,1160 2.112,1161 2.152,1162 1.291,1163 2.135,1164 1.858,1165 1.84,1166 1.938,1167 1.966,1168 1.026,1169 1.957,1170 1.479,1171 1.462,1172 1.552,1173 1.643,1174 0.635,1175 1.613,1176 1.027,1177 1.013,1178 1.184,1179 1.243,1180 0.222,1181 1.216,1182 0.94,1183 0.908,1184 1.135,1185 1.178,1186 0.16,1187 1.145,1188 0.804,1189 0.759,1190 1.024,1191 1.041,1192 0.041,1193 1.049,1194 0.618,1195 0.598,1196 0.828,1197 0.954,1199 0.904,1200 0.37,1201 0.338,1202 0.656,1203 0.71,1205 0.712,1206 3.85,1208 5.231,1209 2.398,1210 6.815,1211 4.844,1212 8.498,1213 7.081,1214 10.238,1221 29.119,1231 20.988,1232 45.749,1233 91.597,1234 114.617,1235 134.881,1236 138.881,1237 140.881,1238 30.783,1239 7.451,1240 86.72,1241 86.72,1242 23,1243 12.702,1244 4.392,1245 3.459,1246 25.921,1247 50,1248 53,1249 0.269,1250 124.442,1251 200.06,1252 295.399,1253 15447,1255 13.853,1256 0.693,1257 0.508,1258 13.853,1259 10.161,1260 9.631,1261 0.419,1262 0.261,1263 5.914,1264 9.246,1265 5.834,1266 4.771,1267 9.631,1268 6.002,1269 9.374,1270 0.268,1271 0.132,1272 9.374,1273 4.625,1274 8.077,1275 0.162,1276 0.067,1277 8.077,1278 3.361,1279 7.275,1280 0.098,1281 0.034,1282 7.275,1283 2.51,1284 6.613,1285 0.063,1286 0.017,1287 6.613,1288 1.82,1289 0.392,1290 60.743,1291 0.255,1292 19.02,1293 0.839,1294 116,1295 373.83,1296 128.793,1297 359.658,1298 495.55,1299 334,1300 143,1301 377.181,1302 155.243,1303 378.84,1304 563.92,1305 358,1306 5.367} {0 CHEMBL1947115,1 1.509,2 6.9,3 3.733,4 13.933,5 72.581,6 8.557,7 0.87,8 3.6,9 3.669,10 3.283,11 3.212,12 4.847,13 3.224,14 4.061,15 4.156,16 3.711,17 3.62,18 5.325,19 3.625,20 4.28,21 4.394,22 3.775,23 3.722,24 5.54,25 3.714,26 4.329,27 4.495,28 3.675,29 3.662,30 5.481,31 3.637,32 4.18,33 4.337,34 3.536,35 3.499,36 5.457,37 3.478,38 4.086,39 4.226,40 3.31,41 3.288,42 5.399,43 3.268,44 3.849,45 4.053,46 2.806,47 2.966,48 5.132,49 2.869,50 3.594,51 3.812,52 2.048,53 2.535,54 4.681,55 2.388,56 0.086,57 0.383,58 4.783,59 2.758,60 11.754,61 2.729,62 0.18,63 0.626,64 8.214,65 4.516,66 16.312,67 4.999,68 0.282,69 0.786,70 11.334,71 5.573,72 27.939,73 5.883,74 0.237,75 0.84,76 14.081,77 6.23,78 27.844,79 7.161,80 0.283,81 0.73,82 11.733,83 5.111,84 29.013,85 5.758,86 0.304,87 0.622,88 10.981,89 4.7,90 35.413,91 4.635,92 0.275,93 0.505,94 10.07,95 4.053,96 38.377,97 4.832,98 0.283,99 0.37,100 9.005,101 3.179,102 36.62,103 3.244,104 10,105 35,106 0.276,107 0.633,108 0.776,109 0.879,110 0.879,111 0.879,112 3.061,113 0.819,114 -3.39,115 -3.37,116 -3.23,119 51.6,120 1,133 6,134 4,135 1,137 2,143 1,144 1,159 9,162 5,164 1,166 2,168 11,171 1,172 6,174 1,176 3,178 10,182 4,187 4,190 7,194 3,197 1,199 5,202 6,206 3,209 1,211 3,213 5,217 1,221 1,222 3,224 4,234 1,237 2,247 1,250 1,255 422,256 13.464,257 13.464,258 13.464,259 13.464,260 13.464,261 11.154,262 6.739,263 7.627,264 13.587,265 11.37,266 11.37,267 11.37,268 11.37,269 11.37,270 7.839,271 3.796,272 3.663,273 11.608,274 3.445,275 1.501,276 0.718,277 0.153,278 0.153,279 0.153,280 3.758,283 1,284 1,285 307,286 2.121,288 20.665,289 88.904,291 82.735,292 49.457,295 1.02,296 22.014,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 43.5,307 138,308 4.867,309 3.403,310 7.085,311 4.362,312 3.376,313 5.031,315 12.292,316 3.329,317 4.268,318 2.843,319 6.153,320 3.774,321 2.786,322 4.124,324 9.057,325 2.753,326 3.913,327 2.666,328 5.868,329 3.451,330 2.483,331 3.522,333 7.91,334 2.402,335 3.611,336 2.377,337 5.315,338 3.182,339 2.193,340 3.077,342 6.493,343 2.164,344 3.474,345 2.273,346 4.96,347 3.021,348 2.066,349 2.861,351 5.796,352 1.963,353 3.238,354 1.812,355 4.866,356 2.758,357 1.77,358 2.572,360 5.319,361 1.747,362 2.931,363 1.498,364 4.444,365 2.428,366 1.45,367 2.136,369 4.137,370 1.416,371 2.506,372 1.138,373 3.942,374 2.024,375 1.049,376 1.509,378 2.823,379 1.019,380 2.057,381 0.636,382 3.458,383 1.551,384 0.581,385 0.85,386 1.546,387 0.562,388 1.491,389 0.394,390 2.861,391 1.066,392 0.12,393 0.158,394 0.289,395 0.112,396 1.008,397 -0.112,398 2.696,399 0.622,400 -0.367,401 -0.471,402 -0.924,403 -0.362,404 0.928,405 -0.275,406 2.42,407 0.433,408 -0.549,409 -0.793,411 -1.63,412 -0.536,413 0.632,414 -0.546,415 2.344,416 0.246,417 -0.667,418 -0.837,420 -1.715,421 -0.6,422 0.55,423 -0.868,424 2.265,425 0.062,426 -0.93,427 -1.354,429 -2.844,430 -0.922,431 0.242,432 -1.018,433 1.922,434 -0.233,435 -1.201,436 -1.616,438 -3.222,439 -1.139,440 9.4,441 0.47,442 0.627,443 0.031,444 30,445 1.5,446 17,447 0.85,448 13,449 0.65,450 12.382,451 0.619,452 20,453 0.645,454 19.987,455 0.999,456 5.921,457 0.296,458 3.71,459 0.186,460 0.124,462 0.479,466 0.947,467 0.899,468 0.701,469 0.794,470 1.015,471 0.714,472 0.582,473 1.012,474 0.584,475 0.882,476 0.484,477 0.766,478 0.944,479 1.018,480 0.92,481 0.985,482 0.851,483 0.958,484 0.926,485 1.068,486 0.876,487 1.001,488 0.826,489 0.939,490 0.883,491 1.041,492 0.952,493 1.041,494 0.893,495 1.003,496 1.511,497 1.159,498 1.32,499 1.218,500 1.53,501 1.228,502 0.925,503 1.055,504 1.23,505 1.188,506 0.917,507 1.258,508 1.928,509 0.848,510 1.776,511 0.983,512 2.124,513 1.278,514 4.5,516 2.444,517 1.854,518 1.822,519 0.705,520 0.54,521 0.168,522 0.082,523 0.016,524 3421,525 9829,526 2.163,527 35.5,528 3,529 6,532 2,536 1.626,537 2,538 2.805,539 0.311,541 1,543 1,545 46.771,546 1.509,547 3.453,548 4.236,549 4.801,550 4.801,551 4.801,552 2.253,553 4.322,554 4.295,555 2.872,556 545.714,557 7.378,558 5245.75,559 1,560 1,561 1,562 1,563 153.58,564 1.458,565 4.245,566 0.196,568 0.07,569 0.052,570 0.057,571 0.026,572 0.027,573 0.015,574 0.021,575 0.008,576 0.471,577 0.67,578 1,579 0.627,580 84.911,581 -0.135,582 0.061,583 -0.003,584 0.115,585 -0.216,586 0.092,587 0.151,588 -0.041,589 0.166,590 0.037,591 0.124,592 0.089,593 -0.01,594 -0.029,595 -0.09,596 -0.064,597 -0.048,598 -0.094,599 -0.061,600 -0.086,601 0.073,602 -0.041,603 -0.03,604 0.03,605 0.054,606 -0.025,607 -0.015,608 -0.102,609 0.071,610 -0.07,611 -0.19,612 -0.206,613 -0.327,614 -0.268,615 -0.176,616 -0.32,617 0.096,618 -0.11,619 -0.133,620 -0.184,621 0.225,622 -0.202,623 -0.46,624 0.062,625 -0.546,626 0.058,627 -0.529,628 -0.199,629 1.868,630 4.017,631 0.85,632 11.61,633 1.016,634 1.103,635 2.16,636 4.666,637 0.715,638 3.178,639 3.584,640 3.932,641 4.317,642 4.663,643 4.828,644 5.004,645 5.17,646 5.182,647 5.147,648 4.2,649 0.703,650 265.28,651 3.178,652 4.762,653 5.659,654 6.592,655 7.515,656 8.453,657 9.387,658 10.327,659 11.265,660 12.207,661 3.2,671 1,674 6,675 6,676 1,678 1,680 3,682 20,696 2,699 31,700 20,701 2,702 23,704 34,705 16,706 15,707 6,708 6,710 4,711 10,715 1,721 15,722 1,733 1,736 11,737 4,738 2,739 4,743 1,747 0.25,748 3,756 1,759 1,760 3,762 2,763 1,777 1,781 1,785 20,788 2,801 9.7,803 2,806 1,808 10,809 6.017,810 4.167,811 1.797,812 4.415,813 1.592,814 1.015,815 2.236,816 11.866,817 3.526,818 4.321,819 5.087,820 5.878,821 6.617,822 7.167,823 7.742,824 8.316,825 8.717,826 9.079,827 0.8,828 36,829 7.374,831 3.32,832 7.875,833 13.849,835 11.884,837 2.375,838 47.5,842 105.94,843 86.937,844 16.786,846 94.874,849 86.937,850 200.814,851 16.786,852 8.825,854 56.857,855 102.152,856 25.925,857 4.836,858 105.94,860 105.94,861 103.722,862 94.874,865 105.94,866 94.874,869 14.339,870 72.598,871 16.786,873 105.94,874 111.66,875 86.937,878 105.94,879 21.254,880 65.683,882 111.66,883 105.94,884 111.66,885 86.937,887 0.603,888 0.357,889 0.208,890 0.131,891 21,892 9,895 3,896 1.353,897 3.138,898 170.86,899 0.353,900 17,901 86.439,904 11.557,905 3.869,906 1.602,907 4.221,908 111.66,909 10.726,910 4.43,912 5.372,914 1.053,916 85.367,917 304.536,918 33,926 31.502,927 34.203,928 0.305,929 0.697,930 0.855,931 0.969,932 0.969,933 0.969,934 4.779,935 1.049,936 5.687,937 4.137,938 4.263,939 5.007,941 6.586,942 4.223,943 6.067,944 0.581,945 7.296,946 2.823,947 4.007,948 5.094,950 7.621,951 3.94,952 7.434,953 0.12,954 9.003,955 1.546,956 5.938,957 7.473,959 10.795,960 5.868,961 8.84,962 -0.367,963 10.766,964 0.289,965 6.463,966 8.373,968 12.682,969 6.37,970 10.276,971 -0.549,972 12.567,973 -0.924,974 7.918,975 10.257,977 15.403,978 7.823,979 11.736,980 -0.667,981 14.396,982 -1.63,983 8.813,984 11.545,986 17.66,987 8.699,988 13.217,989 -0.93,990 16.246,991 -1.715,992 10.094,993 13.242,995 20.231,996 9.974,997 3.376,998 -1.201,999 18.114,1000 -2.844,1001 11.161,1002 14.711,1004 22.64,1005 11.025,1006 2.786,1007 12.292,1008 19.997,1009 -3.222,1010 12.383,1011 16.342,1013 25.164,1014 12.238,1015 2.483,1016 9.057,1017 21.891,1018 5.031,1019 13.529,1020 17.89,1022 27.633,1023 13.369,1024 2.193,1025 7.91,1026 23.795,1027 4.124,1028 14.734,1029 19.501,1031 30.144,1032 14.563,1033 2.066,1034 6.493,1035 25.708,1036 3.522,1037 15.915,1038 21.083,1040 32.636,1041 15.729,1042 1.77,1043 5.796,1044 27.628,1045 3.077,1046 17.119,1047 22.69,1049 35.143,1050 16.921,1051 1.45,1052 5.319,1053 29.554,1054 2.861,1055 18.317,1056 24.289,1058 37.645,1059 18.104,1060 3271,1061 5653,1062 15.433,1063 22.176,1064 36.016,1065 35.993,1066 37.4,1067 35.758,1068 35.749,1069 51.682,1071 111.323,1072 34.934,1073 5.367,1074 5.403,1075 6.389,1076 5.362,1077 5.376,1078 8.031,1080 19.819,1081 5.329,1082 9.159,1083 1.566,1084 1.565,1085 1.626,1086 1.555,1087 1.554,1088 2.247,1090 4.84,1091 1.519,1092 4.238,1093 4.247,1094 4.222,1095 4.165,1096 6.484,1097 4.176,1098 3.871,1099 3.889,1100 3.823,1101 3.796,1102 6.469,1103 3.799,1104 3.524,1105 3.551,1106 3.462,1107 3.407,1108 5.102,1109 3.414,1110 3.217,1111 3.24,1112 3.131,1113 2.997,1114 4.775,1115 3.023,1116 2.976,1117 3.028,1118 2.883,1119 2.816,1120 4.296,1121 2.826,1122 2.898,1123 2.961,1124 2.741,1125 2.774,1126 4.144,1127 2.758,1128 2.795,1129 2.81,1130 2.683,1131 2.569,1132 3.852,1133 2.591,1134 2.561,1135 2.639,1136 2.344,1137 2.356,1138 3.653,1139 2.343,1140 0.212,1141 0.148,1142 0.308,1143 0.19,1144 0.147,1145 4.867,1146 0.219,1147 3.403,1149 7.085,1150 0.534,1151 4.362,1152 0.145,1153 3.376,1154 5.031,1156 12.292,1157 3.329,1158 2.069,1159 2.065,1160 2.12,1161 2.153,1162 1.301,1163 2.137,1164 1.89,1165 1.868,1166 1.989,1167 1.988,1168 1.093,1169 1.99,1170 1.482,1171 1.465,1172 1.58,1173 1.643,1174 0.698,1175 1.614,1176 1.237,1177 1.179,1178 1.496,1179 1.434,1180 0.539,1181 1.469,1182 0.953,1183 0.928,1184 1.164,1185 1.209,1186 0.213,1187 1.18,1188 0.902,1189 0.84,1190 1.134,1191 1.069,1192 0.158,1193 1.101,1194 0.669,1195 0.643,1196 0.903,1197 1.011,1199 0.964,1200 0.52,1201 0.461,1202 0.784,1203 0.72,1205 0.747,1206 3.85,1208 5.231,1209 2.398,1210 6.815,1211 4.844,1212 8.498,1213 7.081,1214 10.238,1216 1.993,1221 19.705,1231 21.8,1232 46.771,1233 107.051,1234 131.315,1235 148.825,1236 148.825,1237 148.825,1238 27.31,1239 7.451,1240 66.49,1241 66.49,1242 23,1243 12.702,1244 4.392,1245 3.459,1246 25.921,1247 50,1248 53,1249 0.269,1250 130.038,1251 208.57,1252 309.053,1253 15447,1255 13.853,1256 0.693,1257 0.536,1258 13.853,1259 10.714,1260 9.631,1261 0.419,1262 0.273,1263 6.206,1264 9.317,1265 6.045,1266 4.989,1267 9.631,1268 6.279,1269 9.374,1270 0.268,1271 0.141,1272 9.374,1273 4.944,1274 8.077,1275 0.162,1276 0.071,1277 8.077,1278 3.533,1279 7.275,1280 0.098,1281 0.036,1282 7.275,1283 2.632,1284 6.613,1285 0.063,1286 0.018,1287 6.613,1288 1.926,1289 0.392,1290 60.166,1291 0.255,1292 19.02,1293 0.839,1294 116,1295 341.68,1296 126.689,1297 332.168,1298 464.43,1299 310,1300 143,1301 358.15,1302 153.582,1303 362.384,1304 539.96,1305 342,1306 5.481} {0 CHEMBL1947116,1 1.471,2 10.741,3 4.749,4 22.548,5 99.14,6 8.509,7 0.839,8 3.892,9 3.96,10 3.574,11 3.505,12 5.13,13 3.515,14 4.359,15 4.45,16 3.976,17 3.905,18 5.597,19 3.909,20 4.572,21 4.688,22 4.062,23 4.036,24 5.794,25 4.022,26 4.627,27 4.772,28 3.976,29 4.03,30 5.771,31 3.989,32 4.612,33 4.793,34 3.879,35 3.944,36 5.771,37 3.885,38 4.531,39 4.714,40 3.743,41 3.757,42 5.725,43 3.72,44 4.276,45 4.455,46 3.47,47 3.543,48 5.488,49 3.49,50 4.09,51 4.243,52 3.341,53 3.405,54 5.27,55 3.357,56 0.094,57 0.502,58 6.457,59 3.742,60 12.368,61 3.771,62 0.255,63 0.818,64 11.524,65 6.095,66 21.47,67 6.447,68 0.345,69 1.034,70 15.589,71 7.644,72 33.437,73 8.147,74 0.268,75 1.111,76 17.404,77 8.419,78 28.16,79 9.438,80 0.317,81 1.117,82 19.138,83 8.685,84 35.184,85 10.725,86 0.397,87 1.027,88 18.985,89 7.71,90 46.731,91 8.741,92 0.36,93 0.791,94 14.39,95 5.96,96 46.02,97 6.782,98 0.241,99 0.623,100 11.098,101 5.055,102 27.614,103 5.589,104 11,105 46,106 0.25,107 0.569,108 0.708,109 0.843,110 0.865,111 0.865,112 3.341,113 0.819,114 -4.03,115 -3.98,116 -3.77,119 52.4,123 1,133 10,134 5,135 2,137 2,143 1,144 1,159 13,162 7,164 1,166 2,168 17,171 1,172 8,174 1,176 3,178 18,182 5,187 4,190 13,194 6,197 1,199 5,202 10,206 7,209 1,211 3,213 9,217 2,221 1,222 3,224 8,228 1,229 3,234 3,237 6,242 3,247 3,250 5,255 976,256 18.558,257 18.558,258 18.558,259 18.558,260 18.558,261 15.64,262 8.627,263 10.571,264 18.859,265 15.252,266 15.252,267 15.252,268 15.252,269 15.252,270 10.733,271 6.977,272 4.969,273 15.681,274 3.922,275 2.046,276 1.226,277 0.435,278 0.304,279 0.304,280 4.055,284 1,285 653,286 2.55,288 32.901,289 213.495,291 130.254,292 84.47,295 1.77,296 26.805,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 58.5,307 290,308 4.869,309 3.404,310 7.086,311 4.365,312 3.379,313 5.033,314 0.86,315 12.296,316 3.333,317 4.332,318 2.955,319 6.242,320 3.905,321 2.911,322 4.158,324 9.395,325 2.895,326 4.13,327 2.808,328 6.054,329 3.672,330 2.689,331 3.796,333 8.718,334 2.645,335 3.879,336 2.687,337 5.845,338 3.418,339 2.459,340 3.468,342 7.823,343 2.352,344 3.702,345 2.531,346 5.311,347 3.29,348 2.335,349 3.145,351 6.781,352 2.221,353 3.475,354 2.284,355 5.221,356 3.022,357 2.068,358 2.863,360 6.076,361 1.964,362 3.361,363 1.914,364 4.958,365 2.871,366 1.885,367 2.756,369 5.794,370 1.855,371 2.974,372 1.564,373 4.474,374 2.472,375 1.5,376 2.195,378 4.142,379 1.455,380 2.85,381 1.447,382 4.318,383 2.363,384 1.377,385 2.014,386 4.009,387 1.355,388 2.5,389 1.137,390 3.941,391 2.015,392 1.042,393 1.5,394 2.811,395 1.01,396 2.498,397 1.002,398 3.459,399 2,400 1,401 1.497,402 2.275,403 1,404 2.043,405 1,406 3.414,407 1.541,408 0.59,409 0.832,411 1.521,412 0.556,413 1.658,414 0.586,415 2.879,416 1.353,417 0.465,418 0.546,420 0.757,421 0.41,422 1.48,423 0.374,424 2.834,425 1.054,426 0.11,427 0.144,429 0.263,430 0.102,431 0.987,432 -0.168,433 2.691,434 0.575,435 -0.39,436 -0.501,438 -0.839,439 -0.372,440 12.733,441 0.472,442 0.709,443 0.026,444 41,445 1.519,446 23.5,447 0.87,448 17.5,449 0.648,450 17.588,451 0.651,452 26.867,453 0.64,454 30.477,455 1.129,456 8.238,457 0.305,458 4.898,459 0.181,460 0.092,462 0.432,466 0.929,467 0.925,468 0.693,469 0.841,470 0.997,471 0.742,472 0.826,473 0.949,474 0.705,475 0.844,476 0.589,477 0.768,478 0.963,479 0.955,480 0.904,481 0.924,482 0.841,483 0.908,484 0.899,485 1.127,486 1.017,487 1.095,488 0.869,489 1.084,490 0.606,491 1.108,492 0.879,493 1.077,494 0.733,495 1.045,496 1.145,497 1.011,498 1.032,499 0.98,500 1.239,501 0.976,502 1.011,503 0.93,504 1.096,505 0.966,506 0.922,507 1.022,508 1.086,509 1.014,510 1.117,511 1.098,512 1.264,513 1.119,514 5.5,515 0.14,516 3.333,517 1.979,518 2.084,519 1.018,520 0.75,521 0.377,522 0.236,523 0.165,524 8979,525 25720,526 2.184,527 35.7,529 13,532 2,536 1.701,537 2.051,538 3.356,539 0.194,545 61.766,546 1.471,547 3.346,548 4.167,549 4.957,550 5.089,551 5.089,552 2.954,553 4.533,554 4.721,555 3.506,556 1230.56,557 8.198,558 15068.3,560 1,563 226.477,564 1.388,565 4.691,566 0.177,567 0.009,568 0.072,569 0.04,570 0.047,571 0.026,572 0.023,573 0.015,574 0.011,575 0.008,576 0.429,577 0.5,578 0.88,579 0.704,580 132.047,581 -0.107,582 0.026,583 0.016,584 0.067,585 -0.194,586 0.068,587 0.036,588 0.019,589 0.071,590 0.077,591 0.066,592 0.08,593 -0.037,594 0.031,595 -0.063,596 0.008,597 -0.025,598 -0.029,599 -0.091,600 -0.147,601 -0.131,602 -0.144,603 -0.095,604 -0.145,605 0.113,606 -0.123,607 0.086,608 -0.097,609 0.109,610 -0.029,611 -0.081,612 0.003,613 0.008,614 -0.003,615 -0.056,616 0.018,617 -0.011,618 0.078,619 -0.081,620 0.011,621 0.117,622 -0.03,623 -0.059,624 -0.072,625 -0.147,626 -0.117,627 -0.132,628 -0.149,629 1.898,630 4.278,631 0.852,632 24.609,633 1.014,634 1.101,635 2.801,636 7.845,637 0.718,638 3.466,639 3.85,640 4.205,641 4.554,642 4.898,643 5.081,644 5.303,645 5.521,646 5.663,647 5.793,648 6.097,649 0.704,650 357.38,651 3.466,652 5.043,653 5.938,654 6.855,655 7.771,656 8.697,657 9.622,658 10.553,659 11.484,660 12.419,661 2.4,671 1,674 6,675 10,676 1,678 1,680 5,682 26,696 2,697 1,699 42,700 26,701 3,702 31,704 46,705 22,706 21,707 8,708 10,710 5,711 11,721 21,722 1,736 15,737 5,738 2,739 5,743 1,747 0.4,748 4,756 1,759 1,760 4,762 2,763 1,777 2,781 1,785 27,788 2,791 1,801 9.5,803 2,806 2,808 13.167,809 8.017,810 5.778,811 2.374,812 5.392,813 1.642,814 1.021,815 3.57,816 13.791,817 3.807,818 4.562,819 5.314,820 6.069,821 6.8,822 7.343,823 7.954,824 8.57,825 9.071,826 9.559,827 1,828 49,829 9.947,831 4.421,832 7.809,833 18.762,835 15.92,837 2.309,838 62.333,841 1,842 153.024,843 135.329,844 16.786,846 105.874,849 135.329,850 258.898,851 16.786,852 10.883,854 94.762,855 102.152,856 45.354,857 4.836,858 153.024,860 153.024,861 152.114,862 105.874,865 153.024,866 105.874,869 5.513,870 129.815,871 16.786,873 153.024,874 122.659,875 135.329,878 153.024,879 29.683,880 105.646,882 122.659,883 153.024,884 122.659,885 135.329,887 0.594,888 0.359,889 0.2,890 0.12,891 26,892 11,893 0.043,894 2,895 3,896 1.261,897 3.849,898 254.034,899 0.261,900 23,901 124.382,904 16.122,905 5.979,906 2.534,907 3.994,908 122.659,909 18.557,910 4.564,912 5.468,914 2.756,916 85.367,917 411.012,918 44,926 42.596,927 46.242,928 0.273,929 0.62,930 0.773,931 0.919,932 0.944,933 0.944,934 5.053,935 1.5,936 5.948,937 5.794,938 4.533,939 5.25,940 0.908,941 6.828,942 4.485,943 6.32,944 1.377,945 7.546,946 4.142,947 4.205,948 5.247,950 7.835,951 4.13,952 7.673,953 1.042,954 9.241,955 4.009,956 6.192,957 7.667,958 0.739,959 10.987,960 6.115,961 9.065,962 1,963 10.993,964 2.811,965 6.673,966 8.502,968 12.842,969 6.574,970 10.489,971 0.59,972 12.783,973 2.275,974 8.147,975 10.4,976 0.593,977 15.536,978 8.047,979 11.936,980 0.465,981 14.6,982 1.521,983 9.006,984 11.642,986 17.764,987 8.889,988 13.404,989 0.11,990 16.438,991 0.757,992 10.286,993 13.34,994 0.469,995 20.316,996 10.167,997 3.379,998 -0.39,999 18.293,1000 0.263,1001 11.326,1002 14.779,1004 22.705,1005 11.192,1006 2.911,1007 12.296,1008 20.162,1009 -0.839,1010 12.539,1011 16.406,1012 0.366,1013 25.216,1014 12.399,1015 2.689,1016 9.395,1017 22.043,1018 5.033,1019 13.664,1020 17.937,1022 27.673,1023 13.51,1024 2.459,1025 8.718,1026 23.934,1027 4.158,1028 14.859,1029 19.543,1030 0.283,1031 30.176,1032 14.696,1033 2.335,1034 7.823,1035 25.834,1036 3.796,1037 16.024,1038 21.116,1040 32.661,1041 15.848,1042 2.068,1043 6.781,1044 27.742,1045 3.468,1046 17.219,1047 22.719,1048 0.217,1049 35.164,1050 17.03,1051 1.885,1052 6.076,1053 29.656,1054 3.145,1055 18.405,1056 24.311,1058 37.662,1059 18.203,1060 8330,1061 14233,1062 21.096,1063 30.154,1064 47.761,1065 48.279,1066 49.42,1067 47.589,1068 47.618,1069 67.897,1070 1.72,1071 145.319,1072 46.308,1073 5.522,1074 5.404,1075 6.637,1076 5.379,1077 5.379,1078 8.033,1079 1.72,1080 19.823,1081 5.333,1082 11.768,1083 1.541,1084 1.557,1085 1.594,1086 1.535,1087 1.536,1088 2.19,1089 0.055,1090 4.688,1091 1.494,1092 4.243,1093 4.253,1094 4.227,1095 4.173,1096 6.484,1097 4.184,1098 3.948,1099 3.963,1100 3.903,1101 3.886,1102 6.469,1103 3.887,1104 3.793,1105 3.814,1106 3.743,1107 3.713,1108 5.106,1109 3.716,1110 3.473,1111 3.485,1112 3.423,1113 3.34,1114 4.877,1115 3.354,1116 3.247,1117 3.299,1118 3.133,1119 2.988,1120 4.751,1121 3.015,1122 3.084,1123 3.105,1124 2.958,1125 2.876,1126 4.393,1127 2.887,1128 2.954,1129 3.003,1130 2.871,1131 2.816,1132 4.2,1133 2.824,1134 2.854,1135 2.925,1136 2.701,1137 2.735,1138 4.085,1139 2.715,1140 0.157,1141 0.11,1142 0.229,1143 0.141,1144 0.109,1145 4.869,1146 0.162,1147 3.404,1148 0.028,1149 7.086,1150 0.397,1151 4.365,1152 0.108,1153 3.379,1154 5.033,1155 0.86,1156 12.296,1157 3.333,1158 2.075,1159 2.07,1160 2.126,1161 2.155,1162 1.307,1163 2.14,1164 1.961,1165 1.946,1166 2.039,1167 2.046,1168 1.155,1169 2.045,1170 1.752,1171 1.731,1172 1.857,1173 1.857,1174 0.947,1175 1.857,1176 1.478,1177 1.462,1178 1.569,1179 1.643,1180 0.64,1181 1.613,1182 1.201,1183 1.141,1184 1.546,1185 1.501,1186 0.57,1187 1.522,1188 1.014,1189 0.981,1190 1.183,1191 1.22,1192 0.246,1193 1.198,1194 0.94,1195 0.905,1196 1.181,1197 1.129,1198 0.218,1199 1.13,1200 0.886,1201 0.821,1202 1.135,1203 1.062,1204 0.177,1205 1.107,1206 4.143,1208 5.509,1209 2.398,1210 7.083,1211 4.844,1212 8.751,1213 7.081,1214 10.473,1216 1.639,1221 20.147,1224 5.208,1231 29.568,1232 61.766,1233 140.529,1234 174.993,1235 208.213,1236 213.722,1237 213.722,1238 38.549,1239 8.399,1240 75.72,1241 75.72,1242 29,1243 12.919,1244 4.755,1245 3.807,1246 35.809,1247 100,1248 120,1249 0.183,1250 175.413,1251 289.98,1252 419.767,1253 52247,1255 18.543,1256 0.687,1257 0.535,1258 18.543,1259 14.432,1260 13.135,1261 0.424,1262 0.273,1263 8.348,1264 12.664,1265 8.159,1266 6.729,1267 13.135,1268 8.462,1269 12.218,1270 0.266,1271 0.139,1272 12.218,1273 6.384,1274 10.991,1275 0.167,1276 0.073,1277 10.991,1278 4.801,1279 9.572,1280 0.102,1281 0.037,1282 9.572,1283 3.485,1284 8.55,1285 0.064,1286 0.019,1287 8.55,1288 2.513,1289 0.283,1290 82.307,1291 0.218,1292 25.568,1293 0.517,1294 154,1295 457.416,1296 167.568,1297 441.129,1298 616.99,1299 414,1300 189,1301 470.696,1302 202.24,1303 477.33,1304 707.69,1305 450,1306 5} {0 CHEMBL1947117,1 1.595,2 7.227,3 3.015,4 9.088,5 73.307,6 9.525,7 0.769,8 3.664,9 3.705,10 3.428,11 3.215,12 4.941,13 3.275,14 4.153,15 4.204,16 3.871,17 3.634,18 5.49,19 3.693,20 4.298,21 4.382,22 3.884,23 3.716,24 5.6,25 3.752,26 4.314,27 4.425,28 3.801,29 3.667,30 5.546,31 3.689,32 4.219,33 4.346,34 3.712,35 3.515,36 5.538,37 3.543,38 4.122,39 4.236,40 3.516,41 3.292,42 5.477,43 3.346,44 3.946,45 4.079,46 3.29,47 3.011,48 5.42,49 3.034,50 3.621,51 3.762,52 2.752,53 2.605,54 4.891,55 2.621,56 0.216,57 0.395,58 3.524,59 2.747,60 17.404,61 2.093,62 0.514,63 0.651,64 6.826,65 4.487,66 25.492,67 3.553,68 0.522,69 0.776,70 8.738,71 5.321,72 35.29,73 4.459,74 0.512,75 0.798,76 9.952,77 5.61,78 34.629,79 5.122,80 0.496,81 0.725,82 10.098,83 5.262,84 33.843,85 5.473,86 0.536,87 0.64,88 9.274,89 4.47,90 44.564,91 3.578,92 0.705,93 0.517,94 9.373,95 3.993,96 53.754,97 4.15,98 0.439,99 0.359,100 7.179,101 2.963,102 35.475,103 2.592,104 5,105 40,106 0.29,107 0.651,108 0.775,109 0.867,110 0.89,111 0.89,112 3.15,113 0.771,114 -2.38,115 -2.41,116 -2.37,119 51.6,125 1,133 5,134 3,135 3,137 2,143 1,144 1,159 5,161 1,162 7,164 1,166 2,168 6,171 1,172 8,174 1,176 3,178 7,181 1,182 4,187 4,190 4,193 1,194 5,197 1,199 5,202 3,206 3,209 1,211 1,213 2,216 2,217 2,220 2,221 1,222 1,224 1,229 2,232 1,242 1,245 1,255 546,256 15.118,257 15.118,258 15.118,259 15.118,260 15.118,261 12.861,262 10.914,263 8.546,264 15.386,265 12.875,266 12.875,267 12.875,268 12.875,269 12.875,270 9.288,271 10.166,272 4.107,273 13.344,274 3.359,275 1.378,276 0.697,277 0.194,278 0.065,279 0.065,280 3.866,283 1,284 1,285 366,286 2.236,288 49.802,289 85.362,291 124.825,292 49.624,294 58.577,295 1.066,296 29.794,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 49.5,307 159,308 4.877,309 3.45,310 7.092,311 4.374,312 3.39,313 5.04,314 1.392,315 12.323,316 3.337,317 4.352,318 3.247,319 6.297,320 3.901,321 2.938,322 4.182,323 0.532,324 9.588,325 2.831,326 4.045,327 2.763,328 6.015,329 3.592,330 2.628,331 3.664,333 8.561,334 2.52,335 3.77,336 2.581,337 5.804,338 3.327,339 2.368,340 3.262,342 7.685,343 2.262,344 3.481,345 2.29,346 5.236,347 3.027,348 2.072,349 2.88,351 6.118,352 1.968,353 3.368,354 2.064,355 4.96,356 2.877,357 1.897,358 2.768,360 5.8,361 1.856,362 3.019,363 1.896,364 4.663,365 2.566,366 1.604,367 2.238,369 4.805,370 1.537,371 2.519,372 1.673,373 4.087,374 2.126,375 1.143,376 1.526,378 3.057,379 1.123,380 2.354,381 1.299,382 3.946,383 1.999,384 1.023,385 1.308,386 2.821,387 0.995,388 2.198,389 1.126,390 3.454,391 1.928,392 1,393 1.173,394 2.416,395 0.92,396 1.553,397 0.473,398 3.173,399 1.158,400 0.219,401 0.283,402 0.577,403 0.204,404 1.391,405 0.305,406 2.869,407 0.997,408 0.047,409 0.062,411 0.124,412 0.045,413 0.934,414 -0.254,415 2.685,416 0.459,417 -0.514,418 -0.721,420 -1.563,421 -0.496,422 0.729,423 -0.377,424 2.587,425 0.282,426 -0.658,427 -0.81,429 -1.641,430 -0.594,431 0.631,432 -0.51,433 2.35,434 0.239,435 -0.718,436 -0.99,438 -2.153,439 -0.701,440 10.067,441 0.458,442 0.64,443 0.029,444 33.5,445 1.523,446 18,447 0.818,448 15.5,449 0.705,450 13.356,451 0.607,452 22.333,453 0.72,454 22.92,455 1.042,456 6.645,457 0.302,458 4.058,459 0.184,460 0.066,462 0.497,466 0.976,467 0.978,468 0.625,469 0.866,470 1.018,471 0.682,472 0.882,473 0.946,474 0.678,475 0.81,476 0.61,477 0.705,478 0.961,479 0.979,480 0.915,481 0.94,482 0.878,483 0.92,484 0.929,485 1.082,486 0.986,487 1.065,488 0.906,489 1.052,490 0.733,491 1.152,492 0.792,493 1.124,494 0.818,495 1.031,496 1.36,497 1.104,498 1.243,499 1.148,500 1.557,501 1.137,502 0.663,503 0.953,504 1.017,505 1.084,506 0.71,507 1.163,508 1.455,509 1.039,510 1.502,511 1.167,512 1.505,513 1.303,514 4.5,516 2.667,517 1.861,518 1.888,519 0.73,520 0.583,521 0.206,522 0.111,523 0.031,524 4802,525 15584,526 2.258,527 29,529 5,530 2,532 2,536 1.652,537 2.129,538 2.89,539 0.348,541 1,543 1,545 49.441,546 1.595,547 3.576,548 4.257,549 4.761,550 4.89,551 4.89,552 2.244,553 4.187,554 4.434,555 2.975,556 687.297,557 7.652,558 7055.14,559 1,560 1,561 1,562 1,563 153.58,564 1.349,565 4.401,566 0.173,568 0.067,569 0.047,570 0.052,571 0.023,572 0.023,573 0.011,574 0.011,575 0.008,576 0.415,577 0.67,578 0.88,579 0.517,580 97.043,581 -0.173,582 -0.021,583 -0.008,584 0.04,585 -0.233,586 0.074,587 0.012,588 0.027,589 0.02,590 0.104,591 0.041,592 0.078,593 -0.112,594 0.012,595 -0.133,596 -0.015,597 -0.079,598 -0.065,599 -0.109,600 -0.096,601 -0.111,602 -0.119,603 -0.104,604 -0.117,605 0.095,606 -0.176,607 0.17,608 -0.16,609 0.111,610 -0.029,611 -0.259,612 -0.112,613 -0.244,614 -0.199,615 -0.267,616 -0.205,617 0.503,618 -0.005,619 0.149,620 -0.081,621 0.449,622 -0.102,623 -0.174,624 -0.137,625 -0.274,626 -0.141,627 -0.2,628 -0.218,629 1.925,630 4.095,631 0.909,632 13.421,633 1.041,634 1.103,635 1.151,636 1.324,637 0.72,638 3.296,639 3.714,640 4.094,641 4.489,642 4.82,643 5.037,644 5.283,645 5.521,646 5.606,647 5.69,648 4.495,649 0.732,650 295.26,651 3.296,652 4.89,653 5.802,654 6.739,655 7.672,656 8.615,657 9.555,658 10.5,659 11.445,660 12.392,661 3.2,671 1,674 6,675 5,676 1,678 1,680 4,682 20,696 2,697 2,699 31,700 20,701 2,702 26,704 35,705 16,706 15,707 7,708 5,710 5,711 15,721 15,722 1,732 1,733 1,736 9,737 6,738 2,739 6,743 1,747 0.2,748 5,756 1,759 2,760 3,762 3,763 1,765 1,777 1,785 22,788 2,789 1,791 2,801 16.1,803 2,806 3,808 10.333,809 5.767,810 4.528,811 1.749,812 4.463,813 1.551,814 1.04,815 2.282,816 12.557,817 3.611,818 4.398,819 5.17,820 5.956,821 6.697,822 7.277,823 7.885,824 8.487,825 8.926,826 9.342,827 0.8,828 40,829 8.119,831 3.75,832 7.939,833 15.095,835 13.138,837 2.439,838 53.667,842 82.398,843 82.587,844 16.786,846 116.874,849 82.587,850 199.272,851 16.786,853 6.65,854 47.381,855 102.152,856 55.226,857 28.378,858 58.856,860 82.398,861 99.372,862 116.874,865 82.398,866 116.874,869 12.164,870 70.423,871 16.786,873 82.398,874 133.659,875 82.587,878 82.398,879 35.206,880 47.381,882 133.659,883 82.398,884 133.659,885 82.587,887 0.604,888 0.365,889 0.213,890 0.125,891 25,892 10,895 4,896 1.4,897 3.383,898 202.438,899 0.4,900 20,901 98.107,904 12.231,905 4.104,906 1.619,907 3.671,908 133.659,909 8.3,910 4.411,912 5.38,914 1.116,916 85.367,917 298.644,918 36,926 32.273,927 34.206,928 0.322,929 0.722,930 0.859,931 0.961,932 0.987,933 0.987,934 4.883,935 1.143,936 5.826,937 4.805,938 4.394,939 5.085,940 1.693,941 6.735,942 4.328,943 6.16,944 1.023,945 7.439,946 3.057,947 4.111,948 5.173,950 7.769,951 4.007,952 7.528,953 1,954 9.149,955 2.821,956 6.08,957 7.538,958 2.158,959 10.946,960 5.964,961 8.936,962 0.219,963 10.915,964 2.416,965 6.608,966 8.45,968 12.822,969 6.461,970 10.375,971 0.047,972 12.718,973 0.577,974 8.071,975 10.318,976 2.745,977 15.531,978 7.917,979 11.838,980 -0.514,981 14.547,982 0.124,983 8.969,984 11.609,986 17.77,987 8.791,988 13.32,989 -0.658,990 16.396,991 -1.563,992 10.248,993 13.297,994 3.372,995 20.331,996 10.062,997 3.39,998 -0.718,999 18.261,1000 -1.641,1001 11.314,1002 14.764,1004 22.725,1005 11.112,1006 2.938,1007 12.323,1008 20.139,1009 -2.153,1010 12.532,1011 16.389,1012 4.015,1013 25.241,1014 12.32,1015 2.628,1016 9.588,1017 22.027,1018 5.04,1019 13.673,1020 17.935,1022 27.701,1023 13.447,1024 2.368,1025 8.561,1026 23.925,1027 4.182,1028 14.874,1029 19.543,1030 4.667,1031 30.207,1032 14.638,1033 2.072,1034 7.685,1035 25.83,1036 3.664,1037 16.051,1038 21.124,1040 32.694,1041 15.801,1042 1.897,1043 6.118,1044 27.743,1045 3.262,1046 17.251,1047 22.73,1048 5.323,1049 35.199,1050 16.99,1051 1.604,1052 5.8,1053 29.662,1054 2.88,1055 18.444,1056 24.327,1058 37.699,1059 18.171,1060 4381,1061 8004,1062 17.918,1063 22.324,1064 40.622,1065 41.57,1066 41.763,1067 40.669,1068 40.66,1069 56.769,1070 3.846,1071 127.749,1072 39.192,1073 5.69,1074 5.45,1075 6.591,1076 5.431,1077 5.39,1078 8.04,1079 2.783,1080 19.85,1081 5.337,1082 7.918,1083 1.562,1084 1.599,1085 1.606,1086 1.564,1087 1.564,1088 2.183,1089 0.148,1090 4.913,1091 1.507,1092 4.241,1093 4.248,1094 4.228,1095 4.163,1096 6.484,1097 4.177,1098 3.889,1099 3.895,1100 3.854,1101 3.787,1102 6.469,1103 3.8,1104 3.571,1105 3.579,1106 3.528,1107 3.396,1108 5.137,1109 3.425,1110 3.271,1111 3.265,1112 3.217,1113 2.985,1114 4.926,1115 3.039,1116 2.981,1117 3.023,1118 2.896,1119 2.857,1120 4.618,1121 2.861,1122 2.92,1123 2.957,1124 2.82,1125 2.736,1126 4.17,1127 2.746,1128 2.763,1129 2.785,1130 2.658,1131 2.58,1132 3.992,1133 2.591,1134 2.664,1135 2.722,1136 2.524,1137 2.452,1138 3.785,1139 2.465,1140 0.188,1141 0.133,1142 0.273,1143 0.168,1144 0.13,1145 4.877,1146 0.194,1147 3.45,1148 0.054,1149 7.092,1150 0.474,1151 4.374,1152 0.128,1153 3.39,1154 5.04,1155 1.392,1156 12.323,1157 3.337,1158 2.063,1159 2.06,1160 2.106,1161 2.151,1162 1.292,1163 2.132,1164 1.84,1165 1.827,1166 1.9,1167 1.941,1168 1.028,1169 1.927,1170 1.48,1171 1.463,1172 1.554,1173 1.644,1174 0.639,1175 1.615,1176 1.154,1177 1.124,1178 1.432,1179 1.516,1180 0.574,1181 1.481,1182 0.997,1183 0.985,1184 1.17,1185 1.212,1186 0.193,1187 1.191,1188 0.888,1189 0.87,1190 1.048,1191 1.106,1192 0.117,1193 1.061,1194 0.741,1195 0.687,1196 0.941,1197 1.004,1198 0.01,1199 0.994,1200 0.596,1201 0.582,1202 0.755,1203 0.849,1205 0.829,1206 3.97,1208 5.361,1209 3.045,1210 6.95,1211 5.416,1212 8.637,1213 7.554,1214 10.38,1221 19.849,1222 0.183,1224 10.757,1231 22.703,1232 49.441,1233 110.851,1234 131.97,1235 147.58,1236 151.58,1237 151.58,1238 29.301,1239 8.093,1240 84.95,1241 84.95,1242 28,1243 12.883,1244 4.392,1245 3.459,1246 26.712,1247 59,1248 54,1249 0.231,1250 130.637,1251 213.79,1252 310.515,1253 34836,1255 14.845,1256 0.675,1257 0.507,1258 14.845,1259 11.16,1260 10.704,1261 0.412,1262 0.257,1263 6.541,1264 10.139,1265 6.47,1266 5.258,1267 10.704,1268 6.681,1269 10.378,1270 0.259,1271 0.129,1272 10.378,1273 5.146,1274 9.376,1275 0.159,1276 0.066,1277 9.376,1278 3.871,1279 8.557,1280 0.097,1281 0.033,1282 8.557,1283 2.91,1284 7.53,1285 0.061,1286 0.017,1287 7.53,1288 2.067,1289 0.34,1290 68.417,1291 0.236,1292 20.775,1293 0.709,1294 132,1295 447.151,1296 149.996,1297 417.318,1298 580.98,1299 392,1300 165,1301 444.059,1302 183.001,1303 442.551,1304 665.52,1305 417,1306 5.745} {0 CHEMBL2029614,1 1.459,2 8.577,3 3.621,4 13.113,5 100.789,6 7.477,7 0.414,8 3.961,9 4.057,10 3.526,11 3.518,12 5.094,13 3.503,14 4.496,15 4.646,16 3.915,17 3.933,18 5.571,19 3.903,20 4.812,21 4.991,22 4.067,23 4.108,24 5.869,25 4.063,26 4.919,27 5.109,28 4.13,29 4.106,30 6.198,31 4.056,32 4.896,33 5.087,34 4.029,35 4.081,36 6.005,37 4.035,38 4.862,39 5.036,40 3.962,41 4.047,42 6.097,43 3.99,44 4.781,45 4.976,46 3.805,47 3.964,48 5.941,49 3.885,50 4.692,51 4.891,52 3.495,53 3.793,54 5.863,55 3.682,56 0.059,57 0.62,58 9.572,59 4.637,60 12.419,61 5.587,62 0.118,63 1.056,64 17.715,65 7.644,66 16.796,67 9.719,68 0.238,69 1.362,70 26.235,71 10.565,72 38.221,73 13.478,74 0.867,75 1.442,76 31.004,77 11.496,78 103.394,79 14.994,80 0.446,81 1.402,82 30.377,83 11.136,84 65.345,85 13.868,86 0.686,87 1.337,88 29.368,89 10.679,90 95.485,91 12.998,92 0.371,93 1.26,94 26.813,95 10.157,96 66.806,97 12.836,98 0.481,99 1.123,100 25.351,101 8.983,102 87.818,103 11.134,104 17,105 42,106 0.249,107 0.608,108 0.772,109 0.856,110 0.873,111 0.873,112 3.306,113 0.915,114 -4.02,115 -3.97,116 -3.76,119 44.7,121 3,123 1,124 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 8,162 9,166 4,168 13,172 3,178 6,181 2,182 9,185 4,186 1,187 4,190 9,194 4,199 1,202 7,205 1,206 6,209 2,211 5,213 9,217 4,222 5,224 8,229 3,234 5,237 8,242 1,247 2,250 6,255 976,256 17.552,257 17.552,258 17.552,259 17.552,260 17.552,261 15.731,262 18.712,263 10.255,264 17.794,265 14.311,266 14.311,267 14.311,268 14.311,269 14.311,270 11.501,271 26.079,272 4.855,273 14.735,274 4.095,275 1.993,276 1.033,277 0.543,278 0.442,279 0.442,280 4,283 1,284 1,285 485,286 2.236,289 260.571,292 100.805,295 1.148,296 34.506,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 56.5,307 223,308 4.676,309 3.712,310 7.07,311 4.323,312 3.35,313 4.377,314 0.916,315 12.183,316 3.26,317 4.209,318 3.383,319 6.473,320 3.886,321 2.913,322 3.736,323 0.86,324 9.927,325 2.838,326 3.998,327 2.989,328 6.119,329 3.701,330 2.725,331 3.352,332 0.172,333 8.948,334 2.659,335 3.584,336 2.84,337 5.635,338 3.297,339 2.329,340 2.868,342 7.111,343 2.245,344 3.389,345 2.394,346 5.186,347 3.009,348 2.065,349 2.558,351 6.07,352 1.942,353 3.224,354 2.346,355 4.824,356 2.749,357 1.771,358 2.442,360 5,361 1.719,362 3.047,363 1.891,364 4.441,365 2.65,366 1.664,367 2.153,369 4.286,370 1.623,371 2.59,372 1.616,373 4.184,374 2.391,375 1.414,376 1.565,378 3.487,379 1.379,380 2.5,381 1.472,382 3.614,383 2.291,384 1.329,385 1.5,386 2.958,387 1.272,388 2.414,389 1.196,390 3.529,391 2.047,392 1.076,393 1.414,394 2.638,395 1.038,396 2.358,397 1,398 3.323,399 2,400 1,401 1.344,402 2.136,403 1,404 1.488,405 0.784,406 3.247,407 1.274,408 0.328,409 0.36,411 0.856,412 0.307,413 1.392,414 0.621,415 3.039,416 0.899,417 -0.089,418 -0.116,420 -0.247,421 -0.086,422 0.926,423 -0.049,424 2.661,425 0.637,426 -0.324,427 -0.355,429 -0.777,430 -0.308,431 0.732,432 -0.072,433 2.418,434 0.484,435 -0.51,436 -0.647,438 -1.269,439 -0.476,440 12.233,441 0.471,442 0.699,443 0.027,444 33,445 1.269,446 16.5,447 0.635,448 16.5,449 0.635,450 22.158,451 0.852,452 27.967,453 0.595,454 25.923,455 0.997,456 6.385,457 0.246,458 6.174,459 0.237,460 0.123,462 0.401,466 0.855,467 1.134,468 0.795,469 1.001,470 0.788,471 0.906,472 0.778,473 1.065,474 0.814,475 1.001,476 0.529,477 0.913,478 0.961,479 1.084,480 0.876,481 1.049,482 0.824,483 0.959,484 0.715,485 0.97,486 0.819,487 0.976,488 0.624,489 0.928,490 1.365,491 0.974,492 0.996,493 0.941,494 1.183,495 0.906,496 1.449,497 0.959,498 1.179,499 0.968,500 1.43,501 1.021,502 1.242,503 1.083,504 1.133,505 1.092,506 1.441,507 1.093,508 1.581,509 1.087,510 1.435,511 1.111,512 1.968,513 1.226,514 4.5,515 0.029,516 3.111,517 2.5,518 2.013,519 1.271,520 0.955,521 0.458,522 0.173,523 0.073,524 6911,525 17433,526 2.101,527 44.7,528 2,529 13,532 2,534 4,536 1.7,537 1.95,538 3.064,539 0.213,541 1,545 68.588,546 1.459,547 3.561,548 4.522,549 5.012,550 5.113,551 5.113,552 2.44,553 4.47,554 4.673,555 3.177,556 1032.58,557 8.149,558 12240.2,560 1,562 1,563 261.066,564 1.46,565 4.624,566 0.155,567 0.006,568 0.074,569 0.053,570 0.043,571 0.029,572 0.024,573 0.013,574 0.008,575 0.006,576 0.41,577 0.5,578 1,579 0.596,580 122.986,581 -0.08,582 -0.024,583 0.026,584 0.048,585 -0.088,586 0.053,587 -0.04,588 0.041,589 0.057,590 0.004,591 0.051,592 0.048,593 -0.045,594 -0.06,595 0.06,596 -0.057,597 -0.021,598 0.011,599 0.424,600 0.014,601 0.176,602 -0.004,603 0.344,604 0.031,605 -0.154,606 0.001,607 0.007,608 0.029,609 -0.106,610 0.046,611 -0.091,612 0.015,613 -0.17,614 -0.001,615 -0.071,616 -0.089,617 -0.154,618 -0.109,619 -0.151,620 -0.114,621 -0.12,622 -0.129,623 -0.306,624 -0.127,625 -0.419,626 -0.155,627 -0.339,628 -0.285,629 1.984,630 5.706,631 0.846,632 19.195,633 1.005,634 1.117,635 2.785,636 7.757,637 0.669,638 3.401,639 3.761,640 4.094,641 4.431,642 4.71,643 4.844,644 4.997,645 5.124,646 5.209,647 5.204,648 5.181,649 0.641,650 351.43,651 3.401,652 4.963,653 5.844,654 6.753,655 7.655,656 8.575,657 9.485,658 10.409,659 11.325,660 12.252,661 2.1,664 1,675 6,680 6,682 12,686 1,696 2,697 1,699 47,700 14,701 2,702 29,704 50,705 21,706 12,707 6,708 6,709 3,710 4,711 5,716 4,719 4,721 15,722 6,724 2,728 1,729 1,731 2,732 1,733 1,736 21,737 5,738 2,739 5,743 1,747 0.75,748 4,760 4,763 1,770 2,774 1,777 3,781 1,785 26,788 2,789 4,791 1,793 1,794 1,801 8.5,803 2,804 1,806 1,808 13.333,809 8.6,810 5.639,811 2.911,812 2.629,813 1.347,814 0.952,815 4.469,816 10.204,817 3.638,818 4.234,819 4.832,820 5.424,821 5.968,822 6.286,823 6.64,824 7.007,825 7.343,826 7.591,827 0.833,828 47,829 9.722,831 4.342,832 7.853,833 18.422,835 15.707,837 2.353,838 61.167,841 1,842 223.651,843 109.616,844 3.124,846 121.512,849 109.616,850 345.162,851 3.124,852 8.396,853 9.709,854 66.334,855 120.889,856 28.924,858 223.651,860 223.651,861 112.741,862 121.512,865 176.567,866 168.596,869 12.834,870 85.187,871 14.72,873 223.651,874 124.636,875 109.616,878 223.651,879 34.886,880 77.854,882 121.512,883 223.651,884 124.636,885 109.616,887 0.588,888 0.358,889 0.208,890 0.117,891 22,892 10,893 0.04,894 2,895 1,896 1.091,897 3.601,898 238.01,899 0.091,900 22,901 118.211,904 17.132,905 6.783,906 3.032,908 124.636,909 10.602,914 1.45,916 85.367,917 457.903,918 37,922 12.706,923 1.392,925 0.107,926 47.247,927 52.488,928 0.263,929 0.641,930 0.814,931 0.902,932 0.92,933 0.92,934 4.905,935 1.414,936 5.849,937 4.286,938 4.443,939 4.92,940 1.382,941 6.727,942 4.384,943 6.117,944 1.329,945 7.448,946 3.487,947 4.111,948 4.771,949 0.325,950 7.763,951 4.01,952 7.439,953 1.076,954 9.153,955 2.958,956 6.089,957 7.096,958 1.115,959 10.937,960 5.977,961 8.796,962 1,963 10.919,964 2.638,965 6.581,966 7.766,967 0.393,968 12.82,969 6.43,970 10.188,971 0.328,972 12.726,973 2.136,974 8.052,975 9.593,976 0.921,977 15.523,978 7.888,979 11.605,980 -0.089,981 14.56,982 0.856,983 8.923,984 10.656,985 0.384,986 17.754,987 8.725,988 13.043,989 -0.324,990 16.415,991 -0.247,992 10.202,993 12.276,994 0.764,995 20.303,996 9.985,997 3.35,998 -0.51,999 18.285,1000 -0.777,1001 11.247,1002 13.537,1003 0.351,1004 22.681,1005 10.999,1006 2.913,1007 12.183,1008 20.168,1009 -1.269,1010 12.456,1011 15.067,1012 0.634,1013 25.182,1014 12.186,1015 2.725,1016 9.927,1017 22.059,1018 4.377,1019 13.579,1020 16.427,1021 0.312,1022 27.623,1023 13.279,1024 2.329,1025 8.948,1026 23.959,1027 3.736,1028 14.768,1029 17.919,1030 0.525,1031 30.113,1032 14.444,1033 2.065,1034 7.111,1035 25.866,1036 3.352,1037 15.927,1038 19.331,1039 0.273,1040 32.582,1041 15.575,1042 1.771,1043 6.07,1044 27.778,1045 2.868,1046 17.114,1047 20.807,1048 0.433,1049 35.071,1050 16.735,1051 1.664,1052 5,1053 29.695,1054 2.558,1055 18.291,1056 22.247,1057 0.236,1058 37.554,1059 17.885,1060 6626,1061 10678,1062 19.304,1063 31.438,1064 44.566,1065 45.565,1066 46.056,1067 43.982,1068 43.927,1069 55.337,1070 3.898,1071 131.201,1072 42.561,1073 5.676,1074 5.712,1075 6.872,1076 5.423,1077 5.35,1078 7.377,1079 1.776,1080 19.801,1081 5.26,1082 12.313,1083 1.537,1084 1.571,1085 1.588,1086 1.517,1087 1.515,1088 1.908,1089 0.134,1090 4.524,1091 1.468,1092 4.06,1093 4.073,1094 4.027,1095 3.971,1096 7.428,1097 3.982,1098 3.885,1099 3.921,1100 3.816,1101 3.821,1102 6.491,1103 3.816,1104 3.772,1105 3.813,1106 3.665,1107 3.636,1108 6.445,1109 3.635,1110 3.452,1111 3.465,1112 3.39,1113 3.327,1114 4.858,1115 3.338,1116 3.244,1117 3.347,1118 3.06,1119 3.023,1120 4.625,1121 3.019,1122 3.153,1123 3.208,1124 3.006,1125 2.99,1126 4.351,1127 2.978,1128 2.964,1129 2.993,1130 2.844,1131 2.794,1132 4.055,1133 2.801,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.804,1139 2.715,1140 0.161,1141 0.128,1142 0.244,1143 0.149,1144 0.116,1145 4.676,1146 0.151,1147 3.712,1148 0.032,1149 7.07,1150 0.42,1151 4.323,1152 0.112,1153 3.35,1154 4.377,1155 0.916,1156 12.183,1157 3.26,1158 1.989,1159 1.979,1160 2.089,1161 2.102,1162 1.433,1163 2.095,1164 1.889,1165 1.859,1166 2.028,1167 1.994,1168 1.145,1169 2.007,1170 1.75,1171 1.704,1172 1.891,1173 1.895,1174 1.059,1175 1.897,1176 1.404,1177 1.387,1178 1.607,1179 1.562,1180 0.79,1181 1.559,1182 1.245,1183 1.144,1184 1.537,1185 1.515,1186 0.734,1187 1.542,1188 1.15,1189 1.09,1190 1.447,1191 1.354,1192 0.563,1193 1.388,1194 0.901,1195 0.872,1196 1.181,1197 1.16,1198 0.381,1199 1.147,1200 0.886,1201 0.821,1202 1.179,1203 1.062,1204 0.218,1205 1.107,1206 4.078,1208 5.425,1210 6.989,1212 8.658,1214 10.382,1216 2.001,1221 20.812,1222 3.917,1224 6.076,1226 -0.055,1227 2.157,1231 30.149,1232 68.588,1233 167.375,1234 212.536,1235 235.556,1236 240.311,1237 240.311,1238 56.237,1239 7.574,1240 73.91,1241 73.91,1242 24,1243 12.758,1244 3.907,1245 3.17,1246 37.607,1247 78,1248 88,1249 0.235,1250 181.996,1251 325.66,1252 435.831,1253 18377,1255 18.259,1256 0.702,1257 0.562,1258 18.259,1259 14.605,1260 12.559,1261 0.433,1262 0.305,1263 8.737,1264 12.135,1265 8.544,1266 7.055,1267 12.559,1268 8.844,1269 11.541,1270 0.275,1271 0.163,1272 11.541,1273 6.866,1274 9.942,1275 0.169,1276 0.087,1277 9.942,1278 5.16,1279 9.026,1280 0.109,1281 0.046,1282 9.026,1283 3.828,1284 7.288,1285 0.066,1286 0.025,1287 7.288,1288 2.778,1289 0.351,1290 78.559,1291 0.228,1292 24.236,1293 0.709,1294 142,1295 407.416,1296 154.6,1297 390.937,1298 533.61,1299 364,1300 172,1301 395.082,1302 185.628,1303 398.781,1304 591.32,1305 376,1306 5} {0 CHEMBL2029615,1 1.459,2 8.577,3 3.621,4 13.113,5 100.789,6 7.477,7 0.414,8 3.961,9 4.057,10 3.526,11 3.518,12 5.094,13 3.503,14 4.496,15 4.646,16 3.915,17 3.933,18 5.571,19 3.903,20 4.812,21 4.991,22 4.067,23 4.108,24 5.869,25 4.063,26 4.919,27 5.109,28 4.13,29 4.106,30 6.198,31 4.056,32 4.896,33 5.087,34 4.029,35 4.081,36 6.005,37 4.035,38 4.862,39 5.036,40 3.962,41 4.047,42 6.097,43 3.99,44 4.781,45 4.976,46 3.805,47 3.964,48 5.941,49 3.885,50 4.692,51 4.891,52 3.495,53 3.793,54 5.863,55 3.682,56 0.059,57 0.62,58 9.572,59 4.637,60 12.419,61 5.587,62 0.118,63 1.056,64 17.715,65 7.644,66 16.796,67 9.719,68 0.238,69 1.362,70 26.235,71 10.565,72 38.221,73 13.478,74 0.867,75 1.442,76 31.004,77 11.496,78 103.394,79 14.994,80 0.446,81 1.402,82 30.377,83 11.136,84 65.345,85 13.868,86 0.686,87 1.337,88 29.368,89 10.679,90 95.485,91 12.998,92 0.371,93 1.26,94 26.813,95 10.157,96 66.806,97 12.836,98 0.481,99 1.123,100 25.351,101 8.983,102 87.818,103 11.134,104 17,105 42,106 0.249,107 0.608,108 0.772,109 0.856,110 0.873,111 0.873,112 3.306,113 0.915,114 -4.02,115 -3.97,116 -3.76,119 44.7,121 3,123 1,124 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 8,162 9,166 4,168 13,172 3,178 6,181 2,182 9,185 4,186 1,187 4,190 9,194 4,199 1,202 7,205 1,206 6,209 2,211 5,213 9,217 4,222 5,224 8,229 3,234 5,237 8,242 1,247 2,250 6,255 976,256 17.552,257 17.552,258 17.552,259 17.552,260 17.552,261 15.731,262 18.712,263 10.255,264 17.794,265 14.311,266 14.311,267 14.311,268 14.311,269 14.311,270 11.501,271 26.079,272 4.855,273 14.735,274 4.095,275 1.993,276 1.033,277 0.543,278 0.442,279 0.442,280 4,283 1,284 1,285 485,286 2.236,289 260.571,292 100.805,295 1.148,296 34.506,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 56.5,307 223,308 4.676,309 3.712,310 7.07,311 4.323,312 3.35,313 4.377,314 0.916,315 12.183,316 3.26,317 4.209,318 3.383,319 6.473,320 3.886,321 2.913,322 3.736,323 0.86,324 9.927,325 2.838,326 3.998,327 2.989,328 6.119,329 3.701,330 2.725,331 3.352,332 0.172,333 8.948,334 2.659,335 3.584,336 2.84,337 5.635,338 3.297,339 2.329,340 2.868,342 7.111,343 2.245,344 3.389,345 2.394,346 5.186,347 3.009,348 2.065,349 2.558,351 6.07,352 1.942,353 3.224,354 2.346,355 4.824,356 2.749,357 1.771,358 2.442,360 5,361 1.719,362 3.047,363 1.891,364 4.441,365 2.65,366 1.664,367 2.153,369 4.286,370 1.623,371 2.59,372 1.616,373 4.184,374 2.391,375 1.414,376 1.565,378 3.487,379 1.379,380 2.5,381 1.472,382 3.614,383 2.291,384 1.329,385 1.5,386 2.958,387 1.272,388 2.414,389 1.196,390 3.529,391 2.047,392 1.076,393 1.414,394 2.638,395 1.038,396 2.358,397 1,398 3.323,399 2,400 1,401 1.344,402 2.136,403 1,404 1.488,405 0.784,406 3.247,407 1.274,408 0.328,409 0.36,411 0.856,412 0.307,413 1.392,414 0.621,415 3.039,416 0.899,417 -0.089,418 -0.116,420 -0.247,421 -0.086,422 0.926,423 -0.049,424 2.661,425 0.637,426 -0.324,427 -0.355,429 -0.777,430 -0.308,431 0.732,432 -0.072,433 2.418,434 0.484,435 -0.51,436 -0.647,438 -1.269,439 -0.476,440 12.233,441 0.471,442 0.699,443 0.027,444 33,445 1.269,446 16.5,447 0.635,448 16.5,449 0.635,450 22.158,451 0.852,452 27.967,453 0.595,454 25.923,455 0.997,456 6.385,457 0.246,458 6.174,459 0.237,460 0.123,462 0.401,466 0.855,467 1.134,468 0.795,469 1.001,470 0.788,471 0.906,472 0.778,473 1.065,474 0.814,475 1.001,476 0.529,477 0.913,478 0.961,479 1.084,480 0.876,481 1.049,482 0.824,483 0.959,484 0.715,485 0.97,486 0.819,487 0.976,488 0.624,489 0.928,490 1.365,491 0.974,492 0.996,493 0.941,494 1.183,495 0.906,496 1.449,497 0.959,498 1.179,499 0.968,500 1.43,501 1.021,502 1.242,503 1.083,504 1.133,505 1.092,506 1.441,507 1.093,508 1.581,509 1.087,510 1.435,511 1.111,512 1.968,513 1.226,514 4.5,515 0.029,516 3.111,517 2.5,518 2.013,519 1.271,520 0.955,521 0.458,522 0.173,523 0.073,524 6911,525 17433,526 2.101,527 44.7,528 2,529 13,532 2,534 4,536 1.7,537 1.95,538 3.064,539 0.213,541 1,545 68.588,546 1.459,547 3.561,548 4.522,549 5.012,550 5.113,551 5.113,552 2.44,553 4.47,554 4.673,555 3.177,556 1032.58,557 8.149,558 12240.2,560 1,562 1,563 261.066,564 1.46,565 4.624,566 0.155,567 0.006,568 0.074,569 0.053,570 0.043,571 0.029,572 0.024,573 0.013,574 0.008,575 0.006,576 0.41,577 0.5,578 1,579 0.596,580 122.986,581 -0.08,582 -0.024,583 0.026,584 0.048,585 -0.088,586 0.053,587 -0.04,588 0.041,589 0.057,590 0.004,591 0.051,592 0.048,593 -0.045,594 -0.06,595 0.06,596 -0.057,597 -0.021,598 0.011,599 0.424,600 0.014,601 0.176,602 -0.004,603 0.344,604 0.031,605 -0.154,606 0.001,607 0.007,608 0.029,609 -0.106,610 0.046,611 -0.091,612 0.015,613 -0.17,614 -0.001,615 -0.071,616 -0.089,617 -0.154,618 -0.109,619 -0.151,620 -0.114,621 -0.12,622 -0.129,623 -0.306,624 -0.127,625 -0.419,626 -0.155,627 -0.339,628 -0.285,629 1.984,630 5.706,631 0.846,632 19.195,633 1.005,634 1.117,635 2.785,636 7.757,637 0.669,638 3.401,639 3.761,640 4.094,641 4.431,642 4.71,643 4.844,644 4.997,645 5.124,646 5.209,647 5.204,648 5.181,649 0.641,650 351.43,651 3.401,652 4.963,653 5.844,654 6.753,655 7.655,656 8.575,657 9.485,658 10.409,659 11.325,660 12.252,661 2.1,664 1,675 6,680 6,682 12,686 1,696 2,697 1,699 47,700 14,701 2,702 29,704 50,705 21,706 12,707 6,708 6,709 3,710 4,711 5,716 4,719 4,721 15,722 6,724 2,728 1,729 1,731 2,732 1,733 1,736 21,737 5,738 2,739 5,743 1,747 0.75,748 4,760 4,763 1,770 2,774 1,777 3,781 1,785 26,788 2,789 4,791 1,793 1,794 1,801 8.5,803 2,804 1,806 1,808 13.333,809 8.6,810 5.639,811 2.911,812 2.629,813 1.347,814 0.952,815 4.469,816 10.204,817 3.638,818 4.234,819 4.832,820 5.424,821 5.968,822 6.286,823 6.64,824 7.007,825 7.343,826 7.591,827 0.833,828 47,829 9.722,831 4.342,832 7.853,833 18.422,835 15.707,837 2.353,838 61.167,841 1,842 223.651,843 109.616,844 3.124,846 121.512,849 109.616,850 345.162,851 3.124,852 8.396,853 9.709,854 66.334,855 120.889,856 28.924,858 223.651,860 223.651,861 112.741,862 121.512,865 176.567,866 168.596,869 12.834,870 85.187,871 14.72,873 223.651,874 124.636,875 109.616,878 223.651,879 34.886,880 77.854,882 121.512,883 223.651,884 124.636,885 109.616,887 0.588,888 0.358,889 0.208,890 0.117,891 22,892 10,893 0.04,894 2,895 1,896 1.091,897 3.601,898 238.01,899 0.091,900 22,901 118.211,904 17.132,905 6.783,906 3.032,908 124.636,909 10.602,914 1.45,916 85.367,917 457.903,918 37,922 12.706,923 1.392,925 0.107,926 47.247,927 52.488,928 0.263,929 0.641,930 0.814,931 0.902,932 0.92,933 0.92,934 4.905,935 1.414,936 5.849,937 4.286,938 4.443,939 4.92,940 1.382,941 6.727,942 4.384,943 6.117,944 1.329,945 7.448,946 3.487,947 4.111,948 4.771,949 0.325,950 7.763,951 4.01,952 7.439,953 1.076,954 9.153,955 2.958,956 6.089,957 7.096,958 1.115,959 10.937,960 5.977,961 8.796,962 1,963 10.919,964 2.638,965 6.581,966 7.766,967 0.393,968 12.82,969 6.43,970 10.188,971 0.328,972 12.726,973 2.136,974 8.052,975 9.593,976 0.921,977 15.523,978 7.888,979 11.605,980 -0.089,981 14.56,982 0.856,983 8.923,984 10.656,985 0.384,986 17.754,987 8.725,988 13.043,989 -0.324,990 16.415,991 -0.247,992 10.202,993 12.276,994 0.764,995 20.303,996 9.985,997 3.35,998 -0.51,999 18.285,1000 -0.777,1001 11.247,1002 13.537,1003 0.351,1004 22.681,1005 10.999,1006 2.913,1007 12.183,1008 20.168,1009 -1.269,1010 12.456,1011 15.067,1012 0.634,1013 25.182,1014 12.186,1015 2.725,1016 9.927,1017 22.059,1018 4.377,1019 13.579,1020 16.427,1021 0.312,1022 27.623,1023 13.279,1024 2.329,1025 8.948,1026 23.959,1027 3.736,1028 14.768,1029 17.919,1030 0.525,1031 30.113,1032 14.444,1033 2.065,1034 7.111,1035 25.866,1036 3.352,1037 15.927,1038 19.331,1039 0.273,1040 32.582,1041 15.575,1042 1.771,1043 6.07,1044 27.778,1045 2.868,1046 17.114,1047 20.807,1048 0.433,1049 35.071,1050 16.735,1051 1.664,1052 5,1053 29.695,1054 2.558,1055 18.291,1056 22.247,1057 0.236,1058 37.554,1059 17.885,1060 6626,1061 10678,1062 19.304,1063 31.438,1064 44.566,1065 45.565,1066 46.056,1067 43.982,1068 43.927,1069 55.337,1070 3.898,1071 131.201,1072 42.561,1073 5.676,1074 5.712,1075 6.872,1076 5.423,1077 5.35,1078 7.377,1079 1.776,1080 19.801,1081 5.26,1082 12.313,1083 1.537,1084 1.571,1085 1.588,1086 1.517,1087 1.515,1088 1.908,1089 0.134,1090 4.524,1091 1.468,1092 4.06,1093 4.073,1094 4.027,1095 3.971,1096 7.428,1097 3.982,1098 3.885,1099 3.921,1100 3.816,1101 3.821,1102 6.491,1103 3.816,1104 3.772,1105 3.813,1106 3.665,1107 3.636,1108 6.445,1109 3.635,1110 3.452,1111 3.465,1112 3.39,1113 3.327,1114 4.858,1115 3.338,1116 3.244,1117 3.347,1118 3.06,1119 3.023,1120 4.625,1121 3.019,1122 3.153,1123 3.208,1124 3.006,1125 2.99,1126 4.351,1127 2.978,1128 2.964,1129 2.993,1130 2.844,1131 2.794,1132 4.055,1133 2.801,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.804,1139 2.715,1140 0.161,1141 0.128,1142 0.244,1143 0.149,1144 0.116,1145 4.676,1146 0.151,1147 3.712,1148 0.032,1149 7.07,1150 0.42,1151 4.323,1152 0.112,1153 3.35,1154 4.377,1155 0.916,1156 12.183,1157 3.26,1158 1.989,1159 1.979,1160 2.089,1161 2.102,1162 1.433,1163 2.095,1164 1.889,1165 1.859,1166 2.028,1167 1.994,1168 1.145,1169 2.007,1170 1.75,1171 1.704,1172 1.891,1173 1.895,1174 1.059,1175 1.897,1176 1.404,1177 1.387,1178 1.607,1179 1.562,1180 0.79,1181 1.559,1182 1.245,1183 1.144,1184 1.537,1185 1.515,1186 0.734,1187 1.542,1188 1.15,1189 1.09,1190 1.447,1191 1.354,1192 0.563,1193 1.388,1194 0.901,1195 0.872,1196 1.181,1197 1.16,1198 0.381,1199 1.147,1200 0.886,1201 0.821,1202 1.179,1203 1.062,1204 0.218,1205 1.107,1206 4.078,1208 5.425,1210 6.989,1212 8.658,1214 10.382,1216 2.001,1221 20.812,1222 3.917,1224 6.076,1226 -0.055,1227 2.157,1231 30.149,1232 68.588,1233 167.375,1234 212.536,1235 235.556,1236 240.311,1237 240.311,1238 56.237,1239 7.574,1240 73.91,1241 73.91,1242 24,1243 12.758,1244 3.907,1245 3.17,1246 37.607,1247 78,1248 88,1249 0.235,1250 181.996,1251 325.66,1252 435.831,1253 18377,1255 18.259,1256 0.702,1257 0.562,1258 18.259,1259 14.605,1260 12.559,1261 0.433,1262 0.305,1263 8.737,1264 12.135,1265 8.544,1266 7.055,1267 12.559,1268 8.844,1269 11.541,1270 0.275,1271 0.163,1272 11.541,1273 6.866,1274 9.942,1275 0.169,1276 0.087,1277 9.942,1278 5.16,1279 9.026,1280 0.109,1281 0.046,1282 9.026,1283 3.828,1284 7.288,1285 0.066,1286 0.025,1287 7.288,1288 2.778,1289 0.351,1290 78.559,1291 0.228,1292 24.236,1293 0.709,1294 142,1295 407.416,1296 154.6,1297 390.937,1298 533.61,1299 364,1300 172,1301 395.082,1302 185.628,1303 398.781,1304 591.32,1305 376,1306 5} {0 CHEMBL2029616,1 1.459,2 8.577,3 3.336,4 11.131,5 100.263,6 7.477,7 0.414,8 3.961,9 4.057,10 3.53,11 3.515,12 5.073,13 3.502,14 4.501,15 4.645,16 3.897,17 3.917,18 5.563,19 3.887,20 4.787,21 4.973,22 4.043,23 4.067,24 5.816,25 4.027,26 4.836,27 5.007,28 4.121,29 4.053,30 6.074,31 4.021,32 4.834,33 5.004,34 4.047,35 4.055,36 5.974,37 4.026,38 4.85,39 5.009,40 3.95,41 4.03,42 6.107,43 3.979,44 4.757,45 4.951,46 3.77,47 3.944,48 5.835,49 3.862,50 4.679,51 4.888,52 3.541,53 3.828,54 5.704,55 3.715,56 0.049,57 0.618,58 9.545,59 4.645,60 9.305,61 5.588,62 0.15,63 1.031,64 18.044,65 7.777,66 19.294,67 9.677,68 0.248,69 1.321,70 25.947,71 10.228,72 32.861,73 13.101,74 0.841,75 1.329,76 28.044,77 10.425,78 72.489,79 13.324,80 0.398,81 1.326,82 27.826,83 10.373,84 50.297,85 12.595,86 0.723,87 1.309,88 28.835,89 10.351,90 100.361,91 12.23,92 0.395,93 1.23,94 26.258,95 9.867,96 60.441,97 12.423,98 0.396,99 1.153,100 24.599,101 8.941,102 54.582,103 11.507,104 11,105 41,106 0.249,107 0.622,108 0.786,109 0.863,110 0.873,111 0.873,112 3.306,113 0.916,114 -3.5,115 -3.48,116 -3.32,119 44.7,121 3,123 1,124 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 8,162 8,166 5,168 13,172 2,176 1,178 6,181 3,182 9,185 3,186 1,187 4,190 9,194 4,199 1,202 7,206 6,209 3,211 5,213 9,217 5,222 4,224 8,229 4,234 4,237 8,242 1,247 2,250 6,255 1000,256 17.922,257 17.922,258 17.922,259 17.922,260 17.922,261 16.154,262 20.354,263 10.62,264 18.259,265 14.281,266 14.281,267 14.281,268 14.281,269 14.281,270 11.456,271 29.09,272 4.966,273 14.747,274 4.095,275 1.908,276 0.947,277 0.5,278 0.442,279 0.442,280 4.004,283 1,284 1,285 485,286 2.345,289 262.325,292 102.137,295 1.148,296 31.829,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 56.5,307 223,308 4.676,309 3.71,310 7.049,311 4.314,312 3.34,313 4.382,314 0.86,315 12.126,316 3.253,317 4.198,318 3.31,319 6.375,320 3.831,321 2.85,322 3.735,323 0.86,324 9.619,325 2.795,326 3.966,327 2.982,328 6.125,329 3.671,330 2.691,331 3.34,332 0.657,333 8.982,334 2.636,335 3.548,336 2.793,337 5.295,338 3.176,339 2.203,340 2.879,342 6.43,343 2.136,344 3.259,345 2.379,346 5.129,347 2.988,348 2.047,349 2.508,351 5.899,352 1.918,353 3.174,354 2.308,355 4.84,356 2.748,357 1.77,358 2.242,360 5.036,361 1.718,362 3.05,363 1.872,364 4.437,365 2.67,366 1.694,367 2.143,369 4.286,370 1.636,371 2.591,372 1.572,373 3.731,374 2.335,375 1.365,376 1.566,378 3.017,379 1.318,380 2.5,381 1.26,382 3.545,383 2.064,384 1.096,385 1.5,386 2.657,387 1.053,388 2.389,389 1.166,390 3.331,391 2,392 1,393 1.381,394 2.136,395 1,396 2,397 1.097,398 3.247,399 1.958,400 1,401 1,402 2.136,403 0.956,404 1.709,405 1,406 3.247,407 1.436,408 0.538,409 0.601,411 1.078,412 0.476,413 1.396,414 0.651,415 3.05,416 0.977,417 0.058,418 0.066,420 0.124,421 0.053,422 1.179,423 0.47,424 2.681,425 0.845,426 -0.122,427 -0.159,429 -0.323,430 -0.117,431 0.894,432 -0.118,433 2.517,434 0.512,435 -0.501,436 -0.648,438 -1.287,439 -0.497,440 12.233,441 0.471,442 0.572,443 0.022,444 33,445 1.269,446 16.5,447 0.635,448 16.5,449 0.635,450 21.775,451 0.837,452 27.967,453 0.595,454 25.435,455 0.978,456 6.452,457 0.248,458 6.234,459 0.24,460 0.095,462 0.368,466 0.838,467 1.104,468 0.783,469 1.024,470 0.722,471 0.911,472 0.933,473 1.077,474 0.86,475 1.015,476 0.614,477 0.933,478 0.98,479 1.031,480 0.826,481 0.987,482 0.848,483 0.89,484 0.78,485 0.973,486 0.816,487 0.969,488 0.777,489 0.911,490 1.45,491 1.032,492 1.018,493 0.99,494 1.327,495 0.934,496 1.65,497 0.999,498 1.301,499 1.011,500 1.911,501 1.085,502 1.296,503 1.074,504 1.164,505 1.059,506 1.512,507 1.085,508 1.267,509 1.078,510 1.306,511 1.099,512 1.295,513 1.186,514 4,515 0.029,516 2.667,517 2.313,518 1.862,519 1.333,520 0.851,521 0.368,522 0.136,523 0.079,524 6971,525 17429,526 2.124,527 44.7,528 2,529 13,532 2,534 4,536 1.701,537 2,538 3.066,539 0.213,540 1,541 1,545 68.588,546 1.459,547 3.646,548 4.607,549 5.054,550 5.113,551 5.113,552 2.44,553 4.133,554 4.67,555 3.186,556 1035.47,557 8.149,558 12338,560 1,562 1,563 261.066,564 1.37,565 4.637,566 0.138,567 0.006,568 0.065,569 0.05,570 0.04,571 0.03,572 0.022,573 0.011,574 0.005,575 0.006,576 0.372,577 0.5,578 1,579 0.721,580 123.152,581 -0.063,582 0.006,583 0.039,584 0.024,585 -0.062,586 0.048,587 -0.072,588 -0.007,589 0.028,590 -0.004,591 0.023,592 0.028,593 -0.038,594 -0.013,595 0.123,597 -0.013,598 0.08,599 0.446,600 0.026,601 0.176,602 0.002,603 0.283,604 0.031,605 -0.173,606 -0.041,607 -0.026,608 -0.018,609 -0.1,610 0.003,611 -0.157,612 -0.02,613 -0.285,614 -0.049,615 -0.131,616 -0.174,617 -0.184,618 -0.1,619 -0.181,620 -0.083,621 -0.174,622 -0.125,623 -0.22,624 -0.084,625 -0.322,626 -0.14,627 -0.198,628 -0.229,629 1.848,630 5.857,631 0.846,632 20.118,633 1.005,634 1.117,635 2.274,636 5.172,637 0.669,638 3.401,639 3.738,640 4.078,641 4.419,642 4.71,643 4.844,644 5.017,645 5.142,646 5.209,647 5.22,648 5.221,649 0.641,650 351.43,651 3.401,652 4.949,653 5.826,654 6.73,655 7.63,656 8.546,657 9.456,658 10.378,659 11.293,660 12.219,661 2.1,663 1,675 6,680 6,682 12,686 1,696 1,697 2,699 47,700 14,701 2,702 29,704 50,705 21,706 12,707 6,708 6,709 3,710 4,711 5,716 4,719 4,721 15,722 6,724 2,728 1,729 1,731 2,732 1,733 1,736 21,737 5,738 2,739 5,743 1,747 0.75,748 4,760 4,763 1,770 2,773 1,777 3,781 1,785 26,788 1,789 4,790 1,791 2,793 1,801 8.5,803 1,804 1,806 2,808 13,809 8.617,810 5.778,811 2.911,812 2.624,813 1.348,814 0.971,815 4.703,816 10.164,817 3.638,818 4.22,819 4.832,820 5.428,821 5.984,822 6.303,823 6.669,824 7.02,825 7.359,826 7.614,827 0.833,828 46,829 9.693,831 4.255,832 7.776,833 18.473,835 15.557,837 2.276,838 59.167,841 1,842 223.651,843 117.347,844 18.011,846 89.828,849 117.347,850 313.479,851 18.011,852 10.883,853 9.709,854 84.344,855 78.205,856 42.043,858 223.651,860 223.651,861 135.357,862 89.828,865 176.567,866 136.912,869 27.72,870 92.918,871 14.72,873 223.651,874 107.839,875 117.347,878 223.651,879 40.13,880 77.217,881 18.011,882 89.828,883 223.651,884 107.839,885 117.347,887 0.576,888 0.354,889 0.211,890 0.122,891 21,892 9,893 0.06,894 3,895 1,896 1.091,897 3.639,898 236.201,899 0.091,900 22,901 118.211,904 17.132,905 7.138,906 3.142,908 107.839,909 10.992,914 2.624,916 60.694,917 448.836,918 37,922 12.857,923 1.481,925 0.298,926 47.247,927 52.488,928 0.263,929 0.656,930 0.829,931 0.91,932 0.92,933 0.92,934 4.89,935 1.365,936 5.814,937 4.286,938 4.419,939 4.905,940 1.573,941 6.681,942 4.359,943 6.09,944 1.096,945 7.401,946 3.017,947 4.007,948 4.718,950 7.7,951 3.928,952 7.407,953 1,954 9.095,955 2.657,956 6.047,957 7.085,958 1.27,959 10.876,960 5.94,961 8.761,962 1,963 10.854,964 2.136,965 6.494,966 7.746,968 12.758,969 6.364,970 10.153,971 0.538,972 12.656,973 2.136,974 7.994,975 9.588,976 1.022,977 15.457,978 7.842,979 11.571,980 0.058,981 14.487,982 1.078,983 8.842,984 10.65,986 17.689,987 8.665,988 13.01,989 -0.122,990 16.339,991 0.124,992 10.133,993 12.276,994 0.818,995 20.234,996 9.933,997 3.34,998 -0.501,999 18.207,1000 -0.323,1001 11.167,1002 13.539,1004 22.612,1005 10.941,1006 2.85,1007 12.126,1008 20.087,1009 -1.287,1010 12.381,1011 15.071,1012 0.65,1013 25.109,1014 12.131,1015 2.691,1016 9.619,1017 21.978,1018 4.382,1019 13.5,1020 16.434,1022 27.549,1023 13.222,1024 2.203,1025 8.982,1026 23.876,1027 3.735,1028 14.692,1029 17.927,1030 0.511,1031 30.036,1032 14.388,1033 2.047,1034 6.43,1035 25.781,1036 3.34,1037 15.849,1038 19.341,1040 32.503,1041 15.518,1042 1.77,1043 5.899,1044 27.692,1045 2.879,1046 17.037,1047 20.818,1048 0.399,1049 34.99,1050 16.679,1051 1.694,1052 5.036,1053 29.608,1054 2.508,1055 18.214,1056 22.26,1058 37.47,1059 17.828,1060 6677,1061 10700,1062 19.592,1063 31.438,1064 43.74,1065 45.24,1066 45.284,1067 43.231,1068 43.304,1069 54.686,1070 4.755,1071 127.048,1072 41.895,1073 5.676,1074 5.71,1075 6.851,1076 5.414,1077 5.34,1078 7.382,1079 1.72,1080 19.713,1081 5.253,1082 10.74,1083 1.508,1084 1.56,1085 1.562,1086 1.491,1087 1.493,1088 1.886,1089 0.164,1090 4.381,1091 1.445,1092 4.059,1093 4.069,1094 4.027,1095 3.971,1096 7.428,1097 3.982,1098 3.881,1099 3.915,1100 3.814,1101 3.819,1102 6.469,1103 3.815,1104 3.759,1105 3.805,1106 3.64,1107 3.621,1108 4.897,1109 3.617,1110 3.458,1111 3.472,1112 3.394,1113 3.329,1114 4.73,1115 3.34,1116 3.282,1117 3.334,1118 3.142,1119 3.055,1120 4.537,1121 3.063,1122 3.075,1123 3.171,1124 2.877,1125 2.87,1126 4.361,1127 2.852,1128 3.014,1129 3.105,1130 2.838,1131 2.804,1132 3.994,1133 2.809,1134 2.93,1135 2.952,1136 2.794,1137 2.749,1138 3.674,1139 2.746,1140 0.161,1141 0.128,1142 0.243,1143 0.149,1144 0.115,1145 4.676,1146 0.151,1147 3.71,1148 0.03,1149 7.049,1150 0.418,1151 4.314,1152 0.112,1153 3.34,1154 4.382,1155 0.86,1156 12.126,1157 3.253,1158 1.988,1159 1.979,1160 2.083,1161 2.099,1162 1.412,1163 2.091,1164 1.885,1165 1.857,1166 2.026,1167 1.987,1168 1.15,1169 2.002,1170 1.742,1171 1.693,1172 1.895,1173 1.894,1174 1.064,1175 1.898,1176 1.407,1177 1.389,1178 1.579,1179 1.581,1180 0.789,1181 1.57,1182 1.227,1183 1.169,1184 1.534,1185 1.508,1186 0.605,1187 1.518,1188 1.099,1189 1.01,1190 1.449,1191 1.343,1192 0.585,1193 1.385,1194 0.994,1195 0.907,1196 1.306,1197 1.262,1198 0.489,1199 1.285,1200 0.886,1201 0.842,1202 1.181,1203 1.075,1204 0.218,1205 1.107,1206 4.078,1208 5.407,1210 6.961,1212 8.622,1214 10.341,1216 1.483,1221 10.643,1222 3.923,1223 3.422,1224 11.493,1226 -0.05,1231 30.149,1232 68.588,1233 171.375,1234 216.536,1235 237.556,1236 240.311,1237 240.311,1238 50.431,1239 7.54,1240 71.7,1241 71.7,1242 24,1243 12.726,1244 3.907,1245 3.17,1246 37.585,1247 78,1248 88,1249 0.234,1250 181.996,1251 325.66,1252 435.831,1253 17335,1255 18.096,1256 0.696,1257 0.562,1258 18.096,1259 14.619,1260 12.686,1261 0.437,1262 0.305,1263 8.733,1264 12.214,1265 8.556,1266 7.074,1267 12.686,1268 8.853,1269 11.205,1270 0.273,1271 0.16,1272 11.205,1273 6.559,1274 9.806,1275 0.169,1276 0.085,1277 9.806,1278 4.919,1279 8.864,1280 0.108,1281 0.044,1282 8.864,1283 3.648,1284 7.476,1285 0.068,1286 0.024,1287 7.476,1288 2.671,1289 0.349,1290 79.656,1291 0.226,1292 24.294,1293 0.704,1294 140,1295 411.689,1296 153.014,1297 389.957,1298 535.61,1299 366,1300 169,1301 395.893,1302 182.792,1303 398.628,1304 591.21,1305 376,1306 5} {0 CHEMBL2029617,1 1.479,2 8.04,3 3.165,4 10.017,5 96.188,6 7.668,7 0.429,8 3.905,9 3.996,10 3.491,11 3.465,12 5.061,13 3.456,14 4.431,15 4.573,16 3.888,17 3.879,18 5.535,19 3.859,20 4.723,21 4.891,22 4.005,23 4.027,24 5.819,25 3.991,26 4.809,27 4.984,28 4.084,29 4.007,30 6.149,31 3.974,32 4.786,33 4.961,34 3.981,35 3.983,36 5.947,37 3.957,38 4.75,39 4.912,40 3.861,41 3.95,42 6.021,43 3.895,44 4.659,45 4.858,46 3.713,47 3.844,48 5.839,49 3.769,50 4.556,51 4.75,52 3.323,53 3.653,54 5.745,55 3.539,56 0.07,57 0.579,58 8.617,59 4.281,60 13.072,61 5.018,62 0.134,63 0.988,64 15.952,65 7.014,66 16.51,67 8.695,68 0.254,69 1.239,70 23.302,71 9.604,72 38.952,73 11.892,74 0.85,75 1.279,76 27.173,77 10.28,78 100.448,79 13.045,80 0.462,81 1.254,82 26.589,83 9.787,84 64.909,85 11.651,86 0.689,87 1.198,88 25.58,89 9.455,90 93.175,91 11.092,92 0.322,93 1.125,94 23.399,95 9.044,96 59.835,97 11.439,98 0.492,99 0.982,100 21.946,101 7.765,102 85.557,103 9.311,104 17,105 41,106 0.256,107 0.625,108 0.783,109 0.852,110 0.871,111 0.871,112 3.269,113 0.894,114 -3.79,115 -3.75,116 -3.57,119 45.5,121 2,123 1,124 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 7,162 9,166 4,168 12,172 2,178 6,181 2,182 9,185 4,186 1,187 4,190 8,194 4,199 1,202 7,205 1,206 5,209 2,211 4,213 7,217 4,222 5,224 8,229 2,234 4,237 6,242 1,247 2,250 4,255 867,256 16.845,257 16.845,258 16.845,259 16.845,260 16.845,261 15.024,262 18.712,263 9.755,264 17.087,265 13.811,266 13.811,267 13.811,268 13.811,269 13.811,270 11.001,271 26.079,272 4.607,273 14.235,274 3.981,275 1.844,276 0.932,277 0.534,278 0.426,279 0.426,280 3.961,283 1,284 1,285 439,286 2.236,288 55.2,289 183.411,292 96.792,295 1.165,296 33.93,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 54.5,307 201,308 4.677,309 3.713,310 7.071,311 4.325,312 3.352,313 4.377,314 0.916,315 12.185,316 3.261,317 4.21,318 3.39,319 6.476,320 3.894,321 2.922,322 3.736,323 0.86,324 9.936,325 2.844,326 4.004,327 2.991,328 6.119,329 3.705,330 2.729,331 3.354,332 0.172,333 8.949,334 2.662,335 3.593,336 2.848,337 5.644,338 3.304,339 2.335,340 2.872,342 7.142,343 2.253,344 3.395,345 2.393,346 5.186,347 3.008,348 2.064,349 2.569,351 6.071,352 1.939,353 3.224,354 2.346,355 4.824,356 2.749,357 1.771,358 2.449,360 5,361 1.718,362 3.047,363 1.885,364 4.437,365 2.645,366 1.659,367 2.153,369 4.272,370 1.618,371 2.588,372 1.541,373 4.128,374 2.16,375 1.211,376 1.559,378 3.216,379 1.143,380 2.5,381 1.215,382 3.53,383 2.09,384 1.116,385 1.5,386 2.637,387 1.083,388 2.222,389 1.169,390 3.447,391 2,392 1.03,393 1.208,394 2.366,395 1,396 2.099,397 1,398 3.247,399 1.999,400 1,401 1.091,402 2.136,403 0.992,404 1.393,405 0.781,406 3.235,407 1.096,408 0.152,409 0.171,411 0.425,412 0.142,413 1.34,414 0.424,415 3.033,416 0.89,417 -0.098,418 -0.13,420 -0.275,421 -0.095,422 0.911,423 -0.069,424 2.648,425 0.516,426 -0.489,427 -0.629,429 -1.254,430 -0.469,431 0.692,432 -0.144,433 2.4,434 0.329,435 -0.578,436 -0.653,438 -1.339,439 -0.525,440 11.733,441 0.469,442 0.699,443 0.028,444 32.5,445 1.3,446 16.5,447 0.66,448 16,449 0.64,450 20.101,451 0.804,452 26.667,453 0.606,454 25.275,455 1.011,456 6.385,457 0.255,458 5.674,459 0.227,460 0.128,462 0.418,466 0.858,467 1.116,468 0.773,469 0.976,470 0.793,471 0.879,472 0.787,473 1.043,474 0.79,475 0.973,476 0.536,477 0.881,478 0.991,479 1.081,480 0.901,481 1.072,482 0.859,483 0.981,484 0.725,485 0.969,486 0.781,487 0.971,488 0.66,489 0.907,490 1.459,491 0.979,492 1.022,493 0.937,494 1.263,495 0.899,496 1.467,497 0.97,498 1.263,499 0.987,500 1.466,501 1.075,502 1.08,503 1.101,504 1.054,505 1.107,506 1.365,507 1.081,508 1.626,509 1.078,510 1.537,511 1.109,512 1.995,513 1.274,514 4.5,515 0.017,516 3.111,517 2.375,518 1.781,519 1.306,520 0.831,521 0.436,522 0.141,523 0.071,524 6229,525 16275,526 2.105,527 43.2,529 13,532 2,534 4,536 1.69,537 1.948,538 2.991,539 0.233,540 1,541 1,543 1,545 65.066,546 1.479,547 3.615,548 4.527,549 4.925,550 5.033,551 5.033,552 2.419,553 4.484,554 4.617,555 3.124,556 937.338,557 8.035,558 10815.1,560 1,562 1,563 240.215,564 1.473,565 4.565,566 0.161,567 0.006,568 0.076,569 0.054,570 0.04,571 0.031,572 0.023,573 0.014,574 0.007,575 0.006,576 0.418,577 0.5,578 1,579 0.609,580 116.504,581 -0.088,582 -0.024,583 0.023,584 0.051,585 -0.099,586 0.056,587 -0.049,588 0.059,589 0.062,590 0.018,591 0.043,592 0.063,593 -0.063,594 -0.068,595 0.025,596 -0.085,597 -0.038,598 -0.021,599 0.45,600 0.001,601 0.214,602 0.003,603 0.349,604 0.047,605 -0.193,606 -0.001,607 -0.021,608 0.027,609 -0.139,610 0.037,611 -0.125,612 0.006,613 -0.268,614 -0.022,615 -0.097,616 -0.154,617 -0.1,618 -0.132,619 -0.079,620 -0.13,621 -0.085,622 -0.105,623 -0.357,624 -0.12,625 -0.521,626 -0.157,627 -0.386,628 -0.337,629 1.987,630 5.638,631 0.84,632 17.773,633 1.008,634 1.115,635 2.562,636 6.565,637 0.674,638 3.367,639 3.738,640 4.078,641 4.419,642 4.654,643 4.82,644 4.977,645 5.088,646 5.165,647 5.136,648 5.027,649 0.65,650 337.4,651 3.367,652 4.934,653 5.82,654 6.735,655 7.64,656 8.563,657 9.476,658 10.403,659 11.321,660 12.25,661 2.3,664 1,675 6,680 6,682 12,686 1,696 2,697 1,699 44,700 14,701 2,702 28,704 47,705 20,706 12,707 6,708 6,709 3,710 4,711 5,716 3,719 3,721 15,722 5,724 2,728 1,729 1,731 2,732 1,733 1,736 19,737 5,738 2,739 5,743 1,747 0.75,748 4,757 1,759 1,760 3,763 1,770 2,774 1,777 3,781 1,785 25,788 2,789 3,791 1,793 1,794 1,801 9.1,803 2,804 1,806 1,808 12.833,809 8.1,810 5.389,811 2.661,812 2.634,813 1.352,814 0.955,815 4.02,816 10.109,817 3.611,818 4.22,819 4.824,820 5.419,821 5.953,822 6.28,823 6.635,824 6.997,825 7.331,826 7.572,827 1,828 44,829 9.338,831 4.195,832 7.887,833 17.605,835 15.041,837 2.387,838 59.667,841 1,842 200.109,843 107.082,844 3.124,846 121.512,849 107.082,850 321.62,851 3.124,852 8.396,853 7.175,854 66.334,855 120.889,856 28.924,858 200.109,860 200.109,861 110.206,862 121.512,865 153.024,866 168.596,869 10.299,870 85.187,871 14.72,873 200.109,874 124.636,875 107.082,878 200.109,879 32.352,880 77.854,882 121.512,883 200.109,884 124.636,885 107.082,887 0.592,888 0.361,889 0.21,890 0.112,891 22,892 10,893 0.043,894 2,895 1,896 1.095,897 3.527,898 226.323,899 0.095,900 21,901 110.096,904 16.185,905 6.209,906 2.715,908 124.636,909 10.57,914 1.426,916 85.367,917 431.826,918 36,922 12.638,923 1.385,925 0.101,926 44.363,927 49.073,928 0.271,929 0.662,930 0.829,931 0.902,932 0.922,933 0.922,934 4.883,935 1.211,936 5.832,937 4.272,938 4.419,939 4.905,940 1.382,941 6.718,942 4.359,943 6.101,944 1.116,945 7.437,946 3.216,947 4.111,948 4.771,949 0.325,950 7.763,951 4.01,952 7.428,953 1.03,954 9.145,955 2.637,956 6.075,957 7.091,958 1.115,959 10.935,960 5.962,961 8.79,962 1,963 10.915,964 2.366,965 6.594,966 7.771,967 0.393,968 12.823,969 6.443,970 10.186,971 0.152,972 12.724,973 2.136,974 8.049,975 9.593,976 0.921,977 15.524,978 7.884,979 11.606,980 -0.098,981 14.56,982 0.425,983 8.938,984 10.659,985 0.384,986 17.757,987 8.738,988 13.045,989 -0.489,990 16.416,991 -0.275,992 10.207,993 12.277,994 0.764,995 20.305,996 9.988,997 3.352,998 -0.578,999 18.287,1000 -1.254,1001 11.261,1002 13.538,1003 0.351,1004 22.684,1005 11.01,1006 2.922,1007 12.185,1008 20.169,1009 -1.339,1010 12.465,1011 15.067,1012 0.634,1013 25.184,1014 12.193,1015 2.729,1016 9.936,1017 22.061,1018 4.377,1019 13.593,1020 16.428,1021 0.312,1022 27.626,1023 13.29,1024 2.335,1025 8.949,1026 23.961,1027 3.736,1028 14.78,1029 17.919,1030 0.525,1031 30.115,1032 14.453,1033 2.064,1034 7.142,1035 25.868,1036 3.354,1037 15.941,1038 19.332,1039 0.273,1040 32.585,1041 15.585,1042 1.771,1043 6.071,1044 27.78,1045 2.872,1046 17.127,1047 20.808,1048 0.433,1049 35.074,1050 16.745,1051 1.659,1052 5,1053 29.697,1054 2.569,1055 18.306,1056 22.247,1057 0.236,1058 37.557,1059 17.896,1060 5969,1061 9783,1062 18.611,1063 29.676,1064 43.152,1065 44.222,1066 44.61,1067 42.72,1068 42.679,1069 54.079,1070 3.898,1071 128.668,1072 41.313,1073 5.597,1074 5.713,1075 6.873,1076 5.427,1077 5.352,1078 7.377,1079 1.776,1080 19.806,1081 5.261,1082 12.012,1083 1.541,1084 1.579,1085 1.593,1086 1.526,1087 1.524,1088 1.931,1089 0.139,1090 4.595,1091 1.475,1092 4.062,1093 4.075,1094 4.029,1095 3.972,1096 7.428,1097 3.983,1098 3.887,1099 3.922,1100 3.818,1101 3.822,1102 6.491,1103 3.818,1104 3.762,1105 3.803,1106 3.662,1107 3.618,1108 6.445,1109 3.621,1110 3.445,1111 3.457,1112 3.383,1113 3.317,1114 4.858,1115 3.328,1116 3.136,1117 3.248,1118 3.005,1119 2.901,1120 4.627,1121 2.912,1122 3.069,1123 3.086,1124 2.874,1125 2.894,1126 4.358,1127 2.877,1128 2.888,1129 2.928,1130 2.785,1131 2.755,1132 4.049,1133 2.756,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.7,1139 2.715,1140 0.167,1141 0.133,1142 0.253,1143 0.154,1144 0.12,1145 4.677,1146 0.156,1147 3.713,1148 0.033,1149 7.071,1150 0.435,1151 4.325,1152 0.116,1153 3.352,1154 4.377,1155 0.916,1156 12.185,1157 3.261,1158 1.976,1159 1.97,1160 2.051,1161 2.076,1162 1.285,1163 2.062,1164 1.867,1165 1.845,1166 1.966,1167 1.95,1168 1.144,1169 1.959,1170 1.567,1171 1.508,1172 1.838,1173 1.773,1174 1.089,1175 1.796,1176 1.517,1177 1.456,1178 1.723,1179 1.714,1180 0.899,1181 1.725,1182 1.358,1183 1.322,1184 1.511,1185 1.536,1186 0.574,1187 1.524,1188 0.971,1189 0.916,1190 1.346,1191 1.233,1192 0.492,1193 1.268,1194 0.886,1195 0.822,1196 1.181,1197 1.112,1198 0.218,1199 1.107,1200 0.873,1201 0.821,1202 1.065,1203 1.062,1204 0.142,1205 1.085,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.595,1212 8.623,1213 6.555,1214 10.344,1216 1.981,1221 20.665,1222 2.782,1224 6.036,1226 -0.044,1227 2.126,1231 28.622,1232 65.066,1233 159.08,1234 199.195,1235 216.705,1236 221.46,1237 221.46,1238 52.767,1239 7.474,1240 73.91,1241 73.91,1242 23,1243 12.755,1244 3.907,1245 3.17,1246 35.523,1247 73,1248 82,1249 0.239,1250 172.404,1251 308.36,1252 412.425,1253 15961,1255 17.552,1256 0.702,1257 0.556,1258 17.552,1259 13.898,1260 12.059,1261 0.431,1262 0.298,1263 8.237,1264 11.635,1265 8.054,1266 6.638,1267 12.059,1268 8.344,1269 11.188,1270 0.273,1271 0.159,1272 11.188,1273 6.512,1274 9.692,1275 0.167,1276 0.085,1277 9.692,1278 4.91,1279 8.855,1280 0.108,1281 0.045,1282 8.855,1283 3.663,1284 6.746,1285 0.065,1286 0.023,1287 6.746,1288 2.344,1289 0.355,1290 75.559,1291 0.232,1292 23.4,1293 0.722,1294 138,1295 403.416,1296 150.6,1297 386.775,1298 527.85,1299 360,1300 168,1301 391.082,1302 181.628,1303 394.62,1304 585.56,1305 372,1306 5} {0 CHEMBL2029618,1 1.479,2 8.04,3 3.165,4 10.017,5 96.188,6 7.668,7 0.429,8 3.905,9 3.996,10 3.491,11 3.465,12 5.061,13 3.456,14 4.431,15 4.573,16 3.888,17 3.879,18 5.535,19 3.859,20 4.723,21 4.891,22 4.005,23 4.027,24 5.819,25 3.991,26 4.809,27 4.984,28 4.084,29 4.007,30 6.149,31 3.974,32 4.786,33 4.961,34 3.981,35 3.983,36 5.947,37 3.957,38 4.75,39 4.912,40 3.861,41 3.95,42 6.021,43 3.895,44 4.659,45 4.858,46 3.713,47 3.844,48 5.839,49 3.769,50 4.556,51 4.75,52 3.323,53 3.653,54 5.745,55 3.539,56 0.07,57 0.579,58 8.617,59 4.281,60 13.072,61 5.018,62 0.134,63 0.988,64 15.952,65 7.014,66 16.51,67 8.695,68 0.254,69 1.239,70 23.302,71 9.604,72 38.952,73 11.892,74 0.85,75 1.279,76 27.173,77 10.28,78 100.448,79 13.045,80 0.462,81 1.254,82 26.589,83 9.787,84 64.909,85 11.651,86 0.689,87 1.198,88 25.58,89 9.455,90 93.175,91 11.092,92 0.322,93 1.125,94 23.399,95 9.044,96 59.835,97 11.439,98 0.492,99 0.982,100 21.946,101 7.765,102 85.557,103 9.311,104 17,105 41,106 0.256,107 0.625,108 0.783,109 0.852,110 0.871,111 0.871,112 3.269,113 0.894,114 -3.79,115 -3.75,116 -3.57,119 45.5,121 2,123 1,124 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 7,162 9,166 4,168 12,172 2,178 6,181 2,182 9,185 4,186 1,187 4,190 8,194 4,199 1,202 7,205 1,206 5,209 2,211 4,213 7,217 4,222 5,224 8,229 2,234 4,237 6,242 1,247 2,250 4,255 867,256 16.845,257 16.845,258 16.845,259 16.845,260 16.845,261 15.024,262 18.712,263 9.755,264 17.087,265 13.811,266 13.811,267 13.811,268 13.811,269 13.811,270 11.001,271 26.079,272 4.607,273 14.235,274 3.981,275 1.844,276 0.932,277 0.534,278 0.426,279 0.426,280 3.961,283 1,284 1,285 439,286 2.236,288 55.2,289 183.411,292 96.792,295 1.165,296 33.93,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 54.5,307 201,308 4.677,309 3.713,310 7.071,311 4.325,312 3.352,313 4.377,314 0.916,315 12.185,316 3.261,317 4.21,318 3.39,319 6.476,320 3.894,321 2.922,322 3.736,323 0.86,324 9.936,325 2.844,326 4.004,327 2.991,328 6.119,329 3.705,330 2.729,331 3.354,332 0.172,333 8.949,334 2.662,335 3.593,336 2.848,337 5.644,338 3.304,339 2.335,340 2.872,342 7.142,343 2.253,344 3.395,345 2.393,346 5.186,347 3.008,348 2.064,349 2.569,351 6.071,352 1.939,353 3.224,354 2.346,355 4.824,356 2.749,357 1.771,358 2.449,360 5,361 1.718,362 3.047,363 1.885,364 4.437,365 2.645,366 1.659,367 2.153,369 4.272,370 1.618,371 2.588,372 1.541,373 4.128,374 2.16,375 1.211,376 1.559,378 3.216,379 1.143,380 2.5,381 1.215,382 3.53,383 2.09,384 1.116,385 1.5,386 2.637,387 1.083,388 2.222,389 1.169,390 3.447,391 2,392 1.03,393 1.208,394 2.366,395 1,396 2.099,397 1,398 3.247,399 1.999,400 1,401 1.091,402 2.136,403 0.992,404 1.393,405 0.781,406 3.235,407 1.096,408 0.152,409 0.171,411 0.425,412 0.142,413 1.34,414 0.424,415 3.033,416 0.89,417 -0.098,418 -0.13,420 -0.275,421 -0.095,422 0.911,423 -0.069,424 2.648,425 0.516,426 -0.489,427 -0.629,429 -1.254,430 -0.469,431 0.692,432 -0.144,433 2.4,434 0.329,435 -0.578,436 -0.653,438 -1.339,439 -0.525,440 11.733,441 0.469,442 0.699,443 0.028,444 32.5,445 1.3,446 16.5,447 0.66,448 16,449 0.64,450 20.101,451 0.804,452 26.667,453 0.606,454 25.275,455 1.011,456 6.385,457 0.255,458 5.674,459 0.227,460 0.128,462 0.418,466 0.858,467 1.116,468 0.773,469 0.976,470 0.793,471 0.879,472 0.787,473 1.043,474 0.79,475 0.973,476 0.536,477 0.881,478 0.991,479 1.081,480 0.901,481 1.072,482 0.859,483 0.981,484 0.725,485 0.969,486 0.781,487 0.971,488 0.66,489 0.907,490 1.459,491 0.979,492 1.022,493 0.937,494 1.263,495 0.899,496 1.467,497 0.97,498 1.263,499 0.987,500 1.466,501 1.075,502 1.08,503 1.101,504 1.054,505 1.107,506 1.365,507 1.081,508 1.626,509 1.078,510 1.537,511 1.109,512 1.995,513 1.274,514 4.5,515 0.017,516 3.111,517 2.375,518 1.781,519 1.306,520 0.831,521 0.436,522 0.141,523 0.071,524 6229,525 16275,526 2.105,527 43.2,529 13,532 2,534 4,536 1.69,537 1.948,538 2.991,539 0.233,540 1,541 1,543 1,545 65.066,546 1.479,547 3.615,548 4.527,549 4.925,550 5.033,551 5.033,552 2.419,553 4.484,554 4.617,555 3.124,556 937.338,557 8.035,558 10815.1,560 1,562 1,563 240.215,564 1.473,565 4.565,566 0.161,567 0.006,568 0.076,569 0.054,570 0.04,571 0.031,572 0.023,573 0.014,574 0.007,575 0.006,576 0.418,577 0.5,578 1,579 0.609,580 116.504,581 -0.088,582 -0.024,583 0.023,584 0.051,585 -0.099,586 0.056,587 -0.049,588 0.059,589 0.062,590 0.018,591 0.043,592 0.063,593 -0.063,594 -0.068,595 0.025,596 -0.085,597 -0.038,598 -0.021,599 0.45,600 0.001,601 0.214,602 0.003,603 0.349,604 0.047,605 -0.193,606 -0.001,607 -0.021,608 0.027,609 -0.139,610 0.037,611 -0.125,612 0.006,613 -0.268,614 -0.022,615 -0.097,616 -0.154,617 -0.1,618 -0.132,619 -0.079,620 -0.13,621 -0.085,622 -0.105,623 -0.357,624 -0.12,625 -0.521,626 -0.157,627 -0.386,628 -0.337,629 1.987,630 5.638,631 0.84,632 17.773,633 1.008,634 1.115,635 2.562,636 6.565,637 0.674,638 3.367,639 3.738,640 4.078,641 4.419,642 4.654,643 4.82,644 4.977,645 5.088,646 5.165,647 5.136,648 5.027,649 0.65,650 337.4,651 3.367,652 4.934,653 5.82,654 6.735,655 7.64,656 8.563,657 9.476,658 10.403,659 11.321,660 12.25,661 2.3,664 1,675 6,680 6,682 12,686 1,696 2,697 1,699 44,700 14,701 2,702 28,704 47,705 20,706 12,707 6,708 6,709 3,710 4,711 5,716 3,719 3,721 15,722 5,724 2,728 1,729 1,731 2,732 1,733 1,736 19,737 5,738 2,739 5,743 1,747 0.75,748 4,757 1,759 1,760 3,763 1,770 2,774 1,777 3,781 1,785 25,788 2,789 3,791 1,793 1,794 1,801 9.1,803 2,804 1,806 1,808 12.833,809 8.1,810 5.389,811 2.661,812 2.634,813 1.352,814 0.955,815 4.02,816 10.109,817 3.611,818 4.22,819 4.824,820 5.419,821 5.953,822 6.28,823 6.635,824 6.997,825 7.331,826 7.572,827 1,828 44,829 9.338,831 4.195,832 7.887,833 17.605,835 15.041,837 2.387,838 59.667,841 1,842 200.109,843 107.082,844 3.124,846 121.512,849 107.082,850 321.62,851 3.124,852 8.396,853 7.175,854 66.334,855 120.889,856 28.924,858 200.109,860 200.109,861 110.206,862 121.512,865 153.024,866 168.596,869 10.299,870 85.187,871 14.72,873 200.109,874 124.636,875 107.082,878 200.109,879 32.352,880 77.854,882 121.512,883 200.109,884 124.636,885 107.082,887 0.592,888 0.361,889 0.21,890 0.112,891 22,892 10,893 0.043,894 2,895 1,896 1.095,897 3.527,898 226.323,899 0.095,900 21,901 110.096,904 16.185,905 6.209,906 2.715,908 124.636,909 10.57,914 1.426,916 85.367,917 431.826,918 36,922 12.638,923 1.385,925 0.101,926 44.363,927 49.073,928 0.271,929 0.662,930 0.829,931 0.902,932 0.922,933 0.922,934 4.883,935 1.211,936 5.832,937 4.272,938 4.419,939 4.905,940 1.382,941 6.718,942 4.359,943 6.101,944 1.116,945 7.437,946 3.216,947 4.111,948 4.771,949 0.325,950 7.763,951 4.01,952 7.428,953 1.03,954 9.145,955 2.637,956 6.075,957 7.091,958 1.115,959 10.935,960 5.962,961 8.79,962 1,963 10.915,964 2.366,965 6.594,966 7.771,967 0.393,968 12.823,969 6.443,970 10.186,971 0.152,972 12.724,973 2.136,974 8.049,975 9.593,976 0.921,977 15.524,978 7.884,979 11.606,980 -0.098,981 14.56,982 0.425,983 8.938,984 10.659,985 0.384,986 17.757,987 8.738,988 13.045,989 -0.489,990 16.416,991 -0.275,992 10.207,993 12.277,994 0.764,995 20.305,996 9.988,997 3.352,998 -0.578,999 18.287,1000 -1.254,1001 11.261,1002 13.538,1003 0.351,1004 22.684,1005 11.01,1006 2.922,1007 12.185,1008 20.169,1009 -1.339,1010 12.465,1011 15.067,1012 0.634,1013 25.184,1014 12.193,1015 2.729,1016 9.936,1017 22.061,1018 4.377,1019 13.593,1020 16.428,1021 0.312,1022 27.626,1023 13.29,1024 2.335,1025 8.949,1026 23.961,1027 3.736,1028 14.78,1029 17.919,1030 0.525,1031 30.115,1032 14.453,1033 2.064,1034 7.142,1035 25.868,1036 3.354,1037 15.941,1038 19.332,1039 0.273,1040 32.585,1041 15.585,1042 1.771,1043 6.071,1044 27.78,1045 2.872,1046 17.127,1047 20.808,1048 0.433,1049 35.074,1050 16.745,1051 1.659,1052 5,1053 29.697,1054 2.569,1055 18.306,1056 22.247,1057 0.236,1058 37.557,1059 17.896,1060 5969,1061 9783,1062 18.611,1063 29.676,1064 43.152,1065 44.222,1066 44.61,1067 42.72,1068 42.679,1069 54.079,1070 3.898,1071 128.668,1072 41.313,1073 5.597,1074 5.713,1075 6.873,1076 5.427,1077 5.352,1078 7.377,1079 1.776,1080 19.806,1081 5.261,1082 12.012,1083 1.541,1084 1.579,1085 1.593,1086 1.526,1087 1.524,1088 1.931,1089 0.139,1090 4.595,1091 1.475,1092 4.062,1093 4.075,1094 4.029,1095 3.972,1096 7.428,1097 3.983,1098 3.887,1099 3.922,1100 3.818,1101 3.822,1102 6.491,1103 3.818,1104 3.762,1105 3.803,1106 3.662,1107 3.618,1108 6.445,1109 3.621,1110 3.445,1111 3.457,1112 3.383,1113 3.317,1114 4.858,1115 3.328,1116 3.136,1117 3.248,1118 3.005,1119 2.901,1120 4.627,1121 2.912,1122 3.069,1123 3.086,1124 2.874,1125 2.894,1126 4.358,1127 2.877,1128 2.888,1129 2.928,1130 2.785,1131 2.755,1132 4.049,1133 2.756,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.7,1139 2.715,1140 0.167,1141 0.133,1142 0.253,1143 0.154,1144 0.12,1145 4.677,1146 0.156,1147 3.713,1148 0.033,1149 7.071,1150 0.435,1151 4.325,1152 0.116,1153 3.352,1154 4.377,1155 0.916,1156 12.185,1157 3.261,1158 1.976,1159 1.97,1160 2.051,1161 2.076,1162 1.285,1163 2.062,1164 1.867,1165 1.845,1166 1.966,1167 1.95,1168 1.144,1169 1.959,1170 1.567,1171 1.508,1172 1.838,1173 1.773,1174 1.089,1175 1.796,1176 1.517,1177 1.456,1178 1.723,1179 1.714,1180 0.899,1181 1.725,1182 1.358,1183 1.322,1184 1.511,1185 1.536,1186 0.574,1187 1.524,1188 0.971,1189 0.916,1190 1.346,1191 1.233,1192 0.492,1193 1.268,1194 0.886,1195 0.822,1196 1.181,1197 1.112,1198 0.218,1199 1.107,1200 0.873,1201 0.821,1202 1.065,1203 1.062,1204 0.142,1205 1.085,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.595,1212 8.623,1213 6.555,1214 10.344,1216 1.981,1221 20.665,1222 2.782,1224 6.036,1226 -0.044,1227 2.126,1231 28.622,1232 65.066,1233 159.08,1234 199.195,1235 216.705,1236 221.46,1237 221.46,1238 52.767,1239 7.474,1240 73.91,1241 73.91,1242 23,1243 12.755,1244 3.907,1245 3.17,1246 35.523,1247 73,1248 82,1249 0.239,1250 172.404,1251 308.36,1252 412.425,1253 15961,1255 17.552,1256 0.702,1257 0.556,1258 17.552,1259 13.898,1260 12.059,1261 0.431,1262 0.298,1263 8.237,1264 11.635,1265 8.054,1266 6.638,1267 12.059,1268 8.344,1269 11.188,1270 0.273,1271 0.159,1272 11.188,1273 6.512,1274 9.692,1275 0.167,1276 0.085,1277 9.692,1278 4.91,1279 8.855,1280 0.108,1281 0.045,1282 8.855,1283 3.663,1284 6.746,1285 0.065,1286 0.023,1287 6.746,1288 2.344,1289 0.355,1290 75.559,1291 0.232,1292 23.4,1293 0.722,1294 138,1295 403.416,1296 150.6,1297 386.775,1298 527.85,1299 360,1300 168,1301 391.082,1302 181.628,1303 394.62,1304 585.56,1305 372,1306 5} {0 CHEMBL2029619,1 1.479,2 8.04,3 3.165,4 10.017,5 96.188,6 7.668,7 0.429,8 3.905,9 3.996,10 3.491,11 3.465,12 5.061,13 3.456,14 4.431,15 4.573,16 3.888,17 3.879,18 5.535,19 3.859,20 4.723,21 4.891,22 4.005,23 4.027,24 5.819,25 3.991,26 4.809,27 4.984,28 4.084,29 4.007,30 6.149,31 3.974,32 4.786,33 4.961,34 3.981,35 3.983,36 5.947,37 3.957,38 4.75,39 4.912,40 3.861,41 3.95,42 6.021,43 3.895,44 4.659,45 4.858,46 3.713,47 3.844,48 5.839,49 3.769,50 4.556,51 4.75,52 3.323,53 3.653,54 5.745,55 3.539,56 0.07,57 0.579,58 8.617,59 4.281,60 13.072,61 5.018,62 0.134,63 0.988,64 15.952,65 7.014,66 16.51,67 8.695,68 0.254,69 1.239,70 23.302,71 9.604,72 38.952,73 11.892,74 0.85,75 1.279,76 27.173,77 10.28,78 100.448,79 13.045,80 0.462,81 1.254,82 26.589,83 9.787,84 64.909,85 11.651,86 0.689,87 1.198,88 25.58,89 9.455,90 93.175,91 11.092,92 0.322,93 1.125,94 23.399,95 9.044,96 59.835,97 11.439,98 0.492,99 0.982,100 21.946,101 7.765,102 85.557,103 9.311,104 17,105 41,106 0.256,107 0.625,108 0.783,109 0.852,110 0.871,111 0.871,112 3.269,113 0.894,114 -3.79,115 -3.75,116 -3.57,119 45.5,121 2,123 1,124 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 7,162 9,166 4,168 12,172 2,178 6,181 2,182 9,185 4,186 1,187 4,190 8,194 4,199 1,202 7,205 1,206 5,209 2,211 4,213 7,217 4,222 5,224 8,229 2,234 4,237 6,242 1,247 2,250 4,255 867,256 16.845,257 16.845,258 16.845,259 16.845,260 16.845,261 15.024,262 18.712,263 9.755,264 17.087,265 13.811,266 13.811,267 13.811,268 13.811,269 13.811,270 11.001,271 26.079,272 4.607,273 14.235,274 3.981,275 1.844,276 0.932,277 0.534,278 0.426,279 0.426,280 3.961,283 1,284 1,285 439,286 2.236,288 55.2,289 183.411,292 96.792,295 1.165,296 33.93,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 54.5,307 201,308 4.677,309 3.713,310 7.071,311 4.325,312 3.352,313 4.377,314 0.916,315 12.185,316 3.261,317 4.21,318 3.39,319 6.476,320 3.894,321 2.922,322 3.736,323 0.86,324 9.936,325 2.844,326 4.004,327 2.991,328 6.119,329 3.705,330 2.729,331 3.354,332 0.172,333 8.949,334 2.662,335 3.593,336 2.848,337 5.644,338 3.304,339 2.335,340 2.872,342 7.142,343 2.253,344 3.395,345 2.393,346 5.186,347 3.008,348 2.064,349 2.569,351 6.071,352 1.939,353 3.224,354 2.346,355 4.824,356 2.749,357 1.771,358 2.449,360 5,361 1.718,362 3.047,363 1.885,364 4.437,365 2.645,366 1.659,367 2.153,369 4.272,370 1.618,371 2.588,372 1.541,373 4.128,374 2.16,375 1.211,376 1.559,378 3.216,379 1.143,380 2.5,381 1.215,382 3.53,383 2.09,384 1.116,385 1.5,386 2.637,387 1.083,388 2.222,389 1.169,390 3.447,391 2,392 1.03,393 1.208,394 2.366,395 1,396 2.099,397 1,398 3.247,399 1.999,400 1,401 1.091,402 2.136,403 0.992,404 1.393,405 0.781,406 3.235,407 1.096,408 0.152,409 0.171,411 0.425,412 0.142,413 1.34,414 0.424,415 3.033,416 0.89,417 -0.098,418 -0.13,420 -0.275,421 -0.095,422 0.911,423 -0.069,424 2.648,425 0.516,426 -0.489,427 -0.629,429 -1.254,430 -0.469,431 0.692,432 -0.144,433 2.4,434 0.329,435 -0.578,436 -0.653,438 -1.339,439 -0.525,440 11.733,441 0.469,442 0.699,443 0.028,444 32.5,445 1.3,446 16.5,447 0.66,448 16,449 0.64,450 20.101,451 0.804,452 26.667,453 0.606,454 25.275,455 1.011,456 6.385,457 0.255,458 5.674,459 0.227,460 0.128,462 0.418,466 0.858,467 1.116,468 0.773,469 0.976,470 0.793,471 0.879,472 0.787,473 1.043,474 0.79,475 0.973,476 0.536,477 0.881,478 0.991,479 1.081,480 0.901,481 1.072,482 0.859,483 0.981,484 0.725,485 0.969,486 0.781,487 0.971,488 0.66,489 0.907,490 1.459,491 0.979,492 1.022,493 0.937,494 1.263,495 0.899,496 1.467,497 0.97,498 1.263,499 0.987,500 1.466,501 1.075,502 1.08,503 1.101,504 1.054,505 1.107,506 1.365,507 1.081,508 1.626,509 1.078,510 1.537,511 1.109,512 1.995,513 1.274,514 4.5,515 0.017,516 3.111,517 2.375,518 1.781,519 1.306,520 0.831,521 0.436,522 0.141,523 0.071,524 6229,525 16275,526 2.105,527 43.2,529 13,532 2,534 4,536 1.69,537 1.948,538 2.991,539 0.233,540 1,541 1,543 1,545 65.066,546 1.479,547 3.615,548 4.527,549 4.925,550 5.033,551 5.033,552 2.419,553 4.484,554 4.617,555 3.124,556 937.338,557 8.035,558 10815.1,560 1,562 1,563 240.215,564 1.473,565 4.565,566 0.161,567 0.006,568 0.076,569 0.054,570 0.04,571 0.031,572 0.023,573 0.014,574 0.007,575 0.006,576 0.418,577 0.5,578 1,579 0.609,580 116.504,581 -0.088,582 -0.024,583 0.023,584 0.051,585 -0.099,586 0.056,587 -0.049,588 0.059,589 0.062,590 0.018,591 0.043,592 0.063,593 -0.063,594 -0.068,595 0.025,596 -0.085,597 -0.038,598 -0.021,599 0.45,600 0.001,601 0.214,602 0.003,603 0.349,604 0.047,605 -0.193,606 -0.001,607 -0.021,608 0.027,609 -0.139,610 0.037,611 -0.125,612 0.006,613 -0.268,614 -0.022,615 -0.097,616 -0.154,617 -0.1,618 -0.132,619 -0.079,620 -0.13,621 -0.085,622 -0.105,623 -0.357,624 -0.12,625 -0.521,626 -0.157,627 -0.386,628 -0.337,629 1.987,630 5.638,631 0.84,632 17.773,633 1.008,634 1.115,635 2.562,636 6.565,637 0.674,638 3.367,639 3.738,640 4.078,641 4.419,642 4.654,643 4.82,644 4.977,645 5.088,646 5.165,647 5.136,648 5.027,649 0.65,650 337.4,651 3.367,652 4.934,653 5.82,654 6.735,655 7.64,656 8.563,657 9.476,658 10.403,659 11.321,660 12.25,661 2.3,664 1,675 6,680 6,682 12,686 1,696 2,697 1,699 44,700 14,701 2,702 28,704 47,705 20,706 12,707 6,708 6,709 3,710 4,711 5,716 3,719 3,721 15,722 5,724 2,728 1,729 1,731 2,732 1,733 1,736 19,737 5,738 2,739 5,743 1,747 0.75,748 4,757 1,759 1,760 3,763 1,770 2,774 1,777 3,781 1,785 25,788 2,789 3,791 1,793 1,794 1,801 9.1,803 2,804 1,806 1,808 12.833,809 8.1,810 5.389,811 2.661,812 2.634,813 1.352,814 0.955,815 4.02,816 10.109,817 3.611,818 4.22,819 4.824,820 5.419,821 5.953,822 6.28,823 6.635,824 6.997,825 7.331,826 7.572,827 1,828 44,829 9.338,831 4.195,832 7.887,833 17.605,835 15.041,837 2.387,838 59.667,841 1,842 200.109,843 107.082,844 3.124,846 121.512,849 107.082,850 321.62,851 3.124,852 8.396,853 7.175,854 66.334,855 120.889,856 28.924,858 200.109,860 200.109,861 110.206,862 121.512,865 153.024,866 168.596,869 10.299,870 85.187,871 14.72,873 200.109,874 124.636,875 107.082,878 200.109,879 32.352,880 77.854,882 121.512,883 200.109,884 124.636,885 107.082,887 0.592,888 0.361,889 0.21,890 0.112,891 22,892 10,893 0.043,894 2,895 1,896 1.095,897 3.527,898 226.323,899 0.095,900 21,901 110.096,904 16.185,905 6.209,906 2.715,908 124.636,909 10.57,914 1.426,916 85.367,917 431.826,918 36,922 12.638,923 1.385,925 0.101,926 44.363,927 49.073,928 0.271,929 0.662,930 0.829,931 0.902,932 0.922,933 0.922,934 4.883,935 1.211,936 5.832,937 4.272,938 4.419,939 4.905,940 1.382,941 6.718,942 4.359,943 6.101,944 1.116,945 7.437,946 3.216,947 4.111,948 4.771,949 0.325,950 7.763,951 4.01,952 7.428,953 1.03,954 9.145,955 2.637,956 6.075,957 7.091,958 1.115,959 10.935,960 5.962,961 8.79,962 1,963 10.915,964 2.366,965 6.594,966 7.771,967 0.393,968 12.823,969 6.443,970 10.186,971 0.152,972 12.724,973 2.136,974 8.049,975 9.593,976 0.921,977 15.524,978 7.884,979 11.606,980 -0.098,981 14.56,982 0.425,983 8.938,984 10.659,985 0.384,986 17.757,987 8.738,988 13.045,989 -0.489,990 16.416,991 -0.275,992 10.207,993 12.277,994 0.764,995 20.305,996 9.988,997 3.352,998 -0.578,999 18.287,1000 -1.254,1001 11.261,1002 13.538,1003 0.351,1004 22.684,1005 11.01,1006 2.922,1007 12.185,1008 20.169,1009 -1.339,1010 12.465,1011 15.067,1012 0.634,1013 25.184,1014 12.193,1015 2.729,1016 9.936,1017 22.061,1018 4.377,1019 13.593,1020 16.428,1021 0.312,1022 27.626,1023 13.29,1024 2.335,1025 8.949,1026 23.961,1027 3.736,1028 14.78,1029 17.919,1030 0.525,1031 30.115,1032 14.453,1033 2.064,1034 7.142,1035 25.868,1036 3.354,1037 15.941,1038 19.332,1039 0.273,1040 32.585,1041 15.585,1042 1.771,1043 6.071,1044 27.78,1045 2.872,1046 17.127,1047 20.808,1048 0.433,1049 35.074,1050 16.745,1051 1.659,1052 5,1053 29.697,1054 2.569,1055 18.306,1056 22.247,1057 0.236,1058 37.557,1059 17.896,1060 5969,1061 9783,1062 18.611,1063 29.676,1064 43.152,1065 44.222,1066 44.61,1067 42.72,1068 42.679,1069 54.079,1070 3.898,1071 128.668,1072 41.313,1073 5.597,1074 5.713,1075 6.873,1076 5.427,1077 5.352,1078 7.377,1079 1.776,1080 19.806,1081 5.261,1082 12.012,1083 1.541,1084 1.579,1085 1.593,1086 1.526,1087 1.524,1088 1.931,1089 0.139,1090 4.595,1091 1.475,1092 4.062,1093 4.075,1094 4.029,1095 3.972,1096 7.428,1097 3.983,1098 3.887,1099 3.922,1100 3.818,1101 3.822,1102 6.491,1103 3.818,1104 3.762,1105 3.803,1106 3.662,1107 3.618,1108 6.445,1109 3.621,1110 3.445,1111 3.457,1112 3.383,1113 3.317,1114 4.858,1115 3.328,1116 3.136,1117 3.248,1118 3.005,1119 2.901,1120 4.627,1121 2.912,1122 3.069,1123 3.086,1124 2.874,1125 2.894,1126 4.358,1127 2.877,1128 2.888,1129 2.928,1130 2.785,1131 2.755,1132 4.049,1133 2.756,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.7,1139 2.715,1140 0.167,1141 0.133,1142 0.253,1143 0.154,1144 0.12,1145 4.677,1146 0.156,1147 3.713,1148 0.033,1149 7.071,1150 0.435,1151 4.325,1152 0.116,1153 3.352,1154 4.377,1155 0.916,1156 12.185,1157 3.261,1158 1.976,1159 1.97,1160 2.051,1161 2.076,1162 1.285,1163 2.062,1164 1.867,1165 1.845,1166 1.966,1167 1.95,1168 1.144,1169 1.959,1170 1.567,1171 1.508,1172 1.838,1173 1.773,1174 1.089,1175 1.796,1176 1.517,1177 1.456,1178 1.723,1179 1.714,1180 0.899,1181 1.725,1182 1.358,1183 1.322,1184 1.511,1185 1.536,1186 0.574,1187 1.524,1188 0.971,1189 0.916,1190 1.346,1191 1.233,1192 0.492,1193 1.268,1194 0.886,1195 0.822,1196 1.181,1197 1.112,1198 0.218,1199 1.107,1200 0.873,1201 0.821,1202 1.065,1203 1.062,1204 0.142,1205 1.085,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.595,1212 8.623,1213 6.555,1214 10.344,1216 1.981,1221 20.665,1222 2.782,1224 6.036,1226 -0.044,1227 2.126,1231 28.622,1232 65.066,1233 159.08,1234 199.195,1235 216.705,1236 221.46,1237 221.46,1238 52.767,1239 7.474,1240 73.91,1241 73.91,1242 23,1243 12.755,1244 3.907,1245 3.17,1246 35.523,1247 73,1248 82,1249 0.239,1250 172.404,1251 308.36,1252 412.425,1253 15961,1255 17.552,1256 0.702,1257 0.556,1258 17.552,1259 13.898,1260 12.059,1261 0.431,1262 0.298,1263 8.237,1264 11.635,1265 8.054,1266 6.638,1267 12.059,1268 8.344,1269 11.188,1270 0.273,1271 0.159,1272 11.188,1273 6.512,1274 9.692,1275 0.167,1276 0.085,1277 9.692,1278 4.91,1279 8.855,1280 0.108,1281 0.045,1282 8.855,1283 3.663,1284 6.746,1285 0.065,1286 0.023,1287 6.746,1288 2.344,1289 0.355,1290 75.559,1291 0.232,1292 23.4,1293 0.722,1294 138,1295 403.416,1296 150.6,1297 386.775,1298 527.85,1299 360,1300 168,1301 391.082,1302 181.628,1303 394.62,1304 585.56,1305 372,1306 5} {0 CHEMBL2029620,1 1.499,2 7.958,3 2.629,4 6.912,5 90.893,6 7.887,7 0.444,8 3.844,9 3.932,10 3.45,11 3.416,12 5.022,13 3.413,14 4.356,15 4.48,16 3.843,17 3.828,18 5.503,19 3.81,20 4.668,21 4.846,22 3.939,23 3.937,24 5.781,25 3.906,26 4.662,27 4.816,28 4.033,29 3.873,30 6.097,31 3.871,32 4.637,33 4.778,34 3.886,35 3.868,36 5.861,37 3.858,38 4.626,39 4.795,40 3.771,41 3.835,42 5.924,43 3.781,44 4.516,45 4.702,46 3.581,47 3.704,48 5.732,49 3.638,50 4.405,51 4.611,52 3.202,53 3.513,54 5.559,55 3.396,56 0.091,57 0.537,58 7.684,59 3.928,60 14.833,61 4.426,62 0.116,63 0.902,64 13.665,65 6.618,66 17.527,67 7.906,68 0.305,69 1.161,70 22.219,71 8.978,72 45.499,73 11.014,74 0.843,75 1.095,76 22.714,77 8.605,78 99.332,79 10.45,80 0.487,81 1.079,82 21.556,83 8.151,84 65.583,85 8.818,86 0.599,87 1.072,88 22.091,89 8.463,90 87.333,91 10.031,92 0.365,93 0.971,94 19.851,95 7.66,96 65.389,97 9.222,98 0.402,99 0.861,100 18.607,101 6.813,102 66.861,103 8.304,104 10,105 39,106 0.263,107 0.651,108 0.785,109 0.86,110 0.88,111 0.88,112 3.23,113 0.885,114 -3.56,115 -3.54,116 -3.37,119 46.3,121 2,124 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 7,162 6,166 7,168 12,172 2,178 6,181 1,182 7,185 4,186 2,187 6,190 8,194 4,199 1,202 7,206 3,209 2,210 1,211 6,213 7,217 2,222 7,224 8,234 6,237 6,247 3,250 4,255 772,256 16.345,257 16.345,258 16.345,259 16.345,260 16.345,261 14.524,262 18.197,263 9.594,264 16.543,265 13.344,266 13.344,267 13.344,268 13.344,269 13.344,270 10.529,271 25.602,272 4.555,273 13.701,274 3.858,275 1.648,276 0.885,277 0.457,278 0.341,279 0.341,280 3.925,283 1,284 1,285 420,286 2.121,288 51.9,289 175.81,292 92.804,295 1.135,296 34.571,297 1,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 52.5,307 191,308 4.67,309 3.702,310 7.036,311 4.308,312 3.333,313 4.375,314 0.86,315 12.054,316 3.249,317 4.199,318 3.313,319 6.357,320 3.833,321 2.853,322 3.735,323 0.657,324 9.546,325 2.798,326 3.956,327 2.974,328 6.115,329 3.661,330 2.676,331 3.333,333 8.907,334 2.632,335 3.52,336 2.695,337 5.194,338 3.165,339 2.19,340 2.846,342 6.179,343 2.128,344 3.263,345 2.346,346 5.134,347 2.947,348 2.005,349 2.506,351 5.858,352 1.881,353 3.175,354 2.252,355 4.791,356 2.748,357 1.77,358 2.252,360 4.955,361 1.717,362 3.019,363 1.856,364 4.403,365 2.631,366 1.645,367 2.116,369 4.17,370 1.606,371 2.585,372 1.395,373 3.628,374 2.114,375 1.149,376 1.552,378 2.702,379 1.102,380 2.5,381 1.18,382 3.52,383 2,384 1.03,385 1.5,386 2.447,387 1,388 2.134,389 1,390 3.247,391 1.999,392 1,393 1.116,394 2.136,395 0.992,396 1.618,397 0.803,398 3.098,399 1.567,400 0.618,401 0.618,402 1.372,403 0.585,404 1.393,405 0.781,406 3,407 1.062,408 0.122,409 0.139,411 0.344,412 0.114,413 1.326,414 0.408,415 3,416 0.885,417 -0.101,418 -0.135,420 -0.284,421 -0.098,422 0.908,423 -0.069,424 2.635,425 0.505,426 -0.5,427 -0.647,429 -1.265,430 -0.473,431 0.692,432 -0.162,433 2.392,434 0.325,435 -0.593,436 -0.72,438 -1.38,439 -0.555,440 11.233,441 0.468,442 0.61,443 0.025,444 31.75,445 1.323,446 16.5,447 0.688,448 15.25,449 0.635,450 18.149,451 0.756,452 25.367,453 0.619,454 23.912,455 0.996,456 6.208,457 0.259,458 5.44,459 0.227,460 0.089,462 0.401,466 0.879,467 0.979,468 0.764,469 0.892,470 0.803,471 0.815,472 0.734,473 1.154,474 0.805,475 1.094,476 0.554,477 0.981,478 0.985,479 1.026,480 0.857,481 1.014,482 0.861,483 0.921,484 0.796,485 0.928,486 0.736,487 0.917,488 0.707,489 0.837,490 1.67,491 1.035,492 1.206,493 0.994,494 1.454,495 0.998,496 1.192,497 0.985,498 1.139,499 1.001,500 1.266,501 1.055,502 1.224,503 1.086,504 1.167,505 1.095,506 1.564,507 1.115,508 1.318,509 1.09,510 1.406,511 1.119,512 1.56,513 1.252,514 4,515 0.005,516 2.667,517 2.153,518 1.541,519 1.278,520 0.687,521 0.345,522 0.091,523 0.052,524 5706,525 15382,526 2.135,527 41.5,529 10,532 3,534 4,536 1.678,537 2,538 2.979,539 0.957,540 1,541 1,543 1,545 61.462,546 1.499,547 3.71,548 4.473,549 4.9,550 5.016,551 5.016,552 2.402,553 3.72,554 4.557,555 3.102,556 856.167,557 7.913,558 9606.37,559 1,560 1,562 1,563 219.66,564 1.406,565 4.518,566 0.148,567 0.002,568 0.068,569 0.053,570 0.036,571 0.034,572 0.021,573 0.013,574 0.005,575 0.006,576 0.386,577 0.5,578 1,579 0.566,580 110.34,581 -0.115,582 0.098,583 0.005,584 0.115,585 -0.11,586 0.093,587 -0.033,588 -0.091,589 0.007,590 -0.101,591 0.03,592 -0.046,593 -0.057,594 -0.031,595 0.09,596 -0.038,597 -0.039,598 0.045,599 0.473,600 0.044,601 0.262,602 0.048,603 0.378,604 0.094,605 -0.31,606 -0.047,607 -0.231,608 -0.04,609 -0.249,610 -0.104,611 -0.028,612 -0.014,613 -0.158,614 -0.033,615 0.004,616 -0.113,617 -0.176,618 -0.118,619 -0.188,620 -0.126,621 -0.19,622 -0.153,623 -0.256,624 -0.132,625 -0.396,626 -0.158,627 -0.271,628 -0.281,629 1.994,630 5.55,631 0.875,632 17,633 1.012,634 1.114,635 2.335,636 5.451,637 0.681,638 3.332,639 3.689,640 4.025,641 4.369,642 4.595,643 4.779,644 4.905,645 5.017,646 5.081,647 5.043,648 4.934,649 0.661,650 323.37,651 3.332,652 4.89,653 5.771,654 6.681,655 7.581,656 8.501,657 9.409,658 10.334,659 11.246,660 12.173,661 2.4,663 1,675 6,680 6,682 12,686 1,696 2,697 1,699 41,700 14,701 2,702 27,704 44,705 19,706 12,707 6,708 6,709 3,710 4,711 5,716 3,719 3,721 15,722 4,724 2,728 1,729 1,731 2,732 1,733 1,736 17,737 5,738 3,739 5,743 1,747 0.75,748 4,757 1,759 1,760 3,763 1,770 2,773 1,777 3,785 24,788 2,789 3,790 1,791 1,793 1,801 9.8,803 2,804 1,806 1,808 12,809 7.15,810 5.194,811 2.503,812 2.638,813 1.358,814 0.965,815 3.788,816 10.004,817 3.584,818 4.19,819 4.8,820 5.397,821 5.928,822 6.258,823 6.593,824 6.96,825 7.287,826 7.533,827 1,828 41,829 8.962,831 4.055,832 7.924,833 16.823,835 14.415,837 2.424,838 58.167,841 1,842 164.795,843 98.686,844 18.011,846 121.512,849 98.686,850 286.307,851 18.011,853 7.175,854 84.344,855 120.889,856 25.8,858 164.795,860 164.795,861 116.696,862 121.512,865 117.711,866 168.596,869 25.186,870 76.791,871 14.72,873 164.795,874 139.522,875 98.686,878 164.795,879 32.352,880 66.334,881 18.011,882 121.512,883 164.795,884 139.522,885 98.686,887 0.586,888 0.356,889 0.21,890 0.11,891 21,892 9,893 0.045,894 2,895 1,896 1.095,897 3.494,898 212.608,899 0.095,900 21,901 106.039,904 15.242,905 5.965,906 2.613,908 139.522,909 10.517,914 1.333,916 103.377,917 403.003,918 35,922 12.55,923 1.375,925 0.087,926 41.48,927 45.658,928 0.28,929 0.692,930 0.835,931 0.915,932 0.936,933 0.936,934 4.844,935 1.149,936 5.771,937 4.17,938 4.369,939 4.875,940 1.207,941 6.645,942 4.316,943 6.058,944 1.03,945 7.365,946 2.702,947 4.007,948 4.718,950 7.667,951 3.928,952 7.381,953 1,954 9.063,955 2.447,956 6.009,957 7.068,958 0.903,959 10.841,960 5.911,961 8.741,962 0.618,963 10.826,964 2.136,965 6.494,966 7.741,968 12.718,969 6.37,970 10.136,971 0.122,972 12.629,973 1.372,974 7.964,975 9.575,976 0.678,977 15.415,978 7.822,979 11.556,980 -0.101,981 14.46,982 0.344,983 8.834,984 10.64,986 17.64,987 8.665,988 12.996,989 -0.5,990 16.313,991 -0.284,992 10.108,993 12.264,994 0.512,995 20.182,996 9.92,997 3.333,998 -0.593,999 18.18,1000 -1.265,1001 11.152,1002 13.525,1004 22.554,1005 10.936,1006 2.853,1007 12.054,1008 20.06,1009 -1.38,1010 12.359,1011 15.057,1012 0.387,1013 25.047,1014 12.12,1015 2.676,1016 9.546,1017 21.95,1018 4.375,1019 13.481,1020 16.418,1022 27.481,1023 13.214,1024 2.19,1025 8.907,1026 23.847,1027 3.735,1028 14.667,1029 17.91,1030 0.293,1031 29.962,1032 14.377,1033 2.005,1034 6.179,1035 25.751,1036 3.333,1037 15.825,1038 19.322,1040 32.424,1041 15.507,1042 1.77,1043 5.858,1044 27.661,1045 2.846,1046 17.01,1047 20.798,1048 0.221,1049 34.905,1050 16.666,1051 1.645,1052 4.955,1053 29.575,1054 2.506,1055 18.186,1056 22.238,1058 37.379,1059 17.814,1060 5432,1061 9042,1062 18.205,1063 27.915,1064 41.01,1065 42.361,1066 41.93,1067 40.784,1068 40.783,1069 52.177,1070 3.035,1071 121.337,1072 39.609,1073 5.588,1074 5.702,1075 6.838,1076 5.41,1077 5.333,1078 7.375,1079 1.72,1080 19.63,1081 5.249,1082 10.043,1083 1.519,1084 1.569,1085 1.553,1086 1.511,1087 1.51,1088 1.932,1089 0.112,1090 4.494,1091 1.467,1092 4.057,1093 4.069,1094 4.025,1095 3.969,1096 7.428,1097 3.98,1098 3.882,1099 3.916,1100 3.814,1101 3.82,1102 6.491,1103 3.815,1104 3.74,1105 3.786,1106 3.63,1107 3.596,1108 6.445,1109 3.596,1110 3.443,1111 3.456,1112 3.38,1113 3.316,1114 4.859,1115 3.326,1116 3.069,1117 3.086,1118 3.003,1119 2.896,1120 4.629,1121 2.912,1122 2.888,1123 2.93,1124 2.785,1125 2.756,1126 4.373,1127 2.756,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 4.043,1133 2.715,1134 2.778,1135 2.895,1136 2.658,1137 2.513,1138 3.674,1139 2.497,1140 0.173,1141 0.137,1142 0.261,1143 0.16,1144 0.123,1145 4.67,1146 0.162,1147 3.702,1148 0.032,1149 7.036,1150 0.446,1151 4.308,1152 0.12,1153 3.333,1154 4.375,1155 0.86,1156 12.054,1157 3.249,1158 1.976,1159 1.969,1160 2.05,1161 2.075,1162 1.28,1163 2.061,1164 1.866,1165 1.845,1166 1.964,1167 1.947,1168 1.133,1169 1.957,1170 1.565,1171 1.508,1172 1.826,1173 1.74,1174 1.071,1175 1.775,1176 1.453,1177 1.411,1178 1.631,1179 1.665,1180 0.832,1181 1.657,1182 1.313,1183 1.261,1184 1.486,1185 1.516,1186 0.559,1187 1.503,1188 0.892,1189 0.874,1190 1.181,1191 1.143,1192 0.218,1193 1.107,1194 0.886,1195 0.821,1196 1.065,1197 1.062,1198 0.142,1199 1.095,1200 0.72,1201 0.687,1202 0.955,1203 0.989,1204 0.115,1205 0.978,1206 4.007,1208 5.352,1209 2.398,1210 6.905,1211 4.443,1212 8.563,1213 6.293,1214 10.282,1221 20.461,1222 2.664,1223 3.3,1224 5.974,1226 -0.095,1231 27.095,1232 61.462,1233 152.092,1234 183.395,1235 200.905,1236 205.66,1237 205.66,1238 49.611,1239 7.365,1240 82.7,1241 82.7,1242 23,1243 12.68,1244 3.907,1245 3.17,1246 33.5,1247 69,1248 76,1249 0.239,1250 162.811,1251 291.06,1252 389.02,1253 13912,1255 16.681,1256 0.695,1257 0.54,1258 16.681,1259 12.951,1260 11.648,1261 0.431,1262 0.295,1263 7.87,1264 11.262,1265 7.757,1266 6.37,1267 11.648,1268 7.964,1269 10.66,1270 0.273,1271 0.154,1272 10.66,1273 6.022,1274 9.214,1275 0.168,1276 0.081,1277 9.214,1278 4.465,1279 8.526,1280 0.109,1281 0.043,1282 8.526,1283 3.334,1284 6.323,1285 0.065,1286 0.021,1287 6.323,1288 2.073,1289 0.356,1290 72.89,1291 0.234,1292 22.643,1293 0.722,1294 132,1295 392.103,1296 144.239,1297 375.817,1298 513.15,1299 350,1300 160,1301 380.378,1302 172.795,1303 382.045,1304 567.78,1305 362,1306 5} {0 CHEMBL2029621,1 1.427,2 9.778,3 4.409,4 19.441,5 106.428,6 7.067,7 0.414,8 4.03,9 4.138,10 3.531,11 3.569,12 5.154,13 3.54,14 4.549,15 4.715,16 3.879,17 3.952,18 5.606,19 3.901,20 4.85,21 5.052,22 4.046,23 4.101,24 5.885,25 4.047,26 4.935,27 5.124,28 4.15,29 4.123,30 6.224,31 4.073,32 4.986,33 5.188,34 4.038,35 4.154,36 6.061,37 4.088,38 4.996,39 5.203,40 4.013,41 4.156,42 6.16,43 4.072,44 4.961,45 5.174,46 3.897,47 4.114,48 6.068,49 4.016,50 4.925,51 5.145,52 3.685,53 4.011,54 6.022,55 3.884,56 0.048,57 0.679,58 11.341,59 5.206,60 12.643,61 6.575,62 0.073,63 1.102,64 20.085,65 8.536,66 19.221,67 11.276,68 0.193,69 1.383,70 28.802,71 11.088,72 38.425,73 14.776,74 0.829,75 1.46,76 32.233,77 11.488,78 105.978,79 15.38,80 0.434,81 1.536,82 34.079,83 11.923,84 68.446,85 15.677,86 0.611,87 1.543,88 34.572,89 12.26,90 96.738,91 16.322,92 0.398,93 1.497,94 33.176,95 11.912,96 76.837,97 15.876,98 0.459,99 1.398,100 32.564,101 11.46,102 89.03,103 15.208,104 34,105 40,106 0.24,107 0.594,108 0.758,109 0.847,110 0.875,111 0.875,112 3.341,113 0.964,114 -4.63,115 -4.55,116 -4.28,119 42.3,120 1,121 4,123 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 10,162 6,166 6,168 15,172 2,176 1,178 8,181 1,182 7,185 4,186 2,187 7,190 10,194 4,199 2,202 8,206 4,209 2,210 1,211 8,213 10,217 3,222 8,224 10,229 2,234 8,237 10,242 1,247 4,250 8,255 1171,256 18.345,257 18.345,258 18.345,259 18.345,260 18.345,261 16.524,262 16.616,263 11.029,264 18.561,265 14.22,266 14.22,267 14.22,268 14.22,269 14.22,270 11.406,271 23.102,272 5.096,273 14.561,274 4.273,275 2.164,276 1.188,277 0.659,278 0.491,279 0.491,280 4.02,284 1,285 551,286 3.464,289 215.617,292 115.63,295 1.342,296 35.757,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 58.5,307 264,308 4.669,309 3.702,310 7.035,311 4.306,312 3.331,313 4.375,314 0.86,315 12.048,316 3.248,317 4.197,318 3.306,319 6.353,320 3.826,321 2.845,322 3.735,323 0.657,324 9.525,325 2.791,326 3.95,327 2.973,328 6.115,329 3.651,330 2.665,331 3.33,333 8.903,334 2.625,335 3.512,336 2.669,337 5.191,338 3.131,339 2.158,340 2.843,342 6.144,343 2.094,344 3.249,345 2.346,346 5.099,347 2.906,348 1.956,349 2.503,351 5.708,352 1.851,353 3.131,354 2.195,355 4.783,356 2.748,357 1.769,358 2.208,360 4.936,361 1.717,362 2.985,363 1.84,364 4.398,365 2.646,366 1.655,367 2.059,369 4.138,370 1.627,371 2.602,372 1.632,373 3.648,374 2.521,375 1.545,376 1.597,378 3.043,379 1.499,380 2.558,381 1.214,382 3.528,383 2.057,384 1.087,385 1.527,386 2.647,387 1.047,388 2.5,389 1,390 3.327,391 2,392 1,393 1.5,394 2.136,395 1,396 1.783,397 0.919,398 3.247,399 1.758,400 0.779,401 0.781,402 1.289,403 0.761,404 1.556,405 0.818,406 3.039,407 1.343,408 0.421,409 0.454,411 0.822,412 0.386,413 1.393,414 0.764,415 2.77,416 0.947,417 -0.023,418 -0.024,420 -0.041,421 -0.022,422 1.052,423 0.13,424 2.653,425 0.878,426 -0.107,427 -0.139,429 -0.283,430 -0.104,431 0.904,432 -0.07,433 2.407,434 0.521,435 -0.485,436 -0.596,438 -1.02,439 -0.468,440 12.733,441 0.472,442 0.61,443 0.023,444 32.75,445 1.213,446 16.5,447 0.611,448 16.25,449 0.602,450 24.515,451 0.908,452 29.867,453 0.574,454 26.272,455 0.973,456 6.267,457 0.232,458 6.795,459 0.252,460 0.157,462 0.353,466 0.882,467 1.114,468 0.873,469 1.041,470 0.819,471 0.966,472 0.735,473 1.115,474 0.837,475 1.086,476 0.557,477 0.987,478 0.95,479 1.033,480 0.783,481 0.984,482 0.848,483 0.873,484 0.77,485 1.018,486 0.819,487 0.989,488 0.659,489 0.924,490 1.413,491 1.001,492 1.063,493 0.952,494 1.197,495 0.945,496 1.189,497 0.987,498 1.058,499 0.973,500 1.176,501 0.992,502 1.268,503 1.046,504 1.143,505 1.053,506 1.391,507 1.069,508 1.418,509 1.092,510 1.294,511 1.112,512 1.577,513 1.174,514 4.5,515 0.045,516 2.889,517 2.5,518 1.871,519 1.451,520 0.956,521 0.498,522 0.243,523 0.164,524 7337,525 18151,526 2.014,527 48.1,528 9,529 11,532 3,534 2,536 1.71,537 1.862,538 3.207,539 0.872,541 1,545 74.219,546 1.427,547 3.537,548 4.512,549 5.042,550 5.21,551 5.21,552 2.656,553 4.31,554 4.72,555 3.342,556 1173.21,557 8.249,558 14518,560 1,562 1,563 296.423,564 1.487,565 4.672,566 0.155,567 0.005,568 0.072,569 0.054,570 0.039,571 0.033,572 0.023,573 0.013,574 0.009,575 0.009,576 0.412,577 0.17,578 1,579 1.609,580 130.848,581 -0.085,582 0.05,583 0.01,584 0.066,585 -0.096,586 0.057,587 -0.004,588 -0.01,589 0.069,590 -0.03,591 0.053,592 0.027,594 -0.016,595 0.181,596 0.024,597 -0.001,598 0.119,599 0.458,600 -0.005,601 0.186,602 -0.009,603 0.376,604 0.033,605 -0.173,606 0.004,607 -0.053,608 0.018,609 -0.115,610 0.006,611 -0.001,612 0.009,613 -0.055,615 0.03,616 -0.035,617 -0.16,618 -0.049,619 -0.151,620 -0.078,621 -0.122,622 -0.106,623 -0.219,624 -0.131,625 -0.287,626 -0.147,627 -0.222,628 -0.218,629 2.003,630 5.706,631 0.593,632 23.791,633 1,634 1.122,635 3.396,636 11.532,637 0.653,638 3.401,639 3.714,640 4.025,641 4.344,642 4.595,643 4.754,644 4.868,645 4.963,646 5.011,647 4.984,648 5.662,649 0.619,650 367.48,651 3.401,652 4.934,653 5.796,654 6.691,655 7.58,656 8.491,657 9.393,658 10.311,659 11.219,660 12.142,661 1.9,663 1,675 6,680 6,682 12,686 1,696 2,697 1,699 52,700 14,701 2,702 29,704 54,705 22,706 12,707 6,708 6,709 3,710 3,711 4,715 1,719 5,721 15,722 7,724 2,728 1,729 1,731 2,733 1,736 25,737 5,738 3,739 5,743 1,747 0.667,748 4,760 3,763 1,770 2,773 1,777 2,781 2,785 27,788 2,789 4,790 1,791 1,793 1,801 7.7,803 2,804 1,806 1,808 14.5,809 9.65,810 6.194,811 3.378,812 2.631,813 1.36,814 0.923,815 6.194,816 9.948,817 3.638,818 4.205,819 4.8,820 5.388,821 5.925,822 6.244,823 6.574,824 6.93,825 7.252,826 7.501,827 0.857,828 46,829 10.082,831 4.344,832 7.858,833 19.054,835 15.59,837 2.358,838 63.667,840 1,841 1,842 258.964,843 118.87,844 18.011,846 121.512,849 118.87,850 380.476,851 18.011,852 17.222,853 10.138,854 84.344,855 120.889,856 25.8,858 258.964,860 258.964,861 136.881,862 121.512,865 235.422,866 145.054,869 36.974,870 85.187,871 14.72,873 258.964,874 139.522,875 118.87,878 258.964,879 35.315,880 83.555,881 18.011,882 121.512,883 258.964,884 139.522,885 118.87,887 0.567,888 0.344,889 0.2,890 0.112,891 18,892 9,893 0.13,894 7,895 1,896 1.125,897 3.663,898 235.842,899 0.125,900 16,901 124.382,904 19.463,905 8.593,906 4.019,908 139.522,909 10.535,914 1.244,916 103.377,917 517.357,918 37,922 12.706,923 1.379,925 0.069,926 52.014,927 58.318,928 0.25,929 0.62,930 0.792,931 0.884,932 0.914,933 0.914,934 4.875,935 1.545,936 5.784,937 4.138,938 4.394,939 4.89,940 1.207,941 6.642,942 4.345,943 6.076,944 1.087,945 7.37,946 3.043,947 4.007,948 4.718,950 7.667,951 3.928,952 7.391,953 1,954 9.064,955 2.647,956 6.014,957 7.069,958 0.903,959 10.834,960 5.921,961 8.745,962 0.779,963 10.824,964 2.136,965 6.479,966 7.736,968 12.713,969 6.356,970 10.136,971 0.421,972 12.626,973 1.289,974 7.956,975 9.573,976 0.678,977 15.409,978 7.82,979 11.553,980 -0.023,981 14.457,982 0.822,983 8.817,984 10.637,986 17.635,987 8.65,988 12.991,989 -0.107,990 16.309,991 -0.041,992 10.095,993 12.262,994 0.512,995 20.176,996 9.911,997 3.331,998 -0.485,999 18.177,1000 -0.283,1001 11.137,1002 13.523,1004 22.548,1005 10.923,1006 2.845,1007 12.048,1008 20.056,1009 -1.02,1010 12.345,1011 15.055,1012 0.387,1013 25.041,1014 12.109,1015 2.665,1016 9.525,1017 21.946,1018 4.375,1019 13.466,1020 16.416,1022 27.475,1023 13.202,1024 2.158,1025 8.903,1026 23.843,1027 3.735,1028 14.653,1029 17.909,1030 0.293,1031 29.956,1032 14.365,1033 1.956,1034 6.144,1035 25.748,1036 3.33,1037 15.811,1038 19.321,1040 32.417,1041 15.495,1042 1.769,1043 5.708,1044 27.657,1045 2.843,1046 16.996,1047 20.797,1048 0.221,1049 34.898,1050 16.654,1051 1.655,1052 4.936,1053 29.572,1054 2.503,1055 18.172,1056 22.237,1058 37.372,1059 17.803,1060 7373,1061 11805,1062 18.898,1063 33.961,1064 42.998,1065 44.191,1066 45.341,1067 42.447,1068 42.422,1069 53.824,1070 3.035,1071 122.677,1072 41.29,1073 5.568,1074 5.702,1075 6.945,1076 5.406,1077 5.331,1078 7.375,1079 1.72,1080 19.622,1081 5.248,1082 14.607,1083 1.483,1084 1.524,1085 1.563,1086 1.464,1087 1.463,1088 1.856,1089 0.105,1090 4.23,1091 1.424,1092 4.051,1093 4.059,1094 4.021,1095 3.965,1096 7.428,1097 3.976,1098 3.872,1099 3.901,1100 3.809,1101 3.814,1102 6.491,1103 3.81,1104 3.729,1105 3.786,1106 3.586,1107 3.602,1108 6.445,1109 3.588,1110 3.533,1111 3.6,1112 3.417,1113 3.38,1114 4.859,1115 3.383,1116 3.41,1117 3.439,1118 3.291,1119 3.251,1120 4.628,1121 3.251,1122 3.224,1123 3.331,1124 2.967,1125 2.995,1126 4.351,1127 2.974,1128 3.039,1129 3.067,1130 2.958,1131 2.843,1132 4.143,1133 2.859,1134 2.886,1135 2.939,1136 2.754,1137 2.736,1138 4.045,1139 2.729,1140 0.161,1141 0.128,1142 0.243,1143 0.148,1144 0.115,1145 4.669,1146 0.151,1147 3.702,1148 0.03,1149 7.035,1150 0.415,1151 4.306,1152 0.112,1153 3.331,1154 4.375,1155 0.86,1156 12.048,1157 3.248,1158 1.981,1159 1.974,1160 2.067,1161 2.086,1162 1.381,1163 2.075,1164 1.876,1165 1.851,1166 2.022,1167 1.968,1168 1.183,1169 1.987,1170 1.733,1171 1.677,1172 1.933,1173 1.888,1174 1.093,1175 1.91,1176 1.513,1177 1.457,1178 1.76,1179 1.732,1180 0.938,1181 1.746,1182 1.368,1183 1.332,1184 1.621,1185 1.545,1186 0.706,1187 1.556,1188 1.241,1189 1.134,1190 1.514,1191 1.507,1192 0.582,1193 1.529,1194 0.982,1195 0.934,1196 1.328,1197 1.231,1198 0.501,1199 1.256,1200 0.886,1201 0.824,1202 1.181,1203 1.104,1204 0.228,1205 1.107,1206 4.078,1208 5.389,1210 6.921,1212 8.566,1214 10.277,1216 3.945,1221 20.785,1222 3.934,1223 3.205,1224 6.051,1226 -0.186,1231 32.202,1232 74.219,1233 183.903,1234 234.648,1235 262.158,1236 270.913,1237 270.913,1238 70.565,1239 7.317,1240 82.7,1241 82.7,1242 18,1243 12.652,1244 3.907,1245 3.17,1246 46.506,1247 87,1248 119,1249 0.259,1250 198.982,1251 355.32,1252 477.276,1253 13065,1255 19.389,1256 0.718,1257 0.58,1258 19.389,1259 15.658,1260 13.062,1261 0.45,1262 0.321,1263 9.219,1264 12.663,1265 8.974,1266 7.527,1267 13.062,1268 9.318,1269 11.28,1270 0.282,1271 0.168,1272 11.28,1273 6.711,1274 9.517,1275 0.173,1276 0.088,1277 9.517,1278 4.849,1279 8.509,1280 0.112,1281 0.045,1282 8.509,1283 3.434,1284 6.614,1285 0.067,1286 0.024,1287 6.614,1288 2.33,1289 0.391,1290 81.479,1291 0.23,1292 25.317,1293 0.763,1294 138,1295 398.103,1296 149.906,1297 382.89,1298 519.95,1299 356,1300 164,1301 382.096,1302 176.462,1303 385.614,1304 569.64,1305 364,1306 5} {0 CHEMBL2029622,1 1.427,2 9.778,3 4.409,4 19.441,5 106.428,6 7.067,7 0.414,8 4.03,9 4.138,10 3.531,11 3.569,12 5.154,13 3.54,14 4.549,15 4.715,16 3.879,17 3.952,18 5.606,19 3.901,20 4.85,21 5.052,22 4.046,23 4.101,24 5.885,25 4.047,26 4.935,27 5.124,28 4.15,29 4.123,30 6.224,31 4.073,32 4.986,33 5.188,34 4.038,35 4.154,36 6.061,37 4.088,38 4.996,39 5.203,40 4.013,41 4.156,42 6.16,43 4.072,44 4.961,45 5.174,46 3.897,47 4.114,48 6.068,49 4.016,50 4.925,51 5.145,52 3.685,53 4.011,54 6.022,55 3.884,56 0.048,57 0.679,58 11.341,59 5.206,60 12.643,61 6.575,62 0.073,63 1.102,64 20.085,65 8.536,66 19.221,67 11.276,68 0.193,69 1.383,70 28.802,71 11.088,72 38.425,73 14.776,74 0.829,75 1.46,76 32.233,77 11.488,78 105.978,79 15.38,80 0.434,81 1.536,82 34.079,83 11.923,84 68.446,85 15.677,86 0.611,87 1.543,88 34.572,89 12.26,90 96.738,91 16.322,92 0.398,93 1.497,94 33.176,95 11.912,96 76.837,97 15.876,98 0.459,99 1.398,100 32.564,101 11.46,102 89.03,103 15.208,104 34,105 40,106 0.24,107 0.594,108 0.758,109 0.847,110 0.875,111 0.875,112 3.341,113 0.964,114 -4.63,115 -4.55,116 -4.28,119 42.3,120 1,121 4,123 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 10,162 6,166 6,168 15,172 2,176 1,178 8,181 1,182 7,185 4,186 2,187 7,190 10,194 4,199 2,202 8,206 4,209 2,210 1,211 8,213 10,217 3,222 8,224 10,229 2,234 8,237 10,242 1,247 4,250 8,255 1171,256 18.345,257 18.345,258 18.345,259 18.345,260 18.345,261 16.524,262 16.616,263 11.029,264 18.561,265 14.22,266 14.22,267 14.22,268 14.22,269 14.22,270 11.406,271 23.102,272 5.096,273 14.561,274 4.273,275 2.164,276 1.188,277 0.659,278 0.491,279 0.491,280 4.02,284 1,285 551,286 3.464,289 215.617,292 115.63,295 1.342,296 35.757,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 58.5,307 264,308 4.669,309 3.702,310 7.035,311 4.306,312 3.331,313 4.375,314 0.86,315 12.048,316 3.248,317 4.197,318 3.306,319 6.353,320 3.826,321 2.845,322 3.735,323 0.657,324 9.525,325 2.791,326 3.95,327 2.973,328 6.115,329 3.651,330 2.665,331 3.33,333 8.903,334 2.625,335 3.512,336 2.669,337 5.191,338 3.131,339 2.158,340 2.843,342 6.144,343 2.094,344 3.249,345 2.346,346 5.099,347 2.906,348 1.956,349 2.503,351 5.708,352 1.851,353 3.131,354 2.195,355 4.783,356 2.748,357 1.769,358 2.208,360 4.936,361 1.717,362 2.985,363 1.84,364 4.398,365 2.646,366 1.655,367 2.059,369 4.138,370 1.627,371 2.602,372 1.632,373 3.648,374 2.521,375 1.545,376 1.597,378 3.043,379 1.499,380 2.558,381 1.214,382 3.528,383 2.057,384 1.087,385 1.527,386 2.647,387 1.047,388 2.5,389 1,390 3.327,391 2,392 1,393 1.5,394 2.136,395 1,396 1.783,397 0.919,398 3.247,399 1.758,400 0.779,401 0.781,402 1.289,403 0.761,404 1.556,405 0.818,406 3.039,407 1.343,408 0.421,409 0.454,411 0.822,412 0.386,413 1.393,414 0.764,415 2.77,416 0.947,417 -0.023,418 -0.024,420 -0.041,421 -0.022,422 1.052,423 0.13,424 2.653,425 0.878,426 -0.107,427 -0.139,429 -0.283,430 -0.104,431 0.904,432 -0.07,433 2.407,434 0.521,435 -0.485,436 -0.596,438 -1.02,439 -0.468,440 12.733,441 0.472,442 0.61,443 0.023,444 32.75,445 1.213,446 16.5,447 0.611,448 16.25,449 0.602,450 24.515,451 0.908,452 29.867,453 0.574,454 26.272,455 0.973,456 6.267,457 0.232,458 6.795,459 0.252,460 0.157,462 0.353,466 0.882,467 1.114,468 0.873,469 1.041,470 0.819,471 0.966,472 0.735,473 1.115,474 0.837,475 1.086,476 0.557,477 0.987,478 0.95,479 1.033,480 0.783,481 0.984,482 0.848,483 0.873,484 0.77,485 1.018,486 0.819,487 0.989,488 0.659,489 0.924,490 1.413,491 1.001,492 1.063,493 0.952,494 1.197,495 0.945,496 1.189,497 0.987,498 1.058,499 0.973,500 1.176,501 0.992,502 1.268,503 1.046,504 1.143,505 1.053,506 1.391,507 1.069,508 1.418,509 1.092,510 1.294,511 1.112,512 1.577,513 1.174,514 4.5,515 0.045,516 2.889,517 2.5,518 1.871,519 1.451,520 0.956,521 0.498,522 0.243,523 0.164,524 7337,525 18151,526 2.014,527 48.1,528 9,529 11,532 3,534 2,536 1.71,537 1.862,538 3.207,539 0.872,541 1,545 74.219,546 1.427,547 3.537,548 4.512,549 5.042,550 5.21,551 5.21,552 2.656,553 4.31,554 4.72,555 3.342,556 1173.21,557 8.249,558 14518,560 1,562 1,563 296.423,564 1.487,565 4.672,566 0.155,567 0.005,568 0.072,569 0.054,570 0.039,571 0.033,572 0.023,573 0.013,574 0.009,575 0.009,576 0.412,577 0.17,578 1,579 1.609,580 130.848,581 -0.085,582 0.05,583 0.01,584 0.066,585 -0.096,586 0.057,587 -0.004,588 -0.01,589 0.069,590 -0.03,591 0.053,592 0.027,594 -0.016,595 0.181,596 0.024,597 -0.001,598 0.119,599 0.458,600 -0.005,601 0.186,602 -0.009,603 0.376,604 0.033,605 -0.173,606 0.004,607 -0.053,608 0.018,609 -0.115,610 0.006,611 -0.001,612 0.009,613 -0.055,615 0.03,616 -0.035,617 -0.16,618 -0.049,619 -0.151,620 -0.078,621 -0.122,622 -0.106,623 -0.219,624 -0.131,625 -0.287,626 -0.147,627 -0.222,628 -0.218,629 2.003,630 5.706,631 0.593,632 23.791,633 1,634 1.122,635 3.396,636 11.532,637 0.653,638 3.401,639 3.714,640 4.025,641 4.344,642 4.595,643 4.754,644 4.868,645 4.963,646 5.011,647 4.984,648 5.662,649 0.619,650 367.48,651 3.401,652 4.934,653 5.796,654 6.691,655 7.58,656 8.491,657 9.393,658 10.311,659 11.219,660 12.142,661 1.9,663 1,675 6,680 6,682 12,686 1,696 2,697 1,699 52,700 14,701 2,702 29,704 54,705 22,706 12,707 6,708 6,709 3,710 3,711 4,715 1,719 5,721 15,722 7,724 2,728 1,729 1,731 2,733 1,736 25,737 5,738 3,739 5,743 1,747 0.667,748 4,760 3,763 1,770 2,773 1,777 2,781 2,785 27,788 2,789 4,790 1,791 1,793 1,801 7.7,803 2,804 1,806 1,808 14.5,809 9.65,810 6.194,811 3.378,812 2.631,813 1.36,814 0.923,815 6.194,816 9.948,817 3.638,818 4.205,819 4.8,820 5.388,821 5.925,822 6.244,823 6.574,824 6.93,825 7.252,826 7.501,827 0.857,828 46,829 10.082,831 4.344,832 7.858,833 19.054,835 15.59,837 2.358,838 63.667,840 1,841 1,842 258.964,843 118.87,844 18.011,846 121.512,849 118.87,850 380.476,851 18.011,852 17.222,853 10.138,854 84.344,855 120.889,856 25.8,858 258.964,860 258.964,861 136.881,862 121.512,865 235.422,866 145.054,869 36.974,870 85.187,871 14.72,873 258.964,874 139.522,875 118.87,878 258.964,879 35.315,880 83.555,881 18.011,882 121.512,883 258.964,884 139.522,885 118.87,887 0.567,888 0.344,889 0.2,890 0.112,891 18,892 9,893 0.13,894 7,895 1,896 1.125,897 3.663,898 235.842,899 0.125,900 16,901 124.382,904 19.463,905 8.593,906 4.019,908 139.522,909 10.535,914 1.244,916 103.377,917 517.357,918 37,922 12.706,923 1.379,925 0.069,926 52.014,927 58.318,928 0.25,929 0.62,930 0.792,931 0.884,932 0.914,933 0.914,934 4.875,935 1.545,936 5.784,937 4.138,938 4.394,939 4.89,940 1.207,941 6.642,942 4.345,943 6.076,944 1.087,945 7.37,946 3.043,947 4.007,948 4.718,950 7.667,951 3.928,952 7.391,953 1,954 9.064,955 2.647,956 6.014,957 7.069,958 0.903,959 10.834,960 5.921,961 8.745,962 0.779,963 10.824,964 2.136,965 6.479,966 7.736,968 12.713,969 6.356,970 10.136,971 0.421,972 12.626,973 1.289,974 7.956,975 9.573,976 0.678,977 15.409,978 7.82,979 11.553,980 -0.023,981 14.457,982 0.822,983 8.817,984 10.637,986 17.635,987 8.65,988 12.991,989 -0.107,990 16.309,991 -0.041,992 10.095,993 12.262,994 0.512,995 20.176,996 9.911,997 3.331,998 -0.485,999 18.177,1000 -0.283,1001 11.137,1002 13.523,1004 22.548,1005 10.923,1006 2.845,1007 12.048,1008 20.056,1009 -1.02,1010 12.345,1011 15.055,1012 0.387,1013 25.041,1014 12.109,1015 2.665,1016 9.525,1017 21.946,1018 4.375,1019 13.466,1020 16.416,1022 27.475,1023 13.202,1024 2.158,1025 8.903,1026 23.843,1027 3.735,1028 14.653,1029 17.909,1030 0.293,1031 29.956,1032 14.365,1033 1.956,1034 6.144,1035 25.748,1036 3.33,1037 15.811,1038 19.321,1040 32.417,1041 15.495,1042 1.769,1043 5.708,1044 27.657,1045 2.843,1046 16.996,1047 20.797,1048 0.221,1049 34.898,1050 16.654,1051 1.655,1052 4.936,1053 29.572,1054 2.503,1055 18.172,1056 22.237,1058 37.372,1059 17.803,1060 7373,1061 11805,1062 18.898,1063 33.961,1064 42.998,1065 44.191,1066 45.341,1067 42.447,1068 42.422,1069 53.824,1070 3.035,1071 122.677,1072 41.29,1073 5.568,1074 5.702,1075 6.945,1076 5.406,1077 5.331,1078 7.375,1079 1.72,1080 19.622,1081 5.248,1082 14.607,1083 1.483,1084 1.524,1085 1.563,1086 1.464,1087 1.463,1088 1.856,1089 0.105,1090 4.23,1091 1.424,1092 4.051,1093 4.059,1094 4.021,1095 3.965,1096 7.428,1097 3.976,1098 3.872,1099 3.901,1100 3.809,1101 3.814,1102 6.491,1103 3.81,1104 3.729,1105 3.786,1106 3.586,1107 3.602,1108 6.445,1109 3.588,1110 3.533,1111 3.6,1112 3.417,1113 3.38,1114 4.859,1115 3.383,1116 3.41,1117 3.439,1118 3.291,1119 3.251,1120 4.628,1121 3.251,1122 3.224,1123 3.331,1124 2.967,1125 2.995,1126 4.351,1127 2.974,1128 3.039,1129 3.067,1130 2.958,1131 2.843,1132 4.143,1133 2.859,1134 2.886,1135 2.939,1136 2.754,1137 2.736,1138 4.045,1139 2.729,1140 0.161,1141 0.128,1142 0.243,1143 0.148,1144 0.115,1145 4.669,1146 0.151,1147 3.702,1148 0.03,1149 7.035,1150 0.415,1151 4.306,1152 0.112,1153 3.331,1154 4.375,1155 0.86,1156 12.048,1157 3.248,1158 1.981,1159 1.974,1160 2.067,1161 2.086,1162 1.381,1163 2.075,1164 1.876,1165 1.851,1166 2.022,1167 1.968,1168 1.183,1169 1.987,1170 1.733,1171 1.677,1172 1.933,1173 1.888,1174 1.093,1175 1.91,1176 1.513,1177 1.457,1178 1.76,1179 1.732,1180 0.938,1181 1.746,1182 1.368,1183 1.332,1184 1.621,1185 1.545,1186 0.706,1187 1.556,1188 1.241,1189 1.134,1190 1.514,1191 1.507,1192 0.582,1193 1.529,1194 0.982,1195 0.934,1196 1.328,1197 1.231,1198 0.501,1199 1.256,1200 0.886,1201 0.824,1202 1.181,1203 1.104,1204 0.228,1205 1.107,1206 4.078,1208 5.389,1210 6.921,1212 8.566,1214 10.277,1216 3.945,1221 20.785,1222 3.934,1223 3.205,1224 6.051,1226 -0.186,1231 32.202,1232 74.219,1233 183.903,1234 234.648,1235 262.158,1236 270.913,1237 270.913,1238 70.565,1239 7.317,1240 82.7,1241 82.7,1242 18,1243 12.652,1244 3.907,1245 3.17,1246 46.506,1247 87,1248 119,1249 0.259,1250 198.982,1251 355.32,1252 477.276,1253 13065,1255 19.389,1256 0.718,1257 0.58,1258 19.389,1259 15.658,1260 13.062,1261 0.45,1262 0.321,1263 9.219,1264 12.663,1265 8.974,1266 7.527,1267 13.062,1268 9.318,1269 11.28,1270 0.282,1271 0.168,1272 11.28,1273 6.711,1274 9.517,1275 0.173,1276 0.088,1277 9.517,1278 4.849,1279 8.509,1280 0.112,1281 0.045,1282 8.509,1283 3.434,1284 6.614,1285 0.067,1286 0.024,1287 6.614,1288 2.33,1289 0.391,1290 81.479,1291 0.23,1292 25.317,1293 0.763,1294 138,1295 398.103,1296 149.906,1297 382.89,1298 519.95,1299 356,1300 164,1301 382.096,1302 176.462,1303 385.614,1304 569.64,1305 364,1306 5} {0 CHEMBL2029623,1 1.427,2 9.778,3 4.409,4 19.441,5 106.428,6 7.067,7 0.414,8 4.03,9 4.138,10 3.531,11 3.569,12 5.154,13 3.54,14 4.549,15 4.715,16 3.879,17 3.952,18 5.606,19 3.901,20 4.85,21 5.052,22 4.046,23 4.101,24 5.885,25 4.047,26 4.935,27 5.124,28 4.15,29 4.123,30 6.224,31 4.073,32 4.986,33 5.188,34 4.038,35 4.154,36 6.061,37 4.088,38 4.996,39 5.203,40 4.013,41 4.156,42 6.16,43 4.072,44 4.961,45 5.174,46 3.897,47 4.114,48 6.068,49 4.016,50 4.925,51 5.145,52 3.685,53 4.011,54 6.022,55 3.884,56 0.048,57 0.679,58 11.341,59 5.206,60 12.643,61 6.575,62 0.073,63 1.102,64 20.085,65 8.536,66 19.221,67 11.276,68 0.193,69 1.383,70 28.802,71 11.088,72 38.425,73 14.776,74 0.829,75 1.46,76 32.233,77 11.488,78 105.978,79 15.38,80 0.434,81 1.536,82 34.079,83 11.923,84 68.446,85 15.677,86 0.611,87 1.543,88 34.572,89 12.26,90 96.738,91 16.322,92 0.398,93 1.497,94 33.176,95 11.912,96 76.837,97 15.876,98 0.459,99 1.398,100 32.564,101 11.46,102 89.03,103 15.208,104 34,105 40,106 0.24,107 0.594,108 0.758,109 0.847,110 0.875,111 0.875,112 3.341,113 0.964,114 -4.63,115 -4.55,116 -4.28,119 42.3,120 1,121 4,123 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 10,162 6,166 6,168 15,172 2,176 1,178 8,181 1,182 7,185 4,186 2,187 7,190 10,194 4,199 2,202 8,206 4,209 2,210 1,211 8,213 10,217 3,222 8,224 10,229 2,234 8,237 10,242 1,247 4,250 8,255 1171,256 18.345,257 18.345,258 18.345,259 18.345,260 18.345,261 16.524,262 16.616,263 11.029,264 18.561,265 14.22,266 14.22,267 14.22,268 14.22,269 14.22,270 11.406,271 23.102,272 5.096,273 14.561,274 4.273,275 2.164,276 1.188,277 0.659,278 0.491,279 0.491,280 4.02,284 1,285 551,286 3.464,289 215.617,292 115.63,295 1.342,296 35.757,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 58.5,307 264,308 4.669,309 3.702,310 7.035,311 4.306,312 3.331,313 4.375,314 0.86,315 12.048,316 3.248,317 4.197,318 3.306,319 6.353,320 3.826,321 2.845,322 3.735,323 0.657,324 9.525,325 2.791,326 3.95,327 2.973,328 6.115,329 3.651,330 2.665,331 3.33,333 8.903,334 2.625,335 3.512,336 2.669,337 5.191,338 3.131,339 2.158,340 2.843,342 6.144,343 2.094,344 3.249,345 2.346,346 5.099,347 2.906,348 1.956,349 2.503,351 5.708,352 1.851,353 3.131,354 2.195,355 4.783,356 2.748,357 1.769,358 2.208,360 4.936,361 1.717,362 2.985,363 1.84,364 4.398,365 2.646,366 1.655,367 2.059,369 4.138,370 1.627,371 2.602,372 1.632,373 3.648,374 2.521,375 1.545,376 1.597,378 3.043,379 1.499,380 2.558,381 1.214,382 3.528,383 2.057,384 1.087,385 1.527,386 2.647,387 1.047,388 2.5,389 1,390 3.327,391 2,392 1,393 1.5,394 2.136,395 1,396 1.783,397 0.919,398 3.247,399 1.758,400 0.779,401 0.781,402 1.289,403 0.761,404 1.556,405 0.818,406 3.039,407 1.343,408 0.421,409 0.454,411 0.822,412 0.386,413 1.393,414 0.764,415 2.77,416 0.947,417 -0.023,418 -0.024,420 -0.041,421 -0.022,422 1.052,423 0.13,424 2.653,425 0.878,426 -0.107,427 -0.139,429 -0.283,430 -0.104,431 0.904,432 -0.07,433 2.407,434 0.521,435 -0.485,436 -0.596,438 -1.02,439 -0.468,440 12.733,441 0.472,442 0.61,443 0.023,444 32.75,445 1.213,446 16.5,447 0.611,448 16.25,449 0.602,450 24.515,451 0.908,452 29.867,453 0.574,454 26.272,455 0.973,456 6.267,457 0.232,458 6.795,459 0.252,460 0.157,462 0.353,466 0.882,467 1.114,468 0.873,469 1.041,470 0.819,471 0.966,472 0.735,473 1.115,474 0.837,475 1.086,476 0.557,477 0.987,478 0.95,479 1.033,480 0.783,481 0.984,482 0.848,483 0.873,484 0.77,485 1.018,486 0.819,487 0.989,488 0.659,489 0.924,490 1.413,491 1.001,492 1.063,493 0.952,494 1.197,495 0.945,496 1.189,497 0.987,498 1.058,499 0.973,500 1.176,501 0.992,502 1.268,503 1.046,504 1.143,505 1.053,506 1.391,507 1.069,508 1.418,509 1.092,510 1.294,511 1.112,512 1.577,513 1.174,514 4.5,515 0.045,516 2.889,517 2.5,518 1.871,519 1.451,520 0.956,521 0.498,522 0.243,523 0.164,524 7337,525 18151,526 2.014,527 48.1,528 9,529 11,532 3,534 2,536 1.71,537 1.862,538 3.207,539 0.872,541 1,545 74.219,546 1.427,547 3.537,548 4.512,549 5.042,550 5.21,551 5.21,552 2.656,553 4.31,554 4.72,555 3.342,556 1173.21,557 8.249,558 14518,560 1,562 1,563 296.423,564 1.487,565 4.672,566 0.155,567 0.005,568 0.072,569 0.054,570 0.039,571 0.033,572 0.023,573 0.013,574 0.009,575 0.009,576 0.412,577 0.17,578 1,579 1.609,580 130.848,581 -0.085,582 0.05,583 0.01,584 0.066,585 -0.096,586 0.057,587 -0.004,588 -0.01,589 0.069,590 -0.03,591 0.053,592 0.027,594 -0.016,595 0.181,596 0.024,597 -0.001,598 0.119,599 0.458,600 -0.005,601 0.186,602 -0.009,603 0.376,604 0.033,605 -0.173,606 0.004,607 -0.053,608 0.018,609 -0.115,610 0.006,611 -0.001,612 0.009,613 -0.055,615 0.03,616 -0.035,617 -0.16,618 -0.049,619 -0.151,620 -0.078,621 -0.122,622 -0.106,623 -0.219,624 -0.131,625 -0.287,626 -0.147,627 -0.222,628 -0.218,629 2.003,630 5.706,631 0.593,632 23.791,633 1,634 1.122,635 3.396,636 11.532,637 0.653,638 3.401,639 3.714,640 4.025,641 4.344,642 4.595,643 4.754,644 4.868,645 4.963,646 5.011,647 4.984,648 5.662,649 0.619,650 367.48,651 3.401,652 4.934,653 5.796,654 6.691,655 7.58,656 8.491,657 9.393,658 10.311,659 11.219,660 12.142,661 1.9,663 1,675 6,680 6,682 12,686 1,696 2,697 1,699 52,700 14,701 2,702 29,704 54,705 22,706 12,707 6,708 6,709 3,710 3,711 4,715 1,719 5,721 15,722 7,724 2,728 1,729 1,731 2,733 1,736 25,737 5,738 3,739 5,743 1,747 0.667,748 4,760 3,763 1,770 2,773 1,777 2,781 2,785 27,788 2,789 4,790 1,791 1,793 1,801 7.7,803 2,804 1,806 1,808 14.5,809 9.65,810 6.194,811 3.378,812 2.631,813 1.36,814 0.923,815 6.194,816 9.948,817 3.638,818 4.205,819 4.8,820 5.388,821 5.925,822 6.244,823 6.574,824 6.93,825 7.252,826 7.501,827 0.857,828 46,829 10.082,831 4.344,832 7.858,833 19.054,835 15.59,837 2.358,838 63.667,840 1,841 1,842 258.964,843 118.87,844 18.011,846 121.512,849 118.87,850 380.476,851 18.011,852 17.222,853 10.138,854 84.344,855 120.889,856 25.8,858 258.964,860 258.964,861 136.881,862 121.512,865 235.422,866 145.054,869 36.974,870 85.187,871 14.72,873 258.964,874 139.522,875 118.87,878 258.964,879 35.315,880 83.555,881 18.011,882 121.512,883 258.964,884 139.522,885 118.87,887 0.567,888 0.344,889 0.2,890 0.112,891 18,892 9,893 0.13,894 7,895 1,896 1.125,897 3.663,898 235.842,899 0.125,900 16,901 124.382,904 19.463,905 8.593,906 4.019,908 139.522,909 10.535,914 1.244,916 103.377,917 517.357,918 37,922 12.706,923 1.379,925 0.069,926 52.014,927 58.318,928 0.25,929 0.62,930 0.792,931 0.884,932 0.914,933 0.914,934 4.875,935 1.545,936 5.784,937 4.138,938 4.394,939 4.89,940 1.207,941 6.642,942 4.345,943 6.076,944 1.087,945 7.37,946 3.043,947 4.007,948 4.718,950 7.667,951 3.928,952 7.391,953 1,954 9.064,955 2.647,956 6.014,957 7.069,958 0.903,959 10.834,960 5.921,961 8.745,962 0.779,963 10.824,964 2.136,965 6.479,966 7.736,968 12.713,969 6.356,970 10.136,971 0.421,972 12.626,973 1.289,974 7.956,975 9.573,976 0.678,977 15.409,978 7.82,979 11.553,980 -0.023,981 14.457,982 0.822,983 8.817,984 10.637,986 17.635,987 8.65,988 12.991,989 -0.107,990 16.309,991 -0.041,992 10.095,993 12.262,994 0.512,995 20.176,996 9.911,997 3.331,998 -0.485,999 18.177,1000 -0.283,1001 11.137,1002 13.523,1004 22.548,1005 10.923,1006 2.845,1007 12.048,1008 20.056,1009 -1.02,1010 12.345,1011 15.055,1012 0.387,1013 25.041,1014 12.109,1015 2.665,1016 9.525,1017 21.946,1018 4.375,1019 13.466,1020 16.416,1022 27.475,1023 13.202,1024 2.158,1025 8.903,1026 23.843,1027 3.735,1028 14.653,1029 17.909,1030 0.293,1031 29.956,1032 14.365,1033 1.956,1034 6.144,1035 25.748,1036 3.33,1037 15.811,1038 19.321,1040 32.417,1041 15.495,1042 1.769,1043 5.708,1044 27.657,1045 2.843,1046 16.996,1047 20.797,1048 0.221,1049 34.898,1050 16.654,1051 1.655,1052 4.936,1053 29.572,1054 2.503,1055 18.172,1056 22.237,1058 37.372,1059 17.803,1060 7373,1061 11805,1062 18.898,1063 33.961,1064 42.998,1065 44.191,1066 45.341,1067 42.447,1068 42.422,1069 53.824,1070 3.035,1071 122.677,1072 41.29,1073 5.568,1074 5.702,1075 6.945,1076 5.406,1077 5.331,1078 7.375,1079 1.72,1080 19.622,1081 5.248,1082 14.607,1083 1.483,1084 1.524,1085 1.563,1086 1.464,1087 1.463,1088 1.856,1089 0.105,1090 4.23,1091 1.424,1092 4.051,1093 4.059,1094 4.021,1095 3.965,1096 7.428,1097 3.976,1098 3.872,1099 3.901,1100 3.809,1101 3.814,1102 6.491,1103 3.81,1104 3.729,1105 3.786,1106 3.586,1107 3.602,1108 6.445,1109 3.588,1110 3.533,1111 3.6,1112 3.417,1113 3.38,1114 4.859,1115 3.383,1116 3.41,1117 3.439,1118 3.291,1119 3.251,1120 4.628,1121 3.251,1122 3.224,1123 3.331,1124 2.967,1125 2.995,1126 4.351,1127 2.974,1128 3.039,1129 3.067,1130 2.958,1131 2.843,1132 4.143,1133 2.859,1134 2.886,1135 2.939,1136 2.754,1137 2.736,1138 4.045,1139 2.729,1140 0.161,1141 0.128,1142 0.243,1143 0.148,1144 0.115,1145 4.669,1146 0.151,1147 3.702,1148 0.03,1149 7.035,1150 0.415,1151 4.306,1152 0.112,1153 3.331,1154 4.375,1155 0.86,1156 12.048,1157 3.248,1158 1.981,1159 1.974,1160 2.067,1161 2.086,1162 1.381,1163 2.075,1164 1.876,1165 1.851,1166 2.022,1167 1.968,1168 1.183,1169 1.987,1170 1.733,1171 1.677,1172 1.933,1173 1.888,1174 1.093,1175 1.91,1176 1.513,1177 1.457,1178 1.76,1179 1.732,1180 0.938,1181 1.746,1182 1.368,1183 1.332,1184 1.621,1185 1.545,1186 0.706,1187 1.556,1188 1.241,1189 1.134,1190 1.514,1191 1.507,1192 0.582,1193 1.529,1194 0.982,1195 0.934,1196 1.328,1197 1.231,1198 0.501,1199 1.256,1200 0.886,1201 0.824,1202 1.181,1203 1.104,1204 0.228,1205 1.107,1206 4.078,1208 5.389,1210 6.921,1212 8.566,1214 10.277,1216 3.945,1221 20.785,1222 3.934,1223 3.205,1224 6.051,1226 -0.186,1231 32.202,1232 74.219,1233 183.903,1234 234.648,1235 262.158,1236 270.913,1237 270.913,1238 70.565,1239 7.317,1240 82.7,1241 82.7,1242 18,1243 12.652,1244 3.907,1245 3.17,1246 46.506,1247 87,1248 119,1249 0.259,1250 198.982,1251 355.32,1252 477.276,1253 13065,1255 19.389,1256 0.718,1257 0.58,1258 19.389,1259 15.658,1260 13.062,1261 0.45,1262 0.321,1263 9.219,1264 12.663,1265 8.974,1266 7.527,1267 13.062,1268 9.318,1269 11.28,1270 0.282,1271 0.168,1272 11.28,1273 6.711,1274 9.517,1275 0.173,1276 0.088,1277 9.517,1278 4.849,1279 8.509,1280 0.112,1281 0.045,1282 8.509,1283 3.434,1284 6.614,1285 0.067,1286 0.024,1287 6.614,1288 2.33,1289 0.391,1290 81.479,1291 0.23,1292 25.317,1293 0.763,1294 138,1295 398.103,1296 149.906,1297 382.89,1298 519.95,1299 356,1300 164,1301 382.096,1302 176.462,1303 385.614,1304 569.64,1305 364,1306 5} {0 CHEMBL2041749,1 1.581,2 6.545,3 3.321,4 11.029,5 81.324,6 8.767,7 0.731,8 3.675,9 3.771,10 3.394,11 3.303,12 4.859,13 3.314,14 4.193,15 4.31,16 3.855,17 3.758,18 5.404,19 3.761,20 4.393,21 4.528,22 3.91,23 3.86,24 5.602,25 3.847,26 4.462,27 4.621,28 3.943,29 3.872,30 5.761,31 3.859,32 4.415,33 4.575,34 3.828,35 3.762,36 5.705,37 3.746,38 4.296,39 4.476,40 3.467,41 3.511,42 5.599,43 3.469,44 4.039,45 4.255,46 2.983,47 3.172,48 5.236,49 3.077,50 3.687,51 3.946,52 2.116,53 2.595,54 4.82,55 2.434,56 0.059,57 0.493,58 4.523,59 2.537,60 5.486,61 2.661,62 0.176,63 0.822,64 8.716,65 4.551,66 15.871,67 5.191,68 0.255,69 0.989,70 11.835,71 5.841,72 24.465,73 6.425,74 0.326,75 1.053,76 14.257,77 6.36,78 47.101,79 7.442,80 0.252,81 0.987,82 13.644,83 6.245,84 29.295,85 7.117,86 0.351,87 0.867,88 13.383,89 5.291,90 42.552,91 5.385,92 0.238,93 0.629,94 12.138,95 4.885,96 37.743,97 5.698,98 0.248,99 0.453,100 9.683,101 3.244,102 33.424,103 3.582,104 10,105 41,106 0.282,107 0.659,108 0.791,109 0.864,110 0.875,111 0.875,112 3.151,113 0.814,114 -2.78,115 -2.8,116 -2.71,119 51.5,120 1,133 5,134 4,142 1,143 4,147 2,159 8,162 4,164 2,166 4,168 8,171 1,172 3,174 2,176 5,178 8,181 2,182 3,187 3,190 8,194 6,197 1,198 1,199 4,202 5,206 7,209 1,211 2,213 4,217 5,222 2,224 3,229 2,237 1,255 498,256 15.016,257 15.016,258 15.016,259 15.016,260 15.016,261 12.71,262 7.978,263 8.391,264 15.164,265 12.854,266 12.854,267 12.854,268 12.854,269 12.854,270 9.105,271 6.322,272 3.989,273 13.095,274 3.464,275 1.352,276 0.617,277 0.205,278 0.144,279 0.144,280 3.862,283 1,284 1,285 329,286 2.345,288 71.059,289 57.316,291 166.475,294 167.891,295 0.95,296 22.988,298 1,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 47.5,307 144,308 4.958,309 3.854,310 7.321,311 4.491,312 3.512,313 5.089,314 1.2,315 13.198,316 3.44,317 4.426,318 3.305,319 6.61,320 3.965,321 2.984,322 4.297,323 0.8,324 10.511,325 2.926,326 4.152,327 3.246,328 6.329,329 3.703,330 2.729,331 3.728,333 9.464,334 2.65,335 3.777,336 2.836,337 5.782,338 3.34,339 2.348,340 3.316,342 7.596,343 2.327,344 3.441,345 2.418,346 5.034,347 3.018,348 2.018,349 2.799,351 5.838,352 2.015,353 3.223,354 2.159,355 5,356 2.749,357 1.761,358 2.475,360 5.399,361 1.738,362 3.174,363 1.949,364 4.914,365 2.689,366 1.685,367 2.346,369 4.989,370 1.669,371 2.874,372 1.491,373 4.506,374 2.385,375 1.397,376 2.004,378 4.056,379 1.375,380 2.508,381 1.101,382 3.871,383 1.985,384 0.992,385 1.485,386 2.392,387 0.981,388 2.24,389 0.833,390 3.638,391 1.714,392 0.75,393 1.109,394 2.118,395 0.721,396 2.015,397 0.761,398 3.37,399 1.52,400 0.549,401 0.789,402 1.493,403 0.532,404 1.235,405 0.595,406 2.878,407 0.782,408 -0.212,409 -0.286,411 -0.562,412 -0.209,413 1,414 0.204,415 2.595,416 0.528,417 -0.5,418 -0.695,420 -1.301,421 -0.503,422 0.951,423 -0.124,424 2.401,425 0.495,426 -0.577,427 -0.838,429 -1.456,430 -0.614,431 0.623,432 -0.761,433 2.344,434 0.151,435 -0.834,436 -1.2,438 -2.386,439 -0.821,440 10.367,441 0.471,442 0.696,443 0.032,444 32.25,445 1.466,446 17,447 0.773,448 15.25,449 0.693,450 14.737,451 0.67,452 21.433,453 0.649,454 22.672,455 1.031,456 6.37,457 0.29,458 4.278,459 0.194,460 0.113,462 0.521,466 0.7,467 1.092,468 0.626,469 0.805,470 0.514,471 0.708,472 0.523,473 1.076,474 0.601,475 0.841,476 0.468,477 0.757,478 0.825,479 0.972,480 0.876,481 0.98,482 0.891,483 0.951,484 0.704,485 1.04,486 0.772,487 0.929,488 0.607,489 0.87,490 0.938,491 1.131,492 0.916,493 1.143,494 0.963,495 1.053,496 1.506,497 0.997,498 1.398,499 1.12,500 1.472,501 1.204,502 1.295,503 1.033,504 1.291,505 1.193,506 1.424,507 1.248,508 1.764,509 0.812,510 1.751,511 1.093,512 1.722,513 1.343,514 4,516 2.667,517 2.229,518 1.95,519 1.122,520 0.497,521 0.237,522 0.052,524 4392,525 12132,526 2.229,527 33.3,528 3,529 5,530 1,532 2,536 1.657,537 2.063,538 2.727,539 0.304,541 1,543 1,545 52.17,546 1.581,547 3.692,548 4.427,549 4.84,550 4.9,551 4.9,552 2.117,553 4.187,554 4.435,555 2.805,556 647.984,557 7.677,558 6640.8,559 1,560 1,561 1,562 1,563 166.465,564 1.423,565 4.387,566 0.154,568 0.065,569 0.053,570 0.045,571 0.03,572 0.021,573 0.017,574 0.013,576 0.398,577 0.67,578 0.88,579 0.595,580 95.656,581 -0.089,582 -0.044,583 0.032,584 0.048,585 -0.065,586 0.066,587 0.144,588 -0.053,589 0.138,590 0.045,591 0.066,592 0.075,593 0.031,594 0.022,595 -0.05,596 -0.062,597 -0.074,598 -0.076,599 0.155,600 -0.047,601 0.132,602 0.013,603 0.19,604 0.061,605 0.042,606 -0.167,607 0.021,608 -0.189,609 0.038,610 -0.113,611 -0.243,612 -0.004,613 -0.373,614 -0.161,615 -0.147,616 -0.257,617 -0.156,618 -0.161,619 -0.135,620 -0.131,621 -0.134,622 -0.135,623 -0.4,624 0.133,625 -0.455,626 -0.025,627 -0.267,628 -0.193,629 2.009,630 5.323,631 0.864,632 12.331,633 1.015,634 1.108,635 1.554,636 2.415,637 0.726,638 3.296,639 3.738,640 4.159,641 4.605,642 4.927,643 5.187,644 5.447,645 5.656,646 5.724,647 5.784,648 4.154,649 0.715,650 289.31,651 3.296,652 4.905,653 5.838,654 6.799,655 7.755,656 8.723,657 9.687,658 10.657,659 11.624,660 12.595,661 9.1,668 1,669 2,674 5,675 6,677 1,680 3,682 19,699 33,700 21,701 1,702 26,704 37,705 17,706 14,707 3,708 3,709 2,710 5,711 17,715 1,721 16,722 1,724 2,728 2,731 2,732 1,733 1,736 11,737 3,738 2,739 5,743 3,746 1,747 0.2,748 2,754 1,756 2,759 3,760 2,762 4,765 3,777 1,781 1,785 22,790 1,801 6.1,804 2,808 10.667,809 6.533,810 4.528,811 2,812 4.311,813 1.532,814 1.149,815 2.066,816 12.414,817 3.651,818 4.431,819 5.227,820 6.044,821 6.75,822 7.378,823 8.003,824 8.577,825 8.985,826 9.4,827 1,828 42,829 8.164,831 3.801,832 7.848,833 15.424,835 13.727,837 2.348,838 51.667,842 105.94,843 95.369,844 36.083,846 50.29,849 95.369,850 156.23,851 36.083,852 8.825,853 18.011,854 56.429,855 59.699,856 29.589,857 20.96,858 94.169,860 105.94,861 131.452,862 50.29,865 105.94,866 50.29,869 44.908,870 86.544,873 105.94,874 86.373,875 95.369,878 105.94,879 30.116,880 66.54,881 34.796,882 50.29,883 105.94,884 86.373,885 95.369,887 0.608,888 0.378,889 0.233,890 0.135,891 26,892 11,895 4,896 1.421,897 3.278,898 209.146,899 0.421,900 19,901 98.107,904 12.009,905 3.785,906 1.364,907 4.536,908 68.301,909 11.707,911 3.387,914 1.989,916 34.796,917 287.682,918 37.5,922 24.516,925 -0.673,926 33.494,927 36.575,928 0.313,929 0.732,930 0.878,931 0.959,932 0.971,933 0.971,934 4.933,935 1.397,936 5.878,937 4.989,938 4.419,939 5.118,940 1.641,941 6.836,942 4.382,943 6.221,944 0.992,945 7.521,946 4.056,947 4.205,948 5.231,950 7.978,951 4.158,952 7.598,953 0.75,954 9.264,955 2.392,956 6.146,957 7.575,958 1.786,959 11.197,960 6.067,961 9.017,962 0.549,963 11.065,964 2.118,965 6.758,966 8.534,968 13.19,969 6.662,970 10.469,971 -0.212,972 12.904,973 1.493,974 8.21,975 10.381,976 2.014,977 15.945,978 8.087,979 11.947,980 -0.5,981 14.771,982 -0.562,983 9.182,984 11.712,986 18.282,987 9.039,988 13.446,989 -0.577,990 16.657,991 -1.301,992 10.471,993 13.39,994 2.296,995 20.896,996 10.306,997 3.512,998 -0.834,999 18.56,1000 -1.456,1001 11.596,1002 14.883,1004 23.371,1005 11.41,1006 2.984,1007 13.198,1008 20.475,1009 -2.386,1010 12.838,1011 16.507,1012 2.61,1013 25.947,1014 12.631,1015 2.729,1016 10.511,1017 22.4,1018 5.089,1019 14.027,1020 18.069,1022 28.478,1023 13.8,1024 2.348,1025 9.464,1026 24.334,1027 4.297,1028 15.26,1029 19.68,1030 2.943,1031 31.046,1032 15.013,1033 2.018,1034 7.596,1035 26.275,1036 3.728,1037 16.478,1038 21.272,1040 33.602,1041 16.211,1042 1.761,1043 5.838,1044 28.223,1045 3.316,1046 17.714,1047 22.884,1048 3.287,1049 36.172,1050 17.426,1051 1.685,1052 5.399,1053 30.175,1054 2.799,1055 18.947,1056 24.49,1058 38.739,1059 18.639,1060 4080,1061 6901,1062 17.63,1063 23.972,1064 41.848,1065 43.296,1066 43.368,1067 41.375,1068 41.45,1069 58.872,1070 4,1071 134.109,1072 40.749,1073 5.799,1074 5.854,1075 6.792,1076 5.556,1077 5.512,1078 8.089,1079 2.4,1080 21.198,1081 5.44,1082 9.589,1083 1.61,1084 1.665,1085 1.668,1086 1.591,1087 1.594,1088 2.264,1089 0.154,1090 5.158,1091 1.567,1092 4.305,1093 4.335,1094 4.287,1095 4.212,1096 7.45,1097 4.227,1098 3.924,1099 3.96,1100 3.881,1101 3.824,1102 7.408,1103 3.833,1104 3.649,1105 3.673,1106 3.613,1107 3.487,1108 5.072,1109 3.51,1110 3.451,1111 3.511,1112 3.357,1113 3.304,1114 4.731,1115 3.315,1116 3.039,1117 3.098,1118 2.937,1119 2.904,1120 4.268,1121 2.897,1122 2.878,1123 2.917,1124 2.835,1125 2.648,1126 4.07,1127 2.652,1128 2.819,1129 2.861,1130 2.643,1131 2.568,1132 3.751,1133 2.621,1134 2.67,1135 2.724,1136 2.569,1137 2.413,1138 3.547,1139 2.452,1140 0.191,1141 0.148,1142 0.282,1143 0.173,1144 0.135,1145 4.958,1146 0.196,1147 3.854,1148 0.046,1149 7.321,1150 0.508,1151 4.491,1152 0.132,1153 3.512,1154 5.089,1155 1.2,1156 13.198,1157 3.44,1158 2.011,1159 1.996,1160 2.069,1161 2.092,1162 1.284,1163 2.075,1164 1.899,1165 1.865,1166 1.959,1167 2.028,1168 1.125,1169 2.022,1170 1.526,1171 1.486,1172 1.683,1173 1.69,1174 0.738,1175 1.678,1176 1.335,1177 1.303,1178 1.566,1179 1.607,1180 0.658,1181 1.563,1182 1.276,1183 1.216,1184 1.4,1185 1.494,1186 0.412,1187 1.515,1188 1.017,1189 0.978,1190 1.183,1191 1.217,1192 0.229,1193 1.212,1194 0.983,1195 0.951,1196 1.158,1197 1.206,1198 0.161,1199 1.189,1200 0.76,1201 0.679,1202 1,1203 1.005,1204 0.058,1205 1.01,1206 3.97,1208 5.38,1209 3.434,1210 6.984,1211 5.861,1212 8.689,1213 8.032,1214 10.455,1216 2.013,1223 2.413,1231 23.601,1232 52.17,1233 121.836,1234 146.1,1235 159.71,1236 161.71,1237 161.71,1238 31.402,1239 8.103,1240 70.13,1241 70.13,1242 27,1243 13.072,1244 4.459,1245 3.644,1246 26.575,1247 56,1248 55,1249 0.252,1250 138.902,1251 224.08,1252 330.681,1253 33595,1255 15.008,1256 0.682,1257 0.533,1258 15.008,1259 11.728,1260 10.648,1261 0.41,1262 0.271,1263 6.972,1264 10.303,1265 6.812,1266 5.596,1267 10.648,1268 7.057,1269 10.423,1270 0.254,1271 0.139,1272 10.423,1273 5.694,1274 9.49,1275 0.151,1276 0.069,1277 9.49,1278 4.356,1279 9.137,1280 0.092,1281 0.035,1282 9.137,1283 3.445,1284 7.813,1285 0.057,1286 0.018,1287 7.813,1288 2.458,1289 0.363,1290 66.396,1291 0.238,1292 20.405,1293 0.808,1294 134,1295 375.782,1296 145.284,1297 367.71,1298 518.76,1299 344,1300 171,1301 401.653,1302 183.257,1303 407.54,1304 615.55,1305 386,1306 5.081} {0 CHEMBL2041912,1 1.645,2 7.261,3 2.818,4 7.943,5 82.746,6 8.98,7 0.704,8 3.716,9 3.804,10 3.448,11 3.299,12 4.93,13 3.33,14 4.231,15 4.338,16 3.892,17 3.742,18 5.469,19 3.766,20 4.398,21 4.52,22 3.959,23 3.847,24 5.636,25 3.858,26 4.456,27 4.584,28 3.996,29 3.884,30 5.8,31 3.89,32 4.493,33 4.657,34 3.894,35 3.793,36 5.774,37 3.785,38 4.347,39 4.519,40 3.583,41 3.526,42 5.657,43 3.513,44 4.1,45 4.284,46 3.208,47 3.193,48 5.403,49 3.15,50 3.749,51 3.969,52 2.673,53 2.707,54 4.986,55 2.635,56 0.102,57 0.513,58 4.411,59 2.669,60 6.21,61 2.581,62 0.299,63 0.842,64 9.108,65 4.686,66 20.448,67 4.725,68 0.366,69 0.986,70 11.476,71 5.773,72 30.029,73 5.782,74 0.39,75 1.046,76 11.992,77 6.043,78 44.65,79 6.347,80 0.398,81 1.049,82 15.072,83 6.859,84 34.762,85 7.847,86 0.451,87 0.876,88 14.133,89 5.689,90 47.28,91 5.742,92 0.486,93 0.654,94 12.006,95 4.626,96 46.343,97 4.944,98 0.335,99 0.439,100 9.909,101 3.609,102 33.126,103 4.231,104 11,105 42,106 0.292,107 0.671,108 0.797,109 0.868,110 0.879,111 0.879,112 3.192,113 0.797,114 -2.28,115 -2.32,116 -2.28,119 50,123 1,133 5,134 3,135 1,142 1,143 4,147 2,159 5,162 6,164 2,166 4,168 4,171 1,172 5,174 2,176 5,178 5,181 2,182 4,187 2,190 6,194 7,197 2,198 1,199 3,202 4,206 5,209 1,211 1,213 3,216 2,217 3,220 1,222 1,224 1,228 1,229 2,255 593,256 15.886,257 15.886,258 15.886,259 15.886,260 15.886,261 13.632,262 9.866,263 8.894,264 16.213,265 13.281,266 13.281,267 13.281,268 13.281,269 13.281,270 9.528,271 9.502,272 4.137,273 13.711,274 3.443,275 1.313,276 0.599,277 0.199,278 0.14,279 0.14,280 3.904,283 1,284 1,285 380,286 2.55,288 77.095,289 61.719,291 180.246,294 182.367,295 1.055,296 26.472,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 50.5,307 167,308 4.958,309 3.854,310 7.322,311 4.491,312 3.512,313 5.089,314 1.2,315 13.198,316 3.44,317 4.429,318 3.308,319 6.612,320 3.967,321 2.989,322 4.299,323 0.86,324 10.519,325 2.921,326 4.152,327 3.249,328 6.329,329 3.704,330 2.73,331 3.728,332 0.8,333 9.465,334 2.648,335 3.81,336 2.9,337 5.794,338 3.364,339 2.409,340 3.339,342 7.692,343 2.305,344 3.481,345 2.622,346 5.226,347 3.045,348 2.069,349 2.843,351 6.426,352 2.004,353 3.224,354 2.162,355 5,356 2.749,357 1.762,358 2.481,360 5.434,361 1.738,362 3.181,363 1.994,364 4.983,365 2.695,366 1.693,367 2.349,369 5.004,370 1.67,371 2.876,372 1.501,373 4.517,374 2.386,375 1.399,376 2.005,378 4.083,379 1.376,380 2.508,381 1.114,382 3.873,383 1.985,384 0.992,385 1.485,386 2.393,387 0.981,388 2.25,389 1.094,390 3.638,391 1.73,392 0.783,393 1.129,394 2.129,395 0.738,396 2.045,397 0.832,398 3.373,399 1.576,400 0.634,401 0.857,402 1.565,403 0.592,404 1.595,405 0.73,406 2.951,407 1.252,408 0.354,409 0.433,411 0.621,412 0.316,413 1.134,414 0.538,415 2.759,416 0.646,417 -0.352,418 -0.496,420 -0.909,421 -0.343,422 1,423 0.171,424 2.544,425 0.518,426 -0.545,427 -0.763,429 -1.304,430 -0.552,431 0.843,432 -0.313,433 2.383,434 0.365,435 -0.631,436 -0.919,438 -1.657,439 -0.645,440 10.7,441 0.465,442 0.658,443 0.029,444 33.75,445 1.467,446 17.5,447 0.761,448 16.25,449 0.707,450 15.055,451 0.655,452 22.9,453 0.674,454 24.627,455 1.071,456 6.814,457 0.296,458 4.372,459 0.19,460 0.109,462 0.505,466 0.766,467 1.158,468 0.611,469 0.879,470 0.533,471 0.731,472 0.813,473 1.043,474 0.663,475 0.784,476 0.545,477 0.708,478 0.924,479 0.929,480 0.848,481 0.898,482 0.933,483 0.865,484 0.754,485 1.135,486 0.849,487 1.028,488 0.666,489 0.97,490 0.797,491 1.083,492 0.864,493 1.127,494 0.918,495 1.044,496 1.342,497 1.043,498 1.242,499 1.117,500 1.43,501 1.141,502 1.188,503 0.903,504 1.323,505 1.125,506 1.398,507 1.233,508 1.171,509 1.021,510 1.223,511 1.174,512 1.046,513 1.219,514 4,516 2.667,517 2.229,518 1.99,519 1.185,520 0.553,521 0.284,522 0.128,523 0.025,524 4967,525 14927,526 2.218,527 32.4,529 8,530 1,532 2,536 1.668,537 2.06,538 2.834,539 0.321,541 1,543 1,545 55.923,546 1.645,547 3.775,548 4.489,549 4.889,550 4.948,551 4.948,552 2.225,553 4.089,554 4.496,555 2.926,556 740.206,557 7.798,558 7782.55,559 1,560 1,561 1,562 1,563 172.974,564 1.422,565 4.453,566 0.148,568 0.063,569 0.051,570 0.044,571 0.03,572 0.02,573 0.017,574 0.014,575 0.008,576 0.397,577 0.5,578 0.88,579 0.777,580 102.228,581 -0.102,582 -0.096,583 0.034,584 -0.002,585 -0.066,586 0.046,587 -0.006,588 -0.007,589 0.085,590 0.123,591 0.027,592 0.121,593 -0.054,594 0.084,595 -0.04,596 0.028,597 -0.088,599 0.054,600 -0.12,601 -0.034,602 -0.105,603 0.14,604 -0.092,605 0.085,606 -0.123,607 0.102,608 -0.152,609 0.045,610 -0.056,611 -0.193,612 -0.083,613 -0.197,614 -0.143,615 -0.134,616 -0.159,617 0.065,618 0.017,619 -0.191,620 -0.116,621 -0.102,622 -0.196,623 0.084,624 -0.18,625 0.063,626 -0.097,627 0.086,628 -0.043,629 2.037,630 5.361,631 0.826,632 14.034,633 1.024,634 1.111,635 1.05,636 1.103,637 0.718,638 3.332,639 3.761,640 4.19,641 4.625,642 4.949,643 5.22,644 5.485,645 5.7,646 5.787,647 5.866,648 4.405,649 0.715,650 305.31,651 3.332,652 4.934,653 5.866,654 6.823,655 7.779,656 8.744,657 9.708,658 10.676,659 11.643,660 12.613,661 8.8,668 1,669 2,674 5,675 6,677 1,680 3,682 19,697 1,699 34,700 21,701 1,702 27,704 38,705 17,706 14,707 3,708 3,709 2,710 5,711 17,721 16,722 1,724 2,728 2,731 2,732 1,733 1,736 11,737 4,738 2,739 6,743 3,746 1,747 0.2,748 3,754 1,756 2,759 3,760 2,762 4,765 3,777 1,781 1,785 23,790 1,791 1,801 8.8,804 2,806 1,808 11.167,809 6.7,810 4.861,811 1.958,812 4.303,813 1.525,814 1.124,815 2.362,816 12.503,817 3.676,818 4.443,819 5.243,820 6.055,821 6.762,822 7.397,823 8.025,824 8.602,825 9.023,826 9.45,827 0.8,828 44,829 8.521,831 3.933,832 7.899,833 15.958,835 13.971,837 2.399,838 55.167,842 105.94,843 99.485,844 36.083,846 61.29,849 99.485,850 167.23,851 36.083,852 10.883,853 18.011,854 56.429,855 59.699,856 42.647,857 20.96,858 94.169,860 105.94,861 135.568,862 61.29,865 105.94,866 61.29,869 36.083,870 99.485,873 105.94,874 97.373,875 99.485,878 105.94,879 32.173,880 68.598,881 34.796,882 61.29,883 105.94,884 97.373,885 99.485,887 0.6,888 0.38,889 0.231,890 0.133,891 26,892 11,893 0.026,894 1,895 4,896 1.421,897 3.366,898 220.216,899 0.421,900 19,901 104.042,904 12.875,905 4.22,906 1.504,907 4.206,908 79.3,909 11.22,911 3.356,914 1.492,916 34.796,917 302.798,918 38.5,922 24.586,925 -0.736,926 34.822,927 37.784,928 0.323,929 0.742,930 0.882,931 0.961,932 0.973,933 0.973,934 4.954,935 1.399,936 5.9,937 5.004,938 4.443,939 5.13,940 1.893,941 6.855,942 4.388,943 6.235,944 0.992,945 7.542,946 4.083,947 4.205,948 5.231,950 7.997,951 4.139,952 7.609,953 0.783,954 9.283,955 2.393,956 6.168,957 7.582,958 1.955,959 11.21,960 6.065,961 9.027,962 0.634,963 11.083,964 2.129,965 6.77,966 8.538,968 13.2,969 6.651,970 10.479,971 0.354,972 12.92,973 1.565,974 8.227,975 10.386,976 2.117,977 15.952,978 8.082,979 11.957,980 -0.352,981 14.785,982 0.621,983 9.193,984 11.716,986 18.286,987 9.031,988 13.455,989 -0.545,990 16.67,991 -0.909,992 10.483,993 13.393,994 2.355,995 20.9,996 10.3,997 3.512,998 -0.631,999 18.571,1000 -1.304,1001 11.605,1002 14.885,1004 23.373,1005 11.404,1006 2.989,1007 13.198,1008 20.484,1009 -1.657,1010 12.846,1011 16.509,1012 2.642,1013 25.949,1014 12.625,1015 2.73,1016 10.519,1017 22.408,1018 5.089,1019 14.034,1020 18.07,1022 28.479,1023 13.795,1024 2.409,1025 9.465,1026 24.341,1027 4.299,1028 15.266,1029 19.682,1030 2.96,1031 31.048,1032 15.007,1033 2.069,1034 7.692,1035 26.281,1036 3.728,1037 16.484,1038 21.274,1040 33.603,1041 16.206,1042 1.762,1043 6.426,1044 28.227,1045 3.339,1046 17.719,1047 22.885,1048 3.296,1049 36.173,1050 17.421,1051 1.693,1052 5.434,1053 30.179,1054 2.843,1055 18.951,1056 24.491,1058 38.74,1059 18.634,1060 4643,1061 8155,1062 18.323,1063 24.426,1064 42.798,1065 44.745,1066 44.889,1067 42.513,1068 42.652,1069 60.071,1070 5.72,1071 137.059,1072 41.457,1073 5.8,1074 5.854,1075 6.869,1076 5.556,1077 5.512,1078 8.089,1079 2.4,1080 21.198,1081 5.44,1082 10.039,1083 1.585,1084 1.657,1085 1.663,1086 1.575,1087 1.58,1088 2.225,1089 0.212,1090 5.076,1091 1.535,1092 4.304,1093 4.333,1094 4.287,1095 4.208,1096 7.45,1097 4.224,1098 3.918,1099 3.95,1100 3.879,1101 3.807,1102 7.408,1103 3.82,1104 3.649,1105 3.673,1106 3.613,1107 3.483,1108 5.085,1109 3.509,1110 3.436,1111 3.475,1112 3.36,1113 3.24,1114 4.803,1115 3.266,1116 3.133,1117 3.206,1118 2.974,1119 2.915,1120 4.537,1121 2.916,1122 2.943,1123 3.002,1124 2.858,1125 2.761,1126 4.098,1127 2.757,1128 2.867,1129 2.862,1130 2.786,1131 2.571,1132 3.971,1133 2.638,1134 2.671,1135 2.726,1136 2.572,1137 2.459,1138 3.692,1139 2.461,1140 0.184,1141 0.143,1142 0.271,1143 0.166,1144 0.13,1145 4.958,1146 0.188,1147 3.854,1148 0.044,1149 7.322,1150 0.489,1151 4.491,1152 0.127,1153 3.512,1154 5.089,1155 1.2,1156 13.198,1157 3.44,1158 2,1159 1.987,1160 2.037,1161 2.091,1162 1.271,1163 2.068,1164 1.882,1165 1.851,1166 1.947,1167 2.017,1168 1.087,1169 2.006,1170 1.524,1171 1.485,1172 1.681,1173 1.69,1174 0.732,1175 1.676,1176 1.32,1177 1.294,1178 1.576,1179 1.607,1180 0.581,1181 1.564,1182 1.236,1183 1.179,1184 1.401,1185 1.536,1186 0.419,1187 1.538,1188 1.058,1189 1.013,1190 1.23,1191 1.295,1192 0.305,1193 1.286,1194 1.013,1195 0.962,1196 1.183,1197 1.214,1198 0.164,1199 1.2,1200 0.821,1201 0.778,1202 1,1203 1.025,1204 0.07,1205 1.016,1206 4.007,1208 5.407,1209 3.434,1210 7.008,1211 5.861,1212 8.71,1213 8.032,1214 10.474,1216 1.599,1223 2.396,1224 5.294,1231 24.316,1232 55.923,1233 128.345,1234 152.609,1235 166.219,1236 168.219,1237 168.219,1238 33.879,1239 8.2,1240 79.36,1241 79.36,1242 27,1243 13.091,1244 4.459,1245 3.644,1246 28.269,1247 61,1248 72,1249 0.242,1250 142.898,1251 232.87,1252 340.432,1253 37830,1255 15.715,1256 0.683,1257 0.528,1258 15.715,1259 12.136,1260 11.186,1261 0.414,1262 0.266,1263 7.043,1264 10.684,1265 6.911,1266 5.665,1267 11.186,1268 7.169,1269 10.592,1270 0.252,1271 0.132,1272 10.592,1273 5.557,1274 9.914,1275 0.153,1276 0.068,1277 9.914,1278 4.408,1279 9.379,1280 0.093,1281 0.034,1282 9.379,1283 3.437,1284 7.958,1285 0.057,1286 0.017,1287 7.958,1288 2.413,1289 0.352,1290 70.739,1291 0.234,1292 21.336,1293 0.763,1294 138,1295 423.517,1296 152.162,1297 405.155,1298 566.56,1299 380,1300 176,1301 432.198,1302 190.915,1303 436.36,1304 656.92,1305 412,1306 5} {0 CHEMBL2041914,1 1.665,2 6.238,3 1.891,4 3.575,5 74.662,6 9.527,7 0.76,8 3.582,9 3.676,10 3.364,11 3.196,12 4.827,13 3.23,14 4.081,15 4.18,16 3.818,17 3.646,18 5.37,19 3.672,20 4.274,21 4.41,22 3.859,23 3.709,24 5.532,25 3.734,26 4.283,27 4.41,28 3.909,29 3.696,30 5.704,31 3.729,32 4.264,33 4.416,34 3.77,35 3.552,36 5.685,37 3.582,38 4.09,39 4.271,40 3.34,41 3.267,42 5.518,43 3.258,44 3.676,45 3.874,46 2.601,47 2.793,48 4.986,49 2.712,50 3.087,51 3.366,52 1.295,53 1.93,54 4.161,55 1.71,56 0.111,57 0.48,58 2.953,59 2.029,60 6.732,61 1.778,62 0.225,63 0.782,64 5.096,65 3.518,66 15.561,67 3.357,68 0.309,69 0.912,70 9.078,71 4.661,72 34.626,73 4.422,74 0.366,75 0.932,76 8.351,77 4.544,78 46.871,79 4.45,80 0.427,81 0.908,82 9.521,83 4.433,84 31.646,85 4.214,86 0.423,87 0.705,88 10.111,89 4.118,90 45.397,91 3.842,92 0.271,93 0.429,94 7.45,95 3.15,96 35.042,97 3.113,98 0.168,99 0.218,100 6.006,101 2.131,102 23.186,103 2.671,104 5,105 39,106 0.304,107 0.641,108 0.776,109 0.862,110 0.887,111 0.887,112 3.108,113 0.782,114 -2.74,115 -2.75,116 -2.67,119 51.7,133 5,134 4,136 1,143 2,144 1,147 2,155 1,159 7,162 6,164 3,166 5,168 8,172 7,174 1,176 4,178 7,181 2,182 7,185 1,187 5,190 5,193 2,194 7,197 2,198 1,199 1,202 4,205 1,206 5,209 1,211 2,213 3,217 3,222 1,224 2,229 1,255 416,256 14.569,257 14.569,258 14.569,259 14.569,260 14.569,261 12.287,262 5.553,263 8.252,264 14.719,265 12.371,266 12.371,267 12.371,268 12.371,269 12.371,270 8.692,271 4.851,272 3.906,273 12.606,274 3.193,275 1.349,276 0.607,277 0.138,280 3.822,284 1,285 302,286 2.236,288 65.571,289 53.36,291 154.047,294 154.737,295 0.844,296 24.765,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 46,307 131,308 4.955,309 3.854,310 7.32,311 4.492,312 3.509,313 5.085,314 1.2,315 13.192,316 3.45,317 4.407,318 3.299,319 6.603,320 3.952,321 2.963,322 4.275,323 0.8,324 10.473,325 2.924,326 4.151,327 3.242,328 6.328,329 3.69,330 2.724,331 3.728,333 9.46,334 2.621,335 3.672,336 2.788,337 5.756,338 3.212,339 2.211,340 3.188,342 7.46,343 2.208,344 3.245,345 2.166,346 4.999,347 2.756,348 1.776,349 2.532,351 5.451,352 1.761,353 3.213,354 2.062,355 4.996,356 2.748,357 1.729,358 2.378,360 5.025,361 1.718,362 2.946,363 1.549,364 4.526,365 2.443,366 1.458,367 2.123,369 4.154,370 1.431,371 2.831,372 1.362,373 3.888,374 2.33,375 1.341,376 1.969,378 2.977,379 1.324,380 2.508,381 1.1,382 3.629,383 1.962,384 0.992,385 1.485,386 2.371,387 0.957,388 2.216,389 0.832,390 3.571,391 1.709,392 0.725,393 1.072,394 2.067,395 0.712,396 1.952,397 0.725,398 3.332,399 1.436,400 0.47,401 0.687,402 1.267,403 0.453,404 1.145,405 0.505,406 2.805,407 0.645,408 -0.379,409 -0.552,411 -1.068,412 -0.383,413 1,414 0.147,415 2.563,416 0.517,417 -0.553,418 -0.788,420 -1.305,421 -0.572,422 0.826,423 -0.627,424 2.366,425 0.304,426 -0.682,427 -1.039,429 -1.786,430 -0.683,431 0.569,432 -0.79,433 2.203,434 0.073,435 -0.927,436 -1.379,438 -2.463,439 -0.926,440 9.767,441 0.465,442 0.59,443 0.028,444 31.75,445 1.512,446 17,447 0.81,448 14.75,449 0.702,450 12.627,451 0.601,452 20.233,453 0.698,454 21.852,455 1.041,456 6.349,457 0.302,458 3.905,459 0.186,460 0.068,462 0.502,466 0.675,467 0.99,468 0.57,469 0.75,470 0.51,471 0.646,472 0.538,473 1.103,474 0.63,475 0.917,476 0.511,477 0.831,478 1.005,479 1.025,480 0.842,481 0.916,482 0.935,483 0.848,484 0.756,485 1.217,486 0.767,487 1.06,488 0.677,489 0.949,490 1.014,491 1.031,492 1.022,493 1.069,494 1.026,495 1.048,496 1.411,497 0.852,498 1.393,499 1.034,500 1.446,501 1.158,502 1.578,503 0.866,504 1.712,505 1.243,506 1.755,507 1.466,508 1.322,509 0.787,510 1.648,511 1.24,512 1.595,513 1.497,514 3,516 2.444,517 2.167,518 1.759,519 1.018,520 0.369,521 0.075,522 0.02,524 3921,525 11917,526 2.271,527 27.6,529 5,531 1,532 2,536 1.644,537 2.136,538 2.659,539 0.378,541 1,543 1,545 48.278,546 1.665,547 3.509,548 4.251,549 4.72,550 4.858,551 4.858,552 2.045,553 4.011,554 4.369,555 2.721,556 571.486,557 7.546,558 5689.56,559 1,560 1,562 1,563 140.881,564 1.357,565 4.333,566 0.12,568 0.063,569 0.054,570 0.043,571 0.03,572 0.018,573 0.008,574 0.02,576 0.356,577 0.67,578 0.88,579 0.532,580 89.417,581 -0.06,582 0.06,583 0.02,584 0.075,585 -0.058,586 0.076,587 0.128,588 -0.082,589 0.015,590 -0.07,591 0.029,592 -0.071,593 -0.137,594 -0.044,595 0.016,596 0.012,597 -0.098,598 0.05,599 0.134,600 -0.218,601 0.067,602 -0.159,603 0.167,604 -0.09,605 0.063,606 -0.013,607 -0.063,608 -0.144,609 0.027,610 -0.141,611 -0.173,612 0.093,613 -0.245,614 -0.009,615 -0.094,616 -0.101,617 -0.339,618 -0.036,619 -0.43,620 -0.119,621 -0.302,622 -0.256,623 -0.12,624 -0.06,625 0.06,626 0.069,627 -0.204,628 0.088,629 2.035,630 5.222,631 0.905,632 11.134,633 1.029,634 1.112,635 1.508,636 2.273,637 0.74,638 3.258,639 3.689,640 4.127,641 4.575,642 4.883,643 5.136,644 5.389,645 5.583,646 5.628,647 5.673,648 3.969,649 0.744,650 276.27,651 3.258,652 4.86,653 5.796,654 6.756,655 7.714,656 8.681,657 9.646,658 10.616,659 11.583,660 12.553,661 13.8,668 1,669 2,671 1,674 5,675 6,676 1,677 1,680 2,682 19,699 29,700 21,701 1,702 25,704 33,705 15,706 13,707 2,708 4,709 2,710 5,711 17,721 15,724 2,728 2,731 2,733 1,736 8,737 4,738 2,739 6,743 4,746 1,747 0.2,748 2,752 1,754 1,756 1,759 3,760 2,762 4,765 3,777 1,785 21,790 1,801 6.9,804 2,808 9.833,809 5.483,810 4.361,811 1.734,812 4.32,813 1.54,814 1.17,815 1.849,816 12.315,817 3.624,818 4.394,819 5.203,820 6.02,821 6.714,822 7.336,823 7.957,824 8.516,825 8.905,826 9.309,827 1,828 40,829 7.777,831 3.653,832 7.929,833 14.519,835 12.9,837 2.429,838 51,842 70.627,843 83.359,844 52.623,846 50.29,849 83.359,850 120.916,851 52.623,853 18.011,854 47.381,855 88.133,856 40.229,857 4.288,858 58.856,860 70.627,861 135.982,862 50.29,865 70.627,866 50.29,869 46.723,870 72.596,871 16.663,873 70.627,874 102.913,875 83.359,878 70.627,879 26.93,880 57.593,881 34.796,882 66.953,883 70.627,884 102.913,885 83.359,887 0.602,888 0.381,889 0.24,890 0.136,891 25,892 10,895 4,896 1.421,897 3.226,898 196.653,899 0.421,900 19,901 92.239,904 11.059,905 3.51,906 1.201,907 3.906,908 84.964,909 11.053,910 4.273,911 3.281,914 0.829,916 34.796,917 256.898,918 36.5,922 24.328,925 -0.721,926 29.829,927 32.242,928 0.343,929 0.722,930 0.875,931 0.972,932 1,933 1,934 4.896,935 1.341,936 5.826,937 4.154,938 4.369,939 5.081,940 1.641,941 6.788,942 4.333,943 6.176,944 0.992,945 7.469,946 2.977,947 4.111,948 5.156,950 7.941,951 4.069,952 7.549,953 0.725,954 9.215,955 2.371,956 6.094,957 7.538,958 1.786,959 11.168,960 6.019,961 8.967,962 0.47,963 11.022,964 2.067,965 6.698,966 8.49,968 13.175,969 6.613,970 10.421,971 -0.379,972 12.867,973 1.267,974 8.167,975 10.351,976 2.014,977 15.93,978 8.056,979 11.902,980 -0.553,981 14.74,982 -1.068,983 9.142,984 11.684,986 18.272,987 9.018,988 13.404,989 -0.682,990 16.632,991 -1.305,992 10.439,993 13.367,994 2.296,995 20.886,996 10.295,997 3.509,998 -0.927,999 18.539,1000 -1.786,1001 11.567,1002 14.861,1004 23.363,1005 11.409,1006 2.963,1007 13.192,1008 20.458,1009 -2.463,1010 12.812,1011 16.488,1012 2.61,1013 25.939,1014 12.636,1015 2.724,1016 10.473,1017 22.386,1018 5.085,1019 14.004,1020 18.05,1022 28.47,1023 13.813,1024 2.211,1025 9.46,1026 24.322,1027 4.275,1028 15.239,1029 19.663,1030 2.943,1031 31.039,1032 15.031,1033 1.776,1034 7.46,1035 26.265,1036 3.728,1037 16.459,1038 21.255,1040 33.594,1041 16.235,1042 1.729,1043 5.451,1044 28.214,1045 3.188,1046 17.695,1047 22.867,1048 3.287,1049 36.164,1050 17.455,1051 1.458,1052 5.025,1053 30.167,1054 2.532,1055 18.928,1056 24.473,1058 38.731,1059 18.672,1060 3611,1061 6405,1062 17.224,1063 21.455,1064 40.074,1065 41.592,1066 41.253,1067 39.724,1068 39.799,1069 57.041,1070 4,1071 127.798,1072 39.119,1073 5.797,1074 5.854,1075 7.001,1076 5.56,1077 5.509,1078 8.085,1079 2.4,1080 21.192,1081 5.45,1082 7.443,1083 1.603,1084 1.664,1085 1.65,1086 1.589,1087 1.592,1088 2.282,1089 0.16,1090 5.112,1091 1.565,1092 4.298,1093 4.334,1094 4.283,1095 4.187,1096 7.45,1097 4.205,1098 3.893,1099 3.928,1100 3.852,1101 3.791,1102 7.408,1103 3.802,1104 3.634,1105 3.671,1106 3.608,1107 3.406,1108 5.143,1109 3.447,1110 3.349,1111 3.402,1112 3.266,1113 3.218,1114 4.805,1115 3.228,1116 2.972,1117 3.023,1118 2.904,1119 2.82,1120 4.263,1121 2.823,1122 2.854,1123 2.828,1124 2.811,1125 2.563,1126 4.083,1127 2.627,1128 2.63,1129 2.692,1130 2.53,1131 2.449,1132 3.72,1133 2.464,1134 2.559,1135 2.635,1136 2.476,1137 2.328,1138 3.482,1139 2.365,1140 0.198,1141 0.154,1142 0.293,1143 0.18,1144 0.14,1145 4.955,1146 0.203,1147 3.854,1148 0.048,1149 7.32,1150 0.528,1151 4.492,1152 0.138,1153 3.509,1154 5.085,1155 1.2,1156 13.192,1157 3.45,1158 1.997,1159 1.983,1160 2.051,1161 2.092,1162 1.259,1163 2.063,1164 1.874,1165 1.838,1166 1.934,1167 2.016,1168 1.072,1169 2.009,1170 1.456,1171 1.416,1172 1.586,1173 1.661,1174 0.625,1175 1.627,1176 1.282,1177 1.243,1178 1.375,1179 1.58,1180 0.368,1181 1.535,1182 1.131,1183 1.088,1184 1.29,1185 1.347,1186 0.27,1187 1.333,1188 0.953,1189 0.9,1190 1.14,1191 1.189,1192 0.159,1193 1.161,1194 0.844,1195 0.818,1196 0.93,1197 1.045,1198 0.032,1199 1.022,1200 0.627,1201 0.553,1202 0.869,1203 0.851,1205 0.874,1206 3.932,1208 5.333,1209 3.434,1210 6.936,1211 5.861,1212 8.643,1213 8.032,1214 10.411,1223 2.378,1231 21.569,1232 48.278,1233 101.762,1234 123.272,1235 136.881,1236 140.881,1237 140.881,1238 29.911,1239 7.995,1240 83.02,1241 83.02,1242 27,1243 13.03,1244 4.459,1245 3.644,1246 24.95,1247 52,1248 45,1249 0.26,1250 126.512,1251 200.48,1252 300.449,1253 29697,1255 14.137,1256 0.673,1257 0.508,1258 14.137,1259 10.675,1260 10.254,1261 0.41,1262 0.261,1263 6.415,1264 9.843,1265 6.343,1266 5.176,1267 10.254,1268 6.513,1269 9.789,1270 0.251,1271 0.13,1272 9.789,1273 5.056,1274 9.147,1275 0.15,1276 0.065,1277 9.147,1278 3.978,1279 8.921,1280 0.093,1281 0.033,1282 8.921,1283 3.149,1284 7.499,1285 0.057,1286 0.017,1287 7.499,1288 2.18,1289 0.372,1290 64.487,1291 0.241,1292 19.543,1293 0.842,1294 128,1295 387.427,1296 141.06,1297 376.087,1298 529.35,1299 352,1300 164,1301 411.298,1302 178.117,1303 412.883,1304 623.62,1305 392,1306 5.678} {0 CHEMBL2041915,1 1.649,2 6.545,3 2.377,4 5.65,5 79.704,6 9.072,7 0.731,8 3.659,9 3.759,10 3.403,11 3.266,12 4.874,13 3.289,14 4.172,15 4.29,16 3.863,17 3.717,18 5.416,19 3.733,20 4.353,21 4.484,22 3.911,23 3.803,24 5.594,25 3.813,26 4.426,27 4.581,28 3.957,29 3.805,30 5.766,31 3.814,32 4.377,33 4.54,34 3.846,35 3.669,36 5.74,37 3.683,38 4.233,39 4.413,40 3.466,41 3.437,42 5.59,43 3.414,44 3.94,45 4.147,46 2.97,47 3.094,48 5.177,49 3.024,50 3.641,51 3.893,52 2.105,53 2.555,54 4.812,55 2.404,56 0.098,57 0.521,58 3.979,59 2.384,60 5.798,61 2.368,62 0.224,63 0.855,64 7.824,65 4.258,66 18.306,67 4.673,68 0.265,69 0.991,70 10.268,71 5.201,72 28.358,73 5.23,74 0.374,75 1.061,76 12.688,77 5.825,78 49.112,79 6.63,80 0.416,81 1.004,82 12.548,83 5.316,84 33.301,85 5.779,86 0.418,87 0.823,88 11.95,89 4.662,90 46.513,91 4.621,92 0.268,93 0.579,94 10.202,95 4.061,96 32.161,97 4.487,98 0.274,99 0.411,100 8.986,101 3.023,102 37,103 3.254,104 10,105 41,106 0.296,107 0.694,108 0.804,109 0.86,110 0.871,111 0.871,112 3.151,113 0.799,114 -2.99,115 -2.99,116 -2.88,119 50,120 1,133 4,134 5,136 1,143 2,144 1,147 2,155 1,159 8,162 6,164 3,166 5,168 10,172 7,174 1,176 4,178 9,181 2,182 7,185 1,187 5,190 6,193 2,194 7,197 2,198 1,199 2,202 5,205 1,206 6,209 1,211 2,213 4,217 5,222 2,224 2,229 2,237 1,255 498,256 15.016,257 15.016,258 15.016,259 15.016,260 15.016,261 12.71,262 7.978,263 8.391,264 15.166,265 12.854,266 12.854,267 12.854,268 12.854,269 12.854,270 9.105,271 6.322,272 3.989,273 13.089,274 3.351,275 1.136,276 0.524,277 0.211,278 0.149,279 0.149,280 3.862,283 1,284 1,285 329,286 2.345,288 71.059,289 57.316,291 166.475,294 167.891,295 0.95,296 25.202,298 1,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 48,307 144,308 4.958,309 3.854,310 7.321,311 4.494,312 3.512,313 5.089,314 1.2,315 13.198,316 3.453,317 4.426,318 3.305,319 6.61,320 3.974,321 2.984,322 4.297,323 0.8,324 10.511,325 2.949,326 4.152,327 3.246,328 6.329,329 3.694,330 2.729,331 3.728,333 9.464,334 2.624,335 3.777,336 2.836,337 5.782,338 3.346,339 2.348,340 3.316,342 7.596,343 2.343,344 3.441,345 2.418,346 5.034,347 3.018,348 2.018,349 2.799,351 5.838,352 2.013,353 3.223,354 2.159,355 5,356 2.749,357 1.761,358 2.475,360 5.399,361 1.736,362 3.174,363 1.949,364 4.914,365 2.693,366 1.685,367 2.346,369 4.989,370 1.678,371 2.874,372 1.491,373 4.506,374 2.379,375 1.397,376 2.004,378 4.056,379 1.367,380 2.508,381 1.101,382 3.871,383 1.962,384 0.992,385 1.485,386 2.392,387 0.957,388 2.24,389 0.833,390 3.638,391 1.73,392 0.75,393 1.109,394 2.118,395 0.734,396 2.015,397 0.761,398 3.37,399 1.519,400 0.549,401 0.789,402 1.493,403 0.531,404 1.235,405 0.595,406 2.878,407 0.784,408 -0.212,409 -0.286,411 -0.562,412 -0.21,413 1,414 0.204,415 2.595,416 0.531,417 -0.5,418 -0.695,420 -1.301,421 -0.506,422 0.951,423 -0.124,424 2.401,425 0.496,426 -0.577,427 -0.838,429 -1.456,430 -0.614,431 0.623,432 -0.761,433 2.344,434 0.142,435 -0.834,436 -1.2,438 -2.386,439 -0.809,440 10.267,441 0.467,442 0.696,443 0.032,444 32.25,445 1.466,446 17,447 0.773,448 15.25,449 0.693,450 14.668,451 0.667,452 21.533,453 0.673,454 22.74,455 1.034,456 6.39,457 0.29,458 4.258,459 0.194,460 0.114,462 0.526,466 0.664,467 1.019,468 0.599,469 0.795,470 0.517,471 0.695,472 0.516,473 1.049,474 0.568,475 0.84,476 0.486,477 0.744,478 0.99,479 1.094,480 0.887,481 1.005,482 0.939,483 0.937,484 0.689,485 1.159,486 0.735,487 1.018,488 0.63,489 0.914,490 0.938,491 1.052,492 0.915,493 1.042,494 0.962,495 0.988,496 1.384,497 0.927,498 1.364,499 1.066,500 1.381,501 1.169,502 1.329,503 0.956,504 1.366,505 1.177,506 1.379,507 1.266,508 1.726,509 0.768,510 1.822,511 1.133,512 1.796,513 1.42,514 4,516 2.667,517 2.229,518 1.95,519 1.122,520 0.497,521 0.237,522 0.052,524 4392,525 12760,526 2.229,527 31.3,528 3,529 4,531 1,532 2,536 1.657,537 2.063,538 2.727,539 0.348,541 1,543 1,545 52.781,546 1.649,547 3.864,548 4.476,549 4.789,550 4.851,551 4.851,552 2.117,553 4.187,554 4.435,555 2.805,556 647.984,557 7.677,558 6640.8,559 1,560 1,562 1,563 160,564 1.423,565 4.387,566 0.154,568 0.065,569 0.053,570 0.045,571 0.03,572 0.021,573 0.017,574 0.013,576 0.398,577 0.67,578 0.88,579 0.595,580 95.656,581 -0.042,582 0.05,583 0.032,584 0.064,585 -0.06,586 0.067,587 0.159,588 -0.016,589 0.156,590 0.055,591 0.062,592 0.086,593 -0.13,594 -0.093,595 -0.082,596 -0.088,597 -0.109,598 -0.075,599 0.178,600 -0.172,601 0.168,602 -0.075,603 0.183,604 0.016,605 0.118,606 -0.041,607 0.037,608 -0.112,609 0.067,610 -0.073,611 -0.18,612 0.049,613 -0.327,614 -0.101,615 -0.101,616 -0.206,617 -0.218,618 -0.083,619 -0.213,620 -0.123,621 -0.141,622 -0.155,623 -0.408,624 0.096,625 -0.48,626 -0.039,627 -0.312,628 -0.216,629 2.033,630 5.307,631 0.864,632 12.331,633 1.022,634 1.114,635 1.757,636 3.087,637 0.726,638 3.296,639 3.738,640 4.159,641 4.605,642 4.927,643 5.187,644 5.447,645 5.656,646 5.724,647 5.784,648 4.154,649 0.722,650 290.3,651 3.296,652 4.905,653 5.838,654 6.799,655 7.755,656 8.723,657 9.687,658 10.657,659 11.624,660 12.595,661 12.5,668 1,669 2,671 1,674 5,675 5,676 1,677 1,680 3,682 19,699 32,700 21,701 1,702 26,704 36,705 16,706 13,707 3,708 3,709 2,710 5,711 17,715 1,721 15,722 1,724 2,728 2,731 2,732 1,733 1,736 10,737 4,738 2,739 6,743 4,746 1,747 0.2,748 2,752 1,754 1,756 1,759 3,760 2,762 4,765 3,777 1,781 1,785 22,790 1,801 6.3,804 2,808 10.667,809 6.4,810 4.528,811 1.929,812 4.311,813 1.532,814 1.144,815 2.04,816 12.414,817 3.651,818 4.431,819 5.227,820 6.044,821 6.75,822 7.378,823 8.003,824 8.577,825 8.985,826 9.4,827 1,828 42,829 8.155,831 3.804,832 7.894,833 15.294,835 13.543,837 2.394,838 52.667,842 94.169,843 85.893,844 52.623,846 50.29,849 85.893,850 144.459,851 52.623,852 8.825,853 18.011,854 37.905,855 88.133,856 43.415,857 4.288,858 82.398,860 94.169,861 138.516,862 50.29,865 94.169,866 50.29,869 55.548,870 66.305,871 16.663,873 94.169,874 102.913,875 85.893,878 94.169,879 30.116,880 56.942,881 34.796,882 66.953,883 94.169,884 102.913,885 85.893,887 0.608,888 0.378,889 0.233,890 0.135,891 26,892 11,895 4,896 1.421,897 3.278,898 209.146,899 0.421,900 19,901 98.107,904 11.951,905 3.756,906 1.351,907 3.943,908 84.964,909 9.361,910 4.296,911 3.309,914 1.926,916 34.796,917 282.975,918 37.5,922 24.48,925 -0.717,926 32.713,927 35.658,928 0.33,929 0.773,930 0.895,931 0.958,932 0.97,933 0.97,934 4.933,935 1.397,936 5.878,937 4.989,938 4.419,939 5.118,940 1.641,941 6.836,942 4.385,943 6.221,944 0.992,945 7.521,946 4.056,947 4.205,948 5.231,950 7.978,951 4.166,952 7.598,953 0.75,954 9.264,955 2.392,956 6.146,957 7.575,958 1.786,959 11.197,960 6.075,961 9.017,962 0.549,963 11.065,964 2.118,965 6.758,966 8.534,968 13.19,969 6.678,970 10.469,971 -0.212,972 12.904,973 1.493,974 8.21,975 10.381,976 2.014,977 15.945,978 8.104,979 11.947,980 -0.5,981 14.771,982 -0.562,983 9.182,984 11.712,986 18.282,987 9.063,988 13.446,989 -0.577,990 16.657,991 -1.301,992 10.471,993 13.39,994 2.296,995 20.896,996 10.332,997 3.512,998 -0.834,999 18.56,1000 -1.456,1001 11.596,1002 14.883,1004 23.371,1005 11.442,1006 2.984,1007 13.198,1008 20.475,1009 -2.386,1010 12.838,1011 16.507,1012 2.61,1013 25.947,1014 12.666,1015 2.729,1016 10.511,1017 22.4,1018 5.089,1019 14.027,1020 18.069,1022 28.478,1023 13.84,1024 2.348,1025 9.464,1026 24.334,1027 4.297,1028 15.26,1029 19.68,1030 2.943,1031 31.046,1032 15.056,1033 2.018,1034 7.596,1035 26.275,1036 3.728,1037 16.478,1038 21.272,1040 33.602,1041 16.259,1042 1.761,1043 5.838,1044 28.223,1045 3.316,1046 17.714,1047 22.884,1048 3.287,1049 36.172,1050 17.477,1051 1.685,1052 5.399,1053 30.175,1054 2.799,1055 18.947,1056 24.49,1058 38.739,1059 18.694,1060 4080,1061 7080,1062 17.63,1063 23.216,1064 41.848,1065 43.296,1066 43.368,1067 41.372,1068 41.45,1069 58.872,1070 4,1071 134.109,1072 40.771,1073 5.799,1074 5.854,1075 6.792,1076 5.563,1077 5.512,1078 8.089,1079 2.4,1080 21.198,1081 5.453,1082 9.589,1083 1.61,1084 1.665,1085 1.668,1086 1.591,1087 1.594,1088 2.264,1089 0.154,1090 5.158,1091 1.568,1092 4.3,1093 4.335,1094 4.285,1095 4.191,1096 7.45,1097 4.209,1098 3.907,1099 3.941,1100 3.867,1101 3.809,1102 7.408,1103 3.82,1104 3.634,1105 3.671,1106 3.608,1107 3.41,1108 5.141,1109 3.448,1110 3.445,1111 3.503,1112 3.351,1113 3.307,1114 4.798,1115 3.317,1116 3.04,1117 3.1,1118 2.937,1119 2.902,1120 4.288,1121 2.896,1122 2.87,1123 2.922,1124 2.826,1125 2.625,1126 4.093,1127 2.64,1128 2.814,1129 2.823,1130 2.649,1131 2.555,1132 3.754,1133 2.602,1134 2.626,1135 2.691,1136 2.53,1137 2.4,1138 3.559,1139 2.431,1140 0.191,1141 0.148,1142 0.282,1143 0.173,1144 0.135,1145 4.958,1146 0.196,1147 3.854,1148 0.046,1149 7.321,1150 0.508,1151 4.494,1152 0.133,1153 3.512,1154 5.089,1155 1.2,1156 13.198,1157 3.453,1158 2.006,1159 1.992,1160 2.068,1161 2.093,1162 1.276,1163 2.07,1164 1.887,1165 1.853,1166 1.941,1167 2.032,1168 1.11,1169 2.022,1170 1.457,1171 1.416,1172 1.594,1173 1.662,1174 0.662,1175 1.631,1176 1.324,1177 1.274,1178 1.559,1179 1.594,1180 0.625,1181 1.559,1182 1.246,1183 1.193,1184 1.369,1185 1.483,1186 0.279,1187 1.494,1188 0.984,1189 0.955,1190 1.16,1191 1.217,1192 0.22,1193 1.197,1194 0.953,1195 0.898,1196 1.132,1197 1.17,1198 0.157,1199 1.154,1200 0.718,1201 0.634,1202 0.894,1203 1,1205 0.994,1206 3.97,1208 5.38,1209 3.434,1210 6.984,1211 5.861,1212 8.689,1213 8.032,1214 10.455,1216 1.996,1223 2.393,1231 23.096,1232 52.781,1233 123.635,1234 143.245,1235 153.245,1236 155.245,1237 155.245,1238 32.309,1239 8.103,1240 83.02,1241 83.02,1242 27,1243 13.072,1244 4.459,1245 3.644,1246 26.575,1247 56,1248 55,1249 0.252,1250 136.104,1251 217.78,1252 323.854,1253 33595,1255 15.008,1256 0.682,1257 0.527,1258 15.008,1259 11.598,1260 10.648,1261 0.41,1262 0.266,1263 6.826,1264 10.237,1265 6.68,1266 5.483,1267 10.648,1268 6.924,1269 10.423,1270 0.254,1271 0.136,1272 10.423,1273 5.559,1274 9.49,1275 0.151,1276 0.067,1277 9.49,1278 4.226,1279 9.137,1280 0.092,1281 0.033,1282 9.137,1283 3.312,1284 7.813,1285 0.057,1286 0.017,1287 7.813,1288 2.353,1289 0.363,1290 66.85,1291 0.238,1292 20.405,1293 0.808,1294 134,1295 395.427,1296 147.06,1297 385.009,1298 541.92,1299 360,1300 171,1301 421.298,1302 185.117,1303 424.739,1304 640.05,1305 402,1306 5} {0 CHEMBL2041916,1 1.712,2 7.261,3 1.874,4 3.513,5 81.126,6 9.282,7 0.704,8 3.701,9 3.791,10 3.457,11 3.262,12 4.944,13 3.305,14 4.211,15 4.319,16 3.899,17 3.699,18 5.479,19 3.738,20 4.358,21 4.476,22 3.959,23 3.788,24 5.629,25 3.823,26 4.42,27 4.543,28 4.01,29 3.818,30 5.806,31 3.845,32 4.457,33 4.625,34 3.911,35 3.704,36 5.807,37 3.725,38 4.288,39 4.46,40 3.583,41 3.459,42 5.65,43 3.463,44 4.002,45 4.168,46 3.203,47 3.118,48 5.357,49 3.099,50 3.708,51 3.933,52 2.667,53 2.656,54 4.971,55 2.602,56 0.143,57 0.538,58 3.857,59 2.511,60 6.537,61 2.297,62 0.353,63 0.868,64 8.248,65 4.379,66 22.932,67 4.229,68 0.39,69 0.985,70 9.937,71 5.108,72 35.018,73 4.606,74 0.439,75 1.057,76 10.166,77 5.494,78 46.242,79 5.508,80 0.551,81 1.054,82 14.03,83 5.895,84 37.932,85 6.532,86 0.544,87 0.829,88 12.843,89 5.051,90 51.781,91 5.083,92 0.472,93 0.59,94 9.534,95 3.948,96 42.351,97 3.978,98 0.365,99 0.421,100 9.329,101 3.206,102 30.767,103 3.724,104 11,105 42,106 0.306,107 0.704,108 0.81,109 0.864,110 0.875,111 0.875,112 3.192,113 0.782,114 -2.5,115 -2.52,116 -2.47,119 48.5,123 1,133 4,134 4,135 1,136 1,143 2,144 1,147 2,155 1,159 5,162 8,164 3,166 5,168 6,172 9,174 1,176 4,178 6,181 2,182 8,185 1,187 4,190 4,193 2,194 7,197 3,198 1,199 1,202 3,205 2,206 4,209 1,211 1,213 3,216 2,217 2,220 1,222 1,224 1,228 1,229 2,255 593,256 15.886,257 15.886,258 15.886,259 15.886,260 15.886,261 13.632,262 9.866,263 8.894,264 16.215,265 13.281,266 13.281,267 13.281,268 13.281,269 13.281,270 9.528,271 9.502,272 4.137,273 13.705,274 3.333,275 1.102,276 0.508,277 0.205,278 0.144,279 0.144,280 3.904,283 1,284 1,285 380,286 2.55,288 77.095,289 61.719,291 180.246,294 182.367,295 1.055,296 28.776,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 51,307 167,308 4.958,309 3.854,310 7.322,311 4.494,312 3.512,313 5.089,314 1.2,315 13.198,316 3.452,317 4.429,318 3.308,319 6.612,320 3.975,321 2.989,322 4.299,323 0.86,324 10.519,325 2.944,326 4.152,327 3.249,328 6.329,329 3.695,330 2.73,331 3.728,332 0.8,333 9.465,334 2.624,335 3.81,336 2.9,337 5.794,338 3.371,339 2.409,340 3.339,342 7.692,343 2.319,344 3.481,345 2.622,346 5.226,347 3.044,348 2.069,349 2.843,351 6.426,352 2.002,353 3.224,354 2.162,355 5,356 2.749,357 1.762,358 2.481,360 5.434,361 1.736,362 3.181,363 1.994,364 4.983,365 2.699,366 1.693,367 2.349,369 5.004,370 1.679,371 2.876,372 1.501,373 4.517,374 2.38,375 1.399,376 2.005,378 4.083,379 1.368,380 2.508,381 1.114,382 3.873,383 1.962,384 0.992,385 1.485,386 2.393,387 0.957,388 2.25,389 1.094,390 3.638,391 1.745,392 0.783,393 1.129,394 2.129,395 0.749,396 2.045,397 0.832,398 3.373,399 1.577,400 0.634,401 0.857,402 1.565,403 0.593,404 1.595,405 0.73,406 2.951,407 1.251,408 0.354,409 0.433,411 0.621,412 0.316,413 1.134,414 0.538,415 2.759,416 0.654,417 -0.352,418 -0.496,420 -0.909,421 -0.346,422 1,423 0.171,424 2.544,425 0.518,426 -0.545,427 -0.763,429 -1.304,430 -0.551,431 0.843,432 -0.313,433 2.383,434 0.356,435 -0.631,436 -0.919,438 -1.657,439 -0.643,440 10.6,441 0.461,442 0.658,443 0.029,444 33.75,445 1.467,446 17.5,447 0.761,448 16.25,449 0.707,450 14.985,451 0.652,452 23,453 0.697,454 24.697,455 1.074,456 6.834,457 0.297,458 4.352,459 0.189,460 0.11,462 0.509,466 0.743,467 1.088,468 0.588,469 0.874,470 0.537,471 0.719,472 0.807,473 1.021,474 0.636,475 0.778,476 0.563,477 0.69,478 1.074,479 1.059,480 0.859,481 0.914,482 0.986,483 0.838,484 0.754,485 1.264,486 0.819,487 1.126,488 0.693,489 1.025,490 0.809,491 1.009,492 0.864,493 1.034,494 0.917,495 0.982,496 1.212,497 0.913,498 1.198,499 1.029,500 1.342,501 1.088,502 1.165,503 0.959,504 1.363,505 1.231,506 1.339,507 1.335,508 1.153,509 0.918,510 1.276,511 1.126,512 1.043,513 1.212,514 4,516 2.667,517 2.229,518 1.99,519 1.185,520 0.553,521 0.284,522 0.128,523 0.025,524 4967,525 15635,526 2.218,527 30.3,529 7,531 1,532 2,536 1.668,537 2.06,538 2.834,539 0.364,541 1,543 1,545 56.491,546 1.712,547 3.942,548 4.537,549 4.84,550 4.9,551 4.9,552 2.225,553 4.089,554 4.496,555 2.926,556 740.206,557 7.798,558 7782.55,559 1,560 1,562 1,563 166.465,564 1.422,565 4.453,566 0.148,568 0.063,569 0.051,570 0.044,571 0.03,572 0.02,573 0.017,574 0.014,575 0.008,576 0.397,577 0.5,578 0.88,579 0.777,580 102.228,581 -0.073,582 -0.006,583 0.034,584 0.01,585 -0.063,586 0.046,587 -0.001,588 0.022,589 0.099,590 0.137,591 0.02,592 0.137,593 -0.198,594 -0.037,595 -0.076,596 0.01,597 -0.128,598 0.01,599 0.065,600 -0.244,601 -0.022,602 -0.206,603 0.127,604 -0.161,605 0.133,606 -0.013,607 0.126,608 -0.081,609 0.071,610 -0.01,611 -0.089,612 0.032,613 -0.133,614 -0.046,615 -0.086,616 -0.084,617 0.055,618 -0.065,619 -0.262,620 -0.223,621 -0.095,622 -0.309,623 0.046,624 -0.084,625 0.057,626 -0.051,627 0.088,628 0.001,629 2.061,630 5.345,631 0.826,632 14.034,633 1.032,634 1.117,635 1.266,636 1.602,637 0.717,638 3.332,639 3.761,640 4.19,641 4.625,642 4.949,643 5.22,644 5.485,645 5.7,646 5.787,647 5.866,648 4.405,649 0.722,650 306.3,651 3.332,652 4.934,653 5.866,654 6.823,655 7.779,656 8.744,657 9.708,658 10.676,659 11.643,660 12.613,661 12.1,668 1,669 2,671 1,674 5,675 5,676 1,677 1,680 3,682 19,697 1,699 33,700 21,701 1,702 27,704 37,705 16,706 13,707 3,708 3,709 2,710 5,711 17,721 15,722 1,724 2,728 2,731 2,732 1,733 1,736 10,737 5,738 2,739 7,743 4,746 1,747 0.2,748 3,752 1,754 1,756 1,759 3,760 2,762 4,765 3,777 1,781 1,785 23,790 1,791 1,801 9.1,804 2,806 1,808 11.167,809 6.567,810 4.861,811 1.887,812 4.303,813 1.525,814 1.119,815 2.335,816 12.503,817 3.676,818 4.443,819 5.243,820 6.055,821 6.762,822 7.397,823 8.025,824 8.602,825 9.023,826 9.45,827 0.8,828 44,829 8.512,831 3.937,832 7.942,833 15.828,835 13.788,837 2.442,838 56.167,842 94.169,843 90.009,844 52.623,846 61.29,849 90.009,850 155.459,851 52.623,852 10.883,853 18.011,854 37.905,855 88.133,856 56.473,857 4.288,858 82.398,860 94.169,861 142.632,862 61.29,865 94.169,866 61.29,869 46.723,870 79.246,871 16.663,873 94.169,874 113.913,875 90.009,878 94.169,879 32.173,880 58.999,881 34.796,882 77.953,883 94.169,884 113.913,885 90.009,887 0.6,888 0.38,889 0.231,890 0.133,891 26,892 11,893 0.027,894 1,895 4,896 1.421,897 3.366,898 220.216,899 0.421,900 19,901 102.042,904 12.816,905 4.19,906 1.491,907 3.621,908 95.964,909 8.896,910 4.285,911 3.277,914 1.429,916 34.796,917 298.091,918 38.5,922 24.55,925 -0.78,926 34.04,927 36.867,928 0.339,929 0.782,930 0.899,931 0.959,932 0.971,933 0.971,934 4.954,935 1.399,936 5.9,937 5.004,938 4.443,939 5.13,940 1.893,941 6.855,942 4.39,943 6.235,944 0.992,945 7.542,946 4.083,947 4.205,948 5.231,950 7.997,951 4.148,952 7.609,953 0.783,954 9.283,955 2.393,956 6.168,957 7.582,958 1.955,959 11.21,960 6.073,961 9.027,962 0.634,963 11.083,964 2.129,965 6.77,966 8.538,968 13.2,969 6.667,970 10.479,971 0.354,972 12.92,973 1.565,974 8.227,975 10.386,976 2.117,977 15.952,978 8.098,979 11.957,980 -0.352,981 14.785,982 0.621,983 9.193,984 11.716,986 18.286,987 9.055,988 13.455,989 -0.545,990 16.67,991 -0.909,992 10.483,993 13.393,994 2.355,995 20.9,996 10.326,997 3.512,998 -0.631,999 18.571,1000 -1.304,1001 11.605,1002 14.885,1004 23.373,1005 11.436,1006 2.989,1007 13.198,1008 20.484,1009 -1.657,1010 12.846,1011 16.509,1012 2.642,1013 25.949,1014 12.66,1015 2.73,1016 10.519,1017 22.408,1018 5.089,1019 14.034,1020 18.07,1022 28.479,1023 13.835,1024 2.409,1025 9.465,1026 24.341,1027 4.299,1028 15.266,1029 19.682,1030 2.96,1031 31.048,1032 15.051,1033 2.069,1034 7.692,1035 26.281,1036 3.728,1037 16.484,1038 21.274,1040 33.603,1041 16.254,1042 1.762,1043 6.426,1044 28.227,1045 3.339,1046 17.719,1047 22.885,1048 3.296,1049 36.173,1050 17.473,1051 1.693,1052 5.434,1053 30.179,1054 2.843,1055 18.951,1056 24.491,1058 38.74,1059 18.689,1060 4643,1061 8349,1062 18.323,1063 23.671,1064 42.798,1065 44.745,1066 44.889,1067 42.51,1068 42.652,1069 60.071,1070 5.72,1071 137.059,1072 41.479,1073 5.8,1074 5.854,1075 6.869,1076 5.563,1077 5.512,1078 8.089,1079 2.4,1080 21.198,1081 5.452,1082 10.039,1083 1.585,1084 1.657,1085 1.663,1086 1.574,1087 1.58,1088 2.225,1089 0.212,1090 5.076,1091 1.536,1092 4.299,1093 4.334,1094 4.285,1095 4.187,1096 7.45,1097 4.206,1098 3.9,1099 3.93,1100 3.865,1101 3.792,1102 7.408,1103 3.806,1104 3.634,1105 3.671,1106 3.608,1107 3.407,1108 5.148,1109 3.447,1110 3.431,1111 3.47,1112 3.355,1113 3.242,1114 4.861,1115 3.267,1116 3.133,1117 3.207,1118 2.974,1119 2.913,1120 4.56,1121 2.915,1122 2.944,1123 3.002,1124 2.854,1125 2.758,1126 4.132,1127 2.754,1128 2.851,1129 2.827,1130 2.781,1131 2.561,1132 3.974,1133 2.626,1134 2.628,1135 2.692,1136 2.53,1137 2.435,1138 3.693,1139 2.454,1140 0.184,1141 0.143,1142 0.271,1143 0.166,1144 0.13,1145 4.958,1146 0.188,1147 3.854,1148 0.044,1149 7.322,1150 0.489,1151 4.494,1152 0.128,1153 3.512,1154 5.089,1155 1.2,1156 13.198,1157 3.452,1158 1.994,1159 1.982,1160 2.034,1161 2.092,1162 1.26,1163 2.062,1164 1.871,1165 1.839,1166 1.929,1167 2.02,1168 1.073,1169 2.006,1170 1.456,1171 1.416,1172 1.589,1173 1.662,1174 0.625,1175 1.628,1176 1.29,1177 1.251,1178 1.572,1179 1.595,1180 0.581,1181 1.562,1182 1.225,1183 1.17,1184 1.372,1185 1.526,1186 0.32,1187 1.519,1188 1.054,1189 1.005,1190 1.224,1191 1.286,1192 0.266,1193 1.273,1194 0.953,1195 0.899,1196 1.138,1197 1.186,1198 0.159,1199 1.16,1200 0.797,1201 0.752,1202 0.901,1203 1.027,1205 1.009,1206 4.007,1208 5.407,1209 3.434,1210 7.008,1211 5.861,1212 8.71,1213 8.032,1214 10.474,1216 1.586,1223 2.375,1224 5.277,1231 23.81,1232 56.491,1233 130.1,1234 149.71,1235 159.71,1236 161.71,1237 161.71,1238 34.831,1239 8.2,1240 92.25,1241 92.25,1242 27,1243 13.091,1244 4.459,1245 3.644,1246 28.269,1247 61,1248 72,1249 0.242,1250 140.1,1251 226.57,1252 333.605,1253 37830,1255 15.715,1256 0.683,1257 0.522,1258 15.715,1259 12.006,1260 11.186,1261 0.414,1262 0.261,1263 6.896,1264 10.618,1265 6.779,1266 5.552,1267 11.186,1268 7.036,1269 10.592,1270 0.252,1271 0.129,1272 10.592,1273 5.422,1274 9.914,1275 0.153,1276 0.066,1277 9.914,1278 4.278,1279 9.379,1280 0.093,1281 0.033,1282 9.379,1283 3.305,1284 7.958,1285 0.057,1286 0.016,1287 7.958,1288 2.308,1289 0.352,1290 71.193,1291 0.234,1292 21.336,1293 0.763,1294 138,1295 443.163,1296 153.939,1297 422.453,1298 589.72,1299 396,1300 176,1301 451.844,1302 192.775,1303 453.559,1304 681.42,1305 428,1306 5} {0 CHEMBL2041917,1 1.728,2 6.545,3 1.623,4 2.635,5 76.357,6 9.742,7 0.731,8 3.627,9 3.712,10 3.41,11 3.206,12 4.924,13 3.255,14 4.11,15 4.198,16 3.873,17 3.66,18 5.458,19 3.701,20 4.32,21 4.439,22 3.918,23 3.733,24 5.647,25 3.773,26 4.347,27 4.473,28 3.963,29 3.726,30 5.785,31 3.769,32 4.319,33 4.462,34 3.861,35 3.583,36 5.786,37 3.632,38 4.164,39 4.325,40 3.483,41 3.312,42 5.64,43 3.335,44 3.818,45 3.981,46 3.036,47 2.876,48 5.429,49 2.878,50 3.363,51 3.583,52 2.127,53 2.141,54 4.937,55 2.078,56 0.173,57 0.498,58 3.008,59 2.166,60 16.182,61 1.686,62 0.282,63 0.806,64 4.66,65 3.665,66 22.455,67 3.266,68 0.44,69 0.942,70 8.528,71 4.797,72 53.841,73 4.017,74 0.483,75 0.978,76 8.934,77 4.954,78 64.64,79 4.722,80 0.532,81 0.936,82 9.672,83 4.699,84 46.96,85 4.464,86 0.554,87 0.736,88 10.008,89 4.232,90 63.53,91 3.647,92 0.465,93 0.471,94 7.98,95 3.392,96 66.019,97 3.34,98 0.348,99 0.274,100 6.873,101 2.349,102 53.982,103 2.48,104 10,105 41,106 0.314,107 0.7,108 0.818,109 0.879,110 0.891,111 0.891,112 3.151,113 0.767,114 -2.25,115 -2.29,116 -2.25,119 50,133 4,134 4,135 1,136 1,143 2,144 1,147 2,155 1,159 5,162 6,164 3,166 7,168 6,172 7,174 1,176 6,178 6,181 2,182 7,185 1,187 5,190 4,193 2,194 6,197 2,198 2,199 2,202 3,205 1,206 3,209 2,211 2,213 3,217 2,220 2,221 1,222 1,224 1,229 1,232 1,234 1,255 498,256 15.016,257 15.016,258 15.016,259 15.016,260 15.016,261 12.71,262 7.709,263 8.391,264 15.207,265 12.854,266 12.854,267 12.854,268 12.854,269 12.854,270 9.105,271 6.014,272 3.989,273 13.168,274 3.179,275 1.054,276 0.4,277 0.067,280 3.862,283 1,284 1,285 329,286 2.345,288 71.059,289 57.316,291 166.475,294 167.891,295 0.95,296 32.085,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 49,307 144,308 4.958,309 3.854,310 7.321,311 4.494,312 3.512,313 5.089,314 1.2,315 13.198,316 3.452,317 4.426,318 3.305,319 6.61,320 3.972,321 2.984,322 4.297,323 0.8,324 10.511,325 2.942,326 4.152,327 3.247,328 6.329,329 3.694,330 2.729,331 3.728,333 9.464,334 2.623,335 3.777,336 2.846,337 5.782,338 3.326,339 2.348,340 3.316,342 7.596,343 2.295,344 3.441,345 2.466,346 5.034,347 2.995,348 2.018,349 2.799,351 5.838,352 1.96,353 3.223,354 2.16,355 5,356 2.749,357 1.761,358 2.475,360 5.399,361 1.735,362 3.174,363 1.959,364 4.914,365 2.689,366 1.685,367 2.346,369 4.989,370 1.67,371 2.874,372 1.492,373 4.506,374 2.379,375 1.397,376 2.004,378 4.056,379 1.366,380 2.508,381 1.101,382 3.871,383 1.962,384 0.992,385 1.485,386 2.392,387 0.957,388 2.24,389 0.833,390 3.638,391 1.729,392 0.75,393 1.109,394 2.118,395 0.732,396 2.015,397 0.765,398 3.37,399 1.512,400 0.549,401 0.789,402 1.493,403 0.527,404 1.235,405 0.603,406 2.878,407 0.755,408 -0.212,409 -0.286,411 -0.562,412 -0.2,413 1,414 0.214,415 2.595,416 0.525,417 -0.5,418 -0.695,420 -1.301,421 -0.498,422 0.951,423 -0.074,424 2.401,425 0.479,426 -0.577,427 -0.838,429 -1.456,430 -0.609,431 0.623,432 -0.753,433 2.344,434 0.128,435 -0.834,436 -1.2,438 -2.386,439 -0.791,440 10.1,441 0.459,442 0.696,443 0.032,444 33,445 1.5,446 17.5,447 0.795,448 15.5,449 0.705,450 13.605,451 0.618,452 21.7,453 0.723,454 23.803,455 1.082,456 6.59,457 0.3,458 4.058,459 0.184,460 0.099,462 0.535,466 0.799,467 0.974,468 0.604,469 0.714,470 0.65,471 0.611,472 0.565,473 1.125,474 0.585,475 0.925,476 0.514,477 0.811,478 1.061,479 1.052,480 0.923,481 0.945,482 0.984,483 0.895,484 0.765,485 1.206,486 0.774,487 1.053,488 0.698,489 0.954,490 0.893,491 1.043,492 0.933,493 1.074,494 0.941,495 1.031,496 1.332,497 0.875,498 1.379,499 1.048,500 1.409,501 1.169,502 1.226,503 0.871,504 1.384,505 1.212,506 1.408,507 1.335,508 1.5,509 0.78,510 1.693,511 1.174,512 1.519,513 1.42,514 4,516 2.667,517 2.229,518 1.95,519 1.122,520 0.497,521 0.237,522 0.052,524 4392,525 14616,526 2.229,527 26.7,529 4,531 1,532 3,536 1.657,537 2.063,538 2.727,539 1.114,541 1,543 1,545 51.848,546 1.728,547 3.853,548 4.507,549 4.84,550 4.907,551 4.907,552 2.117,553 4.187,554 4.435,555 2.805,556 647.984,557 7.677,558 6640.8,559 1,560 1,562 1,563 147.207,564 1.423,565 4.387,566 0.154,568 0.065,569 0.053,570 0.045,571 0.03,572 0.021,573 0.017,574 0.013,576 0.398,577 0.67,578 0.88,579 0.595,580 95.656,581 -0.134,582 0.092,583 -0.023,584 0.143,585 -0.109,586 0.119,587 0.076,588 -0.082,589 0.026,590 -0.058,591 0.036,592 -0.049,593 -0.205,594 -0.06,595 -0.106,596 -0.017,597 -0.147,598 -0.018,599 0.063,600 -0.208,601 0.079,602 -0.128,603 0.096,604 -0.053,605 0.079,606 -0.029,607 0.023,608 -0.146,609 0.02,610 -0.105,611 -0.166,612 0.074,613 -0.263,614 -0.054,615 -0.165,616 -0.142,617 0.091,618 -0.033,619 -0.119,620 -0.133,621 0.03,622 -0.187,623 -0.037,624 -0.01,625 -0.086,626 0.009,627 0.062,628 -0.03,629 2.099,630 5.244,631 0.864,632 12.331,633 1.039,634 1.115,635 1.016,636 1.033,637 0.73,638 3.296,639 3.738,640 4.159,641 4.605,642 4.927,643 5.187,644 5.447,645 5.656,646 5.724,647 5.784,648 4.154,649 0.743,650 292.27,651 3.296,652 4.905,653 5.838,654 6.799,655 7.755,656 8.723,657 9.687,658 10.657,659 11.624,660 12.595,661 13.3,668 1,669 2,671 1,674 5,675 5,676 1,677 1,680 3,682 19,696 1,699 30,700 21,701 1,702 26,704 34,705 15,706 13,707 3,708 3,709 2,710 5,711 17,721 15,724 2,728 2,731 2,732 1,733 1,736 8,737 5,738 3,739 7,743 4,746 1,747 0.2,748 3,752 1,754 1,756 1,759 3,760 2,762 4,765 3,777 1,785 22,788 1,790 1,801 10,803 1,804 2,808 10.667,809 5.6,810 4.528,811 1.729,812 4.311,813 1.532,814 1.114,815 2.025,816 12.414,817 3.651,818 4.431,819 5.227,820 6.044,821 6.75,822 7.378,823 8.003,824 8.577,825 8.985,826 9.4,827 1,828 42,829 8.155,831 3.869,832 8.076,833 14.995,835 13.312,837 2.576,838 56.667,842 58.856,843 73.882,844 52.623,846 92.973,849 73.882,850 151.829,851 52.623,853 18.011,854 37.905,855 130.817,856 40.229,857 4.288,858 47.084,860 58.856,861 126.506,862 92.973,865 58.856,866 92.973,869 46.723,870 63.12,871 16.663,873 58.856,874 145.596,875 73.882,878 58.856,879 26.93,880 48.116,881 34.796,882 109.636,883 58.856,884 145.596,885 73.882,887 0.608,888 0.378,889 0.233,890 0.135,891 26,892 11,895 4,896 1.421,897 3.278,898 209.146,899 0.421,900 19,901 98.107,904 11.916,905 3.739,906 1.344,907 3.199,908 127.647,909 8.123,910 4.233,911 3.197,914 0.733,916 77.48,917 278.334,918 37.5,922 24.368,925 -0.861,926 31.156,927 33.452,928 0.352,929 0.785,930 0.918,931 0.986,932 1,933 1,934 4.933,935 1.397,936 5.878,937 4.989,938 4.419,939 5.118,940 1.641,941 6.836,942 4.374,943 6.221,944 0.992,945 7.521,946 4.056,947 4.205,948 5.231,950 7.978,951 4.148,952 7.598,953 0.75,954 9.264,955 2.392,956 6.146,957 7.575,958 1.786,959 11.197,960 6.061,961 9.017,962 0.549,963 11.065,964 2.118,965 6.758,966 8.534,968 13.19,969 6.661,970 10.469,971 -0.212,972 12.904,973 1.493,974 8.21,975 10.381,976 2.014,977 15.945,978 8.09,979 11.947,980 -0.5,981 14.771,982 -0.562,983 9.182,984 11.712,986 18.282,987 9.05,988 13.446,989 -0.577,990 16.657,991 -1.301,992 10.471,993 13.39,994 2.296,995 20.896,996 10.32,997 3.512,998 -0.834,999 18.56,1000 -1.456,1001 11.596,1002 14.883,1004 23.371,1005 11.432,1006 2.984,1007 13.198,1008 20.475,1009 -2.386,1010 12.838,1011 16.507,1012 2.61,1013 25.947,1014 12.657,1015 2.729,1016 10.511,1017 22.4,1018 5.089,1019 14.027,1020 18.069,1022 28.478,1023 13.832,1024 2.348,1025 9.464,1026 24.334,1027 4.297,1028 15.26,1029 19.68,1030 2.943,1031 31.046,1032 15.048,1033 2.018,1034 7.596,1035 26.275,1036 3.728,1037 16.478,1038 21.272,1040 33.602,1041 16.251,1042 1.761,1043 5.838,1044 28.223,1045 3.316,1046 17.714,1047 22.884,1048 3.287,1049 36.172,1050 17.471,1051 1.685,1052 5.399,1053 30.175,1054 2.799,1055 18.947,1056 24.49,1058 38.739,1059 18.687,1060 4080,1061 7540,1062 17.63,1063 21.909,1064 41.848,1065 43.297,1066 43.368,1067 41.424,1068 41.45,1069 58.872,1070 4,1071 134.109,1072 40.52,1073 5.799,1074 5.854,1075 6.792,1076 5.563,1077 5.512,1078 8.089,1079 2.4,1080 21.198,1081 5.452,1082 9.589,1083 1.61,1084 1.665,1085 1.668,1086 1.593,1087 1.594,1088 2.264,1089 0.154,1090 5.158,1091 1.558,1092 4.299,1093 4.333,1094 4.284,1095 4.186,1096 7.45,1097 4.206,1098 3.897,1099 3.928,1100 3.861,1101 3.79,1102 7.408,1103 3.804,1104 3.634,1105 3.671,1106 3.608,1107 3.406,1108 6.471,1109 3.447,1110 3.374,1111 3.411,1112 3.312,1113 3.218,1114 5.132,1115 3.239,1116 2.985,1117 3.029,1118 2.918,1119 2.822,1120 4.752,1121 2.831,1122 2.855,1123 2.829,1124 2.818,1125 2.563,1126 4.157,1127 2.627,1128 2.645,1129 2.696,1130 2.551,1131 2.454,1132 4.019,1133 2.475,1134 2.615,1135 2.68,1136 2.529,1137 2.336,1138 3.692,1139 2.383,1140 0.191,1141 0.148,1142 0.282,1143 0.173,1144 0.135,1145 4.958,1146 0.196,1147 3.854,1148 0.046,1149 7.321,1150 0.508,1151 4.494,1152 0.133,1153 3.512,1154 5.089,1155 1.2,1156 13.198,1157 3.452,1158 1.994,1159 1.981,1160 2.032,1161 2.092,1162 1.257,1163 2.061,1164 1.87,1165 1.837,1166 1.928,1167 2.016,1168 1.065,1169 2.003,1170 1.456,1171 1.416,1172 1.585,1173 1.661,1174 0.625,1175 1.627,1176 1.281,1177 1.243,1178 1.373,1179 1.581,1180 0.322,1181 1.535,1182 1.126,1183 1.091,1184 1.257,1185 1.366,1186 0.266,1187 1.334,1188 0.953,1189 0.9,1190 1.139,1191 1.191,1192 0.159,1193 1.161,1194 0.843,1195 0.83,1196 0.918,1197 1.069,1199 1.031,1200 0.631,1201 0.561,1202 0.863,1203 0.926,1205 0.917,1206 3.97,1208 5.38,1209 3.434,1210 6.984,1211 5.861,1212 8.689,1213 8.032,1214 10.455,1221 9.744,1223 2.33,1231 22.284,1232 51.848,1233 115.597,1234 135.207,1235 145.207,1236 147.207,1237 147.207,1238 36.159,1239 8.103,1240 103.25,1241 103.25,1242 27,1243 13.072,1244 4.459,1245 3.644,1246 26.575,1247 56,1248 55,1249 0.252,1250 130.508,1251 209.27,1252 310.199,1253 33595,1255 15.008,1256 0.682,1257 0.502,1258 15.008,1259 11.045,1260 10.648,1261 0.41,1262 0.256,1263 6.534,1264 10.165,1265 6.469,1266 5.265,1267 10.648,1268 6.647,1269 10.423,1270 0.254,1271 0.128,1272 10.423,1273 5.24,1274 9.49,1275 0.151,1276 0.064,1277 9.49,1278 4.054,1279 9.137,1280 0.092,1281 0.032,1282 9.137,1283 3.187,1284 7.813,1285 0.057,1286 0.016,1287 7.813,1288 2.224,1289 0.363,1290 67.427,1291 0.238,1292 20.405,1293 0.808,1294 134,1295 427.577,1296 149.164,1297 412.499,1298 573.04,1299 384,1300 171,1301 440.328,1302 186.778,1303 441.195,1304 664.01,1305 418,1306 6.745} {0 CHEMBL2041918,1 1.665,2 6.238,3 1.794,4 3.217,5 75.749,6 9.527,7 0.76,8 3.582,9 3.677,10 3.358,11 3.205,12 4.836,13 3.237,14 4.075,15 4.171,16 3.806,17 3.668,18 5.361,19 3.687,20 4.264,21 4.386,22 3.853,23 3.74,24 5.521,25 3.753,26 4.309,27 4.444,28 3.912,29 3.716,30 5.723,31 3.74,32 4.275,33 4.43,34 3.77,35 3.56,36 5.692,37 3.586,38 4.07,39 4.238,40 3.35,41 3.254,42 5.514,43 3.246,44 3.743,45 3.969,46 2.653,47 2.697,48 5.046,49 2.647,50 3.027,51 3.331,52 1.263,53 1.715,54 4.146,55 1.558,56 0.117,57 0.479,58 3.037,59 2.015,60 8.133,61 1.724,62 0.214,63 0.761,64 5.083,65 3.558,66 17.78,67 3.369,68 0.261,69 0.875,70 8.271,71 4.836,72 35.115,73 4.728,74 0.397,75 0.961,76 9.056,77 4.809,78 52.665,79 4.921,80 0.425,81 0.911,82 9.905,83 4.615,84 40.582,85 4.561,86 0.386,87 0.685,88 9.205,89 4.123,90 42.811,91 3.952,92 0.316,93 0.491,94 8.829,95 3.152,96 38.53,97 3.094,98 0.198,99 0.223,100 6.185,101 1.735,102 26.116,103 1.96,104 5,105 39,106 0.304,107 0.636,108 0.799,109 0.862,110 0.887,111 0.887,112 3.108,113 0.781,114 -2.72,115 -2.74,116 -2.66,119 51.7,133 4,134 5,136 1,143 3,147 2,157 1,159 7,162 3,164 2,166 8,168 9,172 4,176 5,178 8,181 1,182 5,185 2,186 2,187 5,190 6,193 1,194 4,197 3,198 1,199 2,202 5,205 1,206 5,209 1,211 4,213 1,217 5,222 3,229 1,255 416,256 14.569,257 14.569,258 14.569,259 14.569,260 14.569,261 12.287,262 5.553,263 8.252,264 14.684,265 12.371,266 12.371,267 12.371,268 12.371,269 12.371,270 8.692,271 4.851,272 3.906,273 12.533,274 3.193,275 1.375,276 0.483,277 0.138,280 3.822,284 1,285 302,286 2.236,288 65.571,289 53.36,291 154.047,294 154.737,295 0.844,296 24.968,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 46,307 131,308 4.955,309 3.854,310 7.32,311 4.501,312 3.509,313 5.085,314 1.2,315 13.192,316 3.48,317 4.407,318 3.299,319 6.603,320 3.952,321 2.963,322 4.275,323 0.8,324 10.473,325 2.924,326 4.151,327 3.242,328 6.328,329 3.713,330 2.724,331 3.728,333 9.46,334 2.689,335 3.672,336 2.788,337 5.756,338 3.214,339 2.211,340 3.188,342 7.46,343 2.213,344 3.245,345 2.166,346 4.999,347 2.755,348 1.776,349 2.532,351 5.451,352 1.759,353 3.213,354 2.062,355 4.996,356 2.751,357 1.729,358 2.378,360 5.025,361 1.723,362 2.946,363 1.549,364 4.526,365 2.444,366 1.458,367 2.123,369 4.154,370 1.432,371 2.831,372 1.362,373 3.888,374 2.33,375 1.341,376 1.969,378 2.977,379 1.324,380 2.508,381 1.1,382 3.629,383 1.973,384 0.992,385 1.485,386 2.371,387 0.969,388 2.216,389 0.832,390 3.571,391 1.69,392 0.725,393 1.072,394 2.067,395 0.698,396 1.952,397 0.725,398 3.332,399 1.439,400 0.47,401 0.687,402 1.267,403 0.454,404 1.145,405 0.505,406 2.805,407 0.646,408 -0.379,409 -0.552,411 -1.068,412 -0.383,413 1,414 0.147,415 2.563,416 0.518,417 -0.553,418 -0.788,420 -1.305,421 -0.575,422 0.826,423 -0.627,424 2.366,425 0.317,426 -0.682,427 -1.039,429 -1.786,430 -0.69,431 0.569,432 -0.79,433 2.203,434 0.075,435 -0.927,436 -1.379,438 -2.463,439 -0.927,440 9.767,441 0.465,442 0.59,443 0.028,444 31.5,445 1.5,446 17,447 0.81,448 14.5,449 0.69,450 12.866,451 0.613,452 20.233,453 0.698,454 21.612,455 1.029,456 6.297,457 0.3,458 3.957,459 0.188,460 0.068,462 0.512,466 0.699,467 0.864,468 0.592,469 0.663,470 0.514,471 0.593,472 0.552,473 1.028,474 0.643,475 0.865,476 0.522,477 0.799,478 0.921,479 1.103,480 0.837,481 1.041,482 0.926,483 0.954,484 0.671,485 1.035,486 0.77,487 1.013,488 0.645,489 0.944,490 0.969,491 1.035,492 0.994,493 1.083,494 1.017,495 1.055,496 1.336,497 1.067,498 1.362,499 1.233,500 1.441,501 1.299,502 1.711,503 1.055,504 1.672,505 1.166,506 1.685,507 1.345,508 1.852,509 0.453,510 1.777,511 0.699,512 1.832,513 1.063,514 3,516 2.444,517 2.167,518 1.759,519 1.018,520 0.369,521 0.075,522 0.02,524 3921,525 12049,526 2.271,527 27.6,529 4,531 1,532 3,536 1.644,537 2.136,538 2.659,539 1.109,541 1,543 1,545 48.278,546 1.665,547 3.483,548 4.375,549 4.72,550 4.858,551 4.858,552 2.045,553 4.011,554 4.369,555 2.721,556 571.486,557 7.546,558 5689.56,559 1,560 1,562 1,563 140.881,564 1.357,565 4.333,566 0.12,568 0.063,569 0.054,570 0.043,571 0.03,572 0.018,573 0.008,574 0.02,576 0.356,577 0.67,578 0.88,579 0.532,580 89.417,581 -0.085,582 0.19,583 -0.003,584 0.165,585 -0.057,586 0.131,587 0.085,588 -0.029,589 -0.007,590 -0.003,591 0.021,592 -0.025,593 -0.109,594 -0.174,595 -0.014,596 -0.097,597 -0.097,598 -0.048,599 0.211,600 -0.04,601 0.095,602 -0.096,603 0.184,604 -0.054,605 0.091,606 -0.032,607 -0.015,608 -0.143,609 0.031,610 -0.121,611 -0.111,612 -0.15,613 -0.246,614 -0.214,615 -0.087,616 -0.258,617 -0.393,618 -0.136,619 -0.292,620 -0.068,621 -0.273,622 -0.126,623 -0.421,624 0.43,625 0.019,626 0.566,627 -0.304,628 0.481,629 2.045,630 5.217,631 0.905,632 11.134,633 1.029,634 1.112,635 1.494,636 2.231,637 0.74,638 3.258,639 3.689,640 4.127,641 4.575,642 4.883,643 5.136,644 5.389,645 5.583,646 5.628,647 5.673,648 3.969,649 0.744,650 276.27,651 3.258,652 4.86,653 5.796,654 6.756,655 7.714,656 8.681,657 9.646,658 10.616,659 11.583,660 12.553,661 13.8,668 1,669 2,671 1,674 6,675 5,676 1,677 2,680 2,682 19,699 29,700 21,701 2,702 25,704 33,705 15,706 13,707 8,708 4,709 2,710 5,711 17,721 15,724 2,728 2,731 2,733 1,736 8,737 4,738 3,739 6,743 4,746 1,747 0.2,748 2,752 1,756 1,759 3,760 2,762 4,765 3,777 1,785 21,790 1,801 6.9,804 2,808 9.833,809 5.45,810 4.361,811 1.721,812 4.32,813 1.54,814 1.182,815 1.849,816 12.315,817 3.624,818 4.394,819 5.203,820 6.02,821 6.714,822 7.336,823 7.957,824 8.516,825 8.905,826 9.309,827 1,828 40,829 7.776,831 3.663,832 7.937,833 14.512,835 12.952,837 2.437,838 51.167,842 58.856,843 76.884,844 68.122,846 50.29,849 76.884,850 109.145,851 68.122,853 18.011,854 37.905,855 88.133,856 56.586,857 6.432,858 47.084,860 58.856,861 145.006,862 50.29,865 58.856,866 50.29,869 60.507,870 67.837,871 16.663,873 58.856,874 118.412,875 76.884,878 58.856,879 29.932,880 46.952,881 51.459,882 66.953,883 58.856,884 118.412,885 76.884,887 0.602,888 0.381,889 0.24,890 0.136,891 25,892 10,895 4,896 1.421,897 3.226,898 196.653,899 0.421,900 19,901 92.239,904 11.059,905 3.51,906 1.201,907 4.853,908 84.964,909 9.397,910 4.022,911 6.145,914 0.8,916 51.459,917 254.152,918 36.5,922 24.317,925 -0.738,926 29.829,927 32.242,928 0.343,929 0.717,930 0.901,931 0.972,932 1,933 1,934 4.896,935 1.341,936 5.826,937 4.154,938 4.369,939 5.081,940 1.641,941 6.788,942 4.346,943 6.176,944 0.992,945 7.469,946 2.977,947 4.111,948 5.156,950 7.941,951 4.097,952 7.549,953 0.725,954 9.215,955 2.371,956 6.094,957 7.538,958 1.786,959 11.168,960 6.049,961 8.967,962 0.47,963 11.022,964 2.067,965 6.698,966 8.49,968 13.175,969 6.657,970 10.421,971 -0.379,972 12.867,973 1.267,974 8.167,975 10.351,976 2.014,977 15.93,978 8.105,979 11.902,980 -0.553,981 14.74,982 -1.068,983 9.142,984 11.684,986 18.272,987 9.078,988 13.404,989 -0.682,990 16.632,991 -1.305,992 10.439,993 13.367,994 2.296,995 20.886,996 10.361,997 3.509,998 -0.927,999 18.539,1000 -1.786,1001 11.567,1002 14.861,1004 23.363,1005 11.484,1006 2.963,1007 13.192,1008 20.458,1009 -2.463,1010 12.812,1011 16.488,1012 2.61,1013 25.939,1014 12.719,1015 2.724,1016 10.473,1017 22.386,1018 5.085,1019 14.004,1020 18.05,1022 28.47,1023 13.903,1024 2.211,1025 9.46,1026 24.322,1027 4.275,1028 15.239,1029 19.663,1030 2.943,1031 31.039,1032 15.129,1033 1.776,1034 7.46,1035 26.265,1036 3.728,1037 16.459,1038 21.255,1040 33.594,1041 16.342,1042 1.729,1043 5.451,1044 28.214,1045 3.188,1046 17.695,1047 22.867,1048 3.287,1049 36.164,1050 17.57,1051 1.458,1052 5.025,1053 30.167,1054 2.532,1055 18.928,1056 24.473,1058 38.731,1059 18.796,1060 3611,1061 6435,1062 17.224,1063 21.455,1064 40.074,1065 41.592,1066 41.253,1067 39.699,1068 39.799,1069 57.041,1070 4,1071 127.798,1072 39.329,1073 5.797,1074 5.854,1075 7.001,1076 5.543,1077 5.509,1078 8.085,1079 2.4,1080 21.192,1081 5.48,1082 7.443,1083 1.603,1084 1.664,1085 1.65,1086 1.588,1087 1.592,1088 2.282,1089 0.16,1090 5.112,1091 1.573,1092 4.291,1093 4.318,1094 4.274,1095 4.211,1096 7.45,1097 4.223,1098 3.895,1099 3.936,1100 3.855,1101 3.787,1102 7.408,1103 3.798,1104 3.634,1105 3.671,1106 3.606,1107 3.413,1108 5.135,1109 3.454,1110 3.347,1111 3.408,1112 3.268,1113 3.186,1114 4.862,1115 3.201,1116 2.972,1117 3.023,1118 2.903,1119 2.818,1120 4.309,1121 2.821,1122 2.85,1123 2.824,1124 2.811,1125 2.559,1126 4.071,1127 2.622,1128 2.645,1129 2.713,1130 2.542,1131 2.411,1132 3.718,1133 2.446,1134 2.55,1135 2.629,1136 2.456,1137 2.342,1138 3.462,1139 2.366,1140 0.198,1141 0.154,1142 0.293,1143 0.18,1144 0.14,1145 4.955,1146 0.203,1147 3.854,1148 0.048,1149 7.32,1150 0.528,1151 4.501,1152 0.139,1153 3.509,1154 5.085,1155 1.2,1156 13.192,1157 3.48,1158 2.012,1159 2.004,1160 2.056,1161 2.055,1162 1.291,1163 2.052,1164 1.892,1165 1.862,1166 1.964,1167 2.008,1168 1.096,1169 2,1170 1.385,1171 1.338,1172 1.483,1173 1.696,1174 0.475,1175 1.637,1176 1.298,1177 1.266,1178 1.393,1179 1.599,1180 0.436,1181 1.535,1182 1.077,1183 1,1184 1.265,1185 1.35,1186 0.262,1187 1.327,1188 1.019,1189 0.975,1190 1.179,1191 1.201,1192 0.155,1193 1.197,1194 0.838,1195 0.811,1196 0.99,1197 1.043,1198 0.013,1199 1.026,1200 0.658,1201 0.589,1202 0.893,1203 0.865,1205 0.891,1206 3.932,1208 5.333,1209 3.434,1210 6.936,1211 5.861,1212 8.643,1213 8.032,1214 10.411,1223 2.371,1231 21.569,1232 48.278,1233 101.007,1234 126.881,1235 136.881,1236 140.881,1237 140.881,1238 30.694,1239 7.995,1240 94.4,1241 94.4,1242 27,1243 13.03,1244 4.459,1245 3.644,1246 24.95,1247 52,1248 45,1249 0.26,1250 126.512,1251 200.48,1252 300.449,1253 29697,1255 14.137,1256 0.673,1257 0.507,1258 14.137,1259 10.65,1260 10.254,1261 0.41,1262 0.26,1263 6.413,1264 9.862,1265 6.336,1266 5.17,1267 10.254,1268 6.506,1269 9.789,1270 0.251,1271 0.131,1272 9.789,1273 5.113,1274 9.147,1275 0.15,1276 0.066,1277 9.147,1278 4.046,1279 8.921,1280 0.093,1281 0.033,1282 8.921,1283 3.202,1284 7.499,1285 0.057,1286 0.017,1287 7.499,1288 2.241,1289 0.372,1290 64.449,1291 0.241,1292 19.543,1293 0.842,1294 128,1295 384.115,1296 139.645,1297 374.484,1298 524.56,1299 350,1300 164,1301 402.879,1302 176.23,1303 407.349,1304 613.16,1305 386,1306 5.77} {0 CHEMBL2041919,1 1.649,2 6.545,3 2.417,4 5.841,5 80.54,6 9.072,7 0.731,8 3.659,9 3.76,10 3.398,11 3.274,12 4.881,13 3.296,14 4.166,15 4.281,16 3.852,17 3.737,18 5.411,19 3.747,20 4.342,21 4.465,22 3.903,23 3.826,24 5.585,25 3.826,26 4.427,27 4.583,28 3.958,29 3.811,30 5.789,31 3.816,32 4.369,33 4.533,34 3.843,35 3.676,36 5.716,37 3.683,38 4.232,39 4.402,40 3.475,41 3.449,42 5.583,43 3.423,44 4.022,45 4.248,46 3.002,47 3.07,48 5.254,49 3.008,50 3.596,51 3.842,52 2.133,53 2.463,54 4.803,55 2.333,56 0.105,57 0.52,58 4.05,59 2.372,60 7.254,61 2.325,62 0.213,63 0.836,64 7.786,65 4.311,66 19.509,67 4.705,68 0.218,69 0.955,70 9.823,71 5.446,72 29.7,73 5.639,74 0.4,75 1.068,76 12.744,77 5.885,78 56.314,79 6.747,80 0.38,81 0.992,82 12.387,83 5.461,84 36.447,85 6.208,86 0.393,87 0.822,88 11.195,89 4.686,90 40.175,91 4.611,92 0.32,93 0.635,94 12.063,95 4.368,96 43.277,97 4.918,98 0.262,99 0.4,100 8.341,101 2.774,102 34.52,103 2.893,104 10,105 41,106 0.296,107 0.701,108 0.822,109 0.86,110 0.871,111 0.871,112 3.151,113 0.799,114 -2.97,115 -2.98,116 -2.87,119 50,120 1,133 3,134 6,137 1,142 1,143 2,147 2,157 1,159 8,162 4,164 2,166 7,168 11,172 4,176 5,178 10,181 2,182 4,185 2,186 1,187 6,190 7,193 1,194 4,197 2,198 2,199 3,202 6,206 5,209 2,211 4,213 3,217 6,222 4,229 3,234 1,255 498,256 15.016,257 15.016,258 15.016,259 15.016,260 15.016,261 12.71,262 7.978,263 8.391,264 15.131,265 12.854,266 12.854,267 12.854,268 12.854,269 12.854,270 9.105,271 6.322,272 3.989,273 13.016,274 3.351,275 1.094,276 0.422,277 0.211,278 0.149,279 0.149,280 3.862,283 1,284 1,285 329,286 2.345,288 71.059,289 57.316,291 166.475,294 167.89,295 0.95,296 25.57,298 1,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 48,307 144,308 4.958,309 3.854,310 7.321,311 4.504,312 3.512,313 5.089,314 1.2,315 13.198,316 3.482,317 4.426,318 3.305,319 6.61,320 3.974,321 2.984,322 4.297,323 0.8,324 10.511,325 2.949,326 4.152,327 3.246,328 6.329,329 3.718,330 2.729,331 3.728,333 9.464,334 2.694,335 3.777,336 2.836,337 5.782,338 3.346,339 2.348,340 3.316,342 7.596,343 2.343,344 3.441,345 2.418,346 5.034,347 3.019,348 2.018,349 2.799,351 5.838,352 2.017,353 3.223,354 2.159,355 5,356 2.752,357 1.761,358 2.475,360 5.399,361 1.739,362 3.174,363 1.949,364 4.914,365 2.692,366 1.685,367 2.346,369 4.989,370 1.678,371 2.874,372 1.491,373 4.506,374 2.379,375 1.397,376 2.004,378 4.056,379 1.367,380 2.508,381 1.101,382 3.871,383 1.973,384 0.992,385 1.485,386 2.392,387 0.969,388 2.24,389 0.833,390 3.638,391 1.714,392 0.75,393 1.109,394 2.118,395 0.721,396 2.015,397 0.761,398 3.37,399 1.517,400 0.549,401 0.789,402 1.493,403 0.53,404 1.235,405 0.595,406 2.878,407 0.788,408 -0.212,409 -0.286,411 -0.562,412 -0.211,413 1,414 0.204,415 2.595,416 0.531,417 -0.5,418 -0.695,420 -1.301,421 -0.507,422 0.951,423 -0.124,424 2.401,425 0.497,426 -0.577,427 -0.838,429 -1.456,430 -0.614,431 0.623,432 -0.761,433 2.344,434 0.151,435 -0.834,436 -1.2,438 -2.386,439 -0.821,440 10.267,441 0.467,442 0.696,443 0.032,444 32,445 1.455,446 17,447 0.773,448 15,449 0.682,450 14.877,451 0.676,452 21.533,453 0.673,454 22.531,455 1.024,456 6.332,457 0.288,458 4.316,459 0.196,460 0.114,462 0.536,466 0.688,467 0.9,468 0.618,469 0.718,470 0.522,471 0.65,472 0.53,473 0.979,474 0.579,475 0.795,476 0.494,477 0.717,478 0.905,479 1.146,480 0.856,481 1.085,482 0.936,483 0.994,484 0.629,485 1.008,486 0.731,487 0.975,488 0.601,489 0.9,490 0.789,491 1.087,492 0.847,493 1.094,494 0.843,495 1.012,496 1.343,497 1.061,498 1.401,499 1.212,500 1.372,501 1.295,502 1.425,503 1.053,504 1.334,505 1.136,506 1.461,507 1.204,508 1.832,509 0.982,510 1.854,511 1.239,512 1.862,513 1.486,514 4,516 2.667,517 2.229,518 1.95,519 1.122,520 0.497,521 0.237,522 0.052,524 4392,525 12867,526 2.229,527 31.3,528 3,529 3,530 1,532 3,536 1.657,537 2.063,538 2.727,539 1.069,541 1,543 1,545 52.781,546 1.649,547 3.906,548 4.578,549 4.789,550 4.851,551 4.851,552 2.117,553 4.187,554 4.435,555 2.805,556 647.984,557 7.677,558 6640.8,559 1,560 1,562 1,563 160,564 1.423,565 4.387,566 0.154,568 0.065,569 0.053,570 0.045,571 0.03,572 0.021,573 0.017,574 0.013,576 0.398,577 0.67,578 0.88,579 0.595,580 95.656,581 -0.067,582 0.173,583 0.012,584 0.144,585 -0.061,586 0.115,587 0.116,588 0.034,589 0.135,590 0.115,591 0.056,592 0.126,593 -0.104,594 -0.192,595 -0.067,596 -0.143,597 -0.107,598 -0.108,599 0.24,600 -0.016,601 0.171,602 -0.031,603 0.214,604 0.03,605 0.191,606 -0.094,607 0.104,608 -0.152,609 0.106,610 -0.075,611 -0.161,612 -0.095,613 -0.397,614 -0.254,615 -0.119,616 -0.35,617 -0.23,618 -0.166,619 -0.101,620 -0.08,621 -0.16,622 -0.066,623 -0.439,624 -0.095,625 -0.521,626 -0.172,627 -0.324,628 -0.321,629 2.055,630 5.298,631 0.864,632 12.331,633 1.022,634 1.114,635 1.743,636 3.038,637 0.726,638 3.296,639 3.738,640 4.159,641 4.605,642 4.927,643 5.187,644 5.447,645 5.656,646 5.724,647 5.784,648 4.154,649 0.722,650 290.3,651 3.296,652 4.905,653 5.838,654 6.799,655 7.755,656 8.723,657 9.687,658 10.657,659 11.624,660 12.595,661 12.5,668 1,669 2,671 1,674 6,675 4,676 1,677 2,680 3,682 19,699 32,700 21,701 2,702 26,704 36,705 16,706 13,707 9,708 3,709 2,710 5,711 17,715 1,721 15,722 1,724 2,728 2,731 2,732 1,733 1,736 10,737 4,738 3,739 6,743 4,746 1,747 0.2,748 2,752 1,756 1,759 3,760 2,762 4,765 3,777 1,781 1,785 22,790 1,801 6.3,804 2,808 10.667,809 6.367,810 4.528,811 1.919,812 4.311,813 1.532,814 1.156,815 2.04,816 12.414,817 3.651,818 4.431,819 5.227,820 6.044,821 6.75,822 7.378,823 8.003,824 8.577,825 8.985,826 9.4,827 1,828 42,829 8.156,831 3.816,832 7.902,833 15.287,835 13.591,837 2.402,838 52.833,842 82.398,843 79.419,844 68.122,846 50.29,849 79.419,850 132.688,851 68.122,852 8.825,853 18.011,854 37.476,855 76.362,856 52.868,857 16.059,858 70.627,860 82.398,861 147.541,862 50.29,865 82.398,866 50.29,869 62.429,870 68.449,871 16.663,873 82.398,874 118.412,875 79.419,878 82.398,879 33.117,880 46.301,881 51.459,882 66.953,883 82.398,884 118.412,885 79.419,887 0.608,888 0.378,889 0.233,890 0.135,891 26,892 11,895 4,896 1.421,897 3.278,898 209.146,899 0.421,900 19,901 98.107,904 11.951,905 3.756,906 1.351,907 4.823,908 84.964,909 7.764,910 4.155,911 6.137,914 1.867,916 51.459,917 280.229,918 37.5,922 24.459,925 -0.752,926 32.713,927 35.658,928 0.33,929 0.781,930 0.916,931 0.958,932 0.97,933 0.97,934 4.933,935 1.397,936 5.878,937 4.989,938 4.419,939 5.118,940 1.641,941 6.836,942 4.396,943 6.221,944 0.992,945 7.521,946 4.056,947 4.205,948 5.231,950 7.978,951 4.192,952 7.598,953 0.75,954 9.264,955 2.392,956 6.146,957 7.575,958 1.786,959 11.197,960 6.104,961 9.017,962 0.549,963 11.065,964 2.118,965 6.758,966 8.534,968 13.19,969 6.719,970 10.469,971 -0.212,972 12.904,973 1.493,974 8.21,975 10.381,976 2.014,977 15.945,978 8.151,979 11.947,980 -0.5,981 14.771,982 -0.562,983 9.182,984 11.712,986 18.282,987 9.12,988 13.446,989 -0.577,990 16.657,991 -1.301,992 10.471,993 13.39,994 2.296,995 20.896,996 10.395,997 3.512,998 -0.834,999 18.56,1000 -1.456,1001 11.596,1002 14.883,1004 23.371,1005 11.515,1006 2.984,1007 13.198,1008 20.475,1009 -2.386,1010 12.838,1011 16.507,1012 2.61,1013 25.947,1014 12.746,1015 2.729,1016 10.511,1017 22.4,1018 5.089,1019 14.027,1020 18.069,1022 28.478,1023 13.928,1024 2.348,1025 9.464,1026 24.334,1027 4.297,1028 15.26,1029 19.68,1030 2.943,1031 31.046,1032 15.152,1033 2.018,1034 7.596,1035 26.275,1036 3.728,1037 16.478,1038 21.272,1040 33.602,1041 16.363,1042 1.761,1043 5.838,1044 28.223,1045 3.316,1046 17.714,1047 22.884,1048 3.287,1049 36.172,1050 17.59,1051 1.685,1052 5.399,1053 30.175,1054 2.799,1055 18.947,1056 24.49,1058 38.739,1059 18.815,1060 4080,1061 7108,1062 17.63,1063 23.216,1064 41.848,1065 43.296,1066 43.368,1067 41.348,1068 41.45,1069 58.872,1070 4,1071 134.109,1072 40.981,1073 5.799,1074 5.854,1075 6.792,1076 5.546,1077 5.512,1078 8.089,1079 2.4,1080 21.198,1081 5.482,1082 9.589,1083 1.61,1084 1.665,1085 1.668,1086 1.59,1087 1.594,1088 2.264,1089 0.154,1090 5.158,1091 1.576,1092 4.291,1093 4.317,1094 4.274,1095 4.213,1096 7.45,1097 4.225,1098 3.904,1099 3.943,1100 3.865,1101 3.804,1102 7.408,1103 3.813,1104 3.647,1105 3.687,1106 3.615,1107 3.424,1108 5.134,1109 3.465,1110 3.443,1111 3.508,1112 3.352,1113 3.281,1114 4.854,1115 3.292,1116 3.037,1117 3.098,1118 2.937,1119 2.9,1120 4.326,1121 2.894,1122 2.881,1123 2.918,1124 2.839,1125 2.585,1126 4.081,1127 2.639,1128 2.808,1129 2.851,1130 2.628,1131 2.573,1132 3.755,1133 2.582,1134 2.662,1135 2.717,1136 2.566,1137 2.419,1138 3.57,1139 2.457,1140 0.191,1141 0.148,1142 0.282,1143 0.173,1144 0.135,1145 4.958,1146 0.196,1147 3.854,1148 0.046,1149 7.321,1150 0.508,1151 4.504,1152 0.134,1153 3.512,1154 5.089,1155 1.2,1156 13.198,1157 3.482,1158 2.015,1159 2.007,1160 2.07,1161 2.051,1162 1.295,1163 2.057,1164 1.903,1165 1.876,1166 1.964,1167 2.013,1168 1.134,1169 2.001,1170 1.404,1171 1.345,1172 1.581,1173 1.713,1174 0.674,1175 1.661,1176 1.334,1177 1.307,1178 1.5,1179 1.628,1180 0.478,1181 1.564,1182 1.254,1183 1.176,1184 1.401,1185 1.508,1186 0.402,1187 1.521,1188 0.997,1189 0.96,1190 1.165,1191 1.214,1192 0.172,1193 1.204,1194 0.93,1195 0.876,1196 1.136,1197 1.138,1198 0.153,1199 1.137,1200 0.732,1201 0.662,1202 0.891,1203 0.99,1205 0.974,1206 3.97,1208 5.38,1209 3.434,1210 6.984,1211 5.861,1212 8.689,1213 8.032,1214 10.455,1216 2,1223 2.38,1231 23.096,1232 52.781,1233 124.98,1234 146.49,1235 153.245,1236 155.245,1237 155.245,1238 33.161,1239 8.103,1240 94.4,1241 94.4,1242 27,1243 13.072,1244 4.459,1245 3.644,1246 26.575,1247 56,1248 55,1249 0.252,1250 136.104,1251 217.78,1252 323.854,1253 33595,1255 15.008,1256 0.682,1257 0.526,1258 15.008,1259 11.573,1260 10.648,1261 0.41,1262 0.266,1263 6.828,1264 10.256,1265 6.679,1266 5.482,1267 10.648,1268 6.921,1269 10.423,1270 0.254,1271 0.137,1272 10.423,1273 5.605,1274 9.49,1275 0.151,1276 0.068,1277 9.49,1278 4.282,1279 9.137,1280 0.092,1281 0.034,1282 9.137,1283 3.358,1284 7.813,1285 0.057,1286 0.018,1287 7.813,1288 2.411,1289 0.363,1290 66.813,1291 0.238,1292 20.405,1293 0.808,1294 134,1295 392.115,1296 145.645,1297 383.276,1298 537.59,1299 358,1300 171,1301 413.949,1302 183.23,1303 419.797,1304 631.29,1305 397,1306 5.854} {0 CHEMBL2088658,1 1.801,2 5.5,3 2.142,4 4.59,5 55.5,6 9.051,7 0.833,8 3.359,9 3.461,10 3.075,11 2.91,12 4.664,13 2.941,14 3.814,15 3.945,16 3.484,17 3.291,18 5.146,19 3.321,20 3.996,21 4.147,22 3.529,23 3.337,24 5.411,25 3.367,26 3.973,27 4.154,28 3.36,29 3.24,30 5.247,31 3.246,32 3.828,33 4.027,34 3.081,35 2.988,36 5.171,37 2.96,38 3.64,39 3.843,40 2.723,41 2.562,42 5.093,43 2.559,44 3.352,45 3.671,46 1.857,47 1.924,48 4.866,49 1.767,50 2.101,51 2.487,52 0.263,53 0.676,54 3.091,55 0.523,56 0.125,57 0.455,58 3.246,59 1.972,60 12.258,61 1.925,62 0.198,63 0.718,64 5.991,65 3.185,66 17.168,67 3.518,68 0.383,69 0.826,70 8.233,71 3.56,72 43.092,73 3.528,74 0.306,75 0.76,76 8.526,77 3.539,78 34.138,79 3.784,80 0.273,81 0.64,82 8.086,83 3.428,84 28.791,85 4.065,86 0.351,87 0.486,88 7.822,89 2.646,90 40.683,91 2.71,92 0.451,93 0.333,94 9.227,95 2.353,96 63.959,97 3.066,98 0.119,99 0.083,100 3.35,101 0.733,102 18.83,103 0.987,104 10,105 27,106 0.356,107 0.755,108 0.827,109 0.866,110 0.866,111 0.866,112 2.858,113 0.799,114 -2.79,115 -2.8,116 -2.71,119 45.8,120 1,133 3,134 2,135 1,137 3,144 1,157 1,159 3,162 5,165 1,168 4,172 3,174 3,176 3,178 4,181 1,182 2,187 2,190 2,194 1,199 5,202 1,206 1,211 2,213 1,255 208,256 10.654,257 10.654,258 10.654,259 10.654,260 10.654,261 8.85,262 6.21,263 6.032,264 10.888,265 8.866,266 8.866,267 8.866,268 8.866,269 8.866,270 6.161,271 3.296,272 2.863,273 9.268,274 2.784,275 0.761,276 0.396,277 0.198,278 0.198,279 0.198,280 3.526,284 1,285 190,286 1.871,288 18.584,289 54.752,291 77.239,295 0.875,296 21.795,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 36,307 88,308 4.8,309 3.375,310 6.997,311 4.296,312 3.319,313 4.907,315 11.924,316 3.243,317 4.046,318 2.899,319 5.941,320 3.558,321 2.599,322 3.736,324 8.212,325 2.488,326 3.623,327 2.511,328 5.521,329 3.168,330 2.22,331 3.078,333 6.856,334 2.098,335 3.502,336 2.389,337 4.958,338 3.028,339 2.1,340 2.891,342 5.801,343 1.929,344 3.047,345 1.631,346 4.558,347 2.547,348 1.574,349 2.301,351 4.395,352 1.528,353 2.765,354 1.397,355 4.324,356 2.26,357 1.304,358 1.884,360 3.728,361 1.242,362 2.057,363 0.742,364 3.368,365 1.542,366 0.597,367 0.859,369 1.528,370 0.56,371 1.461,372 0.521,373 2.759,374 1.119,375 0.162,376 0.2,378 0.353,379 0.154,380 1.061,381 0.185,382 2.524,383 0.601,384 -0.307,385 -0.396,386 -0.782,387 -0.27,388 0.624,389 -0.56,390 2.36,391 0.132,392 -0.853,393 -1.163,394 -2.364,395 -0.821,396 0.444,397 -0.806,398 2.265,399 -0.073,400 -1,401 -1.255,402 -2.608,403 -0.895,404 0.188,405 -0.882,406 1.83,407 -0.099,408 -1,409 -1.419,411 -2.977,412 -0.927,413 -0.025,414 -1.189,415 1.49,416 -0.451,417 -1.354,418 -1.854,420 -3.794,421 -1.244,422 -0.244,423 -1.386,424 1.376,425 -0.611,426 -1.558,427 -2.102,429 -4.04,430 -1.481,431 -0.411,432 -1.87,433 1.251,434 -0.898,435 -1.887,436 -2.807,438 -5.779,439 -1.792,440 7.319,441 0.457,442 0.507,443 0.032,444 23,445 1.438,446 12.5,447 0.781,448 10.5,449 0.656,450 9.413,451 0.588,452 16.681,453 0.695,454 14.244,455 0.89,456 4.664,457 0.291,458 3.001,459 0.188,460 0.153,462 0.478,464 1,466 0.715,467 0.853,468 0.636,469 0.805,470 0.697,471 0.725,472 0.604,473 1.055,474 0.542,475 0.918,476 0.549,477 0.766,478 1.027,479 0.991,480 0.967,481 0.876,482 1.01,483 0.884,484 0.952,485 1.003,486 1.063,487 1.074,488 0.855,489 1.08,490 0.808,491 1.103,492 1.052,493 1.37,494 0.783,495 1.33,496 1.491,497 1.123,498 1.415,499 1.27,500 1.521,501 1.331,502 1.314,503 0.797,504 1.344,505 0.724,506 1.544,507 0.961,508 2.208,509 0.773,510 1.274,511 0.006,512 2.562,513 0.191,514 3.5,516 2.222,517 1.604,518 1.338,519 0.424,520 0.198,521 0.028,524 1744,525 6240,526 2.097,527 33.3,529 3,532 2,533 3,536 1.559,537 1.92,538 2.543,539 0.512,543 1,545 43.23,546 1.801,547 3.824,548 4.189,549 4.387,550 4.387,551 4.387,552 1.954,553 4,554 3.976,555 2.581,556 309.764,557 6.732,558 2585.21,560 1,563 110.039,564 1.505,565 3.912,566 0.194,568 0.082,569 0.059,570 0.061,571 0.028,572 0.022,573 0.014,576 0.461,577 0.67,578 1,579 0.703,580 61.673,581 -0.077,582 0.071,583 -0.01,584 0.124,585 -0.12,586 0.092,587 0.035,588 -0.138,589 0.179,590 0.023,591 0.044,592 0.116,593 -0.094,594 0.035,595 -0.154,596 0.039,597 -0.097,598 -0.044,599 -0.152,600 -0.086,601 -0.193,602 -0.166,603 -0.108,604 -0.174,605 0.046,606 -0.227,607 -0.07,608 -0.407,609 0.068,610 -0.323,611 -0.193,612 -0.253,613 -0.284,614 -0.32,615 -0.184,616 -0.353,617 0.282,618 0.336,619 0.22,620 0.373,621 0.204,622 0.306,623 -0.309,624 0.578,625 0.671,626 1.24,627 -0.379,628 1.339,629 1.992,630 5.156,631 0.813,632 7.5,633 1.033,634 1.137,635 1.557,636 2.425,637 0.696,638 2.944,639 3.332,640 3.664,641 4.007,642 4.29,643 4.344,644 4.382,645 4.5,646 4.263,647 3.951,648 3.557,649 0.698,650 217.22,651 2.944,652 4.511,653 5.398,654 6.319,655 7.232,656 8.157,657 9.079,658 10.005,659 10.929,660 11.856,661 12.5,669 1,671 2,674 4,675 3,676 2,677 1,680 3,682 15,696 1,698 1,699 24,700 15,701 1,702 18,704 26,705 11,706 10,707 3,708 3,710 3,711 6,715 1,721 10,722 1,733 1,734 1,736 8,737 4,738 2,739 5,743 3,747 0.333,748 1,753 1,756 1,759 1,760 2,762 2,777 1,781 1,783 1,785 16,788 1,800 1,801 4.2,803 1,808 8.333,809 4.743,810 3.389,811 1.355,812 3.256,813 1.5,814 1.017,815 1.808,816 9.775,817 3.277,818 4.047,819 4.79,820 5.538,821 6.202,822 6.64,823 7.094,824 7.589,825 7.706,826 7.834,827 0.75,828 27,829 5.89,831 2.633,832 8.135,833 10.8,835 9.025,837 2.635,838 42.167,839 0.001,842 70.627,843 58.566,844 50.112,846 42.683,847 14.96,849 58.566,850 113.31,851 65.072,852 8.825,854 28.429,855 76.132,856 37.975,857 14.96,858 70.627,860 70.627,861 108.677,862 57.643,865 85.587,866 42.683,869 32.533,870 42.696,871 33.449,873 85.587,874 92.795,875 58.566,878 70.627,879 21.312,880 37.254,881 16.663,882 91.092,883 70.627,884 107.755,885 58.566,887 0.601,888 0.362,889 0.205,890 0.125,891 16,892 7,895 2,896 1.308,897 2.748,898 119.238,899 0.308,900 13,901 64,904 9.399,905 3.078,906 1.264,907 2.43,908 91.092,909 4.333,910 8.15,911 2.467,914 0.256,916 59.346,917 236.948,918 25.5,926 24.796,927 27.29,928 0.393,929 0.834,930 0.914,931 0.957,932 0.957,933 0.957,934 4.519,935 0.162,936 5.425,937 1.528,938 4.007,939 4.732,941 6.315,942 3.925,943 5.801,944 -0.307,945 7.034,946 0.353,947 3.761,948 4.808,950 7.361,951 3.63,952 7.163,953 -0.853,954 8.743,955 -0.782,956 5.673,957 7.176,959 10.521,960 5.532,961 8.566,962 -1,963 10.509,964 -2.364,965 6.217,966 8.076,968 12.42,969 6.043,970 10.001,971 -1,972 12.313,973 -2.608,974 7.659,975 9.95,977 15.124,978 7.475,979 11.461,980 -1.354,981 14.144,982 -2.977,983 8.566,984 11.236,986 17.379,987 8.36,988 12.941,989 -1.558,990 15.997,991 -3.794,992 9.839,993 12.924,995 19.931,996 9.618,997 3.319,998 -1.887,999 17.866,1000 -4.04,1001 10.911,1002 14.386,1004 22.326,1005 10.671,1006 2.599,1007 11.924,1008 19.75,1009 -5.779,1010 12.126,1011 16.006,1013 24.828,1014 11.869,1015 2.22,1016 8.212,1017 21.644,1018 4.907,1019 13.27,1020 17.542,1022 27.275,1023 12.993,1024 2.1,1025 6.856,1026 23.548,1027 3.736,1028 14.468,1029 19.139,1031 29.76,1032 14.172,1033 1.574,1034 5.801,1035 25.459,1036 3.078,1037 15.642,1038 20.706,1040 32.227,1041 15.325,1042 1.304,1043 4.395,1044 27.376,1045 2.891,1046 16.837,1047 22.297,1049 34.708,1050 16.499,1051 0.597,1052 3.728,1053 29.298,1054 2.301,1055 18.024,1056 23.877,1058 37.182,1059 17.665,1060 1753,1061 3389,1062 11.849,1063 16.693,1064 27.931,1065 28.25,1066 29.335,1067 27.838,1068 27.754,1069 39.711,1071 85.592,1072 26.481,1073 5.3,1074 5.375,1075 6.312,1076 5.332,1077 5.319,1078 7.907,1080 19.214,1081 5.243,1082 7.635,1083 1.552,1084 1.569,1085 1.63,1086 1.547,1087 1.542,1088 2.206,1090 4.755,1091 1.471,1092 4.186,1093 4.214,1094 4.169,1095 4.098,1096 8.201,1097 4.112,1098 3.708,1099 3.757,1100 3.662,1101 3.551,1102 6.475,1103 3.569,1104 3.239,1105 3.312,1106 3.125,1107 3.051,1108 5.054,1109 3.054,1110 3.123,1111 3.19,1112 3.065,1113 2.856,1114 4.654,1115 2.9,1116 2.891,1117 2.954,1118 2.756,1119 2.758,1120 4.072,1121 2.75,1122 2.577,1123 2.649,1124 2.407,1125 2.188,1126 3.882,1127 2.23,1128 2.251,1129 2.319,1130 2.13,1131 2.041,1132 3.639,1133 2.041,1134 2.112,1135 2.205,1136 1.935,1137 1.604,1138 3.053,1139 1.685,1140 0.267,1141 0.187,1142 0.389,1143 0.239,1144 0.184,1145 4.8,1146 0.273,1147 3.375,1149 6.997,1150 0.662,1151 4.296,1152 0.18,1153 3.319,1154 4.907,1156 11.924,1157 3.243,1158 1.964,1159 1.945,1160 2.027,1161 2.072,1162 1.196,1163 2.053,1164 1.783,1165 1.745,1166 1.865,1167 1.957,1168 0.921,1169 1.934,1170 1.217,1171 1.148,1172 1.51,1173 1.463,1174 0.562,1175 1.487,1176 0.955,1177 0.892,1178 1.169,1179 1.223,1180 0.207,1181 1.195,1182 0.894,1183 0.844,1184 1.015,1185 1.082,1186 0.081,1187 1.074,1188 0.587,1189 0.497,1190 0.823,1191 0.9,1193 0.874,1194 0.318,1195 0.249,1196 0.674,1197 0.808,1199 0.778,1202 0.358,1203 0.283,1205 0.305,1206 3.611,1208 4.977,1209 2.398,1210 6.547,1211 4.844,1212 8.215,1213 7.081,1214 9.936,1216 1.782,1218 13.156,1221 9.592,1231 16.743,1232 43.23,1233 91.774,1234 100.529,1235 105.284,1236 105.284,1237 105.284,1238 23.872,1239 6.519,1240 61.8,1241 61.8,1242 17,1243 12.361,1244 4,1245 3.087,1246 21.574,1247 35,1248 31,1249 0.339,1250 102.119,1251 161.1,1252 240.93,1253 4632,1254 4.2,1255 11.284,1256 0.705,1257 0.528,1258 10.414,1259 8.452,1260 7.665,1261 0.426,1262 0.266,1263 4.709,1264 7.286,1265 4.602,1266 3.794,1267 7.271,1268 4.795,1269 7.351,1270 0.272,1271 0.135,1272 6.717,1273 3.655,1274 6.339,1275 0.167,1276 0.069,1277 5.997,1278 2.613,1279 5.464,1280 0.101,1281 0.035,1282 5.248,1283 1.893,1284 4.868,1285 0.068,1286 0.018,1287 4.563,1288 1.297,1289 0.485,1290 48.748,1291 0.291,1292 15.401,1293 1.091,1294 90,1295 335.884,1296 101.54,1297 301.573,1298 408.35,1299 280,1300 110,1301 305.632,1302 121.287,1303 302.439,1304 445.88,1305 285,1306 5.252} {0 CHEMBL2088659,1 1.671,2 6.235,3 1.921,4 3.688,5 61.747,6 8.188,7 0.789,8 3.49,9 3.593,10 3.135,11 3,12 4.715,13 3.021,14 3.961,15 4.107,16 3.51,17 3.37,18 5.139,19 3.387,20 4.072,21 4.211,22 3.578,23 3.454,24 5.353,25 3.464,26 4.132,27 4.308,28 3.432,29 3.431,30 5.267,31 3.399,32 4.086,33 4.307,34 3.162,35 3.248,36 5.155,37 3.168,38 3.895,39 4.102,40 2.897,41 2.927,42 5.066,43 2.871,44 3.688,45 3.96,46 2.27,47 2.548,48 4.704,49 2.393,50 3.099,51 3.376,52 1.571,53 1.987,54 4.025,55 1.819,56 0.096,57 0.432,58 4.977,59 2.373,60 8.206,61 2.694,62 0.218,63 0.66,64 9.535,65 3.735,66 16.357,67 4.572,68 0.299,69 0.745,70 10.202,71 3.92,72 26.702,73 4.655,74 0.22,75 0.768,76 11.397,77 4.376,78 17.391,79 5.506,80 0.221,81 0.654,82 12.543,83 4.695,84 19.581,85 6.395,86 0.288,87 0.501,88 10.824,89 3.5,90 30.382,91 4.406,92 0.367,93 0.371,94 10.333,95 2.851,96 28.856,97 4.024,98 0.128,99 0.207,100 5.506,101 1.57,102 11.107,103 2.216,104 11,105 28,106 0.32,107 0.721,108 0.822,109 0.854,110 0.854,111 0.854,112 2.912,113 0.824,114 -2.14,115 -2.18,116 -2.16,119 42.9,120 1,123 1,133 3,134 2,135 1,137 3,144 1,157 1,159 3,162 7,165 1,168 4,172 5,174 3,176 3,178 4,181 1,182 3,187 2,190 2,193 1,194 1,199 5,202 1,205 1,206 2,211 2,213 1,220 2,255 252,256 11.525,257 11.525,258 11.525,259 11.525,260 11.525,261 9.773,262 8.895,263 6.534,264 11.874,265 9.293,266 9.293,267 9.293,268 9.293,269 9.293,270 6.583,271 7.285,272 3.01,273 9.763,274 3.137,275 1.036,276 0.509,277 0.34,278 0.34,279 0.34,280 3.584,284 1,285 228,286 2.121,288 20.686,289 60.577,291 85.628,295 0.983,296 15.701,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 37.5,307 106,308 4.8,309 3.371,310 6.998,311 4.298,312 3.321,313 4.908,314 0.86,315 11.927,316 3.245,317 4.059,318 2.852,319 5.951,320 3.585,321 2.626,322 3.744,324 8.276,325 2.515,326 3.623,327 2.507,328 5.524,329 3.17,330 2.225,331 3.078,333 6.866,334 2.098,335 3.566,336 2.389,337 5.218,338 3.124,339 2.188,340 2.953,342 6.461,343 2.035,344 3.049,345 1.635,346 4.559,347 2.55,348 1.577,349 2.304,351 4.395,352 1.531,353 2.77,354 1.416,355 4.338,356 2.268,357 1.313,358 1.89,360 3.765,361 1.249,362 2.099,363 1.08,364 3.374,365 1.626,366 0.703,367 0.943,369 1.613,370 0.643,371 1.583,372 0.628,373 2.846,374 1.245,375 0.36,376 0.433,378 0.612,379 0.317,380 1.447,381 0.475,382 2.755,383 1.114,384 0.153,385 0.189,386 0.331,387 0.146,388 0.848,389 -0.256,390 2.442,391 0.389,392 -0.552,393 -0.728,394 -1.3,395 -0.513,396 0.615,397 -0.616,398 2.339,399 0.126,400 -0.865,401 -1.198,402 -2.404,403 -0.848,404 0.378,405 -0.829,406 2.092,407 -0.098,408 -1,409 -1.269,411 -2.636,412 -0.898,413 0.179,414 -0.962,415 1.638,416 -0.15,417 -1.098,418 -1.527,420 -3.464,421 -1.031,422 -0.225,423 -1.243,424 1.484,425 -0.583,426 -1.515,427 -1.926,429 -3.891,430 -1.375,431 -0.306,432 -1.403,433 1.324,434 -0.71,435 -1.613,436 -2.123,438 -4.295,439 -1.498,440 7.867,441 0.463,442 0.469,443 0.028,444 24.25,445 1.426,446 13,447 0.765,448 11.25,449 0.662,450 10.462,451 0.615,452 17.933,453 0.64,454 15.186,455 0.893,456 4.945,457 0.291,458 3.258,459 0.192,460 0.169,462 0.445,466 0.916,467 1.084,468 0.721,469 0.962,470 0.971,471 0.83,472 0.957,473 1.059,474 0.645,475 0.768,476 0.682,477 0.664,478 1.013,479 1.017,480 0.916,481 0.902,482 0.925,483 0.886,484 0.931,485 1.157,486 1.086,487 1.183,488 0.883,489 1.157,490 0.69,491 1.138,492 0.974,493 1.269,494 0.679,495 1.202,496 1.389,497 1.147,498 1.256,499 1.219,500 1.795,501 1.226,502 1.038,503 0.722,504 1.268,505 0.895,506 0.908,507 1.093,508 1.214,509 0.962,510 1.375,511 1.128,512 0.989,513 1.257,514 3.5,516 2.222,517 1.604,518 1.378,519 0.486,520 0.294,521 0.075,522 0.02,524 2075,525 6303,526 2.091,527 39.3,529 6,532 2,533 3,536 1.577,537 1.925,538 2.679,539 0.468,541 1,543 1,545 46.778,546 1.671,547 3.771,548 4.298,549 4.468,550 4.468,551 4.468,552 2.184,553 3.97,554 4.06,555 2.732,556 371.542,557 6.899,558 3215.08,560 1,562 1,563 134.606,564 1.496,565 4.004,566 0.184,568 0.079,569 0.055,570 0.057,571 0.029,572 0.024,573 0.015,574 0.01,576 0.455,577 0.67,578 1,579 0.922,580 67.747,581 -0.073,582 0.049,583 0.027,584 0.033,585 -0.168,586 0.046,587 -0.04,588 -0.003,589 0.208,590 0.22,591 0.035,592 0.256,593 -0.029,594 0.094,595 -0.086,596 0.042,597 0.029,598 -0.025,599 -0.126,600 -0.101,601 -0.223,602 -0.233,603 -0.118,604 -0.24,605 0.09,606 -0.225,607 -0.003,608 -0.276,609 0.121,610 -0.18,611 -0.144,612 -0.266,613 -0.219,614 -0.272,615 -0.243,616 -0.271,617 0.153,618 0.091,619 -0.11,620 0.043,621 0.074,622 -0.066,623 -0.194,624 -0.145,625 -0.241,626 -0.19,627 -0.085,628 -0.217,629 1.68,630 3.711,631 0.765,632 8.969,633 1.018,634 1.128,635 0.909,636 0.826,637 0.678,638 2.996,639 3.367,640 3.714,641 4.043,642 4.331,643 4.419,644 4.489,645 4.605,646 4.443,647 4.19,648 3.841,649 0.664,650 229.26,651 2.996,652 4.554,653 5.442,654 6.358,655 7.272,656 8.195,657 9.116,658 10.042,659 10.967,660 11.894,661 10.7,669 1,671 2,674 4,675 3,676 2,677 1,680 3,682 15,696 1,697 1,699 28,700 15,701 1,702 19,704 30,705 12,706 10,707 3,708 3,710 3,711 6,715 1,721 10,722 2,733 1,736 11,737 4,738 2,739 5,743 3,747 0.333,748 2,753 1,756 1,759 1,760 2,762 2,777 1,781 2,785 17,788 1,791 1,801 7.1,803 1,806 1,808 8.833,809 5.767,810 3.722,811 1.528,812 3.255,813 1.49,814 0.985,815 2.194,816 9.897,817 3.314,818 4.065,819 4.814,820 5.555,821 6.222,822 6.679,823 7.147,824 7.644,825 7.802,826 7.955,827 1,828 29,829 6.225,831 2.671,832 7.833,833 11.688,835 9.544,837 2.333,838 39.667,839 0.001,842 105.94,843 65.571,844 50.112,846 53.683,849 65.571,850 159.623,851 50.112,852 19.708,854 28.429,855 76.132,856 45.097,858 105.94,860 105.94,861 115.683,862 53.683,865 105.94,866 53.683,869 32.533,870 49.701,871 33.449,873 105.94,874 103.795,875 65.571,878 105.94,879 17.434,880 48.137,881 16.663,882 87.132,883 105.94,884 103.795,885 65.571,887 0.591,888 0.366,889 0.204,890 0.123,891 16,892 7,893 0.033,894 1,895 2,896 1.308,897 2.849,898 128.561,899 0.308,900 13,901 69.487,904 10.355,905 3.602,906 1.447,907 3.158,908 87.132,909 5.615,910 8.403,911 2.544,914 1.549,916 59.346,917 275.306,918 26.5,926 28.494,927 31.575,928 0.348,929 0.784,930 0.894,931 0.929,932 0.929,933 0.929,934 4.551,935 0.36,936 5.46,937 1.613,938 4.043,939 4.749,940 0.908,941 6.347,942 3.958,943 5.822,944 0.153,945 7.067,946 0.612,947 3.761,948 4.808,950 7.394,951 3.646,952 7.181,953 -0.552,954 8.774,955 0.331,956 5.707,957 7.186,958 0.739,959 10.547,960 5.563,961 8.583,962 -0.865,963 10.539,964 -1.3,965 6.236,966 8.083,968 12.442,969 6.069,970 10.017,971 -1,972 12.342,973 -2.404,974 7.688,975 9.957,976 0.593,977 15.14,978 7.5,979 11.476,980 -1.098,981 14.171,982 -2.636,983 8.587,984 11.242,986 17.391,987 8.382,988 12.955,989 -1.515,990 16.021,991 -3.464,992 9.861,993 12.929,994 0.469,995 19.94,996 9.639,997 3.321,998 -1.613,999 17.888,1000 -3.891,1001 10.929,1002 14.39,1004 22.333,1005 10.689,1006 2.626,1007 11.927,1008 19.769,1009 -4.295,1010 12.143,1011 16.009,1012 0.366,1013 24.834,1014 11.886,1015 2.225,1016 8.276,1017 21.661,1018 4.908,1019 13.284,1020 17.545,1022 27.28,1023 13.008,1024 2.188,1025 6.866,1026 23.562,1027 3.744,1028 14.481,1029 19.142,1030 0.283,1031 29.765,1032 14.186,1033 1.577,1034 6.461,1035 25.471,1036 3.078,1037 15.654,1038 20.709,1040 32.232,1041 15.338,1042 1.313,1043 4.395,1044 27.387,1045 2.953,1046 16.848,1047 22.299,1048 0.217,1049 34.712,1050 16.512,1051 0.703,1052 3.765,1053 29.307,1054 2.304,1055 18.034,1056 23.879,1058 37.186,1059 17.678,1060 2090,1061 3727,1062 12.542,1063 18.972,1064 28.888,1065 29.617,1066 30.661,1067 28.904,1068 28.936,1069 40.884,1070 1.72,1071 88.493,1072 27.556,1073 5.355,1074 5.371,1075 6.545,1076 5.333,1077 5.321,1078 7.908,1079 1.72,1080 19.219,1081 5.245,1082 8.131,1083 1.52,1084 1.559,1085 1.614,1086 1.521,1087 1.523,1088 2.152,1089 0.091,1090 4.658,1091 1.45,1092 4.186,1093 4.213,1094 4.168,1095 4.099,1096 6.475,1097 4.112,1098 3.715,1099 3.758,1100 3.662,1101 3.556,1102 5.085,1103 3.575,1104 3.298,1105 3.361,1106 3.183,1107 3.067,1108 4.769,1109 3.076,1110 3.222,1111 3.294,1112 3.083,1113 2.962,1114 4.529,1115 2.987,1116 3.005,1117 3.086,1118 2.847,1119 2.809,1120 3.988,1121 2.808,1122 2.847,1123 2.92,1124 2.675,1125 2.678,1126 3.882,1127 2.669,1128 2.564,1129 2.633,1130 2.373,1131 2.179,1132 3.639,1133 2.216,1134 2.215,1135 2.287,1136 2.066,1137 2.037,1138 3.143,1139 2.034,1140 0.253,1141 0.177,1142 0.368,1143 0.226,1144 0.175,1145 4.8,1146 0.258,1147 3.371,1148 0.045,1149 6.998,1150 0.628,1151 4.298,1152 0.171,1153 3.321,1154 4.908,1155 0.86,1156 11.927,1157 3.245,1158 1.965,1159 1.948,1160 2.031,1161 2.073,1162 1.203,1163 2.054,1164 1.785,1165 1.748,1166 1.869,1167 1.962,1168 0.929,1169 1.939,1170 1.248,1171 1.188,1172 1.57,1173 1.536,1174 0.575,1175 1.545,1176 1.167,1177 1.086,1178 1.508,1179 1.442,1180 0.562,1181 1.473,1182 0.954,1183 0.892,1184 1.169,1185 1.204,1186 0.208,1187 1.187,1188 0.824,1189 0.755,1190 0.993,1191 1.028,1192 0.096,1193 1.032,1194 0.576,1195 0.487,1196 0.821,1197 0.867,1199 0.848,1200 0.318,1201 0.248,1202 0.674,1203 0.795,1205 0.777,1206 3.664,1208 5.017,1209 2.398,1210 6.583,1211 4.844,1212 8.249,1213 7.081,1214 9.967,1216 3.495,1221 9.711,1224 5.192,1231 18.601,1232 46.778,1233 105.586,1234 120.341,1235 125.096,1236 125.096,1237 125.096,1238 20.314,1239 6.642,1240 71.03,1241 71.03,1242 17,1243 12.398,1244 4,1245 3.087,1246 23.526,1247 40,1248 42,1249 0.321,1250 114.509,1251 181.12,1252 271.163,1253 5423,1255 11.991,1256 0.705,1257 0.558,1258 11.991,1259 9.482,1260 8.203,1261 0.432,1262 0.275,1263 5.116,1264 7.785,1265 4.944,1266 4.121,1267 8.203,1268 5.218,1269 7.52,1270 0.269,1271 0.138,1272 7.52,1273 3.876,1274 6.763,1275 0.169,1276 0.071,1277 6.763,1278 2.858,1279 5.706,1280 0.102,1281 0.036,1282 5.706,1283 2.027,1284 5.013,1285 0.067,1286 0.019,1287 5.013,1288 1.397,1289 0.465,1290 52.225,1291 0.282,1292 16.425,1293 1.007,1294 94,1295 297.508,1296 104.588,1297 285.781,1298 397.35,1299 268,1300 115,1301 302.844,1302 126.034,1303 306.467,1304 450.11,1305 287,1306 5.301} {0 CHEMBL2088660,1 1.8,2 9.462,3 3.851,4 14.83,5 100.919,6 10.596,7 0.552,8 3.813,9 3.909,10 3.678,11 3.424,12 5.068,13 3.42,14 4.307,15 4.43,16 4.121,17 3.844,18 5.653,19 3.829,20 4.534,21 4.674,22 4.214,23 3.995,24 5.786,25 3.957,26 4.646,27 4.815,28 4.173,29 3.997,30 5.852,31 3.951,32 4.624,33 4.809,34 4.185,35 3.961,36 5.802,37 3.895,38 4.564,39 4.743,40 4.224,41 3.918,42 5.776,43 3.838,44 4.512,45 4.711,46 4.056,47 3.761,48 5.735,49 3.641,50 4.18,51 4.393,52 3.672,53 3.42,54 5.341,55 3.327,56 0.182,57 0.59,58 2.874,59 3.046,60 5.833,61 3.263,62 0.329,63 0.935,64 7.69,65 5.424,66 45.243,67 5.87,68 0.409,69 1.154,70 18.337,71 7.312,72 30.489,73 7.6,74 0.495,75 1.252,76 18.468,77 8.192,78 49.069,79 8.494,80 0.523,81 1.181,82 18.605,83 8.373,84 62.361,85 9.086,86 0.481,87 1.11,88 16.947,89 8.063,90 57.342,91 8.609,92 0.642,93 0.982,94 43.318,95 9.152,96 65.03,97 9.414,98 0.324,99 0.737,100 17.993,101 5.955,102 37.681,103 6.726,104 27,105 43,106 0.313,107 0.683,108 0.774,109 0.844,110 0.844,111 0.844,112 3.305,113 0.895,114 -4.61,115 -4.53,116 -4.26,117 1,119 46.2,120 1,124 1,133 7,134 3,135 2,143 2,146 1,147 1,155 2,157 1,159 7,161 1,162 8,164 1,168 10,171 2,172 12,174 1,176 2,178 8,181 1,182 10,187 1,190 6,194 8,199 3,202 9,205 1,206 6,211 3,213 13,216 2,217 5,222 3,224 7,229 5,237 4,241 1,242 8,245 1,250 2,255 1008,256 17.292,257 17.292,258 17.292,259 17.292,260 17.292,261 14.696,262 21.742,263 9.85,264 17.654,265 14.283,266 14.283,267 14.283,268 14.283,269 14.283,270 10.324,271 27.384,272 4.659,273 14.897,274 3.485,275 1.357,276 0.831,277 0.43,278 0.43,279 0.43,280 3.999,284 1,285 534,286 3,288 42.514,289 175.116,291 159.956,295 1.308,296 30.08,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 56.75,307 246,308 4.842,309 3.778,310 7.229,311 4.411,312 3.438,313 4.791,314 2.612,315 12.827,316 3.343,317 4.255,318 3.714,319 6.05,320 3.764,321 2.787,322 3.952,323 0.98,324 8.49,325 2.721,326 4.007,327 3.212,328 6.005,329 3.573,330 2.603,331 3.514,332 0.782,333 8.379,334 2.523,335 3.868,336 2.892,337 5.923,338 3.456,339 2.495,340 3.305,341 0.522,342 8.151,343 2.4,344 3.673,345 2.845,346 5.311,347 3.221,348 2.234,349 3.087,351 6.7,352 2.196,353 3.514,354 2.566,355 5.056,356 3.029,357 2.13,358 2.815,360 5.949,361 1.82,362 3.117,363 2.035,364 4.737,365 2.58,366 1.609,367 2.313,369 4.659,370 1.559,371 2.968,372 1.787,373 4.583,374 2.465,375 1.509,376 2.087,378 4.361,379 1.384,380 2.85,381 1.764,382 3.848,383 2.242,384 1.246,385 1.92,386 2.985,387 1.238,388 2.5,389 1.039,390 3.718,391 2,392 1,393 1.5,394 2.427,395 1,396 2.343,397 1,398 3.414,399 1.898,400 0.923,401 1.267,402 2.275,403 0.887,404 1.479,405 1,406 3.068,407 1.2,408 0.163,409 0.194,411 0.358,412 0.166,413 1.373,414 0.952,415 2.772,416 1.026,417 0.059,418 0.075,420 0.155,421 0.054,422 1.028,423 0.426,424 2.676,425 0.536,426 -0.305,427 -0.383,429 -0.781,430 -0.183,431 1,432 0.182,433 2.425,434 0.447,435 -0.532,436 -0.696,438 -1.41,439 -0.519,440 12.933,441 0.497,442 0.806,443 0.031,444 36.75,445 1.413,446 20,447 0.769,448 16.75,449 0.644,450 20.869,451 0.803,452 26.067,453 0.668,454 26.651,455 1.025,456 7.168,457 0.276,458 5.285,459 0.203,460 0.219,462 0.41,466 0.418,467 0.979,468 0.46,469 0.693,470 0.48,471 0.74,472 0.535,473 1.099,474 0.539,475 0.75,476 0.396,477 0.775,478 0.723,479 1.093,480 0.933,481 1.018,482 0.601,483 1.032,484 0.985,485 1.051,486 0.694,487 0.935,488 0.862,489 1.042,490 0.946,491 0.954,492 0.641,493 0.853,494 0.894,495 0.98,496 0.915,497 0.98,498 0.831,499 0.956,500 0.891,501 1.072,502 0.966,503 0.946,504 1.778,505 1.371,506 1.019,507 1.261,508 0.894,509 1.113,510 0.951,511 1.043,512 0.843,513 1.078,514 5.5,515 0.128,516 3.333,517 2.674,518 2.045,519 1.285,520 0.593,521 0.35,522 0.326,523 0.255,524 7211,525 27129,526 2.078,527 33.3,529 9,532 1,533 3,536 1.696,537 1.902,538 3.164,539 -0.256,541 1,545 70.211,546 1.8,547 3.929,548 4.454,549 4.856,550 4.856,551 4.856,552 2.632,553 4.21,554 4.668,555 3.346,556 1087.39,557 8.118,558 12956.4,560 1,562 1,563 206.131,564 1.513,565 4.611,566 0.19,567 0.009,568 0.078,569 0.058,570 0.048,571 0.033,572 0.016,573 0.013,574 0.016,575 0.014,576 0.474,577 0.33,578 1,579 0.819,580 124.491,581 0.185,582 0.13,583 0.004,584 0.065,585 -0.006,586 0.028,587 0.134,588 -0.046,589 0.033,590 0.07,591 0.187,592 0.076,594 -0.055,595 -0.095,596 -0.119,597 0.022,598 -0.139,599 -0.146,600 -0.048,601 -0.042,602 -0.064,603 -0.067,604 -0.103,605 -0.112,606 0.002,607 0.042,608 0.057,609 -0.073,610 0.025,611 -0.084,612 -0.025,613 0.036,614 0.002,615 -0.085,616 -0.064,617 -0.009,618 -0.053,619 -0.162,620 -0.173,621 -0.098,622 -0.132,623 -0.05,624 -0.191,625 0.017,626 -0.033,627 -0.055,628 0.018,629 2.429,630 5.5,631 0.731,632 21.077,633 1.027,634 1.116,635 3.379,636 11.419,637 0.732,638 3.401,639 3.784,640 4.111,641 4.454,642 4.779,643 4.934,644 5.075,645 5.247,646 5.308,647 5.318,648 5.612,649 0.715,650 413.25,651 3.401,652 4.977,653 5.861,654 6.779,655 7.691,656 8.619,657 9.543,658 10.477,659 11.408,660 12.346,661 10.3,668 1,669 1,670 1,672 1,674 2,675 7,680 5,681 1,682 16,694 1,698 1,699 39,700 20,701 2,702 29,703 1,704 42,705 18,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 2,724 4,726 1,728 3,730 1,731 2,733 1,736 13,737 5,738 1,739 8,740 1,743 4,747 0.5,748 3,756 1,759 1,760 3,762 2,777 2,780 1,781 1,785 26,789 1,790 1,800 1,801 7.7,804 1,807 2,808 13.667,809 7.576,810 5.556,811 2.244,812 3.701,813 1.478,814 1.026,815 4.135,816 11.442,817 3.738,818 4.428,819 5.063,820 5.737,821 6.363,822 6.795,823 7.22,824 7.678,825 7.986,826 8.291,827 1,828 46,829 9.58,831 4.22,832 8.029,833 17.806,835 14.879,837 2.529,838 65.75,842 141.253,843 104.383,844 88.074,846 75.892,849 150.337,850 217.145,851 42.12,852 14.495,853 19.994,854 66.334,855 32.606,856 33.318,857 4.901,858 141.253,859 96.701,860 141.253,861 146.503,862 75.892,864 45.954,865 141.253,866 25.145,867 50.747,869 47.381,870 93.452,871 5.67,872 45.954,873 141.253,874 118.012,875 150.337,878 141.253,879 29.224,880 82.728,881 63.842,882 92.555,883 141.253,884 118.012,885 150.337,887 0.598,888 0.354,889 0.196,890 0.119,891 23,892 11,893 0.071,894 3,895 2,896 1.211,897 3.634,898 235.529,899 0.211,900 19,901 116.211,904 16.947,905 6.345,906 2.868,907 1.843,908 110.443,909 12.188,914 3.18,915 1.922,916 17.888,917 409.602,918 41,920 -0.429,922 34.173,924 4.097,925 0.477,926 40.036,927 43.539,928 0.341,929 0.743,930 0.843,931 0.919,932 0.919,933 0.919,934 4.997,935 1.509,936 5.883,937 4.659,938 4.466,939 5.115,940 2.766,941 6.77,942 4.392,943 6.258,944 1.246,945 7.491,946 4.361,947 4.205,948 5.139,949 2.361,950 7.825,951 4.072,952 7.608,953 1,954 9.198,955 2.985,956 6.129,957 7.435,958 4.197,959 10.987,960 5.997,961 8.994,962 0.923,963 10.964,964 2.427,965 6.661,966 8.265,967 4.506,968 12.916,969 6.487,970 10.411,971 0.163,972 12.769,973 2.275,974 8.108,975 10.079,976 5.954,977 15.641,978 7.926,979 11.851,980 0.059,981 14.603,982 0.358,983 9.009,984 11.291,985 6.556,986 17.951,987 8.794,988 13.312,989 -0.305,990 16.461,991 0.155,992 10.288,993 12.928,994 7.795,995 20.546,996 10.056,997 3.438,998 -0.532,999 18.337,1000 -0.781,1001 11.364,1002 14.325,1003 8.548,1004 23.009,1005 11.102,1006 2.787,1007 12.827,1008 20.228,1009 -1.41,1010 12.59,1011 15.901,1012 9.67,1013 25.569,1014 12.306,1015 2.603,1016 8.49,1017 22.133,1018 4.791,1019 13.748,1020 17.384,1021 10.509,1022 28.088,1023 13.435,1024 2.495,1025 8.379,1026 24.05,1027 3.952,1028 14.963,1029 18.942,1030 11.563,1031 30.64,1032 14.626,1033 2.234,1034 8.151,1035 25.976,1036 3.514,1037 16.159,1038 20.467,1039 12.452,1040 33.18,1041 15.792,1042 2.13,1043 6.7,1044 27.911,1045 3.305,1046 17.377,1047 22.022,1048 13.468,1049 35.731,1050 16.984,1051 1.609,1052 5.949,1053 29.853,1054 3.087,1055 18.59,1056 23.566,1057 14.386,1058 38.278,1059 18.169,1060 6978,1061 13645,1062 19.016,1063 28.546,1064 44.9,1065 47.071,1066 46.71,1067 44.715,1068 44.393,1069 61.635,1070 9.792,1071 135.435,1072 42.58,1073 5.682,1074 5.778,1075 6.643,1076 5.447,1077 5.438,1078 7.791,1079 4.612,1080 20.355,1081 5.343,1082 14.561,1083 1.548,1084 1.623,1085 1.611,1086 1.542,1087 1.531,1088 2.125,1089 0.338,1090 4.67,1091 1.468,1092 4.185,1093 4.214,1094 6.88,1095 4.101,1096 7.815,1097 4.108,1098 3.967,1099 3.993,1100 4.141,1101 3.855,1102 7.429,1103 3.86,1104 3.643,1105 3.686,1106 3.929,1107 3.529,1108 6.999,1109 3.524,1110 3.541,1111 3.574,1112 3.533,1113 3.241,1114 4.941,1115 3.276,1116 3.302,1117 3.354,1118 3.488,1119 3.041,1120 4.679,1121 3.081,1122 3.133,1123 3.187,1124 3.175,1125 2.884,1126 4.612,1127 2.909,1128 2.928,1129 2.986,1130 2.991,1131 2.795,1132 4.153,1133 2.787,1134 2.854,1135 2.925,1136 2.797,1137 2.735,1138 3.762,1139 2.715,1140 0.167,1141 0.13,1142 0.249,1143 0.152,1144 0.119,1145 4.842,1146 0.165,1147 3.778,1148 0.09,1149 7.229,1150 0.442,1151 4.411,1152 0.115,1153 3.438,1154 4.791,1155 2.612,1156 12.827,1157 3.343,1158 1.966,1159 1.942,1160 2.054,1161 2.103,1162 1.227,1163 2.079,1164 1.914,1165 1.894,1166 1.975,1167 1.996,1168 1.146,1169 1.995,1170 1.728,1171 1.691,1172 1.819,1173 1.946,1174 0.936,1175 1.9,1176 1.364,1177 1.312,1178 1.567,1179 1.687,1180 0.705,1181 1.625,1182 1.181,1183 1.136,1184 1.374,1185 1.481,1186 0.468,1187 1.472,1188 0.987,1189 0.942,1190 1.181,1191 1.328,1192 0.218,1193 1.301,1194 0.927,1195 0.879,1196 1.138,1197 1.098,1198 0.179,1199 1.121,1200 0.886,1201 0.821,1202 1.112,1203 1.062,1204 0.14,1205 1.107,1206 4.078,1208 5.442,1209 2.398,1210 7.006,1211 4.949,1212 8.664,1213 7.261,1214 10.376,1215 3.479,1216 1.856,1222 0.423,1223 2.541,1231 27.889,1232 70.211,1233 153.218,1234 173.724,1235 189.376,1236 189.376,1237 189.376,1238 46.399,1239 7.741,1240 96.5,1241 96.5,1242 23,1243 12.844,1244 4.392,1245 3.7,1246 37.857,1247 84,1248 100,1249 0.22,1250 175.665,1251 301.07,1252 420.382,1253 22931,1254 2.6,1255 18.422,1256 0.709,1257 0.588,1258 19.422,1259 15.279,1260 12.452,1261 0.429,1262 0.298,1263 7.79,1264 11.342,1265 7.559,1266 6.229,1267 13.03,1268 8.648,1269 11.857,1270 0.276,1271 0.162,1272 12.673,1273 6.949,1274 10.032,1275 0.167,1276 0.082,1277 10.556,1278 4.909,1279 8.6,1280 0.101,1281 0.042,1282 9.038,1283 3.604,1284 7.62,1285 0.065,1286 0.023,1287 8.144,1288 2.732,1289 0.335,1290 87.008,1291 0.229,1292 24.503,1293 0.64,1294 144,1295 479.129,1296 224.451,1297 499.444,1298 663.86,1299 460,1300 175,1301 470.707,1302 218.792,1303 483.084,1304 706.36,1305 453,1306 5} {0 CHEMBL2088661,1 1.8,2 8.731,3 3.851,4 14.83,5 100.919,6 10.596,7 0.552,8 3.813,9 3.909,10 3.678,11 3.424,12 5.068,13 3.42,14 4.307,15 4.43,16 4.121,17 3.844,18 5.654,19 3.829,20 4.534,21 4.674,22 4.214,23 3.995,24 5.784,25 3.957,26 4.646,27 4.815,28 4.188,29 4,30 5.838,31 3.958,32 4.632,33 4.808,34 4.228,35 3.975,36 5.847,37 3.922,38 4.641,39 4.821,40 4.251,41 3.935,42 5.912,43 3.862,44 4.486,45 4.675,46 4.122,47 3.785,48 5.707,49 3.692,50 4.266,51 4.454,52 3.837,53 3.481,54 5.603,55 3.437,56 0.182,57 0.59,58 2.874,59 3.046,60 5.833,61 3.263,62 0.329,63 0.935,64 7.69,65 5.424,66 45.354,67 5.87,68 0.409,69 1.154,70 18.337,71 7.312,72 29.878,73 7.6,74 0.492,75 1.254,76 18.818,77 8.213,78 54.075,79 8.562,80 0.505,81 1.213,82 16.676,83 8.109,84 51.051,85 8.631,86 0.686,87 1.161,88 20.097,89 8.625,90 84.298,91 8.764,92 0.494,93 0.978,94 41.717,95 8.87,96 53.115,97 9.18,98 0.38,99 0.801,100 17.477,101 6.138,102 34.769,103 6.641,104 27,105 43,106 0.313,107 0.683,108 0.792,109 0.879,110 0.879,111 0.879,112 3.306,113 0.895,114 -4.61,115 -4.53,116 -4.26,117 1,119 46.2,120 1,124 1,133 7,134 3,135 2,143 2,146 1,147 1,155 2,157 1,159 7,161 1,162 8,164 1,168 10,171 2,172 12,174 1,176 2,178 8,181 1,182 9,187 1,190 6,193 1,194 9,199 3,202 9,205 2,206 6,211 3,213 10,217 7,222 2,224 8,228 1,229 10,232 1,234 1,237 5,241 3,242 6,245 2,250 2,255 984,256 17.292,257 17.292,258 17.292,259 17.292,260 17.292,261 14.696,262 21.742,263 9.891,264 17.654,265 14.3,266 14.3,267 14.3,268 14.3,269 14.3,270 10.33,271 29.302,272 4.686,273 14.913,274 3.485,275 1.357,276 0.728,277 0.224,278 0.224,279 0.224,280 3.999,284 1,285 491,286 3,288 40.629,289 172.022,291 154.192,295 1.157,296 30.891,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 56.75,307 227,308 4.842,309 3.781,310 7.229,311 4.411,312 3.439,313 4.791,314 2.612,315 12.827,316 3.343,317 4.277,318 3.714,319 6.054,320 3.797,321 2.819,322 3.976,323 0.98,324 8.609,325 2.755,326 4.007,327 3.212,328 6.02,329 3.572,330 2.602,331 3.514,332 0.782,333 8.444,334 2.522,335 3.845,336 2.892,337 5.946,338 3.423,339 2.466,340 3.266,341 0.522,342 8.173,343 2.362,344 3.649,345 2.845,346 5.264,347 3.184,348 2.197,349 3.065,351 6.49,352 2.16,353 3.513,354 2.572,355 5.05,356 3.024,357 2.123,358 2.815,360 5.937,361 1.818,362 3.118,363 2.007,364 4.735,365 2.583,366 1.611,367 2.314,369 4.651,370 1.56,371 2.964,372 1.773,373 4.583,374 2.476,375 1.517,376 2.098,378 4.359,379 1.406,380 2.838,381 1.729,382 3.845,383 2.311,384 1.318,385 1.915,386 3.057,387 1.297,388 2.587,389 1.192,390 3.706,391 2,392 1,393 1.585,394 2.424,395 1,396 2.337,397 1.03,398 3.436,399 1.895,400 0.921,401 1.26,402 2.322,403 0.884,404 1.475,405 1,406 3.067,407 1.2,408 0.162,409 0.193,411 0.357,412 0.166,413 1.3,414 0.932,415 2.772,416 0.963,422 1.024,423 0.362,424 2.68,425 0.535,426 -0.309,427 -0.388,429 -0.812,430 -0.191,431 1,432 0.126,433 2.43,434 0.361,435 -0.623,436 -0.823,438 -1.61,439 -0.606,440 12.933,441 0.497,442 0.806,443 0.031,444 36.75,445 1.413,446 20,447 0.769,448 16.75,449 0.644,450 20.992,451 0.807,452 26.067,453 0.668,454 26.919,455 1.035,456 7.168,457 0.276,458 5.285,459 0.203,460 0.219,462 0.41,466 0.418,467 0.979,468 0.46,469 0.693,470 0.48,471 0.74,472 0.535,473 1.099,474 0.539,475 0.75,476 0.396,477 0.775,478 0.723,479 1.093,480 0.933,481 1.018,482 0.604,483 1.032,484 0.975,485 1.064,486 0.685,487 0.921,488 0.87,489 1.011,490 0.942,491 0.977,492 0.642,493 0.897,494 0.861,495 1.012,496 1.16,497 0.921,498 0.809,499 0.849,500 1.27,501 1,502 0.904,503 1.077,504 1.781,505 1.436,506 0.852,507 1.217,508 1.013,509 1.125,510 0.893,511 1.08,512 1.074,513 1.052,514 5.5,515 0.095,516 3.111,517 2.799,518 2.045,519 1.174,520 0.555,521 0.462,522 0.399,523 0.186,524 6971,525 25905,526 2.078,527 33.3,529 9,532 1,533 3,536 1.698,537 1.902,538 3.104,539 -0.256,541 1,545 70.211,546 1.8,547 3.929,548 4.557,549 5.061,550 5.061,551 5.061,552 2.459,553 4.239,554 4.672,555 3.243,556 1054.13,557 8.137,558 12571.6,560 1,562 1,563 206.131,564 1.513,565 4.611,566 0.19,567 0.012,568 0.072,569 0.061,570 0.046,571 0.029,572 0.015,573 0.015,574 0.015,575 0.01,576 0.465,577 0.33,578 1,579 0.819,580 123.708,581 0.185,582 0.13,583 0.004,584 0.065,585 -0.006,586 0.028,587 0.134,588 -0.046,589 0.033,590 0.07,591 0.188,592 0.076,594 -0.055,595 -0.095,596 -0.119,597 0.019,598 -0.139,599 -0.135,600 -0.061,601 -0.033,602 -0.05,603 -0.074,604 -0.071,605 -0.1,606 0.008,607 0.027,608 -0.009,609 -0.05,610 -0.045,611 -0.13,612 0.02,613 0.03,614 0.109,615 -0.185,616 0.003,617 -0.031,618 -0.172,619 -0.148,620 -0.245,621 -0.042,622 -0.106,623 0.015,624 -0.184,625 0.017,626 -0.107,627 -0.029,628 -0.028,629 2.423,630 5.513,631 0.731,632 19.692,633 1.027,634 1.116,635 3.379,636 11.419,637 0.732,638 3.401,639 3.784,640 4.111,641 4.466,642 4.787,643 4.927,644 5.094,645 5.263,646 5.313,647 5.308,648 5.366,649 0.715,650 413.25,651 3.401,652 4.977,653 5.861,654 6.781,655 7.694,656 8.623,657 9.548,658 10.483,659 11.415,660 12.353,661 10.3,668 1,669 1,670 1,672 1,674 2,675 7,680 5,681 1,682 16,694 1,698 1,699 39,700 20,701 2,702 29,703 1,704 42,705 18,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 2,724 4,726 1,728 3,730 1,731 2,733 1,736 13,737 5,738 1,739 8,740 1,743 4,747 0.5,748 3,756 1,759 1,760 3,762 2,777 2,780 1,781 1,785 26,789 1,790 1,800 1,801 7.7,804 1,807 2,808 13.667,809 7.576,810 5.556,811 2.244,812 3.734,813 1.482,814 1.026,815 4.135,816 11.475,817 3.738,818 4.428,819 5.063,820 5.744,821 6.371,822 6.78,823 7.237,824 7.686,825 7.989,826 8.278,827 0.833,828 46,829 9.59,831 4.233,832 8.029,833 17.806,835 14.879,837 2.529,838 65.75,842 141.253,843 104.383,844 88.074,846 75.892,849 150.337,850 217.145,851 42.12,852 14.495,853 19.994,854 66.334,855 32.606,856 33.318,857 4.901,858 141.253,859 96.701,860 141.253,861 146.503,862 75.892,864 45.954,865 141.253,866 25.145,867 50.747,869 47.381,870 93.452,871 5.67,872 45.954,873 141.253,874 118.012,875 150.337,878 141.253,879 29.224,880 82.728,881 63.842,882 92.555,883 141.253,884 118.012,885 150.337,887 0.597,888 0.354,889 0.199,890 0.123,891 23,892 11,893 0.071,894 3,895 2,896 1.211,897 3.602,898 237.456,899 0.211,900 19,901 120.211,904 16.947,905 6.345,906 2.868,907 1.784,908 110.443,909 12.223,914 2.971,915 1.879,916 17.888,917 409.602,918 41,920 -0.423,922 34.607,924 4.089,925 0.434,926 40.036,927 43.539,928 0.341,929 0.743,930 0.862,931 0.958,932 0.958,933 0.958,934 4.997,935 1.517,936 5.883,937 4.651,938 4.466,939 5.115,940 2.766,941 6.772,942 4.392,943 6.258,944 1.318,945 7.491,946 4.359,947 4.205,948 5.139,949 2.361,950 7.825,951 4.072,952 7.608,953 1,954 9.198,955 3.057,956 6.129,957 7.435,958 4.197,959 10.994,960 5.997,961 8.994,962 0.921,963 10.965,964 2.424,965 6.661,966 8.265,967 4.506,968 12.921,969 6.487,970 10.411,971 0.162,972 12.771,973 2.322,974 8.11,975 10.08,976 5.954,977 15.649,978 7.928,979 11.852,981 14.606,982 0.357,983 9.012,984 11.293,985 6.556,986 17.957,987 8.798,988 13.313,989 -0.309,990 16.464,992 10.292,993 12.932,994 7.795,995 20.552,996 10.061,997 3.439,998 -0.623,999 18.34,1000 -0.812,1001 11.37,1002 14.329,1003 8.548,1004 23.013,1005 11.109,1006 2.819,1007 12.827,1008 20.232,1009 -1.61,1010 12.597,1011 15.905,1012 9.67,1013 25.573,1014 12.313,1015 2.602,1016 8.609,1017 22.138,1018 4.791,1019 13.755,1020 17.389,1021 10.509,1022 28.091,1023 13.443,1024 2.466,1025 8.444,1026 24.054,1027 3.976,1028 14.971,1029 18.947,1030 11.563,1031 30.642,1032 14.634,1033 2.197,1034 8.173,1035 25.981,1036 3.514,1037 16.166,1038 20.472,1039 12.452,1040 33.182,1041 15.8,1042 2.123,1043 6.49,1044 27.915,1045 3.266,1046 17.384,1047 22.027,1048 13.468,1049 35.732,1050 16.992,1051 1.611,1052 5.937,1053 29.857,1054 3.065,1055 18.597,1056 23.57,1057 14.386,1058 38.279,1059 18.176,1060 6756,1061 13135,1062 19.016,1063 28.546,1064 44.975,1065 47.191,1066 46.696,1067 44.664,1068 44.352,1069 61.586,1070 9.792,1071 135.3,1072 42.546,1073 5.682,1074 5.781,1075 6.776,1076 5.447,1077 5.439,1078 7.791,1079 4.612,1080 20.355,1081 5.343,1082 14.394,1083 1.551,1084 1.627,1085 1.61,1086 1.54,1087 1.529,1088 2.124,1089 0.338,1090 4.666,1091 1.467,1092 4.185,1093 4.214,1094 6.88,1095 4.101,1096 7.815,1097 4.109,1098 3.968,1099 3.992,1100 4.141,1101 3.856,1102 7.429,1103 3.861,1104 3.643,1105 3.686,1106 3.929,1107 3.529,1108 6.999,1109 3.524,1110 3.525,1111 3.558,1112 3.532,1113 3.224,1114 4.941,1115 3.251,1116 3.322,1117 3.377,1118 3.476,1119 3.038,1120 4.681,1121 3.098,1122 3.15,1123 3.206,1124 3.19,1125 2.908,1126 4.612,1127 2.931,1128 2.962,1129 3.017,1130 3.013,1131 2.842,1132 4.158,1133 2.833,1134 2.86,1135 2.915,1136 2.827,1137 2.782,1138 3.767,1139 2.752,1140 0.167,1141 0.13,1142 0.249,1143 0.152,1144 0.119,1145 4.842,1146 0.165,1147 3.781,1148 0.09,1149 7.229,1150 0.442,1151 4.411,1152 0.115,1153 3.439,1154 4.791,1155 2.612,1156 12.827,1157 3.343,1158 1.966,1159 1.942,1160 2.053,1161 2.105,1162 1.228,1163 2.08,1164 1.915,1165 1.895,1166 1.975,1167 1.995,1168 1.147,1169 1.995,1170 1.727,1171 1.69,1172 1.819,1173 1.943,1174 0.935,1175 1.897,1176 1.349,1177 1.294,1178 1.565,1179 1.68,1180 0.703,1181 1.612,1182 1.186,1183 1.146,1184 1.366,1185 1.496,1186 0.467,1187 1.489,1188 1.069,1189 1.012,1190 1.262,1191 1.356,1192 0.213,1193 1.348,1194 0.927,1195 0.881,1196 1.137,1197 1.11,1198 0.181,1199 1.129,1200 0.854,1201 0.817,1202 0.993,1203 0.986,1204 0.14,1205 1.01,1206 4.078,1208 5.442,1209 2.398,1210 7.006,1211 4.949,1212 8.665,1213 7.261,1214 10.379,1215 3.472,1216 1.844,1222 0.343,1223 2.528,1231 27.889,1232 70.211,1233 153.218,1234 177.724,1235 197.376,1236 197.376,1237 197.376,1238 47.397,1239 7.741,1240 96.5,1241 96.5,1242 23,1243 12.851,1244 4.392,1245 3.7,1246 37.719,1247 81,1248 86,1249 0.229,1250 175.665,1251 301.07,1252 420.382,1253 22931,1254 2.6,1255 18.422,1256 0.709,1257 0.588,1258 19.422,1259 15.279,1260 12.452,1261 0.429,1262 0.298,1263 7.79,1264 11.342,1265 7.559,1266 6.23,1267 13.03,1268 8.648,1269 11.869,1270 0.276,1271 0.162,1272 12.685,1273 6.952,1274 9.964,1275 0.166,1276 0.081,1277 10.488,1278 4.883,1279 8.661,1280 0.101,1281 0.042,1282 9.1,1283 3.649,1284 7.765,1285 0.065,1286 0.023,1287 8.29,1288 2.739,1289 0.344,1290 87.008,1291 0.229,1292 24.309,1293 0.677,1294 144,1295 479.129,1296 224.451,1297 499.509,1298 663.88,1299 460,1300 175,1301 470.707,1302 218.792,1303 483.219,1304 706.61,1305 453,1306 5} {0 CHEMBL2088662,1 1.647,2 9.36,3 3.836,4 14.711,5 99.332,6 10.349,7 0.571,8 3.766,9 3.865,10 3.623,11 3.438,12 4.988,13 3.417,14 4.257,15 4.391,16 4.061,17 3.85,18 5.416,19 3.814,20 4.494,21 4.64,22 4.163,23 4.004,24 5.692,25 3.943,26 4.584,27 4.765,28 4.118,29 3.995,30 5.71,31 3.925,32 4.579,33 4.775,34 4.156,35 3.959,36 5.711,37 3.879,38 4.543,39 4.724,40 4.199,41 3.923,42 5.744,43 3.83,44 4.457,45 4.667,46 4.014,47 3.769,48 5.632,49 3.631,50 4.123,51 4.35,52 3.574,53 3.45,54 5.223,55 3.314,56 0.057,57 0.54,58 3.103,59 2.826,60 7.998,61 3.226,62 0.136,63 0.874,64 8.052,65 5.06,66 14.829,67 5.865,68 0.264,69 1.096,70 18.603,71 7.029,72 28.291,73 7.8,74 0.228,75 1.22,76 17.836,77 7.665,78 30.841,79 8.686,80 0.279,81 1.17,82 18.311,83 7.957,84 40.185,85 9.095,86 0.282,87 1.082,88 17.565,89 8,90 47.828,91 8.75,92 0.376,93 0.975,94 42.218,95 9.027,96 49.406,97 9.555,98 0.182,99 0.715,100 18,101 5.945,102 28.928,103 7.004,104 18,105 41,106 0.288,107 0.682,108 0.777,109 0.848,110 0.848,111 0.848,112 3.269,113 0.914,114 -4.19,115 -4.14,116 -3.91,117 1,119 50,120 1,124 1,133 7,134 4,135 1,143 2,146 1,147 2,157 1,159 9,162 7,164 1,168 12,171 2,172 8,174 1,176 2,178 9,181 1,182 7,187 1,190 6,194 8,199 3,202 9,206 6,211 3,213 13,216 1,217 5,222 3,224 10,229 3,234 1,237 6,242 4,250 3,255 899,256 16.955,257 16.955,258 16.955,259 16.955,260 16.955,261 14.572,262 20.114,263 9.714,264 17.271,265 13.743,266 13.743,267 13.743,268 13.743,269 13.743,270 9.993,271 24.585,272 4.539,273 14.298,274 3.6,275 1.34,276 0.8,277 0.388,278 0.388,279 0.388,280 3.964,284 1,285 511,286 2.646,288 39.386,289 164.346,291 149.249,295 1.254,296 20.881,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.75,307 234,308 4.842,309 4.057,310 7.229,311 4.411,312 3.438,313 4.79,314 2.035,315 12.827,316 3.343,317 4.106,318 3.714,319 6.049,320 3.661,321 2.67,322 3.694,323 0.98,324 8.482,325 2.649,326 4.007,327 3.212,328 6.002,329 3.57,330 2.6,331 3.513,332 0.782,333 8.343,334 2.521,335 3.82,336 2.898,337 5.472,338 3.378,339 2.415,340 3.193,341 0.522,342 7.236,343 2.328,344 3.606,345 2.848,346 5.159,347 3.136,348 2.161,349 2.842,351 6.283,352 2.116,353 3.511,354 2.608,355 5.029,356 3.01,357 2.092,358 2.814,360 5.924,361 1.807,362 3.114,363 2.288,364 4.73,365 2.573,366 1.6,367 2.303,369 4.641,370 1.554,371 2.974,372 1.844,373 4.582,374 2.446,375 1.491,376 1.972,378 4.354,379 1.365,380 2.861,381 1.769,382 3.787,383 2,384 1,385 1.5,386 2.505,387 1,388 2.5,389 1.046,390 3.414,391 1.93,392 0.955,393 1.309,394 2.275,395 0.919,396 2.345,397 1,398 3.121,399 1.521,400 0.568,401 1.044,402 0.965,403 0.537,404 1.481,405 0.963,406 2.799,407 1.2,408 0.162,409 0.193,411 0.356,412 0.166,413 1.397,414 0.518,415 2.758,416 0.953,422 1.03,423 0.236,424 2.578,425 0.535,426 -0.307,427 -0.386,429 -0.778,430 -0.187,431 0.898,432 -0.012,433 2.394,434 0.417,435 -0.557,436 -0.782,438 -1.321,439 -0.539,440 12.767,441 0.511,442 0.678,443 0.027,444 35.75,445 1.43,446 20,447 0.8,448 15.75,449 0.63,450 20.139,451 0.806,452 23.833,453 0.627,454 24.361,455 0.974,456 6.856,457 0.274,458 5.224,459 0.209,460 0.201,462 0.384,466 0.612,467 0.977,468 0.463,469 0.702,470 0.474,471 0.725,472 0.669,473 1.021,474 0.544,475 0.721,476 0.457,477 0.75,478 0.814,479 1.058,480 0.933,481 1.011,482 0.714,483 1.023,484 0.991,485 1.078,486 0.688,487 0.958,488 0.858,489 1.039,490 1.101,491 0.941,492 0.631,493 0.854,494 0.99,495 0.946,496 1.332,497 1.04,498 0.822,499 0.981,500 1.273,501 1.061,502 1.16,503 0.891,504 1.79,505 1.403,506 1.158,507 1.228,508 0.991,509 0.923,510 0.962,511 0.965,512 0.965,513 1.035,514 5,515 0.087,516 2.889,517 2.424,518 2.005,519 1.167,520 0.593,521 0.35,522 0.301,523 0.15,524 6444,525 21424,526 2.105,527 34.2,529 9,532 1,533 3,536 1.686,537 1.948,538 3.13,539 -0.317,541 1,545 62.605,546 1.647,547 3.908,548 4.448,549 4.86,550 4.86,551 4.86,552 2.603,553 4.214,554 4.61,555 3.276,556 982.805,557 8.01,558 11310.7,560 1,562 1,563 199.421,564 1.473,565 4.565,566 0.179,567 0.01,568 0.07,569 0.055,570 0.049,571 0.031,572 0.017,573 0.013,574 0.016,575 0.011,576 0.45,577 0.5,578 1,579 0.795,580 117.607,581 0.028,582 0.042,583 0.001,584 0.021,585 0.009,586 0.027,587 0.058,588 -0.015,589 0.031,590 0.074,591 0.048,592 0.082,593 0.077,594 -0.064,595 -0.093,596 -0.125,597 0.011,598 -0.149,599 -0.091,600 -0.071,601 -0.035,602 -0.095,603 -0.057,604 -0.119,605 -0.099,606 0.028,607 0.047,608 0.053,609 -0.048,610 0.03,611 -0.143,612 -0.117,613 0.035,614 -0.015,615 -0.128,616 -0.079,617 -0.023,618 0.012,619 -0.155,620 -0.19,621 -0.081,622 -0.115,623 -0.081,624 -0.013,625 0.01,626 0.08,627 -0.082,628 0.067,629 1.874,630 5.503,631 0.76,632 19.558,633 1.01,634 1.108,635 2.964,636 8.783,637 0.754,638 3.367,639 3.738,640 4.078,641 4.431,642 4.762,643 4.905,644 5.05,645 5.226,646 5.268,647 5.247,648 5.356,649 0.723,650 393.26,651 3.367,652 4.934,653 5.82,654 6.737,655 7.651,656 8.579,657 9.506,658 10.441,659 11.374,660 12.313,661 10.5,668 1,669 1,670 2,674 2,675 7,680 5,681 1,682 16,683 1,698 1,699 38,700 19,701 2,702 28,703 1,704 41,705 19,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,720 1,721 16,722 2,724 2,728 1,730 1,731 2,733 1,736 13,737 4,738 1,739 6,740 1,743 4,747 0.5,748 1,756 1,759 1,760 3,762 2,777 2,780 1,781 1,785 25,789 1,790 1,796 1,798 1,799 1,800 1,801 2.6,804 1,808 12.833,809 7.493,810 5.444,811 2.24,812 3.701,813 1.483,814 1.04,815 3.858,816 11.358,817 3.714,818 4.366,819 5.044,820 5.722,821 6.351,822 6.775,823 7.204,824 7.669,825 7.967,826 8.256,827 1,828 44,829 9.188,831 3.986,832 7.83,833 17.383,835 14.545,837 2.33,838 58.25,842 141.253,843 121.413,844 113.464,846 25.145,849 167.368,850 166.398,851 67.51,852 8.825,853 19.994,854 66.334,855 49.208,856 64.806,857 4.901,858 141.253,859 45.954,860 141.253,861 188.923,862 25.145,864 45.954,865 141.253,866 25.145,869 78.441,870 110.483,872 45.954,873 141.253,874 92.655,875 167.368,878 141.253,879 29.653,880 77.058,881 80.444,882 72.867,883 141.253,884 92.655,885 167.368,887 0.59,888 0.357,889 0.201,890 0.125,891 22,892 10,893 0.049,894 2,895 2,896 1.211,897 3.573,898 223.828,899 0.211,900 19,901 112.096,904 15.927,905 6.056,906 2.633,907 1.971,908 90.756,909 13.388,914 4.082,915 2.006,916 17.888,917 401.275,918 40,922 12.503,924 4.128,925 0.581,926 38.382,927 42.12,928 0.314,929 0.745,930 0.848,931 0.926,932 0.926,933 0.926,934 4.977,935 1.491,936 5.832,937 4.641,938 4.419,939 5.053,940 2.562,941 6.715,942 4.349,943 6.232,944 1,945 7.433,946 4.354,947 4.111,948 4.987,950 7.763,951 3.986,952 7.574,953 0.955,954 9.135,955 2.505,956 6.075,957 7.36,958 3.638,959 10.935,960 5.955,961 8.951,962 0.568,963 10.897,964 2.275,965 6.581,966 8.138,968 12.872,969 6.421,970 10.36,971 0.162,972 12.701,973 0.965,974 8.047,975 9.994,976 4.978,977 15.606,978 7.88,979 11.795,981 14.535,982 0.356,983 8.94,984 11.186,986 17.926,987 8.74,988 13.25,989 -0.307,990 16.394,992 10.229,993 12.846,994 6.381,995 20.528,996 10.012,997 3.438,998 -0.557,999 18.273,1000 -0.778,1001 11.307,1002 14.241,1004 22.997,1005 11.059,1006 2.67,1007 12.827,1008 20.169,1009 -1.321,1010 12.541,1011 15.831,1012 7.798,1013 25.56,1014 12.27,1015 2.6,1016 8.482,1017 22.079,1018 4.79,1019 13.704,1020 17.319,1022 28.083,1023 13.402,1024 2.415,1025 8.343,1026 24.001,1027 3.694,1028 14.926,1029 18.887,1030 9.218,1031 30.636,1032 14.597,1033 2.161,1034 7.236,1035 25.933,1036 3.513,1037 16.126,1038 20.417,1040 33.178,1041 15.768,1042 2.092,1043 6.283,1044 27.872,1045 3.193,1046 17.349,1047 21.98,1048 10.638,1049 35.729,1050 16.963,1051 1.6,1052 5.924,1053 29.819,1054 2.842,1055 18.567,1056 23.529,1058 38.277,1059 18.151,1060 6216,1061 11429,1062 18.611,1063 28.637,1064 44.05,1065 46.675,1066 44.718,1067 42.617,1068 42.305,1069 58.337,1070 8.637,1071 128.381,1072 40.609,1073 5.681,1074 6.057,1075 6.781,1076 5.447,1077 5.438,1078 7.79,1079 4.069,1080 20.355,1081 5.343,1082 12.582,1083 1.573,1084 1.667,1085 1.597,1086 1.522,1087 1.511,1088 2.083,1089 0.308,1090 4.585,1091 1.45,1092 4.183,1093 4.212,1094 6.88,1095 4.101,1096 7.429,1097 4.108,1098 3.906,1099 3.932,1100 4.139,1101 3.858,1102 6.82,1103 3.853,1104 3.643,1105 3.686,1106 3.85,1107 3.529,1108 4.941,1109 3.524,1110 3.397,1111 3.457,1112 3.529,1113 3.241,1114 4.679,1115 3.248,1116 3.207,1117 3.26,1118 3.288,1119 3.04,1120 4.612,1121 3.046,1122 3.086,1123 3.137,1124 3.121,1125 2.884,1126 4.153,1127 2.902,1128 2.911,1129 2.973,1130 2.956,1131 2.794,1132 3.762,1133 2.782,1134 2.854,1135 2.925,1136 2.777,1137 2.735,1138 3.674,1139 2.715,1140 0.173,1141 0.145,1142 0.258,1143 0.158,1144 0.123,1145 4.842,1146 0.171,1147 4.057,1148 0.073,1149 7.229,1150 0.458,1151 4.411,1152 0.119,1153 3.438,1154 4.79,1155 2.035,1156 12.827,1157 3.343,1158 1.963,1159 1.94,1160 2.05,1161 2.055,1162 1.225,1163 2.055,1164 1.911,1165 1.891,1166 1.974,1167 1.983,1168 1.144,1169 1.985,1170 1.726,1171 1.689,1172 1.818,1173 1.901,1174 0.931,1175 1.88,1176 1.348,1177 1.291,1178 1.562,1179 1.54,1180 0.699,1181 1.554,1182 1.153,1183 1.102,1184 1.364,1185 1.394,1186 0.464,1187 1.389,1188 0.956,1189 0.911,1190 1.181,1191 1.198,1192 0.218,1193 1.168,1194 0.927,1195 0.878,1196 1.137,1197 1.086,1198 0.173,1199 1.107,1200 0.886,1201 0.821,1202 1.056,1203 1.062,1204 0.14,1205 1.105,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.949,1212 8.618,1213 7.261,1214 10.333,1215 3.507,1216 1.894,1222 0.542,1223 2.581,1229 8.949,1230 2.12,1231 27.46,1232 62.605,1233 148.509,1234 169.015,1235 184.666,1236 184.666,1237 184.666,1238 37.639,1239 7.657,1240 74.47,1241 74.47,1242 23,1243 12.811,1244 4.322,1245 3.7,1246 35.687,1247 77,1248 105,1249 0.228,1250 174.337,1251 298.15,1252 417.143,1253 20554,1254 2.6,1255 17.552,1256 0.702,1257 0.598,1258 18.552,1259 14.962,1260 12.08,1261 0.431,1262 0.305,1263 7.711,1264 11.175,1265 7.448,1266 6.152,1267 12.657,1268 8.533,1269 11.127,1270 0.271,1271 0.167,1272 11.944,1273 6.834,1274 9.741,1275 0.168,1276 0.084,1277 10.265,1278 4.844,1279 8.384,1280 0.101,1281 0.043,1282 8.823,1283 3.565,1284 7.532,1285 0.065,1286 0.023,1287 8.056,1288 2.72,1289 0.343,1290 83.227,1291 0.232,1292 23.627,1293 0.671,1294 138,1295 399.658,1296 212.968,1297 435.21,1298 587.96,1299 404,1300 168,1301 412.751,1302 206.639,1303 434.979,1304 637.12,1305 409,1306 5} {0 CHEMBL2088663,1 1.647,2 8.64,3 3.836,4 14.711,5 99.332,6 10.349,7 0.571,8 3.766,9 3.865,10 3.623,11 3.438,12 4.988,13 3.417,14 4.257,15 4.391,16 4.061,17 3.85,18 5.416,19 3.814,20 4.494,21 4.64,22 4.163,23 4.004,24 5.69,25 3.943,26 4.584,27 4.765,28 4.132,29 4.002,30 5.704,31 3.936,32 4.582,33 4.766,34 4.178,35 3.975,36 5.746,37 3.899,38 4.579,39 4.77,40 4.215,41 3.94,42 5.803,43 3.851,44 4.445,45 4.642,46 4.06,47 3.806,48 5.627,49 3.683,50 4.162,51 4.375,52 3.675,53 3.498,54 5.409,55 3.386,56 0.057,57 0.54,58 3.103,59 2.826,60 7.998,61 3.226,62 0.136,63 0.874,64 8.052,65 5.06,66 14.836,67 5.865,68 0.264,69 1.096,70 18.603,71 7.029,72 28.221,73 7.8,74 0.231,75 1.22,76 18.245,77 7.681,78 31.528,79 8.719,80 0.25,81 1.175,82 16.519,83 7.814,84 37.063,85 8.882,86 0.35,87 1.148,88 19.339,89 8.177,90 58.017,91 8.863,92 0.335,93 0.947,94 41.559,95 8.915,96 43.834,97 9.44,98 0.154,99 0.758,100 17.18,101 5.938,102 28.47,103 6.983,104 18,105 41,106 0.288,107 0.682,108 0.795,109 0.885,110 0.885,111 0.885,112 3.269,113 0.914,114 -4.19,115 -4.14,116 -3.91,117 1,119 50,120 1,124 1,133 7,134 4,135 1,143 2,146 1,147 2,157 1,159 9,162 7,164 1,168 12,171 2,172 8,174 1,176 2,178 9,181 1,182 7,187 1,190 6,194 8,199 3,202 9,205 1,206 6,211 3,213 13,217 5,222 3,224 10,229 6,234 1,237 6,241 1,242 3,245 1,250 3,255 881,256 16.955,257 16.955,258 16.955,259 16.955,260 16.955,261 14.572,262 20.114,263 9.751,264 17.271,265 13.76,266 13.76,267 13.76,268 13.76,269 13.76,270 9.999,271 25.716,272 4.561,273 14.315,274 3.6,275 1.34,276 0.695,277 0.178,278 0.178,279 0.178,280 3.964,284 1,285 470,286 2.646,288 38.112,289 162.27,291 145.364,295 1.123,296 21.196,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.75,307 216,308 4.842,309 4.058,310 7.229,311 4.411,312 3.439,313 4.791,314 2.035,315 12.827,316 3.343,317 4.137,318 3.714,319 6.05,320 3.696,321 2.704,322 3.729,323 0.98,324 8.493,325 2.684,326 4.007,327 3.212,328 6.004,329 3.571,330 2.6,331 3.513,332 0.782,333 8.37,334 2.521,335 3.804,336 2.905,337 5.571,338 3.365,339 2.404,340 3.182,341 0.522,342 7.533,343 2.311,344 3.558,345 2.851,346 5.112,347 3.087,348 2.148,349 2.815,351 6.052,352 2.038,353 3.507,354 2.624,355 4.949,356 2.97,357 2.015,358 2.717,360 5.761,361 1.796,362 3.116,363 2.218,364 4.715,365 2.572,366 1.599,367 2.302,369 4.617,370 1.553,371 2.968,372 1.823,373 4.58,374 2.448,375 1.492,376 1.984,378 4.346,379 1.369,380 2.849,381 1.768,382 3.786,383 2.212,384 1.216,385 1.786,386 2.695,387 1.211,388 2.614,389 1.248,390 3.493,391 1.897,392 0.922,393 1.262,394 2.406,395 0.885,396 2.337,397 1.03,398 3.079,399 1.375,400 0.43,401 0.875,402 0.626,403 0.405,404 1.475,405 0.932,406 2.774,407 1.2,408 0.162,409 0.193,411 0.357,412 0.166,413 1.3,414 0.364,415 2.719,416 0.963,422 1.024,423 0.126,424 2.648,425 0.535,426 -0.309,427 -0.388,429 -0.811,430 -0.191,431 0.837,432 -0.05,433 2.428,434 0.351,435 -0.632,436 -0.84,438 -1.48,439 -0.613,440 12.767,441 0.511,442 0.678,443 0.027,444 35.75,445 1.43,446 20,447 0.8,448 15.75,449 0.63,450 20.223,451 0.809,452 23.833,453 0.627,454 24.539,455 0.982,456 6.856,457 0.274,458 5.224,459 0.209,460 0.201,462 0.384,466 0.612,467 0.977,468 0.463,469 0.702,470 0.474,471 0.725,472 0.669,473 1.021,474 0.544,475 0.721,476 0.456,477 0.75,478 0.814,479 1.058,480 0.933,481 1.011,482 0.72,483 1.023,484 0.986,485 1.044,486 0.681,487 0.921,488 0.854,489 0.992,490 1.08,491 1.069,492 0.636,493 0.935,494 0.985,495 1.023,496 1.378,497 0.883,498 0.802,499 0.874,500 1.467,501 0.971,502 1.134,503 0.933,504 1.79,505 1.387,506 1.072,507 1.171,508 0.954,509 1.116,510 0.926,511 1.037,512 1.003,513 1.06,514 5,515 0.054,516 2.667,517 2.674,518 1.925,519 1.112,520 0.555,521 0.431,522 0.269,523 0.137,524 6284,525 20744,526 2.105,527 34.2,529 9,532 1,533 3,536 1.688,537 1.948,538 3.069,539 -0.317,541 1,545 62.605,546 1.647,547 3.908,548 4.553,549 5.07,550 5.07,551 5.07,552 2.423,553 4.404,554 4.614,555 3.189,556 956.735,557 8.025,558 11059,560 1,562 1,563 199.421,564 1.473,565 4.565,566 0.179,567 0.011,568 0.065,569 0.061,570 0.046,571 0.029,572 0.015,573 0.015,574 0.012,575 0.011,576 0.442,577 0.5,578 1,579 0.795,580 117.051,581 0.028,582 0.042,583 0.001,584 0.021,585 0.009,586 0.027,587 0.058,588 -0.015,589 0.031,590 0.074,591 0.049,592 0.082,593 0.077,594 -0.064,595 -0.093,596 -0.125,597 0.005,598 -0.149,599 -0.087,600 -0.036,601 -0.027,602 -0.057,603 -0.053,604 -0.071,605 -0.09,606 -0.101,607 0.031,608 -0.045,609 -0.049,610 -0.073,611 -0.151,612 0.075,613 0.041,614 0.088,615 -0.173,616 0.013,617 -0.033,618 -0.046,619 -0.149,620 -0.177,621 -0.057,622 -0.07,623 -0.034,624 -0.184,625 0.009,626 -0.028,627 0.027,628 -0.002,629 1.885,630 5.517,631 0.76,632 18.49,633 1.01,634 1.108,635 2.964,636 8.783,637 0.754,638 3.367,639 3.738,640 4.078,641 4.443,642 4.762,643 4.905,644 5.063,645 5.236,646 5.268,647 5.242,648 5.175,649 0.723,650 393.26,651 3.367,652 4.934,653 5.82,654 6.739,655 7.653,656 8.584,657 9.51,658 10.446,659 11.379,660 12.32,661 10.5,668 1,669 1,670 2,674 2,675 7,680 5,681 1,682 16,683 1,698 1,699 38,700 19,701 2,702 28,703 1,704 41,705 19,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,720 1,721 16,722 2,724 2,728 1,730 1,731 2,733 1,736 13,737 4,738 1,739 6,740 1,743 4,747 0.5,748 1,756 1,759 1,760 3,762 2,777 2,780 1,781 1,785 25,789 1,790 1,796 1,798 1,799 1,800 1,801 2.6,804 1,808 12.833,809 7.493,810 5.444,811 2.24,812 3.729,813 1.487,814 1.04,815 3.858,816 11.386,817 3.714,818 4.366,819 5.044,820 5.729,821 6.355,822 6.766,823 7.217,824 7.676,825 7.968,826 8.245,827 0.833,828 44,829 9.192,831 3.992,832 7.83,833 17.383,835 14.545,837 2.33,838 58.25,842 141.253,843 121.413,844 113.464,846 25.145,849 167.368,850 166.398,851 67.51,852 8.825,853 19.994,854 66.334,855 49.208,856 64.806,857 4.901,858 141.253,859 45.954,860 141.253,861 188.923,862 25.145,864 45.954,865 141.253,866 25.145,869 78.441,870 110.483,872 45.954,873 141.253,874 92.655,875 167.368,878 141.253,879 29.653,880 77.058,881 80.444,882 72.867,883 141.253,884 92.655,885 167.368,887 0.588,888 0.356,889 0.206,890 0.126,891 22,892 10,893 0.049,894 2,895 2,896 1.211,897 3.548,898 225.176,899 0.211,900 19,901 116.096,904 15.927,905 6.056,906 2.633,907 1.944,908 90.756,909 13.391,914 3.979,915 1.987,916 17.888,917 401.275,918 40,922 12.517,924 4.125,925 0.562,926 38.382,927 42.12,928 0.314,929 0.745,930 0.868,931 0.966,932 0.966,933 0.966,934 4.977,935 1.492,936 5.832,937 4.617,938 4.419,939 5.053,940 2.562,941 6.718,942 4.349,943 6.232,944 1.216,945 7.433,946 4.346,947 4.111,948 4.987,950 7.763,951 3.986,952 7.574,953 0.922,954 9.135,955 2.695,956 6.075,957 7.36,958 3.638,959 10.942,960 5.955,961 8.951,962 0.43,963 10.898,964 2.406,965 6.581,966 8.138,968 12.876,969 6.421,970 10.36,971 0.162,972 12.702,973 0.626,974 8.049,975 9.996,976 4.978,977 15.613,978 7.882,979 11.795,981 14.537,982 0.357,983 8.944,984 11.188,986 17.93,987 8.744,988 13.252,989 -0.309,990 16.397,992 10.234,993 12.85,994 6.381,995 20.532,996 10.018,997 3.439,998 -0.632,999 18.276,1000 -0.811,1001 11.313,1002 14.245,1004 22.999,1005 11.066,1006 2.704,1007 12.827,1008 20.173,1009 -1.48,1010 12.547,1011 15.835,1012 7.798,1013 25.562,1014 12.277,1015 2.6,1016 8.493,1017 22.083,1018 4.791,1019 13.71,1020 17.323,1022 28.084,1023 13.41,1024 2.404,1025 8.37,1026 24.004,1027 3.729,1028 14.932,1029 18.891,1030 9.218,1031 30.637,1032 14.605,1033 2.148,1034 7.533,1035 25.936,1036 3.513,1037 16.131,1038 20.421,1040 33.178,1041 15.775,1042 2.015,1043 6.052,1044 27.876,1045 3.182,1046 17.354,1047 21.983,1048 10.638,1049 35.73,1050 16.97,1051 1.599,1052 5.761,1053 29.822,1054 2.815,1055 18.571,1056 23.532,1058 38.277,1059 18.157,1060 6068,1061 11123,1062 18.611,1063 28.637,1064 44.142,1065 46.749,1066 44.706,1067 42.553,1068 42.261,1069 58.302,1070 8.637,1071 128.167,1072 40.565,1073 5.682,1074 6.058,1075 6.821,1076 5.447,1077 5.439,1078 7.791,1079 4.069,1080 20.355,1081 5.343,1082 12.479,1083 1.576,1084 1.67,1085 1.597,1086 1.52,1087 1.509,1088 2.082,1089 0.308,1090 4.577,1091 1.449,1092 4.183,1093 4.212,1094 6.88,1095 4.101,1096 7.429,1097 4.108,1098 3.907,1099 3.932,1100 4.139,1101 3.858,1102 6.82,1103 3.853,1104 3.643,1105 3.686,1106 3.851,1107 3.529,1108 4.941,1109 3.524,1110 3.384,1111 3.446,1112 3.529,1113 3.224,1114 4.681,1115 3.229,1116 3.201,1117 3.254,1118 3.264,1119 3.037,1120 4.612,1121 3.048,1122 3.12,1123 3.176,1124 3.126,1125 2.907,1126 4.158,1127 2.925,1128 2.959,1129 3.015,1130 2.995,1131 2.842,1132 3.767,1133 2.831,1134 2.86,1135 2.915,1136 2.824,1137 2.782,1138 3.677,1139 2.752,1140 0.173,1141 0.145,1142 0.258,1143 0.158,1144 0.123,1145 4.842,1146 0.171,1147 4.058,1148 0.073,1149 7.229,1150 0.458,1151 4.411,1152 0.119,1153 3.439,1154 4.791,1155 2.035,1156 12.827,1157 3.343,1158 1.964,1159 1.94,1160 2.05,1161 2.055,1162 1.225,1163 2.055,1164 1.911,1165 1.891,1166 1.974,1167 1.983,1168 1.144,1169 1.985,1170 1.725,1171 1.688,1172 1.818,1173 1.9,1174 0.931,1175 1.88,1176 1.338,1177 1.278,1178 1.562,1179 1.535,1180 0.699,1181 1.551,1182 1.144,1183 1.094,1184 1.36,1185 1.386,1186 0.465,1187 1.381,1188 1.049,1189 0.993,1190 1.222,1191 1.26,1192 0.192,1193 1.246,1194 0.927,1195 0.881,1196 1.137,1197 1.109,1198 0.175,1199 1.129,1200 0.854,1201 0.817,1202 0.989,1203 0.983,1204 0.14,1205 1.006,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.949,1212 8.62,1213 7.261,1214 10.336,1215 3.505,1216 1.888,1222 0.504,1223 2.576,1229 9.117,1230 2.156,1231 27.46,1232 62.605,1233 148.509,1234 173.015,1235 192.666,1236 192.666,1237 192.666,1238 38.054,1239 7.657,1240 74.47,1241 74.47,1242 23,1243 12.816,1244 4.322,1245 3.7,1246 35.587,1247 75,1248 90,1249 0.234,1250 174.337,1251 298.15,1252 417.143,1253 20554,1254 2.6,1255 17.552,1256 0.702,1257 0.598,1258 18.552,1259 14.962,1260 12.08,1261 0.431,1262 0.305,1263 7.711,1264 11.175,1265 7.447,1266 6.153,1267 12.657,1268 8.533,1269 11.139,1270 0.272,1271 0.167,1272 11.956,1273 6.837,1274 9.666,1275 0.167,1276 0.083,1277 10.191,1278 4.818,1279 8.496,1280 0.101,1281 0.043,1282 8.935,1283 3.62,1284 7.568,1285 0.065,1286 0.023,1287 8.092,1288 2.707,1289 0.35,1290 83.227,1291 0.232,1292 23.479,1293 0.7,1294 138,1295 399.658,1296 212.968,1297 435.275,1298 587.98,1299 404,1300 168,1301 412.751,1302 206.639,1303 435.114,1304 637.36,1305 409,1306 5} {0 CHEMBL2088664,1 1.663,2 9.36,3 3.94,4 15.525,5 100.058,6 9.714,7 0.571,8 3.84,9 3.941,10 3.643,11 3.452,12 4.986,13 3.432,14 4.351,15 4.495,16 4.076,17 3.855,18 5.463,19 3.823,20 4.535,21 4.678,22 4.173,23 4.011,24 5.675,25 3.954,26 4.643,27 4.82,28 4.127,29 4.037,30 5.682,31 3.959,32 4.685,33 4.895,34 4.166,35 4.019,36 5.727,37 3.921,38 4.635,39 4.832,40 4.207,41 3.955,42 5.773,43 3.853,44 4.492,45 4.695,46 4.027,47 3.782,48 5.603,49 3.645,50 4.267,51 4.512,52 3.611,53 3.455,54 5.253,55 3.327,56 0.061,57 0.581,58 4.882,59 3.494,60 6.083,61 4.096,62 0.214,63 0.941,64 12.682,65 6.098,66 18.132,67 7.089,68 0.306,69 1.127,70 21.432,71 7.751,72 27.326,73 8.81,74 0.247,75 1.259,76 20.918,77 8.633,78 19.868,79 10.297,80 0.284,81 1.266,82 24.111,83 9.433,84 32.492,85 11.788,86 0.39,87 1.157,88 24.265,89 9.13,90 46.783,91 10.685,92 0.337,93 0.973,94 42.687,95 9.227,96 41.126,97 10.292,98 0.243,99 0.79,100 22.718,101 6.75,102 28.336,103 8.136,104 18,105 41,106 0.289,107 0.663,108 0.782,109 0.848,110 0.848,111 0.848,112 3.269,113 0.929,114 -4.27,115 -4.21,116 -3.97,117 1,119 46.3,120 1,123 1,124 1,133 7,134 3,135 2,143 2,146 1,147 1,157 1,159 7,162 8,164 1,168 10,171 2,172 8,174 1,176 2,178 8,181 1,182 6,187 1,190 6,194 6,199 3,202 9,205 1,206 6,211 3,213 13,217 5,222 3,224 7,229 5,237 4,241 1,242 2,245 1,250 2,255 899,256 16.955,257 16.955,258 16.955,259 16.955,260 16.955,261 14.663,262 21.102,263 9.714,264 17.44,265 13.743,266 13.743,267 13.743,268 13.743,269 13.743,270 10.177,271 26.892,272 4.539,273 14.467,274 3.694,275 1.544,276 0.858,277 0.476,278 0.476,279 0.476,280 3.964,284 1,285 511,286 2.646,288 39.386,289 164.347,291 149.249,295 1.254,296 18.816,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 0.87,306 53.25,307 234,308 4.842,309 3.714,310 7.229,311 4.411,312 3.438,313 4.79,314 0.98,315 12.827,316 3.343,317 4.047,318 3.213,319 6.049,320 3.646,321 2.67,322 3.642,323 0.86,324 8.482,325 2.606,326 4.006,327 2.939,328 6.002,329 3.569,330 2.6,331 3.513,332 0.782,333 8.343,334 2.519,335 3.786,336 2.861,337 5.472,338 3.364,339 2.415,340 3.18,341 0.522,342 7.236,343 2.296,344 3.522,345 2.765,346 5.159,347 3.115,348 2.161,349 2.815,351 6.283,352 2.046,353 3.442,354 2.473,355 5.029,356 3.001,357 2.092,358 2.731,360 5.924,361 1.8,362 3.102,363 1.867,364 4.73,365 2.573,366 1.6,367 2.301,369 4.641,370 1.553,371 2.887,372 1.769,373 4.582,374 2.444,375 1.491,376 1.967,378 4.354,379 1.363,380 2.5,381 1.182,382 3.787,383 2,384 1,385 1.5,386 2.505,387 1,388 2.352,389 1.024,390 3.414,391 1.926,392 0.955,393 1.283,394 2.275,395 0.915,396 1.741,397 1,398 3.121,399 1.449,400 0.568,401 0.642,402 0.965,403 0.493,404 1.473,405 0.926,406 2.799,407 1.2,408 0.162,409 0.193,411 0.356,412 0.166,413 1.251,414 0.403,415 2.758,416 0.936,422 1.024,423 0.174,424 2.578,425 0.535,426 -0.307,427 -0.384,429 -0.778,430 -0.187,431 0.795,432 -0.063,433 2.394,434 0.4,435 -0.557,436 -0.693,438 -1.321,439 -0.526,440 12.7,441 0.508,442 0.678,443 0.027,444 33.5,445 1.34,446 17.5,447 0.7,448 16,449 0.64,450 21.285,451 0.851,452 25.1,453 0.612,454 23.216,455 0.929,456 6.626,457 0.265,458 5.454,459 0.218,460 0.21,462 0.386,466 0.707,467 1.093,468 0.475,469 0.798,470 0.577,471 0.801,472 0.962,473 1.005,474 0.548,475 0.673,476 0.618,477 0.698,478 0.92,479 1.076,480 0.956,481 0.986,482 0.876,483 0.991,484 0.906,485 1.131,486 0.697,487 0.974,488 0.849,489 1.058,490 0.801,491 1.002,492 0.599,493 0.867,494 0.992,495 0.946,496 1.135,497 0.965,498 0.793,499 0.876,500 1.593,501 0.958,502 1.01,503 1.091,504 1.802,505 1.448,506 1.27,507 1.245,508 1.102,509 0.876,510 0.894,511 0.888,512 1.025,513 0.917,514 5,515 0.087,516 2.889,517 2.424,518 2.005,519 1.167,520 0.593,521 0.35,522 0.301,523 0.15,524 6444,525 19816,526 2.105,527 39,529 12,532 1,533 3,536 1.686,537 1.948,538 3.13,539 -0.317,541 1,545 68.194,546 1.663,547 3.814,548 4.5,549 4.882,550 4.882,551 4.882,552 2.603,553 4.214,554 4.61,555 3.276,556 982.805,557 8.01,558 11310.7,560 1,562 1,563 219.66,564 1.473,565 4.565,566 0.179,567 0.01,568 0.07,569 0.055,570 0.049,571 0.031,572 0.017,573 0.013,574 0.016,575 0.011,576 0.45,577 0.5,578 1,579 0.795,580 117.607,581 0.016,582 -0.01,583 0.004,584 -0.014,585 -0.044,586 0.011,587 -0.039,588 0.051,589 0.041,590 0.161,591 0.041,592 0.167,593 0.005,594 -0.027,595 -0.094,596 -0.084,597 -0.005,598 -0.114,599 -0.09,600 -0.098,601 -0.045,602 -0.113,603 -0.066,604 -0.148,605 -0.019,606 -0.017,607 0.061,608 0.028,609 0.011,610 0.03,611 -0.066,612 -0.005,613 0.054,614 0.073,615 -0.112,616 0.013,617 -0.027,618 -0.169,619 -0.149,620 -0.277,621 -0.042,622 -0.194,623 -0.079,624 0.067,625 0.036,626 0.102,627 -0.062,628 0.123,629 1.846,630 5.526,631 0.76,632 19.558,633 1.009,634 1.114,635 3.038,636 9.227,637 0.722,638 3.367,639 3.738,640 4.078,641 4.431,642 4.762,643 4.905,644 5.05,645 5.226,646 5.268,647 5.247,648 5.356,649 0.688,650 398.28,651 3.367,652 4.934,653 5.82,654 6.737,655 7.651,656 8.579,657 9.506,658 10.441,659 11.374,660 12.313,661 7.3,668 1,669 1,670 1,674 2,675 7,680 5,681 1,682 16,697 1,698 1,699 41,700 18,701 2,702 28,703 1,704 44,705 19,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 3,724 2,728 1,730 1,731 2,733 1,736 16,737 4,738 1,739 6,740 1,743 3,747 0.5,748 2,756 1,759 1,760 3,762 2,777 2,780 1,781 2,785 25,789 1,790 1,791 1,800 1,801 4.9,804 1,806 1,808 12.833,809 8.21,810 5.444,811 2.336,812 3.507,813 1.458,814 1.028,815 4.138,816 11.164,817 3.664,818 4.341,819 5.005,820 5.692,821 6.327,822 6.736,823 7.17,824 7.649,825 7.928,826 8.182,827 1,828 44,829 9.209,831 3.952,832 7.71,833 17.584,835 14.589,837 2.21,838 55.25,841 1,842 176.567,843 117.753,844 82.404,846 36.145,849 163.707,850 212.711,851 36.45,852 19.708,853 19.994,854 66.334,855 32.606,856 46.805,857 4.901,858 176.567,859 45.954,860 176.567,861 154.203,862 36.145,864 45.954,865 176.567,866 36.145,869 47.381,870 106.822,872 45.954,873 176.567,874 72.595,875 163.707,878 176.567,879 31.711,880 87.941,881 63.842,882 52.808,883 176.567,884 72.595,885 163.707,887 0.59,888 0.357,889 0.201,890 0.125,891 22,892 10,893 0.068,894 3,895 2,896 1.211,897 3.573,898 223.828,899 0.211,900 19,901 112.096,904 16.369,905 6.32,906 2.774,907 2.032,908 70.696,909 13.934,914 4.428,915 2.048,916 17.888,917 412.868,918 38,922 12.526,924 4.147,925 0.632,926 41.374,927 45.662,928 0.31,929 0.712,930 0.84,931 0.911,932 0.911,933 0.911,934 4.92,935 1.491,936 5.832,937 4.641,938 4.419,939 5.027,940 1.819,941 6.715,942 4.332,943 6.168,944 1,945 7.433,946 4.354,947 4.111,948 4.987,950 7.763,951 3.964,952 7.51,953 0.955,954 9.135,955 2.505,956 6.075,957 7.334,958 1.576,959 10.935,960 5.929,961 8.891,962 0.568,963 10.897,964 2.275,965 6.581,966 8.125,968 12.872,969 6.393,970 10.304,971 0.162,972 12.701,973 0.965,974 8.047,975 9.973,976 1.405,977 15.606,978 7.852,979 11.743,981 14.535,982 0.356,983 8.94,984 11.171,986 17.926,987 8.714,988 13.203,989 -0.307,990 16.394,992 10.229,993 12.83,994 1.278,995 20.528,996 9.988,997 3.438,998 -0.557,999 18.273,1000 -0.778,1001 11.307,1002 14.229,1004 22.997,1005 11.038,1006 2.67,1007 12.827,1008 20.169,1009 -1.321,1010 12.541,1011 15.819,1012 1.178,1013 25.56,1014 12.252,1015 2.6,1016 8.482,1017 22.079,1018 4.79,1019 13.704,1020 17.31,1022 28.083,1023 13.386,1024 2.415,1025 8.343,1026 24.001,1027 3.642,1028 14.926,1029 18.879,1030 1.098,1031 30.636,1032 14.584,1033 2.161,1034 7.236,1035 25.933,1036 3.513,1037 16.126,1038 20.411,1040 33.178,1041 15.757,1042 2.092,1043 6.283,1044 27.872,1045 3.18,1046 17.349,1047 21.975,1048 1.033,1049 35.729,1050 16.954,1051 1.6,1052 5.924,1053 29.819,1054 2.815,1055 18.567,1056 23.525,1058 38.277,1059 18.144,1060 6216,1061 11013,1062 18.611,1063 29.608,1064 42.826,1065 44.23,1066 44.718,1067 42.595,1068 42.305,1069 57.115,1070 6.287,1071 128.381,1072 40.202,1073 5.682,1074 5.714,1075 6.781,1076 5.447,1077 5.438,1078 7.79,1079 1.96,1080 20.355,1081 5.343,1082 12.582,1083 1.53,1084 1.58,1085 1.597,1086 1.521,1087 1.511,1088 2.04,1089 0.225,1090 4.585,1091 1.436,1092 4.183,1093 4.211,1094 6.88,1095 4.1,1096 7.429,1097 4.108,1098 3.894,1099 3.916,1100 4.138,1101 3.831,1102 4.951,1103 3.827,1104 3.643,1105 3.686,1106 3.831,1107 3.528,1108 4.845,1109 3.524,1110 3.392,1111 3.45,1112 3.529,1113 3.209,1114 4.615,1115 3.214,1116 3.235,1117 3.298,1118 3.25,1119 2.997,1120 4.383,1121 3.005,1122 3.128,1123 3.192,1124 3.092,1125 2.887,1126 4.127,1127 2.902,1128 2.94,1129 3.001,1130 2.949,1131 2.805,1132 3.759,1133 2.795,1134 2.854,1135 2.925,1136 2.789,1137 2.747,1138 3.674,1139 2.715,1140 0.173,1141 0.133,1142 0.258,1143 0.158,1144 0.123,1145 4.842,1146 0.171,1147 3.714,1148 0.035,1149 7.229,1150 0.458,1151 4.411,1152 0.119,1153 3.438,1154 4.79,1155 0.98,1156 12.827,1157 3.343,1158 1.957,1159 1.936,1160 2.042,1161 2.053,1162 1.223,1163 2.052,1164 1.899,1165 1.878,1166 1.972,1167 1.983,1168 1.142,1169 1.983,1170 1.719,1171 1.684,1172 1.816,1173 1.9,1174 0.928,1175 1.878,1176 1.335,1177 1.276,1178 1.598,1179 1.57,1180 0.701,1181 1.581,1182 1.189,1183 1.121,1184 1.522,1185 1.469,1186 0.567,1187 1.492,1188 1.057,1189 0.985,1190 1.331,1191 1.344,1192 0.453,1193 1.345,1194 0.927,1195 0.88,1196 1.181,1197 1.104,1198 0.218,1199 1.125,1200 0.886,1201 0.821,1202 1.137,1203 1.062,1204 0.166,1205 1.107,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.949,1212 8.618,1213 7.261,1214 10.333,1215 3.524,1216 3.561,1222 0.595,1223 2.604,1224 5.218,1231 28.207,1232 68.194,1233 156.357,1234 184.498,1235 200.15,1236 200.15,1237 200.15,1238 35.073,1239 7.657,1240 59.91,1241 59.91,1242 23,1243 12.811,1244 4.248,1245 3.459,1246 35.687,1247 77,1248 105,1249 0.228,1250 177.394,1251 301.22,1252 424.601,1253 20554,1254 2.4,1255 17.552,1256 0.702,1257 0.617,1258 18.552,1259 15.423,1260 12.08,1261 0.431,1262 0.31,1263 7.816,1264 11.061,1265 7.517,1266 6.229,1267 12.657,1268 8.672,1269 11.127,1270 0.271,1271 0.168,1272 11.944,1273 6.873,1274 9.741,1275 0.168,1276 0.085,1277 10.265,1278 4.92,1279 8.384,1280 0.101,1281 0.044,1282 8.823,1283 3.612,1284 7.532,1285 0.065,1286 0.024,1287 8.056,1288 2.731,1289 0.343,1290 83.988,1291 0.232,1292 23.627,1293 0.671,1294 138,1295 403.749,1296 215.153,1297 427.597,1298 581.64,1299 400,1300 168,1301 409.888,1302 208.63,1303 429.611,1304 631.84,1305 403,1306 5} {0 CHEMBL2088665,1 1.663,2 8.64,3 3.94,4 15.525,5 100.058,6 9.714,7 0.571,8 3.84,9 3.941,10 3.643,11 3.452,12 4.986,13 3.432,14 4.351,15 4.495,16 4.076,17 3.855,18 5.463,19 3.823,20 4.535,21 4.678,22 4.173,23 4.011,24 5.672,25 3.954,26 4.643,27 4.82,28 4.145,29 4.038,30 5.683,31 3.965,32 4.696,33 4.894,34 4.188,35 4.031,36 5.758,37 3.94,38 4.661,39 4.857,40 4.229,41 3.983,42 5.793,43 3.884,44 4.579,45 4.803,46 4.083,47 3.819,48 5.657,49 3.697,50 4.267,51 4.466,52 3.717,53 3.538,54 5.401,55 3.426,56 0.061,57 0.581,58 4.882,59 3.494,60 6.083,61 4.096,62 0.214,63 0.941,64 12.682,65 6.098,66 18.168,67 7.089,68 0.306,69 1.127,70 21.432,71 7.751,72 27.189,73 8.81,74 0.233,75 1.259,76 21.025,77 8.637,78 19.074,79 10.341,80 0.37,81 1.269,82 23.537,83 9.353,84 34.585,85 11.343,86 0.315,87 1.202,88 23.839,89 9.316,90 44.988,91 10.981,92 0.409,93 1.055,94 47.426,95 9.987,96 44.687,97 11.266,98 0.321,99 0.778,100 19.408,101 6.643,102 32.619,103 7.872,104 18,105 41,106 0.289,107 0.663,108 0.799,109 0.882,110 0.882,111 0.882,112 3.269,113 0.929,114 -4.27,115 -4.21,116 -3.97,117 1,119 46.3,120 1,123 1,124 1,133 7,134 3,135 2,143 2,146 1,147 1,157 1,159 7,162 8,164 1,168 10,171 2,172 8,174 1,176 2,178 8,181 1,182 5,187 1,190 6,193 1,194 7,199 3,202 9,206 6,211 3,213 10,217 7,222 2,224 8,228 1,229 4,232 1,234 1,237 5,241 1,242 2,250 2,255 881,256 16.955,257 16.955,258 16.955,259 16.955,260 16.955,261 14.663,262 21.102,263 9.751,264 17.44,265 13.76,266 13.76,267 13.76,268 13.76,269 13.76,270 10.183,271 28.2,272 4.561,273 14.482,274 3.694,275 1.544,276 0.76,277 0.281,278 0.281,279 0.281,280 3.964,284 1,285 470,286 2.646,288 38.112,289 162.27,291 145.364,295 1.123,296 19.034,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 0.87,306 53.25,307 216,308 4.842,309 3.714,310 7.229,311 4.411,312 3.439,313 4.791,314 0.98,315 12.827,316 3.343,317 4.077,318 3.213,319 6.05,320 3.678,321 2.704,322 3.676,323 0.86,324 8.493,325 2.634,326 4.006,327 2.974,328 6.004,329 3.57,330 2.6,331 3.513,332 0.782,333 8.37,334 2.52,335 3.78,336 2.862,337 5.571,338 3.355,339 2.404,340 3.173,341 0.522,342 7.533,343 2.291,344 3.518,345 2.747,346 5.112,347 3.075,348 2.148,349 2.815,351 6.052,352 1.97,353 3.346,354 2.415,355 4.949,356 2.948,357 2.015,358 2.594,360 5.761,361 1.781,362 3.098,363 1.859,364 4.715,365 2.571,366 1.599,367 2.298,369 4.617,370 1.551,371 2.889,372 1.769,373 4.58,374 2.445,375 1.492,376 1.973,378 4.346,379 1.366,380 2.676,381 1.337,382 3.786,383 2.205,384 1.216,385 1.753,386 2.695,387 1.2,388 2.338,389 1.03,390 3.493,391 1.896,392 0.922,393 1.261,394 2.406,395 0.885,396 1.584,397 0.941,398 3.079,399 1.295,400 0.43,401 0.482,402 0.626,403 0.368,404 1.475,405 0.927,406 2.774,407 1.2,408 0.162,409 0.193,411 0.357,412 0.166,413 1.299,414 0.362,415 2.719,416 0.963,422 1.024,423 0.126,424 2.648,425 0.535,426 -0.309,427 -0.388,429 -0.811,430 -0.191,431 0.767,432 -0.094,433 2.428,434 0.345,435 -0.632,436 -0.817,438 -1.48,439 -0.606,440 12.7,441 0.508,442 0.678,443 0.027,444 33.5,445 1.34,446 17.5,447 0.7,448 16,449 0.64,450 21.433,451 0.857,452 25.1,453 0.612,454 23.329,455 0.933,456 6.626,457 0.265,458 5.454,459 0.218,460 0.21,462 0.386,466 0.707,467 1.093,468 0.475,469 0.798,470 0.577,471 0.801,472 0.962,473 1.005,474 0.548,475 0.673,476 0.617,477 0.698,478 0.92,479 1.076,480 0.956,481 0.986,482 0.888,483 0.991,484 0.882,485 1.132,486 0.687,487 0.97,488 0.825,489 1.032,490 0.962,491 0.985,492 0.614,493 0.854,494 1.054,495 0.957,496 1.089,497 1.07,498 0.777,499 0.948,500 1.535,501 1.015,502 1.1,503 0.883,504 1.64,505 1.23,506 1.203,507 1.019,508 0.926,509 1.025,510 0.915,511 1.04,512 0.854,513 1.085,514 5,515 0.054,516 2.667,517 2.674,518 1.925,519 1.112,520 0.555,521 0.431,522 0.269,523 0.137,524 6284,525 19272,526 2.105,527 39,529 12,532 1,533 3,536 1.688,537 1.948,538 3.069,539 -0.317,541 1,545 68.194,546 1.663,547 3.814,548 4.598,549 5.077,550 5.077,551 5.077,552 2.423,553 4.404,554 4.614,555 3.189,556 956.735,557 8.025,558 11059,560 1,562 1,563 219.66,564 1.473,565 4.565,566 0.179,567 0.011,568 0.065,569 0.061,570 0.046,571 0.029,572 0.015,573 0.015,574 0.012,575 0.011,576 0.442,577 0.5,578 1,579 0.795,580 117.051,581 0.016,582 -0.01,583 0.004,584 -0.014,585 -0.044,586 0.011,587 -0.039,588 0.051,589 0.041,590 0.161,591 0.043,592 0.167,593 0.005,594 -0.027,595 -0.094,596 -0.084,597 -0.017,598 -0.114,599 -0.066,600 -0.098,601 -0.034,602 -0.109,603 -0.042,604 -0.122,605 -0.036,606 0.001,607 0.041,608 0.034,609 -0.022,610 -0.004,611 -0.09,612 -0.103,613 0.048,614 -0.011,615 -0.105,616 -0.048,617 -0.023,618 0.041,619 -0.087,620 -0.077,621 -0.012,622 0.046,623 0.185,624 -0.097,625 -0.006,626 -0.065,627 0.129,628 -0.094,629 1.851,630 5.544,631 0.76,632 18.49,633 1.009,634 1.114,635 3.038,636 9.227,637 0.722,638 3.367,639 3.738,640 4.078,641 4.443,642 4.762,643 4.905,644 5.063,645 5.236,646 5.268,647 5.242,648 5.175,649 0.688,650 398.28,651 3.367,652 4.934,653 5.82,654 6.739,655 7.653,656 8.584,657 9.51,658 10.446,659 11.379,660 12.32,661 7.3,668 1,669 1,670 1,674 2,675 7,680 5,681 1,682 16,697 1,698 1,699 41,700 18,701 2,702 28,703 1,704 44,705 19,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 3,724 2,728 1,730 1,731 2,733 1,736 16,737 4,738 1,739 6,740 1,743 3,747 0.5,748 2,756 1,759 1,760 3,762 2,777 2,780 1,781 2,785 25,789 1,790 1,791 1,800 1,801 4.9,804 1,806 1,808 12.833,809 8.21,810 5.444,811 2.336,812 3.524,813 1.46,814 1.028,815 4.138,816 11.181,817 3.664,818 4.341,819 5.005,820 5.7,821 6.323,822 6.737,823 7.177,824 7.653,825 7.925,826 8.178,827 0.833,828 44,829 9.211,831 3.955,832 7.71,833 17.584,835 14.589,837 2.21,838 55.25,841 1,842 176.567,843 117.753,844 82.404,846 36.145,849 163.707,850 212.711,851 36.45,852 19.708,853 19.994,854 66.334,855 32.606,856 46.805,857 4.901,858 176.567,859 45.954,860 176.567,861 154.203,862 36.145,864 45.954,865 176.567,866 36.145,869 47.381,870 106.822,872 45.954,873 176.567,874 72.595,875 163.707,878 176.567,879 31.711,880 87.941,881 63.842,882 52.808,883 176.567,884 72.595,885 163.707,887 0.588,888 0.356,889 0.206,890 0.126,891 22,892 10,893 0.068,894 3,895 2,896 1.211,897 3.548,898 225.176,899 0.211,900 19,901 116.096,904 16.369,905 6.32,906 2.774,907 2.019,908 70.696,909 13.926,914 4.37,915 2.041,916 17.888,917 412.868,918 38,922 12.544,924 4.148,925 0.623,926 41.374,927 45.662,928 0.31,929 0.712,930 0.858,931 0.948,932 0.948,933 0.948,934 4.92,935 1.492,936 5.832,937 4.617,938 4.419,939 5.027,940 1.819,941 6.718,942 4.332,943 6.168,944 1.216,945 7.433,946 4.346,947 4.111,948 4.987,950 7.763,951 3.964,952 7.51,953 0.922,954 9.135,955 2.695,956 6.075,957 7.334,958 1.576,959 10.942,960 5.929,961 8.891,962 0.43,963 10.898,964 2.406,965 6.581,966 8.125,968 12.876,969 6.393,970 10.304,971 0.162,972 12.702,973 0.626,974 8.049,975 9.974,976 1.405,977 15.613,978 7.854,979 11.743,981 14.537,982 0.357,983 8.944,984 11.174,986 17.93,987 8.718,988 13.204,989 -0.309,990 16.397,992 10.234,993 12.834,994 1.278,995 20.532,996 9.993,997 3.439,998 -0.632,999 18.276,1000 -0.811,1001 11.313,1002 14.233,1004 22.999,1005 11.044,1006 2.704,1007 12.827,1008 20.173,1009 -1.48,1010 12.547,1011 15.823,1012 1.178,1013 25.562,1014 12.257,1015 2.6,1016 8.493,1017 22.083,1018 4.791,1019 13.71,1020 17.314,1022 28.084,1023 13.392,1024 2.404,1025 8.37,1026 24.004,1027 3.676,1028 14.932,1029 18.883,1030 1.098,1031 30.637,1032 14.59,1033 2.148,1034 7.533,1035 25.936,1036 3.513,1037 16.131,1038 20.414,1040 33.178,1041 15.762,1042 2.015,1043 6.052,1044 27.876,1045 3.173,1046 17.354,1047 21.977,1048 1.033,1049 35.73,1050 16.958,1051 1.599,1052 5.761,1053 29.822,1054 2.815,1055 18.571,1056 23.528,1058 38.277,1059 18.148,1060 6068,1061 10741,1062 18.611,1063 29.608,1064 42.687,1065 44.26,1066 44.706,1067 42.524,1068 42.261,1069 57.043,1070 6.287,1071 128.167,1072 40.154,1073 5.682,1074 5.714,1075 6.821,1076 5.447,1077 5.439,1078 7.791,1079 1.96,1080 20.355,1081 5.343,1082 12.479,1083 1.525,1084 1.581,1085 1.597,1086 1.519,1087 1.509,1088 2.037,1089 0.225,1090 4.577,1091 1.434,1092 4.183,1093 4.211,1094 6.88,1095 4.1,1096 7.429,1097 4.108,1098 3.894,1099 3.916,1100 4.139,1101 3.831,1102 4.951,1103 3.827,1104 3.643,1105 3.686,1106 3.832,1107 3.528,1108 4.843,1109 3.523,1110 3.382,1111 3.442,1112 3.529,1113 3.205,1114 4.615,1115 3.207,1116 3.24,1117 3.304,1118 3.235,1119 2.986,1120 4.385,1121 2.995,1122 3.147,1123 3.207,1124 3.084,1125 2.909,1126 4.145,1127 2.923,1128 2.964,1129 3.018,1130 2.985,1131 2.846,1132 3.766,1133 2.835,1134 2.86,1135 2.915,1136 2.826,1137 2.782,1138 3.677,1139 2.752,1140 0.173,1141 0.133,1142 0.258,1143 0.158,1144 0.123,1145 4.842,1146 0.171,1147 3.714,1148 0.035,1149 7.229,1150 0.458,1151 4.411,1152 0.119,1153 3.439,1154 4.791,1155 0.98,1156 12.827,1157 3.343,1158 1.957,1159 1.936,1160 2.041,1161 2.054,1162 1.223,1163 2.052,1164 1.899,1165 1.878,1166 1.972,1167 1.983,1168 1.142,1169 1.983,1170 1.719,1171 1.684,1172 1.817,1173 1.9,1174 0.928,1175 1.878,1176 1.33,1177 1.269,1178 1.591,1179 1.559,1180 0.701,1181 1.572,1182 1.193,1183 1.123,1184 1.536,1185 1.481,1186 0.571,1187 1.505,1188 1.087,1189 1.023,1190 1.35,1191 1.36,1192 0.461,1193 1.361,1194 0.927,1195 0.881,1196 1.137,1197 1.11,1198 0.185,1199 1.129,1200 0.855,1201 0.817,1202 1.086,1203 0.999,1204 0.146,1205 1.033,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.949,1212 8.62,1213 7.261,1214 10.336,1215 3.524,1216 3.561,1222 0.575,1223 2.604,1224 5.314,1231 28.207,1232 68.194,1233 156.357,1234 188.498,1235 208.15,1236 208.15,1237 208.15,1238 35.26,1239 7.657,1240 59.91,1241 59.91,1242 23,1243 12.816,1244 4.248,1245 3.459,1246 35.587,1247 75,1248 90,1249 0.234,1250 177.394,1251 301.22,1252 424.601,1253 20554,1254 2.4,1255 17.552,1256 0.702,1257 0.617,1258 18.552,1259 15.423,1260 12.08,1261 0.431,1262 0.31,1263 7.816,1264 11.061,1265 7.517,1266 6.23,1267 12.657,1268 8.672,1269 11.139,1270 0.272,1271 0.168,1272 11.956,1273 6.877,1274 9.666,1275 0.167,1276 0.084,1277 10.191,1278 4.896,1279 8.496,1280 0.101,1281 0.043,1282 8.935,1283 3.651,1284 7.568,1285 0.065,1286 0.024,1287 8.092,1288 2.746,1289 0.35,1290 83.988,1291 0.232,1292 23.479,1293 0.7,1294 138,1295 403.749,1296 215.153,1297 427.662,1298 581.66,1299 400,1300 168,1301 409.888,1302 208.63,1303 429.746,1304 632.1,1305 403,1306 5} {0 CHEMBL2088666,1 1.8,2 9.462,3 3.308,4 10.944,5 93.513,6 9.035,7 0.552,8 3.819,9 3.919,10 3.541,11 3.377,12 5.121,13 3.399,14 4.314,15 4.441,16 3.941,17 3.782,18 5.725,19 3.801,20 4.545,21 4.694,22 4.037,23 3.921,24 5.873,25 3.926,26 4.654,27 4.828,28 3.995,29 3.933,30 5.916,31 3.923,32 4.633,33 4.822,34 3.905,35 3.888,36 5.883,37 3.858,38 4.576,39 4.761,40 3.854,41 3.811,42 5.901,43 3.785,44 4.538,45 4.753,46 3.634,47 3.62,48 5.978,49 3.575,50 4.193,51 4.412,52 3.359,53 3.303,54 5.459,55 3.274,56 0.209,57 0.676,58 4.985,59 3.196,60 13.833,61 3.368,62 0.391,63 1.074,64 10.05,65 5.387,66 54.618,67 5.9,68 0.537,69 1.329,70 13.907,71 6.808,72 59.183,73 7.239,74 0.62,75 1.365,76 17.734,77 7.673,78 78.897,79 8.345,80 0.66,81 1.319,82 19.147,83 7.894,84 87.79,85 9.055,86 0.62,87 1.29,88 17.462,89 7.489,90 85.558,91 8.427,92 0.962,93 1.213,94 20.8,95 7.315,96 140.402,97 8.204,98 0.429,99 0.826,100 13.878,101 5.151,102 57.528,103 6.247,104 27,105 43,106 0.313,107 0.683,108 0.774,109 0.844,110 0.844,111 0.844,112 3.305,113 0.813,114 -4.38,115 -4.31,116 -4.07,119 46.2,120 1,124 1,133 7,134 3,135 2,143 2,146 1,147 1,155 2,157 1,159 7,161 1,162 8,164 1,168 8,171 2,172 12,174 1,176 2,178 6,181 1,182 10,187 1,190 5,194 7,199 3,202 9,205 1,206 5,211 3,213 12,216 2,217 4,222 2,224 6,229 5,237 2,241 1,242 8,245 1,255 1008,256 17.292,257 17.292,258 17.292,259 17.292,260 17.292,261 14.696,262 21.726,263 9.85,264 17.553,265 14.283,266 14.283,267 14.283,268 14.283,269 14.283,270 10.324,271 27.371,272 4.659,273 14.696,274 3.485,275 1.357,276 0.831,277 0.43,278 0.43,279 0.43,280 3.999,283 1,284 1,285 534,286 3,288 42.514,289 175.116,291 159.956,295 1.308,296 39.584,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 58.5,307 246,308 4.842,309 3.778,310 7.229,311 4.411,312 3.438,313 4.791,314 2.612,315 12.827,316 3.346,317 4.255,318 3.714,319 6.05,320 3.764,321 2.787,322 3.952,323 0.98,324 8.49,325 2.721,326 4.007,327 3.213,328 6.005,329 3.584,330 2.603,331 3.514,332 0.782,333 8.379,334 2.551,335 3.868,336 2.892,337 5.923,338 3.459,339 2.495,340 3.305,341 0.522,342 8.151,343 2.403,344 3.673,345 2.855,346 5.311,347 3.221,348 2.234,349 3.087,351 6.7,352 2.198,353 3.514,354 2.569,355 5.056,356 3.082,357 2.13,358 2.815,360 5.949,361 2,362 3.117,363 2.035,364 4.737,365 2.581,366 1.609,367 2.313,369 4.659,370 1.561,371 2.968,372 1.788,373 4.583,374 2.479,375 1.509,376 2.087,378 4.361,379 1.452,380 2.85,381 1.764,382 3.848,383 2.242,384 1.246,385 1.92,386 2.985,387 1.24,388 2.5,389 1.04,390 3.718,391 2,392 1,393 1.5,394 2.427,395 1,396 2.343,397 1,398 3.414,399 1.903,400 0.923,401 1.267,402 2.275,403 0.901,404 1.479,405 1,406 3.068,407 1.201,408 0.163,409 0.194,411 0.358,412 0.167,413 1.373,414 0.952,415 2.772,416 1.032,417 0.059,418 0.075,420 0.155,421 0.057,422 1.028,423 0.431,424 2.676,425 0.609,426 -0.305,427 -0.383,429 -0.781,430 -0.27,431 1,432 0.187,433 2.425,434 0.455,435 -0.532,436 -0.696,438 -1.41,439 -0.522,440 11.886,441 0.457,442 0.806,443 0.031,444 37,445 1.423,446 20,447 0.769,448 17,449 0.654,450 18.411,451 0.708,452 27.114,453 0.695,454 29.11,455 1.12,456 7.57,457 0.291,458 4.883,459 0.188,460 0.15,462 0.446,464 1,466 0.439,467 0.925,468 0.58,469 0.869,470 0.489,471 0.804,472 0.552,473 1.053,474 0.633,475 0.939,476 0.441,477 0.843,478 0.805,479 1.058,480 0.925,481 1.042,482 0.721,483 1.026,484 0.907,485 0.974,486 1.044,487 1.071,488 0.814,489 1.089,490 0.841,491 0.88,492 1.004,493 1.007,494 0.823,495 1.051,496 0.885,497 1.001,498 1.053,499 1.128,500 0.876,501 1.152,502 1.173,503 0.974,504 1.265,505 0.946,506 1.229,507 1.094,508 0.937,509 1.13,510 0.998,511 1.142,512 0.892,513 1.105,514 5.5,515 0.128,516 3.333,517 2.674,518 2.045,519 1.285,520 0.593,521 0.35,522 0.326,523 0.255,524 7211,525 27129,526 2.078,527 33.3,529 9,532 1,533 3,536 1.696,537 1.902,538 3.164,539 -0.256,540 1,541 1,543 1,545 70.211,546 1.8,547 3.929,548 4.454,549 4.856,550 4.856,551 4.856,552 2.632,553 4.21,554 4.668,555 3.346,556 1087.39,557 8.118,558 12956.4,559 1,560 1,561 1,562 1,563 206.131,564 1.513,565 4.611,566 0.19,567 0.009,568 0.078,569 0.058,570 0.048,571 0.033,572 0.016,573 0.013,574 0.016,575 0.014,576 0.474,577 0.33,578 1,579 0.819,580 124.491,581 0.128,582 0.074,583 0.046,584 0.074,585 -0.011,586 0.031,587 0.091,588 -0.09,589 0.106,590 0.023,591 0.143,592 0.059,593 -0.043,594 -0.038,595 -0.112,596 -0.082,597 -0.024,598 -0.11,599 -0.13,600 -0.071,601 -0.138,602 -0.109,603 -0.069,604 -0.116,605 -0.06,606 -0.014,607 -0.037,608 -0.014,609 -0.055,610 -0.016,611 -0.046,612 -0.074,613 -0.086,614 -0.135,615 -0.056,616 -0.133,617 -0.011,618 0.122,619 -0.128,620 0.08,621 -0.079,622 -0.03,623 -0.065,624 -0.23,625 0.093,626 -0.142,627 -0.059,628 -0.013,629 2.466,630 5.774,631 0.731,632 21.077,633 1.034,634 1.129,635 3.149,636 9.919,637 0.696,638 3.401,639 3.784,640 4.111,641 4.454,642 4.779,643 4.934,644 5.075,645 5.247,646 5.308,647 5.318,648 5.612,649 0.699,650 352.35,651 3.401,652 4.977,653 5.861,654 6.779,655 7.691,656 8.619,657 9.543,658 10.477,659 11.408,660 12.346,661 10.3,668 1,669 1,670 1,672 1,674 2,675 7,680 5,681 1,682 16,694 1,698 1,699 39,700 20,701 2,702 29,704 42,705 18,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 2,724 4,726 1,728 3,730 1,731 2,732 1,733 1,734 1,736 13,737 6,738 1,739 8,743 4,747 0.5,748 3,756 1,759 1,760 3,762 2,777 2,781 1,783 1,785 26,789 1,790 1,800 1,801 7.7,804 1,807 2,808 13.667,809 7.576,810 5.556,811 2.244,812 3.701,813 1.478,814 1.025,815 3.818,816 11.442,817 3.738,818 4.428,819 5.063,820 5.737,821 6.363,822 6.795,823 7.22,824 7.678,825 7.986,826 8.291,827 1,828 46,829 9.626,831 4.322,832 8.231,833 17.556,835 14.686,837 2.731,838 71,842 141.253,843 110.449,844 42.12,846 75.892,847 14.96,849 110.449,850 217.145,851 57.08,852 14.495,853 19.994,854 66.334,855 32.606,856 39.384,857 19.861,858 141.253,859 50.747,860 141.253,861 152.569,862 90.852,865 156.213,866 25.145,867 50.747,869 47.381,870 99.518,871 5.67,873 156.213,874 118.012,875 110.449,878 141.253,879 35.29,880 82.728,881 17.888,882 107.515,883 141.253,884 132.972,885 110.449,887 0.598,888 0.354,889 0.196,890 0.119,891 23,892 11,893 0.071,894 3,895 2,896 1.211,897 3.634,898 235.529,899 0.211,900 19,901 116.211,904 16.431,905 6.042,906 2.703,907 1.305,908 125.403,909 10.459,914 1.386,915 1.777,916 17.888,917 384.674,918 41,920 -0.466,922 34.029,924 3.99,925 0.224,926 40.32,927 44.037,928 0.341,929 0.743,930 0.843,931 0.919,932 0.919,933 0.919,934 4.997,935 1.509,936 5.883,937 4.659,938 4.466,939 5.115,940 2.766,941 6.77,942 4.412,943 6.258,944 1.246,945 7.491,946 4.361,947 4.205,948 5.139,949 2.361,950 7.825,951 4.112,952 7.608,953 1,954 9.198,955 2.985,956 6.129,957 7.435,958 4.197,959 10.987,960 6.021,961 8.994,962 0.923,963 10.964,964 2.427,965 6.661,966 8.265,967 4.506,968 12.916,969 6.517,970 10.411,971 0.163,972 12.769,973 2.275,974 8.108,975 10.079,976 5.954,977 15.641,978 7.947,979 11.851,980 0.059,981 14.603,982 0.358,983 9.009,984 11.291,985 6.556,986 17.951,987 8.816,988 13.312,989 -0.305,990 16.461,991 0.155,992 10.288,993 12.928,994 7.795,995 20.546,996 10.074,997 3.438,998 -0.532,999 18.337,1000 -0.781,1001 11.364,1002 14.325,1003 8.548,1004 23.009,1005 11.119,1006 2.787,1007 12.827,1008 20.228,1009 -1.41,1010 12.59,1011 15.901,1012 9.67,1013 25.569,1014 12.322,1015 2.603,1016 8.49,1017 22.133,1018 4.791,1019 13.748,1020 17.384,1021 10.509,1022 28.088,1023 13.45,1024 2.495,1025 8.379,1026 24.05,1027 3.952,1028 14.963,1029 18.942,1030 11.563,1031 30.64,1032 14.64,1033 2.234,1034 8.151,1035 25.976,1036 3.514,1037 16.159,1038 20.467,1039 12.452,1040 33.18,1041 15.807,1042 2.13,1043 6.7,1044 27.911,1045 3.305,1046 17.377,1047 22.022,1048 13.468,1049 35.731,1050 16.998,1051 1.609,1052 5.949,1053 29.853,1054 3.087,1055 18.59,1056 23.566,1057 14.386,1058 38.278,1059 18.184,1060 6978,1061 13645,1062 19.016,1063 27.131,1064 44.9,1065 47.086,1066 46.71,1067 44.548,1068 44.393,1069 61.635,1070 9.792,1071 135.435,1072 43.195,1073 5.682,1074 5.778,1075 6.643,1076 5.447,1077 5.438,1078 7.791,1079 4.612,1080 20.355,1081 5.346,1082 14.561,1083 1.548,1084 1.624,1085 1.611,1086 1.536,1087 1.531,1088 2.125,1089 0.338,1090 4.67,1091 1.489,1092 4.187,1093 4.216,1094 4.165,1095 4.091,1096 8.201,1097 4.105,1098 3.968,1099 3.993,1100 3.932,1101 3.853,1102 7.815,1103 3.859,1104 3.65,1105 3.696,1106 3.606,1107 3.489,1108 7.429,1109 3.509,1110 3.542,1111 3.577,1112 3.502,1113 3.229,1114 6.999,1115 3.273,1116 3.306,1117 3.361,1118 3.227,1119 3.029,1120 4.911,1121 3.075,1122 3.139,1123 3.194,1124 3.068,1125 2.832,1126 4.679,1127 2.892,1128 2.928,1129 2.986,1130 2.797,1131 2.788,1132 4.565,1133 2.786,1134 2.854,1135 2.925,1136 2.689,1137 2.735,1138 4.002,1139 2.715,1140 0.167,1141 0.13,1142 0.249,1143 0.152,1144 0.119,1145 4.842,1146 0.165,1147 3.778,1148 0.09,1149 7.229,1150 0.442,1151 4.411,1152 0.115,1153 3.438,1154 4.791,1155 2.612,1156 12.827,1157 3.346,1158 1.964,1159 1.938,1160 2.056,1161 2.104,1162 1.222,1163 2.08,1164 1.912,1165 1.891,1166 1.99,1167 2.013,1168 1.136,1169 2.003,1170 1.728,1171 1.691,1172 1.821,1173 1.946,1174 0.934,1175 1.9,1176 1.362,1177 1.308,1178 1.571,1179 1.693,1180 0.698,1181 1.628,1182 1.181,1183 1.135,1184 1.375,1185 1.489,1186 0.466,1187 1.473,1188 0.982,1189 0.93,1190 1.181,1191 1.336,1192 0.218,1193 1.305,1194 0.926,1195 0.879,1196 1.139,1197 1.1,1198 0.166,1199 1.121,1200 0.886,1201 0.821,1202 1.118,1203 1.062,1204 0.106,1205 1.107,1206 4.078,1208 5.442,1209 2.398,1210 7.006,1211 4.949,1212 8.664,1213 7.261,1214 10.376,1216 1.749,1218 13.774,1222 0.316,1223 2.459,1231 27.247,1232 70.211,1233 153.218,1234 173.724,1235 189.376,1236 189.376,1237 189.376,1238 54.734,1239 7.741,1240 96.5,1241 96.5,1242 23,1243 12.844,1244 4.392,1245 3.7,1246 37.857,1247 84,1248 100,1249 0.22,1250 164.949,1251 287.86,1252 394.236,1253 22931,1254 2.6,1255 18.422,1256 0.709,1257 0.527,1258 17.552,1259 13.693,1260 12.452,1261 0.429,1262 0.271,1263 7.716,1264 11.797,1265 7.559,1266 6.229,1267 12.059,1268 7.855,1269 11.857,1270 0.276,1271 0.14,1272 11.223,1273 6.033,1274 10.032,1275 0.167,1276 0.074,1277 9.689,1278 4.415,1279 8.6,1280 0.101,1281 0.038,1282 8.375,1283 3.243,1284 7.62,1285 0.065,1286 0.02,1287 7.369,1288 2.375,1289 0.335,1290 79.502,1291 0.229,1292 24.503,1293 0.64,1294 144,1295 546.586,1296 162.411,1297 499.444,1298 663.86,1299 460,1300 175,1301 490.307,1302 193.438,1303 483.084,1304 706.36,1305 453,1306 5} {0 CHEMBL2088667,1 1.8,2 8.731,3 3.308,4 10.944,5 93.513,6 9.035,7 0.552,8 3.819,9 3.919,10 3.541,11 3.377,12 5.121,13 3.399,14 4.314,15 4.441,16 3.941,17 3.782,18 5.725,19 3.801,20 4.545,21 4.694,22 4.037,23 3.921,24 5.871,25 3.926,26 4.654,27 4.827,28 4.013,29 3.936,30 5.902,31 3.93,32 4.641,33 4.821,34 3.962,35 3.903,36 5.925,37 3.886,38 4.653,39 4.838,40 3.893,41 3.829,42 6.022,43 3.81,44 4.512,45 4.718,46 3.733,47 3.648,48 5.955,49 3.63,50 4.277,51 4.472,52 3.578,53 3.372,54 5.696,55 3.389,56 0.209,57 0.676,58 4.985,59 3.196,60 13.833,61 3.368,62 0.391,63 1.074,64 10.05,65 5.387,66 54.729,67 5.9,68 0.537,69 1.329,70 13.907,71 6.808,72 58.572,73 7.239,74 0.618,75 1.369,76 17.841,77 7.676,78 83.947,79 8.396,80 0.638,81 1.349,82 18.108,83 7.715,84 76.256,85 8.651,86 0.828,87 1.328,88 20.299,89 7.854,90 115.963,91 8.585,92 0.822,93 1.225,94 19.219,95 7.122,96 127.187,97 7.967,98 0.485,99 0.883,100 14.094,101 5.365,102 57.484,103 6.187,104 27,105 43,106 0.313,107 0.683,108 0.792,109 0.879,110 0.879,111 0.879,112 3.306,113 0.813,114 -4.38,115 -4.31,116 -4.07,119 46.2,120 1,124 1,133 7,134 3,135 2,143 2,146 1,147 1,155 2,157 1,159 7,161 1,162 8,164 1,168 8,171 2,172 12,174 1,176 2,178 6,181 1,182 9,187 1,190 5,193 1,194 8,199 3,202 9,205 2,206 5,211 3,213 9,217 6,222 1,224 7,228 1,229 10,232 1,234 1,237 3,241 3,242 6,245 2,250 1,255 984,256 17.292,257 17.292,258 17.292,259 17.292,260 17.292,261 14.696,262 21.726,263 9.891,264 17.553,265 14.3,266 14.3,267 14.3,268 14.3,269 14.3,270 10.33,271 29.288,272 4.686,273 14.711,274 3.485,275 1.357,276 0.728,277 0.224,278 0.224,279 0.224,280 3.999,283 1,284 1,285 491,286 3,288 40.629,289 172.022,291 154.192,295 1.157,296 40.435,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 58.5,307 227,308 4.842,309 3.781,310 7.229,311 4.411,312 3.439,313 4.791,314 2.612,315 12.827,316 3.346,317 4.277,318 3.714,319 6.054,320 3.797,321 2.819,322 3.976,323 0.98,324 8.609,325 2.755,326 4.007,327 3.213,328 6.02,329 3.584,330 2.602,331 3.514,332 0.782,333 8.444,334 2.551,335 3.845,336 2.893,337 5.946,338 3.426,339 2.466,340 3.266,341 0.522,342 8.173,343 2.364,344 3.649,345 2.856,346 5.264,347 3.186,348 2.197,349 3.065,351 6.49,352 2.165,353 3.513,354 2.575,355 5.05,356 3.075,357 2.123,358 2.815,360 5.937,361 1.995,362 3.118,363 2.008,364 4.735,365 2.584,366 1.611,367 2.314,369 4.651,370 1.564,371 2.964,372 1.773,373 4.583,374 2.489,375 1.517,376 2.098,378 4.359,379 1.464,380 2.838,381 1.729,382 3.845,383 2.312,384 1.318,385 1.915,386 3.057,387 1.308,388 2.587,389 1.192,390 3.706,391 2,392 1,393 1.585,394 2.424,395 1,396 2.337,397 1.03,398 3.436,399 1.9,400 0.921,401 1.26,402 2.322,403 0.899,404 1.475,405 1,406 3.067,407 1.201,408 0.162,409 0.193,411 0.357,412 0.167,413 1.3,414 0.933,415 2.772,416 0.971,422 1.024,423 0.369,424 2.68,425 0.608,426 -0.309,427 -0.388,429 -0.812,430 -0.275,431 1,432 0.129,433 2.43,434 0.368,435 -0.623,436 -0.823,438 -1.61,439 -0.614,440 11.886,441 0.457,442 0.806,443 0.031,444 37,445 1.423,446 20,447 0.769,448 17,449 0.654,450 18.526,451 0.713,452 27.114,453 0.695,454 29.385,455 1.13,456 7.57,457 0.291,458 4.883,459 0.188,460 0.15,462 0.446,464 1,466 0.439,467 0.925,468 0.58,469 0.869,470 0.489,471 0.804,472 0.552,473 1.053,474 0.633,475 0.939,476 0.44,477 0.843,478 0.805,479 1.058,480 0.925,481 1.042,482 0.723,483 1.026,484 0.899,485 0.984,486 1.003,487 1.053,488 0.82,489 1.055,490 0.838,491 0.897,492 1.01,493 1.062,494 0.799,495 1.085,496 1.055,497 0.94,498 1.122,499 0.997,500 1.137,501 1.074,502 1.138,503 1.078,504 1.115,505 1.01,506 1.119,507 1.041,508 1.01,509 1.122,510 0.93,511 1.2,512 1.042,513 1.081,514 5.5,515 0.095,516 3.111,517 2.799,518 2.045,519 1.174,520 0.555,521 0.462,522 0.399,523 0.186,524 6971,525 25905,526 2.078,527 33.3,529 9,532 1,533 3,536 1.698,537 1.902,538 3.104,539 -0.256,540 1,541 1,543 1,545 70.211,546 1.8,547 3.929,548 4.557,549 5.061,550 5.061,551 5.061,552 2.459,553 4.239,554 4.672,555 3.243,556 1054.13,557 8.137,558 12571.6,559 1,560 1,561 1,562 1,563 206.131,564 1.513,565 4.611,566 0.19,567 0.012,568 0.072,569 0.061,570 0.046,571 0.029,572 0.015,573 0.015,574 0.015,575 0.01,576 0.465,577 0.33,578 1,579 0.819,580 123.708,581 0.128,582 0.074,583 0.046,584 0.074,585 -0.011,586 0.031,587 0.091,588 -0.09,589 0.106,590 0.023,591 0.144,592 0.059,593 -0.043,594 -0.038,595 -0.112,596 -0.082,597 -0.026,598 -0.11,599 -0.122,600 -0.081,601 -0.096,602 -0.091,603 -0.074,604 -0.081,605 -0.054,606 -0.008,607 -0.076,608 -0.089,609 -0.041,610 -0.088,611 -0.088,612 -0.048,613 -0.106,614 -0.011,615 -0.138,616 -0.062,617 -0.026,618 0.048,619 -0.023,620 0.015,621 -0.036,622 0.008,623 -0.025,624 -0.22,625 0.128,626 -0.225,627 -0.051,628 -0.055,629 2.467,630 5.784,631 0.731,632 19.692,633 1.034,634 1.129,635 3.149,636 9.919,637 0.696,638 3.401,639 3.784,640 4.111,641 4.466,642 4.787,643 4.927,644 5.094,645 5.263,646 5.313,647 5.308,648 5.366,649 0.699,650 352.35,651 3.401,652 4.977,653 5.861,654 6.781,655 7.694,656 8.623,657 9.548,658 10.483,659 11.415,660 12.353,661 10.3,668 1,669 1,670 1,672 1,674 2,675 7,680 5,681 1,682 16,694 1,698 1,699 39,700 20,701 2,702 29,704 42,705 18,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 2,724 4,726 1,728 3,730 1,731 2,732 1,733 1,734 1,736 13,737 6,738 1,739 8,743 4,747 0.5,748 3,756 1,759 1,760 3,762 2,777 2,781 1,783 1,785 26,789 1,790 1,800 1,801 7.7,804 1,807 2,808 13.667,809 7.576,810 5.556,811 2.244,812 3.734,813 1.482,814 1.025,815 3.818,816 11.475,817 3.738,818 4.428,819 5.063,820 5.744,821 6.371,822 6.78,823 7.237,824 7.686,825 7.989,826 8.278,827 0.833,828 46,829 9.637,831 4.337,832 8.231,833 17.556,835 14.686,837 2.731,838 71,842 141.253,843 110.449,844 42.12,846 75.892,847 14.96,849 110.449,850 217.145,851 57.08,852 14.495,853 19.994,854 66.334,855 32.606,856 39.384,857 19.861,858 141.253,859 50.747,860 141.253,861 152.569,862 90.852,865 156.213,866 25.145,867 50.747,869 47.381,870 99.518,871 5.67,873 156.213,874 118.012,875 110.449,878 141.253,879 35.29,880 82.728,881 17.888,882 107.515,883 141.253,884 132.972,885 110.449,887 0.597,888 0.354,889 0.199,890 0.123,891 23,892 11,893 0.071,894 3,895 2,896 1.211,897 3.602,898 237.456,899 0.211,900 19,901 118.211,904 16.431,905 6.042,906 2.703,907 1.246,908 125.403,909 10.502,914 1.169,915 1.733,916 17.888,917 384.674,918 41,920 -0.467,922 34.452,924 3.982,925 0.181,926 40.32,927 44.037,928 0.341,929 0.743,930 0.862,931 0.958,932 0.958,933 0.958,934 4.997,935 1.517,936 5.883,937 4.651,938 4.466,939 5.115,940 2.766,941 6.772,942 4.412,943 6.258,944 1.318,945 7.491,946 4.359,947 4.205,948 5.139,949 2.361,950 7.825,951 4.112,952 7.608,953 1,954 9.198,955 3.057,956 6.129,957 7.435,958 4.197,959 10.994,960 6.021,961 8.994,962 0.921,963 10.965,964 2.424,965 6.661,966 8.265,967 4.506,968 12.921,969 6.517,970 10.411,971 0.162,972 12.771,973 2.322,974 8.11,975 10.08,976 5.954,977 15.649,978 7.949,979 11.852,981 14.606,982 0.357,983 9.012,984 11.293,985 6.556,986 17.957,987 8.82,988 13.313,989 -0.309,990 16.464,992 10.292,993 12.932,994 7.795,995 20.552,996 10.079,997 3.439,998 -0.623,999 18.34,1000 -0.812,1001 11.37,1002 14.329,1003 8.548,1004 23.013,1005 11.126,1006 2.819,1007 12.827,1008 20.232,1009 -1.61,1010 12.597,1011 15.905,1012 9.67,1013 25.573,1014 12.329,1015 2.602,1016 8.609,1017 22.138,1018 4.791,1019 13.755,1020 17.389,1021 10.509,1022 28.091,1023 13.458,1024 2.466,1025 8.444,1026 24.054,1027 3.976,1028 14.971,1029 18.947,1030 11.563,1031 30.642,1032 14.648,1033 2.197,1034 8.173,1035 25.981,1036 3.514,1037 16.166,1038 20.472,1039 12.452,1040 33.182,1041 15.815,1042 2.123,1043 6.49,1044 27.915,1045 3.266,1046 17.384,1047 22.027,1048 13.468,1049 35.732,1050 17.006,1051 1.611,1052 5.937,1053 29.857,1054 3.065,1055 18.597,1056 23.57,1057 14.386,1058 38.279,1059 18.191,1060 6756,1061 13135,1062 19.016,1063 27.131,1064 44.975,1065 47.198,1066 46.696,1067 44.509,1068 44.352,1069 61.586,1070 9.792,1071 135.3,1072 43.155,1073 5.682,1074 5.781,1075 6.776,1076 5.448,1077 5.439,1078 7.791,1079 4.612,1080 20.355,1081 5.346,1082 14.394,1083 1.551,1084 1.628,1085 1.61,1086 1.535,1087 1.529,1088 2.124,1089 0.338,1090 4.666,1091 1.488,1092 4.187,1093 4.217,1094 4.165,1095 4.091,1096 8.201,1097 4.105,1098 3.968,1099 3.993,1100 3.932,1101 3.854,1102 7.815,1103 3.86,1104 3.65,1105 3.696,1106 3.606,1107 3.489,1108 7.429,1109 3.509,1110 3.526,1111 3.56,1112 3.487,1113 3.209,1114 6.999,1115 3.247,1116 3.327,1117 3.384,1118 3.244,1119 3.031,1120 4.911,1121 3.093,1122 3.153,1123 3.21,1124 3.07,1125 2.899,1126 4.68,1127 2.925,1128 2.965,1129 3.022,1130 2.846,1131 2.812,1132 4.566,1133 2.825,1134 2.869,1135 2.93,1136 2.747,1137 2.735,1138 4.011,1139 2.733,1140 0.167,1141 0.13,1142 0.249,1143 0.152,1144 0.119,1145 4.842,1146 0.165,1147 3.781,1148 0.09,1149 7.229,1150 0.442,1151 4.411,1152 0.115,1153 3.439,1154 4.791,1155 2.612,1156 12.827,1157 3.346,1158 1.965,1159 1.939,1160 2.056,1161 2.106,1162 1.223,1163 2.081,1164 1.913,1165 1.892,1166 1.99,1167 2.012,1168 1.136,1169 2.002,1170 1.726,1171 1.689,1172 1.821,1173 1.943,1174 0.934,1175 1.897,1176 1.347,1177 1.289,1178 1.57,1179 1.686,1180 0.696,1181 1.615,1182 1.186,1183 1.145,1184 1.368,1185 1.506,1186 0.465,1187 1.49,1188 1.067,1189 1.01,1190 1.262,1191 1.36,1192 0.213,1193 1.351,1194 0.926,1195 0.879,1196 1.139,1197 1.11,1198 0.167,1199 1.129,1200 0.843,1201 0.796,1202 1.014,1203 1.028,1204 0.108,1205 1.027,1206 4.078,1208 5.442,1209 2.398,1210 7.006,1211 4.949,1212 8.665,1213 7.261,1214 10.379,1216 1.736,1218 13.784,1222 0.236,1223 2.446,1231 27.247,1232 70.211,1233 153.218,1234 177.724,1235 197.376,1236 197.376,1237 197.376,1238 55.865,1239 7.741,1240 96.5,1241 96.5,1242 23,1243 12.851,1244 4.392,1245 3.7,1246 37.719,1247 81,1248 86,1249 0.229,1250 164.949,1251 287.86,1252 394.236,1253 22931,1254 2.6,1255 18.422,1256 0.709,1257 0.527,1258 17.552,1259 13.693,1260 12.452,1261 0.429,1262 0.271,1263 7.716,1264 11.797,1265 7.559,1266 6.23,1267 12.059,1268 7.855,1269 11.869,1270 0.276,1271 0.14,1272 11.235,1273 6.036,1274 9.964,1275 0.166,1276 0.073,1277 9.621,1278 4.39,1279 8.661,1280 0.101,1281 0.038,1282 8.436,1283 3.288,1284 7.765,1285 0.065,1286 0.02,1287 7.514,1288 2.382,1289 0.344,1290 79.502,1291 0.229,1292 24.309,1293 0.677,1294 144,1295 546.586,1296 162.411,1297 499.509,1298 663.88,1299 460,1300 175,1301 490.307,1302 193.438,1303 483.219,1304 706.61,1305 453,1306 5} {0 CHEMBL2088668,1 1.647,2 9.36,3 3.293,4 10.841,5 91.926,6 8.746,7 0.571,8 3.772,9 3.876,10 3.478,11 3.392,12 5.046,13 3.396,14 4.265,15 4.403,16 3.869,17 3.788,18 5.505,19 3.785,20 4.506,21 4.661,22 3.976,23 3.93,24 5.788,25 3.911,26 4.592,27 4.779,28 3.929,29 3.931,30 5.783,31 3.896,32 4.588,33 4.788,34 3.866,35 3.885,36 5.8,37 3.842,38 4.556,39 4.742,40 3.817,41 3.816,42 5.873,43 3.777,44 4.484,45 4.711,46 3.57,47 3.63,48 5.898,49 3.564,50 4.136,51 4.37,52 3.223,53 3.337,54 5.356,55 3.259,56 0.081,57 0.635,58 5.089,59 3.053,60 9.405,61 3.345,62 0.182,63 1.022,64 10.13,65 5.148,66 18.142,67 5.914,68 0.357,69 1.294,70 14.118,71 6.676,72 43.277,73 7.449,74 0.321,75 1.351,76 16.9,77 7.323,78 46.063,79 8.522,80 0.394,81 1.317,82 18.503,83 7.593,84 51.268,85 9.046,86 0.405,87 1.279,88 17.65,89 7.538,90 64.269,91 8.547,92 0.667,93 1.244,94 19.731,95 7.333,96 109.642,97 8.336,98 0.259,99 0.819,100 13.498,101 5.289,102 38.964,103 6.535,104 18,105 41,106 0.288,107 0.682,108 0.777,109 0.848,110 0.848,111 0.848,112 3.269,113 0.829,114 -3.97,115 -3.92,116 -3.72,119 50,120 1,124 1,133 7,134 4,135 1,143 2,146 1,147 2,157 1,159 9,162 7,164 1,168 10,171 2,172 8,174 1,176 2,178 7,181 1,182 7,187 1,190 5,194 7,199 3,202 9,206 5,211 3,213 12,216 1,217 4,222 2,224 9,229 3,234 1,237 4,242 4,250 1,255 899,256 16.955,257 16.955,258 16.955,259 16.955,260 16.955,261 14.572,262 20.097,263 9.714,264 17.169,265 13.743,266 13.743,267 13.743,268 13.743,269 13.743,270 9.993,271 24.571,272 4.539,273 14.096,274 3.6,275 1.34,276 0.8,277 0.388,278 0.388,279 0.388,280 3.964,283 1,284 1,285 511,286 2.646,288 39.386,289 164.346,291 149.249,295 1.254,296 30.259,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.5,307 234,308 4.842,309 4.057,310 7.229,311 4.411,312 3.438,313 4.79,314 2.035,315 12.827,316 3.346,317 4.106,318 3.714,319 6.049,320 3.661,321 2.67,322 3.694,323 0.98,324 8.482,325 2.649,326 4.007,327 3.213,328 6.002,329 3.582,330 2.6,331 3.513,332 0.782,333 8.343,334 2.55,335 3.82,336 2.898,337 5.472,338 3.381,339 2.415,340 3.193,341 0.522,342 7.236,343 2.33,344 3.606,345 2.859,346 5.159,347 3.146,348 2.161,349 2.842,351 6.283,352 2.126,353 3.511,354 2.61,355 5.029,356 3.054,357 2.092,358 2.814,360 5.924,361 1.983,362 3.114,363 2.289,364 4.73,365 2.574,366 1.6,367 2.303,369 4.641,370 1.555,371 2.974,372 1.845,373 4.582,374 2.461,375 1.491,376 1.972,378 4.354,379 1.432,380 2.861,381 1.769,382 3.787,383 2,384 1,385 1.5,386 2.505,387 1,388 2.5,389 1.046,390 3.414,391 1.934,392 0.955,393 1.309,394 2.275,395 0.932,396 2.345,397 1,398 3.121,399 1.523,400 0.568,401 1.044,402 0.965,403 0.54,404 1.481,405 0.963,406 2.799,407 1.201,408 0.162,409 0.193,411 0.356,412 0.167,413 1.397,414 0.521,415 2.758,416 0.96,422 1.03,423 0.243,424 2.578,425 0.608,426 -0.307,427 -0.386,429 -0.778,430 -0.272,431 0.898,432 -0.012,433 2.394,434 0.424,435 -0.557,436 -0.782,438 -1.321,439 -0.543,440 11.719,441 0.469,442 0.678,443 0.027,444 36,445 1.44,446 20,447 0.8,448 16,449 0.64,450 17.711,451 0.708,452 24.881,453 0.655,454 26.789,455 1.072,456 7.258,457 0.29,458 4.821,459 0.193,460 0.13,462 0.418,464 1,466 0.559,467 0.912,468 0.618,469 0.869,470 0.479,471 0.785,472 0.631,473 0.984,474 0.673,475 0.891,476 0.488,477 0.813,478 0.878,479 1.019,480 0.962,481 1.015,482 0.822,483 1.014,484 0.862,485 0.985,486 1.025,487 1.082,488 0.785,489 1.082,490 0.876,491 0.861,492 0.99,493 0.994,494 0.844,495 1.011,496 1.109,497 1.029,498 1.093,499 1.145,500 1.085,501 1.137,502 1.364,503 0.926,504 1.267,505 0.949,506 1.377,507 1.057,508 0.999,509 0.98,510 1.06,511 1.026,512 0.972,513 1.056,514 5,515 0.087,516 2.889,517 2.424,518 2.005,519 1.167,520 0.593,521 0.35,522 0.301,523 0.15,524 6444,525 21424,526 2.105,527 34.2,529 9,532 1,533 3,536 1.686,537 1.948,538 3.13,539 -0.317,540 1,541 1,543 1,545 62.605,546 1.647,547 3.908,548 4.448,549 4.86,550 4.86,551 4.86,552 2.603,553 4.214,554 4.61,555 3.276,556 982.805,557 8.01,558 11310.7,559 1,560 1,561 1,562 1,563 199.421,564 1.473,565 4.565,566 0.179,567 0.01,568 0.07,569 0.055,570 0.049,571 0.031,572 0.017,573 0.013,574 0.016,575 0.011,576 0.45,577 0.5,578 1,579 0.795,580 117.607,581 0.007,582 0.017,583 0.035,584 0.023,585 -0.005,586 0.031,587 0.026,588 -0.064,589 0.093,590 0.029,591 0.045,592 0.066,593 -0.004,594 -0.037,595 -0.118,596 -0.08,597 -0.043,598 -0.12,599 -0.08,600 -0.086,601 -0.113,602 -0.141,603 -0.058,604 -0.132,605 -0.027,606 0.003,607 -0.012,608 -0.019,609 -0.029,610 -0.009,611 -0.062,612 -0.135,613 -0.097,614 -0.153,615 -0.071,616 -0.146,617 0.01,618 0.189,619 -0.122,620 0.097,621 -0.038,622 -0.008,623 -0.075,624 -0.088,625 0.038,626 0.01,627 -0.068,628 0.041,629 2.024,630 5.77,631 0.76,632 19.558,633 1.018,634 1.122,635 2.738,636 7.499,637 0.716,638 3.367,639 3.738,640 4.078,641 4.431,642 4.762,643 4.905,644 5.05,645 5.226,646 5.268,647 5.247,648 5.356,649 0.706,650 332.36,651 3.367,652 4.934,653 5.82,654 6.737,655 7.651,656 8.579,657 9.506,658 10.441,659 11.374,660 12.313,661 10.5,668 1,669 1,670 2,674 2,675 7,680 5,681 1,682 16,683 1,698 1,699 38,700 19,701 2,702 28,704 41,705 19,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,720 1,721 16,722 2,724 2,728 1,730 1,731 2,732 1,733 1,734 1,736 13,737 5,738 1,739 6,743 4,747 0.5,748 1,756 1,759 1,760 3,762 2,777 2,781 1,783 1,785 25,789 1,790 1,796 1,798 1,799 1,800 1,801 2.6,804 1,808 12.833,809 7.493,810 5.444,811 2.24,812 3.701,813 1.483,814 1.039,815 3.547,816 11.358,817 3.714,818 4.366,819 5.044,820 5.722,821 6.351,822 6.775,823 7.204,824 7.669,825 7.967,826 8.256,827 1,828 44,829 9.231,831 4.085,832 8.04,833 17.134,835 14.352,837 2.54,838 63.5,842 141.253,843 127.479,844 67.51,846 25.145,847 14.96,849 127.479,850 166.398,851 82.47,852 8.825,853 19.994,854 66.334,855 49.208,856 70.872,857 19.861,858 141.253,860 141.253,861 194.989,862 40.105,865 156.213,866 25.145,869 78.441,870 116.548,873 156.213,874 92.655,875 127.479,878 141.253,879 35.719,880 77.058,881 34.49,882 87.827,883 141.253,884 107.615,885 127.479,887 0.59,888 0.357,889 0.201,890 0.125,891 22,892 10,893 0.049,894 2,895 2,896 1.211,897 3.573,898 223.828,899 0.211,900 19,901 112.096,904 15.413,905 5.753,906 2.472,907 1.433,908 105.716,909 11.658,914 2.288,915 1.86,916 17.888,917 376.347,918 40,922 12.421,924 4.02,925 0.328,926 38.665,927 42.618,928 0.314,929 0.745,930 0.848,931 0.926,932 0.926,933 0.926,934 4.977,935 1.491,936 5.832,937 4.641,938 4.419,939 5.053,940 2.562,941 6.715,942 4.37,943 6.232,944 1,945 7.433,946 4.354,947 4.111,948 4.987,950 7.763,951 4.03,952 7.574,953 0.955,954 9.135,955 2.505,956 6.075,957 7.36,958 3.638,959 10.935,960 5.979,961 8.951,962 0.568,963 10.897,964 2.275,965 6.581,966 8.138,968 12.872,969 6.453,970 10.36,971 0.162,972 12.701,973 0.965,974 8.047,975 9.994,976 4.978,977 15.606,978 7.902,979 11.795,981 14.535,982 0.356,983 8.94,984 11.186,986 17.926,987 8.763,988 13.25,989 -0.307,990 16.394,992 10.229,993 12.846,994 6.381,995 20.528,996 10.031,997 3.438,998 -0.557,999 18.273,1000 -0.778,1001 11.307,1002 14.241,1004 22.997,1005 11.077,1006 2.67,1007 12.827,1008 20.169,1009 -1.321,1010 12.541,1011 15.831,1012 7.798,1013 25.56,1014 12.286,1015 2.6,1016 8.482,1017 22.079,1018 4.79,1019 13.704,1020 17.319,1022 28.083,1023 13.417,1024 2.415,1025 8.343,1026 24.001,1027 3.694,1028 14.926,1029 18.887,1030 9.218,1031 30.636,1032 14.612,1033 2.161,1034 7.236,1035 25.933,1036 3.513,1037 16.126,1038 20.417,1040 33.178,1041 15.783,1042 2.092,1043 6.283,1044 27.872,1045 3.193,1046 17.349,1047 21.98,1048 10.638,1049 35.729,1050 16.978,1051 1.6,1052 5.924,1053 29.819,1054 2.842,1055 18.567,1056 23.529,1058 38.277,1059 18.166,1060 6216,1061 11429,1062 18.611,1063 27.222,1064 44.05,1065 46.685,1066 44.718,1067 42.453,1068 42.305,1069 58.337,1070 8.637,1071 128.381,1072 41.22,1073 5.681,1074 6.057,1075 6.781,1076 5.447,1077 5.438,1078 7.79,1079 4.069,1080 20.355,1081 5.346,1082 12.582,1083 1.573,1084 1.667,1085 1.597,1086 1.516,1087 1.511,1088 2.083,1089 0.308,1090 4.585,1091 1.472,1092 4.185,1093 4.214,1094 4.163,1095 4.091,1096 8.201,1097 4.104,1098 3.907,1099 3.933,1100 3.854,1101 3.856,1102 7.429,1103 3.852,1104 3.649,1105 3.696,1106 3.605,1107 3.489,1108 6.82,1109 3.509,1110 3.4,1111 3.465,1112 3.331,1113 3.23,1114 4.911,1115 3.244,1116 3.207,1117 3.26,1118 3.128,1119 3.028,1120 4.678,1121 3.042,1122 3.095,1123 3.149,1124 3.056,1125 2.831,1126 4.565,1127 2.883,1128 2.912,1129 2.973,1130 2.783,1131 2.787,1132 4.003,1133 2.779,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.762,1139 2.715,1140 0.173,1141 0.145,1142 0.258,1143 0.158,1144 0.123,1145 4.842,1146 0.171,1147 4.057,1148 0.073,1149 7.229,1150 0.458,1151 4.411,1152 0.119,1153 3.438,1154 4.79,1155 2.035,1156 12.827,1157 3.346,1158 1.962,1159 1.936,1160 2.054,1161 2.06,1162 1.22,1163 2.058,1164 1.909,1165 1.888,1166 1.989,1167 1.995,1168 1.134,1169 1.991,1170 1.725,1171 1.689,1172 1.82,1173 1.903,1174 0.93,1175 1.881,1176 1.346,1177 1.286,1178 1.567,1179 1.554,1180 0.692,1181 1.559,1182 1.153,1183 1.102,1184 1.365,1185 1.395,1186 0.462,1187 1.39,1188 0.949,1189 0.895,1190 1.181,1191 1.206,1192 0.218,1193 1.172,1194 0.926,1195 0.878,1196 1.139,1197 1.093,1198 0.163,1199 1.108,1200 0.886,1201 0.821,1202 1.066,1203 1.062,1204 0.102,1205 1.107,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.949,1212 8.618,1213 7.261,1214 10.333,1216 1.786,1218 13.77,1222 0.434,1223 2.499,1229 8.918,1230 2.083,1231 26.818,1232 62.605,1233 148.509,1234 169.015,1235 184.666,1236 184.666,1237 184.666,1238 45.352,1239 7.657,1240 74.47,1241 74.47,1242 23,1243 12.811,1244 4.322,1245 3.7,1246 35.687,1247 77,1248 105,1249 0.228,1250 163.622,1251 284.94,1252 390.997,1253 20554,1254 2.6,1255 17.552,1256 0.702,1257 0.535,1258 16.681,1259 13.376,1260 12.08,1261 0.431,1262 0.276,1263 7.638,1264 11.629,1265 7.448,1266 6.152,1267 11.686,1268 7.74,1269 11.127,1270 0.271,1271 0.144,1272 10.493,1273 5.918,1274 9.741,1275 0.168,1276 0.075,1277 9.399,1278 4.351,1279 8.384,1280 0.101,1281 0.039,1282 8.16,1283 3.204,1284 7.532,1285 0.065,1286 0.02,1287 7.281,1288 2.363,1289 0.343,1290 75.721,1291 0.232,1292 23.627,1293 0.671,1294 138,1295 467.115,1296 150.928,1297 435.21,1298 587.96,1299 404,1300 168,1301 432.351,1302 181.285,1303 434.979,1304 637.12,1305 409,1306 5} {0 CHEMBL2088669,1 1.647,2 8.64,3 3.293,4 10.841,5 91.926,6 8.746,7 0.571,8 3.772,9 3.876,10 3.478,11 3.392,12 5.046,13 3.396,14 4.265,15 4.403,16 3.869,17 3.788,18 5.506,19 3.785,20 4.506,21 4.661,22 3.976,23 3.93,24 5.786,25 3.911,26 4.592,27 4.779,28 3.946,29 3.938,30 5.777,31 3.907,32 4.591,33 4.779,34 3.896,35 3.903,36 5.831,37 3.862,38 4.591,39 4.788,40 3.841,41 3.835,42 5.925,43 3.798,44 4.472,45 4.687,46 3.641,47 3.672,48 5.893,49 3.62,50 4.175,51 4.395,52 3.363,53 3.39,54 5.52,55 3.336,56 0.081,57 0.635,58 5.089,59 3.053,60 9.405,61 3.345,62 0.182,63 1.022,64 10.13,65 5.148,66 18.253,67 5.914,68 0.357,69 1.294,70 14.118,71 6.676,72 42.824,73 7.449,74 0.324,75 1.353,76 17.039,77 7.326,78 48.677,79 8.544,80 0.365,81 1.334,82 17.558,83 7.546,84 46.16,85 8.877,86 0.47,87 1.328,88 19.011,89 7.622,90 75.223,91 8.655,92 0.628,93 1.236,94 19.01,95 7.286,96 106.02,97 8.231,98 0.234,99 0.868,100 13.21,101 5.319,102 36.517,103 6.535,104 18,105 41,106 0.288,107 0.682,108 0.795,109 0.885,110 0.885,111 0.885,112 3.269,113 0.829,114 -3.97,115 -3.92,116 -3.72,119 50,120 1,124 1,133 7,134 4,135 1,143 2,146 1,147 2,157 1,159 9,162 7,164 1,168 10,171 2,172 8,174 1,176 2,178 7,181 1,182 7,187 1,190 5,194 7,199 3,202 9,205 1,206 5,211 3,213 12,217 4,222 2,224 9,229 6,234 1,237 4,241 1,242 3,245 1,250 1,255 881,256 16.955,257 16.955,258 16.955,259 16.955,260 16.955,261 14.572,262 20.097,263 9.751,264 17.169,265 13.76,266 13.76,267 13.76,268 13.76,269 13.76,270 9.999,271 25.702,272 4.561,273 14.113,274 3.6,275 1.34,276 0.695,277 0.178,278 0.178,279 0.178,280 3.964,283 1,284 1,285 470,286 2.646,288 38.112,289 162.27,291 145.364,295 1.123,296 30.627,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.5,307 216,308 4.842,309 4.058,310 7.229,311 4.411,312 3.439,313 4.791,314 2.035,315 12.827,316 3.346,317 4.137,318 3.714,319 6.05,320 3.696,321 2.704,322 3.729,323 0.98,324 8.493,325 2.684,326 4.007,327 3.213,328 6.004,329 3.583,330 2.6,331 3.513,332 0.782,333 8.37,334 2.55,335 3.804,336 2.905,337 5.571,338 3.367,339 2.404,340 3.182,341 0.522,342 7.533,343 2.312,344 3.558,345 2.861,346 5.112,347 3.117,348 2.148,349 2.815,351 6.052,352 2.072,353 3.507,354 2.626,355 4.949,356 2.994,357 2.015,358 2.717,360 5.761,361 1.951,362 3.116,363 2.219,364 4.715,365 2.572,366 1.599,367 2.302,369 4.617,370 1.554,371 2.968,372 1.825,373 4.58,374 2.462,375 1.492,376 1.984,378 4.346,379 1.435,380 2.849,381 1.768,382 3.786,383 2.213,384 1.216,385 1.786,386 2.695,387 1.211,388 2.614,389 1.248,390 3.493,391 1.901,392 0.922,393 1.262,394 2.406,395 0.9,396 2.337,397 1.03,398 3.079,399 1.375,400 0.43,401 0.875,402 0.626,403 0.405,404 1.475,405 0.933,406 2.774,407 1.201,408 0.162,409 0.193,411 0.357,412 0.167,413 1.3,414 0.371,415 2.719,416 0.971,422 1.024,423 0.129,424 2.648,425 0.608,426 -0.309,427 -0.388,429 -0.811,430 -0.275,431 0.837,432 -0.05,433 2.428,434 0.358,435 -0.632,436 -0.84,438 -1.48,439 -0.622,440 11.719,441 0.469,442 0.678,443 0.027,444 36,445 1.44,446 20,447 0.8,448 16,449 0.64,450 17.79,451 0.712,452 24.881,453 0.655,454 26.972,455 1.079,456 7.258,457 0.29,458 4.821,459 0.193,460 0.13,462 0.418,464 1,466 0.559,467 0.912,468 0.618,469 0.869,470 0.479,471 0.785,472 0.631,473 0.984,474 0.673,475 0.891,476 0.487,477 0.813,478 0.878,479 1.019,480 0.962,481 1.015,482 0.826,483 1.014,484 0.859,485 0.96,486 0.987,487 1.036,488 0.782,489 1.031,490 0.863,491 0.955,492 1.014,493 1.095,494 0.84,495 1.094,496 1.129,497 0.906,498 1.087,499 1.013,500 1.194,501 1.039,502 1.355,503 0.959,504 1.181,505 0.919,506 1.333,507 0.992,508 0.963,509 1.112,510 0.997,511 1.121,512 0.984,513 1.085,514 5,515 0.054,516 2.667,517 2.674,518 1.925,519 1.112,520 0.555,521 0.431,522 0.269,523 0.137,524 6284,525 20744,526 2.105,527 34.2,529 9,532 1,533 3,536 1.688,537 1.948,538 3.069,539 -0.317,540 1,541 1,543 1,545 62.605,546 1.647,547 3.908,548 4.553,549 5.07,550 5.07,551 5.07,552 2.423,553 4.404,554 4.614,555 3.189,556 956.735,557 8.025,558 11059,559 1,560 1,561 1,562 1,563 199.421,564 1.473,565 4.565,566 0.179,567 0.011,568 0.065,569 0.061,570 0.046,571 0.029,572 0.015,573 0.015,574 0.012,575 0.011,576 0.442,577 0.5,578 1,579 0.795,580 117.051,581 0.007,582 0.017,583 0.035,584 0.023,585 -0.005,586 0.031,587 0.026,588 -0.064,589 0.093,590 0.029,591 0.046,592 0.066,593 -0.004,594 -0.037,595 -0.118,596 -0.08,597 -0.046,598 -0.12,599 -0.077,600 -0.061,601 -0.074,602 -0.094,603 -0.054,604 -0.08,605 -0.023,606 -0.084,607 -0.068,608 -0.131,609 -0.033,610 -0.116,611 -0.07,612 -0.003,613 -0.071,614 -0.03,615 -0.103,616 -0.048,617 0.004,618 0.159,619 -0.065,620 0.131,621 -0.023,622 0.047,623 -0.048,624 -0.207,625 0.062,626 -0.112,627 -0.011,628 -0.027,629 2.03,630 5.78,631 0.76,632 18.49,633 1.018,634 1.122,635 2.738,636 7.499,637 0.716,638 3.367,639 3.738,640 4.078,641 4.443,642 4.762,643 4.905,644 5.063,645 5.236,646 5.268,647 5.242,648 5.175,649 0.706,650 332.36,651 3.367,652 4.934,653 5.82,654 6.739,655 7.653,656 8.584,657 9.51,658 10.446,659 11.379,660 12.32,661 10.5,668 1,669 1,670 2,674 2,675 7,680 5,681 1,682 16,683 1,698 1,699 38,700 19,701 2,702 28,704 41,705 19,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,720 1,721 16,722 2,724 2,728 1,730 1,731 2,732 1,733 1,734 1,736 13,737 5,738 1,739 6,743 4,747 0.5,748 1,756 1,759 1,760 3,762 2,777 2,781 1,783 1,785 25,789 1,790 1,796 1,798 1,799 1,800 1,801 2.6,804 1,808 12.833,809 7.493,810 5.444,811 2.24,812 3.729,813 1.487,814 1.039,815 3.547,816 11.386,817 3.714,818 4.366,819 5.044,820 5.729,821 6.355,822 6.766,823 7.217,824 7.676,825 7.968,826 8.245,827 0.833,828 44,829 9.236,831 4.092,832 8.04,833 17.134,835 14.352,837 2.54,838 63.5,842 141.253,843 127.479,844 67.51,846 25.145,847 14.96,849 127.479,850 166.398,851 82.47,852 8.825,853 19.994,854 66.334,855 49.208,856 70.872,857 19.861,858 141.253,860 141.253,861 194.989,862 40.105,865 156.213,866 25.145,869 78.441,870 116.548,873 156.213,874 92.655,875 127.479,878 141.253,879 35.719,880 77.058,881 34.49,882 87.827,883 141.253,884 107.615,885 127.479,887 0.588,888 0.356,889 0.206,890 0.126,891 22,892 10,893 0.049,894 2,895 2,896 1.211,897 3.548,898 225.176,899 0.211,900 19,901 114.096,904 15.413,905 5.753,906 2.472,907 1.405,908 105.716,909 11.67,914 2.176,915 1.841,916 17.888,917 376.347,918 40,922 12.435,924 4.018,925 0.309,926 38.665,927 42.618,928 0.314,929 0.745,930 0.868,931 0.966,932 0.966,933 0.966,934 4.977,935 1.492,936 5.832,937 4.617,938 4.419,939 5.053,940 2.562,941 6.718,942 4.37,943 6.232,944 1.216,945 7.433,946 4.346,947 4.111,948 4.987,950 7.763,951 4.03,952 7.574,953 0.922,954 9.135,955 2.695,956 6.075,957 7.36,958 3.638,959 10.942,960 5.979,961 8.951,962 0.43,963 10.898,964 2.406,965 6.581,966 8.138,968 12.876,969 6.453,970 10.36,971 0.162,972 12.702,973 0.626,974 8.049,975 9.996,976 4.978,977 15.613,978 7.905,979 11.795,981 14.537,982 0.357,983 8.944,984 11.188,986 17.93,987 8.768,988 13.252,989 -0.309,990 16.397,992 10.234,993 12.85,994 6.381,995 20.532,996 10.037,997 3.439,998 -0.632,999 18.276,1000 -0.811,1001 11.313,1002 14.245,1004 22.999,1005 11.084,1006 2.704,1007 12.827,1008 20.173,1009 -1.48,1010 12.547,1011 15.835,1012 7.798,1013 25.562,1014 12.293,1015 2.6,1016 8.493,1017 22.083,1018 4.791,1019 13.71,1020 17.323,1022 28.084,1023 13.425,1024 2.404,1025 8.37,1026 24.004,1027 3.729,1028 14.932,1029 18.891,1030 9.218,1031 30.637,1032 14.62,1033 2.148,1034 7.533,1035 25.936,1036 3.513,1037 16.131,1038 20.421,1040 33.178,1041 15.79,1042 2.015,1043 6.052,1044 27.876,1045 3.182,1046 17.354,1047 21.983,1048 10.638,1049 35.73,1050 16.984,1051 1.599,1052 5.761,1053 29.822,1054 2.815,1055 18.571,1056 23.532,1058 38.277,1059 18.172,1060 6068,1061 11123,1062 18.611,1063 27.222,1064 44.142,1065 46.758,1066 44.706,1067 42.384,1068 42.261,1069 58.302,1070 8.637,1071 128.167,1072 41.174,1073 5.682,1074 6.058,1075 6.821,1076 5.447,1077 5.439,1078 7.791,1079 4.069,1080 20.355,1081 5.346,1082 12.479,1083 1.576,1084 1.67,1085 1.597,1086 1.514,1087 1.509,1088 2.082,1089 0.308,1090 4.577,1091 1.471,1092 4.185,1093 4.214,1094 4.163,1095 4.091,1096 8.201,1097 4.105,1098 3.907,1099 3.933,1100 3.855,1101 3.856,1102 7.429,1103 3.852,1104 3.649,1105 3.696,1106 3.605,1107 3.489,1108 6.82,1109 3.509,1110 3.388,1111 3.454,1112 3.313,1113 3.209,1114 4.911,1115 3.223,1116 3.201,1117 3.254,1118 3.133,1119 3.03,1120 4.68,1121 3.046,1122 3.125,1123 3.181,1124 3.064,1125 2.898,1126 4.566,1127 2.918,1128 2.962,1129 3.02,1130 2.839,1131 2.812,1132 4.012,1133 2.824,1134 2.869,1135 2.93,1136 2.747,1137 2.735,1138 3.767,1139 2.733,1140 0.173,1141 0.145,1142 0.258,1143 0.158,1144 0.123,1145 4.842,1146 0.171,1147 4.058,1148 0.073,1149 7.229,1150 0.458,1151 4.411,1152 0.12,1153 3.439,1154 4.791,1155 2.035,1156 12.827,1157 3.346,1158 1.962,1159 1.937,1160 2.053,1161 2.061,1162 1.22,1163 2.058,1164 1.909,1165 1.888,1166 1.989,1167 1.995,1168 1.134,1169 1.991,1170 1.724,1171 1.688,1172 1.82,1173 1.903,1174 0.929,1175 1.88,1176 1.335,1177 1.272,1178 1.567,1179 1.549,1180 0.693,1181 1.556,1182 1.144,1183 1.094,1184 1.362,1185 1.387,1186 0.463,1187 1.382,1188 1.048,1189 0.99,1190 1.222,1191 1.262,1192 0.19,1193 1.246,1194 0.926,1195 0.879,1196 1.139,1197 1.109,1198 0.165,1199 1.129,1200 0.843,1201 0.796,1202 1.011,1203 1.027,1204 0.106,1205 1.025,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.949,1212 8.62,1213 7.261,1214 10.336,1216 1.781,1218 13.78,1222 0.397,1223 2.494,1229 9.081,1230 2.113,1231 26.818,1232 62.605,1233 148.509,1234 173.015,1235 192.666,1236 192.666,1237 192.666,1238 45.826,1239 7.657,1240 74.47,1241 74.47,1242 23,1243 12.816,1244 4.322,1245 3.7,1246 35.587,1247 75,1248 90,1249 0.234,1250 163.622,1251 284.94,1252 390.997,1253 20554,1254 2.6,1255 17.552,1256 0.702,1257 0.535,1258 16.681,1259 13.376,1260 12.08,1261 0.431,1262 0.276,1263 7.638,1264 11.629,1265 7.447,1266 6.153,1267 11.686,1268 7.74,1269 11.139,1270 0.272,1271 0.144,1272 10.505,1273 5.922,1274 9.666,1275 0.167,1276 0.075,1277 9.324,1278 4.324,1279 8.496,1280 0.101,1281 0.039,1282 8.271,1283 3.259,1284 7.568,1285 0.065,1286 0.02,1287 7.317,1288 2.35,1289 0.35,1290 75.721,1291 0.232,1292 23.479,1293 0.7,1294 138,1295 467.115,1296 150.928,1297 435.275,1298 587.98,1299 404,1300 168,1301 432.351,1302 181.285,1303 435.114,1304 637.36,1305 409,1306 5} {0 CHEMBL2088670,1 1.663,2 9.36,3 3.397,4 11.542,5 92.651,6 8.229,7 0.571,8 3.846,9 3.951,10 3.5,11 3.406,12 5.044,13 3.411,14 4.358,15 4.507,16 3.887,17 3.793,18 5.548,19 3.795,20 4.547,21 4.698,22 3.987,23 3.938,24 5.772,25 3.922,26 4.651,27 4.833,28 3.94,29 3.976,30 5.757,31 3.931,32 4.693,33 4.908,34 3.88,35 3.95,36 5.815,37 3.885,38 4.646,39 4.849,40 3.83,41 3.851,42 5.898,43 3.801,44 4.517,45 4.737,46 3.589,47 3.645,48 5.875,49 3.579,50 4.279,51 4.53,52 3.274,53 3.342,54 5.382,55 3.273,56 0.087,57 0.668,58 6.795,59 3.649,60 7.221,61 4.176,62 0.267,63 1.068,64 13.829,65 5.948,66 22.031,67 7.035,68 0.4,69 1.31,70 16.802,71 7.258,72 40.489,73 8.362,74 0.34,75 1.387,76 19.666,77 8.213,78 31.738,79 10.047,80 0.404,81 1.401,82 22.71,83 8.923,84 40.401,85 11.574,86 0.511,87 1.332,88 22.076,89 8.398,90 62.505,91 10.3,92 0.631,93 1.229,94 20.783,95 7.515,96 97.214,97 8.953,98 0.329,99 0.863,100 17.128,101 5.824,102 38.591,103 7.519,104 18,105 41,106 0.289,107 0.663,108 0.782,109 0.848,110 0.848,111 0.848,112 3.269,113 0.844,114 -4.04,115 -3.99,116 -3.78,119 46.3,120 1,123 1,124 1,133 7,134 3,135 2,143 2,146 1,147 1,157 1,159 7,162 8,164 1,168 8,171 2,172 8,174 1,176 2,178 6,181 1,182 6,187 1,190 5,194 5,199 3,202 9,205 1,206 5,211 3,213 12,217 4,222 2,224 6,229 5,237 2,241 1,242 2,245 1,255 899,256 16.955,257 16.955,258 16.955,259 16.955,260 16.955,261 14.663,262 21.086,263 9.714,264 17.338,265 13.743,266 13.743,267 13.743,268 13.743,269 13.743,270 10.177,271 26.879,272 4.539,273 14.266,274 3.694,275 1.544,276 0.858,277 0.476,278 0.476,279 0.476,280 3.964,283 1,284 1,285 511,286 2.646,288 39.386,289 164.347,291 149.249,295 1.254,296 27.949,298 1,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 0.87,306 55,307 234,308 4.842,309 3.714,310 7.229,311 4.411,312 3.438,313 4.79,314 0.98,315 12.827,316 3.346,317 4.047,318 3.214,319 6.049,320 3.646,321 2.67,322 3.642,323 0.86,324 8.482,325 2.606,326 4.006,327 2.939,328 6.002,329 3.582,330 2.6,331 3.513,332 0.782,333 8.343,334 2.549,335 3.786,336 2.869,337 5.472,338 3.366,339 2.415,340 3.18,341 0.522,342 7.236,343 2.297,344 3.522,345 2.768,346 5.159,347 3.132,348 2.161,349 2.815,351 6.283,352 2.074,353 3.442,354 2.475,355 5.029,356 3.039,357 2.092,358 2.731,360 5.924,361 1.961,362 3.102,363 1.869,364 4.73,365 2.573,366 1.6,367 2.301,369 4.641,370 1.553,371 2.887,372 1.77,373 4.582,374 2.459,375 1.491,376 1.967,378 4.354,379 1.43,380 2.5,381 1.182,382 3.787,383 2,384 1,385 1.5,386 2.505,387 1,388 2.352,389 1.025,390 3.414,391 1.93,392 0.955,393 1.283,394 2.275,395 0.928,396 1.741,397 1,398 3.121,399 1.451,400 0.568,401 0.642,402 0.965,403 0.495,404 1.473,405 0.926,406 2.799,407 1.201,408 0.162,409 0.193,411 0.356,412 0.167,413 1.251,414 0.408,415 2.758,416 0.943,422 1.024,423 0.179,424 2.578,425 0.608,426 -0.307,427 -0.384,429 -0.778,430 -0.272,431 0.795,432 -0.063,433 2.394,434 0.407,435 -0.557,436 -0.693,438 -1.321,439 -0.529,440 11.652,441 0.466,442 0.678,443 0.027,444 33.75,445 1.35,446 17.5,447 0.7,448 16.25,449 0.65,450 18.81,451 0.752,452 26.148,453 0.638,454 25.69,455 1.028,456 7.028,457 0.281,458 5.052,459 0.202,460 0.139,462 0.421,464 1,466 0.634,467 1.006,468 0.662,469 0.989,470 0.528,471 0.867,472 0.836,473 0.978,474 0.71,475 0.831,476 0.568,477 0.757,478 0.953,479 1.051,480 0.963,481 0.998,482 0.932,483 0.986,484 0.828,485 1.035,486 1.019,487 1.11,488 0.759,489 1.106,490 0.702,491 0.905,492 0.906,493 1.018,494 0.794,495 1.013,496 1.006,497 0.977,498 1.009,499 1.021,500 1.201,501 1.026,502 1.248,503 1.092,504 1.194,505 1.052,506 1.481,507 1.096,508 1.054,509 0.934,510 0.976,511 0.955,512 0.962,513 0.939,514 5,515 0.087,516 2.889,517 2.424,518 2.005,519 1.167,520 0.593,521 0.35,522 0.301,523 0.15,524 6444,525 19816,526 2.105,527 39,529 12,532 1,533 3,536 1.686,537 1.948,538 3.13,539 -0.317,540 1,541 1,543 1,545 68.194,546 1.663,547 3.814,548 4.5,549 4.882,550 4.882,551 4.882,552 2.603,553 4.214,554 4.61,555 3.276,556 982.805,557 8.01,558 11310.7,559 1,560 1,562 1,563 219.66,564 1.473,565 4.565,566 0.179,567 0.01,568 0.07,569 0.055,570 0.049,571 0.031,572 0.017,573 0.013,574 0.016,575 0.011,576 0.45,577 0.67,578 1,579 0.795,580 117.607,581 -0.002,582 -0.023,583 0.05,584 -0.023,585 -0.039,586 0.014,587 -0.041,588 -0.027,589 0.121,590 0.126,591 0.036,592 0.155,593 -0.046,594 -0.012,595 -0.115,596 -0.041,597 -0.058,598 -0.087,599 -0.081,600 -0.1,601 -0.142,602 -0.155,603 -0.058,604 -0.16,605 0.021,606 -0.028,607 0.039,608 -0.043,609 0.014,610 -0.007,611 -0.022,612 -0.061,613 -0.026,614 -0.045,615 -0.044,616 -0.046,617 0.004,618 0.063,619 -0.136,620 -0.052,621 0.019,622 -0.11,623 -0.076,624 -0.045,625 0.102,626 0.017,627 -0.039,628 0.094,629 2.004,630 5.787,631 0.76,632 19.558,633 1.016,634 1.126,635 2.812,636 7.909,637 0.688,638 3.367,639 3.738,640 4.078,641 4.431,642 4.762,643 4.905,644 5.05,645 5.226,646 5.268,647 5.247,648 5.356,649 0.672,650 337.38,651 3.367,652 4.934,653 5.82,654 6.737,655 7.651,656 8.579,657 9.506,658 10.441,659 11.374,660 12.313,661 7.3,668 1,669 1,670 1,674 2,675 7,680 5,681 1,682 16,697 1,698 1,699 41,700 18,701 2,702 28,704 44,705 19,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 3,724 2,728 1,730 1,731 2,732 1,733 1,734 1,736 16,737 5,738 1,739 6,743 3,747 0.5,748 2,756 1,759 1,760 3,762 2,777 2,781 2,783 1,785 25,789 1,790 1,791 1,800 1,801 4.9,804 1,806 1,808 12.833,809 8.21,810 5.444,811 2.336,812 3.507,813 1.458,814 1.027,815 3.813,816 11.164,817 3.664,818 4.341,819 5.005,820 5.692,821 6.327,822 6.736,823 7.17,824 7.649,825 7.928,826 8.182,827 1,828 44,829 9.252,831 4.05,832 7.92,833 17.335,835 14.396,837 2.42,838 60.5,841 1,842 176.567,843 123.819,844 36.45,846 36.145,847 14.96,849 123.819,850 212.711,851 51.41,852 19.708,853 19.994,854 66.334,855 32.606,856 52.871,857 19.861,858 176.567,860 176.567,861 160.269,862 51.105,865 191.527,866 36.145,869 47.381,870 112.888,873 191.527,874 72.595,875 123.819,878 176.567,879 37.777,880 87.941,881 17.888,882 67.768,883 176.567,884 87.555,885 123.819,887 0.59,888 0.357,889 0.201,890 0.125,891 22,892 10,893 0.068,894 3,895 2,896 1.211,897 3.573,898 223.828,899 0.211,900 19,901 112.096,904 15.854,905 6.012,906 2.609,907 1.494,908 85.656,909 12.205,914 2.634,915 1.902,916 17.888,917 387.94,918 38,922 12.444,924 4.04,925 0.379,926 41.658,927 46.16,928 0.31,929 0.712,930 0.84,931 0.911,932 0.911,933 0.911,934 4.92,935 1.491,936 5.832,937 4.641,938 4.419,939 5.027,940 1.819,941 6.715,942 4.353,943 6.168,944 1,945 7.433,946 4.354,947 4.111,948 4.987,950 7.763,951 4.008,952 7.51,953 0.955,954 9.135,955 2.505,956 6.075,957 7.334,958 1.576,959 10.935,960 5.954,961 8.891,962 0.568,963 10.897,964 2.275,965 6.581,966 8.125,968 12.872,969 6.426,970 10.304,971 0.162,972 12.701,973 0.965,974 8.047,975 9.973,976 1.405,977 15.606,978 7.875,979 11.743,981 14.535,982 0.356,983 8.94,984 11.171,986 17.926,987 8.738,988 13.203,989 -0.307,990 16.394,992 10.229,993 12.83,994 1.278,995 20.528,996 10.008,997 3.438,998 -0.557,999 18.273,1000 -0.778,1001 11.307,1002 14.229,1004 22.997,1005 11.057,1006 2.67,1007 12.827,1008 20.169,1009 -1.321,1010 12.541,1011 15.819,1012 1.178,1013 25.56,1014 12.268,1015 2.6,1016 8.482,1017 22.079,1018 4.79,1019 13.704,1020 17.31,1022 28.083,1023 13.402,1024 2.415,1025 8.343,1026 24.001,1027 3.642,1028 14.926,1029 18.879,1030 1.098,1031 30.636,1032 14.599,1033 2.161,1034 7.236,1035 25.933,1036 3.513,1037 16.126,1038 20.411,1040 33.178,1041 15.772,1042 2.092,1043 6.283,1044 27.872,1045 3.18,1046 17.349,1047 21.975,1048 1.033,1049 35.729,1050 16.969,1051 1.6,1052 5.924,1053 29.819,1054 2.815,1055 18.567,1056 23.525,1058 38.277,1059 18.159,1060 6216,1061 11013,1062 18.611,1063 28.193,1064 42.826,1065 44.246,1066 44.718,1067 42.432,1068 42.305,1069 57.115,1070 6.287,1071 128.381,1072 40.812,1073 5.682,1074 5.714,1075 6.781,1076 5.447,1077 5.438,1078 7.79,1079 1.96,1080 20.355,1081 5.346,1082 12.582,1083 1.53,1084 1.58,1085 1.597,1086 1.515,1087 1.511,1088 2.04,1089 0.225,1090 4.585,1091 1.458,1092 4.185,1093 4.214,1094 4.163,1095 4.09,1096 8.201,1097 4.104,1098 3.895,1099 3.917,1100 3.836,1101 3.828,1102 7.429,1103 3.826,1104 3.649,1105 3.696,1106 3.605,1107 3.489,1108 4.926,1109 3.508,1110 3.396,1111 3.458,1112 3.304,1113 3.192,1114 4.838,1115 3.207,1116 3.236,1117 3.299,1118 3.093,1119 2.993,1120 4.575,1121 3.005,1122 3.134,1123 3.197,1124 3.039,1125 2.85,1126 4.369,1127 2.886,1128 2.941,1129 3.003,1130 2.79,1131 2.804,1132 3.979,1133 2.795,1134 2.854,1135 2.925,1136 2.692,1137 2.735,1138 3.757,1139 2.715,1140 0.173,1141 0.133,1142 0.258,1143 0.158,1144 0.123,1145 4.842,1146 0.171,1147 3.714,1148 0.035,1149 7.229,1150 0.458,1151 4.411,1152 0.119,1153 3.438,1154 4.79,1155 0.98,1156 12.827,1157 3.346,1158 1.955,1159 1.931,1160 2.046,1161 2.059,1162 1.218,1163 2.055,1164 1.898,1165 1.876,1166 1.985,1167 1.994,1168 1.133,1169 1.988,1170 1.719,1171 1.683,1172 1.818,1173 1.903,1174 0.927,1175 1.878,1176 1.332,1177 1.271,1178 1.6,1179 1.579,1180 0.695,1181 1.585,1182 1.189,1183 1.121,1184 1.524,1185 1.473,1186 0.567,1187 1.494,1188 1.055,1189 0.98,1190 1.334,1191 1.35,1192 0.45,1193 1.347,1194 0.926,1195 0.879,1196 1.181,1197 1.104,1198 0.218,1199 1.125,1200 0.886,1201 0.821,1202 1.139,1203 1.062,1204 0.159,1205 1.107,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.949,1212 8.618,1213 7.261,1214 10.333,1216 3.423,1218 13.787,1222 0.488,1223 2.522,1224 5.181,1231 27.565,1232 68.194,1233 156.357,1234 184.498,1235 200.15,1236 200.15,1237 200.15,1238 42.587,1239 7.657,1240 59.91,1241 59.91,1242 23,1243 12.811,1244 4.248,1245 3.459,1246 35.687,1247 77,1248 105,1249 0.228,1250 166.678,1251 288.01,1252 398.455,1253 20554,1254 2.4,1255 17.552,1256 0.702,1257 0.553,1258 16.681,1259 13.837,1260 12.08,1261 0.431,1262 0.281,1263 7.742,1264 11.516,1265 7.517,1266 6.229,1267 11.686,1268 7.879,1269 11.127,1270 0.271,1271 0.145,1272 10.493,1273 5.957,1274 9.741,1275 0.168,1276 0.076,1277 9.399,1278 4.427,1279 8.384,1280 0.101,1281 0.039,1282 8.16,1283 3.25,1284 7.532,1285 0.065,1286 0.02,1287 7.281,1288 2.374,1289 0.343,1290 76.483,1291 0.232,1292 23.627,1293 0.671,1294 138,1295 471.205,1296 153.113,1297 427.597,1298 581.64,1299 400,1300 168,1301 429.488,1302 183.277,1303 429.611,1304 631.84,1305 403,1306 5} {0 CHEMBL2088671,1 1.663,2 8.64,3 3.397,4 11.542,5 92.651,6 8.229,7 0.571,8 3.846,9 3.951,10 3.5,11 3.406,12 5.044,13 3.411,14 4.358,15 4.507,16 3.887,17 3.793,18 5.549,19 3.795,20 4.547,21 4.698,22 3.987,23 3.938,24 5.769,25 3.922,26 4.651,27 4.833,28 3.962,29 3.977,30 5.758,31 3.937,32 4.704,33 4.906,34 3.909,35 3.963,36 5.843,37 3.905,38 4.672,39 4.873,40 3.861,41 3.883,42 5.916,43 3.833,44 4.603,45 4.841,46 3.676,47 3.687,48 5.917,49 3.635,50 4.279,51 4.484,52 3.42,53 3.435,54 5.513,55 3.377,56 0.087,57 0.668,58 6.795,59 3.649,60 7.221,61 4.176,62 0.267,63 1.068,64 13.829,65 5.948,66 22.036,67 7.035,68 0.4,69 1.31,70 16.802,71 7.258,72 40.502,73 8.362,74 0.326,75 1.388,76 19.653,77 8.213,78 31.466,79 10.077,80 0.486,81 1.407,82 22.71,83 8.875,84 42.216,85 11.186,86 0.442,87 1.379,88 22.132,89 8.616,90 60.249,91 10.614,92 0.713,93 1.29,94 24.032,95 8.07,96 103.832,97 9.84,98 0.393,99 0.876,100 15.491,101 5.95,102 39.52,103 7.353,104 18,105 41,106 0.289,107 0.663,108 0.799,109 0.882,110 0.882,111 0.882,112 3.269,113 0.844,114 -4.04,115 -3.99,116 -3.78,119 46.3,120 1,123 1,124 1,133 7,134 3,135 2,143 2,146 1,147 1,157 1,159 7,162 8,164 1,168 8,171 2,172 8,174 1,176 2,178 6,181 1,182 5,187 1,190 5,193 1,194 6,199 3,202 9,206 5,211 3,213 9,217 6,222 1,224 7,228 1,229 4,232 1,234 1,237 3,241 1,242 2,250 1,255 881,256 16.955,257 16.955,258 16.955,259 16.955,260 16.955,261 14.663,262 21.086,263 9.751,264 17.338,265 13.76,266 13.76,267 13.76,268 13.76,269 13.76,270 10.183,271 28.186,272 4.561,273 14.28,274 3.694,275 1.544,276 0.76,277 0.281,278 0.281,279 0.281,280 3.964,283 1,284 1,285 470,286 2.646,288 38.112,289 162.27,291 145.364,295 1.123,296 28.192,298 1,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 0.87,306 55,307 216,308 4.842,309 3.714,310 7.229,311 4.411,312 3.439,313 4.791,314 0.98,315 12.827,316 3.346,317 4.077,318 3.215,319 6.05,320 3.678,321 2.704,322 3.676,323 0.86,324 8.493,325 2.634,326 4.006,327 2.974,328 6.004,329 3.582,330 2.6,331 3.513,332 0.782,333 8.37,334 2.55,335 3.78,336 2.87,337 5.571,338 3.357,339 2.404,340 3.173,341 0.522,342 7.533,343 2.292,344 3.518,345 2.751,346 5.112,347 3.112,348 2.148,349 2.815,351 6.052,352 2.042,353 3.346,354 2.416,355 4.949,356 2.966,357 2.015,358 2.594,360 5.761,361 1.9,362 3.098,363 1.861,364 4.715,365 2.571,366 1.599,367 2.298,369 4.617,370 1.552,371 2.889,372 1.77,373 4.58,374 2.459,375 1.492,376 1.973,378 4.346,379 1.43,380 2.676,381 1.337,382 3.786,383 2.205,384 1.216,385 1.753,386 2.695,387 1.2,388 2.338,389 1.03,390 3.493,391 1.901,392 0.922,393 1.261,394 2.406,395 0.9,396 1.584,397 0.941,398 3.079,399 1.295,400 0.43,401 0.482,402 0.626,403 0.368,404 1.475,405 0.927,406 2.774,407 1.201,408 0.162,409 0.193,411 0.357,412 0.167,413 1.299,414 0.369,415 2.719,416 0.971,422 1.024,423 0.129,424 2.648,425 0.608,426 -0.309,427 -0.388,429 -0.811,430 -0.275,431 0.767,432 -0.093,433 2.428,434 0.353,435 -0.632,436 -0.817,438 -1.48,439 -0.613,440 11.652,441 0.466,442 0.678,443 0.027,444 33.75,445 1.35,446 17.5,447 0.7,448 16.25,449 0.65,450 18.949,451 0.758,452 26.148,453 0.638,454 25.813,455 1.033,456 7.028,457 0.281,458 5.052,459 0.202,460 0.139,462 0.421,464 1,466 0.634,467 1.006,468 0.662,469 0.989,470 0.528,471 0.867,472 0.836,473 0.978,474 0.71,475 0.831,476 0.568,477 0.757,478 0.953,479 1.051,480 0.963,481 0.998,482 0.938,483 0.986,484 0.811,485 1.035,486 0.973,487 1.105,488 0.745,489 1.078,490 0.812,491 0.893,492 0.97,493 1.002,494 0.827,495 1.024,496 0.968,497 1.047,498 1.012,499 1.114,500 1.159,501 1.088,502 1.263,503 0.914,504 1.048,505 0.844,506 1.378,507 0.873,508 0.938,509 1.049,510 1.022,511 1.143,512 0.876,513 1.12,514 5,515 0.054,516 2.667,517 2.674,518 1.925,519 1.112,520 0.555,521 0.431,522 0.269,523 0.137,524 6284,525 19272,526 2.105,527 39,529 12,532 1,533 3,536 1.688,537 1.948,538 3.069,539 -0.317,540 1,541 1,543 1,545 68.194,546 1.663,547 3.814,548 4.598,549 5.077,550 5.077,551 5.077,552 2.423,553 4.404,554 4.614,555 3.189,556 956.735,557 8.025,558 11059,559 1,560 1,562 1,563 219.66,564 1.473,565 4.565,566 0.179,567 0.011,568 0.065,569 0.061,570 0.046,571 0.029,572 0.015,573 0.015,574 0.012,575 0.011,576 0.442,577 0.67,578 1,579 0.795,580 117.051,581 -0.002,582 -0.023,583 0.05,584 -0.023,585 -0.039,586 0.014,587 -0.041,588 -0.027,589 0.121,590 0.126,591 0.037,592 0.155,593 -0.046,594 -0.012,595 -0.115,596 -0.041,597 -0.064,598 -0.087,599 -0.065,600 -0.1,601 -0.095,602 -0.15,603 -0.045,604 -0.132,605 0.004,606 -0.013,607 -0.029,608 -0.032,609 -0.008,610 -0.041,611 -0.038,612 -0.129,613 -0.045,614 -0.141,615 -0.04,616 -0.108,617 0.005,618 0.187,619 0.055,620 0.149,621 0.037,622 0.132,623 0.098,624 -0.141,625 -0.014,626 -0.158,627 0.053,628 -0.125,629 2.007,630 5.8,631 0.76,632 18.49,633 1.016,634 1.126,635 2.812,636 7.909,637 0.688,638 3.367,639 3.738,640 4.078,641 4.443,642 4.762,643 4.905,644 5.063,645 5.236,646 5.268,647 5.242,648 5.175,649 0.672,650 337.38,651 3.367,652 4.934,653 5.82,654 6.739,655 7.653,656 8.584,657 9.51,658 10.446,659 11.379,660 12.32,661 7.3,668 1,669 1,670 1,674 2,675 7,680 5,681 1,682 16,697 1,698 1,699 41,700 18,701 2,702 28,704 44,705 19,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 3,724 2,728 1,730 1,731 2,732 1,733 1,734 1,736 16,737 5,738 1,739 6,743 3,747 0.5,748 2,756 1,759 1,760 3,762 2,777 2,781 2,783 1,785 25,789 1,790 1,791 1,800 1,801 4.9,804 1,806 1,808 12.833,809 8.21,810 5.444,811 2.336,812 3.524,813 1.46,814 1.027,815 3.813,816 11.181,817 3.664,818 4.341,819 5.005,820 5.7,821 6.323,822 6.737,823 7.177,824 7.653,825 7.925,826 8.178,827 0.833,828 44,829 9.254,831 4.053,832 7.92,833 17.335,835 14.396,837 2.42,838 60.5,841 1,842 176.567,843 123.819,844 36.45,846 36.145,847 14.96,849 123.819,850 212.711,851 51.41,852 19.708,853 19.994,854 66.334,855 32.606,856 52.871,857 19.861,858 176.567,860 176.567,861 160.269,862 51.105,865 191.527,866 36.145,869 47.381,870 112.888,873 191.527,874 72.595,875 123.819,878 176.567,879 37.777,880 87.941,881 17.888,882 67.768,883 176.567,884 87.555,885 123.819,887 0.588,888 0.356,889 0.206,890 0.126,891 22,892 10,893 0.068,894 3,895 2,896 1.211,897 3.548,898 225.176,899 0.211,900 19,901 116.096,904 15.854,905 6.012,906 2.609,907 1.481,908 85.656,909 12.206,914 2.567,915 1.895,916 17.888,917 387.94,918 38,922 12.462,924 4.041,925 0.37,926 41.658,927 46.16,928 0.31,929 0.712,930 0.858,931 0.948,932 0.948,933 0.948,934 4.92,935 1.492,936 5.832,937 4.617,938 4.419,939 5.027,940 1.819,941 6.718,942 4.353,943 6.168,944 1.216,945 7.433,946 4.346,947 4.111,948 4.987,950 7.763,951 4.008,952 7.51,953 0.922,954 9.135,955 2.695,956 6.075,957 7.334,958 1.576,959 10.942,960 5.954,961 8.891,962 0.43,963 10.898,964 2.406,965 6.581,966 8.125,968 12.876,969 6.426,970 10.304,971 0.162,972 12.702,973 0.626,974 8.049,975 9.974,976 1.405,977 15.613,978 7.877,979 11.743,981 14.537,982 0.357,983 8.944,984 11.174,986 17.93,987 8.742,988 13.204,989 -0.309,990 16.397,992 10.234,993 12.834,994 1.278,995 20.532,996 10.012,997 3.439,998 -0.632,999 18.276,1000 -0.811,1001 11.313,1002 14.233,1004 22.999,1005 11.062,1006 2.704,1007 12.827,1008 20.173,1009 -1.48,1010 12.547,1011 15.823,1012 1.178,1013 25.562,1014 12.274,1015 2.6,1016 8.493,1017 22.083,1018 4.791,1019 13.71,1020 17.314,1022 28.084,1023 13.408,1024 2.404,1025 8.37,1026 24.004,1027 3.676,1028 14.932,1029 18.883,1030 1.098,1031 30.637,1032 14.605,1033 2.148,1034 7.533,1035 25.936,1036 3.513,1037 16.131,1038 20.414,1040 33.178,1041 15.777,1042 2.015,1043 6.052,1044 27.876,1045 3.173,1046 17.354,1047 21.977,1048 1.033,1049 35.73,1050 16.973,1051 1.599,1052 5.761,1053 29.822,1054 2.815,1055 18.571,1056 23.528,1058 38.277,1059 18.163,1060 6068,1061 10741,1062 18.611,1063 28.193,1064 42.687,1065 44.28,1066 44.706,1067 42.346,1068 42.261,1069 57.043,1070 6.287,1071 128.167,1072 40.764,1073 5.682,1074 5.714,1075 6.821,1076 5.447,1077 5.439,1078 7.791,1079 1.96,1080 20.355,1081 5.346,1082 12.479,1083 1.525,1084 1.581,1085 1.597,1086 1.512,1087 1.509,1088 2.037,1089 0.225,1090 4.577,1091 1.456,1092 4.185,1093 4.214,1094 4.163,1095 4.09,1096 8.201,1097 4.104,1098 3.895,1099 3.917,1100 3.836,1101 3.828,1102 7.429,1103 3.826,1104 3.649,1105 3.696,1106 3.605,1107 3.489,1108 4.927,1109 3.508,1110 3.386,1111 3.45,1112 3.295,1113 3.186,1114 4.835,1115 3.199,1116 3.24,1117 3.305,1118 3.087,1119 2.984,1120 4.574,1121 2.995,1122 3.15,1123 3.211,1124 3.047,1125 2.903,1126 4.375,1127 2.917,1128 2.968,1129 3.024,1130 2.842,1131 2.812,1132 4.002,1133 2.826,1134 2.869,1135 2.93,1136 2.747,1137 2.735,1138 3.766,1139 2.733,1140 0.173,1141 0.133,1142 0.258,1143 0.158,1144 0.123,1145 4.842,1146 0.171,1147 3.714,1148 0.035,1149 7.229,1150 0.458,1151 4.411,1152 0.12,1153 3.439,1154 4.791,1155 0.98,1156 12.827,1157 3.346,1158 1.955,1159 1.931,1160 2.046,1161 2.06,1162 1.218,1163 2.055,1164 1.898,1165 1.876,1166 1.985,1167 1.994,1168 1.133,1169 1.988,1170 1.719,1171 1.683,1172 1.818,1173 1.902,1174 0.927,1175 1.878,1176 1.327,1177 1.263,1178 1.593,1179 1.569,1180 0.694,1181 1.576,1182 1.193,1183 1.123,1184 1.539,1185 1.485,1186 0.571,1187 1.506,1188 1.086,1189 1.021,1190 1.352,1191 1.365,1192 0.459,1193 1.363,1194 0.926,1195 0.879,1196 1.139,1197 1.11,1198 0.173,1199 1.129,1200 0.845,1201 0.797,1202 1.087,1203 1.029,1204 0.146,1205 1.04,1206 4.043,1208 5.398,1209 2.398,1210 6.959,1211 4.949,1212 8.62,1213 7.261,1214 10.336,1216 3.417,1218 13.8,1222 0.468,1223 2.522,1224 5.271,1231 27.565,1232 68.194,1233 156.357,1234 188.498,1235 208.15,1236 208.15,1237 208.15,1238 42.806,1239 7.657,1240 59.91,1241 59.91,1242 23,1243 12.816,1244 4.248,1245 3.459,1246 35.587,1247 75,1248 90,1249 0.234,1250 166.678,1251 288.01,1252 398.455,1253 20554,1254 2.4,1255 17.552,1256 0.702,1257 0.553,1258 16.681,1259 13.837,1260 12.08,1261 0.431,1262 0.281,1263 7.742,1264 11.516,1265 7.517,1266 6.23,1267 11.686,1268 7.879,1269 11.139,1270 0.272,1271 0.145,1272 10.505,1273 5.961,1274 9.666,1275 0.167,1276 0.076,1277 9.324,1278 4.402,1279 8.496,1280 0.101,1281 0.039,1282 8.271,1283 3.29,1284 7.568,1285 0.065,1286 0.021,1287 7.317,1288 2.389,1289 0.35,1290 76.483,1291 0.232,1292 23.479,1293 0.7,1294 138,1295 471.205,1296 153.113,1297 427.662,1298 581.66,1299 400,1300 168,1301 429.488,1302 183.277,1303 429.746,1304 632.1,1305 403,1306 5} {0 CHEMBL2088672,1 1.689,2 9.963,3 3.086,4 9.525,5 99.76,6 8.474,7 0.533,8 3.904,9 4.004,10 3.579,11 3.435,12 5.154,13 3.45,14 4.406,15 4.543,16 3.958,17 3.831,18 5.721,19 3.842,20 4.59,21 4.731,22 4.066,23 3.988,24 5.837,25 3.983,26 4.738,27 4.909,28 4.034,29 4.033,30 5.926,31 4.003,32 4.756,33 4.958,34 3.941,35 4.002,36 5.888,37 3.948,38 4.683,39 4.87,40 3.909,41 3.932,42 5.864,43 3.888,44 4.659,45 4.859,46 3.734,47 3.796,48 5.87,49 3.735,50 4.452,51 4.668,52 3.503,53 3.574,54 5.596,55 3.506,56 0.193,57 0.658,58 6.749,59 3.613,60 5.968,61 4.124,62 0.416,63 1.026,64 13.79,65 5.973,66 50.992,67 7.007,68 0.428,69 1.24,70 15.998,71 7.195,72 31.277,73 8.376,74 0.5,75 1.369,76 20.695,77 8.508,78 46.795,79 10.119,80 0.575,81 1.329,82 23.83,83 9.189,84 64.64,85 11.601,86 0.521,87 1.247,88 21.021,89 8.404,90 59.289,91 10.339,92 0.805,93 1.146,94 22.705,95 7.841,96 72.233,97 9.595,98 0.393,99 0.96,100 17.833,101 6.512,102 41.152,103 8.42,104 30,105 44,106 0.288,107 0.667,108 0.779,109 0.841,110 0.841,111 0.841,112 3.341,113 0.828,114 -3.75,115 -3.71,116 -3.53,119 44.2,120 1,123 1,124 1,133 7,134 3,135 2,143 2,146 1,147 1,155 2,157 1,159 7,161 1,162 10,164 1,168 8,171 2,172 14,174 1,176 2,178 6,181 1,182 11,187 1,190 5,193 1,194 7,199 3,202 9,205 2,206 6,211 3,213 12,216 3,217 5,220 1,222 2,224 6,229 7,237 2,241 1,242 10,245 1,255 1130,256 18.162,257 18.162,258 18.162,259 18.162,260 18.162,261 15.619,262 24.412,263 10.353,264 18.539,265 14.711,266 14.711,267 14.711,268 14.711,269 14.711,270 10.747,271 31.36,272 4.807,273 15.19,274 3.737,275 1.519,276 0.864,277 0.5,278 0.5,279 0.5,280 4.035,283 1,284 1,285 580,286 3.162,288 44.616,289 184.037,291 168.345,295 1.303,296 32.445,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 60,307 269,308 4.843,309 3.778,310 7.229,311 4.412,312 3.439,313 4.791,314 2.612,315 12.829,316 3.347,317 4.255,318 3.714,319 6.054,320 3.764,321 2.787,322 3.952,323 0.98,324 8.512,325 2.722,326 4.021,327 3.206,328 6.009,329 3.606,330 2.627,331 3.529,332 0.86,333 8.41,334 2.571,335 3.873,336 2.891,337 5.923,338 3.464,339 2.503,340 3.307,341 0.782,342 8.155,343 2.405,344 3.676,345 2.81,346 5.328,347 3.223,348 2.235,349 3.097,350 0.522,351 6.714,352 2.201,353 3.564,354 2.563,355 5.247,356 3.165,357 2.209,358 2.856,360 6.547,361 2.094,362 3.119,363 2.04,364 4.807,365 2.583,366 1.611,367 2.314,369 4.745,370 1.563,371 2.975,372 1.802,373 4.585,374 2.504,375 1.533,376 2.094,378 4.384,379 1.479,380 2.859,381 1.764,382 3.848,383 2.243,384 1.246,385 1.931,386 2.986,387 1.241,388 2.5,389 1.105,390 3.718,391 2,392 1,393 1.5,394 2.438,395 1,396 2.354,397 1.01,398 3.414,399 1.918,400 0.941,401 1.283,402 2.275,403 0.917,404 1.642,405 1,406 3.068,407 1.35,408 0.477,409 0.535,411 0.764,412 0.411,413 1.472,414 1,415 2.905,416 1.193,417 0.155,418 0.184,420 0.337,421 0.16,422 1.328,423 0.902,424 2.762,425 0.998,426 0.025,427 0.032,429 0.065,430 0.024,431 1,432 0.321,433 2.559,434 0.47,435 -0.515,436 -0.661,438 -1.319,439 -0.498,440 12.433,441 0.46,442 0.768,443 0.028,444 38.25,445 1.417,446 20.5,447 0.759,448 17.75,449 0.657,450 19.714,451 0.73,452 28.367,453 0.66,454 30.273,455 1.121,456 7.851,457 0.291,458 5.14,459 0.19,460 0.161,462 0.426,466 0.512,467 1.095,468 0.637,469 0.966,470 0.497,471 0.863,472 0.742,473 1.064,474 0.689,475 0.84,476 0.442,477 0.764,478 0.777,479 1.126,480 0.893,481 1.051,482 0.625,483 1.008,484 0.923,485 1.119,486 1.055,487 1.132,488 0.854,489 1.121,490 0.827,491 0.96,492 0.969,493 1.003,494 0.838,495 1.017,496 0.859,497 1.042,498 1.017,499 1.116,500 0.848,501 1.11,502 1.058,503 0.921,504 1.2,505 0.972,506 0.977,507 1.1,508 0.887,509 1.241,510 1.112,511 1.276,512 0.816,513 1.252,514 5.5,515 0.136,516 3.333,517 2.674,518 2.085,519 1.348,520 0.689,521 0.397,522 0.346,523 0.255,524 7950,525 27232,526 2.075,527 37.2,529 12,532 1,533 3,536 1.706,537 1.906,538 3.233,539 -0.272,540 1,541 1,545 72.619,546 1.689,547 3.908,548 4.562,549 4.926,550 4.926,551 4.926,552 2.656,553 4.106,554 4.72,555 3.403,556 1194.58,557 8.228,558 14645.7,560 1,562 1,563 233.329,564 1.506,565 4.668,566 0.183,567 0.009,568 0.076,569 0.056,570 0.046,571 0.033,572 0.018,573 0.013,574 0.014,575 0.013,576 0.46,577 0.33,578 1,579 0.905,580 131.168,581 0.147,582 0.06,583 0.063,584 0.021,585 -0.011,586 0.01,587 0.05,588 0.009,589 0.132,590 0.15,591 0.165,592 0.161,593 -0.022,594 -0.04,595 -0.084,596 -0.072,597 0.015,598 -0.091,599 -0.126,600 -0.093,601 -0.165,602 -0.15,603 -0.073,604 -0.16,605 -0.047,606 -0.001,607 -0.002,608 0.007,609 -0.048,610 0.015,611 -0.043,612 -0.063,613 -0.076,614 -0.118,615 -0.061,616 -0.108,617 -0.027,618 0.02,619 -0.176,620 0.006,621 -0.082,622 -0.103,623 -0.073,624 -0.293,625 -0.104,626 -0.294,627 -0.057,628 -0.221,629 2.434,630 5.55,631 0.704,632 23.254,633 1.024,634 1.124,635 2.517,636 6.333,637 0.684,638 3.434,639 3.807,640 4.143,641 4.477,642 4.804,643 4.977,644 5.142,645 5.313,646 5.398,647 5.416,648 5.798,649 0.677,650 364.39,651 3.434,652 5.004,653 5.889,654 6.804,655 7.716,656 8.642,657 9.568,658 10.5,659 11.432,660 12.37,661 9.3,668 1,669 1,670 1,672 1,674 2,675 7,680 5,681 1,682 16,694 1,697 1,699 43,700 20,701 2,702 30,704 46,705 19,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 3,724 4,726 1,728 3,730 1,731 2,732 1,733 1,736 16,737 6,738 1,739 8,743 4,747 0.5,748 4,756 1,759 1,760 3,762 2,777 2,781 2,785 27,789 1,790 1,791 1,801 9.3,804 1,806 1,807 2,808 14.167,809 8.6,810 5.889,811 2.417,812 3.684,813 1.471,814 1.003,815 4.264,816 11.507,817 3.761,818 4.44,819 5.082,820 5.751,821 6.38,822 6.826,823 7.27,824 7.727,825 8.053,826 8.363,827 0.857,828 48,829 9.948,831 4.345,832 8.037,833 18.444,835 15.204,837 2.537,838 68.5,841 1,842 176.567,843 117.454,844 42.12,846 86.892,849 117.454,850 263.458,851 42.12,852 25.378,853 19.994,854 66.334,855 32.606,856 46.506,857 4.901,858 176.567,859 50.747,860 176.567,861 159.575,862 86.892,865 176.567,866 36.145,867 50.747,869 47.381,870 106.523,871 5.67,873 176.567,874 129.012,875 117.454,878 176.567,879 31.412,880 93.611,881 17.888,882 103.555,883 176.567,884 129.012,885 117.454,887 0.592,888 0.358,889 0.195,890 0.118,891 23,892 11,893 0.087,894 4,895 2,896 1.211,897 3.715,898 247.106,899 0.211,900 19,901 122.382,904 17.403,905 6.615,906 2.91,907 1.744,908 121.443,909 11.941,914 2.864,915 1.902,916 17.888,917 423.033,918 42,920 -0.434,922 34.265,924 4.097,925 0.429,926 44.018,927 48.322,928 0.311,929 0.72,930 0.841,931 0.908,932 0.908,933 0.908,934 5.017,935 1.533,936 5.905,937 4.745,938 4.489,939 5.127,940 2.855,941 6.79,942 4.432,943 6.271,944 1.246,945 7.512,946 4.384,947 4.205,948 5.139,949 2.361,950 7.847,951 4.122,952 7.619,953 1,954 9.218,955 2.986,956 6.151,957 7.443,958 4.213,959 11.004,960 6.039,961 9.005,962 0.941,963 10.983,964 2.438,965 6.673,966 8.27,967 4.506,968 12.93,969 6.533,970 10.421,971 0.477,972 12.787,973 2.275,974 8.127,975 10.085,976 5.956,977 15.651,978 7.963,979 11.861,980 0.155,981 14.62,982 0.764,983 9.023,984 11.296,985 6.556,986 17.958,987 8.83,988 13.322,989 0.025,990 16.476,991 0.337,992 10.302,993 12.933,994 7.795,995 20.551,996 10.087,997 3.439,998 -0.515,999 18.35,1000 0.065,1001 11.375,1002 14.329,1003 8.548,1004 23.013,1005 11.131,1006 2.787,1007 12.829,1008 20.24,1009 -1.319,1010 12.601,1011 15.905,1012 9.67,1013 25.572,1014 12.332,1015 2.627,1016 8.512,1017 22.144,1018 4.791,1019 13.757,1020 17.388,1021 10.509,1022 28.091,1023 13.459,1024 2.503,1025 8.41,1026 24.059,1027 3.952,1028 14.972,1029 18.945,1030 11.563,1031 30.643,1032 14.649,1033 2.235,1034 8.155,1035 25.984,1036 3.529,1037 16.166,1038 20.47,1039 12.452,1040 33.182,1041 15.815,1042 2.209,1043 6.714,1044 27.917,1045 3.307,1046 17.384,1047 22.025,1048 13.468,1049 35.733,1050 17.006,1051 1.611,1052 6.547,1053 29.858,1054 3.097,1055 18.596,1056 23.569,1057 14.386,1058 38.28,1059 18.192,1060 7724,1061 14421,1062 19.709,1063 29.409,1064 45.904,1065 48.365,1066 48.059,1067 45.595,1068 45.578,1069 62.809,1070 11.512,1071 138.323,1072 44.268,1073 5.682,1074 5.778,1075 6.775,1076 5.448,1077 5.439,1078 7.791,1079 4.612,1080 20.357,1081 5.347,1082 15.036,1083 1.53,1084 1.612,1085 1.602,1086 1.52,1087 1.519,1088 2.094,1089 0.384,1090 4.611,1091 1.476,1092 4.187,1093 4.215,1094 4.163,1095 4.091,1096 7.815,1097 4.105,1098 3.968,1099 3.993,1100 3.931,1101 3.853,1102 7.429,1103 3.859,1104 3.659,1105 3.698,1106 3.608,1107 3.496,1108 6.999,1109 3.516,1110 3.543,1111 3.579,1112 3.502,1113 3.234,1114 4.976,1115 3.276,1116 3.342,1117 3.394,1118 3.25,1119 3.041,1120 4.706,1121 3.089,1122 3.212,1123 3.27,1124 3.099,1125 2.938,1126 4.676,1127 2.965,1128 3.067,1129 3.145,1130 2.884,1131 2.8,1132 4.445,1133 2.808,1134 2.927,1135 2.986,1136 2.797,1137 2.749,1138 3.949,1139 2.772,1140 0.161,1141 0.126,1142 0.241,1143 0.147,1144 0.115,1145 4.843,1146 0.16,1147 3.778,1148 0.087,1149 7.229,1150 0.428,1151 4.412,1152 0.112,1153 3.439,1154 4.791,1155 2.612,1156 12.829,1157 3.347,1158 1.965,1159 1.941,1160 2.057,1161 2.104,1162 1.225,1163 2.081,1164 1.914,1165 1.894,1166 1.995,1167 2.017,1168 1.143,1169 2.006,1170 1.728,1171 1.691,1172 1.822,1173 1.946,1174 0.935,1175 1.9,1176 1.374,1177 1.323,1178 1.601,1179 1.702,1180 0.706,1181 1.645,1182 1.196,1183 1.151,1184 1.54,1185 1.546,1186 0.573,1187 1.526,1188 1.169,1189 1.097,1190 1.374,1191 1.447,1192 0.465,1193 1.463,1194 0.952,1195 0.892,1196 1.181,1197 1.316,1198 0.218,1199 1.291,1200 0.923,1201 0.87,1202 1.138,1203 1.097,1204 0.168,1205 1.12,1206 4.111,1208 5.468,1209 2.398,1210 7.029,1211 4.949,1212 8.686,1213 7.261,1214 10.396,1216 3.433,1222 0.4,1223 2.535,1224 5.325,1231 29.106,1232 72.619,1233 168.026,1234 196.168,1235 211.82,1236 211.82,1237 211.82,1238 49.176,1239 7.823,1240 105.73,1241 105.73,1242 23,1243 12.868,1244 4.392,1245 3.7,1246 39.995,1247 90,1248 107,1249 0.217,1250 177.34,1251 307.88,1252 424.468,1253 25216,1255 19.129,1256 0.708,1257 0.545,1258 19.129,1259 14.723,1260 12.99,1261 0.433,1262 0.276,1263 8.123,1264 12.296,1265 7.901,1266 6.555,1267 12.99,1268 8.279,1269 12.026,1270 0.273,1271 0.142,1272 12.026,1273 6.255,1274 10.455,1275 0.169,1276 0.075,1277 10.455,1278 4.66,1279 8.842,1280 0.102,1281 0.039,1282 8.842,1283 3.376,1284 7.776,1285 0.064,1286 0.02,1287 7.776,1288 2.475,1289 0.331,1290 82.98,1291 0.225,1292 25.345,1293 0.63,1294 148,1295 508.21,1296 165.459,1297 483.652,1298 652.86,1299 448,1300 180,1301 487.519,1302 198.185,1303 487.111,1304 710.59,1305 455,1306 5} {0 CHEMBL2088673,1 1.689,2 9.222,3 3.086,4 9.525,5 99.76,6 8.474,7 0.533,8 3.904,9 4.004,10 3.579,11 3.435,12 5.154,13 3.45,14 4.406,15 4.543,16 3.958,17 3.831,18 5.721,19 3.842,20 4.59,21 4.731,22 4.066,23 3.988,24 5.835,25 3.983,26 4.738,27 4.909,28 4.051,29 4.036,30 5.913,31 4.01,32 4.763,33 4.957,34 3.996,35 4.015,36 5.929,37 3.973,38 4.752,39 4.939,40 3.945,41 3.949,42 5.99,43 3.911,44 4.636,45 4.828,46 3.824,47 3.819,48 5.845,49 3.782,50 4.518,51 4.714,52 3.695,53 3.626,54 5.805,55 3.599,56 0.193,57 0.658,58 6.749,59 3.613,60 5.968,61 4.124,62 0.416,63 1.026,64 13.79,65 5.973,66 51.062,67 7.007,68 0.428,69 1.24,70 15.998,71 7.195,72 30.83,73 8.376,74 0.497,75 1.372,76 20.747,77 8.505,78 50.809,79 10.149,80 0.559,81 1.36,82 23.094,83 9.036,84 54.298,85 11.262,86 0.725,87 1.291,88 23.745,89 8.711,90 85.473,91 10.501,92 0.654,93 1.152,94 21.213,95 7.671,96 59.719,97 9.36,98 0.449,99 1.02,100 18.344,101 6.734,102 38.256,103 8.399,104 30,105 44,106 0.288,107 0.667,108 0.795,109 0.873,110 0.873,111 0.873,112 3.341,113 0.828,114 -3.75,115 -3.71,116 -3.53,119 44.2,120 1,123 1,124 1,133 7,134 3,135 2,143 2,146 1,147 1,155 2,157 1,159 7,161 1,162 10,164 1,168 8,171 2,172 14,174 1,176 2,178 6,181 1,182 10,187 1,190 5,193 2,194 8,199 3,202 9,205 3,206 6,211 3,213 9,216 1,217 7,220 1,222 1,224 7,228 1,229 12,232 1,234 1,237 3,241 3,242 7,245 2,250 1,255 1103,256 18.162,257 18.162,258 18.162,259 18.162,260 18.162,261 15.619,262 24.412,263 10.394,264 18.539,265 14.728,266 14.728,267 14.728,268 14.728,269 14.728,270 10.753,271 33.277,272 4.833,273 15.206,274 3.737,275 1.519,276 0.771,277 0.314,278 0.314,279 0.314,280 4.035,283 1,284 1,285 535,286 3.162,288 42.731,289 180.943,291 162.58,295 1.3,296 33.274,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 60,307 249,308 4.843,309 3.781,310 7.229,311 4.412,312 3.439,313 4.791,314 2.612,315 12.829,316 3.347,317 4.277,318 3.713,319 6.057,320 3.797,321 2.819,322 3.976,323 0.98,324 8.609,325 2.755,326 4.021,327 3.206,328 6.024,329 3.606,330 2.627,331 3.529,332 0.86,333 8.491,334 2.571,335 3.851,336 2.892,337 5.947,338 3.431,339 2.475,340 3.27,341 0.782,342 8.184,343 2.367,344 3.65,345 2.811,346 5.304,347 3.2,348 2.217,349 3.073,350 0.522,351 6.606,352 2.174,353 3.563,354 2.569,355 5.219,356 3.145,357 2.181,358 2.856,360 6.435,361 2.083,362 3.12,363 2.015,364 4.803,365 2.587,366 1.614,367 2.316,369 4.735,370 1.566,371 2.973,372 1.783,373 4.585,374 2.512,375 1.539,376 2.104,378 4.382,379 1.488,380 2.846,381 1.732,382 3.845,383 2.315,384 1.32,385 1.926,386 3.057,387 1.311,388 2.587,389 1.192,390 3.706,391 2,392 1,393 1.585,394 2.435,395 1,396 2.349,397 1.1,398 3.436,399 1.916,400 0.94,401 1.278,402 2.322,403 0.914,404 1.639,405 1.009,406 3.067,407 1.346,408 0.474,409 0.532,411 0.755,412 0.408,413 1.462,414 1,415 2.906,416 1.192,417 0.155,418 0.184,420 0.336,421 0.16,422 1.259,423 0.873,424 2.763,425 0.938,426 -0.036,427 -0.046,429 -0.1,430 -0.035,431 1,432 0.206,433 2.564,434 0.421,435 -0.545,436 -0.689,438 -1.332,439 -0.514,440 12.433,441 0.46,442 0.768,443 0.028,444 38.25,445 1.417,446 20.5,447 0.759,448 17.75,449 0.657,450 19.832,451 0.735,452 28.367,453 0.66,454 30.555,455 1.132,456 7.851,457 0.291,458 5.14,459 0.19,460 0.161,462 0.426,466 0.512,467 1.095,468 0.637,469 0.966,470 0.497,471 0.863,472 0.742,473 1.064,474 0.689,475 0.84,476 0.442,477 0.764,478 0.777,479 1.126,480 0.893,481 1.051,482 0.628,483 1.008,484 0.915,485 1.132,486 1.018,487 1.116,488 0.862,489 1.092,490 0.824,491 0.981,492 0.973,493 1.051,494 0.807,495 1.046,496 1.061,497 0.985,498 1.08,499 0.999,500 1.209,501 1.044,502 1.012,503 1.036,504 1.068,505 1.029,506 0.823,507 1.057,508 0.969,509 1.246,510 1.054,511 1.316,512 1.006,513 1.226,514 5.5,515 0.103,516 3.111,517 2.799,518 2.085,519 1.237,520 0.652,521 0.509,522 0.42,523 0.186,524 7698,525 26008,526 2.075,527 37.2,529 12,532 1,533 3,536 1.709,537 1.906,538 3.17,539 -0.272,540 1,541 1,545 72.619,546 1.689,547 3.908,548 4.655,549 5.112,550 5.112,551 5.112,552 2.639,553 4.236,554 4.724,555 3.31,556 1161.96,557 8.245,558 14231.4,560 1,562 1,563 233.329,564 1.506,565 4.668,566 0.183,567 0.01,568 0.071,569 0.058,570 0.045,571 0.029,572 0.016,573 0.015,574 0.014,575 0.009,576 0.451,577 0.33,578 1,579 0.905,580 130.396,581 0.147,582 0.06,583 0.063,584 0.021,585 -0.011,586 0.01,587 0.05,588 0.009,589 0.132,590 0.15,591 0.166,592 0.161,593 -0.022,594 -0.04,595 -0.084,596 -0.072,597 0.012,598 -0.091,599 -0.117,600 -0.105,601 -0.127,602 -0.133,603 -0.08,604 -0.13,605 -0.035,606 0.005,607 -0.028,608 -0.057,609 -0.026,610 -0.039,611 -0.08,612 -0.028,613 -0.097,614 -0.012,615 -0.151,616 -0.055,617 -0.046,618 -0.076,619 -0.079,620 -0.047,621 -0.033,622 -0.066,623 -0.022,624 -0.283,625 -0.055,626 -0.351,627 -0.03,628 -0.238,629 2.429,630 5.563,631 0.704,632 21.783,633 1.024,634 1.124,635 2.517,636 6.333,637 0.684,638 3.434,639 3.807,640 4.143,641 4.489,642 4.812,643 4.97,644 5.159,645 5.328,646 5.403,647 5.407,648 5.56,649 0.677,650 364.39,651 3.434,652 5.004,653 5.889,654 6.806,655 7.719,656 8.647,657 9.573,658 10.506,659 11.439,660 12.377,661 9.3,668 1,669 1,670 1,672 1,674 2,675 7,680 5,681 1,682 16,694 1,697 1,699 43,700 20,701 2,702 30,704 46,705 19,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 3,724 4,726 1,728 3,730 1,731 2,732 1,733 1,736 16,737 6,738 1,739 8,743 4,747 0.5,748 4,756 1,759 1,760 3,762 2,777 2,781 2,785 27,789 1,790 1,791 1,801 9.3,804 1,806 1,807 2,808 14.167,809 8.6,810 5.889,811 2.417,812 3.716,813 1.475,814 1.003,815 4.264,816 11.54,817 3.761,818 4.44,819 5.082,820 5.758,821 6.388,822 6.812,823 7.287,824 7.735,825 8.056,826 8.351,827 1,828 48,829 9.959,831 4.358,832 8.037,833 18.444,835 15.204,837 2.537,838 68.5,841 1,842 176.567,843 117.454,844 42.12,846 86.892,849 117.454,850 263.458,851 42.12,852 25.378,853 19.994,854 66.334,855 32.606,856 46.506,857 4.901,858 176.567,859 50.747,860 176.567,861 159.575,862 86.892,865 176.567,866 36.145,867 50.747,869 47.381,870 106.523,871 5.67,873 176.567,874 129.012,875 117.454,878 176.567,879 31.412,880 93.611,881 17.888,882 103.555,883 176.567,884 129.012,885 117.454,887 0.591,888 0.357,889 0.199,890 0.121,891 23,892 11,893 0.087,894 4,895 2,896 1.211,897 3.683,898 249.078,899 0.211,900 19,901 126.382,904 17.403,905 6.615,906 2.91,907 1.685,908 121.443,909 11.977,914 2.654,915 1.858,916 17.888,917 423.033,918 42,920 -0.429,922 34.705,924 4.089,925 0.386,926 44.018,927 48.322,928 0.311,929 0.72,930 0.858,931 0.942,932 0.942,933 0.942,934 5.017,935 1.539,936 5.905,937 4.735,938 4.489,939 5.127,940 2.855,941 6.792,942 4.432,943 6.271,944 1.32,945 7.512,946 4.382,947 4.205,948 5.139,949 2.361,950 7.847,951 4.122,952 7.619,953 1,954 9.218,955 3.057,956 6.151,957 7.443,958 4.213,959 11.011,960 6.039,961 9.005,962 0.94,963 10.984,964 2.435,965 6.673,966 8.27,967 4.506,968 12.935,969 6.533,970 10.421,971 0.474,972 12.789,973 2.322,974 8.128,975 10.086,976 5.956,977 15.658,978 7.965,979 11.862,980 0.155,981 14.623,982 0.755,983 9.026,984 11.299,985 6.556,986 17.964,987 8.834,988 13.323,989 -0.036,990 16.479,991 0.336,992 10.307,993 12.937,994 7.795,995 20.557,996 10.092,997 3.439,998 -0.545,999 18.354,1000 -0.1,1001 11.381,1002 14.334,1003 8.548,1004 23.017,1005 11.138,1006 2.819,1007 12.829,1008 20.244,1009 -1.332,1010 12.607,1011 15.909,1012 9.67,1013 25.575,1014 12.339,1015 2.627,1016 8.609,1017 22.148,1018 4.791,1019 13.764,1020 17.393,1021 10.509,1022 28.093,1023 13.467,1024 2.475,1025 8.491,1026 24.063,1027 3.976,1028 14.979,1029 18.951,1030 11.563,1031 30.645,1032 14.657,1033 2.217,1034 8.184,1035 25.988,1036 3.529,1037 16.173,1038 20.475,1039 12.452,1040 33.184,1041 15.823,1042 2.181,1043 6.606,1044 27.921,1045 3.27,1046 17.39,1047 22.03,1048 13.468,1049 35.734,1050 17.014,1051 1.614,1052 6.435,1053 29.862,1054 3.073,1055 18.603,1056 23.573,1057 14.386,1058 38.281,1059 18.199,1060 7490,1061 13893,1062 19.709,1063 29.409,1064 45.961,1065 48.542,1066 48.045,1067 45.611,1068 45.599,1069 62.839,1070 11.512,1071 138.352,1072 44.289,1073 5.683,1074 5.781,1075 6.777,1076 5.448,1077 5.439,1078 7.791,1079 4.612,1080 20.357,1081 5.347,1082 14.869,1083 1.532,1084 1.618,1085 1.601,1086 1.52,1087 1.52,1088 2.095,1089 0.384,1090 4.612,1091 1.476,1092 4.187,1093 4.216,1094 4.164,1095 4.091,1096 7.815,1097 4.105,1098 3.968,1099 3.993,1100 3.932,1101 3.854,1102 7.429,1103 3.86,1104 3.659,1105 3.698,1106 3.607,1107 3.496,1108 6.999,1109 3.516,1110 3.528,1111 3.563,1112 3.487,1113 3.216,1114 4.976,1115 3.252,1116 3.357,1117 3.411,1118 3.264,1119 3.038,1120 4.706,1121 3.103,1122 3.213,1123 3.271,1124 3.099,1125 2.938,1126 4.678,1127 2.965,1128 3.106,1129 3.181,1130 2.923,1131 2.888,1132 4.447,1133 2.889,1134 2.947,1135 3.006,1136 2.818,1137 2.8,1138 3.958,1139 2.802,1140 0.161,1141 0.126,1142 0.241,1143 0.147,1144 0.115,1145 4.843,1146 0.16,1147 3.781,1148 0.087,1149 7.229,1150 0.428,1151 4.412,1152 0.112,1153 3.439,1154 4.791,1155 2.612,1156 12.829,1157 3.347,1158 1.966,1159 1.941,1160 2.057,1161 2.106,1162 1.226,1163 2.082,1164 1.914,1165 1.894,1166 1.995,1167 2.016,1168 1.143,1169 2.006,1170 1.727,1171 1.69,1172 1.821,1173 1.943,1174 0.934,1175 1.898,1176 1.361,1177 1.307,1178 1.6,1179 1.694,1180 0.705,1181 1.633,1182 1.196,1183 1.156,1184 1.539,1185 1.557,1186 0.573,1187 1.53,1188 1.171,1189 1.098,1190 1.366,1191 1.45,1192 0.464,1193 1.472,1194 1.056,1195 0.994,1196 1.262,1197 1.347,1198 0.213,1199 1.341,1200 0.925,1201 0.876,1202 1.138,1203 1.11,1204 0.169,1205 1.129,1206 4.111,1208 5.468,1209 2.398,1210 7.029,1211 4.949,1212 8.687,1213 7.261,1214 10.399,1216 3.413,1222 0.32,1223 2.522,1224 5.32,1231 29.106,1232 72.619,1233 168.026,1234 200.168,1235 219.82,1236 219.82,1237 219.82,1238 50.236,1239 7.823,1240 105.73,1241 105.73,1242 23,1243 12.875,1244 4.392,1245 3.7,1246 39.864,1247 87,1248 94,1249 0.225,1250 177.34,1251 307.88,1252 424.468,1253 25216,1255 19.129,1256 0.708,1257 0.545,1258 19.129,1259 14.723,1260 12.99,1261 0.433,1262 0.276,1263 8.123,1264 12.296,1265 7.901,1266 6.557,1267 12.99,1268 8.279,1269 12.038,1270 0.274,1271 0.142,1272 12.038,1273 6.258,1274 10.387,1275 0.168,1276 0.075,1277 10.387,1278 4.635,1279 8.903,1280 0.101,1281 0.039,1282 8.903,1283 3.422,1284 7.922,1285 0.065,1286 0.02,1287 7.922,1288 2.482,1289 0.339,1290 82.98,1291 0.225,1292 25.156,1293 0.664,1294 148,1295 508.21,1296 165.459,1297 483.717,1298 652.88,1299 448,1300 180,1301 487.519,1302 198.185,1303 487.247,1304 710.84,1305 455,1306 5} {0 CHEMBL2088674,1 1.572,2 9.846,3 3.071,4 9.429,5 98.173,6 8.2,7 0.552,8 3.861,9 3.965,10 3.518,11 3.448,12 5.081,13 3.447,14 4.361,15 4.509,16 3.887,17 3.837,18 5.5,19 3.827,20 4.553,21 4.699,22 4.007,23 3.997,24 5.749,25 3.969,26 4.681,27 4.864,28 3.971,29 4.031,30 5.794,31 3.979,32 4.717,33 4.929,34 3.903,35 4,36 5.805,37 3.933,38 4.665,39 4.853,40 3.874,41 3.937,42 5.836,43 3.881,44 4.612,45 4.821,46 3.676,47 3.804,48 5.78,49 3.726,50 4.409,51 4.635,52 3.386,53 3.599,54 5.506,55 3.495,56 0.059,57 0.618,58 6.823,59 3.509,60 8.944,61 4.119,62 0.21,63 0.983,64 13.68,65 5.838,66 20.583,67 7.039,68 0.282,69 1.198,70 16.134,71 7.088,72 29.888,73 8.573,74 0.235,75 1.35,76 19.824,77 8.182,78 31.193,79 10.259,80 0.324,81 1.332,82 23.015,83 8.961,84 43.86,85 11.6,86 0.316,87 1.237,88 21.11,89 8.485,90 50.555,91 10.458,92 0.53,93 1.157,94 21.67,95 7.856,96 57.972,97 9.671,98 0.23,99 0.956,100 17.474,101 6.694,102 34.805,103 8.685,104 21,105 42,106 0.27,107 0.666,108 0.781,109 0.845,110 0.845,111 0.845,112 3.306,113 0.845,114 -3.31,115 -3.3,116 -3.16,119 47.6,120 1,123 1,124 1,133 7,134 4,135 1,143 2,146 1,147 2,157 1,159 9,162 9,164 1,168 10,171 2,172 10,174 1,176 2,178 7,181 1,182 8,187 1,190 5,193 1,194 7,199 3,202 9,205 1,206 6,211 3,213 12,216 2,217 5,220 1,222 2,224 9,229 5,234 1,237 4,242 6,250 1,255 1008,256 17.826,257 17.826,258 17.826,259 17.826,260 17.826,261 15.494,262 22.783,263 10.216,264 18.156,265 14.17,266 14.17,267 14.17,268 14.17,269 14.17,270 10.416,271 28.56,272 4.687,273 14.591,274 3.82,275 1.507,276 0.837,277 0.465,278 0.465,279 0.465,280 4.002,283 1,284 1,285 555,286 2.828,288 41.489,289 173.268,291 157.638,295 1.254,296 23.14,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 56,307 256,308 4.843,309 4.057,310 7.229,311 4.412,312 3.439,313 4.791,314 2.035,315 12.829,316 3.347,317 4.106,318 3.714,319 6.053,320 3.661,321 2.67,322 3.694,323 0.98,324 8.509,325 2.649,326 4.021,327 3.207,328 6.005,329 3.605,330 2.626,331 3.527,332 0.86,333 8.372,334 2.57,335 3.827,336 2.897,337 5.473,338 3.385,339 2.422,340 3.202,341 0.782,342 7.237,343 2.331,344 3.606,345 2.814,346 5.281,347 3.188,348 2.215,349 2.865,350 0.522,351 6.584,352 2.149,353 3.562,354 2.604,355 5.119,356 3.097,357 2.115,358 2.837,360 6.239,361 2.059,362 3.116,363 2.29,364 4.795,365 2.574,366 1.601,367 2.303,369 4.721,370 1.555,371 2.979,372 1.86,373 4.584,374 2.487,375 1.517,376 1.99,378 4.379,379 1.461,380 2.873,381 1.773,382 3.787,383 2,384 1,385 1.5,386 2.514,387 1,388 2.5,389 1.107,390 3.414,391 1.946,392 0.968,393 1.32,394 2.275,395 0.944,396 2.356,397 1.011,398 3.121,399 1.534,400 0.588,401 1.052,402 1.001,403 0.553,404 1.643,405 1,406 2.912,407 1.336,408 0.456,409 0.529,411 0.706,412 0.397,413 1.477,414 0.923,415 2.796,416 1.19,417 0.155,418 0.184,420 0.335,421 0.159,422 1.35,423 0.451,424 2.696,425 0.932,426 -0.031,427 -0.043,429 -0.069,430 -0.03,431 0.901,432 -0.01,433 2.499,434 0.449,435 -0.528,436 -0.684,438 -1.28,439 -0.505,440 12.267,441 0.472,442 0.64,443 0.025,444 37.25,445 1.433,446 20.5,447 0.788,448 16.75,449 0.644,450 18.998,451 0.731,452 26.133,453 0.622,454 27.923,455 1.074,456 7.539,457 0.29,458 5.078,459 0.195,460 0.141,462 0.399,466 0.71,467 1.084,468 0.682,469 0.962,470 0.502,471 0.843,472 0.957,473 0.982,474 0.735,475 0.79,476 0.528,477 0.737,478 0.866,479 1.083,480 0.932,481 1.02,482 0.74,483 0.997,484 0.902,485 1.136,486 1.048,487 1.137,488 0.852,489 1.113,490 0.904,491 0.94,492 0.964,493 0.985,494 0.919,495 0.98,496 1.156,497 1.086,498 1.061,499 1.125,500 1.193,501 1.094,502 1.276,503 0.863,504 1.21,505 0.97,506 1.106,507 1.065,508 1.023,509 1.084,510 1.183,511 1.18,512 0.975,513 1.204,514 5,515 0.095,516 2.889,517 2.424,518 2.045,519 1.23,520 0.689,521 0.397,522 0.322,523 0.15,524 7135,525 21519,526 2.101,527 38.1,529 12,532 1,533 3,536 1.697,537 1.95,538 3.199,539 -0.332,540 1,541 1,545 66.039,546 1.572,547 3.885,548 4.555,549 4.928,550 4.928,551 4.928,552 2.627,553 4.393,554 4.665,555 3.335,556 1083.85,557 8.124,558 12860.5,559 1,560 1,562 1,563 226.477,564 1.46,565 4.624,566 0.172,567 0.009,568 0.069,569 0.053,570 0.048,571 0.031,572 0.018,573 0.013,574 0.015,575 0.009,576 0.436,577 0.5,578 1,579 0.881,580 124.227,581 0.017,582 -0.014,583 0.054,584 -0.021,585 0.006,586 0.012,587 -0.036,588 0.048,589 0.118,590 0.166,591 0.025,592 0.167,593 0.035,594 -0.048,595 -0.088,596 -0.073,597 0.004,598 -0.102,599 -0.078,600 -0.118,601 -0.145,602 -0.183,603 -0.069,604 -0.174,605 -0.018,606 0.02,607 0.019,608 0.005,609 -0.021,610 0.021,611 -0.066,612 -0.144,613 -0.086,614 -0.136,615 -0.09,616 -0.12,617 -0.027,618 0.083,619 -0.173,620 0.012,621 -0.06,622 -0.085,623 -0.11,624 -0.152,625 -0.162,626 -0.182,627 -0.085,628 -0.18,629 1.894,630 5.553,631 0.731,632 21.598,633 1.009,634 1.117,635 2.08,636 4.325,637 0.702,638 3.401,639 3.761,640 4.111,641 4.454,642 4.787,643 4.949,644 5.118,645 5.293,646 5.361,647 5.352,648 5.548,649 0.683,650 344.4,651 3.401,652 4.963,653 5.849,654 6.763,655 7.677,656 8.604,657 9.531,658 10.465,659 11.399,660 12.338,661 9.5,668 1,669 1,670 2,674 2,675 7,680 5,681 1,682 16,683 1,697 1,699 42,700 19,701 2,702 29,704 45,705 20,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,720 1,721 16,722 3,724 2,728 1,730 1,731 2,732 1,733 1,736 16,737 5,738 1,739 6,743 4,747 0.5,748 2,756 1,759 1,760 3,762 2,777 2,781 2,785 26,789 1,790 1,791 1,796 1,798 1,799 1,801 4.8,804 1,806 1,808 13.333,809 8.517,810 5.778,811 2.413,812 3.682,813 1.476,814 1.016,815 3.986,816 11.423,817 3.738,818 4.379,819 5.063,820 5.737,821 6.369,822 6.808,823 7.255,824 7.718,825 8.035,826 8.331,827 0.857,828 46,829 9.555,831 4.11,832 7.846,833 18.022,835 14.87,837 2.346,838 61,841 1,842 176.567,843 134.485,844 67.51,846 36.145,849 134.485,850 212.711,851 67.51,852 19.708,853 19.994,854 66.334,855 49.208,856 77.994,857 4.901,858 176.567,860 176.567,861 201.995,862 36.145,865 176.567,866 36.145,869 78.441,870 123.554,873 176.567,874 103.654,875 134.485,878 176.567,879 31.841,880 87.941,881 34.49,882 83.867,883 176.567,884 103.654,885 134.485,887 0.584,888 0.36,889 0.201,890 0.122,891 22,892 10,893 0.067,894 3,895 2,896 1.211,897 3.654,898 235.244,899 0.211,900 19,901 118.211,904 16.381,905 6.327,906 2.688,907 1.871,908 101.755,909 13.141,914 3.766,915 1.985,916 17.888,917 414.706,918 41,922 12.553,924 4.128,925 0.533,926 42.363,927 46.903,928 0.292,929 0.72,930 0.845,931 0.914,932 0.914,933 0.914,934 4.997,935 1.517,936 5.855,937 4.721,938 4.443,939 5.066,940 2.671,941 6.737,942 4.391,943 6.246,944 1,945 7.455,946 4.379,947 4.111,948 4.987,950 7.786,951 4.04,952 7.586,953 0.968,954 9.156,955 2.514,956 6.098,957 7.369,958 3.666,959 10.953,960 5.999,961 8.962,962 0.588,963 10.918,964 2.275,965 6.594,966 8.144,968 12.886,969 6.471,970 10.371,971 0.456,972 12.72,973 1.001,974 8.067,975 10.001,976 4.984,977 15.616,978 7.919,979 11.805,980 0.155,981 14.553,982 0.706,983 8.955,984 11.191,986 17.933,987 8.778,988 13.261,989 -0.031,990 16.41,991 0.335,992 10.245,993 12.852,994 6.382,995 20.533,996 10.045,997 3.439,998 -0.528,999 18.288,1000 -0.069,1001 11.319,1002 14.245,1004 23,1005 11.089,1006 2.67,1007 12.829,1008 20.182,1009 -1.28,1010 12.553,1011 15.835,1012 7.798,1013 25.563,1014 12.297,1015 2.626,1016 8.509,1017 22.09,1018 4.791,1019 13.713,1020 17.323,1022 28.085,1023 13.427,1024 2.422,1025 8.372,1026 24.01,1027 3.694,1028 14.934,1029 18.89,1030 9.218,1031 30.639,1032 14.621,1033 2.215,1034 7.237,1035 25.94,1036 3.527,1037 16.134,1038 20.42,1040 33.18,1041 15.791,1042 2.115,1043 6.584,1044 27.879,1045 3.202,1046 17.356,1047 21.983,1048 10.638,1049 35.731,1050 16.986,1051 1.601,1052 6.239,1053 29.825,1054 2.865,1055 18.573,1056 23.532,1058 38.279,1059 18.174,1060 6912,1061 12101,1062 19.304,1063 29.5,1064 45.058,1065 47.895,1066 46.03,1067 43.551,1068 43.547,1069 59.587,1070 10.357,1071 131.404,1072 42.348,1073 5.682,1074 6.057,1075 6.782,1076 5.448,1077 5.439,1078 7.791,1079 4.069,1080 20.357,1081 5.347,1082 13.027,1083 1.554,1084 1.652,1085 1.587,1086 1.502,1087 1.502,1088 2.055,1089 0.357,1090 4.531,1091 1.46,1092 4.185,1093 4.213,1094 4.162,1095 4.091,1096 7.429,1097 4.105,1098 3.907,1099 3.933,1100 3.854,1101 3.856,1102 6.82,1103 3.852,1104 3.659,1105 3.698,1106 3.607,1107 3.496,1108 4.976,1109 3.516,1110 3.42,1111 3.482,1112 3.34,1113 3.235,1114 4.705,1115 3.25,1116 3.227,1117 3.288,1118 3.141,1119 3.04,1120 4.676,1121 3.054,1122 3.205,1123 3.258,1124 3.099,1125 2.938,1126 4.445,1127 2.965,1128 3.016,1129 3.093,1130 2.861,1131 2.8,1132 3.95,1133 2.806,1134 2.908,1135 2.972,1136 2.775,1137 2.744,1138 3.762,1139 2.749,1140 0.167,1141 0.14,1142 0.249,1143 0.152,1144 0.119,1145 4.843,1146 0.165,1147 4.057,1148 0.07,1149 7.229,1150 0.442,1151 4.412,1152 0.115,1153 3.439,1154 4.791,1155 2.035,1156 12.829,1157 3.347,1158 1.962,1159 1.939,1160 2.055,1161 2.061,1162 1.223,1163 2.059,1164 1.91,1165 1.89,1166 1.994,1167 1.997,1168 1.141,1169 1.993,1170 1.726,1171 1.689,1172 1.82,1173 1.904,1174 0.931,1175 1.881,1176 1.361,1177 1.305,1178 1.598,1179 1.599,1180 0.701,1181 1.598,1182 1.179,1183 1.113,1184 1.538,1185 1.46,1186 0.573,1187 1.489,1188 1.153,1189 1.095,1190 1.363,1191 1.392,1192 0.461,1193 1.386,1194 0.929,1195 0.878,1196 1.181,1197 1.194,1198 0.218,1199 1.164,1200 0.911,1201 0.841,1202 1.138,1203 1.084,1204 0.164,1205 1.107,1206 4.078,1208 5.425,1209 2.398,1210 6.984,1211 4.949,1212 8.641,1213 7.261,1214 10.354,1216 3.498,1222 0.518,1223 2.576,1224 5.348,1229 8.965,1230 2.118,1231 28.676,1232 66.039,1233 163.174,1234 191.316,1235 206.968,1236 206.968,1237 206.968,1238 40.067,1239 7.741,1240 83.7,1241 83.7,1242 23,1243 12.836,1244 4.322,1245 3.7,1246 37.774,1247 83,1248 112,1249 0.224,1250 176.012,1251 304.96,1252 421.229,1253 22651,1255 18.259,1256 0.702,1257 0.554,1258 18.259,1259 14.407,1260 12.618,1261 0.435,1262 0.282,1263 8.045,1264 12.129,1265 7.79,1266 6.479,1267 12.618,1268 8.164,1269 11.296,1270 0.269,1271 0.146,1272 11.296,1273 6.14,1274 10.165,1275 0.169,1276 0.077,1277 10.165,1278 4.596,1279 8.627,1280 0.101,1281 0.039,1282 8.627,1283 3.338,1284 7.688,1285 0.065,1286 0.021,1287 7.688,1288 2.463,1289 0.338,1290 79.198,1291 0.228,1292 24.48,1293 0.658,1294 142,1295 428.739,1296 153.976,1297 419.419,1298 576.96,1299 392,1300 173,1301 429.563,1302 186.033,1303 439.007,1304 641.35,1305 411,1306 5} {0 CHEMBL2088675,1 1.572,2 9.115,3 3.071,4 9.429,5 98.173,6 8.2,7 0.552,8 3.861,9 3.965,10 3.518,11 3.448,12 5.081,13 3.447,14 4.361,15 4.509,16 3.887,17 3.837,18 5.501,19 3.827,20 4.553,21 4.699,22 4.007,23 3.997,24 5.746,25 3.969,26 4.681,27 4.864,28 3.987,29 4.038,30 5.789,31 3.989,32 4.719,33 4.921,34 3.932,35 4.015,36 5.836,37 3.952,38 4.696,39 4.895,40 3.896,41 3.953,42 5.889,43 3.9,44 4.601,45 4.8,46 3.74,47 3.839,48 5.775,49 3.773,50 4.438,51 4.655,52 3.506,53 3.641,54 5.649,55 3.556,56 0.059,57 0.618,58 6.823,59 3.509,60 8.944,61 4.119,62 0.21,63 0.983,64 13.68,65 5.838,66 20.583,67 7.039,68 0.282,69 1.198,70 16.134,71 7.088,72 29.888,73 8.573,74 0.238,75 1.351,76 19.903,77 8.182,78 31.277,79 10.269,80 0.296,81 1.345,82 22.327,83 8.941,84 41.388,85 11.488,86 0.384,87 1.291,88 22.354,89 8.545,90 60.527,91 10.563,92 0.488,93 1.142,94 20.985,95 7.832,96 51.666,97 9.585,98 0.201,99 1.003,100 17.383,101 6.731,102 35.11,103 8.712,104 21,105 42,106 0.27,107 0.666,108 0.797,109 0.877,110 0.877,111 0.877,112 3.306,113 0.845,114 -3.31,115 -3.3,116 -3.16,119 47.6,120 1,123 1,124 1,133 7,134 4,135 1,143 2,146 1,147 2,157 1,159 9,162 9,164 1,168 10,171 2,172 10,174 1,176 2,178 7,181 1,182 8,187 1,190 5,193 1,194 7,199 3,202 9,205 2,206 6,211 3,213 12,216 1,217 5,220 1,222 2,224 9,229 8,234 1,237 4,241 1,242 5,245 1,250 1,255 988,256 17.826,257 17.826,258 17.826,259 17.826,260 17.826,261 15.494,262 22.783,263 10.253,264 18.156,265 14.187,266 14.187,267 14.187,268 14.187,269 14.187,270 10.422,271 29.691,272 4.708,273 14.608,274 3.82,275 1.507,276 0.742,277 0.274,278 0.274,279 0.274,280 4.002,283 1,284 1,285 512,286 2.828,288 40.215,289 171.192,291 153.752,295 1.219,296 23.493,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 56,307 237,308 4.843,309 4.058,310 7.229,311 4.412,312 3.439,313 4.791,314 2.035,315 12.829,316 3.347,317 4.137,318 3.714,319 6.054,320 3.696,321 2.704,322 3.73,323 0.98,324 8.514,325 2.685,326 4.021,327 3.207,328 6.007,329 3.606,330 2.627,331 3.527,332 0.86,333 8.406,334 2.57,335 3.812,336 2.905,337 5.571,338 3.371,339 2.412,340 3.192,341 0.782,342 7.534,343 2.314,344 3.569,345 2.818,346 5.28,347 3.184,348 2.214,349 2.858,350 0.522,351 6.581,352 2.129,353 3.546,354 2.618,355 5.007,356 3.013,357 2.027,358 2.718,360 5.856,361 1.992,362 3.118,363 2.221,364 4.766,365 2.573,366 1.599,367 2.303,369 4.688,370 1.554,371 2.976,372 1.839,373 4.583,374 2.487,375 1.517,376 2.001,378 4.374,379 1.462,380 2.858,381 1.771,382 3.786,383 2.213,384 1.216,385 1.787,386 2.695,387 1.211,388 2.614,389 1.248,390 3.493,391 1.917,392 0.94,393 1.279,394 2.417,395 0.915,396 2.349,397 1.1,398 3.079,399 1.377,400 0.476,401 0.876,402 0.758,403 0.415,404 1.639,405 1.009,406 2.907,407 1.345,408 0.429,409 0.532,411 0.624,412 0.399,413 1.462,414 0.873,415 2.769,416 1.192,417 0.155,418 0.184,420 0.336,421 0.16,422 1.259,423 0.208,424 2.687,425 0.938,426 -0.036,427 -0.046,429 -0.1,430 -0.035,431 0.847,432 -0.05,433 2.557,434 0.419,435 -0.546,436 -0.69,438 -1.331,439 -0.514,440 12.267,441 0.472,442 0.64,443 0.025,444 37.25,445 1.433,446 20.5,447 0.788,448 16.75,449 0.644,450 19.079,451 0.734,452 26.133,453 0.622,454 28.111,455 1.081,456 7.539,457 0.29,458 5.078,459 0.195,460 0.141,462 0.399,466 0.71,467 1.084,468 0.682,469 0.962,470 0.502,471 0.843,472 0.957,473 0.982,474 0.735,475 0.79,476 0.527,477 0.737,478 0.866,479 1.083,480 0.932,481 1.02,482 0.746,483 0.997,484 0.898,485 1.105,486 1.014,487 1.095,488 0.849,489 1.069,490 0.889,491 1.053,492 0.985,493 1.073,494 0.915,495 1.049,496 1.189,497 0.943,498 1.056,499 1.007,500 1.374,501 1.011,502 1.26,503 0.899,504 1.134,505 0.943,506 1.029,507 1.012,508 0.995,509 1.229,510 1.132,511 1.249,512 1.006,513 1.22,514 5,515 0.062,516 2.667,517 2.674,518 1.965,519 1.174,520 0.652,521 0.477,522 0.29,523 0.137,524 6967,525 20839,526 2.101,527 38.1,529 12,532 1,533 3,536 1.699,537 1.95,538 3.135,539 -0.332,540 1,541 1,545 66.039,546 1.572,547 3.885,548 4.65,549 5.118,550 5.118,551 5.118,552 2.609,553 4.547,554 4.668,555 3.258,556 1058.88,557 8.138,558 12589.1,559 1,560 1,562 1,563 226.477,564 1.46,565 4.624,566 0.172,567 0.009,568 0.063,569 0.058,570 0.045,571 0.029,572 0.017,573 0.014,574 0.012,575 0.009,576 0.428,577 0.5,578 1,579 0.881,580 123.68,581 0.017,582 -0.014,583 0.054,584 -0.021,585 0.006,586 0.012,587 -0.036,588 0.048,589 0.118,590 0.166,591 0.026,592 0.167,593 0.035,594 -0.048,595 -0.088,596 -0.073,597 -0.002,598 -0.102,599 -0.075,600 -0.086,601 -0.11,602 -0.14,603 -0.065,604 -0.129,605 -0.011,606 -0.087,607 -0.023,608 -0.089,609 -0.02,610 -0.061,611 -0.073,612 0.021,613 -0.065,614 -0.031,615 -0.131,616 -0.042,617 -0.035,618 0.041,619 -0.119,620 0.045,621 -0.039,622 -0.035,623 -0.078,624 -0.278,625 -0.131,626 -0.267,627 0.003,628 -0.219,629 1.905,630 5.567,631 0.731,632 20.462,633 1.009,634 1.117,635 2.08,636 4.325,637 0.702,638 3.401,639 3.761,640 4.111,641 4.466,642 4.787,643 4.949,644 5.13,645 5.303,646 5.361,647 5.347,648 5.373,649 0.683,650 344.4,651 3.401,652 4.963,653 5.849,654 6.765,655 7.679,656 8.608,657 9.535,658 10.47,659 11.404,660 12.344,661 9.5,668 1,669 1,670 2,674 2,675 7,680 5,681 1,682 16,683 1,697 1,699 42,700 19,701 2,702 29,704 45,705 20,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,720 1,721 16,722 3,724 2,728 1,730 1,731 2,732 1,733 1,736 16,737 5,738 1,739 6,743 4,747 0.5,748 2,756 1,759 1,760 3,762 2,777 2,781 2,785 26,789 1,790 1,791 1,796 1,798 1,799 1,801 4.8,804 1,806 1,808 13.333,809 8.517,810 5.778,811 2.413,812 3.711,813 1.479,814 1.016,815 3.986,816 11.452,817 3.738,818 4.379,819 5.063,820 5.744,821 6.373,822 6.798,823 7.268,824 7.724,825 8.037,826 8.321,827 1,828 46,829 9.56,831 4.116,832 7.846,833 18.022,835 14.87,837 2.346,838 61,841 1,842 176.567,843 134.485,844 67.51,846 36.145,849 134.485,850 212.711,851 67.51,852 19.708,853 19.994,854 66.334,855 49.208,856 77.994,857 4.901,858 176.567,860 176.567,861 201.995,862 36.145,865 176.567,866 36.145,869 78.441,870 123.554,873 176.567,874 103.654,875 134.485,878 176.567,879 31.841,880 87.941,881 34.49,882 83.867,883 176.567,884 103.654,885 134.485,887 0.582,888 0.359,889 0.205,890 0.124,891 22,892 10,893 0.067,894 3,895 2,896 1.211,897 3.63,898 236.623,899 0.211,900 19,901 122.211,904 16.381,905 6.327,906 2.688,907 1.844,908 101.755,909 13.145,914 3.661,915 1.966,916 17.888,917 414.706,918 41,922 12.567,924 4.126,925 0.514,926 42.363,927 46.903,928 0.292,929 0.72,930 0.862,931 0.949,932 0.949,933 0.949,934 4.997,935 1.517,936 5.855,937 4.688,938 4.443,939 5.066,940 2.671,941 6.739,942 4.391,943 6.246,944 1.216,945 7.455,946 4.374,947 4.111,948 4.987,950 7.786,951 4.04,952 7.586,953 0.94,954 9.157,955 2.695,956 6.098,957 7.369,958 3.666,959 10.96,960 5.999,961 8.962,962 0.476,963 10.919,964 2.417,965 6.594,966 8.144,968 12.89,969 6.471,970 10.371,971 0.429,972 12.722,973 0.758,974 8.069,975 10.003,976 4.984,977 15.622,978 7.921,979 11.806,980 0.155,981 14.556,982 0.624,983 8.958,984 11.194,986 17.937,987 8.783,988 13.262,989 -0.036,990 16.413,991 0.336,992 10.249,993 12.855,994 6.382,995 20.537,996 10.05,997 3.439,998 -0.546,999 18.291,1000 -0.1,1001 11.325,1002 14.25,1004 23.003,1005 11.096,1006 2.704,1007 12.829,1008 20.185,1009 -1.331,1010 12.558,1011 15.839,1012 7.798,1013 25.565,1014 12.304,1015 2.627,1016 8.514,1017 22.094,1018 4.791,1019 13.719,1020 17.327,1022 28.086,1023 13.435,1024 2.412,1025 8.406,1026 24.014,1027 3.73,1028 14.94,1029 18.894,1030 9.218,1031 30.64,1032 14.629,1033 2.214,1034 7.534,1035 25.944,1036 3.527,1037 16.139,1038 20.424,1040 33.18,1041 15.798,1042 2.027,1043 6.581,1044 27.882,1045 3.192,1046 17.361,1047 21.986,1048 10.638,1049 35.732,1050 16.993,1051 1.599,1052 5.856,1053 29.827,1054 2.858,1055 18.577,1056 23.535,1058 38.279,1059 18.18,1060 6756,1061 11785,1062 19.304,1063 29.5,1064 45.124,1065 48.066,1066 46.008,1067 43.489,1068 43.508,1069 59.554,1070 10.357,1071 131.219,1072 42.307,1073 5.682,1074 6.058,1075 6.822,1076 5.448,1077 5.439,1078 7.791,1079 4.069,1080 20.357,1081 5.347,1082 12.925,1083 1.556,1084 1.657,1085 1.586,1086 1.5,1087 1.5,1088 2.054,1089 0.357,1090 4.525,1091 1.459,1092 4.185,1093 4.213,1094 4.162,1095 4.091,1096 7.429,1097 4.105,1098 3.907,1099 3.933,1100 3.854,1101 3.856,1102 6.82,1103 3.852,1104 3.658,1105 3.698,1106 3.607,1107 3.496,1108 4.976,1109 3.515,1110 3.411,1111 3.474,1112 3.325,1113 3.216,1114 4.706,1115 3.231,1116 3.22,1117 3.281,1118 3.142,1119 3.037,1120 4.678,1121 3.053,1122 3.201,1123 3.254,1124 3.099,1125 2.938,1126 4.447,1127 2.965,1128 3.077,1129 3.151,1130 2.91,1131 2.887,1132 3.958,1133 2.88,1134 2.946,1135 3.006,1136 2.817,1137 2.8,1138 3.767,1139 2.802,1140 0.167,1141 0.14,1142 0.249,1143 0.152,1144 0.119,1145 4.843,1146 0.165,1147 4.058,1148 0.07,1149 7.229,1150 0.442,1151 4.412,1152 0.115,1153 3.439,1154 4.791,1155 2.035,1156 12.829,1157 3.347,1158 1.963,1159 1.939,1160 2.054,1161 2.061,1162 1.223,1163 2.059,1164 1.91,1165 1.891,1166 1.994,1167 1.997,1168 1.141,1169 1.993,1170 1.725,1171 1.688,1172 1.821,1173 1.904,1174 0.93,1175 1.881,1176 1.352,1177 1.294,1178 1.598,1179 1.597,1180 0.701,1181 1.596,1182 1.177,1183 1.104,1184 1.538,1185 1.458,1186 0.573,1187 1.488,1188 1.144,1189 1.092,1190 1.36,1191 1.382,1192 0.462,1193 1.377,1194 1.039,1195 0.976,1196 1.222,1197 1.257,1198 0.19,1199 1.244,1200 0.925,1201 0.876,1202 1.138,1203 1.109,1204 0.166,1205 1.129,1206 4.078,1208 5.425,1209 2.398,1210 6.984,1211 4.949,1212 8.642,1213 7.261,1214 10.357,1216 3.49,1222 0.481,1223 2.571,1224 5.347,1229 9.136,1230 2.153,1231 28.676,1232 66.039,1233 163.174,1234 195.316,1235 214.968,1236 214.968,1237 214.968,1238 40.505,1239 7.741,1240 83.7,1241 83.7,1242 23,1243 12.841,1244 4.322,1245 3.7,1246 37.679,1247 81,1248 96,1249 0.23,1250 176.012,1251 304.96,1252 421.229,1253 22651,1255 18.259,1256 0.702,1257 0.554,1258 18.259,1259 14.407,1260 12.618,1261 0.435,1262 0.282,1263 8.045,1264 12.129,1265 7.789,1266 6.48,1267 12.618,1268 8.164,1269 11.308,1270 0.269,1271 0.146,1272 11.308,1273 6.143,1274 10.09,1275 0.168,1276 0.076,1277 10.09,1278 4.569,1279 8.738,1280 0.102,1281 0.039,1282 8.738,1283 3.393,1284 7.724,1285 0.065,1286 0.021,1287 7.724,1288 2.449,1289 0.345,1290 79.198,1291 0.228,1292 24.338,1293 0.684,1294 142,1295 428.739,1296 153.976,1297 419.484,1298 576.98,1299 392,1300 173,1301 429.563,1302 186.033,1303 439.142,1304 641.59,1305 411,1306 5} {0 CHEMBL2088676,1 1.566,2 9.846,3 3.175,4 10.083,5 98.898,6 7.765,7 0.552,8 3.928,9 4.034,10 3.54,11 3.462,12 5.079,13 3.462,14 4.446,15 4.602,16 3.904,17 3.842,18 5.544,19 3.837,20 4.592,21 4.735,22 4.019,23 4.004,24 5.733,25 3.979,26 4.735,27 4.914,28 3.981,29 4.072,30 5.769,31 4.011,32 4.81,33 5.033,34 3.917,35 4.058,36 5.82,37 3.973,38 4.746,39 4.949,40 3.886,41 3.968,42 5.862,43 3.903,44 4.641,45 4.845,46 3.694,47 3.816,48 5.754,49 3.739,50 4.519,51 4.76,52 3.43,53 3.604,54 5.529,55 3.506,56 0.062,57 0.652,58 8.521,59 4.061,60 7.156,61 4.927,62 0.286,63 1.029,64 16.985,65 6.485,66 23.417,67 8.08,68 0.323,69 1.218,70 18.676,71 7.661,72 28.498,73 9.533,74 0.254,75 1.386,76 22.52,77 9.09,78 21.055,79 11.82,80 0.329,81 1.415,82 26.708,83 10.197,84 35.706,85 13.921,86 0.424,87 1.294,88 25.048,89 9.27,90 48.794,91 12.11,92 0.49,93 1.15,94 22.859,95 8.092,96 49.317,97 10.502,98 0.288,99 1.007,100 21.054,101 7.16,102 35.08,103 9.734,104 21,105 42,106 0.267,107 0.621,108 0.73,109 0.797,110 0.815,111 0.823,112 3.306,113 0.859,114 -3.38,115 -3.37,116 -3.22,119 44.4,120 1,123 2,124 1,133 7,134 3,135 2,143 2,146 1,147 1,157 1,159 7,162 10,164 1,168 8,171 2,172 10,174 1,176 2,178 6,181 1,182 7,187 1,190 5,193 1,194 5,199 3,202 9,205 2,206 6,211 3,213 12,216 1,217 5,220 1,222 2,224 6,229 7,237 2,241 1,242 4,245 1,255 1008,256 17.826,257 17.826,258 17.826,259 17.826,260 17.826,261 15.586,262 23.772,263 10.216,264 18.325,265 14.17,266 14.17,267 14.17,268 14.17,269 14.17,270 10.599,271 30.868,272 4.687,273 14.76,274 3.926,275 1.852,276 1.215,277 0.823,278 0.717,279 0.673,280 4.002,283 1,284 1,285 555,286 2.828,288 41.489,289 173.268,291 157.638,295 1.254,296 20.881,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 56.5,307 256,308 4.843,309 3.714,310 7.229,311 4.412,312 3.439,313 4.791,314 0.98,315 12.829,316 3.347,317 4.047,318 3.207,319 6.053,320 3.646,321 2.67,322 3.642,323 0.86,324 8.509,325 2.606,326 4.021,327 2.938,328 6.005,329 3.605,330 2.626,331 3.527,332 0.86,333 8.372,334 2.57,335 3.793,336 2.837,337 5.473,338 3.37,339 2.422,340 3.189,341 0.782,342 7.237,343 2.298,344 3.565,345 2.751,346 5.281,347 3.186,348 2.215,349 2.858,350 0.522,351 6.584,352 2.128,353 3.45,354 2.473,355 5.119,356 3.07,357 2.115,358 2.732,360 6.239,361 2.006,362 3.102,363 1.883,364 4.795,365 2.573,366 1.601,367 2.301,369 4.721,370 1.554,371 2.904,372 1.774,373 4.584,374 2.486,375 1.517,376 1.985,378 4.379,379 1.458,380 2.5,381 1.183,382 3.787,383 2,384 1,385 1.5,386 2.514,387 1,388 2.362,389 1.094,390 3.414,391 1.943,392 0.968,393 1.298,394 2.275,395 0.94,396 1.751,397 1.008,398 3.121,399 1.468,400 0.588,401 0.66,402 1.001,403 0.511,404 1.627,405 1,406 2.912,407 1.328,408 0.456,409 0.513,411 0.706,412 0.392,413 1.453,414 0.87,415 2.796,416 1.189,417 0.155,418 0.184,420 0.335,421 0.159,422 1.218,423 0.293,424 2.696,425 0.917,426 -0.031,427 -0.038,429 -0.069,430 -0.029,431 0.828,432 -0.059,433 2.499,434 0.439,435 -0.528,436 -0.661,438 -1.28,439 -0.502,440 12.2,441 0.469,442 0.64,443 0.025,444 35,445 1.346,446 18,447 0.692,448 17,449 0.654,450 20.122,451 0.774,452 27.4,453 0.609,454 26.8,455 1.031,456 7.309,457 0.281,458 5.309,459 0.204,460 0.15,462 0.402,466 0.77,467 1.198,468 0.724,469 1.073,470 0.608,471 0.92,472 1.135,473 0.973,474 0.772,475 0.75,476 0.7,477 0.702,478 0.956,479 1.104,480 0.949,481 1.01,482 0.898,483 0.985,484 0.852,485 1.192,486 1.053,487 1.166,488 0.848,489 1.144,490 0.705,491 1.002,492 0.903,493 1.014,494 0.925,495 0.993,496 1.031,497 1.024,498 1.001,499 1.021,500 1.48,501 1.012,502 1.14,503 1.046,504 1.161,505 1.065,506 1.213,507 1.109,508 1.067,509 1.055,510 1.103,511 1.109,512 1.087,513 1.1,514 5,515 0.095,516 2.889,517 2.424,518 2.045,519 1.23,520 0.689,521 0.397,522 0.322,523 0.15,524 7135,525 19909,526 2.101,527 42.2,529 15,532 1,533 3,536 1.697,537 1.95,538 3.199,539 -0.332,540 1,541 1,545 70.474,546 1.566,547 3.639,548 4.277,549 4.669,550 4.775,551 4.819,552 2.627,553 4.393,554 4.665,555 3.335,556 1083.85,557 8.124,558 12860.5,560 1,562 1,563 247.133,564 1.46,565 4.624,566 0.172,567 0.009,568 0.069,569 0.053,570 0.048,571 0.031,572 0.018,573 0.013,574 0.015,575 0.009,576 0.436,577 0.33,578 1,579 0.881,580 124.227,581 0.01,582 -0.065,583 0.068,584 -0.065,585 -0.038,586 -0.004,587 -0.093,588 0.094,589 0.137,590 0.227,591 0.018,592 0.223,593 -0.016,594 -0.011,595 -0.082,596 -0.031,597 -0.007,598 -0.068,599 -0.08,600 -0.135,601 -0.164,602 -0.186,603 -0.079,604 -0.189,605 0.025,606 -0.019,607 0.048,608 -0.022,609 0.027,610 0.014,611 -0.021,612 -0.048,613 -0.029,614 -0.041,615 -0.073,616 -0.039,617 -0.028,618 -0.069,619 -0.172,620 -0.1,621 -0.017,622 -0.152,623 -0.098,624 -0.095,625 -0.085,626 -0.154,627 -0.074,628 -0.115,629 1.866,630 5.576,631 0.731,632 21.598,633 1.008,634 1.121,635 2.154,636 4.638,637 0.677,638 3.401,639 3.761,640 4.111,641 4.454,642 4.787,643 4.949,644 5.118,645 5.293,646 5.361,647 5.352,648 5.548,649 0.654,650 349.42,651 3.401,652 4.963,653 5.849,654 6.763,655 7.677,656 8.604,657 9.531,658 10.465,659 11.399,660 12.338,661 6.7,668 1,669 1,670 1,674 2,675 7,680 5,681 1,682 16,697 2,699 45,700 18,701 2,702 29,704 48,705 20,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 4,724 2,728 1,730 1,731 2,732 1,733 1,736 19,737 5,738 1,739 6,743 3,747 0.5,748 3,756 1,759 1,760 3,762 2,777 2,781 3,785 26,789 1,790 1,791 2,801 6.7,804 1,806 2,808 13.333,809 9.233,810 5.778,811 2.508,812 3.49,813 1.451,814 1.006,815 4.267,816 11.231,817 3.689,818 4.353,819 5.025,820 5.707,821 6.345,822 6.77,823 7.223,824 7.7,825 7.999,826 8.263,827 0.857,828 46,829 9.576,831 4.076,832 7.731,833 18.223,835 14.914,837 2.231,838 58,841 1,842 211.88,843 130.824,844 36.45,846 47.145,849 130.824,850 259.025,851 36.45,852 30.591,853 19.994,854 66.334,855 32.606,856 59.993,857 4.901,858 211.88,860 211.88,861 167.274,862 47.145,865 211.88,866 47.145,869 47.381,870 119.893,873 211.88,874 83.595,875 130.824,878 211.88,879 33.899,880 98.824,881 17.888,882 63.808,883 211.88,884 83.595,885 130.824,887 0.584,888 0.36,889 0.201,890 0.122,891 22,892 10,893 0.083,894 4,895 2,896 1.211,897 3.654,898 235.244,899 0.211,900 19,901 118.211,904 16.824,905 6.595,906 2.828,907 1.933,908 81.696,909 13.687,914 4.112,915 2.027,916 17.888,917 426.299,918 39,922 12.576,924 4.147,925 0.584,926 45.356,927 50.445,928 0.285,929 0.663,930 0.779,931 0.85,932 0.869,933 0.878,934 4.942,935 1.517,936 5.855,937 4.721,938 4.443,939 5.04,940 2.034,941 6.737,942 4.374,943 6.182,944 1,945 7.455,946 4.379,947 4.111,948 4.987,950 7.786,951 4.019,952 7.523,953 0.968,954 9.156,955 2.514,956 6.098,957 7.343,958 1.78,959 10.953,960 5.974,961 8.903,962 0.588,963 10.918,964 2.275,965 6.594,966 8.131,968 12.886,969 6.444,970 10.316,971 0.456,972 12.72,973 1.001,974 8.067,975 9.98,976 1.586,977 15.616,978 7.893,979 11.754,980 0.155,981 14.553,982 0.706,983 8.955,984 11.177,986 17.933,987 8.754,988 13.214,989 -0.031,990 16.41,991 0.335,992 10.245,993 12.836,994 1.432,995 20.533,996 10.022,997 3.439,998 -0.528,999 18.288,1000 -0.069,1001 11.319,1002 14.233,1004 23,1005 11.069,1006 2.67,1007 12.829,1008 20.182,1009 -1.28,1010 12.553,1011 15.824,1012 1.306,1013 25.563,1014 12.279,1015 2.626,1016 8.509,1017 22.09,1018 4.791,1019 13.713,1020 17.314,1022 28.085,1023 13.412,1024 2.422,1025 8.372,1026 24.01,1027 3.642,1028 14.934,1029 18.883,1030 1.202,1031 30.639,1032 14.609,1033 2.215,1034 7.237,1035 25.94,1036 3.527,1037 16.134,1038 20.414,1040 33.18,1041 15.781,1042 2.115,1043 6.584,1044 27.879,1045 3.189,1046 17.356,1047 21.978,1048 1.116,1049 35.731,1050 16.977,1051 1.601,1052 6.239,1053 29.825,1054 2.858,1055 18.573,1056 23.528,1058 38.279,1059 18.167,1060 6912,1061 11657,1062 19.304,1063 30.472,1064 43.87,1065 45.484,1066 46.03,1067 43.538,1068 43.547,1069 58.36,1070 8.007,1071 131.404,1072 41.94,1073 5.682,1074 5.714,1075 6.782,1076 5.448,1077 5.439,1078 7.791,1079 1.96,1080 20.357,1081 5.347,1082 13.027,1083 1.513,1084 1.568,1085 1.587,1086 1.501,1087 1.502,1088 2.012,1089 0.276,1090 4.531,1091 1.446,1092 4.185,1093 4.213,1094 4.162,1095 4.09,1096 7.429,1097 4.104,1098 3.895,1099 3.916,1100 3.835,1101 3.828,1102 4.982,1103 3.826,1104 3.658,1105 3.698,1106 3.607,1107 3.495,1108 4.853,1109 3.515,1110 3.416,1111 3.476,1112 3.318,1113 3.201,1114 4.698,1115 3.217,1116 3.252,1117 3.315,1118 3.099,1119 2.999,1120 4.473,1121 3.008,1122 3.211,1123 3.269,1124 3.086,1125 2.938,1126 4.347,1127 2.964,1128 3.072,1129 3.16,1130 2.865,1131 2.818,1132 3.93,1133 2.814,1134 2.936,1135 2.997,1136 2.789,1137 2.8,1138 3.756,1139 2.794,1140 0.167,1141 0.128,1142 0.249,1143 0.152,1144 0.119,1145 4.843,1146 0.165,1147 3.714,1148 0.034,1149 7.229,1150 0.442,1151 4.412,1152 0.115,1153 3.439,1154 4.791,1155 0.98,1156 12.829,1157 3.347,1158 1.956,1159 1.934,1160 2.048,1161 2.06,1162 1.221,1163 2.056,1164 1.898,1165 1.878,1166 1.989,1167 1.997,1168 1.139,1169 1.991,1170 1.719,1171 1.684,1172 1.818,1173 1.903,1174 0.928,1175 1.879,1176 1.349,1177 1.292,1178 1.613,1179 1.61,1180 0.703,1181 1.609,1182 1.197,1183 1.13,1184 1.565,1185 1.506,1186 0.575,1187 1.525,1188 1.172,1189 1.097,1190 1.516,1191 1.446,1192 0.566,1193 1.475,1194 1.038,1195 0.956,1196 1.331,1197 1.335,1198 0.449,1199 1.337,1200 0.925,1201 0.875,1202 1.181,1203 1.103,1204 0.218,1205 1.125,1206 4.078,1208 5.425,1209 2.398,1210 6.984,1211 4.949,1212 8.641,1213 7.261,1214 10.354,1216 5.176,1222 0.572,1223 2.599,1224 10.586,1231 29.423,1232 70.474,1233 163.777,1234 192.462,1235 210.114,1236 214.869,1237 216.869,1238 37.373,1239 7.741,1240 69.14,1241 69.14,1242 23,1243 12.836,1244 4.248,1245 3.459,1246 37.774,1247 83,1248 112,1249 0.224,1250 179.069,1251 308.03,1252 428.688,1253 22651,1255 18.259,1256 0.702,1257 0.572,1258 18.259,1259 14.868,1260 12.618,1261 0.435,1262 0.286,1263 8.149,1264 12.015,1265 7.859,1266 6.555,1267 12.618,1268 8.302,1269 11.296,1270 0.269,1271 0.147,1272 11.296,1273 6.179,1274 10.165,1275 0.169,1276 0.078,1277 10.165,1278 4.672,1279 8.627,1280 0.101,1281 0.04,1282 8.627,1283 3.384,1284 7.688,1285 0.065,1286 0.021,1287 7.688,1288 2.474,1289 0.338,1290 79.96,1291 0.228,1292 24.48,1293 0.658,1294 142,1295 432.83,1296 156.161,1297 411.806,1298 570.64,1299 388,1300 173,1301 426.7,1302 188.024,1303 433.638,1304 636.07,1305 405,1306 5} {0 CHEMBL2088677,1 1.566,2 9.115,3 3.175,4 10.083,5 98.898,6 7.765,7 0.552,8 3.928,9 4.034,10 3.54,11 3.462,12 5.079,13 3.462,14 4.446,15 4.602,16 3.904,17 3.842,18 5.544,19 3.837,20 4.592,21 4.735,22 4.019,23 4.004,24 5.729,25 3.979,26 4.735,27 4.914,28 4.002,29 4.073,30 5.77,31 4.017,32 4.819,33 5.032,34 3.945,35 4.069,36 5.848,37 3.991,38 4.769,39 4.971,40 3.916,41 3.996,42 5.88,43 3.932,44 4.717,45 4.939,46 3.772,47 3.852,48 5.802,49 3.786,50 4.519,51 4.723,52 3.556,53 3.675,54 5.643,55 3.589,56 0.062,57 0.652,58 8.521,59 4.061,60 7.156,61 4.927,62 0.286,63 1.029,64 16.985,65 6.485,66 23.476,67 8.08,68 0.323,69 1.218,70 18.676,71 7.661,72 28.297,73 9.533,74 0.239,75 1.386,76 22.495,77 9.088,78 20.169,79 11.835,80 0.415,81 1.42,82 26.863,83 10.16,84 37.89,85 13.6,86 0.348,87 1.34,88 25.235,89 9.493,90 47.057,91 12.443,92 0.559,93 1.219,94 25.743,95 8.595,96 52.216,97 11.296,98 0.369,99 1.01,100 19.896,101 7.351,102 40.141,103 9.679,104 21,105 42,106 0.267,107 0.621,108 0.748,109 0.83,110 0.845,111 0.853,112 3.306,113 0.859,114 -3.38,115 -3.37,116 -3.22,119 44.4,120 1,123 2,124 1,133 7,134 3,135 2,143 2,146 1,147 1,157 1,159 7,162 10,164 1,168 8,171 2,172 10,174 1,176 2,178 6,181 1,182 6,187 1,190 5,193 2,194 6,199 3,202 9,205 1,206 6,211 3,213 9,216 1,217 7,220 1,222 1,224 7,228 1,229 6,232 1,234 1,237 3,241 1,242 3,250 1,255 988,256 17.826,257 17.826,258 17.826,259 17.826,260 17.826,261 15.586,262 23.772,263 10.253,264 18.325,265 14.187,266 14.187,267 14.187,268 14.187,269 14.187,270 10.605,271 32.175,272 4.708,273 14.775,274 3.926,275 1.852,276 1.109,277 0.628,278 0.539,279 0.495,280 4.002,283 1,284 1,285 512,286 2.828,288 40.215,289 171.192,291 153.752,295 1.219,296 21.134,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 56.5,307 237,308 4.843,309 3.714,310 7.229,311 4.412,312 3.439,313 4.791,314 0.98,315 12.829,316 3.347,317 4.077,318 3.208,319 6.054,320 3.678,321 2.704,322 3.676,323 0.86,324 8.514,325 2.634,326 4.021,327 2.973,328 6.007,329 3.605,330 2.627,331 3.527,332 0.86,333 8.406,334 2.57,335 3.788,336 2.839,337 5.571,338 3.361,339 2.412,340 3.183,341 0.782,342 7.534,343 2.293,344 3.565,345 2.733,346 5.28,347 3.183,348 2.214,349 2.857,350 0.522,351 6.581,352 2.121,353 3.351,354 2.416,355 5.007,356 2.981,357 2.027,358 2.596,360 5.856,361 1.922,362 3.098,363 1.874,364 4.766,365 2.571,366 1.599,367 2.298,369 4.688,370 1.552,371 2.905,372 1.774,373 4.583,374 2.485,375 1.517,376 1.99,378 4.374,379 1.457,380 2.676,381 1.337,382 3.786,383 2.205,384 1.216,385 1.753,386 2.695,387 1.201,388 2.349,389 1.101,390 3.493,391 1.917,392 0.94,393 1.278,394 2.417,395 0.915,396 1.639,397 1.009,398 3.079,399 1.347,400 0.476,401 0.533,402 0.758,403 0.41,404 1.584,405 0.937,406 2.907,407 1.294,408 0.429,409 0.481,411 0.624,412 0.367,413 1.462,414 0.871,415 2.769,416 1.192,417 0.155,418 0.184,420 0.336,421 0.16,422 1.257,423 0.206,424 2.687,425 0.938,426 -0.036,427 -0.046,429 -0.1,430 -0.035,431 0.82,432 -0.081,433 2.557,434 0.418,435 -0.546,436 -0.689,438 -1.331,439 -0.514,440 12.2,441 0.469,442 0.64,443 0.025,444 35,445 1.346,446 18,447 0.692,448 17,449 0.654,450 20.265,451 0.779,452 27.4,453 0.609,454 26.925,455 1.036,456 7.309,457 0.281,458 5.309,459 0.204,460 0.15,462 0.402,466 0.77,467 1.198,468 0.724,469 1.073,470 0.608,471 0.92,472 1.135,473 0.973,474 0.772,475 0.75,476 0.698,477 0.702,478 0.956,479 1.104,480 0.949,481 1.01,482 0.909,483 0.985,484 0.833,485 1.192,486 1.011,487 1.162,488 0.826,489 1.119,490 0.83,491 0.987,492 0.961,493 1,494 0.981,495 1.003,496 0.994,497 1.119,498 1.004,499 1.107,500 1.43,501 1.066,502 1.192,503 0.865,504 1.034,505 0.879,506 1.159,507 0.913,508 0.947,509 1.174,510 1.141,511 1.259,512 0.953,513 1.239,514 5,515 0.062,516 2.667,517 2.674,518 1.965,519 1.174,520 0.652,521 0.477,522 0.29,523 0.137,524 6967,525 19365,526 2.101,527 42.2,529 15,532 1,533 3,536 1.699,537 1.95,538 3.135,539 -0.332,540 1,541 1,545 70.474,546 1.566,547 3.639,548 4.383,549 4.864,550 4.953,551 4.997,552 2.609,553 4.547,554 4.668,555 3.258,556 1058.88,557 8.138,558 12589.1,560 1,562 1,563 247.133,564 1.46,565 4.624,566 0.172,567 0.009,568 0.063,569 0.058,570 0.045,571 0.029,572 0.017,573 0.014,574 0.012,575 0.009,576 0.428,577 0.33,578 1,579 0.881,580 123.68,581 0.01,582 -0.065,583 0.068,584 -0.065,585 -0.038,586 -0.004,587 -0.093,588 0.094,589 0.137,590 0.227,591 0.019,592 0.223,593 -0.016,594 -0.011,595 -0.082,596 -0.031,597 -0.019,598 -0.068,599 -0.06,600 -0.135,601 -0.121,602 -0.181,603 -0.057,604 -0.164,605 0.013,606 -0.001,607 -0.006,608 -0.012,610 -0.013,611 -0.042,612 -0.134,613 -0.044,614 -0.126,615 -0.069,616 -0.092,617 -0.024,618 0.099,619 -0.007,620 0.077,621 0.006,622 0.05,623 0.084,624 -0.21,625 -0.161,626 -0.286,627 0.079,628 -0.27,629 1.872,630 5.594,631 0.731,632 20.462,633 1.008,634 1.121,635 2.154,636 4.638,637 0.677,638 3.401,639 3.761,640 4.111,641 4.466,642 4.787,643 4.949,644 5.13,645 5.303,646 5.361,647 5.347,648 5.373,649 0.654,650 349.42,651 3.401,652 4.963,653 5.849,654 6.765,655 7.679,656 8.608,657 9.535,658 10.47,659 11.404,660 12.344,661 6.7,668 1,669 1,670 1,674 2,675 7,680 5,681 1,682 16,697 2,699 45,700 18,701 2,702 29,704 48,705 20,706 14,707 5,708 7,709 2,710 4,711 7,713 1,715 1,721 16,722 4,724 2,728 1,730 1,731 2,732 1,733 1,736 19,737 5,738 1,739 6,743 3,747 0.5,748 3,756 1,759 1,760 3,762 2,777 2,781 3,785 26,789 1,790 1,791 2,801 6.7,804 1,806 2,808 13.333,809 9.233,810 5.778,811 2.508,812 3.507,813 1.453,814 1.006,815 4.267,816 11.248,817 3.689,818 4.353,819 5.025,820 5.715,821 6.341,822 6.77,823 7.23,824 7.703,825 7.996,826 8.259,827 1,828 46,829 9.578,831 4.079,832 7.731,833 18.223,835 14.914,837 2.231,838 58,841 1,842 211.88,843 130.824,844 36.45,846 47.145,849 130.824,850 259.025,851 36.45,852 30.591,853 19.994,854 66.334,855 32.606,856 59.993,857 4.901,858 211.88,860 211.88,861 167.274,862 47.145,865 211.88,866 47.145,869 47.381,870 119.893,873 211.88,874 83.595,875 130.824,878 211.88,879 33.899,880 98.824,881 17.888,882 63.808,883 211.88,884 83.595,885 130.824,887 0.582,888 0.359,889 0.205,890 0.124,891 22,892 10,893 0.083,894 4,895 2,896 1.211,897 3.63,898 236.623,899 0.211,900 19,901 120.211,904 16.824,905 6.595,906 2.828,907 1.92,908 81.696,909 13.68,914 4.052,915 2.02,916 17.888,917 426.299,918 39,922 12.594,924 4.149,925 0.575,926 45.356,927 50.445,928 0.285,929 0.663,930 0.798,931 0.886,932 0.902,933 0.91,934 4.942,935 1.517,936 5.855,937 4.688,938 4.443,939 5.04,940 2.034,941 6.739,942 4.374,943 6.182,944 1.216,945 7.455,946 4.374,947 4.111,948 4.987,950 7.786,951 4.019,952 7.523,953 0.94,954 9.157,955 2.695,956 6.098,957 7.343,958 1.78,959 10.96,960 5.974,961 8.903,962 0.476,963 10.919,964 2.417,965 6.594,966 8.131,968 12.89,969 6.444,970 10.316,971 0.429,972 12.722,973 0.758,974 8.069,975 9.981,976 1.586,977 15.622,978 7.895,979 11.755,980 0.155,981 14.556,982 0.624,983 8.958,984 11.18,986 17.937,987 8.757,988 13.215,989 -0.036,990 16.413,991 0.336,992 10.249,993 12.839,994 1.432,995 20.537,996 10.026,997 3.439,998 -0.546,999 18.291,1000 -0.1,1001 11.325,1002 14.237,1004 23.003,1005 11.075,1006 2.704,1007 12.829,1008 20.185,1009 -1.331,1010 12.558,1011 15.827,1012 1.306,1013 25.565,1014 12.285,1015 2.627,1016 8.514,1017 22.094,1018 4.791,1019 13.719,1020 17.318,1022 28.086,1023 13.418,1024 2.412,1025 8.406,1026 24.014,1027 3.676,1028 14.94,1029 18.886,1030 1.202,1031 30.64,1032 14.614,1033 2.214,1034 7.534,1035 25.944,1036 3.527,1037 16.139,1038 20.418,1040 33.18,1041 15.785,1042 2.027,1043 6.581,1044 27.882,1045 3.183,1046 17.361,1047 21.981,1048 1.116,1049 35.732,1050 16.981,1051 1.599,1052 5.856,1053 29.827,1054 2.857,1055 18.577,1056 23.531,1058 38.279,1059 18.171,1060 6756,1061 11377,1062 19.304,1063 30.472,1064 43.748,1065 45.59,1066 46.008,1067 43.45,1068 43.508,1069 58.296,1070 8.007,1071 131.219,1072 41.897,1073 5.683,1074 5.714,1075 6.822,1076 5.448,1077 5.439,1078 7.791,1079 1.96,1080 20.357,1081 5.347,1082 12.925,1083 1.509,1084 1.572,1085 1.586,1086 1.498,1087 1.5,1088 2.01,1089 0.276,1090 4.525,1091 1.445,1092 4.185,1093 4.213,1094 4.162,1095 4.09,1096 7.429,1097 4.104,1098 3.895,1099 3.917,1100 3.836,1101 3.828,1102 4.982,1103 3.826,1104 3.658,1105 3.698,1106 3.606,1107 3.495,1108 4.851,1109 3.515,1110 3.409,1111 3.471,1112 3.31,1113 3.196,1114 4.698,1115 3.211,1116 3.25,1117 3.314,1118 3.099,1119 2.987,1120 4.469,1121 2.996,1122 3.212,1123 3.271,1124 3.076,1125 2.938,1126 4.358,1127 2.964,1128 3.105,1129 3.184,1130 2.911,1131 2.896,1132 3.952,1133 2.886,1134 2.948,1135 3.007,1136 2.817,1137 2.8,1138 3.766,1139 2.803,1140 0.167,1141 0.128,1142 0.249,1143 0.152,1144 0.119,1145 4.843,1146 0.165,1147 3.714,1148 0.034,1149 7.229,1150 0.442,1151 4.412,1152 0.115,1153 3.439,1154 4.791,1155 0.98,1156 12.829,1157 3.347,1158 1.956,1159 1.934,1160 2.047,1161 2.061,1162 1.221,1163 2.056,1164 1.898,1165 1.878,1166 1.99,1167 1.997,1168 1.139,1169 1.991,1170 1.72,1171 1.684,1172 1.819,1173 1.903,1174 0.928,1175 1.879,1176 1.345,1177 1.287,1178 1.607,1179 1.604,1180 0.702,1181 1.603,1182 1.197,1183 1.127,1184 1.568,1185 1.508,1186 0.575,1187 1.528,1188 1.173,1189 1.098,1190 1.526,1191 1.45,1192 0.568,1193 1.48,1194 1.075,1195 1.006,1196 1.35,1197 1.352,1198 0.458,1199 1.354,1200 0.925,1201 0.876,1202 1.138,1203 1.11,1204 0.175,1205 1.129,1206 4.078,1208 5.425,1209 2.398,1210 6.984,1211 4.949,1212 8.642,1213 7.261,1214 10.357,1216 5.174,1222 0.552,1223 2.599,1224 10.685,1231 29.423,1232 70.474,1233 163.777,1234 197.217,1235 218.869,1236 222.869,1237 224.869,1238 37.574,1239 7.741,1240 69.14,1241 69.14,1242 23,1243 12.841,1244 4.248,1245 3.459,1246 37.679,1247 81,1248 96,1249 0.23,1250 179.069,1251 308.03,1252 428.688,1253 22651,1255 18.259,1256 0.702,1257 0.572,1258 18.259,1259 14.868,1260 12.618,1261 0.435,1262 0.286,1263 8.149,1264 12.015,1265 7.859,1266 6.557,1267 12.618,1268 8.302,1269 11.308,1270 0.269,1271 0.147,1272 11.308,1273 6.183,1274 10.09,1275 0.168,1276 0.077,1277 10.09,1278 4.647,1279 8.738,1280 0.102,1281 0.04,1282 8.738,1283 3.424,1284 7.724,1285 0.065,1286 0.021,1287 7.724,1288 2.488,1289 0.345,1290 79.96,1291 0.228,1292 24.338,1293 0.684,1294 142,1295 432.83,1296 156.161,1297 411.871,1298 570.66,1299 388,1300 173,1301 426.7,1302 188.024,1303 433.774,1304 636.33,1305 405,1306 5} {0 CHEMBL2153261,1 1.688,2 5.6,3 1.89,4 3.573,5 60.584,6 9.404,7 0.882,8 3.305,9 3.421,10 3.145,11 2.959,12 4.513,13 2.923,14 3.73,15 3.859,16 3.514,17 3.335,18 4.934,19 3.271,20 3.824,21 4.012,22 3.353,23 3.237,24 4.94,25 3.169,26 3.716,27 3.896,28 3.352,29 3.176,30 4.84,31 3.101,32 3.619,33 3.797,34 3.198,35 3.073,36 4.797,37 2.964,38 3.531,39 3.759,40 2.628,41 2.794,42 4.527,43 2.631,44 3.151,45 3.444,46 1.601,47 2.185,48 4.007,49 1.916,50 2.507,51 2.873,52 0.454,53 1.353,54 3.135,55 1.054,56 0.048,57 0.403,58 3.341,59 1.779,60 6.178,61 1.761,62 0.11,63 0.626,64 6.666,65 3.266,66 9.709,67 3.435,68 0.16,69 0.664,70 10.134,71 3.524,72 13.443,73 3.525,74 0.107,75 0.588,76 7.415,77 3.151,78 9.199,79 3.549,80 0.122,81 0.541,82 7.624,83 2.963,84 12.957,85 2.973,86 0.111,87 0.449,88 8.997,89 3.088,90 11.081,91 3.368,92 0.079,93 0.274,94 8.056,95 2.591,96 9.095,97 3.01,98 0.052,99 0.119,100 4.073,101 1.268,102 7.681,103 1.757,104 2,105 24,106 0.336,107 0.701,108 0.842,109 0.883,110 0.883,111 0.883,112 2.798,113 0.947,114 -2.62,115 -2.64,116 -2.57,119 43.5,133 3,136 1,137 2,142 1,143 2,151 1,152 1,153 1,154 1,159 1,162 1,163 1,164 2,165 1,166 1,167 1,168 2,171 1,172 3,182 3,185 1,187 1,192 1,194 1,196 1,197 1,199 2,202 2,211 3,213 1,215 2,222 1,226 1,255 196,256 10.361,257 10.361,258 10.361,259 10.361,260 10.361,261 8.621,262 3.162,263 6.16,264 10.774,265 8.426,266 8.426,267 8.426,268 8.426,269 8.426,270 5.861,271 2.5,272 2.934,273 9.104,274 2.836,275 1.005,276 0.294,277 0.087,278 0.087,279 0.087,280 3.469,284 1,285 185,286 1.581,288 56.712,289 31.9,291 48.148,295 0.827,296 9.458,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 32,307 84,308 4.609,309 3.174,310 6.713,311 4.119,312 3.166,313 4.557,315 10.934,316 3.013,317 4.007,318 2.619,319 5.824,320 3.513,321 2.597,322 3.608,324 8.051,325 2.373,326 3.426,327 2.078,328 4.853,329 2.916,330 2,331 2.818,333 5.399,334 1.827,335 3.177,336 1.711,337 4.645,338 2.647,339 1.702,340 2.492,342 4.734,343 1.599,344 2.852,345 1.4,346 4.032,347 2.32,348 1.381,349 2.013,351 3.371,352 1.293,353 2.464,354 1,355 3.41,356 1.932,357 1,358 1.448,360 2.328,361 0.92,362 2.118,363 0.618,364 3.111,365 1.464,366 0.618,367 0.927,369 1.372,370 0.507,371 1.905,372 0.409,373 3,374 1.328,375 0.409,376 0.611,378 1.093,379 0.373,380 0.965,381 -0.341,382 2.4,383 0.495,384 -0.438,385 -0.581,386 -1.075,387 -0.407,388 0.5,389 -0.714,390 2.173,391 0.089,392 -0.84,393 -1.036,394 -2.057,395 -0.78,396 0.421,397 -1,398 2,399 -0.049,400 -1,401 -1.5,402 -2.901,403 -0.946,404 0.033,405 -1.391,406 1.715,407 -0.452,408 -1.396,409 -1.914,411 -3.132,412 -1.24,413 -0.118,414 -1.618,415 1.179,416 -0.738,417 -1.618,418 -2.427,420 -4.372,421 -1.37,422 -0.33,423 -1.711,424 1.057,425 -0.825,426 -1.746,427 -2.528,429 -5.099,430 -1.613,431 -0.356,432 -1.834,433 1,434 -0.936,435 -1.834,436 -2.631,438 -5.506,439 -1.701,440 7.433,441 0.496,442 0.329,443 0.022,444 22.75,445 1.517,446 12.5,447 0.833,448 10.25,449 0.683,450 8.154,451 0.544,452 14.767,453 0.642,454 12.103,455 0.807,456 4.369,457 0.291,458 2.974,459 0.198,460 0.054,462 0.336,466 1.164,467 1.022,468 0.696,469 0.667,470 1.252,471 0.646,472 0.645,473 0.949,474 0.876,475 0.929,476 0.553,477 0.857,478 1.29,479 1.04,480 1.092,481 1.001,482 1.106,483 0.936,484 0.873,485 1.097,486 0.744,487 0.892,488 0.72,489 0.898,490 1.164,491 1.054,492 1.171,493 1.113,494 1.174,495 1.103,496 1.139,497 1.106,498 1.348,499 1.342,500 1.208,501 1.388,502 0.953,503 1.039,504 1.421,505 1.389,506 1.118,507 1.428,508 0.752,509 0.472,510 0.612,511 0.587,512 1.483,513 0.912,514 2.5,516 1.556,517 1.035,518 0.528,519 0.389,520 0.106,521 0.041,524 1611,525 4856,526 2.186,527 34.8,529 3,530 1,531 1,532 3,536 1.536,537 2.093,538 2.577,539 1.378,543 1,545 38.823,546 1.688,547 3.518,548 4.23,549 4.437,550 4.437,551 4.437,552 1.909,553 2.974,554 3.883,555 2.607,556 273.717,557 6.529,558 2206.87,560 1,563 104.042,564 1.231,565 3.859,566 0.147,568 0.065,569 0.052,570 0.028,571 0.026,572 0.013,573 0.02,576 0.351,577 0.67,578 1,579 0.521,580 56.876,581 -0.271,582 0.028,583 0.023,584 0.149,585 -0.351,586 0.116,587 0.238,588 0.084,589 -0.01,590 -0.012,591 0.179,592 -0.032,593 -0.203,594 -0.019,595 -0.155,596 -0.076,597 -0.161,598 -0.052,599 0.073,600 -0.133,601 0.129,602 0.006,603 0.123,604 0.012,605 -0.146,606 -0.035,607 -0.144,608 -0.115,609 -0.1,610 -0.202,611 -0.214,612 -0.206,613 -0.306,614 -0.332,615 -0.233,616 -0.357,617 -0.053,618 -0.247,619 -0.218,620 -0.273,621 0.027,622 -0.21,623 0.16,624 0.185,625 0.402,626 0.391,627 -0.085,628 0.455,629 1.24,630 1.622,631 0.933,632 6.453,633 1.011,634 1.119,635 1.392,636 1.938,637 0.748,638 2.89,639 3.219,640 3.526,641 3.85,642 3.951,643 3.989,644 4.043,645 4.025,646 3.761,647 3.555,648 3.596,649 0.71,650 216.29,651 2.89,652 4.419,653 5.283,654 6.176,655 7.06,656 7.958,657 8.849,658 9.747,659 10.641,660 11.539,661 17.4,665 1,669 1,671 2,674 2,675 5,676 2,677 1,679 1,680 3,682 15,691 1,699 23,700 15,702 17,704 25,705 10,706 10,710 3,711 4,721 10,733 1,736 8,737 3,738 3,739 5,740 1,742 1,743 4,747 0.667,754 1,759 2,760 1,762 1,777 2,779 1,785 15,786 1,797 1,808 7.167,809 4.067,810 3.25,811 1.21,812 2.89,813 1.469,814 1.086,815 1.955,816 9.049,817 3.239,818 3.922,819 4.605,820 5.299,821 5.731,822 6.116,823 6.548,824 6.914,825 6.925,826 7.116,827 0.75,828 20,829 5.478,830 -0.001,831 2.344,832 7.678,833 10.434,835 8.607,837 2.178,838 32.667,839 0.004,842 58.856,843 86.705,844 83.254,848 31.278,849 55.428,850 58.856,851 83.254,854 68.975,855 45.342,856 32.633,857 15.274,858 66.591,860 58.856,861 138.682,863 31.278,865 58.856,869 32.633,870 72.478,871 33.571,872 31.278,873 58.856,874 83.254,875 86.705,878 58.856,879 41.58,880 45.125,881 16.786,882 66.468,883 58.856,884 83.254,885 86.705,887 0.58,888 0.346,889 0.206,890 0.102,891 14,892 5,893 0.04,894 1,895 1,896 1.143,897 2.787,898 104.977,899 0.143,900 14,901 58.603,902 1,904 8.858,905 3.311,906 1.413,907 1.753,908 66.468,909 9.671,910 8.571,911 2.992,913 1.643,914 2.415,916 49.683,917 228.815,918 24.5,926 23.251,927 25.744,928 0.373,929 0.778,930 0.935,931 0.981,932 0.981,933 0.981,934 4.44,935 0.409,936 5.263,937 1.372,938 3.892,939 4.605,941 6.094,942 3.75,943 5.672,944 -0.438,945 6.823,946 1.093,947 3.434,948 4.407,950 7.018,951 3.249,952 6.991,953 -0.84,954 8.489,955 -1.075,956 5.485,957 6.923,959 10.169,960 5.226,961 8.356,962 -1,963 10.219,964 -2.057,965 5.916,966 7.655,968 11.984,969 5.608,970 9.756,971 -1.396,972 11.993,973 -2.901,974 7.398,975 9.555,977 14.629,978 7.04,979 11.183,980 -1.618,981 13.796,982 -3.132,983 8.23,984 10.716,986 16.787,987 7.823,988 12.63,989 -1.746,990 15.62,991 -4.372,992 9.496,993 12.375,995 19.267,996 9.045,997 3.166,998 -1.834,999 17.461,1000 -5.099,1001 10.506,1002 13.733,1004 21.561,1005 10.007,1006 2.597,1007 10.934,1008 19.313,1009 -5.506,1010 11.69,1011 15.299,1013 23.984,1014 11.15,1015 2,1016 8.051,1017 21.175,1018 4.557,1019 12.777,1020 16.744,1022 26.333,1023 12.189,1024 1.702,1025 5.399,1026 23.045,1027 3.608,1028 13.934,1029 18.275,1031 28.735,1032 13.303,1033 1.381,1034 4.734,1035 24.92,1036 2.818,1037 15.054,1038 19.758,1040 31.108,1041 14.376,1042 1,1043 3.371,1044 26.8,1045 2.492,1046 16.203,1047 21.278,1049 33.503,1050 15.479,1051 0.618,1052 2.328,1053 28.684,1054 2.013,1055 17.338,1056 22.778,1058 35.886,1059 16.568,1060 1577,1061 2826,1062 11.731,1063 17.193,1064 26.055,1065 25.643,1066 25.998,1067 25.7,1068 25.746,1069 36.947,1071 74.567,1072 23.81,1073 5.28,1074 5.174,1075 6.312,1076 5.206,1077 5.166,1078 7.557,1080 18.14,1081 4.964,1082 4.32,1083 1.533,1084 1.508,1085 1.529,1086 1.512,1087 1.514,1088 2.173,1090 4.386,1091 1.401,1092 4.108,1093 4.151,1094 4.255,1095 4.018,1096 5.262,1097 4.006,1098 3.783,1099 3.8,1100 3.983,1101 3.772,1102 4.865,1103 3.72,1104 3.348,1105 3.43,1106 3.277,1107 3.103,1108 4.598,1109 3.137,1110 2.869,1111 2.924,1112 2.794,1113 2.753,1114 4.28,1115 2.756,1116 2.748,1117 2.891,1118 2.682,1119 2.391,1120 3.824,1121 2.417,1122 2.391,1123 2.475,1124 2.558,1125 2.376,1126 3.244,1127 2.235,1128 2.195,1129 2.279,1130 2.14,1131 2.071,1132 3.123,1133 2.028,1134 2.097,1135 2.207,1136 1.874,1137 1.727,1138 3.013,1139 1.738,1140 0.271,1141 0.187,1142 0.395,1143 0.242,1144 0.186,1145 4.609,1146 0.268,1147 3.174,1149 6.713,1150 0.643,1151 4.119,1152 0.177,1153 3.166,1154 4.557,1156 10.934,1157 3.013,1158 1.879,1159 1.851,1160 1.932,1161 1.999,1162 1.051,1163 1.986,1164 1.484,1165 1.437,1166 1.646,1167 1.74,1168 0.693,1169 1.699,1170 1.408,1171 1.366,1172 1.522,1173 1.558,1174 0.574,1175 1.585,1176 1.218,1177 1.194,1178 1.2,1179 1.242,1180 0.287,1181 1.327,1182 0.852,1183 0.788,1184 1.042,1185 1.106,1186 0.084,1187 1.095,1188 0.555,1189 0.444,1190 0.88,1191 0.931,1193 0.942,1194 0.239,1195 0.096,1196 0.604,1197 0.576,1199 0.594,1202 0.345,1203 0.121,1205 0.204,1206 3.555,1208 4.875,1209 3.045,1210 6.385,1211 5.283,1212 7.991,1213 7.286,1214 9.653,1220 5.622,1231 16.326,1232 38.823,1233 80.923,1234 97.287,1235 102.042,1236 102.042,1237 102.042,1238 13.004,1239 6.159,1240 67.59,1241 95.83,1242 16,1243 12.063,1244 4,1245 3.087,1246 19.807,1247 32,1248 28,1249 0.324,1250 105.257,1251 158.45,1252 248.588,1253 3009,1255 10.251,1256 0.683,1257 0.572,1258 10.604,1259 8.583,1260 7.343,1261 0.432,1262 0.316,1263 4.505,1264 6.625,1265 4.346,1266 3.596,1267 7.797,1268 5.365,1269 6.64,1270 0.277,1271 0.171,1272 7.223,1273 4.103,1274 5.653,1275 0.171,1276 0.092,1277 6.319,1278 3.05,1279 5.102,1280 0.111,1281 0.049,1282 5.775,1283 2.27,1284 3.668,1285 0.072,1286 0.024,1287 4.055,1288 1.219,1289 0.468,1290 50.161,1291 0.292,1292 14.737,1293 1.01,1294 82,1295 229.796,1296 111.304,1297 250.956,1298 352.93,1299 236,1300 98,1301 256.78,1302 123.701,1303 275.341,1304 404.64,1305 260,1306 4.097} {0 CHEMBL2153263,1 1.688,2 5.6,3 1.599,4 2.556,5 60.706,6 9.404,7 0.882,8 3.305,9 3.421,10 3.145,11 2.959,12 4.513,13 2.923,14 3.73,15 3.859,16 3.468,17 3.32,18 4.933,19 3.266,20 3.822,21 4.011,22 3.279,23 3.221,24 4.952,25 3.169,26 3.761,27 3.957,28 3.296,29 3.165,30 4.874,31 3.104,32 3.642,33 3.826,34 3.195,35 3.079,36 4.814,37 2.975,38 3.559,39 3.791,40 2.837,41 2.865,42 4.531,43 2.659,44 3.112,45 3.409,46 1.909,47 2.161,48 3.973,49 1.868,50 2.427,51 2.769,52 0.564,53 1.417,54 2.927,55 1.018,56 0.048,57 0.403,58 3.341,59 1.779,60 6.156,61 1.761,62 0.113,63 0.624,64 7.471,65 3.34,66 9.519,67 3.464,68 0.144,69 0.646,70 7.989,71 3.165,72 13.365,73 3.362,74 0.122,75 0.601,76 7.809,77 3.167,78 10.773,79 3.716,80 0.119,81 0.545,82 6.608,83 2.818,84 13.18,85 3.019,86 0.113,87 0.469,88 9.043,89 3.312,90 11.61,91 3.593,92 0.091,93 0.274,94 8.882,95 2.619,96 10.209,97 2.959,98 0.05,99 0.118,100 6.14,101 1.698,102 5.711,103 1.903,104 2,105 24,106 0.336,107 0.707,108 0.849,109 0.883,110 0.883,111 0.883,112 2.798,113 0.956,114 -2.35,115 -2.39,116 -2.35,119 43.5,133 2,134 1,136 1,137 2,142 2,143 1,151 1,152 1,153 1,154 1,159 1,162 2,163 1,164 2,165 1,166 1,167 1,168 2,171 1,172 3,182 2,185 1,187 2,190 1,192 1,194 1,196 1,197 1,199 2,202 1,204 1,211 2,213 1,215 1,222 1,226 1,255 196,256 10.361,257 10.361,258 10.361,259 10.361,260 10.361,261 8.621,262 3.162,263 6.16,264 10.782,265 8.426,266 8.426,267 8.426,268 8.426,269 8.426,270 5.861,271 2.5,272 2.934,273 9.08,274 2.836,275 0.972,276 0.261,277 0.087,278 0.087,279 0.087,280 3.469,284 1,285 185,286 1.581,288 56.712,289 31.9,291 48.148,295 0.827,296 9.539,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 32,307 84,308 4.609,309 3.174,310 6.713,311 4.129,312 3.166,313 4.557,315 10.934,316 3.048,317 4.007,318 2.619,319 5.824,320 3.546,321 2.597,322 3.608,324 8.051,325 2.463,326 3.426,327 2.078,328 4.853,329 2.917,330 2,331 2.818,333 5.399,334 1.831,335 3.177,336 1.711,337 4.645,338 2.626,339 1.702,340 2.492,342 4.734,343 1.565,344 2.852,345 1.4,346 4.032,347 2.316,348 1.381,349 2.013,351 3.371,352 1.287,353 2.464,354 1,355 3.41,356 1.866,357 1,358 1.448,360 2.328,361 0.848,362 2.118,363 0.618,364 3.111,365 1.504,366 0.618,367 0.927,369 1.372,370 0.532,371 1.905,372 0.409,373 3,374 1.323,375 0.409,376 0.611,378 1.093,379 0.371,380 0.965,381 -0.341,382 2.4,383 0.494,384 -0.438,385 -0.581,386 -1.075,387 -0.406,388 0.5,389 -0.714,390 2.173,391 0.086,392 -0.84,393 -1.036,394 -2.057,395 -0.772,396 0.421,397 -1,398 2,399 -0.049,400 -1,401 -1.5,402 -2.901,403 -0.946,404 0.033,405 -1.391,406 1.715,407 -0.517,408 -1.396,409 -1.914,411 -3.132,412 -1.153,413 -0.118,414 -1.618,415 1.179,416 -0.664,417 -1.618,418 -2.427,420 -4.372,421 -1.544,422 -0.33,423 -1.711,424 1.057,425 -0.825,426 -1.746,427 -2.528,429 -5.099,430 -1.611,431 -0.356,432 -1.834,433 1,434 -0.937,435 -1.834,436 -2.631,438 -5.506,439 -1.679,440 7.433,441 0.496,442 0.329,443 0.022,444 22.75,445 1.517,446 12.5,447 0.833,448 10.25,449 0.683,450 8.045,451 0.536,452 14.767,453 0.642,454 12.212,455 0.814,456 4.354,457 0.29,458 2.99,459 0.199,460 0.054,462 0.336,466 1.164,467 1.022,468 0.696,469 0.667,470 1.256,471 0.646,472 0.664,473 0.975,474 0.977,475 1.016,476 0.535,477 0.886,478 1.304,479 1.005,480 0.875,481 0.829,482 1.124,483 0.946,484 0.915,485 1.044,486 0.656,487 0.811,488 0.764,489 0.875,490 1.106,491 1.028,492 0.958,493 0.983,494 1.174,495 1.098,496 1.098,497 1.05,498 1.298,499 1.255,500 1.125,501 1.318,502 0.9,503 1.04,504 1.518,505 1.479,506 1.389,507 1.314,508 0.683,509 0.714,510 1.903,511 1.562,512 0.911,513 1.136,514 2.5,516 1.556,517 1.035,518 0.528,519 0.389,520 0.106,521 0.041,524 1611,525 4976,526 2.186,527 34.8,529 2,530 2,531 1,532 3,536 1.536,537 2.093,538 2.577,539 1.378,543 1,545 38.823,546 1.688,547 3.551,548 4.263,549 4.437,550 4.437,551 4.437,552 1.909,553 2.974,554 3.883,555 2.607,556 273.717,557 6.529,558 2206.87,560 1,563 104.042,564 1.231,565 3.859,566 0.147,568 0.065,569 0.052,570 0.028,571 0.026,572 0.013,573 0.02,576 0.351,577 0.67,578 1,579 0.521,580 56.876,581 -0.271,582 0.028,583 0.023,584 0.149,585 -0.355,586 0.116,587 0.218,588 0.057,589 -0.116,590 -0.103,591 0.198,592 -0.062,593 -0.244,594 -0.015,595 -0.162,596 -0.057,597 -0.188,598 -0.103,599 0.049,600 -0.106,601 0.113,602 0.009,603 0.104,604 0.037,605 -0.112,606 -0.041,607 -0.064,608 -0.075,609 -0.115,610 -0.207,611 -0.164,612 -0.137,613 -0.108,614 -0.139,615 -0.173,616 -0.247,617 0.06,618 -0.214,619 -0.053,620 -0.188,621 -0.036,622 -0.037,623 0.17,624 0.033,625 -0.068,626 0.005,627 0.211,628 0.383,629 1.241,630 1.621,631 0.933,632 6.453,633 1.011,634 1.119,635 1.124,636 1.264,637 0.748,638 2.89,639 3.219,640 3.526,641 3.85,642 3.951,643 3.989,644 4.043,645 4.025,646 3.761,647 3.555,648 3.596,649 0.71,650 216.29,651 2.89,652 4.419,653 5.283,654 6.176,655 7.06,656 7.958,657 8.849,658 9.747,659 10.641,660 11.539,661 17.4,665 1,669 1,671 2,674 2,675 5,676 2,677 1,679 1,680 3,682 15,691 1,699 23,700 15,702 17,704 25,705 10,706 10,710 3,711 4,721 10,733 1,736 8,737 3,738 3,739 5,740 1,742 1,743 4,747 0.667,754 1,759 2,760 1,762 1,777 2,779 1,785 15,786 1,797 1,808 7.167,809 4.067,810 3.25,811 1.196,812 2.89,813 1.469,814 1.086,815 1.955,816 9.049,817 3.239,818 3.922,819 4.605,820 5.299,821 5.731,822 6.116,823 6.548,824 6.914,825 6.925,826 7.116,827 0.75,828 20,829 5.478,830 -0.001,831 2.344,832 7.678,833 10.434,835 8.605,837 2.178,838 32.667,839 0.004,842 58.856,843 86.705,844 83.254,848 31.278,849 55.428,850 58.856,851 83.254,854 67.148,855 45.342,856 35.819,857 25.686,858 54.82,860 58.856,861 138.682,863 31.278,865 58.856,869 32.633,870 72.478,871 33.571,872 31.278,873 58.856,874 83.254,875 86.705,878 58.856,879 43.407,880 43.298,881 16.786,882 66.468,883 58.856,884 83.254,885 86.705,887 0.58,888 0.346,889 0.206,890 0.102,891 14,892 5,893 0.04,894 1,895 1,896 1.143,897 2.787,898 104.977,899 0.143,900 14,901 58.603,902 1,904 8.858,905 3.311,906 1.413,907 1.747,908 66.468,909 9.72,910 8.565,911 2.991,913 1.641,914 2.383,916 49.683,917 228.815,918 24.5,926 23.251,927 25.744,928 0.373,929 0.785,930 0.942,931 0.981,932 0.981,933 0.981,934 4.44,935 0.409,936 5.263,937 1.372,938 3.892,939 4.605,941 6.094,942 3.764,943 5.672,944 -0.438,945 6.823,946 1.093,947 3.434,948 4.407,950 7.018,951 3.317,952 6.991,953 -0.84,954 8.489,955 -1.075,956 5.485,957 6.923,959 10.169,960 5.274,961 8.356,962 -1,963 10.219,964 -2.057,965 5.916,966 7.655,968 11.984,969 5.707,970 9.756,971 -1.396,972 11.993,973 -2.901,974 7.398,975 9.555,977 14.629,978 7.123,979 11.183,980 -1.618,981 13.796,982 -3.132,983 8.23,984 10.716,986 16.787,987 7.942,988 12.63,989 -1.746,990 15.62,991 -4.372,992 9.496,993 12.375,995 19.267,996 9.159,997 3.166,998 -1.834,999 17.461,1000 -5.099,1001 10.506,1002 13.733,1004 21.561,1005 10.143,1006 2.597,1007 10.934,1008 19.313,1009 -5.506,1010 11.69,1011 15.299,1013 23.984,1014 11.287,1015 2,1016 8.051,1017 21.175,1018 4.557,1019 12.777,1020 16.744,1022 26.333,1023 12.342,1024 1.702,1025 5.399,1026 23.045,1027 3.608,1028 13.934,1029 18.275,1031 28.735,1032 13.461,1033 1.381,1034 4.734,1035 24.92,1036 2.818,1037 15.054,1038 19.758,1040 31.108,1041 14.546,1042 1,1043 3.371,1044 26.8,1045 2.492,1046 16.203,1047 21.278,1049 33.503,1050 15.658,1051 0.618,1052 2.328,1053 28.684,1054 2.013,1055 17.338,1056 22.778,1058 35.886,1059 16.757,1060 1577,1061 2853,1062 11.731,1063 17.193,1064 26.055,1065 25.643,1066 25.998,1067 25.679,1068 25.746,1069 36.947,1071 74.567,1072 23.893,1073 5.28,1074 5.174,1075 6.312,1076 5.21,1077 5.166,1078 7.557,1080 18.14,1081 4.999,1082 4.32,1083 1.533,1084 1.508,1085 1.529,1086 1.511,1087 1.514,1088 2.173,1090 4.386,1091 1.405,1092 4.111,1093 4.154,1094 4.231,1095 4.013,1096 5.262,1097 4.007,1098 3.781,1099 3.797,1100 4.008,1101 3.777,1102 4.868,1103 3.718,1104 3.344,1105 3.424,1106 3.297,1107 3.104,1108 4.585,1109 3.135,1110 2.842,1111 2.894,1112 2.908,1113 2.765,1114 4.278,1115 2.735,1116 2.748,1117 2.889,1118 2.558,1119 2.391,1120 3.813,1121 2.416,1122 2.471,1123 2.558,1124 2.474,1125 2.368,1126 3.263,1127 2.3,1128 2.174,1129 2.273,1130 2.192,1131 2.067,1132 3.174,1133 1.999,1134 2.096,1135 2.207,1136 1.875,1137 1.727,1138 2.997,1139 1.738,1140 0.271,1141 0.187,1142 0.395,1143 0.243,1144 0.186,1145 4.609,1146 0.268,1147 3.174,1149 6.713,1150 0.643,1151 4.129,1152 0.179,1153 3.166,1154 4.557,1156 10.934,1157 3.048,1158 1.886,1159 1.857,1160 1.946,1161 2.008,1162 1.059,1163 1.993,1164 1.486,1165 1.437,1166 1.617,1167 1.746,1168 0.69,1169 1.706,1170 1.343,1171 1.324,1172 1.48,1173 1.494,1174 0.55,1175 1.514,1176 1.266,1177 1.225,1178 1.235,1179 1.274,1180 0.3,1181 1.379,1182 0.855,1183 0.789,1184 1.048,1185 1.107,1186 0.094,1187 1.095,1188 0.568,1189 0.456,1190 0.907,1191 0.956,1193 0.958,1194 0.242,1195 0.097,1196 0.602,1197 0.584,1199 0.598,1202 0.428,1203 0.198,1205 0.29,1206 3.555,1208 4.875,1209 3.045,1210 6.385,1211 5.283,1212 7.991,1213 7.286,1214 9.653,1220 5.621,1231 16.326,1232 38.823,1233 81.677,1234 98.042,1235 102.042,1236 102.042,1237 102.042,1238 12.975,1239 6.159,1240 67.59,1241 95.83,1242 16,1243 12.063,1244 4,1245 3.087,1246 19.807,1247 32,1248 28,1249 0.324,1250 105.257,1251 158.45,1252 248.588,1253 3009,1255 10.251,1256 0.683,1257 0.572,1258 10.604,1259 8.583,1260 7.343,1261 0.432,1262 0.319,1263 4.497,1264 6.614,1265 4.327,1266 3.583,1267 7.843,1268 5.415,1269 6.64,1270 0.277,1271 0.165,1272 7.138,1273 3.97,1274 5.653,1275 0.171,1276 0.088,1277 6.167,1278 2.897,1279 5.102,1280 0.111,1281 0.048,1282 5.688,1283 2.205,1284 3.668,1285 0.072,1286 0.023,1287 4.006,1288 1.184,1289 0.468,1290 50.619,1291 0.292,1292 14.737,1293 1.01,1294 82,1295 229.796,1296 107.963,1297 251.247,1298 351.55,1299 236,1300 98,1301 255.437,1302 120.082,1303 273.329,1304 399.51,1305 257,1306 4.959} {0 CHEMBL2153264,1 1.516,2 6.25,3 1.215,4 1.476,5 59.221,6 8.45,7 0.889,8 3.38,9 3.513,10 3.059,11 2.924,12 4.62,13 2.945,14 3.804,15 3.959,16 3.405,17 3.272,18 5.042,19 3.276,20 3.953,21 4.161,22 3.347,23 3.279,24 5.111,25 3.264,26 3.854,27 4.062,28 3.225,29 3.17,30 4.992,31 3.139,32 3.729,33 3.935,34 3.084,35 3.029,36 4.952,37 3.004,38 3.679,39 3.919,40 2.721,41 2.9,42 4.766,43 2.807,44 3.421,45 3.706,46 2.107,47 2.495,48 4.361,49 2.333,50 2.954,51 3.29,52 1.158,53 1.856,54 3.742,55 1.599,56 0.051,57 0.443,58 3.988,59 1.654,60 6.885,61 1.974,62 0.121,63 0.664,64 6.598,65 2.806,66 11.587,67 3.516,68 0.194,69 0.713,70 9.374,71 3.028,72 18.414,73 3.927,74 0.139,75 0.635,76 8.508,77 3.099,78 13.279,79 4.16,80 0.15,81 0.564,82 7.303,83 2.442,84 16.093,85 3.172,86 0.148,87 0.487,88 7.777,89 2.599,90 16.846,91 3.484,92 0.106,93 0.332,94 6.998,95 2.259,96 12.588,97 3.244,98 0.072,99 0.175,100 5.153,101 1.586,102 10.172,103 2.427,104 2,105 25,106 0.296,107 0.617,108 0.781,109 0.874,110 0.89,111 0.89,112 2.856,113 0.81,114 -2.05,115 -2.1,116 -2.08,119 44,133 4,136 2,137 3,143 1,151 1,152 1,153 1,154 1,159 2,162 3,163 1,164 2,165 1,166 1,167 1,168 1,171 2,172 3,181 1,182 2,185 1,187 1,192 1,194 3,196 1,197 2,199 1,202 1,206 1,208 1,209 1,211 2,213 1,215 1,222 2,224 1,226 1,234 1,239 1,255 246,256 11.069,257 11.069,258 11.069,259 11.069,260 11.069,261 9.199,262 3.162,263 6.66,264 11.341,265 8.926,266 8.926,267 8.926,268 8.926,269 8.926,270 6.195,271 2.5,272 3.184,273 9.377,274 3.128,275 1.481,276 0.64,277 0.16,278 0.08,279 0.08,280 3.533,284 1,285 219,286 1.581,288 27.435,289 75.736,291 52.147,295 0.906,296 11.681,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 34.5,307 100,308 4.607,309 3.172,310 6.712,311 4.125,312 3.165,313 4.556,315 10.933,316 3.038,317 3.993,318 2.609,319 5.821,320 3.535,321 2.586,322 3.584,324 8.042,325 2.454,326 3.43,327 2.076,328 4.849,329 2.933,330 2,331 2.828,333 5.387,334 1.862,335 3.201,336 1.743,337 4.639,338 2.698,339 1.732,340 2.522,342 4.713,343 1.671,344 2.861,345 1.407,346 4.031,347 2.337,348 1.389,349 2.027,351 3.402,352 1.314,353 2.705,354 1.22,355 3.537,356 2.176,357 1.219,358 1.803,360 2.785,361 1.163,362 2.5,363 1,364 3.247,365 1.958,366 1,367 1.5,369 2.136,370 0.955,371 1.956,372 0.47,373 3.211,374 1.399,375 0.47,376 0.695,378 1.269,379 0.436,380 1.042,381 -0.3,382 2.468,383 0.586,384 -0.363,385 -0.488,386 -0.872,387 -0.343,388 0.631,389 -0.598,390 2.237,391 0.205,392 -0.729,393 -0.902,394 -1.688,395 -0.68,396 0.5,397 -0.967,398 2,399 -0.022,400 -1,401 -1.444,402 -2.347,403 -0.936,404 0.5,405 -1,406 1.754,407 -0.045,408 -1,409 -1.5,411 -2.356,412 -0.951,413 0.375,414 -1,415 1.555,416 -0.06,417 -1,418 -1.5,420 -2.905,421 -0.976,422 -0.327,423 -1.699,424 1.179,425 -0.798,426 -1.732,427 -2.292,429 -4.789,430 -1.604,431 -0.342,432 -1.773,433 1.061,434 -0.838,435 -1.778,436 -2.541,438 -5.099,439 -1.654,440 7.5,441 0.469,442 0.329,443 0.021,444 25.75,445 1.609,446 14.5,447 0.906,448 11.25,449 0.703,450 7.476,451 0.467,452 15.9,453 0.636,454 14.808,455 0.926,456 5.18,457 0.324,458 2.663,459 0.166,460 0.053,462 0.333,466 1.125,467 1.252,468 0.712,469 0.86,470 1.198,471 0.739,472 0.733,473 1.132,474 0.747,475 1.018,476 0.648,477 0.912,478 1.218,479 0.95,480 0.984,481 0.836,482 1.072,483 0.86,484 0.859,485 1.129,486 0.893,487 1.072,488 0.722,489 1.005,490 1.152,491 1.071,492 1.083,493 1.038,494 1.137,495 1.045,496 1.182,497 0.896,498 1.336,499 1.118,500 1.159,501 1.229,502 1.046,503 0.927,504 1.312,505 1.192,506 1.149,507 1.28,508 0.795,509 0.77,510 1.179,511 1.105,512 1.272,513 1.193,514 2.5,516 1.556,517 1.194,518 0.559,519 0.407,520 0.19,521 0.047,522 0.02,524 1937,525 5518,526 2.174,527 36,529 4,531 2,532 3,536 1.556,537 2.087,538 2.705,539 1.311,543 1,545 37.904,546 1.516,547 3.163,548 4.004,549 4.484,550 4.564,551 4.564,552 2.127,553 3.625,554 3.976,555 2.734,556 328.041,557 6.713,558 2759.12,560 1,563 116.096,564 1.198,565 3.954,566 0.139,568 0.062,569 0.052,570 0.028,571 0.024,572 0.017,573 0.009,574 0.02,576 0.352,577 0.67,578 1,579 0.5,580 62.753,581 -0.239,582 -0.136,583 0.011,584 0.044,585 -0.321,586 0.068,587 0.178,588 -0.053,589 0.033,590 -0.103,591 0.118,592 -0.07,593 -0.149,594 0.077,595 -0.071,596 0.071,597 -0.136,598 0.026,599 0.085,600 -0.154,601 0.034,602 -0.122,603 0.133,604 -0.067,605 -0.085,606 -0.052,607 -0.173,608 -0.138,609 -0.052,610 -0.165,611 -0.214,612 0.037,613 -0.347,614 -0.155,615 -0.179,616 -0.252,617 -0.149,618 -0.118,619 -0.185,620 -0.158,621 -0.118,622 -0.174,623 0.06,624 -0.092,625 0.118,626 0.006,627 -0.021,628 0.06,629 1.278,630 1.623,631 0.938,632 7.5,633 1.011,634 1.133,635 0.816,636 0.666,637 0.702,638 2.944,639 3.258,640 3.555,641 3.871,642 4.06,643 4.025,644 4.111,645 4.127,646 3.932,647 3.807,648 3.846,649 0.686,650 211.25,651 2.944,652 4.466,653 5.323,654 6.209,655 7.088,656 7.98,657 8.867,658 9.762,659 10.652,660 11.547,661 20,665 1,669 1,671 3,674 2,675 6,676 3,677 1,680 3,682 16,691 1,699 25,700 16,702 18,704 27,705 11,706 11,710 3,711 4,721 11,733 1,736 9,737 4,738 3,739 5,742 1,743 5,747 0.667,754 2,759 1,760 2,762 1,777 2,785 16,786 1,808 7.667,809 4.433,810 3.5,811 1.34,812 3.154,813 1.5,814 1.067,815 1.997,816 9.461,817 3.296,818 3.966,819 4.638,820 5.324,821 5.868,822 6.149,823 6.611,824 7.011,825 7.109,826 7.371,827 1,828 23,829 5.829,831 2.472,832 7.74,833 10.98,835 8.868,837 2.24,838 35.833,839 0.002,842 70.627,843 67.701,844 100.039,849 67.701,850 70.627,851 100.039,854 70.802,855 73.899,856 44.437,857 2.144,858 47.084,860 70.627,861 167.74,865 70.627,869 44.437,870 72.946,871 50.357,873 70.627,874 100.039,875 67.701,878 70.627,879 11.701,880 56,881 16.786,882 83.254,883 70.627,884 100.039,885 67.701,887 0.575,888 0.34,889 0.202,890 0.112,891 14,892 5,893 0.037,894 1,895 1,896 1.133,897 2.883,898 113.864,899 0.133,900 15,901 64,904 9.158,905 3.488,906 1.52,907 1.617,908 83.254,909 10.953,910 12.75,911 2.967,914 1.922,916 49.683,917 238.367,918 26,926 25.276,927 28.322,928 0.326,929 0.681,930 0.862,931 0.966,932 0.983,933 0.983,934 4.489,935 0.47,936 5.293,937 2.136,938 3.932,939 4.649,941 6.111,942 3.836,943 5.714,944 -0.363,945 6.845,946 1.269,947 3.434,948 4.407,950 7.018,951 3.295,952 7.026,953 -0.729,954 8.503,955 -0.872,956 5.509,957 6.953,959 10.173,960 5.325,961 8.382,962 -1,963 10.228,964 -1.688,965 5.889,966 7.618,968 11.979,969 5.662,970 9.773,971 -1,972 11.997,973 -2.347,974 7.41,975 9.574,977 14.629,978 7.145,979 11.193,980 -1,981 13.798,982 -2.356,983 8.208,984 10.685,986 16.785,987 7.901,988 12.634,989 -1.732,990 15.621,991 -2.905,992 9.498,993 12.384,995 19.266,996 9.154,997 3.165,998 -1.778,999 17.46,1000 -4.789,1001 10.489,1002 13.712,1004 21.56,1005 10.104,1006 2.586,1007 10.933,1008 19.312,1009 -5.099,1010 11.685,1011 15.301,1013 23.982,1014 11.264,1015 2,1016 8.042,1017 21.174,1018 4.556,1019 12.763,1020 16.73,1022 26.332,1023 12.301,1024 1.732,1025 5.387,1026 23.043,1027 3.584,1028 13.925,1029 18.273,1031 28.734,1032 13.425,1033 1.389,1034 4.713,1035 24.918,1036 2.828,1037 15.041,1038 19.748,1040 31.107,1041 14.501,1042 1.219,1043 3.402,1044 26.798,1045 2.522,1046 16.192,1047 21.273,1049 33.501,1050 15.613,1051 1,1052 2.785,1053 28.682,1054 2.027,1055 17.326,1056 22.77,1058 35.884,1059 16.706,1060 1890,1061 3279,1062 12.425,1063 17.551,1064 27.393,1065 27.04,1066 27.65,1067 27.121,1068 27.122,1069 39.027,1071 77.331,1072 25.787,1073 5.238,1074 5.172,1075 6.514,1076 5.167,1077 5.165,1078 7.556,1080 18.133,1081 4.996,1082 4.554,1083 1.522,1084 1.502,1085 1.536,1086 1.507,1087 1.507,1088 2.168,1090 4.296,1091 1.433,1092 4.108,1093 4.155,1094 4.083,1095 3.968,1096 5.265,1097 3.991,1098 3.805,1099 3.853,1100 3.745,1101 3.685,1102 4.94,1103 3.693,1104 3.358,1105 3.441,1106 3.281,1107 3.111,1108 4.742,1109 3.146,1110 2.976,1111 3.025,1112 2.89,1113 2.884,1114 4.285,1115 2.879,1116 2.773,1117 2.891,1118 2.628,1119 2.594,1120 3.879,1121 2.592,1122 2.749,1123 2.856,1124 2.558,1125 2.397,1126 3.812,1127 2.421,1128 2.465,1129 2.556,1130 2.367,1131 2.216,1132 3.516,1133 2.245,1134 2.108,1135 2.246,1136 1.88,1137 1.727,1138 3.146,1139 1.739,1140 0.256,1141 0.176,1142 0.373,1143 0.229,1144 0.176,1145 4.607,1146 0.253,1147 3.172,1149 6.712,1150 0.607,1151 4.125,1152 0.169,1153 3.165,1154 4.556,1156 10.933,1157 3.038,1158 1.929,1159 1.897,1160 2.001,1161 2.052,1162 1.075,1163 2.039,1164 1.721,1165 1.68,1166 1.84,1167 1.868,1168 0.873,1169 1.862,1170 1.392,1171 1.31,1172 1.524,1173 1.708,1174 0.389,1175 1.667,1176 0.928,1177 0.874,1178 1.161,1179 1.112,1180 0.208,1181 1.117,1182 0.835,1183 0.767,1184 1.057,1185 1.091,1186 0.09,1187 1.095,1188 0.729,1189 0.646,1190 1.001,1191 0.993,1193 1.014,1194 0.444,1195 0.304,1196 0.787,1197 0.84,1199 0.833,1200 0.183,1201 0.052,1202 0.577,1203 0.522,1205 0.544,1206 3.611,1208 4.92,1209 2.398,1210 6.438,1211 4.727,1212 8.051,1213 6.823,1214 9.715,1220 5.623,1231 17.161,1232 37.904,1233 79.077,1234 100.096,1235 112.096,1236 114.096,1237 114.096,1238 14.441,1239 6.306,1240 80.48,1241 80.48,1242 17,1243 12.073,1244 4.087,1245 3.17,1246 21.661,1247 36,1248 34,1249 0.307,1250 107.586,1251 165.6,1252 254.269,1253 3729,1255 10.958,1256 0.685,1257 0.524,1258 10.958,1259 8.383,1260 7.843,1261 0.436,1262 0.27,1263 4.787,1264 7.544,1265 4.713,1266 3.916,1267 7.843,1268 4.86,1269 6.993,1270 0.28,1271 0.136,1272 6.993,1273 3.393,1274 5.903,1275 0.174,1276 0.068,1277 5.903,1278 2.327,1279 5.279,1280 0.112,1281 0.035,1282 5.279,1283 1.645,1284 4.28,1285 0.075,1286 0.018,1287 4.28,1288 1.053,1289 0.449,1290 49.073,1291 0.284,1292 15.759,1293 0.94,1294 86,1295 248.58,1296 94.742,1297 248.976,1298 351.67,1299 234,1300 102,1301 272.845,1302 110.909,1303 277.243,1304 406,1305 262,1306 5.301} {0 CHEMBL2153265,1 1.516,2 6.25,3 0.786,4 0.618,5 59.593,6 8.45,7 0.889,8 3.38,9 3.513,10 3.059,11 2.924,12 4.623,13 2.945,14 3.804,15 3.96,16 3.4,17 3.281,18 5.033,19 3.282,20 3.947,21 4.146,22 3.342,23 3.302,24 5.093,25 3.281,26 3.892,27 4.108,28 3.223,29 3.201,30 5.006,31 3.161,32 3.748,33 3.952,34 3.087,35 3.054,36 4.963,37 3.02,38 3.705,39 3.952,40 2.742,41 2.874,42 4.781,43 2.786,44 3.394,45 3.691,46 2.111,47 2.422,48 4.397,49 2.269,50 2.912,51 3.257,52 1.136,53 1.771,54 3.693,55 1.531,56 0.051,57 0.443,58 3.988,59 1.654,60 6.965,61 1.974,62 0.129,63 0.663,64 6.651,65 2.801,66 12.111,67 3.49,68 0.16,69 0.712,70 8.993,71 3.108,72 15.949,73 4,74 0.153,75 0.649,76 9.129,77 3.293,78 14.659,79 4.445,80 0.141,81 0.572,82 7.384,83 2.608,84 15.964,85 3.407,86 0.146,87 0.497,88 8.156,89 2.642,90 15.118,91 3.614,92 0.13,93 0.321,94 7.091,95 2.154,96 16.35,97 3.14,98 0.081,99 0.167,100 5.072,101 1.419,102 10.008,103 2.192,104 2,105 25,106 0.296,107 0.636,108 0.8,109 0.874,110 0.89,111 0.89,112 2.856,113 0.808,114 -1.78,115 -1.84,116 -1.86,119 44,133 3,134 1,136 3,137 2,143 1,151 1,152 1,153 1,154 1,159 2,162 4,163 1,164 2,165 1,166 1,167 1,168 1,171 1,172 4,181 1,182 2,185 1,187 2,190 1,192 1,193 1,194 1,196 1,197 1,199 2,202 1,204 1,206 1,209 1,211 2,213 1,215 1,219 1,220 1,222 1,226 1,255 246,256 11.069,257 11.069,258 11.069,259 11.069,260 11.069,261 9.199,262 3.162,263 6.66,264 11.343,265 8.926,266 8.926,267 8.926,268 8.926,269 8.926,270 6.195,271 2.5,272 3.184,273 9.371,274 3.128,275 1.381,276 0.54,277 0.16,278 0.08,279 0.08,280 3.533,284 1,285 219,286 1.581,288 27.435,289 75.736,291 52.147,295 0.906,296 11.403,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 34.5,307 100,308 4.607,309 3.172,310 6.712,311 4.129,312 3.165,313 4.556,315 10.933,316 3.053,317 3.993,318 2.609,319 5.821,320 3.547,321 2.586,322 3.584,324 8.042,325 2.486,326 3.43,327 2.076,328 4.849,329 2.932,330 2,331 2.828,333 5.387,334 1.858,335 3.201,336 1.743,337 4.639,338 2.688,339 1.732,340 2.522,342 4.713,343 1.654,344 2.861,345 1.407,346 4.031,347 2.334,348 1.389,349 2.027,351 3.402,352 1.31,353 2.705,354 1.22,355 3.537,356 2.17,357 1.219,358 1.803,360 2.785,361 1.156,362 2.5,363 1,364 3.247,365 1.956,366 1,367 1.5,369 2.136,370 0.953,371 1.956,372 0.47,373 3.211,374 1.401,375 0.47,376 0.695,378 1.269,379 0.437,380 1.042,381 -0.3,382 2.468,383 0.584,384 -0.363,385 -0.488,386 -0.872,387 -0.342,388 0.631,389 -0.598,390 2.237,391 0.203,392 -0.729,393 -0.902,394 -1.688,395 -0.678,396 0.5,397 -0.967,398 2,399 -0.023,400 -1,401 -1.444,402 -2.347,403 -0.935,404 0.5,405 -1,406 1.754,407 -0.045,408 -1,409 -1.5,411 -2.356,412 -0.951,413 0.375,414 -1,415 1.555,416 -0.06,417 -1,418 -1.5,420 -2.905,421 -0.977,422 -0.327,423 -1.699,424 1.179,425 -0.794,426 -1.732,427 -2.292,429 -4.789,430 -1.605,431 -0.342,432 -1.773,433 1.061,434 -0.837,435 -1.778,436 -2.541,438 -5.099,439 -1.66,440 7.5,441 0.469,442 0.329,443 0.021,444 25.75,445 1.609,446 14.5,447 0.906,448 11.25,449 0.703,450 7.492,451 0.468,452 15.9,453 0.636,454 14.792,455 0.925,456 5.18,457 0.324,458 2.664,459 0.166,460 0.053,462 0.333,466 1.125,467 1.252,468 0.712,469 0.86,470 1.179,471 0.739,472 0.767,473 1.039,474 0.763,475 0.949,476 0.674,477 0.874,478 1.194,479 1.059,480 1.008,481 0.943,482 1.057,483 0.941,484 0.859,485 1.027,486 0.908,487 1.016,488 0.74,489 0.98,490 1.045,491 1.109,492 1.083,493 1.122,494 1.052,495 1.112,496 1.165,497 1.044,498 1.286,499 1.186,500 1.147,501 1.244,502 0.996,503 0.768,504 1.229,505 1.039,506 1.249,507 1.15,508 1.014,509 0.67,510 1.183,511 0.923,512 1.216,513 1.053,514 2.5,516 1.556,517 1.194,518 0.559,519 0.407,520 0.19,521 0.047,522 0.02,524 1937,525 5598,526 2.174,527 36,529 3,531 3,532 3,536 1.556,537 2.087,538 2.705,539 1.311,543 1,545 37.904,546 1.516,547 3.263,548 4.103,549 4.484,550 4.564,551 4.564,552 2.127,553 3.625,554 3.976,555 2.734,556 328.041,557 6.713,558 2759.12,560 1,563 116.096,564 1.198,565 3.954,566 0.139,568 0.062,569 0.052,570 0.028,571 0.024,572 0.017,573 0.009,574 0.02,576 0.352,577 0.67,578 1,579 0.5,580 62.753,581 -0.239,582 -0.136,583 0.011,584 0.044,585 -0.301,586 0.068,587 0.142,588 0.044,589 0.017,590 -0.031,591 0.09,592 -0.031,593 -0.205,594 -0.038,595 -0.122,596 -0.021,597 -0.176,598 -0.049,599 0.069,600 -0.067,601 0.037,602 -0.051,603 0.109,604 -0.02,605 -0.035,606 -0.104,607 -0.178,608 -0.204,609 -0.006,610 -0.215,611 -0.158,612 -0.126,613 -0.269,614 -0.231,615 -0.158,616 -0.263,617 -0.004,618 0.044,619 -0.061,620 -0.02,621 -0.029,622 -0.045,623 -0.042,624 0.022,625 0.145,626 0.161,627 -0.007,628 0.183,629 1.27,630 1.627,631 0.938,632 7.5,633 1.011,634 1.133,635 0.548,636 0.3,637 0.702,638 2.944,639 3.258,640 3.555,641 3.871,642 4.06,643 4.025,644 4.111,645 4.127,646 3.932,647 3.807,648 3.846,649 0.686,650 211.25,651 2.944,652 4.466,653 5.323,654 6.209,655 7.088,656 7.98,657 8.867,658 9.762,659 10.652,660 11.547,661 20,665 1,669 1,671 3,674 2,675 6,676 3,677 1,680 3,682 16,691 1,699 25,700 16,702 18,704 27,705 11,706 11,710 3,711 4,721 11,733 1,736 9,737 4,738 3,739 5,742 1,743 5,747 0.667,754 2,759 1,760 2,762 1,777 2,785 16,786 1,808 7.667,809 4.433,810 3.5,811 1.329,812 3.154,813 1.5,814 1.067,815 1.997,816 9.461,817 3.296,818 3.966,819 4.638,820 5.324,821 5.868,822 6.149,823 6.611,824 7.011,825 7.109,826 7.371,827 1,828 23,829 5.826,831 2.468,832 7.74,833 10.98,835 8.877,837 2.24,838 35.833,839 0.002,842 70.627,843 67.701,844 100.039,849 67.701,850 70.627,851 100.039,854 61.326,855 85.67,856 53.913,857 2.144,858 35.313,860 70.627,861 167.74,865 70.627,869 50.728,870 66.656,871 50.357,873 70.627,874 100.039,875 67.701,878 70.627,879 12.13,880 55.571,881 16.786,882 83.254,883 70.627,884 100.039,885 67.701,887 0.575,888 0.34,889 0.202,890 0.112,891 14,892 5,893 0.037,894 1,895 1,896 1.133,897 2.883,898 113.864,899 0.133,900 15,901 64,904 9.158,905 3.488,906 1.52,907 1.652,908 83.254,909 10.863,910 12.599,911 2.975,914 2.117,916 49.683,917 238.367,918 26,926 25.276,927 28.322,928 0.326,929 0.703,930 0.884,931 0.966,932 0.983,933 0.983,934 4.489,935 0.47,936 5.293,937 2.136,938 3.932,939 4.649,941 6.111,942 3.84,943 5.714,944 -0.363,945 6.845,946 1.269,947 3.434,948 4.407,950 7.018,951 3.317,952 7.026,953 -0.729,954 8.503,955 -0.872,956 5.509,957 6.953,959 10.173,960 5.341,961 8.382,962 -1,963 10.228,964 -1.688,965 5.889,966 7.618,968 11.979,969 5.697,970 9.773,971 -1,972 11.997,973 -2.347,974 7.41,975 9.574,977 14.629,978 7.176,979 11.193,980 -1,981 13.798,982 -2.356,983 8.208,984 10.685,986 16.785,987 7.946,988 12.634,989 -1.732,990 15.621,991 -2.905,992 9.498,993 12.384,995 19.266,996 9.197,997 3.165,998 -1.778,999 17.46,1000 -4.789,1001 10.489,1002 13.712,1004 21.56,1005 10.157,1006 2.586,1007 10.933,1008 19.312,1009 -5.099,1010 11.685,1011 15.301,1013 23.982,1014 11.318,1015 2,1016 8.042,1017 21.174,1018 4.556,1019 12.763,1020 16.73,1022 26.332,1023 12.361,1024 1.732,1025 5.387,1026 23.043,1027 3.584,1028 13.925,1029 18.273,1031 28.734,1032 13.488,1033 1.389,1034 4.713,1035 24.918,1036 2.828,1037 15.041,1038 19.748,1040 31.107,1041 14.569,1042 1.219,1043 3.402,1044 26.798,1045 2.522,1046 16.192,1047 21.273,1049 33.501,1050 15.685,1051 1,1052 2.785,1053 28.682,1054 2.027,1055 17.326,1056 22.77,1058 35.884,1059 16.782,1060 1890,1061 3297,1062 12.425,1063 17.551,1064 27.393,1065 27.04,1066 27.65,1067 27.114,1068 27.122,1069 39.027,1071 77.331,1072 25.814,1073 5.238,1074 5.172,1075 6.514,1076 5.168,1077 5.165,1078 7.556,1080 18.133,1081 5.004,1082 4.554,1083 1.522,1084 1.502,1085 1.536,1086 1.506,1087 1.507,1088 2.168,1090 4.296,1091 1.434,1092 4.11,1093 4.156,1094 4.084,1095 3.975,1096 5.264,1097 3.997,1098 3.803,1099 3.852,1100 3.744,1101 3.677,1102 4.936,1103 3.688,1104 3.355,1105 3.438,1106 3.278,1107 3.107,1108 4.765,1109 3.142,1110 2.969,1111 3.02,1112 2.882,1113 2.871,1114 4.287,1115 2.866,1116 2.757,1117 2.891,1118 2.621,1119 2.546,1120 3.896,1121 2.555,1122 2.748,1123 2.843,1124 2.558,1125 2.406,1126 3.786,1127 2.425,1128 2.518,1129 2.604,1130 2.394,1131 2.305,1132 3.499,1133 2.32,1134 2.11,1135 2.248,1136 1.882,1137 1.727,1138 3.142,1139 1.739,1140 0.256,1141 0.176,1142 0.373,1143 0.229,1144 0.176,1145 4.607,1146 0.253,1147 3.172,1149 6.712,1150 0.607,1151 4.129,1152 0.17,1153 3.165,1154 4.556,1156 10.933,1157 3.053,1158 1.938,1159 1.908,1160 2.009,1161 2.054,1162 1.097,1163 2.043,1164 1.708,1165 1.666,1166 1.825,1167 1.865,1168 0.857,1169 1.856,1170 1.388,1171 1.304,1172 1.521,1173 1.706,1174 0.376,1175 1.664,1176 0.927,1177 0.872,1178 1.16,1179 1.112,1180 0.208,1181 1.117,1182 0.833,1183 0.765,1184 1.045,1185 1.09,1186 0.054,1187 1.095,1188 0.704,1189 0.617,1190 0.988,1191 0.98,1193 0.994,1194 0.492,1195 0.365,1196 0.862,1197 0.867,1199 0.874,1200 0.216,1201 0.078,1202 0.595,1203 0.553,1205 0.575,1206 3.611,1208 4.92,1209 2.398,1210 6.438,1211 4.727,1212 8.051,1213 6.823,1214 9.715,1220 5.627,1231 17.161,1232 37.904,1233 81.567,1234 102.587,1235 112.096,1236 114.096,1237 114.096,1238 14.434,1239 6.306,1240 80.48,1241 80.48,1242 17,1243 12.073,1244 4.087,1245 3.17,1246 21.661,1247 36,1248 34,1249 0.307,1250 107.586,1251 165.6,1252 254.269,1253 3729,1255 10.958,1256 0.685,1257 0.524,1258 10.958,1259 8.383,1260 7.843,1261 0.436,1262 0.269,1263 4.775,1264 7.539,1265 4.699,1266 3.906,1267 7.843,1268 4.85,1269 6.993,1270 0.28,1271 0.137,1272 6.993,1273 3.419,1274 5.903,1275 0.174,1276 0.069,1277 5.903,1278 2.354,1279 5.279,1280 0.112,1281 0.035,1282 5.279,1283 1.668,1284 4.28,1285 0.075,1286 0.019,1287 4.28,1288 1.064,1289 0.449,1290 49.119,1291 0.284,1292 15.759,1293 0.94,1294 86,1295 248.58,1296 94.409,1297 249.168,1298 350.75,1299 234,1300 102,1301 270.493,1302 110.548,1303 275.843,1304 402.56,1305 260,1306 5} {0 CHEMBL2153266,1 1.462,2 7.8,3 2.123,4 4.508,5 75.671,6 8.429,7 0.913,8 3.59,9 3.712,10 3.276,11 3.194,12 4.801,13 3.2,14 4.037,15 4.178,16 3.65,17 3.581,18 5.236,19 3.57,20 4.228,21 4.415,22 3.643,23 3.644,24 5.359,25 3.612,26 4.201,27 4.411,28 3.501,29 3.551,30 5.286,31 3.495,32 4.058,33 4.265,34 3.357,35 3.399,36 5.189,37 3.343,38 3.98,39 4.21,40 3.186,41 3.255,42 5.045,43 3.19,44 3.793,45 4.029,46 3.005,47 3.081,48 4.882,49 3.017,50 3.635,51 3.876,52 2.689,53 2.89,54 4.64,55 2.79,56 0.04,57 0.516,58 4.826,59 2.195,60 7.184,61 2.546,62 0.11,63 0.809,64 8.082,65 3.753,66 12.006,67 4.59,68 0.146,69 0.941,70 11.594,71 4.512,72 17.579,73 5.598,74 0.161,75 0.89,76 12.251,77 4.772,78 18.066,79 6.191,80 0.142,81 0.775,82 10.428,83 4.057,84 18.831,85 5.235,86 0.134,87 0.7,88 10.443,89 3.79,90 16.702,91 4.973,92 0.13,93 0.576,94 8.922,95 3.14,96 18.016,97 4.135,98 0.088,99 0.474,100 7.619,101 2.797,102 11.54,103 3.699,104 2,105 33,106 0.267,107 0.592,108 0.778,109 0.881,110 0.893,111 0.893,112 3.06,113 0.817,114 -2.7,115 -2.71,116 -2.64,119 48.4,133 6,134 2,136 2,137 3,143 1,151 1,152 1,153 1,154 1,159 6,162 5,163 1,164 2,165 1,166 1,167 1,168 6,171 1,172 6,178 5,181 1,182 3,185 1,187 2,190 4,192 1,193 1,194 2,196 1,197 1,199 2,202 2,204 1,206 4,209 1,211 2,213 1,215 1,217 3,219 1,220 1,222 2,224 1,226 1,229 1,234 3,237 2,239 1,247 3,250 1,252 2,255 434,256 13.878,257 13.878,258 13.878,259 13.878,260 13.878,261 11.492,262 3.162,263 8.156,264 14.142,265 11.397,266 11.397,267 11.397,268 11.397,269 11.397,270 7.839,271 2.5,272 3.892,273 11.837,274 3.492,275 1.71,276 0.694,277 0.129,278 0.065,279 0.065,280 3.763,283 1,284 1,285 352,286 1.871,288 34.461,289 125.552,291 64.516,292 70.518,295 1.14,296 13.019,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 42.5,307 156,308 4.623,309 3.187,310 6.72,311 4.148,312 3.181,313 4.575,315 10.967,316 3.08,317 4.379,318 2.89,319 6.181,320 3.861,321 2.885,322 4.311,324 9.208,325 2.814,326 3.856,327 2.488,328 5.768,329 3.42,330 2.46,331 3.366,333 7.845,334 2.363,335 3.349,336 2.011,337 4.836,338 2.873,339 1.933,340 2.697,342 5.34,343 1.808,344 3.118,345 1.618,346 4.624,347 2.587,348 1.618,349 2.427,351 4.64,352 1.567,353 3.071,354 1.573,355 4.406,356 2.546,357 1.572,358 2.355,360 4.287,361 1.528,362 2.87,363 1.405,364 3.986,365 2.357,366 1.391,367 2.045,369 3.3,370 1.345,371 2.808,372 1.323,373 3.61,374 2.273,375 1.318,376 1.957,378 2.953,379 1.251,380 2.188,381 0.7,382 3.285,383 1.658,384 0.7,385 1.037,386 1.661,387 0.669,388 1.951,389 0.463,390 3.146,391 1.401,392 0.463,393 0.686,394 1.24,395 0.434,396 1.138,397 -0.258,398 2.621,399 0.671,400 -0.29,401 -0.401,402 -0.72,403 -0.278,404 0.882,405 -0.481,406 2.32,407 0.363,408 -0.59,409 -0.778,411 -1.417,412 -0.556,413 0.839,414 -0.618,415 2.185,416 0.355,417 -0.618,418 -0.927,420 -1.602,421 -0.603,422 0.5,423 -0.804,424 2,425 0.06,426 -0.886,427 -1.185,429 -2.181,430 -0.836,431 0.43,432 -1,433 2,434 -0.049,435 -1,436 -1.5,438 -2.901,439 -0.947,440 9.5,441 0.475,442 0.448,443 0.022,444 32.25,445 1.613,446 18.5,447 0.925,448 13.75,449 0.688,450 10.502,451 0.525,452 19.3,453 0.623,454 20.087,455 1.004,456 6.386,457 0.319,458 3.423,459 0.171,460 0.042,462 0.368,466 1.074,467 1.114,468 0.699,469 0.8,470 1.161,471 0.713,472 0.696,473 1.018,474 0.745,475 0.941,476 0.632,477 0.869,478 1.151,479 1.052,480 0.981,481 0.952,482 0.991,483 0.942,484 0.941,485 0.997,486 0.999,487 1.023,488 0.845,489 1.021,490 0.962,491 1.051,492 1.043,493 1.083,494 1.013,495 1.077,496 1.102,497 1.053,498 1.064,499 1.04,500 1.026,501 1.045,502 1.126,503 0.872,504 1.017,505 0.876,506 1.188,507 0.918,508 1.145,509 1.009,510 1.211,511 1.111,512 1.048,513 1.159,514 3.5,515 0.012,516 2.222,517 1.319,518 1.004,519 0.601,520 0.278,521 0.177,522 0.119,523 0.03,524 3892,525 10275,526 2.226,527 35.5,529 6,531 2,532 3,536 1.62,537 2.143,538 2.984,539 1.103,541 1,543 1,545 45.313,546 1.462,547 3.244,548 4.26,549 4.825,550 4.89,551 4.89,552 2.423,553 3.922,554 4.298,555 3.058,556 580.968,557 7.349,558 5710.42,559 1,560 1,562 1,563 153.58,564 1.188,565 4.278,566 0.152,567 0.012,568 0.067,569 0.041,570 0.037,571 0.026,572 0.015,573 0.011,574 0.011,575 0.006,576 0.379,577 0.67,578 1,579 0.432,580 86.724,581 -0.186,582 -0.042,583 0.022,584 0.072,585 -0.286,586 0.078,587 0.191,588 0.027,589 0.026,590 -0.046,591 0.116,592 -0.038,593 -0.147,594 -0.035,595 -0.093,596 -0.032,597 -0.104,598 -0.049,599 0.022,600 -0.026,601 -0.044,602 -0.061,603 0.026,604 -0.063,605 0.032,606 -0.07,607 -0.094,608 -0.134,609 0.01,610 -0.134,611 -0.063,612 -0.09,613 -0.052,614 -0.072,615 -0.033,616 -0.062,617 -0.074,618 0.092,619 0.013,620 0.102,621 -0.044,622 0.077,623 -0.192,624 -0.086,625 -0.171,626 -0.108,627 -0.102,628 -0.13,629 1.275,630 1.718,631 0.95,632 11.8,633 1.005,634 1.121,635 1.467,636 2.154,637 0.72,638 3.178,639 3.526,640 3.85,641 4.174,642 4.419,643 4.466,644 4.625,645 4.762,646 4.812,647 4.804,648 4.661,649 0.7,650 261.31,651 3.178,652 4.727,653 5.602,654 6.5,655 7.391,656 8.292,657 9.189,658 10.091,659 10.99,660 11.893,661 16.1,665 1,669 1,671 3,674 4,675 8,676 3,677 1,680 3,682 21,691 1,699 31,700 21,701 1,702 23,704 34,705 15,706 15,707 2,708 4,710 4,711 6,721 15,732 1,733 1,736 11,737 4,738 3,739 5,742 1,743 5,747 0.5,754 2,759 1,760 3,762 1,763 1,777 2,785 20,786 1,808 9.333,809 5.6,810 4.278,811 1.736,812 4.344,813 1.603,814 1.103,815 2.361,816 11.549,817 3.541,818 4.259,819 4.969,820 5.668,821 6.275,822 6.649,823 7.171,824 7.679,825 8.067,826 8.403,827 1,828 32,829 7.314,831 3.174,832 7.658,833 13.944,835 11.659,837 2.158,838 43.167,839 0.001,842 94.169,843 91.799,844 100.039,849 91.799,850 94.169,851 100.039,854 89.755,855 73.899,856 49.583,857 2.144,858 70.627,860 94.169,861 191.838,865 94.169,869 43.824,870 97.657,871 50.357,873 94.169,874 100.039,875 91.799,878 94.169,879 16.847,880 74.952,881 16.786,882 83.254,883 94.169,884 100.039,885 91.799,887 0.585,888 0.35,889 0.204,890 0.113,891 19,892 7,893 0.029,894 1,895 2,896 1.211,897 3.294,898 162.478,899 0.211,900 19,901 86.439,904 11.236,905 4.203,906 1.81,907 3.681,908 83.254,909 15.465,910 13.183,911 3.012,914 2.109,916 49.683,917 286.007,918 33.5,926 31.16,927 34.737,928 0.295,929 0.655,930 0.86,931 0.974,932 0.987,933 0.987,934 4.756,935 1.318,936 5.587,937 3.3,938 4.205,939 4.945,941 6.425,942 4.133,943 6.001,944 0.7,945 7.154,946 2.953,947 3.761,948 4.808,950 7.345,951 3.663,952 7.331,953 0.463,954 8.822,955 1.661,956 5.814,957 7.308,959 10.484,960 5.68,961 8.702,962 -0.29,963 10.55,964 1.24,965 6.217,966 8.038,968 12.261,969 6.055,970 10.106,971 -0.59,972 12.319,973 -0.72,974 7.724,975 9.967,977 14.897,978 7.534,979 11.534,980 -0.618,981 14.114,982 -1.417,983 8.525,984 11.112,986 17.019,987 8.305,988 12.982,989 -0.886,990 15.93,991 -1.602,992 9.807,993 12.796,995 19.485,996 9.559,997 3.181,998 -1,999 17.761,1000 -2.181,1001 10.792,1002 14.137,1004 21.752,1005 10.512,1006 2.885,1007 10.967,1008 19.602,1009 -2.901,1010 11.982,1011 15.716,1013 24.159,1014 11.674,1015 2.46,1016 9.208,1017 21.453,1018 4.575,1019 13.05,1020 17.145,1022 26.489,1023 12.71,1024 1.933,1025 7.845,1026 23.31,1027 4.311,1028 14.205,1029 18.679,1031 28.878,1032 13.835,1033 1.618,1034 5.34,1035 25.173,1036 3.366,1037 15.312,1038 20.149,1040 31.237,1041 14.909,1042 1.572,1043 4.64,1044 27.041,1045 2.697,1046 16.455,1047 21.665,1049 33.623,1050 16.022,1051 1.391,1052 4.287,1053 28.913,1054 2.427,1055 17.58,1056 23.154,1058 35.997,1059 17.114,1060 3617,1061 5985,1062 16.008,1063 22.313,1064 35.295,1065 34.969,1066 35.735,1067 35.03,1068 35.043,1069 50.912,1071 102.881,1072 33.716,1073 5.27,1074 5.187,1075 6.408,1076 5.192,1077 5.181,1078 7.575,1080 18.202,1081 5.08,1082 5.433,1083 1.535,1084 1.52,1085 1.554,1086 1.523,1087 1.524,1088 2.214,1090 4.473,1091 1.466,1092 4.14,1093 4.179,1094 4.112,1095 4.042,1096 5.265,1097 4.052,1098 3.993,1099 4.031,1100 3.954,1101 3.878,1102 5,1103 3.895,1104 3.483,1105 3.539,1106 3.414,1107 3.367,1108 4.808,1109 3.37,1110 3.31,1111 3.383,1112 3.22,1113 3.092,1114 4.373,1115 3.12,1116 2.996,1117 3.057,1118 2.899,1119 2.86,1120 4.277,1121 2.86,1122 2.837,1123 2.894,1124 2.756,1125 2.729,1126 3.959,1127 2.73,1128 2.748,1129 2.888,1130 2.558,1131 2.427,1132 3.776,1133 2.433,1134 2.557,1135 2.635,1136 2.42,1137 2.364,1138 3.368,1139 2.382,1140 0.201,1141 0.139,1142 0.292,1143 0.18,1144 0.138,1145 4.623,1146 0.199,1147 3.187,1149 6.72,1150 0.477,1151 4.148,1152 0.134,1153 3.181,1154 4.575,1156 10.967,1157 3.08,1158 2.051,1159 2.027,1160 2.123,1161 2.135,1162 1.23,1163 2.133,1164 1.841,1165 1.809,1166 1.916,1167 1.965,1168 1.011,1169 1.954,1170 1.47,1171 1.417,1172 1.609,1173 1.736,1174 0.657,1175 1.696,1176 1.33,1177 1.257,1178 1.485,1179 1.518,1180 0.326,1181 1.527,1182 0.983,1183 0.926,1184 1.209,1185 1.157,1186 0.241,1187 1.177,1188 0.865,1189 0.803,1190 1.06,1191 1.107,1192 0.138,1193 1.095,1194 0.736,1195 0.677,1196 0.982,1197 1.006,1198 0.005,1199 1.01,1200 0.543,1201 0.443,1202 0.891,1203 0.807,1205 0.842,1206 3.85,1208 5.187,1209 2.398,1210 6.732,1211 4.727,1212 8.372,1213 6.823,1214 10.059,1220 5.718,1231 21.687,1232 45.313,1233 100.561,1234 132.07,1235 149.58,1236 151.58,1237 151.58,1238 19.482,1239 7.204,1240 80.48,1241 80.48,1242 23,1243 12.414,1244 4.459,1245 3.524,1246 26.112,1247 56,1248 50,1249 0.236,1250 132.707,1251 206.26,1252 315.565,1253 12298,1255 13.527,1256 0.676,1257 0.527,1258 13.527,1259 10.538,1260 9.81,1261 0.427,1262 0.272,1263 6.191,1264 9.513,1265 6.081,1266 5.035,1267 9.81,1268 6.265,1269 8.973,1270 0.272,1271 0.139,1272 8.973,1273 4.594,1274 7.833,1275 0.17,1276 0.071,1277 7.833,1278 3.283,1279 7.015,1280 0.11,1281 0.037,1282 7.015,1283 2.366,1284 5.896,1285 0.072,1286 0.02,1287 5.896,1288 1.601,1289 0.355,1290 60.871,1291 0.25,1292 19.493,1293 0.689,1294 112,1295 298.58,1296 120.742,1297 301.592,1298 430.57,1299 284,1300 135,1301 336.845,1302 144.048,1303 344.709,1304 507.15,1305 326,1306 5.155} {0 CHEMBL2153267,1 1.46,2 6.25,3 1.937,4 3.752,5 61.75,6 8.087,7 0.889,8 3.401,9 3.531,10 3.047,11 2.983,12 4.604,13 2.983,14 3.832,15 3.981,16 3.394,17 3.346,18 5.022,19 3.324,20 4.007,21 4.213,22 3.336,23 3.371,24 5.099,25 3.326,26 3.937,27 4.154,28 3.215,29 3.266,30 4.999,31 3.206,32 3.803,33 4.013,34 3.072,35 3.134,36 4.956,37 3.077,38 3.761,39 4.002,40 2.724,41 2.988,42 4.776,43 2.872,44 3.502,45 3.794,46 2.117,47 2.56,48 4.411,49 2.378,50 3.042,51 3.393,52 1.162,53 1.9,54 3.788,55 1.627,56 0.032,57 0.429,58 4.52,59 1.874,60 6.487,61 2.338,62 0.093,63 0.657,64 7.368,65 3.253,66 10.728,67 4.209,68 0.125,69 0.736,70 10.413,71 3.71,72 15.436,73 4.963,74 0.094,75 0.669,76 10.01,77 3.745,78 12.481,79 5.137,80 0.107,81 0.595,82 8.487,83 2.982,84 15.909,85 3.989,86 0.095,87 0.531,88 8.816,89 3.084,90 14.489,91 4.23,92 0.08,93 0.372,94 7.815,95 2.645,96 13.624,97 3.83,98 0.063,99 0.207,100 5.698,101 1.807,102 10.648,103 2.748,104 2,105 25,106 0.282,107 0.597,108 0.729,109 0.814,110 0.835,111 0.835,112 2.856,113 0.833,114 -2.85,115 -2.86,116 -2.76,119 46.2,133 6,134 1,136 1,137 2,143 1,151 1,152 1,153 1,154 1,159 6,162 2,163 1,164 2,165 1,166 1,167 1,168 6,171 1,172 4,178 3,182 4,185 1,187 2,190 1,192 1,194 3,196 1,197 1,199 3,202 2,204 1,206 1,211 4,213 2,215 2,222 3,224 1,226 2,234 1,239 1,255 246,256 11.069,257 11.069,258 11.069,259 11.069,260 11.069,261 9.199,262 3.162,263 6.66,264 11.278,265 8.926,266 8.926,267 8.926,268 8.926,269 8.926,270 6.195,271 2.5,272 3.184,273 9.276,274 3.24,275 1.612,276 0.933,277 0.491,278 0.385,279 0.385,280 3.533,284 1,285 219,286 1.581,288 27.435,289 75.736,291 52.147,295 0.906,296 9.506,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 34,307 100,308 4.607,309 3.172,310 6.712,311 4.129,312 3.165,313 4.556,315 10.933,316 3.055,317 3.993,318 2.609,319 5.821,320 3.552,321 2.586,322 3.584,324 8.042,325 2.5,326 3.43,327 2.076,328 4.849,329 2.941,330 2,331 2.828,333 5.387,334 1.876,335 3.201,336 1.743,337 4.639,338 2.704,339 1.732,340 2.522,342 4.713,343 1.68,344 2.861,345 1.407,346 4.031,347 2.338,348 1.389,349 2.027,351 3.402,352 1.316,353 2.705,354 1.22,355 3.537,356 2.186,357 1.219,358 1.803,360 2.785,361 1.175,362 2.5,363 1,364 3.247,365 2,366 1,367 1.5,369 2.136,370 1,371 1.956,372 0.47,373 3.211,374 1.403,375 0.47,376 0.695,378 1.269,379 0.438,380 1.042,381 -0.3,382 2.468,383 0.593,384 -0.363,385 -0.488,386 -0.872,387 -0.345,388 0.631,389 -0.598,390 2.237,391 0.218,392 -0.729,393 -0.902,394 -1.688,395 -0.688,396 0.5,397 -0.967,398 2,400 -1,401 -1.444,402 -2.347,403 -0.943,404 0.5,405 -1,406 1.754,407 -0.035,408 -1,409 -1.5,411 -2.356,412 -0.966,413 0.375,414 -1,415 1.555,416 -0.052,417 -1,418 -1.5,420 -2.905,421 -1,422 -0.327,423 -1.699,424 1.179,425 -0.791,426 -1.732,427 -2.292,429 -4.789,430 -1.606,431 -0.342,432 -1.773,433 1.061,434 -0.836,435 -1.778,436 -2.541,438 -5.099,439 -1.664,440 7.6,441 0.475,442 0.329,443 0.021,444 25.25,445 1.578,446 14.5,447 0.906,448 10.75,449 0.672,450 7.711,451 0.482,452 15.8,453 0.608,454 14.573,455 0.911,456 5.099,457 0.319,458 2.744,459 0.172,460 0.053,462 0.329,466 1.134,467 1.116,468 0.747,469 0.81,470 1.227,471 0.738,472 0.593,473 1.034,474 0.775,475 1.013,476 0.583,477 0.939,478 1.159,479 0.999,480 0.984,481 0.919,482 1.013,483 0.924,484 0.891,485 1.099,486 0.911,487 1.036,488 0.732,489 0.988,490 1.21,491 1.057,492 1.108,493 1.033,494 1.136,495 1.051,496 1.253,497 1.056,498 1.323,499 1.188,500 1.173,501 1.251,502 1.017,503 0.968,504 1.226,505 1.156,506 1.231,507 1.209,508 0.855,509 0.733,510 1.066,511 0.951,512 1.272,513 1.022,514 2.5,516 1.556,517 1.194,518 0.559,519 0.407,520 0.19,521 0.047,522 0.02,524 1937,525 5150,526 2.174,527 38.5,529 6,531 1,532 3,536 1.556,537 2.087,538 2.705,539 1.25,543 1,545 37.973,546 1.46,547 3.088,548 3.767,549 4.21,550 4.316,551 4.316,552 2.127,553 3.625,554 3.976,555 2.734,556 328.041,557 6.713,558 2759.12,560 1,563 122.211,564 1.198,565 3.954,566 0.139,568 0.062,569 0.052,570 0.028,571 0.024,572 0.017,573 0.009,574 0.02,576 0.352,577 0.67,578 1,579 0.5,580 62.753,581 -0.205,582 -0.013,583 0.013,584 0.09,585 -0.313,586 0.085,587 0.298,588 0.025,589 0.025,590 -0.091,591 0.159,592 -0.077,593 -0.122,594 0.016,595 -0.067,596 0.008,597 -0.113,598 -0.016,599 0.045,600 -0.137,601 0.034,602 -0.077,603 0.109,604 -0.034,605 -0.138,606 -0.043,607 -0.184,608 -0.116,609 -0.053,610 -0.149,611 -0.277,612 -0.117,613 -0.34,614 -0.23,615 -0.216,616 -0.282,617 -0.101,618 -0.134,619 -0.119,620 -0.136,621 -0.1,622 -0.131,623 0.045,625 0.189,626 0.134,627 0.011,628 0.173,629 1.25,630 1.643,631 0.938,632 7.5,633 1.002,634 1.125,635 1.617,636 2.614,637 0.704,638 2.944,639 3.258,640 3.555,641 3.871,642 4.06,643 4.025,644 4.111,645 4.127,646 3.932,647 3.807,648 3.846,649 0.679,650 210.26,651 2.944,652 4.466,653 5.323,654 6.209,655 7.088,656 7.98,657 8.867,658 9.762,659 10.652,660 11.547,661 15.4,665 1,669 1,671 2,674 2,675 7,676 2,677 1,680 3,682 16,691 1,699 26,700 16,701 1,702 18,704 28,705 12,706 12,707 1,708 5,710 3,711 4,721 12,733 1,736 10,737 3,738 3,739 4,742 1,743 4,747 0.667,754 1,759 1,760 2,762 1,777 2,785 16,786 1,808 7.667,809 4.567,810 3.5,811 1.418,812 3.154,813 1.5,814 1.071,815 2.031,816 9.461,817 3.296,818 3.966,819 4.638,820 5.324,821 5.868,822 6.149,823 6.611,824 7.011,825 7.109,826 7.371,827 1,828 23,829 5.84,831 2.476,832 7.677,833 11.11,835 9.06,837 2.177,838 34.833,839 0.003,842 82.398,843 78.035,844 83.254,849 78.035,850 82.398,851 83.254,854 89.755,855 45.342,856 35.819,857 2.144,858 70.627,860 82.398,861 161.288,865 82.398,869 32.633,870 95.084,871 33.571,873 82.398,874 83.254,875 78.035,878 82.398,879 12.13,880 65.905,881 16.786,882 66.468,883 82.398,884 83.254,885 78.035,887 0.575,888 0.34,889 0.202,890 0.112,891 14,892 5,893 0.036,894 1,895 1,896 1.133,897 2.883,898 113.864,899 0.133,900 15,901 60,904 9.218,905 3.524,906 1.539,907 1.72,908 66.468,909 13.562,910 8.602,911 2.995,914 2.311,916 49.683,917 243.686,918 26,926 26.058,927 29.239,928 0.311,929 0.657,930 0.801,931 0.896,932 0.918,933 0.918,934 4.489,935 0.47,936 5.293,937 2.136,938 3.932,939 4.649,941 6.111,942 3.857,943 5.714,944 -0.363,945 6.845,946 1.269,947 3.434,948 4.407,950 7.018,951 3.317,952 7.026,953 -0.729,954 8.503,955 -0.872,956 5.509,957 6.953,959 10.173,960 5.364,961 8.382,962 -1,963 10.228,964 -1.688,965 5.889,966 7.618,968 11.979,969 5.7,970 9.773,971 -1,972 11.997,973 -2.347,974 7.41,975 9.574,977 14.629,978 7.198,979 11.193,980 -1,981 13.798,982 -2.356,983 8.208,984 10.685,986 16.785,987 7.953,988 12.634,989 -1.732,990 15.621,991 -2.905,992 9.498,993 12.384,995 19.266,996 9.218,997 3.165,998 -1.778,999 17.46,1000 -4.789,1001 10.489,1002 13.712,1004 21.56,1005 10.168,1006 2.586,1007 10.933,1008 19.312,1009 -5.099,1010 11.685,1011 15.301,1013 23.982,1014 11.337,1015 2,1016 8.042,1017 21.174,1018 4.556,1019 12.763,1020 16.73,1022 26.332,1023 12.375,1024 1.732,1025 5.387,1026 23.043,1027 3.584,1028 13.925,1029 18.273,1031 28.734,1032 13.506,1033 1.389,1034 4.713,1035 24.918,1036 2.828,1037 15.041,1038 19.748,1040 31.107,1041 14.584,1042 1.219,1043 3.402,1044 26.798,1045 2.522,1046 16.192,1047 21.273,1049 33.501,1050 15.702,1051 1,1052 2.785,1053 28.682,1054 2.027,1055 17.326,1056 22.77,1058 35.884,1059 16.799,1060 1890,1061 3165,1062 12.425,1063 18.307,1064 27.393,1065 27.04,1066 27.65,1067 27.129,1068 27.122,1069 39.027,1071 77.331,1072 26.079,1073 5.238,1074 5.172,1075 6.514,1076 5.167,1077 5.165,1078 7.556,1080 18.133,1081 5.055,1082 4.554,1083 1.522,1084 1.502,1085 1.536,1086 1.507,1087 1.507,1088 2.168,1090 4.296,1091 1.449,1092 4.113,1093 4.157,1094 4.086,1095 3.99,1096 5.263,1097 4.007,1098 3.833,1099 3.872,1100 3.765,1101 3.745,1102 4.879,1103 3.747,1104 3.358,1105 3.441,1106 3.281,1107 3.111,1108 4.673,1109 3.146,1110 2.98,1111 3.029,1112 2.892,1113 2.89,1114 4.285,1115 2.884,1116 2.854,1117 2.925,1118 2.687,1119 2.735,1120 3.866,1121 2.715,1122 2.749,1123 2.891,1124 2.558,1125 2.415,1126 3.674,1127 2.43,1128 2.528,1129 2.612,1130 2.403,1131 2.317,1132 3.489,1133 2.335,1134 2.11,1135 2.248,1136 1.882,1137 1.727,1138 3.142,1139 1.739,1140 0.256,1141 0.176,1142 0.373,1143 0.229,1144 0.176,1145 4.607,1146 0.253,1147 3.172,1149 6.712,1150 0.607,1151 4.129,1152 0.17,1153 3.165,1154 4.556,1156 10.933,1157 3.055,1158 1.966,1159 1.94,1160 2.053,1161 2.059,1162 1.146,1163 2.057,1164 1.75,1165 1.714,1166 1.86,1167 1.877,1168 0.925,1169 1.878,1170 1.392,1171 1.31,1172 1.525,1173 1.709,1174 0.391,1175 1.668,1176 0.933,1177 0.879,1178 1.181,1179 1.113,1180 0.218,1181 1.119,1182 0.886,1183 0.821,1184 1.155,1185 1.093,1186 0.207,1187 1.107,1188 0.829,1189 0.761,1190 1.039,1191 1.062,1192 0.034,1193 1.095,1194 0.499,1195 0.372,1196 0.869,1197 0.879,1199 0.888,1200 0.216,1201 0.078,1202 0.595,1203 0.554,1205 0.575,1206 3.611,1208 4.92,1209 2.398,1210 6.438,1211 4.727,1212 8.051,1213 6.823,1214 9.715,1220 5.643,1231 17.666,1232 37.973,1233 80.295,1234 97.947,1235 109.457,1236 112.211,1237 112.211,1238 14.352,1239 6.306,1240 67.59,1241 67.59,1242 17,1243 12.073,1244 4.087,1245 3.17,1246 21.661,1247 36,1248 34,1249 0.307,1250 110.384,1251 171.9,1252 261.096,1253 3729,1255 10.958,1256 0.685,1257 0.532,1258 10.958,1259 8.513,1260 7.843,1261 0.436,1262 0.278,1263 4.943,1264 7.613,1265 4.853,1266 4.04,1267 7.843,1268 5,1269 6.993,1270 0.28,1271 0.142,1272 6.993,1273 3.544,1274 5.903,1275 0.174,1276 0.073,1277 5.903,1278 2.466,1279 5.279,1280 0.112,1281 0.037,1282 5.279,1283 1.762,1284 4.28,1285 0.075,1286 0.02,1287 4.28,1288 1.144,1289 0.449,1290 48.619,1291 0.284,1292 15.759,1293 0.94,1294 86,1295 228.935,1296 93.022,1297 231.928,1298 329.35,1299 218,1300 102,1301 256.38,1302 109.05,1303 262.203,1304 384,1305 248,1306 4.398} {0 CHEMBL2153411,1 1.509,2 7.85,3 4.631,4 21.442,5 82.794,6 8.947,7 0.913,8 3.573,9 3.669,10 3.377,11 3.299,12 4.722,13 3.249,14 4.025,15 4.144,16 3.768,17 3.694,18 5.144,19 3.614,20 4.211,21 4.382,22 3.824,23 3.726,24 5.234,25 3.627,26 4.148,27 4.339,28 3.604,29 3.609,30 5.146,31 3.49,32 3.996,33 4.187,34 3.437,35 3.464,36 5.031,37 3.364,38 3.927,39 4.102,40 3.37,41 3.413,42 4.995,43 3.308,44 3.859,45 4.076,46 3.026,47 3.264,48 4.793,49 3.119,50 3.578,51 3.792,52 2.643,53 2.992,54 4.502,55 2.85,56 0.014,57 0.425,58 4.566,59 2.399,60 4.631,61 2.78,62 0.078,63 0.712,64 8.192,65 4.087,66 9.351,67 4.724,68 0.1,69 0.899,70 14.7,71 5.723,72 10.893,73 6.518,74 0.108,75 0.85,76 15.428,77 5.967,78 12.055,79 6.558,80 0.088,81 0.721,82 12.221,83 4.729,84 12.074,85 5.179,86 0.084,87 0.677,88 10.748,89 4.194,90 12.319,91 4.397,92 0.094,93 0.611,94 11.467,95 4.412,96 11.802,97 5.055,98 0.041,99 0.42,100 7.636,101 3.306,102 7.754,103 4.252,105 32,106 0.276,107 0.517,108 0.657,109 0.801,110 0.858,111 0.858,112 3.059,113 0.936,114 -4.95,115 -4.85,116 -4.55,119 51.6,133 9,134 1,135 1,137 1,138 1,139 1,143 2,159 8,161 1,162 1,164 1,166 2,168 10,172 3,176 3,178 6,182 5,185 1,187 2,190 1,194 5,199 2,202 2,206 5,211 2,213 4,217 2,224 7,229 1,237 9,250 6,255 444,256 14.137,257 14.137,258 14.137,259 14.137,260 14.137,261 11.704,262 9.487,263 8.546,264 14.475,265 11.42,266 11.42,267 11.42,268 11.42,269 11.42,270 7.859,271 17.5,272 4.099,273 12.02,274 3.445,275 2.121,276 1.359,277 0.568,278 0.258,279 0.258,280 3.767,284 1,285 355,286 2,288 25.997,289 126.434,291 106.717,295 1.18,296 8.141,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 41.5,307 157,308 4.744,309 3.281,310 6.86,311 4.198,312 3.259,313 4.842,314 0.4,315 11.466,316 3.059,317 4.05,318 2.785,319 6.012,320 3.618,321 2.663,322 3.681,324 8.559,325 2.541,326 3.818,327 2.398,328 5.377,329 3.331,330 2.361,331 3.402,333 6.921,334 2.282,335 3.385,336 1.933,337 5.1,338 2.844,339 1.909,340 2.803,342 5.823,343 1.783,344 3.073,345 1.618,346 4.452,347 2.515,348 1.595,349 2.345,351 4.179,352 1.452,353 2.89,354 1.468,355 3.812,356 2.414,357 1.435,358 2.06,360 3.088,361 1.399,362 2.82,363 1.322,364 3.613,365 2.252,366 1.321,367 1.979,369 3.019,370 1.219,371 2.64,372 1.184,373 3.582,374 2.13,375 1.163,376 1.706,378 2.803,379 1.119,380 2.5,381 1,382 3.247,383 2,384 1,385 1.5,386 2.136,387 1,388 1.977,389 0.574,390 3.154,391 1.418,392 0.525,393 0.749,394 1.316,395 0.46,396 1.314,397 0.07,398 2.765,399 0.892,400 -0.032,401 -0.042,402 -0.082,403 -0.03,404 0.854,405 -0.505,406 2.413,407 0.364,408 -0.578,409 -0.798,411 -1.356,412 -0.536,413 0.799,414 -0.701,415 2.214,416 0.24,417 -0.701,418 -1.051,420 -1.78,421 -0.643,422 0.577,423 -0.884,424 2,425 0.063,426 -0.903,427 -1.322,429 -2.235,430 -0.871,431 0.5,432 -1,433 1.943,435 -1,436 -1.5,438 -2.347,439 -1,440 10.033,441 0.502,442 0.342,443 0.017,444 31.5,445 1.575,446 18.5,447 0.925,448 13,449 0.65,450 11.721,451 0.586,452 18.767,453 0.605,454 18.173,455 0.909,456 6.08,457 0.304,458 3.836,459 0.192,462 0.299,466 0.91,467 0.985,468 0.67,469 0.735,470 0.846,471 0.713,472 0.789,473 0.912,474 0.839,475 0.856,476 0.88,477 0.872,478 0.96,479 1.231,480 0.968,481 1.102,482 0.921,483 0.95,484 1.14,485 1.106,486 1.223,487 1.13,488 0.893,489 0.999,490 1.401,491 1.046,492 1.112,493 0.987,494 1.116,495 0.93,496 1.581,497 1.107,498 1.263,499 1.095,500 1.357,501 1.066,502 1.291,503 0.835,504 1.224,505 1.035,506 1.264,507 1.083,508 0.684,509 0.888,510 0.963,511 1.044,512 0.934,513 1.174,514 2.5,515 0.005,516 1.778,517 1.389,518 0.862,519 0.274,520 0.292,521 0.155,522 0.028,523 0.021,524 3979,525 10173,526 2.259,527 35.5,529 9,531 1,532 1,536 1.62,537 2.222,538 3.002,539 -0.32,545 46.771,546 1.509,547 2.833,548 3.595,549 4.386,550 4.696,551 4.696,552 2.466,553 3.409,554 4.295,555 3.095,556 587.992,557 7.346,558 5817.94,560 1,563 153.58,564 0.881,565 4.295,566 0.109,567 0.002,568 0.056,569 0.045,570 0.033,571 0.012,572 0.014,573 0.01,574 0.003,575 0.003,576 0.287,577 0.67,578 1,580 87.064,581 -0.056,582 -0.037,583 0.058,584 0.054,585 -0.088,586 0.047,587 0.17,588 0.072,589 0.019,590 0.014,591 -0.032,592 -0.068,593 0.116,594 -0.223,595 0.111,596 -0.088,597 0.01,598 -0.017,599 0.014,600 -0.07,601 -0.075,602 -0.068,603 0.099,604 -0.029,605 -0.209,606 -0.006,607 -0.093,608 -0.008,609 0.008,610 0.006,611 -0.342,612 -0.047,613 -0.249,614 -0.131,615 -0.233,616 -0.173,617 -0.302,618 0.142,619 -0.213,620 -0.029,621 -0.22,622 -0.065,623 -0.065,624 -0.045,625 -0.15,626 -0.131,627 -0.052,628 -0.133,629 0.803,630 1.431,631 0.95,632 13.22,633 0.997,634 1.099,635 3.718,636 13.826,637 0.765,638 3.178,639 3.497,640 3.829,641 4.159,642 4.419,643 4.477,644 4.644,645 4.804,646 4.754,647 4.779,648 4.758,649 0.721,650 277.37,651 3.178,652 4.71,653 5.58,654 6.469,655 7.361,656 8.262,657 9.163,658 10.07,659 10.976,660 11.886,661 9.7,669 1,671 2,674 4,675 10,676 2,679 1,680 2,682 21,692 1,699 31,700 21,701 2,702 23,704 34,705 16,706 16,707 3,708 9,710 4,711 7,721 16,733 1,736 11,737 3,738 1,739 4,740 1,743 3,747 0.5,755 1,759 1,760 3,762 2,777 2,779 1,785 20,790 1,797 1,808 9,809 5.65,810 4.361,811 1.803,812 4.258,813 1.591,814 1.089,815 2.766,816 11.46,817 3.541,818 4.23,819 4.94,820 5.651,821 6.284,822 6.667,823 7.19,824 7.709,825 7.945,826 8.31,827 1,828 31,829 7.336,831 3.143,832 7.517,833 14.244,835 11.926,837 2.017,838 40.333,839 0.001,842 117.711,843 136.476,844 51.582,848 31.278,849 105.198,850 117.711,851 51.582,854 85.286,855 45.342,856 34.103,857 3.82,858 137.218,860 117.711,861 156.78,863 31.278,865 117.711,869 28.773,870 94.435,871 33.571,872 31.278,873 117.711,874 51.582,875 136.476,878 117.711,879 42.571,880 93.905,881 18.011,882 33.571,883 117.711,884 51.582,885 136.476,887 0.573,888 0.342,889 0.202,890 0.114,891 18,892 6,893 0.059,894 2,895 2,896 1.211,897 3.352,898 160.363,899 0.211,900 19,901 82.439,902 1,904 11.653,905 4.748,906 2.03,907 4.529,908 51.582,909 20.005,910 8.817,913 1.72,914 1.896,916 18.011,917 305.769,918 33.5,926 30.916,927 34.076,928 0.305,929 0.572,930 0.726,931 0.885,932 0.948,933 0.948,934 4.738,935 1.163,936 5.541,937 3.019,938 4.174,939 4.916,940 0.278,941 6.368,942 4.069,943 5.963,944 1,945 7.094,946 2.803,947 3.611,948 4.691,950 7.286,951 3.436,952 7.28,953 0.525,954 8.756,955 2.136,956 5.759,957 7.265,958 0.05,959 10.458,960 5.546,961 8.642,962 -0.032,963 10.486,964 1.316,965 6.111,966 7.986,968 12.292,969 5.81,970 10.043,971 -0.578,972 12.262,973 -0.082,974 7.672,975 9.959,976 0.008,977 14.962,978 7.342,979 11.474,980 -0.701,981 14.07,982 -1.356,983 8.468,984 11.143,986 17.159,987 8.044,988 12.93,989 -0.903,990 15.901,991 -1.78,992 9.784,993 12.868,994 0.001,995 19.669,996 9.325,997 3.259,998 -1,999 17.75,1000 -2.235,1001 10.79,1002 14.272,1004 22.01,1005 10.24,1006 2.663,1007 11.466,1008 19.612,1009 -2.347,1010 12.01,1011 15.898,1013 24.469,1014 11.414,1015 2.361,1016 8.559,1017 21.486,1018 4.842,1019 13.109,1020 17.4,1022 26.867,1023 12.432,1024 1.909,1025 6.921,1026 23.367,1027 3.681,1028 14.296,1029 18.991,1031 29.311,1032 13.564,1033 1.595,1034 5.823,1035 25.256,1036 3.402,1037 15.438,1038 20.536,1040 31.732,1041 14.63,1042 1.435,1043 4.179,1044 27.15,1045 2.803,1046 16.614,1047 22.115,1049 34.171,1050 15.747,1051 1.321,1052 3.088,1053 29.049,1054 2.345,1055 17.776,1056 23.677,1058 36.602,1059 16.838,1060 3687,1061 6019,1062 16.296,1063 23.71,1064 34.666,1065 34.502,1066 34.767,1067 34.486,1068 34.463,1069 50.134,1070 0.8,1071 98.62,1072 32.628,1073 5.501,1074 5.281,1075 6.662,1076 5.321,1077 5.259,1078 7.842,1079 0.8,1080 18.835,1081 5.059,1083 1.507,1084 1.5,1085 1.512,1086 1.499,1087 1.498,1088 2.18,1089 0.035,1090 4.288,1091 1.419,1092 4.16,1093 4.172,1094 4.397,1095 4.166,1096 5.096,1097 4.121,1098 3.887,1099 3.922,1100 3.824,1101 3.819,1102 4.77,1103 3.814,1104 3.63,1105 3.679,1106 3.574,1107 3.514,1108 4.662,1109 3.518,1110 3.081,1111 3.148,1112 3.341,1113 3.018,1114 4.087,1115 2.958,1116 3.044,1117 3.085,1118 2.988,1119 2.895,1120 3.969,1121 2.897,1122 2.871,1123 2.931,1124 2.77,1125 2.745,1126 3.717,1127 2.741,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.674,1133 2.715,1134 2.604,1135 2.668,1136 2.509,1137 2.479,1138 3.537,1139 2.474,1140 0.206,1141 0.143,1142 0.298,1143 0.183,1144 0.142,1145 4.744,1146 0.211,1147 3.281,1148 0.017,1149 6.86,1150 0.499,1151 4.198,1152 0.133,1153 3.259,1154 4.842,1155 0.4,1156 11.466,1157 3.059,1158 1.946,1159 1.924,1160 2.029,1161 2.044,1162 1.152,1163 2.037,1164 1.893,1165 1.865,1166 2.002,1167 1.973,1168 1.072,1169 1.989,1170 1.726,1171 1.708,1172 1.727,1173 1.826,1174 0.89,1175 1.833,1176 1.036,1177 1.002,1178 1.213,1179 1.252,1180 0.291,1181 1.245,1182 0.989,1183 0.945,1184 1.181,1185 1.095,1186 0.256,1187 1.143,1188 0.886,1189 0.821,1190 1.144,1191 1.062,1192 0.218,1193 1.107,1194 0.873,1195 0.815,1196 1.03,1197 1.002,1198 0.154,1199 1.043,1200 0.677,1201 0.62,1202 0.888,1203 0.829,1205 0.875,1206 3.85,1208 5.165,1209 2.398,1210 6.696,1211 4.844,1212 8.323,1213 7.066,1214 10,1223 3.367,1231 22.359,1232 46.771,1233 87.831,1234 111.441,1235 135.97,1236 145.58,1237 145.58,1238 17.996,1239 7.202,1240 37.81,1241 66.05,1242 23,1243 12.402,1244 4.459,1245 3.524,1246 26.111,1247 57,1248 56,1249 0.231,1250 139.842,1251 220.07,1252 332.973,1253 12411,1255 13.364,1256 0.668,1257 0.57,1258 13.717,1259 11.393,1260 9.916,1261 0.431,1262 0.312,1263 6.383,1264 9.285,1265 6.18,1266 5.126,1267 10.324,1268 7.176,1269 8.703,1270 0.272,1271 0.173,1272 9.318,1273 5.541,1274 7.721,1275 0.172,1276 0.097,1277 8.58,1278 4.361,1279 6.878,1280 0.109,1281 0.054,1282 7.855,1283 3.372,1284 5.861,1285 0.071,1286 0.029,1287 6.81,1288 2.385,1289 0.35,1290 64.894,1291 0.248,1292 19.617,1293 0.673,1294 110,1295 280.483,1296 141.229,1297 304.247,1298 434.26,1299 288,1300 132,1301 318.926,1302 163.884,1303 343.286,1304 507.16,1305 325,1306 5} {0 CHEMBL2153412,1 1.634,2 9.364,3 4.614,4 21.291,5 89.257,6 8.783,7 0.84,8 3.693,9 3.785,10 3.469,11 3.359,12 4.851,13 3.322,14 4.161,15 4.288,16 3.853,17 3.745,18 5.279,19 3.684,20 4.301,21 4.45,22 3.926,23 3.803,24 5.368,25 3.727,26 4.303,27 4.481,28 3.711,29 3.741,30 5.318,31 3.626,32 4.23,33 4.445,34 3.534,35 3.608,36 5.214,37 3.489,38 4.107,39 4.306,40 3.463,41 3.499,42 5.129,43 3.396,44 3.979,45 4.187,46 3.207,47 3.345,48 4.965,49 3.23,50 3.799,51 4.001,52 3.106,53 3.153,54 4.777,55 3.068,56 0.019,57 0.494,58 5.518,59 2.969,60 5.257,61 3.309,62 0.151,63 0.815,64 11.121,65 5.169,66 14.192,67 5.535,68 0.141,69 0.97,70 15.641,71 6.12,72 12.787,73 6.726,74 0.153,75 0.965,76 17.101,77 6.815,78 15.161,79 7.471,80 0.164,81 0.886,82 16.368,83 6.342,84 17.136,85 7.654,86 0.134,87 0.798,88 14.112,89 5.32,90 15.429,91 5.915,92 0.176,93 0.687,94 12.631,95 4.669,96 15.039,97 5.351,98 0.081,99 0.518,100 9.561,101 4.008,102 9.401,103 4.961,104 3,105 35,106 0.292,107 0.603,108 0.739,109 0.841,110 0.851,111 0.851,112 3.147,113 0.924,114 -4.65,115 -4.57,116 -4.3,119 48.6,123 1,133 8,134 1,135 2,137 1,138 1,139 1,143 2,159 6,161 1,162 3,164 1,166 2,168 8,172 5,176 3,178 6,182 5,185 1,187 1,190 1,194 5,197 1,199 2,202 2,206 4,211 2,213 4,216 1,217 2,224 6,229 1,237 8,241 1,242 1,250 4,255 618,256 15.455,257 15.455,258 15.455,259 15.455,260 15.455,261 13.05,262 13.8,263 9.131,264 15.972,265 12.313,266 12.313,267 12.313,268 12.313,269 12.313,270 8.686,271 22.151,272 4.274,273 13.105,274 3.496,275 1.751,276 0.993,277 0.422,278 0.364,279 0.364,280 3.853,284 1,285 461,286 2.345,288 31.051,289 148.546,291 126.796,295 1.397,296 11.32,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 46.5,307 206,308 4.744,309 3.282,310 6.86,311 4.199,312 3.26,313 4.842,314 0.86,315 11.466,316 3.059,317 4.091,318 2.896,319 6.013,320 3.666,321 2.708,322 3.714,323 0.4,324 8.565,325 2.593,326 3.933,327 2.697,328 5.482,329 3.45,330 2.5,331 3.566,333 7.271,334 2.367,335 3.494,336 2.314,337 5.213,338 3.08,339 2.139,340 2.861,342 6.362,343 2.003,344 3.335,345 1.909,346 5.032,347 2.802,348 1.873,349 2.683,351 5.744,352 1.735,353 3.054,354 1.587,355 4.438,356 2.49,357 1.569,358 2.321,360 4.122,361 1.428,362 2.822,363 1.327,364 3.812,365 2.253,366 1.324,367 1.983,369 3.059,370 1.219,371 2.657,372 1.242,373 3.601,374 2.152,375 1.188,376 1.73,378 2.84,379 1.138,380 2.5,381 1.096,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 1.997,389 1,390 3.208,391 1.524,392 0.639,393 0.809,394 1.428,395 0.558,396 1.725,397 0.588,398 2.925,399 1.343,400 0.471,401 0.592,402 0.868,403 0.404,404 1.271,405 0.168,406 2.594,407 0.88,408 -0.028,409 -0.036,411 -0.062,412 -0.025,413 0.876,414 -0.288,415 2.412,416 0.421,417 -0.502,418 -0.66,420 -1.078,421 -0.457,422 0.799,423 -0.701,424 2.211,425 0.242,426 -0.701,427 -1.051,429 -1.78,430 -0.641,431 0.59,432 -0.743,433 2,434 0.082,435 -0.869,436 -1.221,438 -2.177,439 -0.818,440 10.867,441 0.494,442 0.41,443 0.019,444 33.5,445 1.523,446 19,447 0.864,448 14.5,449 0.659,450 13.853,451 0.63,452 21.533,453 0.615,454 20.675,455 0.94,456 6.565,457 0.298,458 4.283,459 0.195,460 0.046,462 0.322,466 0.897,467 1.071,468 0.677,469 0.823,470 0.848,471 0.772,472 1.186,473 0.831,474 0.826,475 0.75,476 1.017,477 0.755,478 1.047,479 1.243,480 0.993,481 1.093,482 0.935,483 0.949,484 1.004,485 1.152,486 1.249,487 1.166,488 1.004,489 1.101,490 0.643,491 1.02,492 0.995,493 0.975,494 0.804,495 0.969,496 1.119,497 1.076,498 1.141,499 1.007,500 1.13,501 0.985,502 1.001,503 0.82,504 1.184,505 0.979,506 1.074,507 1.027,508 0.802,509 0.923,510 0.663,511 0.955,512 0.844,513 0.977,514 3.5,515 0.07,516 2.222,517 1.451,518 1.093,519 0.393,520 0.372,521 0.242,522 0.084,523 0.111,524 5221,525 14211,526 2.205,527 37.1,529 11,531 1,532 1,536 1.644,537 2.129,538 3.202,539 -0.31,545 57.177,546 1.634,547 3.378,548 4.136,549 4.708,550 4.765,551 4.765,552 2.681,553 4.152,554 4.429,555 3.315,556 765.858,557 7.604,558 8205.19,560 1,563 179.525,564 1.143,565 4.418,566 0.14,567 0.01,568 0.063,569 0.041,570 0.038,571 0.016,572 0.016,573 0.013,574 0.005,575 0.009,576 0.352,577 0.33,578 1,579 0.608,580 100.438,581 -0.052,582 -0.083,583 0.063,584 0.017,585 -0.078,586 0.027,587 -0.053,588 0.181,589 0.071,590 0.175,591 -0.049,592 0.095,593 -0.047,594 -0.217,595 0.052,596 -0.087,597 -0.029,598 -0.046,599 -0.095,600 -0.129,601 -0.17,602 -0.137,603 -0.105,604 -0.152,605 0.087,606 -0.021,607 0.008,608 0.01,609 0.118,610 0.035,611 -0.182,612 -0.027,613 -0.117,614 -0.025,615 -0.126,616 -0.035,617 -0.061,618 0.206,619 -0.2,620 -0.014,621 -0.098,622 -0.059,623 0.121,624 -0.051,625 0.152,626 -0.061,627 0.124,628 0.03,629 0.837,630 1.678,631 0.864,632 16.471,633 1.004,634 1.106,635 3.422,636 11.708,637 0.741,638 3.258,639 3.584,640 3.912,641 4.22,642 4.489,643 4.564,644 4.718,645 4.883,646 4.868,647 4.934,648 5.404,649 0.703,650 307.4,651 3.258,652 4.796,653 5.666,654 6.555,655 7.446,656 8.345,657 9.244,658 10.147,659 11.051,660 11.958,661 8.6,669 1,671 2,674 4,675 9,676 2,679 1,680 3,682 21,692 1,697 1,699 35,700 21,701 2,702 25,704 38,705 17,706 16,707 4,708 8,710 4,711 7,721 16,722 1,733 1,736 13,737 4,738 1,739 5,740 1,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,785 22,790 1,791 1,797 1,801 2.9,806 1,808 10.333,809 6.733,810 4.861,811 1.956,812 4.301,813 1.58,814 1.055,815 3.391,816 11.712,817 3.597,818 4.287,819 4.992,820 5.69,821 6.327,822 6.715,823 7.221,824 7.738,825 7.992,826 8.38,827 1,828 35,829 8.062,831 3.414,832 7.568,833 15.553,835 12.813,837 2.068,838 45.5,842 141.253,843 143.126,844 51.582,846 11,848 31.278,849 111.848,850 152.253,851 51.582,852 10.883,854 75.81,855 45.342,856 50.347,857 3.82,858 160.76,860 141.253,861 163.43,862 11,863 31.278,865 141.253,866 11,869 28.773,870 101.086,871 33.571,872 31.278,873 141.253,874 62.582,875 143.126,878 141.253,879 47.814,880 95.312,881 18.011,882 44.571,883 141.253,884 62.582,885 143.126,887 0.575,888 0.349,889 0.196,890 0.111,891 19,892 7,893 0.079,894 3,895 2,896 1.211,897 3.517,898 180.517,899 0.211,900 19,901 94.107,902 1,904 13.467,905 5.54,906 2.432,907 4.449,908 62.582,909 17.677,910 8.835,913 1.703,914 2.634,916 18.011,917 346.961,918 35.5,926 35.127,927 38.7,928 0.318,929 0.659,930 0.806,931 0.918,932 0.929,933 0.929,934 4.806,935 1.188,936 5.638,937 3.059,938 4.263,939 4.973,940 1.029,941 6.466,942 4.142,943 6.035,944 1,945 7.198,946 2.84,947 3.761,948 4.808,950 7.391,951 3.58,952 7.358,953 0.639,954 8.861,955 2.275,956 5.861,957 7.324,958 0.763,959 10.529,960 5.631,961 8.724,962 0.471,963 10.586,964 1.428,965 6.236,966 8.065,968 12.343,969 5.928,970 10.127,971 -0.028,972 12.354,973 0.868,974 7.765,975 10.008,976 0.597,977 14.998,978 7.423,979 11.556,980 -0.502,981 14.152,982 -0.062,983 8.561,984 11.193,986 17.181,987 8.133,988 13.008,989 -0.701,990 15.973,991 -1.078,992 9.859,993 12.903,994 0.47,995 19.685,996 9.394,997 3.26,998 -0.869,999 17.811,1000 -1.78,1001 10.857,1002 14.303,1004 22.019,1005 10.307,1006 2.708,1007 11.466,1008 19.664,1009 -2.177,1010 12.066,1011 15.922,1012 0.367,1013 24.476,1014 11.47,1015 2.5,1016 8.565,1017 21.528,1018 4.842,1019 13.158,1020 17.42,1022 26.871,1023 12.483,1024 2.139,1025 7.271,1026 23.403,1027 3.714,1028 14.337,1029 19.007,1030 0.283,1031 29.314,1032 13.608,1033 1.873,1034 6.362,1035 25.285,1036 3.566,1037 15.473,1038 20.548,1040 31.734,1041 14.67,1042 1.569,1043 5.744,1044 27.174,1045 2.861,1046 16.644,1047 22.125,1048 0.217,1049 34.172,1050 15.781,1051 1.324,1052 4.122,1053 29.069,1054 2.683,1055 17.801,1056 23.685,1058 36.603,1059 16.868,1060 4901,1061 8209,1062 17.394,1063 25.926,1064 37.465,1065 37.794,1066 38.397,1067 37.326,1068 37.339,1069 53.201,1070 2.52,1071 107.998,1072 35.012,1073 5.51,1074 5.282,1075 6.541,1076 5.322,1077 5.26,1078 7.842,1079 1.72,1080 18.835,1081 5.059,1082 6.2,1083 1.499,1084 1.512,1085 1.536,1086 1.493,1087 1.494,1088 2.128,1089 0.101,1090 4.32,1091 1.4,1092 4.16,1093 4.172,1094 4.397,1095 4.167,1096 5.097,1097 4.121,1098 3.901,1099 3.927,1100 3.85,1101 3.821,1102 4.866,1103 3.822,1104 3.634,1105 3.681,1106 3.58,1107 3.515,1108 4.675,1109 3.52,1110 3.269,1111 3.331,1112 3.343,1113 3.026,1114 4.408,1115 3.022,1116 3.059,1117 3.099,1118 3.129,1119 2.987,1120 4.011,1121 2.945,1122 2.995,1123 3.068,1124 2.885,1125 2.833,1126 3.961,1127 2.829,1128 2.854,1129 2.925,1130 2.712,1131 2.735,1132 3.675,1133 2.715,1134 2.85,1135 2.919,1136 2.687,1137 2.682,1138 3.674,1139 2.678,1140 0.19,1141 0.131,1142 0.274,1143 0.168,1144 0.13,1145 4.744,1146 0.194,1147 3.282,1148 0.034,1149 6.86,1150 0.459,1151 4.199,1152 0.122,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.059,1158 1.946,1159 1.924,1160 2.024,1161 2.045,1162 1.152,1163 2.036,1164 1.889,1165 1.866,1166 1.985,1167 1.978,1168 1.073,1169 1.987,1170 1.725,1171 1.709,1172 1.726,1173 1.831,1174 0.89,1175 1.834,1176 1.204,1177 1.134,1178 1.567,1179 1.517,1180 0.574,1181 1.532,1182 1.018,1183 0.997,1184 1.181,1185 1.2,1186 0.287,1187 1.198,1188 0.963,1189 0.904,1190 1.169,1191 1.095,1192 0.227,1193 1.142,1194 0.886,1195 0.821,1196 1.122,1197 1.062,1198 0.218,1199 1.107,1200 0.826,1201 0.757,1202 1.017,1203 0.987,1204 0.108,1205 1.022,1206 3.932,1208 5.252,1209 2.398,1210 6.786,1211 4.844,1212 8.412,1213 7.066,1214 10.087,1216 1.66,1223 3.363,1224 5.178,1231 24.6,1232 57.177,1233 118.241,1234 144.77,1235 164.77,1236 166.77,1237 166.77,1238 21.543,1239 7.412,1240 47.04,1241 75.28,1242 23,1243 12.476,1244 4.459,1245 3.524,1246 29.957,1247 70,1248 84,1249 0.211,1250 153.43,1251 246.16,1252 366.13,1253 16277,1255 14.941,1256 0.679,1257 0.578,1258 15.295,1259 12.724,1260 10.848,1261 0.434,1262 0.308,1263 6.864,1264 10.06,1265 6.615,1266 5.501,1267 11.256,1268 7.699,1269 9.493,1270 0.271,1271 0.169,1272 10.109,1273 5.904,1274 8.54,1275 0.174,1276 0.095,1277 9.399,1278 4.678,1279 7.331,1280 0.109,1281 0.053,1282 8.307,1283 3.525,1284 6.25,1285 0.071,1286 0.028,1287 7.199,1288 2.487,1289 0.326,1290 71.6,1291 0.24,1292 21.547,1293 0.592,1294 120,1295 336.219,1296 154.108,1297 350.548,1298 494.61,1299 332,1300 144,1301 359.471,1302 178.541,1303 383.824,1304 564.66,1305 361,1306 5} {0 CHEMBL2153515,1 1.685,2 9.458,3 4.598,4 21.14,5 95.721,6 8.652,7 0.778,8 3.8,9 3.89,10 3.554,11 3.415,12 4.966,13 3.39,14 4.281,15 4.413,16 3.932,17 3.794,18 5.391,19 3.749,20 4.385,21 4.514,22 4.047,23 3.875,24 5.5,25 3.822,26 4.448,27 4.605,28 3.889,29 3.86,30 5.513,31 3.773,32 4.467,33 4.661,34 3.693,35 3.769,36 5.474,37 3.668,38 4.368,39 4.579,40 3.607,41 3.677,42 5.368,43 3.565,44 4.29,45 4.539,46 3.498,47 3.514,48 5.215,49 3.411,50 4.015,51 4.188,52 3.453,53 3.371,54 5.08,55 3.312,56 0.039,57 0.558,58 6.47,59 3.499,60 6.14,61 3.816,62 0.253,63 0.903,64 13.91,65 6.042,66 18.922,67 6.263,68 0.268,69 1.042,70 16.639,71 6.552,72 15.597,73 7.175,74 0.246,75 1.083,76 18.88,77 7.698,78 18.255,79 8.386,80 0.357,81 1.063,82 20.309,83 7.632,84 27.255,85 8.513,86 0.249,87 1.009,88 18.353,89 6.846,90 22.36,91 8.115,92 0.284,93 0.887,94 19.493,95 6.681,96 22.548,97 8.274,98 0.189,99 0.649,100 11.7,101 4.729,102 14.511,103 5.42,104 9,105 38,106 0.295,107 0.615,108 0.731,109 0.828,110 0.846,111 0.855,112 3.229,113 0.914,114 -4.37,115 -4.3,116 -4.06,119 46.2,123 2,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 5,161 1,162 3,164 1,166 2,168 7,171 1,172 6,176 2,178 5,182 6,185 2,187 1,190 1,194 4,197 1,199 2,202 2,205 1,206 4,211 2,213 3,216 1,217 2,224 5,228 1,229 2,237 6,241 1,242 3,250 2,255 764,256 16.826,257 16.826,258 16.826,259 16.826,260 16.826,261 14.419,262 16.719,263 9.84,264 17.508,265 13.229,266 13.229,267 13.229,268 13.229,269 13.229,270 9.503,271 27.145,272 4.487,273 14.189,274 3.6,275 1.773,276 1.107,277 0.552,278 0.449,279 0.398,280 3.932,284 1,285 501,286 2.646,288 35.276,289 168.263,291 143.492,295 1.375,296 15.181,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 51.5,307 227,308 4.744,309 3.288,310 6.86,311 4.199,312 3.26,313 4.842,314 0.86,315 11.466,316 3.059,317 4.271,318 3.194,319 6.171,320 3.853,321 2.904,322 3.919,323 0.86,324 9.156,325 2.75,326 3.994,327 2.729,328 6.002,329 3.528,330 2.584,331 3.641,332 0.4,333 8.497,334 2.43,335 3.548,336 2.316,337 5.319,338 3.13,339 2.179,340 2.914,342 6.669,343 2.062,344 3.345,345 2.168,346 5.076,347 2.804,348 1.874,349 2.724,351 5.777,352 1.738,353 3.054,354 1.902,355 4.453,356 2.521,357 1.61,358 2.321,360 4.192,361 1.461,362 2.919,363 1.584,364 4.352,365 2.49,366 1.568,367 2.057,369 4.054,370 1.428,371 2.822,372 1.326,373 3.812,374 2.253,375 1.324,376 1.983,378 3.059,379 1.219,380 2.657,381 1.231,382 3.601,383 2.151,384 1.187,385 1.729,386 2.84,387 1.138,388 2.014,389 1.079,390 3.225,391 1.63,392 0.732,393 0.883,394 1.5,395 0.65,396 1.895,397 0.935,398 3.045,399 1.408,400 0.522,401 0.716,402 1.164,403 0.454,404 1.487,405 0.588,406 2.846,407 1.203,408 0.353,409 0.389,411 0.495,412 0.297,413 1.269,414 0.192,415 2.505,416 0.88,417 -0.028,418 -0.036,420 -0.063,421 -0.025,422 0.879,423 -0.135,424 2.413,425 0.438,426 -0.476,427 -0.602,429 -0.955,430 -0.427,431 0.799,432 -0.516,433 2.295,434 0.243,435 -0.701,436 -0.986,438 -1.779,439 -0.64,440 11.7,441 0.488,442 0.462,443 0.019,444 35.5,445 1.479,446 19.5,447 0.813,448 16,449 0.667,450 16.406,451 0.684,452 24.3,453 0.623,454 23.527,455 0.98,456 7.064,457 0.294,458 4.732,459 0.197,460 0.085,462 0.342,466 0.904,467 1.148,468 0.684,469 0.901,470 0.847,471 0.823,472 1.334,473 0.767,474 0.816,475 0.671,476 1.141,477 0.663,478 0.898,479 1.256,480 0.954,481 1.092,482 0.832,483 0.931,484 0.981,485 1.195,486 1.193,487 1.191,488 0.915,489 1.117,490 1.274,491 1.019,492 1.125,493 0.949,494 1.276,495 1.031,496 0.838,497 1.084,498 1.091,499 1.034,500 0.973,501 1.074,502 0.767,503 0.719,504 0.781,505 0.775,506 0.793,507 0.755,508 1.019,509 0.897,510 0.775,511 0.936,512 1.027,513 0.926,514 4,515 0.09,516 2.667,517 1.889,518 1.324,519 0.511,520 0.453,521 0.265,522 0.198,523 0.182,524 6375,525 17993,526 2.161,527 38.5,529 13,531 1,532 1,536 1.67,537 2.057,538 3.245,539 -0.301,545 65.714,546 1.685,547 3.512,548 4.179,549 4.734,550 4.836,551 4.888,552 2.669,553 4.418,554 4.558,555 3.36,556 927.455,557 7.869,558 10654.8,560 1,563 206.131,564 1.281,565 4.532,566 0.148,567 0.008,568 0.07,569 0.047,570 0.038,571 0.018,572 0.017,573 0.012,574 0.009,575 0.011,576 0.378,577 0.17,578 1,579 0.789,580 112.983,581 -0.056,582 -0.125,583 0.068,584 -0.017,585 -0.068,586 0.01,587 -0.143,588 0.26,589 0.109,590 0.287,591 -0.106,592 0.215,593 0.097,594 -0.204,595 0.067,596 -0.078,597 0.068,598 -0.039,599 -0.026,600 -0.169,601 -0.164,602 -0.176,603 -0.006,604 -0.189,605 -0.181,606 -0.032,607 -0.162,608 0.005,609 -0.205,610 -0.075,611 -0.041,612 -0.049,613 -0.113,614 -0.079,615 -0.072,616 -0.104,617 0.105,618 0.254,619 0.236,620 0.199,621 0.181,622 0.292,623 0.079,624 0.053,625 0.11,626 -0.013,627 0.043,628 0.02,629 0.996,630 1.855,631 0.792,632 18.125,633 1.009,634 1.111,635 3.14,636 9.858,637 0.722,638 3.332,639 3.664,640 4.007,641 4.317,642 4.564,643 4.644,644 4.804,645 4.97,646 4.984,647 5.081,648 5.642,649 0.688,650 337.43,651 3.332,652 4.875,653 5.753,654 6.648,655 7.543,656 8.445,657 9.347,658 10.253,659 11.158,660 12.066,661 7.7,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 2,699 39,700 21,701 2,702 27,704 42,705 18,706 16,707 5,708 7,710 4,711 7,721 16,722 2,733 1,736 15,737 5,738 1,739 6,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 24,790 1,791 2,797 1,801 5.1,806 2,808 11.667,809 7.817,810 5.389,811 2.115,812 4.34,813 1.572,814 1.029,815 4.044,816 11.929,817 3.651,818 4.341,819 5.051,820 5.744,821 6.367,822 6.761,823 7.261,824 7.773,825 8.043,826 8.452,827 1,828 40,829 8.793,831 3.694,832 7.611,833 16.863,835 13.705,837 2.111,838 50.667,842 164.795,843 149.776,844 51.582,846 22,848 31.278,849 118.499,850 186.795,851 51.582,852 21.766,854 66.334,855 45.342,856 66.59,857 3.82,858 184.302,860 164.795,861 170.08,862 22,863 31.278,865 164.795,866 22,869 28.773,870 107.736,871 33.571,872 31.278,873 164.795,874 73.582,875 149.776,878 164.795,879 53.058,880 96.718,881 18.011,882 55.571,883 164.795,884 73.582,885 149.776,887 0.573,888 0.359,889 0.208,890 0.112,891 20,892 8,893 0.095,894 4,895 2,896 1.211,897 3.624,898 204.242,899 0.211,900 19,901 110.039,902 1,904 15.303,905 6.342,906 2.736,907 4.348,908 73.582,909 15.519,910 8.859,913 1.682,914 3.028,916 18.011,917 388.153,918 37.5,926 39.338,927 43.325,928 0.319,929 0.664,930 0.791,931 0.896,932 0.915,933 0.925,934 4.869,935 1.324,936 5.733,937 4.054,938 4.344,939 5.027,940 1.454,941 6.581,942 4.211,943 6.102,944 1.187,945 7.309,946 3.059,947 3.892,948 4.913,950 7.545,951 3.705,952 7.433,953 0.732,954 8.986,955 2.84,956 5.964,957 7.385,958 1.175,959 10.678,960 5.718,961 8.807,962 0.522,963 10.725,964 1.5,965 6.382,966 8.158,968 12.496,969 6.064,970 10.216,971 0.353,972 12.503,973 1.164,974 7.889,975 10.073,976 0.966,977 15.142,978 7.531,979 11.652,980 -0.028,981 14.308,982 0.495,983 8.712,984 11.271,986 17.31,987 8.273,988 13.108,989 -0.476,990 16.134,991 -0.063,992 9.997,993 12.965,994 0.788,995 19.801,996 9.517,997 3.26,998 -0.701,999 17.974,1000 -0.955,1001 11.006,1002 14.366,1004 22.117,1005 10.447,1006 2.904,1007 11.466,1008 19.826,1009 -1.779,1010 12.206,1011 15.975,1012 0.634,1013 24.56,1014 11.599,1015 2.584,1016 9.156,1017 21.688,1018 4.842,1019 13.299,1020 17.469,1022 26.94,1023 12.617,1024 2.179,1025 8.497,1026 23.558,1027 3.919,1028 14.47,1029 19.048,1030 0.504,1031 29.371,1032 13.734,1033 1.874,1034 6.669,1035 25.435,1036 3.641,1037 15.601,1038 20.584,1040 31.781,1041 14.794,1042 1.61,1043 5.777,1044 27.317,1045 2.914,1046 16.764,1047 22.155,1048 0.395,1049 34.211,1050 15.899,1051 1.568,1052 4.192,1053 29.204,1054 2.724,1055 17.914,1056 23.711,1058 36.634,1059 16.981,1060 6048,1061 10288,1062 18.493,1063 28.142,1064 40.168,1065 40.981,1066 41.97,1067 40.118,1068 40.191,1069 56.238,1070 4.24,1071 117.741,1072 37.374,1073 5.516,1074 5.288,1075 6.541,1076 5.324,1077 5.26,1078 7.842,1079 1.72,1080 18.836,1081 5.059,1082 9.012,1083 1.488,1084 1.518,1085 1.554,1086 1.486,1087 1.489,1088 2.083,1089 0.157,1090 4.361,1091 1.384,1092 4.161,1093 4.172,1094 4.397,1095 4.167,1096 5.099,1097 4.122,1098 3.915,1099 3.932,1100 3.876,1101 3.823,1102 4.925,1103 3.83,1104 3.637,1105 3.683,1106 3.583,1107 3.515,1108 4.676,1109 3.521,1110 3.276,1111 3.337,1112 3.343,1113 3.032,1114 4.496,1115 3.038,1116 3.247,1117 3.314,1118 3.146,1119 2.997,1120 4.367,1121 2.96,1122 3.058,1123 3.095,1124 3.051,1125 2.95,1126 3.993,1127 2.945,1128 2.985,1129 3.058,1130 2.878,1131 2.831,1132 3.954,1133 2.826,1134 2.851,1135 2.919,1136 2.709,1137 2.693,1138 3.675,1139 2.685,1140 0.176,1141 0.122,1142 0.254,1143 0.156,1144 0.121,1145 4.744,1146 0.179,1147 3.288,1148 0.032,1149 6.86,1150 0.425,1151 4.199,1152 0.113,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.059,1158 1.946,1159 1.924,1160 2.022,1161 2.047,1162 1.152,1163 2.035,1164 1.884,1165 1.867,1166 1.966,1167 1.982,1168 1.075,1169 1.985,1170 1.724,1171 1.71,1172 1.725,1173 1.835,1174 0.89,1175 1.835,1176 1.21,1177 1.144,1178 1.576,1179 1.524,1180 0.575,1181 1.54,1182 1.191,1183 1.115,1184 1.561,1185 1.51,1186 0.573,1187 1.526,1188 1.017,1189 0.997,1190 1.17,1191 1.186,1192 0.286,1193 1.188,1194 0.959,1195 0.9,1196 1.134,1197 1.095,1198 0.226,1199 1.142,1200 0.842,1201 0.775,1202 1.062,1203 1.001,1204 0.164,1205 1.042,1206 4.007,1208 5.333,1209 2.398,1210 6.874,1211 4.844,1212 8.512,1213 7.066,1214 10.198,1216 3.243,1223 3.358,1224 10.63,1231 26.842,1232 65.714,1233 136.969,1234 162.969,1235 184.621,1236 188.621,1237 190.621,1238 26.188,1239 7.589,1240 56.27,1241 84.51,1242 23,1243 12.583,1244 4.459,1245 3.524,1246 33.858,1247 81,1248 82,1249 0.207,1250 167.019,1251 272.25,1252 399.286,1253 20191,1255 16.518,1256 0.688,1257 0.586,1258 16.872,1259 14.054,1260 11.796,1261 0.437,1262 0.305,1263 7.351,1264 10.86,1265 7.059,1266 5.887,1267 12.205,1268 8.228,1269 10.214,1270 0.269,1271 0.164,1272 10.83,1273 6.245,1274 9.294,1275 0.172,1276 0.092,1277 10.153,1278 4.971,1279 8.131,1280 0.11,1281 0.051,1282 9.107,1283 3.764,1284 6.775,1285 0.071,1286 0.028,1287 7.724,1288 2.631,1289 0.32,1290 78.408,1291 0.233,1292 23.148,1293 0.581,1294 130,1295 391.955,1296 166.986,1297 396.834,1298 555.62,1299 376,1300 157,1301 401.017,1302 194.974,1303 425.475,1304 626.33,1305 398,1306 5.432} {0 CHEMBL2153516,1 1.685,2 8.833,3 4.598,4 21.14,5 95.721,6 8.652,7 0.778,8 3.8,9 3.89,10 3.554,11 3.415,12 4.966,13 3.39,14 4.281,15 4.413,16 3.932,17 3.794,18 5.4,19 3.749,20 4.383,21 4.514,22 4.02,23 3.875,24 5.466,25 3.817,26 4.442,27 4.605,28 3.898,29 3.857,30 5.515,31 3.762,32 4.449,33 4.652,34 3.74,35 3.753,36 5.448,37 3.669,38 4.368,39 4.54,40 3.679,41 3.685,42 5.455,43 3.607,44 4.331,45 4.559,46 3.63,47 3.591,48 5.278,49 3.497,50 4.179,51 4.381,52 3.486,53 3.487,54 5.21,55 3.394,56 0.039,57 0.558,58 6.47,59 3.499,60 6.051,61 3.816,62 0.253,63 0.903,64 13.91,65 6.042,66 19.778,67 6.263,68 0.205,69 1.042,70 16.638,71 6.546,72 13.358,73 7.016,74 0.327,75 1.082,76 18.899,77 7.762,78 20.083,79 8.934,80 0.259,81 1.059,82 20.23,83 7.532,84 21.975,85 8.637,86 0.385,87 0.996,88 17.221,89 6.212,90 27.844,91 6.431,92 0.227,93 0.913,94 18.931,95 6.938,96 19.576,97 8.43,98 0.284,99 0.771,100 15.501,101 5.87,102 21.923,103 6.825,104 9,105 38,106 0.295,107 0.615,108 0.722,109 0.802,110 0.81,111 0.81,112 3.229,113 0.914,114 -4.37,115 -4.3,116 -4.06,119 46.2,123 2,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 5,164 1,166 2,168 9,172 3,176 1,178 4,181 1,182 7,185 3,187 2,190 1,194 3,199 2,202 2,205 2,206 5,211 2,213 2,217 2,224 5,228 2,229 3,237 5,242 4,250 2,255 764,256 16.773,257 16.773,258 16.773,259 16.773,260 16.773,261 14.395,262 18.113,263 9.855,264 17.469,265 13.258,266 13.258,267 13.258,268 13.258,269 13.258,270 9.532,271 31.375,272 4.554,273 14.228,274 3.6,275 1.773,276 1.158,277 0.705,278 0.654,279 0.654,280 3.932,284 1,285 466,286 2.646,288 34.448,289 165.868,291 140.108,295 1.278,296 15.198,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 51.5,307 212,308 4.745,309 3.285,310 6.86,311 4.199,312 3.26,313 4.842,314 0.86,315 11.466,316 3.059,317 4.213,318 3.067,319 6.023,320 3.791,321 2.835,322 3.858,323 0.86,324 8.686,325 2.707,326 3.974,327 2.68,328 5.763,329 3.491,330 2.544,331 3.628,332 0.4,333 8.106,334 2.4,335 3.447,336 2.555,337 5.21,338 3.005,339 2.062,340 2.84,342 6.226,343 1.938,344 3.355,345 2.228,346 4.969,347 2.972,348 2.061,349 2.604,351 5.818,352 1.867,353 3.272,354 1.887,355 4.951,356 2.766,357 1.838,358 2.563,360 5.604,361 1.701,362 3.046,363 1.579,364 4.423,365 2.486,366 1.561,367 2.307,369 4.086,370 1.427,371 2.822,372 1.325,373 3.812,374 2.253,375 1.323,376 1.982,378 3.058,379 1.219,380 2.651,381 1.219,382 3.601,383 2.142,384 1.178,385 1.721,386 2.836,387 1.13,388 1.979,389 1.083,390 3.197,391 1.425,392 0.541,393 0.755,394 1.341,395 0.469,396 1.593,397 0.916,398 2.886,399 1.324,400 0.471,401 0.521,402 0.682,403 0.399,404 1.576,405 0.576,406 2.842,407 1.27,408 0.396,409 0.452,411 0.602,412 0.342,413 1.313,414 0.07,415 2.758,416 0.892,417 -0.032,418 -0.042,420 -0.088,421 -0.03,422 0.86,423 -0.339,424 2.414,425 0.378,426 -0.562,427 -0.77,429 -1.485,430 -0.521,431 0.799,432 -0.416,433 2.26,434 0.241,435 -0.694,436 -0.878,438 -1.599,439 -0.637,440 11.7,441 0.488,442 0.478,443 0.02,444 35.5,445 1.479,446 19.5,447 0.813,448 16,449 0.667,450 16.453,451 0.686,452 24.3,453 0.623,454 23.591,455 0.983,456 7.049,457 0.294,458 4.73,459 0.197,460 0.085,462 0.342,466 0.904,467 1.148,468 0.684,469 0.901,470 0.852,471 0.823,472 1.334,473 0.767,474 0.816,475 0.671,476 1.084,477 0.663,478 1.113,479 1.256,480 1.016,481 1.093,482 1.079,483 0.952,484 0.528,485 1.194,486 1.113,487 1.198,488 0.641,489 1.121,490 1.129,491 1.05,492 0.992,493 0.934,494 1.013,495 0.925,496 1.488,497 1.01,498 1.273,499 0.984,500 1.438,501 1.078,502 0.794,503 0.893,504 0.724,505 0.914,506 0.865,507 0.875,508 1.038,509 0.72,510 0.928,511 0.832,512 1.078,513 0.862,514 4.5,515 0.045,516 2,517 2.139,518 1.244,519 0.566,520 0.455,521 0.201,522 0.255,523 0.162,524 6255,525 17609,526 2.161,527 38.5,529 13,531 1,532 1,536 1.672,537 2.057,538 3.176,539 -0.301,545 65.714,546 1.685,547 3.512,548 4.127,549 4.58,550 4.631,551 4.631,552 2.519,553 4.168,554 4.56,555 3.301,556 910.95,557 7.881,558 10481.9,560 1,563 206.131,564 1.281,565 4.532,566 0.167,567 0.004,568 0.053,569 0.055,570 0.036,571 0.018,572 0.016,573 0.008,574 0.011,575 0.01,576 0.378,577 0.17,578 1,579 0.789,580 112.569,581 -0.056,582 -0.125,583 0.068,584 -0.017,585 -0.074,586 0.01,587 -0.143,588 0.26,589 0.109,590 0.287,591 -0.049,592 0.215,593 -0.124,594 -0.204,595 0.004,596 -0.078,597 -0.182,598 -0.061,599 0.305,600 -0.168,601 -0.08,602 -0.178,603 0.204,604 -0.174,605 -0.138,606 -0.054,607 -0.019,608 0.023,609 -0.002,610 0.045,611 -0.219,612 0.064,613 -0.315,614 -0.059,615 -0.3,616 -0.204,617 0.078,618 0.055,619 0.25,620 0.049,621 0.104,622 0.153,623 0.073,624 0.24,625 0.064,626 0.146,627 0.043,628 0.127,629 0.946,630 1.82,631 0.792,632 17.458,633 1.009,634 1.111,635 3.14,636 9.858,637 0.722,638 3.332,639 3.664,640 3.989,641 4.317,642 4.575,643 4.663,644 4.82,645 4.963,646 4.984,647 5.094,648 5.5,649 0.688,650 337.43,651 3.332,652 4.875,653 5.746,654 6.642,655 7.533,656 8.438,657 9.336,658 10.244,659 11.147,660 12.057,661 7.7,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 2,699 39,700 21,701 2,702 27,704 42,705 18,706 16,707 5,708 7,710 4,711 7,721 16,722 2,733 1,736 15,737 5,738 1,739 6,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 24,790 1,791 2,797 1,801 5.1,806 2,808 11.667,809 7.817,810 5.361,811 2.108,812 4.355,813 1.574,814 1.029,815 4.044,816 11.944,817 3.651,818 4.341,819 5.042,820 5.749,821 6.369,822 6.771,823 7.266,824 7.768,825 8.044,826 8.458,827 0.833,828 39,829 8.793,831 3.693,832 7.611,833 16.863,835 13.701,837 2.111,838 50.667,842 164.795,843 149.776,844 51.582,846 22,848 31.278,849 118.499,850 186.795,851 51.582,852 21.766,854 66.334,855 45.342,856 66.59,857 3.82,858 184.302,860 164.795,861 170.08,862 22,863 31.278,865 164.795,866 22,869 28.773,870 107.736,871 33.571,872 31.278,873 164.795,874 73.582,875 149.776,878 164.795,879 53.058,880 96.718,881 18.011,882 55.571,883 164.795,884 73.582,885 149.776,887 0.573,888 0.35,889 0.203,890 0.116,891 20,892 8,893 0.095,894 4,895 2,896 1.211,897 3.615,898 204.813,899 0.211,900 19,901 102.039,902 1,904 15.303,905 6.342,906 2.845,907 4.328,908 73.582,909 15.469,910 8.864,913 1.677,914 3.067,916 18.011,917 388.153,918 37.5,926 39.338,927 43.325,928 0.319,929 0.664,930 0.781,931 0.867,932 0.876,933 0.876,934 4.869,935 1.323,936 5.727,937 4.086,938 4.344,939 5.027,940 1.454,941 6.564,942 4.211,943 6.102,944 1.178,945 7.292,946 3.058,947 3.892,948 4.913,950 7.486,951 3.705,952 7.43,953 0.541,954 8.957,955 2.836,956 5.953,957 7.379,958 1.175,959 10.625,960 5.71,961 8.8,962 0.471,963 10.682,964 1.341,965 6.347,966 8.139,968 12.411,969 6.034,970 10.204,971 0.396,972 12.446,973 0.682,974 7.857,975 10.058,976 0.966,977 15.069,978 7.505,979 11.634,980 -0.032,981 14.239,982 0.602,983 8.66,984 11.249,986 17.23,987 8.231,988 13.085,989 -0.562,990 16.053,991 -0.088,992 9.949,993 12.947,994 0.788,995 19.731,996 9.479,997 3.26,998 -0.694,999 17.885,1000 -1.485,1001 10.948,1002 14.346,1004 22.052,1005 10.4,1006 2.835,1007 11.466,1008 19.732,1009 -1.599,1010 12.15,1011 15.958,1012 0.634,1013 24.504,1014 11.556,1015 2.544,1016 8.686,1017 21.59,1018 4.842,1019 13.24,1020 17.452,1022 26.892,1023 12.571,1024 2.062,1025 8.106,1026 23.458,1027 3.858,1028 14.413,1029 19.034,1030 0.504,1031 29.331,1032 13.69,1033 2.061,1034 6.226,1035 25.334,1036 3.628,1037 15.545,1038 20.572,1040 31.746,1041 14.751,1042 1.838,1043 5.818,1044 27.218,1045 2.84,1046 16.711,1047 22.145,1048 0.395,1049 34.182,1050 15.858,1051 1.561,1052 5.604,1053 29.108,1054 2.604,1055 17.863,1056 23.702,1058 36.611,1059 16.941,1060 5939,1061 10095,1062 18.493,1063 28.142,1064 40.01,1065 41.032,1066 41.519,1067 40.027,1068 40.14,1069 56.144,1070 4.24,1071 117.021,1072 37.316,1073 5.519,1074 5.285,1075 6.541,1076 5.324,1077 5.26,1078 7.842,1079 1.72,1080 18.837,1081 5.059,1082 8.966,1083 1.482,1084 1.52,1085 1.538,1086 1.482,1087 1.487,1088 2.079,1089 0.157,1090 4.334,1091 1.382,1092 4.161,1093 4.172,1094 4.397,1095 4.167,1096 5.099,1097 4.122,1098 3.914,1099 3.932,1100 3.875,1101 3.823,1102 4.916,1103 3.83,1104 3.636,1105 3.683,1106 3.582,1107 3.515,1108 4.675,1109 3.52,1110 3.303,1111 3.355,1112 3.343,1113 3.021,1114 4.58,1115 3.026,1116 3.222,1117 3.295,1118 3.144,1119 3.006,1120 4.293,1121 2.991,1122 3.058,1123 3.097,1124 3.083,1125 2.96,1126 3.982,1127 2.94,1128 2.991,1129 3.066,1130 2.858,1131 2.826,1132 3.941,1133 2.817,1134 2.857,1135 2.923,1136 2.714,1137 2.7,1138 3.677,1139 2.692,1140 0.176,1141 0.122,1142 0.254,1143 0.156,1144 0.121,1145 4.745,1146 0.179,1147 3.285,1148 0.032,1149 6.86,1150 0.425,1151 4.199,1152 0.113,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.059,1158 1.946,1159 1.924,1160 2.022,1161 2.047,1162 1.152,1163 2.035,1164 1.884,1165 1.867,1166 1.965,1167 1.982,1168 1.075,1169 1.985,1170 1.724,1171 1.71,1172 1.725,1173 1.834,1174 0.89,1175 1.835,1176 1.227,1177 1.163,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.17,1183 1.093,1184 1.541,1185 1.471,1186 0.561,1187 1.494,1188 1.018,1189 0.996,1190 1.177,1191 1.199,1192 0.287,1193 1.201,1194 0.965,1195 0.904,1196 1.134,1197 1.095,1198 0.235,1199 1.143,1200 0.846,1201 0.78,1202 1.026,1203 0.994,1204 0.136,1205 1.032,1206 4.007,1208 5.333,1209 2.398,1210 6.868,1211 4.844,1212 8.499,1213 7.066,1214 10.18,1216 3.265,1223 3.357,1224 10.641,1231 26.842,1232 65.714,1233 136.969,1234 160.969,1235 178.621,1236 180.621,1237 180.621,1238 25.863,1239 7.589,1240 56.27,1241 84.51,1242 23,1243 12.574,1244 4.459,1245 3.524,1246 33.77,1247 79,1248 72,1249 0.211,1250 167.019,1251 272.25,1252 399.286,1253 20191,1255 16.518,1256 0.688,1257 0.586,1258 16.872,1259 14.054,1260 11.78,1261 0.436,1262 0.305,1263 7.345,1264 10.834,1265 7.05,1266 5.88,1267 12.188,1268 8.223,1269 10.32,1270 0.272,1271 0.165,1272 10.936,1273 6.277,1274 9.151,1275 0.173,1276 0.093,1277 10.01,1278 4.939,1279 8.017,1280 0.108,1281 0.05,1282 8.994,1283 3.73,1284 6.854,1285 0.071,1286 0.028,1287 7.803,1288 2.647,1289 0.325,1290 78.307,1291 0.233,1292 23.052,1293 0.601,1294 130,1295 391.955,1296 166.986,1297 397.044,1298 555.02,1299 376,1300 156,1301 400.017,1302 193.199,1303 424.774,1304 623.04,1305 397,1306 5} {0 CHEMBL2153517,1 1.712,2 9.538,3 4.581,4 20.989,5 102.184,6 8.546,7 0.724,8 3.897,9 3.984,10 3.632,11 3.469,12 5.07,13 3.454,14 4.389,15 4.525,16 4.004,17 3.84,18 5.493,19 3.81,20 4.463,21 4.574,22 4.155,23 3.943,24 5.61,25 3.908,26 4.576,27 4.715,28 4.067,29 3.967,30 5.693,31 3.905,32 4.665,33 4.838,34 3.882,35 3.911,36 5.707,37 3.839,38 4.607,39 4.802,40 3.771,41 3.854,42 5.632,43 3.751,44 4.586,45 4.857,46 3.735,47 3.715,48 5.466,49 3.609,50 4.306,51 4.502,52 3.712,53 3.588,54 5.356,55 3.526,56 0.064,57 0.617,58 7.421,59 3.993,60 7.022,61 4.307,62 0.366,63 0.98,64 16.602,65 6.775,66 23.972,67 6.933,68 0.392,69 1.115,70 17.675,71 7.004,72 17.789,73 7.644,74 0.402,75 1.201,76 20.75,77 8.614,78 22.325,79 9.489,80 0.575,81 1.233,82 24.358,83 8.816,84 37.036,85 9.286,86 0.475,87 1.222,88 22.669,89 8.249,90 33.98,91 9.467,92 0.415,93 1.13,94 27.214,95 8.97,96 31.77,97 11.731,98 0.346,99 0.857,100 17.512,101 6.441,102 24.001,103 7.52,104 19,105 41,106 0.294,107 0.605,108 0.694,109 0.759,110 0.778,111 0.811,112 3.305,113 0.906,114 -3.83,115 -3.79,116 -3.6,119 44.2,123 3,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 4,161 1,162 3,164 1,166 2,168 7,171 2,172 5,176 1,178 4,181 1,182 7,185 3,187 1,190 1,194 3,197 1,199 2,202 2,205 2,206 4,211 2,213 2,216 1,217 2,224 4,228 2,229 3,237 4,241 1,242 5,255 906,256 18.196,257 18.196,258 18.196,259 18.196,260 18.196,261 15.789,262 19.638,263 10.571,264 19.043,265 14.151,266 14.151,267 14.151,268 14.151,269 14.151,270 10.323,271 32.239,272 4.727,273 15.278,274 3.714,275 1.906,276 1.385,277 1.007,278 0.896,279 0.704,280 4.005,284 1,285 541,286 2.915,288 39.502,289 187.981,291 160.187,295 1.343,296 19.292,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 56.5,307 248,308 4.745,309 3.379,310 6.86,311 4.2,312 3.261,313 4.842,314 0.86,315 11.467,316 3.06,317 4.422,318 3.272,319 6.524,320 4.004,321 3.061,322 4.107,323 0.86,324 10.262,325 2.881,326 4.002,327 2.731,328 6.008,329 3.54,330 2.595,331 3.649,332 0.86,333 8.532,334 2.443,335 3.555,336 2.555,337 5.344,338 3.135,339 2.182,340 2.924,341 0.4,342 6.755,343 2.07,344 3.355,345 2.315,346 5.19,347 2.972,348 2.061,349 2.726,351 6.118,352 1.867,353 3.345,354 1.979,355 5.09,356 2.803,357 1.874,358 2.604,360 5.796,361 1.738,362 3.054,363 1.866,364 4.453,365 2.491,366 1.569,367 2.321,369 4.145,370 1.428,371 2.822,372 1.579,373 3.813,374 2.253,375 1.324,376 1.983,378 3.06,379 1.219,380 2.658,381 1.325,382 3.778,383 2.157,384 1.209,385 1.73,386 2.85,387 1.141,388 2.205,389 1.215,390 3.6,391 1.96,392 1.119,393 1.188,394 2.383,395 0.933,396 1.971,397 1.012,398 3.178,399 1.425,400 0.538,401 0.752,402 1.321,403 0.469,404 1.576,405 0.916,406 2.859,407 1.27,408 0.396,409 0.452,411 0.603,412 0.342,413 1.441,414 0.588,415 2.844,416 1.171,417 0.331,418 0.359,420 0.444,421 0.276,422 1.267,423 0.228,424 2.488,425 0.88,426 -0.028,427 -0.036,429 -0.064,430 -0.025,431 0.882,432 -0.07,433 2.414,434 0.449,435 -0.458,436 -0.567,438 -0.906,439 -0.407,440 12.533,441 0.482,442 0.513,443 0.02,444 37.5,445 1.442,446 20,447 0.769,448 17.5,449 0.673,450 19.217,451 0.739,452 27.067,453 0.629,454 26.578,455 1.022,456 7.564,457 0.291,458 5.181,459 0.199,460 0.12,462 0.359,466 0.914,467 1.218,468 0.69,469 0.972,470 0.849,471 0.868,472 1.417,473 0.714,474 0.808,475 0.608,476 1.217,477 0.59,478 0.83,479 1.27,480 0.919,481 1.096,482 0.806,483 0.916,484 0.818,485 1.235,486 1.099,487 1.217,488 0.736,489 1.115,490 1.613,491 1.025,492 1.195,493 0.93,494 1.5,495 1.04,496 1.119,497 1.087,498 1.198,499 1.05,500 1.223,501 1.174,502 0.618,503 0.726,504 0.595,505 0.731,506 0.663,507 0.699,508 0.96,509 0.771,510 0.747,511 0.81,512 0.975,513 0.779,514 4.5,515 0.11,516 2.889,517 2.451,518 1.635,519 0.684,520 0.535,521 0.287,522 0.311,523 0.253,524 7593,525 22031,526 2.124,527 39.5,529 15,531 1,532 1,536 1.694,537 2,538 3.251,539 -0.294,545 73.622,546 1.712,547 3.52,548 4.041,549 4.42,550 4.53,551 4.722,552 2.643,553 4.316,554 4.676,555 3.382,556 1099.09,557 8.115,558 13381.2,560 1,563 233.329,564 1.37,565 4.637,566 0.155,567 0.007,568 0.07,569 0.054,570 0.039,571 0.02,572 0.018,573 0.01,574 0.011,575 0.011,576 0.397,577 0.33,578 1,579 0.9,580 125.474,581 -0.063,582 -0.163,583 0.071,584 -0.049,585 -0.062,586 -0.007,587 -0.196,588 0.319,589 0.14,590 0.37,591 -0.14,592 0.307,593 0.171,594 -0.188,595 0.083,596 -0.064,597 0.094,598 -0.027,599 0.154,600 -0.196,601 -0.104,602 -0.202,603 0.173,604 -0.193,605 -0.316,606 -0.042,607 -0.253,608 0.002,609 -0.323,610 -0.124,611 -0.141,612 -0.056,613 -0.261,614 -0.124,615 -0.243,616 -0.239,617 0.164,618 0.201,619 0.412,620 0.223,621 0.262,622 0.377,623 0.096,624 0.2,625 0.231,626 0.155,627 0.106,628 0.2,629 1.116,630 1.917,631 0.731,632 19.822,633 1.013,634 1.115,635 2.6,636 6.76,637 0.706,638 3.401,639 3.738,640 4.094,641 4.419,642 4.654,643 4.736,644 4.898,645 5.056,646 5.088,647 5.209,648 5.798,649 0.676,650 367.46,651 3.401,652 4.949,653 5.832,654 6.735,655 7.635,656 8.544,657 9.449,658 10.361,659 11.268,660 12.181,661 7,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 3,699 43,700 21,701 2,702 29,704 46,705 19,706 16,707 6,708 6,710 4,711 7,721 16,722 3,733 1,736 17,737 6,738 1,739 7,740 1,743 3,747 0.5,748 3,755 1,759 1,760 3,762 2,777 2,779 1,781 3,785 26,790 1,791 3,797 1,801 7,806 3,808 13,809 8.9,810 5.917,811 2.275,812 4.364,813 1.564,814 1.007,815 4.72,816 12.107,817 3.701,818 4.391,819 5.107,820 5.802,821 6.413,822 6.814,823 7.305,824 7.808,825 8.092,826 8.519,827 1,828 45,829 9.527,831 3.978,832 7.647,833 18.172,835 14.597,837 2.147,838 55.833,841 1,842 188.338,843 156.427,844 51.582,846 33,848 31.278,849 125.149,850 221.337,851 51.582,852 32.649,854 56.857,855 45.342,856 82.833,857 3.82,858 207.844,860 188.338,861 176.731,862 33,863 31.278,865 188.338,866 33,869 28.773,870 114.386,871 33.571,872 31.278,873 188.338,874 84.581,875 156.427,878 188.338,879 58.301,880 98.125,881 18.011,882 66.571,883 188.338,884 84.581,885 156.427,887 0.571,888 0.366,889 0.218,890 0.117,891 21,892 9,893 0.109,894 5,895 2,896 1.211,897 3.717,898 229.81,899 0.211,900 19,901 114.211,902 1,904 17.157,905 7.154,906 3.041,907 4.247,908 84.581,909 13.475,910 8.883,913 1.66,914 3.24,916 18.011,917 429.346,918 39.5,926 43.549,927 47.95,928 0.316,929 0.649,930 0.745,931 0.814,932 0.835,933 0.87,934 4.929,935 1.324,936 5.82,937 4.145,938 4.419,939 5.078,940 1.751,941 6.686,942 4.276,943 6.165,944 1.209,945 7.408,946 3.06,947 4.007,948 5.007,950 7.687,951 3.817,952 7.502,953 1.119,954 9.098,955 2.85,956 6.057,957 7.442,958 1.466,959 10.826,960 5.799,961 8.884,962 0.538,963 10.848,964 2.383,965 6.509,966 8.243,968 12.663,969 6.184,970 10.299,971 0.396,972 12.636,973 1.321,974 8.002,975 10.136,976 1.234,977 15.316,978 7.63,979 11.74,980 0.331,981 14.451,982 0.603,983 8.85,984 11.347,986 17.492,987 8.402,988 13.201,989 -0.028,990 16.285,991 0.444,992 10.129,993 13.029,994 1.028,995 19.985,996 9.637,997 3.261,998 -0.458,999 18.133,1000 -0.064,1001 11.155,1002 14.434,1004 22.3,1005 10.586,1006 3.061,1007 11.467,1008 19.992,1009 -0.906,1010 12.354,1011 16.035,1012 0.845,1013 24.741,1014 11.736,1015 2.595,1016 10.262,1017 21.86,1018 4.842,1019 13.457,1020 17.527,1022 27.114,1023 12.766,1024 2.182,1025 8.532,1026 23.735,1027 4.107,1028 14.629,1029 19.101,1030 0.684,1031 29.539,1032 13.883,1033 2.061,1034 6.755,1035 25.616,1036 3.649,1037 15.765,1038 20.633,1040 31.939,1041 14.951,1042 1.874,1043 6.118,1044 27.502,1045 2.924,1046 16.929,1047 22.2,1048 0.546,1049 34.361,1050 16.056,1051 1.569,1052 5.796,1053 29.392,1054 2.726,1055 18.081,1056 23.752,1058 36.774,1059 17.141,1060 7267,1061 12511,1062 19.592,1063 30.358,1064 42.885,1065 44.169,1066 45.566,1067 42.913,1068 43.042,1069 59.274,1070 5.96,1071 127.471,1072 39.736,1073 5.521,1074 5.379,1075 6.541,1076 5.326,1077 5.261,1078 7.842,1079 1.72,1080 18.837,1081 5.06,1082 11.437,1083 1.479,1084 1.523,1085 1.571,1086 1.48,1087 1.484,1088 2.044,1089 0.206,1090 4.396,1091 1.37,1092 4.161,1093 4.173,1094 4.397,1095 4.167,1096 5.102,1097 4.122,1098 3.927,1099 3.937,1100 3.899,1101 3.824,1102 4.963,1103 3.838,1104 3.639,1105 3.685,1106 3.586,1107 3.516,1108 4.677,1109 3.522,1110 3.303,1111 3.355,1112 3.344,1113 3.033,1114 4.58,1115 3.04,1116 3.274,1117 3.335,1118 3.146,1119 3.006,1120 4.467,1121 3.026,1122 3.199,1123 3.278,1124 3.144,1125 2.996,1126 4.292,1127 2.945,1128 3.057,1129 3.091,1130 2.975,1131 2.895,1132 3.977,1133 2.894,1134 2.957,1135 3.029,1136 2.852,1137 2.818,1138 3.908,1139 2.811,1140 0.164,1141 0.117,1142 0.237,1143 0.145,1144 0.112,1145 4.745,1146 0.167,1147 3.379,1148 0.03,1149 6.86,1150 0.395,1151 4.2,1152 0.106,1153 3.261,1154 4.842,1155 0.86,1156 11.467,1157 3.06,1158 1.945,1159 1.924,1160 2.021,1161 2.048,1162 1.152,1163 2.034,1164 1.88,1165 1.868,1166 1.946,1167 1.986,1168 1.076,1169 1.983,1170 1.724,1171 1.711,1172 1.724,1173 1.838,1174 0.89,1175 1.836,1176 1.227,1177 1.163,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.207,1183 1.141,1184 1.571,1185 1.519,1186 0.574,1187 1.535,1188 1.157,1189 1.07,1190 1.537,1191 1.471,1192 0.561,1193 1.493,1194 1.014,1195 0.996,1196 1.158,1197 1.153,1198 0.285,1199 1.161,1200 0.946,1201 0.888,1202 1.086,1203 1.094,1204 0.212,1205 1.139,1206 4.078,1208 5.407,1209 2.398,1210 6.956,1211 4.844,1212 8.604,1213 7.066,1214 10.303,1216 4.768,1223 3.352,1224 16.207,1231 29.083,1232 73.622,1233 151.374,1234 173.781,1235 190.045,1236 194.8,1237 203.065,1238 31.628,1239 7.743,1240 65.5,1241 93.74,1242 23,1243 12.695,1244 4.459,1245 3.524,1246 37.944,1247 92,1248 80,1249 0.207,1250 180.607,1251 298.34,1252 432.442,1253 24153,1255 18.096,1256 0.696,1257 0.592,1258 18.449,1259 15.385,1260 12.745,1261 0.439,1262 0.302,1263 7.839,1264 11.66,1265 7.501,1266 6.275,1267 13.153,1268 8.758,1269 10.945,1270 0.267,1271 0.161,1272 11.56,1273 6.589,1274 10,1275 0.169,1276 0.089,1277 10.859,1278 5.252,1279 8.94,1280 0.109,1281 0.049,1282 9.917,1283 4.003,1284 7.416,1285 0.071,1286 0.027,1287 8.365,1288 2.802,1289 0.319,1290 85.215,1291 0.226,1292 24.667,1293 0.586,1294 140,1295 447.69,1296 179.865,1297 443.17,1298 616.65,1299 420,1300 170,1301 442.562,1302 211.407,1303 467.245,1304 688.32,1305 435,1306 5} {0 CHEMBL2153518,1 1.726,2 8.783,3 4.399,4 19.349,5 88.561,6 9.452,7 0.778,8 3.712,9 3.785,10 3.544,11 3.364,12 4.875,13 3.354,14 4.207,15 4.301,16 3.961,17 3.774,18 5.385,19 3.744,20 4.312,21 4.447,22 3.976,23 3.812,24 5.395,25 3.753,26 4.294,27 4.453,28 3.773,29 3.726,30 5.342,31 3.637,32 4.18,33 4.369,34 3.573,35 3.562,36 5.207,37 3.474,38 4.064,39 4.23,40 3.539,41 3.488,42 5.157,43 3.417,44 4.012,45 4.198,46 3.45,47 3.375,48 5.038,49 3.306,50 3.822,51 3.967,52 3.366,53 3.231,54 4.913,55 3.187,56 0.065,57 0.483,58 4.195,59 2.804,60 4.937,61 2.687,62 0.323,63 0.817,64 9.092,65 4.977,66 17.665,67 4.465,68 0.211,69 0.962,70 13.459,71 5.981,72 12.882,73 5.931,74 0.279,75 0.94,76 15.328,77 6.531,78 16.845,79 6.492,80 0.256,81 0.842,82 14.137,83 5.707,84 17.525,85 6.043,86 0.233,87 0.764,88 11.439,89 4.687,90 16.056,91 4.476,92 0.225,93 0.684,94 12.087,95 4.835,96 15.23,97 5.168,98 0.187,99 0.524,100 8.129,101 3.771,102 12.086,103 3.842,105 39,106 0.308,107 0.627,108 0.763,109 0.877,110 0.898,111 0.898,112 3.19,113 0.888,114 -4.54,115 -4.46,116 -4.2,119 50,125 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 5,161 2,162 3,164 1,166 2,168 7,172 6,176 2,178 5,182 6,185 2,187 1,190 1,194 4,197 1,199 2,202 2,205 1,206 4,211 2,213 3,216 1,217 2,224 5,228 1,229 2,237 6,241 1,242 3,250 2,255 666,256 16.24,257 16.24,258 16.24,259 16.24,260 16.24,261 13.834,262 16.088,263 9.539,264 16.722,265 13.391,266 13.391,267 13.391,268 13.391,269 13.391,270 9.71,271 27.045,272 4.552,273 14.223,274 3.362,275 1.578,276 0.813,277 0.176,278 0.059,279 0.059,280 3.912,284 1,285 469,286 2.236,288 74.862,289 134.471,291 199.701,295 1.289,296 15.464,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 49.5,307 202,308 4.744,309 3.322,310 6.86,311 4.199,312 3.26,313 4.842,314 1.392,315 11.466,316 3.059,317 4.294,318 3.268,319 6.198,320 3.893,321 2.943,322 3.933,323 0.532,324 9.277,325 2.788,326 3.998,327 2.746,328 6.003,329 3.539,330 2.594,331 3.643,332 0.4,333 8.51,334 2.442,335 3.565,336 2.34,337 5.323,338 3.159,339 2.202,340 2.926,342 6.703,343 2.097,344 3.349,345 1.992,346 5.078,347 2.81,348 1.879,349 2.732,351 5.785,352 1.745,353 3.055,354 1.925,355 4.454,356 2.492,357 1.57,358 2.322,360 4.248,361 1.439,362 2.886,363 1.718,364 4.353,365 2.477,366 1.534,367 2.024,369 4.094,370 1.428,371 2.822,372 1.57,373 3.812,374 2.253,375 1.324,376 1.983,378 3.059,379 1.22,380 2.658,381 1.325,382 3.601,383 2.169,384 1.201,385 1.731,386 2.844,387 1.157,388 2.208,389 1.209,390 3.453,391 2.077,392 1.087,393 1.186,394 2.447,395 1.074,396 1.986,397 0.816,398 3.208,399 1.489,400 0.575,401 0.78,402 1.428,403 0.518,404 1.702,405 0.567,406 3.041,407 1.335,408 0.427,409 0.535,411 1.049,412 0.382,413 1.245,414 0.1,415 2.828,416 0.852,417 -0.069,418 -0.088,420 -0.184,421 -0.063,422 0.812,423 -0.393,424 2.414,425 0.364,426 -0.577,427 -0.766,429 -1.489,430 -0.534,431 0.799,432 -0.585,433 2.321,434 0.24,435 -0.701,436 -1.051,438 -1.781,439 -0.643,440 11.2,441 0.487,442 0.462,443 0.02,444 35.5,445 1.543,446 19.5,447 0.848,448 16,449 0.696,450 14.541,451 0.632,452 22.4,453 0.659,454 21.76,455 0.946,456 6.845,457 0.298,458 4.537,459 0.197,462 0.357,466 0.903,467 1.064,468 0.634,469 0.819,470 0.866,471 0.725,472 1.106,473 0.812,474 0.834,475 0.741,476 1.024,477 0.748,478 0.881,479 1.255,480 1.003,481 1.129,482 0.865,483 0.997,484 0.884,485 1.132,486 1.27,487 1.165,488 0.902,489 1.12,490 0.82,491 1.068,492 1.096,493 0.994,494 0.927,495 1.013,496 0.973,497 1.044,498 1.218,499 1.026,500 1.071,501 1.029,502 0.818,503 0.872,504 0.929,505 0.979,506 0.923,507 0.946,508 1.056,509 0.849,510 0.809,511 0.977,512 1.088,513 0.97,514 3.5,515 0.032,516 2.444,517 1.708,518 1.039,519 0.354,520 0.398,521 0.202,522 0.13,523 0.098,524 6306,525 17840,526 2.303,527 32.4,529 7,530 2,531 1,532 1,536 1.657,537 2.262,538 3.162,539 -0.284,541 1,545 58.678,546 1.726,547 3.509,548 4.274,549 4.911,550 5.029,551 5.029,552 2.525,553 4.437,554 4.5,555 3.283,556 830.698,557 7.742,558 9166.75,560 1,562 1,563 172.974,564 0.932,565 4.495,566 0.13,567 0.004,568 0.063,569 0.046,570 0.034,571 0.014,572 0.016,573 0.009,574 0.007,575 0.007,576 0.328,577 0.33,578 0.88,580 106.208,581 -0.086,582 -0.1,583 0.055,584 -0.001,585 -0.125,586 0.025,587 0.026,588 0.181,589 0.009,590 0.163,591 -0.04,592 0.049,593 -0.065,594 -0.243,595 0.022,596 -0.126,597 -0.045,598 -0.083,599 -0.033,600 -0.11,601 -0.18,602 -0.126,603 -0.024,604 -0.151,605 -0.033,606 -0.041,607 -0.067,608 -0.003,611 -0.119,612 0.039,613 -0.211,614 -0.056,615 -0.136,616 -0.104,617 0.077,618 0.112,619 0.086,620 0.011,621 0.06,622 0.084,623 0.068,624 0.061,625 0.093,626 -0.038,627 -0.019,628 -0.014,629 1.229,630 1.92,631 0.957,632 15.777,633 1.017,634 1.103,635 3.308,636 10.944,637 0.754,638 3.332,639 3.689,640 4.043,641 4.382,642 4.615,643 4.718,644 4.898,645 5.081,646 5.069,647 5.204,648 5.386,649 0.729,650 321.38,651 3.332,652 4.89,653 5.778,654 6.681,655 7.582,656 8.491,657 9.397,658 10.307,659 11.216,660 12.128,661 8.8,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 2,699 34,700 21,701 2,702 27,704 38,705 17,706 16,707 5,708 7,710 5,711 9,721 16,722 1,733 1,736 11,737 5,738 1,739 6,740 1,743 3,747 0.4,748 2,755 1,759 2,760 3,762 3,777 2,779 1,785 23,789 1,790 1,791 2,797 1,801 5.9,806 2,808 10.167,809 6.317,810 4.889,811 1.949,812 4.408,813 1.559,814 1.098,815 2.962,816 12.294,817 3.651,818 4.353,819 5.064,820 5.766,821 6.385,822 6.787,823 7.292,824 7.807,825 8.061,826 8.481,827 0.833,828 37,829 8.448,831 3.708,832 7.594,833 16.265,835 13.822,837 2.094,838 48.167,842 117.711,843 134.66,844 51.582,846 22,848 31.278,849 103.383,850 139.711,851 51.582,853 6.65,854 66.334,855 45.342,856 66.59,857 27.362,858 113.675,860 117.711,861 154.965,862 22,863 31.278,865 117.711,866 22,869 35.424,870 85.97,871 33.571,872 31.278,873 117.711,874 73.582,875 134.66,878 117.711,879 59.708,880 74.952,881 18.011,882 55.571,883 117.711,884 73.582,885 134.66,887 0.585,888 0.355,889 0.208,890 0.111,891 23,892 8,893 0.053,894 2,895 3,896 1.273,897 3.664,898 201.3,899 0.273,900 22,901 104.042,902 1,904 13.228,905 5.15,906 2.158,907 4.385,908 73.582,909 15.623,910 8.851,913 1.69,914 3.226,916 18.011,917 325.953,918 37.5,926 34.571,927 37.495,928 0.339,929 0.69,930 0.84,931 0.965,932 0.988,933 0.988,934 4.885,935 1.324,936 5.759,937 4.094,938 4.369,939 5.04,940 1.751,941 6.608,942 4.25,943 6.116,944 1.201,945 7.33,946 3.059,947 3.892,948 4.913,950 7.545,951 3.705,952 7.446,953 1.087,954 9.003,955 2.844,956 5.989,957 7.391,958 2.164,959 10.697,960 5.755,961 8.819,962 0.575,963 10.738,964 2.447,965 6.399,966 8.162,968 12.51,969 6.085,970 10.228,971 0.427,972 12.514,973 1.428,974 7.919,975 10.078,976 2.746,977 15.159,978 7.569,979 11.664,980 -0.069,981 14.319,982 1.049,983 8.74,984 11.276,986 17.326,987 8.306,988 13.121,989 -0.577,990 16.144,991 -0.184,992 10.031,993 12.97,994 3.372,995 19.816,996 9.557,997 3.26,998 -0.701,999 17.984,1000 -1.489,1001 11.039,1002 14.371,1004 22.132,1005 10.485,1006 2.943,1007 11.466,1008 19.837,1009 -1.781,1010 12.242,1011 15.979,1012 4.015,1013 24.573,1014 11.64,1015 2.594,1016 9.277,1017 21.699,1018 4.842,1019 13.334,1020 17.472,1022 26.953,1023 12.658,1024 2.202,1025 8.51,1026 23.569,1027 3.933,1028 14.506,1029 19.051,1030 4.667,1031 29.382,1032 13.775,1033 1.879,1034 6.703,1035 25.445,1036 3.643,1037 15.636,1038 20.587,1040 31.79,1041 14.836,1042 1.57,1043 5.785,1044 27.328,1045 2.926,1046 16.799,1047 22.158,1048 5.323,1049 34.22,1050 15.94,1051 1.534,1052 4.248,1053 29.215,1054 2.732,1055 17.948,1056 23.713,1058 36.642,1059 17.021,1060 5629,1061 9612,1062 19.186,1063 25.619,1064 41.199,1065 41.826,1066 41.436,1067 41.203,1068 41.194,1069 57.274,1070 4.646,1071 121.824,1072 38.698,1073 5.581,1074 5.322,1075 6.541,1076 5.326,1077 5.26,1078 7.842,1079 2.783,1080 18.836,1081 5.059,1083 1.526,1084 1.549,1085 1.535,1086 1.526,1087 1.526,1088 2.121,1089 0.172,1090 4.512,1091 1.433,1092 4.161,1093 4.173,1094 4.397,1095 4.167,1096 5.103,1097 4.122,1098 3.943,1099 3.954,1100 3.907,1101 3.838,1102 4.994,1103 3.849,1104 3.642,1105 3.688,1106 3.588,1107 3.517,1108 4.678,1109 3.523,1110 3.316,1111 3.349,1112 3.346,1113 3.058,1114 4.396,1115 3.09,1116 3.057,1117 3.092,1118 3.222,1119 3.005,1120 4.021,1121 2.947,1122 2.981,1123 3.044,1124 2.897,1125 2.833,1126 3.972,1127 2.834,1128 2.867,1129 2.926,1130 2.756,1131 2.734,1132 3.917,1133 2.729,1134 2.746,1135 2.816,1136 2.614,1137 2.566,1138 3.654,1139 2.569,1140 0.176,1141 0.123,1142 0.254,1143 0.156,1144 0.121,1145 4.744,1146 0.179,1147 3.322,1148 0.052,1149 6.86,1150 0.425,1151 4.199,1152 0.113,1153 3.26,1154 4.842,1155 1.392,1156 11.466,1157 3.059,1158 1.945,1159 1.924,1160 2.021,1161 2.04,1162 1.152,1163 2.03,1164 1.87,1165 1.85,1166 1.946,1167 1.959,1168 1.065,1169 1.966,1170 1.718,1171 1.704,1172 1.717,1173 1.817,1174 0.887,1175 1.82,1176 1.161,1177 1.129,1178 1.439,1179 1.52,1180 0.579,1181 1.486,1182 1.023,1183 1,1184 1.168,1185 1.226,1186 0.286,1187 1.206,1188 0.973,1189 0.928,1190 1.127,1191 1.095,1192 0.226,1193 1.143,1194 0.841,1195 0.797,1196 1.065,1197 0.994,1198 0.16,1199 1.029,1200 0.794,1201 0.73,1202 1.006,1203 0.986,1204 0.073,1205 1.013,1206 4.007,1208 5.352,1209 3.045,1210 6.899,1211 5.416,1212 8.538,1213 7.545,1214 10.225,1222 0.271,1223 3.361,1224 10.76,1231 24.788,1232 58.678,1233 119.322,1234 145.322,1235 166.974,1236 170.974,1237 170.974,1238 21.629,1239 7.886,1240 56.27,1241 84.51,1242 28,1243 12.642,1244 4.459,1245 3.524,1246 28.635,1247 74,1248 64,1249 0.189,1250 150.033,1251 242.59,1252 357.841,1253 30296,1255 15.225,1256 0.662,1257 0.555,1258 15.579,1259 12.762,1260 11.382,1261 0.422,1262 0.296,1263 7.128,1264 10.501,1265 6.942,1266 5.7,1267 11.79,1268 7.989,1269 10.329,1270 0.265,1271 0.16,1272 10.944,1273 6.243,1274 9.395,1275 0.168,1276 0.089,1277 10.254,1278 4.96,1279 8.469,1280 0.107,1281 0.048,1282 9.446,1283 3.824,1284 6.96,1285 0.07,1286 0.026,1287 7.91,1288 2.647,1289 0.292,1290 75.508,1291 0.228,1292 22.305,1293 0.534,1294 132,1295 393.955,1296 170.536,1297 398.253,1298 563.36,1299 378,1300 161,1301 414.835,1302 200.303,1303 435.17,1304 648.83,1305 410,1306 5} {0 CHEMBL2153519,1 1.698,2 9.458,3 4.416,4 19.505,5 93.752,6 9.065,7 0.75,8 3.78,9 3.86,10 3.577,11 3.423,12 4.915,13 3.406,14 4.287,15 4.395,16 3.984,17 3.827,18 5.409,19 3.791,20 4.465,21 4.61,22 4.053,23 3.886,24 5.544,25 3.833,26 4.37,27 4.53,28 3.826,29 3.807,30 5.401,31 3.714,32 4.291,33 4.48,34 3.641,35 3.676,36 5.294,37 3.58,38 4.214,39 4.405,40 3.585,41 3.579,42 5.248,43 3.492,44 4.113,45 4.315,46 3.49,47 3.446,48 5.107,49 3.37,50 3.942,51 4.101,52 3.444,53 3.331,54 5,55 3.282,56 0.051,57 0.527,58 5.323,59 3.192,60 4.982,61 3.267,62 0.221,63 0.892,64 11.286,65 5.702,66 15.9,67 5.512,68 0.394,69 1.088,70 18.358,71 7.193,72 22.513,73 7.212,74 0.259,75 1.009,76 16.893,77 7.085,78 16.491,79 7.416,80 0.238,81 0.929,82 15.728,83 6.388,84 17.86,85 7.149,86 0.24,87 0.88,88 14.818,89 5.722,90 18.677,91 6.184,92 0.239,93 0.763,94 14.171,95 5.323,96 16.752,97 5.935,98 0.187,99 0.599,100 10.074,101 4.353,102 13.005,103 4.721,105 40,106 0.299,107 0.623,108 0.747,109 0.85,110 0.869,111 0.878,112 3.229,113 0.91,114 -4.37,115 -4.3,116 -4.06,119 48.6,124 2,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 5,161 1,162 3,164 1,166 2,168 7,171 1,172 6,176 2,178 5,182 6,185 2,187 1,190 1,194 4,197 1,199 2,202 2,205 1,206 4,211 2,213 3,216 1,217 2,224 5,228 1,229 2,237 6,241 1,242 3,250 2,255 748,256 16.947,257 16.947,258 16.947,259 16.947,260 16.947,261 14.541,262 17.482,263 10.039,264 17.553,265 13.891,266 13.891,267 13.891,268 13.891,269 13.891,270 10.21,271 28.789,272 4.8,273 14.922,274 3.511,275 1.666,276 0.964,277 0.378,278 0.27,279 0.216,280 3.953,284 1,285 524,286 2.236,288 32.597,289 193.976,291 131.733,292 85.853,295 1.375,296 16.481,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 51.5,307 227,308 4.744,309 3.295,310 6.86,311 4.199,312 3.26,313 4.842,314 0.86,315 11.466,316 3.059,317 4.283,318 3.241,319 6.188,320 3.871,321 2.927,322 3.925,323 0.86,324 9.25,325 2.76,326 3.996,327 2.74,328 6.003,329 3.534,330 2.591,331 3.642,332 0.4,333 8.507,334 2.434,335 3.56,336 2.337,337 5.322,338 3.149,339 2.199,340 2.921,342 6.697,343 2.078,344 3.348,345 2.175,346 5.078,347 2.809,348 1.88,349 2.73,351 5.785,352 1.742,353 3.055,354 1.929,355 4.464,356 2.53,357 1.618,358 2.322,360 4.384,361 1.469,362 2.923,363 1.781,364 4.391,365 2.492,366 1.573,367 2.061,369 4.111,370 1.429,371 2.822,372 1.576,373 3.812,374 2.323,375 1.404,376 1.983,378 3.062,379 1.277,380 2.659,381 1.325,382 3.618,383 2.253,384 1.323,385 1.732,386 3.002,387 1.219,388 2.474,389 1.212,390 3.6,391 2.145,392 1.181,393 1.473,394 2.833,395 1.132,396 2.006,397 1.007,398 3.233,399 1.615,400 0.713,401 0.866,402 1.662,403 0.636,404 1.892,405 0.6,406 3.138,407 1.405,408 0.518,409 0.716,411 1.297,412 0.451,413 1.314,414 0.217,415 2.863,416 0.92,417 0.008,418 0.01,420 0.021,421 0.007,422 0.908,423 -0.133,424 2.415,425 0.465,426 -0.453,427 -0.576,429 -1.103,430 -0.409,431 0.799,432 -0.314,433 2.331,434 0.311,435 -0.618,436 -0.729,438 -1.596,439 -0.565,440 11.7,441 0.488,442 0.462,443 0.019,444 36,445 1.5,446 19.5,447 0.813,448 16.5,449 0.688,450 16.095,451 0.671,452 23.7,453 0.641,454 22.544,455 0.939,456 6.9,457 0.288,458 4.982,459 0.208,462 0.342,466 0.893,467 1.082,468 0.65,469 0.844,470 0.835,471 0.759,472 1.245,473 0.894,474 0.839,475 0.818,476 1.091,477 0.801,478 1.195,479 1.109,480 0.983,481 0.977,482 1.078,483 0.875,484 0.87,485 1.145,486 1.236,487 1.165,488 0.882,489 1.115,490 0.784,491 1.099,492 1.079,493 1.029,494 0.911,495 1.058,496 0.905,497 1.068,498 1.128,499 1.012,500 0.993,501 1.018,502 0.866,503 0.834,504 0.916,505 0.917,506 0.932,507 0.893,508 1.014,509 0.887,510 0.762,511 0.941,512 1.044,513 0.919,514 3.5,515 0.037,516 2.444,517 1.639,518 1.226,519 0.358,520 0.432,521 0.206,522 0.136,523 0.128,524 7064,525 19112,526 2.289,527 35.1,529 11,531 1,532 1,536 1.668,537 2.25,538 3.248,539 -0.301,541 1,545 62.831,546 1.698,547 3.543,548 4.246,549 4.831,550 4.939,551 4.993,552 2.669,553 4.335,554 4.561,555 3.359,556 927.11,557 7.863,558 10583.7,560 1,562 1,563 192.75,564 0.918,565 4.557,566 0.125,567 0.003,568 0.061,569 0.041,570 0.037,571 0.013,572 0.017,573 0.009,574 0.006,575 0.008,576 0.32,577 0.33,578 0.88,580 112.875,581 -0.069,582 -0.098,583 0.063,584 -0.001,585 -0.075,586 0.025,587 -0.118,588 0.104,589 0.023,590 0.099,591 -0.098,592 0.03,593 -0.015,594 -0.103,595 0.061,596 0.034,597 -0.027,598 0.045,599 -0.025,600 -0.123,601 -0.179,602 -0.14,603 -0.022,604 -0.168,605 -0.025,606 -0.085,607 -0.101,608 -0.061,609 -0.022,610 -0.077,611 -0.063,612 -0.005,613 -0.117,614 -0.041,615 -0.057,616 -0.057,617 0.052,618 0.174,619 0.085,620 0.056,621 0.05,622 0.112,623 0.09,624 0.043,625 0.132,626 -0.011,627 0.025,628 0.034,629 0.926,630 2.142,631 0.958,632 17.292,633 1.012,634 1.106,635 3.14,636 9.858,637 0.74,638 3.367,639 3.714,640 4.06,641 4.394,642 4.673,643 4.745,644 4.92,645 5.106,646 5.153,647 5.231,648 5.627,649 0.711,650 335.41,651 3.367,652 4.92,653 5.802,654 6.701,655 7.598,656 8.503,657 9.407,658 10.314,659 11.22,660 12.13,661 8.1,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 2,699 37,700 21,701 2,702 28,704 41,705 18,706 16,707 5,708 7,710 5,711 9,721 16,722 2,733 1,736 13,737 5,738 1,739 6,740 1,743 3,747 0.4,748 2,755 1,759 1,760 4,762 2,763 1,777 2,779 1,785 24,789 2,790 1,791 2,797 1,801 5.4,806 2,808 10.667,809 6.817,810 5.139,811 2.199,812 4.417,813 1.552,814 1.083,815 3.351,816 12.416,817 3.676,818 4.366,819 5.07,820 5.769,821 6.399,822 6.793,823 7.296,824 7.811,825 8.087,826 8.485,827 1,828 40,829 8.832,831 3.857,832 7.569,833 17.081,835 14.489,837 2.069,838 49.667,842 141.253,843 137.195,844 51.582,846 22,848 31.278,849 105.917,850 163.253,851 51.582,853 9.185,854 66.334,855 45.342,856 66.59,857 3.82,858 160.76,860 141.253,861 157.499,862 22,863 31.278,865 141.253,866 22,869 37.958,870 85.97,871 33.571,872 31.278,873 141.253,874 73.582,875 137.195,878 141.253,879 62.243,880 74.952,881 18.011,882 55.571,883 141.253,884 73.582,885 137.195,887 0.582,888 0.352,889 0.206,890 0.116,891 23,892 8,893 0.049,894 2,895 3,896 1.261,897 3.746,898 211.899,899 0.261,900 23,901 110.039,902 1,904 14.138,905 5.689,906 2.445,907 4.391,908 73.582,909 15.695,910 8.882,913 1.693,914 3.254,916 18.011,917 352.03,918 38.5,926 37.454,927 40.91,928 0.326,929 0.68,930 0.815,931 0.927,932 0.948,933 0.958,934 4.907,935 1.404,936 5.778,937 4.111,938 4.394,939 5.053,940 1.454,941 6.619,942 4.258,943 6.131,944 1.323,945 7.343,946 3.062,947 3.892,948 4.913,950 7.545,951 3.705,952 7.457,953 1.181,954 9.011,955 3.002,956 6.004,957 7.394,958 1.175,959 10.699,960 5.748,961 8.825,962 0.713,963 10.743,964 2.833,965 6.382,966 8.158,968 12.504,969 6.064,970 10.231,971 0.518,972 12.517,973 1.662,974 7.922,975 10.078,976 0.966,977 15.158,978 7.551,979 11.663,980 0.008,981 14.32,982 1.297,983 8.721,984 11.273,986 17.322,987 8.279,988 13.118,989 -0.453,990 16.143,991 0.021,992 10.025,993 12.968,994 0.788,995 19.814,996 9.532,997 3.26,998 -0.618,999 17.983,1000 -1.103,1001 11.022,1002 14.368,1004 22.128,1005 10.456,1006 2.927,1007 11.466,1008 19.834,1009 -1.596,1010 12.23,1011 15.977,1012 0.634,1013 24.571,1014 11.611,1015 2.591,1016 9.25,1017 21.696,1018 4.842,1019 13.318,1020 17.47,1022 26.95,1023 12.627,1024 2.199,1025 8.507,1026 23.565,1027 3.925,1028 14.492,1029 19.049,1030 0.504,1031 29.38,1032 13.745,1033 1.88,1034 6.697,1035 25.442,1036 3.642,1037 15.62,1038 20.585,1040 31.788,1041 14.805,1042 1.618,1043 5.785,1044 27.324,1045 2.921,1046 16.785,1047 22.156,1048 0.395,1049 34.218,1050 15.91,1051 1.573,1052 4.384,1053 29.211,1054 2.73,1055 17.933,1056 23.712,1058 36.64,1059 16.991,1060 6336,1061 10568,1062 19.879,1063 27.381,1064 42.526,1065 42.928,1066 42.854,1067 42.364,1068 42.389,1069 58.444,1070 4.24,1071 124.157,1072 39.388,1073 5.689,1074 5.295,1075 6.547,1076 5.339,1077 5.26,1078 7.842,1079 1.72,1080 18.836,1081 5.059,1083 1.519,1084 1.533,1085 1.531,1086 1.513,1087 1.514,1088 2.087,1089 0.151,1090 4.434,1091 1.407,1092 4.161,1093 4.173,1094 4.397,1095 4.167,1096 5.1,1097 4.122,1098 3.939,1099 3.953,1100 3.899,1101 3.836,1102 4.941,1103 3.846,1104 3.646,1105 3.693,1106 3.59,1107 3.518,1108 4.677,1109 3.525,1110 3.449,1111 3.5,1112 3.354,1113 3.25,1114 4.384,1115 3.258,1116 3.062,1117 3.105,1118 3.31,1119 3.015,1120 4.214,1121 2.952,1122 3.02,1123 3.076,1124 2.944,1125 2.865,1126 3.992,1127 2.868,1128 2.892,1129 2.94,1130 2.793,1131 2.747,1132 3.952,1133 2.746,1134 2.828,1135 2.888,1136 2.707,1137 2.668,1138 3.667,1139 2.669,1140 0.169,1141 0.118,1142 0.245,1143 0.15,1144 0.116,1145 4.744,1146 0.173,1147 3.295,1148 0.031,1149 6.86,1150 0.41,1151 4.199,1152 0.109,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.059,1158 1.946,1159 1.925,1160 2.023,1161 2.056,1162 1.153,1163 2.041,1164 1.896,1165 1.881,1166 1.982,1167 1.999,1168 1.111,1169 1.999,1170 1.73,1171 1.716,1172 1.742,1173 1.849,1174 0.945,1175 1.849,1176 1.413,1177 1.361,1178 1.661,1179 1.634,1180 0.869,1181 1.648,1182 1.021,1183 0.999,1184 1.177,1185 1.205,1186 0.286,1187 1.2,1188 0.97,1189 0.919,1190 1.143,1191 1.095,1192 0.231,1193 1.143,1194 0.877,1195 0.828,1196 1.069,1197 1.066,1198 0.179,1199 1.079,1200 0.786,1201 0.73,1202 0.999,1203 0.972,1204 0.063,1205 0.997,1206 4.043,1208 5.38,1209 2.398,1210 6.93,1211 4.844,1212 8.576,1213 7.066,1214 10.269,1222 1.165,1223 3.382,1224 11.205,1231 26.315,1232 62.831,1233 131.098,1234 157.098,1235 178.75,1236 182.75,1237 184.75,1238 24.396,1239 7.999,1240 56.27,1241 84.51,1242 29,1243 12.646,1244 4.459,1245 3.524,1246 30.368,1247 81,1248 76,1249 0.184,1250 159.625,1251 259.89,1252 381.246,1253 35359,1255 15.933,1256 0.664,1257 0.561,1258 16.286,1259 13.469,1260 11.882,1261 0.424,1262 0.303,1263 7.628,1264 10.989,1265 7.443,1266 6.087,1267 12.29,1268 8.489,1269 10.682,1270 0.267,1271 0.163,1272 11.298,1273 6.534,1274 9.645,1275 0.169,1276 0.09,1277 10.504,1278 5.13,1279 8.64,1280 0.108,1281 0.05,1282 9.617,1283 3.971,1284 7.498,1285 0.071,1286 0.027,1287 8.447,1288 2.838,1289 0.284,1290 78.508,1291 0.224,1292 23.202,1293 0.514,1294 136,1295 397.955,1296 174.315,1297 401.673,1298 568.8,1299 382,1300 165,1301 418.835,1302 204.413,1303 436.746,1304 651.39,1305 414,1306 5} {0 CHEMBL2153520,1 1.816,2 8.636,3 5.585,4 31.187,5 90.633,6 12.073,7 0.84,8 3.594,9 3.674,10 3.62,11 3.346,12 4.818,13 3.302,14 4.051,15 4.149,16 4.085,17 3.756,18 5.297,19 3.687,20 4.255,21 4.392,22 4.173,23 3.808,24 5.498,25 3.722,26 4.198,27 4.356,28 4.054,29 3.665,30 5.457,31 3.578,32 4.03,33 4.202,34 3.741,35 3.486,36 5.27,37 3.416,38 3.966,39 4.112,40 3.766,41 3.465,42 5.23,43 3.396,44 3.912,45 4.096,46 3.682,47 3.338,48 5.176,49 3.242,50 3.625,51 3.797,52 3.865,53 3.208,54 4.815,55 3.06,56 0.064,57 0.479,58 0.242,59 2.109,60 4.395,61 2.118,62 0.144,63 0.8,64 0.531,65 3.698,66 10.249,67 3.681,68 0.288,69 1.063,70 17.245,71 6.255,72 23.68,73 5.619,74 0.335,75 1.001,76 18.293,77 6.547,78 30.992,79 5.423,80 0.266,81 0.851,82 9.539,83 4.82,84 26.875,85 4.483,86 0.197,87 0.808,88 9.711,89 4.428,90 13.701,91 3.494,92 0.268,93 0.764,94 9.701,95 4.678,96 27.173,97 4.355,98 0.116,99 0.476,100 14.071,101 3.869,102 10.396,103 3.867,104 5,105 36,106 0.332,107 0.624,108 0.777,109 0.893,110 0.905,111 0.905,112 3.148,113 0.981,114 -5.97,115 -5.82,116 -5.41,117 1,119 51.6,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 5,161 1,162 1,164 1,166 1,168 9,172 3,176 3,178 6,182 4,185 1,187 1,190 1,194 5,199 3,202 1,206 3,211 2,213 3,217 3,224 4,237 7,242 1,250 5,255 594,256 15.085,257 15.085,258 15.085,259 15.085,260 15.085,261 12.574,262 11.087,263 8.822,264 15.636,265 12.364,266 12.364,267 12.364,268 12.364,269 12.364,270 8.654,271 16.722,272 4.202,273 13.393,274 3.138,275 1.537,276 0.698,277 0.065,280 3.849,284 1,285 424,286 2.236,288 30.11,289 145.644,291 123.093,295 1.215,296 19.591,299 0.75,300 0.83,301 1,302 0.4,304 1,305 0.71,306 46.75,307 190,308 4.745,309 3.309,310 6.861,311 4.2,312 3.261,313 4.842,314 0.4,315 11.469,316 3.06,317 4.248,318 3.189,319 6.135,320 3.813,321 2.872,322 3.899,324 8.993,325 2.689,326 3.963,327 2.733,328 5.914,329 3.461,330 2.518,331 3.623,333 8.155,334 2.361,335 3.479,336 2.562,337 5.172,338 2.981,339 2.108,340 2.852,342 6.045,343 1.817,344 3.357,345 2.022,346 4.95,347 2.813,348 1.899,349 2.718,351 5.685,352 1.633,353 3.064,354 1.785,355 4.503,356 2.502,357 1.591,358 2.332,360 4.283,361 1.431,362 2.842,363 1.564,364 4.111,365 2.379,366 1.43,367 1.99,369 3.585,370 1.343,371 2.818,372 1.325,373 3.812,374 2.253,375 1.322,376 1.964,378 3.057,379 1.219,380 2.65,381 1.209,382 3.601,383 2.141,384 1.176,385 1.72,386 2.834,387 1.126,388 2,389 0.76,390 3.216,391 1.473,392 0.581,393 0.799,394 1.443,395 0.5,396 1.578,397 0.465,398 2.923,399 1.127,400 0.255,401 0.33,402 0.615,403 0.204,404 1.066,405 0.229,406 2.416,407 0.58,408 -0.315,409 -0.415,411 -0.778,412 -0.24,413 0.799,414 -0.103,415 2.359,416 0.317,417 -0.515,418 -0.621,420 -1.242,421 -0.339,422 0.797,423 -0.662,424 2.325,425 0.243,426 -0.701,427 -1.051,429 -1.78,430 -0.639,431 0.618,432 -0.701,433 2.136,434 0.098,435 -0.818,436 -1.129,438 -2.131,439 -0.706,440 11.652,441 0.53,442 0.538,443 0.024,444 32.75,445 1.489,446 18.5,447 0.841,448 14.25,449 0.648,450 16.16,451 0.735,452 20.748,453 0.669,454 19.374,455 0.881,456 6.1,457 0.277,458 4.62,459 0.21,460 0.139,462 0.343,464 1,466 0.627,467 0.852,468 0.474,469 0.62,470 0.538,471 0.637,472 0.662,473 0.841,474 0.596,475 0.724,476 0.603,477 0.775,478 0.93,479 1.115,480 1.02,481 1.121,482 0.922,483 1.007,484 1.195,485 1.169,486 0.875,487 1.158,488 1.209,489 1.073,490 0.887,491 0.963,492 0.459,493 0.887,494 0.86,495 0.934,496 1.122,497 1.189,498 0.784,499 1.057,500 1.022,501 1.043,502 1.116,503 0.956,504 0.739,505 0.955,506 1.23,507 1.011,508 0.803,509 0.877,510 0.914,511 0.731,512 0.795,513 0.925,514 4,515 0.038,516 2.667,517 1.764,518 1.244,519 0.441,520 0.394,521 0.373,522 0.121,523 0.126,524 5001,525 17431,526 2.176,527 29,529 7,531 1,532 1,536 1.647,537 2.063,538 3.107,539 -0.265,545 56.296,546 1.816,547 3.417,548 4.256,549 4.89,550 4.954,551 4.954,552 2.487,553 4.278,554 4.434,555 3.21,556 741.416,557 7.623,558 7881.89,563 153.58,564 1.322,565 4.403,566 0.16,567 0.009,568 0.074,569 0.049,570 0.041,571 0.017,572 0.016,573 0.019,574 0.008,575 0.011,576 0.404,577 0.5,578 0.88,579 0.517,580 99.56,581 -0.063,582 -0.03,583 -0.004,584 0.04,585 -0.061,586 0.04,587 0.009,588 0.033,589 -0.004,590 0.036,591 -0.008,592 -0.034,593 0.016,594 -0.133,595 -0.093,596 -0.143,597 -0.014,598 -0.094,599 -0.066,600 -0.081,601 -0.056,602 -0.154,603 -0.057,604 -0.121,605 0.037,606 0.025,607 0.015,608 -0.024,609 0.044,610 0.003,611 -0.149,612 -0.173,613 -0.088,614 -0.165,615 -0.091,616 -0.172,617 0.029,618 0.111,619 0.014,620 0.013,621 -0.002,622 0.017,623 0.042,624 -0.042,625 0.269,626 0.266,627 0.082,628 0.166,629 1.998,630 6.008,631 0.864,632 15,633 1.021,634 1.105,635 4.735,636 22.422,637 0.806,638 3.258,639 3.611,640 3.932,641 4.248,642 4.511,643 4.585,644 4.727,645 4.905,646 4.905,647 4.956,648 5.122,649 0.767,650 374.25,651 3.258,652 4.812,653 5.687,654 6.586,655 7.48,656 8.386,657 9.288,658 10.197,659 11.103,660 12.014,661 9.7,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,698 2,699 31,700 21,701 2,702 25,703 1,704 34,705 16,706 16,707 5,708 7,710 4,711 7,721 16,734 1,736 9,737 4,738 1,739 6,740 2,743 3,747 0.5,755 1,759 1,760 3,762 2,777 2,779 1,780 1,783 1,785 22,790 1,797 1,800 2,808 10.667,809 5.769,810 4.722,811 1.77,812 4.338,813 1.585,814 1.085,815 3.454,816 11.75,817 3.597,818 4.314,819 5.012,820 5.71,821 6.341,822 6.731,823 7.226,824 7.752,825 8.018,826 8.402,827 0.833,828 36,829 8.107,831 3.551,832 7.792,833 15.336,835 12.862,837 2.292,838 50.417,842 94.169,843 129.699,844 97.536,847 14.96,848 31.278,849 144.376,850 94.169,851 66.542,854 66.334,855 45.342,856 46.279,857 18.78,858 113.675,859 45.954,860 94.169,861 150.004,862 14.96,863 31.278,864 45.954,865 109.129,869 28.773,870 87.659,871 33.571,872 77.232,873 109.129,874 51.582,875 175.654,878 94.169,879 54.747,880 74.952,881 63.965,882 48.531,883 94.169,884 66.542,885 175.654,887 0.587,888 0.35,889 0.199,890 0.112,891 20,892 8,893 0.059,894 2,895 2,896 1.211,897 3.446,898 183.729,899 0.211,900 19,901 98.107,902 1,904 13.891,905 5.471,906 2.471,907 4.031,908 66.542,909 14.448,910 8.637,913 1.597,914 1.376,916 18.011,917 336.364,918 35.5,926 31.658,927 34.257,928 0.367,929 0.69,930 0.859,931 0.987,932 1,933 1,934 4.822,935 1.322,936 5.68,937 3.585,938 4.29,939 5.001,940 0.278,941 6.526,942 4.135,943 6.07,944 1.176,945 7.256,946 3.057,947 3.892,948 4.913,950 7.476,951 3.613,952 7.405,953 0.581,954 8.934,955 2.834,956 5.911,957 7.367,958 0.05,959 10.619,960 5.632,961 8.781,962 0.255,963 10.672,964 1.443,965 6.347,966 8.145,968 12.43,969 5.96,970 10.19,971 -0.315,972 12.45,973 0.615,974 7.84,975 10.059,976 0.008,977 15.089,978 7.445,979 11.626,980 -0.515,981 14.255,982 -0.778,983 8.67,984 11.259,986 17.259,987 8.18,988 13.082,989 -0.701,990 16.08,991 -1.242,992 9.952,993 12.955,994 0.001,995 19.759,996 9.436,997 3.261,998 -0.818,999 17.922,1000 -1.78,1001 10.965,1002 14.356,1004 22.08,1005 10.364,1006 2.872,1007 11.469,1008 19.775,1009 -2.131,1010 12.166,1011 15.966,1013 24.53,1014 11.524,1015 2.518,1016 8.993,1017 21.639,1018 4.842,1019 13.262,1020 17.461,1022 26.915,1023 12.544,1024 2.108,1025 8.155,1026 23.511,1027 3.899,1028 14.435,1029 19.042,1031 29.351,1032 13.666,1033 1.899,1034 6.045,1035 25.39,1036 3.623,1037 15.569,1038 20.579,1040 31.764,1041 14.73,1042 1.591,1043 5.685,1044 27.275,1045 2.852,1046 16.735,1047 22.151,1049 34.198,1050 15.839,1051 1.43,1052 4.283,1053 29.164,1054 2.718,1055 17.888,1056 23.707,1058 36.625,1059 16.924,1060 4704,1061 8910,1062 17.107,1063 25,1064 38.246,1065 38.667,1066 39.034,1067 38.221,1068 38.025,1069 54.14,1070 0.8,1071 112.326,1072 34.766,1073 5.515,1074 5.309,1075 6.542,1076 5.325,1077 5.261,1078 7.842,1079 0.8,1080 18.845,1081 5.06,1082 8.228,1083 1.53,1084 1.547,1085 1.561,1086 1.529,1087 1.521,1088 2.166,1089 0.032,1090 4.493,1091 1.391,1092 4.16,1093 4.172,1094 6.88,1095 4.167,1096 8.201,1097 4.122,1098 3.903,1099 3.927,1100 4.397,1101 3.853,1102 5.093,1103 3.84,1104 3.632,1105 3.679,1106 3.794,1107 3.517,1108 4.697,1109 3.521,1110 3.088,1111 3.144,1112 3.566,1113 3.026,1114 4.631,1115 2.971,1116 3.046,1117 3.085,1118 3.34,1119 2.962,1120 4.1,1121 2.923,1122 2.901,1123 2.957,1124 2.936,1125 2.786,1126 3.969,1127 2.767,1128 2.872,1129 2.93,1130 2.809,1131 2.733,1132 3.742,1133 2.733,1134 2.629,1135 2.673,1136 2.725,1137 2.521,1138 3.599,1139 2.507,1140 0.19,1141 0.132,1142 0.274,1143 0.168,1144 0.13,1145 4.745,1146 0.194,1147 3.309,1148 0.016,1149 6.861,1150 0.459,1151 4.2,1152 0.122,1153 3.261,1154 4.842,1155 0.4,1156 11.469,1157 3.06,1158 1.946,1159 1.924,1160 2.02,1161 2.041,1162 1.152,1163 2.031,1164 1.882,1165 1.863,1166 1.931,1167 1.961,1168 1.066,1169 1.971,1170 1.723,1171 1.708,1172 1.717,1173 1.818,1174 0.889,1175 1.824,1176 1.032,1177 1.003,1178 1.167,1179 1.222,1180 0.288,1181 1.217,1182 0.986,1183 0.949,1184 1.123,1185 1.095,1186 0.237,1187 1.143,1188 0.871,1189 0.82,1190 1.102,1191 1.068,1192 0.164,1193 1.079,1194 0.852,1195 0.802,1196 1.011,1197 0.99,1198 0.09,1199 1.026,1200 0.673,1201 0.62,1202 0.799,1203 0.803,1205 0.853,1206 3.932,1208 5.273,1209 2.398,1210 6.819,1211 4.844,1212 8.459,1213 7.066,1214 10.145,1215 3.253,1218 14.008,1223 3.067,1231 23.767,1232 56.296,1233 105.929,1234 131.929,1235 151.58,1236 153.58,1237 153.58,1238 29.16,1239 7.412,1240 37.81,1241 66.05,1242 23,1243 12.53,1244 4.459,1245 3.524,1246 29.854,1247 67,1248 70,1249 0.222,1250 152.954,1251 245.42,1252 364.967,1253 16131,1254 6.5,1255 15.104,1256 0.687,1257 0.617,1258 15.587,1259 13.58,1260 10.72,1261 0.429,1262 0.327,1263 6.611,1264 9.407,1265 6.375,1266 5.233,1267 11.295,1268 8.175,1269 9.854,1270 0.274,1271 0.187,1272 10.757,1273 6.715,1274 8.575,1275 0.172,1276 0.1,1277 9.568,1278 5.002,1279 7.494,1280 0.109,1281 0.055,1282 8.33,1283 3.765,1284 6.291,1285 0.07,1286 0.03,1287 7.573,1288 2.674,1289 0.338,1290 78.959,1291 0.242,1292 21.324,1293 0.636,1294 122,1295 401.249,1296 222.931,1297 428.393,1298 577.6,1299 400,1300 147,1301 386.993,1302 210.903,1303 417.378,1304 617.63,1305 394,1306 5} {0 CHEMBL2153521,1 1.853,2 8.875,3 4.258,4 18.127,5 91.813,6 9.952,7 0.778,8 3.703,9 3.782,10 3.55,11 3.338,12 5.032,13 3.331,14 4.136,15 4.224,16 3.96,17 3.746,18 5.574,19 3.719,20 4.345,21 4.473,22 4.055,23 3.806,24 5.635,25 3.775,26 4.386,27 4.533,28 3.913,29 3.721,30 5.857,31 3.677,32 4.233,33 4.402,34 3.692,35 3.563,36 5.566,37 3.516,38 4.106,39 4.255,40 3.583,41 3.487,42 5.376,43 3.439,44 4.034,45 4.21,46 3.533,47 3.373,48 5.362,49 3.326,50 3.873,51 3.999,52 3.584,53 3.213,54 5.313,55 3.229,56 0.195,57 0.527,58 3.551,59 2.689,60 11.395,61 2.359,62 0.292,63 0.827,64 5.812,65 4.547,66 42.48,67 4.097,68 0.355,69 1.029,70 12.098,71 5.892,72 29.704,73 5.466,74 0.604,75 1.023,76 15.951,77 6.785,78 85.468,79 6.051,80 0.48,81 0.881,82 13.587,83 5.502,84 50.758,85 5.092,86 0.37,87 0.791,88 10.666,89 4.741,90 44.706,91 3.792,92 0.354,93 0.717,94 10.966,95 4.481,96 38.636,97 4.723,98 0.246,99 0.577,100 8.639,101 3.95,102 23.296,103 3.452,104 11,105 39,106 0.329,107 0.634,108 0.78,109 0.883,110 0.893,111 0.893,112 3.229,113 0.868,114 -4.46,115 -4.38,116 -4.13,119 47.1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,155 2,159 5,161 2,162 2,164 1,166 3,168 7,172 6,174 1,176 4,178 5,182 8,185 4,187 1,190 1,194 6,197 2,198 1,199 2,202 2,205 1,206 4,211 2,213 3,216 2,217 2,220 1,224 5,228 1,229 3,234 1,237 6,241 2,242 4,245 1,247 1,250 2,255 754,256 16.292,257 16.292,258 16.292,259 16.292,260 16.292,261 13.529,262 14.828,263 9.479,264 16.717,265 13.338,266 13.338,267 13.338,268 13.338,269 13.338,270 9.231,271 24.667,272 4.484,273 14.084,274 3.235,275 1.519,276 0.696,277 0.118,278 0.059,279 0.059,280 3.928,284 1,285 468,286 2.828,288 34.87,289 167.102,291 141.844,295 1.313,296 29.248,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53,307 213,308 4.745,309 3.807,310 6.86,311 4.199,312 3.26,313 4.842,314 2.612,315 11.466,316 3.06,317 4.407,318 3.281,319 6.368,320 3.941,321 2.977,322 4.136,323 0.4,324 9.573,325 2.866,326 4.012,327 2.846,328 6.007,329 3.546,330 2.598,331 3.656,333 8.52,334 2.454,335 3.691,336 2.631,337 5.327,338 3.177,339 2.214,340 3.169,342 6.687,343 2.128,344 3.415,345 2.26,346 5.079,347 2.849,348 1.905,349 2.814,351 5.778,352 1.796,353 3.297,354 1.899,355 4.695,356 2.764,357 1.824,358 2.598,360 4.746,361 1.705,362 3.052,363 1.583,364 4.44,365 2.489,366 1.567,367 2.318,369 4.119,370 1.428,371 2.822,372 1.362,373 3.812,374 2.253,375 1.323,376 1.983,378 3.059,379 1.219,380 2.656,381 1.325,382 3.61,383 2.149,384 1.184,385 1.728,386 2.84,387 1.136,388 2.607,389 1.212,390 3.6,391 2,392 1,393 1.596,394 2.424,395 1,396 1.989,397 1,398 3.208,399 1.449,400 0.553,401 0.774,402 1.39,403 0.487,404 1.49,405 0.668,406 2.9,407 1.079,408 0.165,409 0.212,411 0.401,412 0.149,413 1.092,414 0.42,415 2.415,416 0.64,417 -0.277,418 -0.361,420 -0.678,421 -0.251,422 1,423 -0.051,424 2.324,425 0.25,426 -0.7,427 -1.003,429 -1.78,430 -0.637,431 0.799,432 -0.564,433 2.301,434 0.214,435 -0.732,436 -1.051,438 -2,439 -0.687,440 11.433,441 0.476,442 0.627,443 0.026,444 38,445 1.583,446 22,447 0.917,448 16,449 0.667,450 14.574,451 0.607,452 23.967,453 0.705,454 26.163,455 1.09,456 7.362,457 0.307,458 4.269,459 0.178,460 0.087,462 0.385,466 0.603,467 0.931,468 0.646,469 0.678,470 0.633,471 0.672,472 0.539,473 0.952,474 0.761,475 0.866,476 0.433,477 0.852,478 0.761,479 1.267,480 0.965,481 1.156,482 0.638,483 1.014,484 0.923,485 1.044,486 1.238,487 1.107,488 0.813,489 1.072,490 0.941,491 0.948,492 1.15,493 0.928,494 0.94,495 0.992,496 1.174,497 1.021,498 1.334,499 1.035,500 1.082,501 1.107,502 0.638,503 0.901,504 0.934,505 0.956,506 0.598,507 0.977,508 0.965,509 1.076,510 0.755,511 1.291,512 1.12,513 1.019,514 4.5,515 0.084,516 2.889,517 2.139,518 1.324,519 0.511,520 0.494,521 0.327,522 0.219,523 0.252,524 6295,525 22515,526 2.135,527 29.4,529 7,531 1,532 2,536 1.67,537 2,538 3.175,539 0.378,541 1,545 63,546 1.853,547 3.568,548 4.392,549 4.97,550 5.029,551 5.029,552 2.519,553 4.252,554 4.561,555 3.318,556 915.648,557 7.874,558 10527.2,560 1,562 1,563 172.974,564 1.406,565 4.518,566 0.167,567 0.008,568 0.074,569 0.053,570 0.038,571 0.018,572 0.019,573 0.014,574 0.01,575 0.015,576 0.415,577 0.33,578 1,579 0.757,580 112.711,581 0.075,582 0.102,583 0.022,584 0.165,585 -0.073,586 0.084,587 0.124,588 0.068,589 0.026,590 0.051,591 0.169,592 -0.039,593 -0.014,594 -0.249,595 0.044,596 -0.144,597 -0.008,598 -0.081,599 0.066,600 -0.044,601 -0.136,602 -0.058,603 0.147,604 -0.082,605 -0.04,606 0.067,607 -0.125,608 0.056,609 -0.048,610 0.01,611 -0.293,612 0.013,613 -0.338,614 -0.051,615 -0.245,616 -0.169,617 0.17,618 0.086,619 0.083,620 0.024,621 0.13,622 0.069,623 0.064,624 -0.138,625 0.259,626 -0.287,627 -0.041,628 -0.05,629 2.629,630 3.95,631 0.792,632 17.319,633 1.033,634 1.111,635 3.226,636 10.406,637 0.745,638 3.332,639 3.689,640 4.007,641 4.317,642 4.564,643 4.635,644 4.812,645 4.97,646 4.977,647 5.088,648 5.554,649 0.735,650 338.37,651 3.332,652 4.89,653 5.765,654 6.666,655 7.56,656 8.465,657 9.366,658 10.273,659 11.179,660 12.088,661 11.8,669 1,671 2,672 1,674 4,675 8,676 2,679 1,680 4,682 21,692 1,694 1,696 1,699 34,700 23,701 2,702 27,704 37,705 16,706 16,707 5,708 7,710 4,711 7,721 16,724 2,726 1,728 2,733 1,736 10,737 6,738 2,739 8,740 1,743 4,747 0.5,748 3,755 1,759 1,760 3,762 2,777 2,779 1,785 24,788 1,790 1,797 1,801 8.8,803 1,807 2,808 12,809 6.217,810 5.167,811 1.865,812 4.525,813 1.596,814 1.018,815 3.598,816 12.113,817 3.701,818 4.416,819 5.089,820 5.782,821 6.399,822 6.785,823 7.301,824 7.796,825 8.07,826 8.497,827 0.833,828 40,829 8.819,831 3.912,832 8.069,833 16.251,835 13.52,837 2.569,838 61.667,842 94.169,843 120.28,844 57.252,846 93.43,848 31.278,849 89.002,850 187.599,851 57.252,852 5.67,854 66.334,855 88.026,856 36.86,857 3.82,858 113.675,859 50.747,860 94.169,861 146.254,862 93.43,863 31.278,865 94.169,866 42.683,867 50.747,869 28.773,870 78.24,871 39.241,872 31.278,873 94.169,874 150.682,875 120.28,878 94.169,879 45.328,880 80.622,881 18.011,882 127.001,883 94.169,884 150.682,885 120.28,887 0.589,888 0.353,889 0.199,890 0.108,891 21,892 9,893 0.081,894 3,895 2,896 1.211,897 3.588,898 205.712,899 0.211,900 19,901 108.039,902 1,904 14.937,905 5.782,906 2.614,907 3.836,908 145.012,909 13.491,910 8.593,913 1.55,914 0.306,916 60.694,917 365.131,918 39.5,920 -0.629,922 21.901,926 35.116,927 37.787,928 0.364,929 0.701,930 0.863,931 0.977,932 0.988,933 0.988,934 4.929,935 1.323,936 5.765,937 4.119,938 4.369,939 5.103,940 2.527,941 6.619,942 4.261,943 6.184,944 1.184,945 7.349,946 3.059,947 4.007,948 5.075,949 2.361,950 7.594,951 3.843,952 7.525,953 1,954 9.035,955 2.84,956 5.999,957 7.472,958 4.155,959 10.728,960 5.788,961 8.907,962 0.553,963 10.78,964 2.424,965 6.463,966 8.288,967 4.506,968 12.548,969 6.185,970 10.321,971 0.165,972 12.564,973 1.39,974 7.938,975 10.164,976 5.948,977 15.199,978 7.623,979 11.759,980 -0.277,981 14.375,982 0.401,983 8.783,984 11.379,985 6.556,986 17.366,987 8.395,988 13.217,989 -0.7,990 16.205,991 -0.678,992 10.057,993 13.053,994 7.794,995 19.857,996 9.628,997 3.26,998 -0.732,999 18.049,1000 -1.78,1001 11.076,1002 14.456,1003 8.548,1004 22.171,1005 10.575,1006 2.977,1007 11.466,1008 19.905,1009 -2,1010 12.271,1011 16.053,1012 9.67,1013 24.611,1014 11.723,1015 2.598,1016 9.573,1017 21.77,1018 4.842,1019 13.368,1020 17.544,1021 10.509,1022 26.987,1023 12.751,1024 2.214,1025 8.52,1026 23.643,1027 4.136,1028 14.537,1029 19.115,1030 11.563,1031 29.415,1032 13.867,1033 1.905,1034 6.687,1035 25.521,1036 3.656,1037 15.67,1038 20.646,1039 12.452,1040 31.82,1041 14.932,1042 1.824,1043 5.778,1044 27.405,1045 3.169,1046 16.832,1047 22.211,1048 13.468,1049 34.246,1050 16.036,1051 1.567,1052 4.746,1053 29.293,1054 2.814,1055 17.981,1056 23.762,1057 14.386,1058 36.665,1059 17.12,1060 5976,1061 11444,1062 18.205,1063 25.318,1064 41.253,1065 42.752,1066 42.48,1067 41.124,1068 41.139,1069 59.649,1070 6.025,1071 122.008,1072 38.858,1073 5.514,1074 5.807,1075 6.541,1076 5.324,1077 5.26,1078 7.842,1079 4.612,1080 18.836,1081 5.06,1082 10.776,1083 1.528,1084 1.583,1085 1.573,1086 1.523,1087 1.524,1088 2.209,1089 0.223,1090 4.519,1091 1.439,1092 4.162,1093 4.174,1094 4.397,1095 4.167,1096 7.815,1097 4.122,1098 3.979,1099 4,1100 3.959,1101 3.846,1102 6.999,1103 3.861,1104 3.651,1105 3.698,1106 3.602,1107 3.517,1108 6.468,1109 3.524,1110 3.477,1111 3.503,1112 3.45,1113 3.059,1114 5.093,1115 3.149,1116 3.085,1117 3.135,1118 3.338,1119 3.009,1120 4.692,1121 2.953,1122 3.047,1123 3.085,1124 3.007,1125 2.872,1126 4.58,1127 2.886,1128 2.885,1129 2.937,1130 2.799,1131 2.749,1132 4.018,1133 2.75,1134 2.673,1135 2.734,1136 2.566,1137 2.497,1138 3.963,1139 2.504,1140 0.176,1141 0.141,1142 0.254,1143 0.156,1144 0.121,1145 4.745,1146 0.179,1147 3.807,1148 0.097,1149 6.86,1150 0.425,1151 4.199,1152 0.113,1153 3.26,1154 4.842,1155 2.612,1156 11.466,1157 3.06,1158 1.948,1159 1.926,1160 2.023,1161 2.095,1162 1.152,1163 2.056,1164 1.907,1165 1.887,1166 1.98,1167 2.015,1168 1.08,1169 2.008,1170 1.731,1171 1.716,1172 1.724,1173 1.858,1174 0.89,1175 1.849,1176 1.204,1177 1.173,1178 1.283,1179 1.648,1180 0.287,1181 1.549,1182 1.023,1183 0.999,1184 1.185,1185 1.26,1186 0.226,1187 1.232,1188 0.979,1189 0.935,1190 1.139,1191 1.095,1192 0.213,1193 1.143,1194 0.873,1195 0.824,1196 1.029,1197 1.026,1198 0.101,1199 1.053,1200 0.683,1201 0.626,1202 0.891,1203 0.901,1205 0.899,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1221 9.545,1223 3.074,1231 24.998,1232 63,1233 121.322,1234 149.322,1235 168.974,1236 170.974,1237 170.974,1238 39.062,1239 7.588,1240 103.86,1241 132.1,1242 23,1243 12.604,1244 4.585,1245 3.755,1246 33.833,1247 80,1248 66,1249 0.21,1250 155.697,1251 254.8,1252 371.661,1253 20179,1255 16.681,1256 0.695,1257 0.54,1258 17.035,1259 12.949,1260 11.631,1261 0.431,1262 0.289,1263 6.963,1264 10.686,1265 6.792,1266 5.599,1267 12.039,1268 7.816,1269 10.763,1270 0.276,1271 0.157,1272 11.378,1273 6.136,1274 9.22,1275 0.171,1276 0.088,1277 10.079,1278 4.76,1279 8.046,1280 0.109,1281 0.049,1282 9.023,1283 3.598,1284 6.703,1285 0.071,1286 0.027,1287 7.652,1288 2.527,1289 0.323,1290 77.661,1291 0.234,1292 23.074,1293 0.592,1294 132,1295 451.749,1296 171.509,1297 458.677,1298 621.12,1299 424,1300 159,1301 450.321,1302 198.918,1303 466.465,1304 683.03,1305 438,1306 5} {0 CHEMBL2153522,1 1.579,2 7.85,3 3.539,4 12.527,5 80.59,6 9.279,7 0.913,8 3.555,9 3.653,10 3.385,11 3.257,12 4.737,13 3.219,14 4.003,15 4.124,16 3.782,17 3.636,18 5.16,19 3.577,20 4.163,21 4.334,22 3.826,23 3.656,24 5.233,25 3.581,26 4.096,27 4.285,28 3.608,29 3.553,30 5.142,31 3.448,32 3.952,33 4.137,34 3.449,35 3.412,36 5.043,37 3.323,38 3.873,39 4.045,40 3.367,41 3.362,42 4.969,43 3.269,44 3.807,45 4.014,46 3.037,47 3.208,48 4.796,49 3.079,50 3.542,51 3.766,52 2.656,53 2.897,54 4.524,55 2.782,56 0.019,57 0.455,58 3.933,59 2.261,60 4.327,61 2.422,62 0.1,63 0.757,64 7.476,65 3.737,66 9.846,67 3.969,68 0.111,69 0.896,70 12.122,71 4.951,72 11.316,73 5.423,74 0.15,75 0.844,76 14.287,77 5.476,78 13.625,79 5.702,80 0.136,81 0.724,82 11.109,83 4.387,84 13.164,85 4.663,86 0.095,87 0.66,88 9.8,89 3.9,90 11.703,91 3.848,92 0.101,93 0.593,94 10.22,95 3.982,96 11.662,97 4.303,98 0.069,99 0.434,100 7.479,101 3.008,102 9.379,103 3.605,105 32,106 0.29,107 0.577,108 0.74,109 0.836,110 0.853,111 0.853,112 3.059,113 0.918,114 -3.89,115 -3.85,116 -3.65,119 50,133 7,134 1,135 1,136 1,137 1,138 1,139 1,143 1,150 1,159 6,161 1,162 4,164 1,166 2,168 6,172 4,176 3,178 3,181 1,182 4,185 1,187 2,190 1,193 1,194 3,197 1,199 1,202 2,206 4,211 1,213 4,217 4,224 5,229 3,237 5,242 1,250 3,255 444,256 14.137,257 14.137,258 14.137,259 14.137,260 14.137,261 11.704,262 9.487,263 8.546,264 14.543,265 11.42,266 11.42,267 11.42,268 11.42,269 11.42,270 7.859,271 17.5,272 4.099,273 12.129,274 3.327,275 1.765,276 0.88,277 0.358,278 0.267,279 0.267,280 3.767,283 1,284 1,285 355,286 2,288 25.997,289 126.434,291 106.717,295 1.18,296 10.093,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 42,307 157,308 4.744,309 3.281,310 6.86,311 4.193,312 3.259,313 4.842,314 0.4,315 11.466,316 3.044,317 4.05,318 2.785,319 6.012,320 3.614,321 2.663,322 3.681,324 8.559,325 2.533,326 3.818,327 2.398,328 5.377,329 3.324,330 2.361,331 3.402,333 6.921,334 2.264,335 3.385,336 1.933,337 5.1,338 2.822,339 1.909,340 2.803,342 5.823,343 1.739,344 3.073,345 1.618,346 4.452,347 2.511,348 1.595,349 2.345,351 4.179,352 1.443,353 2.89,354 1.468,355 3.812,356 2.409,357 1.435,358 2.06,360 3.088,361 1.391,362 2.82,363 1.322,364 3.613,365 2.246,366 1.321,367 1.979,369 3.019,370 1.212,371 2.64,372 1.184,373 3.582,374 2.108,375 1.163,376 1.706,378 2.803,379 1.093,380 2.5,381 1,382 3.247,383 2,384 1,385 1.5,386 2.136,387 1,388 1.977,389 0.574,390 3.154,391 1.402,392 0.525,393 0.749,394 1.316,395 0.453,396 1.314,397 0.07,398 2.765,399 0.887,400 -0.032,401 -0.042,402 -0.082,403 -0.03,404 0.854,405 -0.505,406 2.413,407 0.359,408 -0.578,409 -0.798,411 -1.356,412 -0.532,413 0.799,414 -0.701,415 2.214,416 0.224,417 -0.701,418 -1.051,420 -1.78,421 -0.636,422 0.577,423 -0.884,424 2,425 0.042,426 -0.903,427 -1.322,429 -2.235,430 -0.85,431 0.5,432 -1,433 1.943,435 -1,436 -1.5,438 -2.347,439 -1,440 9.933,441 0.497,442 0.342,443 0.017,444 32,445 1.6,446 18.5,447 0.925,448 13.5,449 0.675,450 11.446,451 0.572,452 18.867,453 0.629,454 18.448,455 0.922,456 6.168,457 0.308,458 3.748,459 0.187,462 0.302,466 0.915,467 1.075,468 0.655,469 0.761,470 0.82,471 0.715,472 0.847,473 0.999,474 0.82,475 0.893,476 0.929,477 0.858,478 0.994,479 1.253,480 0.841,481 1.032,482 0.957,483 0.92,484 1.056,485 1.013,486 1.253,487 1.119,488 0.867,489 0.979,490 1.057,491 0.95,492 1.12,493 1.016,494 0.915,495 0.962,496 1.411,497 1.072,498 1.266,499 1.093,500 1.267,501 1.046,502 1.239,503 0.929,504 1.283,505 1.12,506 1.217,507 1.17,508 0.993,509 0.89,510 0.979,511 0.978,512 1.082,513 1.11,514 2.5,515 0.005,516 1.778,517 1.389,518 0.862,519 0.274,520 0.292,521 0.155,522 0.028,523 0.021,524 3979,525 10779,526 2.259,527 33.3,529 7,531 2,532 1,536 1.62,537 2.222,538 3.002,539 -0.271,541 1,543 1,545 47.384,546 1.579,547 3.142,548 4.027,549 4.548,550 4.64,551 4.64,552 2.466,553 3.409,554 4.295,555 3.095,556 587.992,557 7.346,558 5817.94,559 1,560 1,561 1,562 1,563 147.207,564 0.881,565 4.295,566 0.109,567 0.002,568 0.056,569 0.045,570 0.033,571 0.012,572 0.014,573 0.01,574 0.003,575 0.003,576 0.287,577 0.67,578 1,580 87.064,581 -0.085,582 -0.105,583 0.053,584 0.031,585 -0.085,586 0.032,587 0.118,588 0.013,589 0.031,590 -0.019,591 -0.068,592 -0.068,593 0.052,594 -0.252,595 0.168,596 -0.057,597 -0.022,598 0.001,599 0.042,600 0.015,601 -0.084,602 -0.036,603 0.111,604 -0.001,605 0.039,606 0.07,607 -0.094,608 -0.026,609 0.149,610 -0.02,611 -0.329,612 -0.045,613 -0.242,614 -0.106,615 -0.226,616 -0.137,617 -0.289,618 0.026,619 -0.267,620 -0.114,621 -0.212,622 -0.154,623 -0.138,624 -0.001,625 -0.125,626 -0.06,627 -0.05,628 -0.054,629 0.843,630 1.391,631 0.95,632 13.22,633 1.004,634 1.105,635 2.661,636 7.082,637 0.765,638 3.178,639 3.497,640 3.829,641 4.159,642 4.419,643 4.477,644 4.644,645 4.804,646 4.754,647 4.779,648 4.758,649 0.728,650 278.36,651 3.178,652 4.71,653 5.58,654 6.469,655 7.361,656 8.262,657 9.163,658 10.07,659 10.976,660 11.886,661 13.3,669 1,671 3,674 4,675 9,676 3,679 1,680 2,682 21,692 1,699 30,700 21,701 1,702 23,704 33,705 15,706 15,707 1,708 5,710 4,711 7,721 15,732 1,733 1,736 10,737 4,738 1,739 5,740 1,743 4,747 0.5,754 1,755 1,759 1,760 3,762 2,777 2,779 1,785 20,790 1,797 1,808 9,809 5.517,810 4.361,811 1.725,812 4.258,813 1.591,814 1.086,815 2.731,816 11.46,817 3.541,818 4.23,819 4.94,820 5.651,821 6.284,822 6.667,823 7.19,824 7.709,825 7.945,826 8.31,827 1,828 31,829 7.325,831 3.14,832 7.567,833 14.115,835 11.734,837 2.067,838 41.333,839 0.001,842 105.94,843 126.142,844 68.367,848 31.278,849 94.864,850 105.94,851 68.367,854 66.334,855 74.216,856 43.151,857 3.074,858 113.675,860 105.94,861 163.232,863 31.278,865 105.94,869 38.138,870 74.737,871 50.357,872 31.278,873 105.94,874 68.367,875 126.142,878 105.94,879 42.142,880 84,881 18.011,882 50.357,883 105.94,884 68.367,885 126.142,887 0.573,888 0.342,889 0.202,890 0.114,891 18,892 6,893 0.061,894 2,895 2,896 1.211,897 3.352,898 160.363,899 0.211,900 19,901 82.439,902 1,904 11.593,905 4.711,906 2.011,907 4.043,908 68.367,909 17.368,910 13.138,913 1.609,914 1.835,916 18.011,917 300.449,918 33.5,926 30.134,927 33.159,928 0.322,929 0.64,930 0.821,931 0.927,932 0.946,933 0.946,934 4.738,935 1.163,936 5.541,937 3.019,938 4.174,939 4.916,940 0.278,941 6.368,942 4.053,943 5.963,944 1,945 7.094,946 2.803,947 3.611,948 4.691,950 7.286,951 3.422,952 7.28,953 0.525,954 8.756,955 2.136,956 5.759,957 7.265,958 0.05,959 10.458,960 5.519,961 8.642,962 -0.032,963 10.486,964 1.316,965 6.111,966 7.986,968 12.292,969 5.787,970 10.043,971 -0.578,972 12.262,973 -0.082,974 7.672,975 9.959,976 0.008,977 14.962,978 7.307,979 11.474,980 -0.701,981 14.07,982 -1.356,983 8.468,984 11.143,986 17.159,987 8.012,988 12.93,989 -0.903,990 15.901,991 -1.78,992 9.784,993 12.868,994 0.001,995 19.669,996 9.282,997 3.259,998 -1,999 17.75,1000 -2.235,1001 10.79,1002 14.272,1004 22.01,1005 10.199,1006 2.663,1007 11.466,1008 19.612,1009 -2.347,1010 12.01,1011 15.898,1013 24.469,1014 11.364,1015 2.361,1016 8.559,1017 21.486,1018 4.842,1019 13.109,1020 17.4,1022 26.867,1023 12.38,1024 1.909,1025 6.921,1026 23.367,1027 3.681,1028 14.296,1029 18.991,1031 29.311,1032 13.505,1033 1.595,1034 5.823,1035 25.256,1036 3.402,1037 15.438,1038 20.536,1040 31.732,1041 14.569,1042 1.435,1043 4.179,1044 27.15,1045 2.803,1046 16.614,1047 22.115,1049 34.171,1050 15.68,1051 1.321,1052 3.088,1053 29.049,1054 2.345,1055 17.776,1056 23.677,1058 36.602,1059 16.766,1060 3687,1061 6203,1062 16.296,1063 22.955,1064 34.666,1065 34.502,1066 34.767,1067 34.476,1068 34.463,1069 50.134,1070 0.8,1071 98.62,1072 32.345,1073 5.501,1074 5.281,1075 6.662,1076 5.323,1077 5.259,1078 7.842,1079 0.8,1080 18.835,1081 5.044,1083 1.507,1084 1.5,1085 1.512,1086 1.499,1087 1.498,1088 2.18,1089 0.035,1090 4.288,1091 1.406,1092 4.148,1093 4.165,1094 4.392,1095 4.134,1096 5.124,1097 4.094,1098 3.885,1099 3.92,1100 3.823,1101 3.817,1102 4.809,1103 3.812,1104 3.61,1105 3.664,1106 3.559,1107 3.466,1108 4.73,1109 3.477,1110 3.078,1111 3.144,1112 3.341,1113 3.011,1114 4.101,1115 2.958,1116 3.037,1117 3.083,1118 2.98,1119 2.861,1120 3.974,1121 2.867,1122 2.854,1123 2.925,1124 2.738,1125 2.735,1126 3.829,1127 2.715,1128 2.786,1129 2.85,1130 2.687,1131 2.653,1132 3.674,1133 2.643,1134 2.579,1135 2.65,1136 2.478,1137 2.413,1138 3.574,1139 2.422,1140 0.206,1141 0.143,1142 0.298,1143 0.182,1144 0.142,1145 4.744,1146 0.211,1147 3.281,1148 0.017,1149 6.86,1150 0.499,1151 4.193,1152 0.132,1153 3.259,1154 4.842,1155 0.4,1156 11.466,1157 3.044,1158 1.921,1159 1.89,1160 2.019,1161 2.041,1162 1.089,1163 2.031,1164 1.872,1165 1.844,1166 1.957,1167 1.966,1168 1.047,1169 1.972,1170 1.699,1171 1.681,1172 1.699,1173 1.815,1174 0.844,1175 1.817,1176 1.035,1177 1.002,1178 1.205,1179 1.249,1180 0.291,1181 1.242,1182 0.945,1183 0.905,1184 1.181,1185 1.062,1186 0.219,1187 1.107,1188 0.886,1189 0.821,1190 1.06,1191 1.039,1192 0.218,1193 1.077,1194 0.848,1195 0.787,1196 0.93,1197 0.994,1198 0.052,1199 1.039,1200 0.565,1201 0.492,1202 0.834,1203 0.788,1205 0.812,1206 3.85,1208 5.165,1209 2.398,1210 6.696,1211 4.844,1212 8.323,1213 7.066,1214 10,1223 3.339,1231 21.853,1232 47.384,1233 94.271,1234 120.8,1235 136.452,1236 139.207,1237 139.207,1238 18.276,1239 7.202,1240 50.7,1241 78.94,1242 23,1243 12.402,1244 4.459,1245 3.524,1246 26.111,1247 57,1248 56,1249 0.231,1250 137.044,1251 213.77,1252 326.146,1253 12411,1255 13.364,1256 0.668,1257 0.563,1258 13.717,1259 11.263,1260 9.916,1261 0.431,1262 0.306,1263 6.226,1264 9.23,1265 6.038,1266 5.005,1267 10.324,1268 7.036,1269 8.703,1270 0.272,1271 0.167,1272 9.318,1273 5.348,1274 7.721,1275 0.172,1276 0.093,1277 8.58,1278 4.175,1279 6.878,1280 0.109,1281 0.051,1282 7.855,1283 3.2,1284 5.861,1285 0.071,1286 0.027,1287 6.81,1288 2.22,1289 0.35,1290 65.348,1291 0.248,1292 19.617,1293 0.673,1294 110,1295 300.129,1296 143.506,1297 321.495,1298 456.7,1299 304,1300 132,1301 335.391,1302 165.715,1303 358.838,1304 530.34,1305 339,1306 5} {0 CHEMBL2153523,1 1.705,2 9.364,3 3.523,4 12.412,5 87.053,6 9.07,7 0.84,8 3.677,9 3.771,10 3.477,11 3.319,12 4.864,13 3.295,14 4.142,15 4.271,16 3.866,17 3.69,18 5.294,19 3.649,20 4.257,21 4.405,22 3.929,23 3.739,24 5.367,25 3.685,26 4.259,27 4.434,28 3.714,29 3.691,30 5.315,31 3.59,32 4.194,33 4.407,34 3.545,35 3.564,36 5.224,37 3.454,38 4.063,39 4.26,40 3.46,41 3.452,42 5.106,43 3.361,44 3.933,45 4.131,46 3.216,47 3.294,48 4.968,49 3.194,50 3.77,51 3.98,52 3.114,53 3.073,54 4.794,55 3.013,56 0.039,57 0.52,58 4.887,59 2.805,60 5.144,61 2.95,62 0.198,63 0.848,64 10.563,65 4.729,66 15.369,67 4.792,68 0.176,69 0.966,70 13.044,71 5.315,72 13.465,73 5.624,74 0.213,75 0.956,76 15.836,77 6.301,78 16.895,79 6.601,80 0.223,81 0.88,82 15.404,83 6.006,84 18.587,85 7.166,86 0.166,87 0.773,88 13.315,89 5.002,90 15.654,91 5.389,92 0.19,93 0.667,94 11.394,95 4.242,96 14.907,97 4.625,98 0.123,99 0.525,100 9.336,101 3.642,102 11.46,103 4.318,104 3,105 35,106 0.306,107 0.655,108 0.785,109 0.846,110 0.846,111 0.846,112 3.147,113 0.907,114 -3.62,115 -3.59,116 -3.42,119 47.1,123 1,133 6,134 1,135 2,136 1,137 1,138 1,139 1,143 1,150 1,159 4,161 1,162 6,164 1,166 2,168 4,172 6,176 3,178 3,181 1,182 4,185 1,187 1,190 1,193 1,194 3,197 2,199 1,202 2,206 3,211 1,213 4,216 1,217 4,224 4,229 3,237 4,241 1,242 1,250 2,255 618,256 15.455,257 15.455,258 15.455,259 15.455,260 15.455,261 13.05,262 13.8,263 9.131,264 16.039,265 12.313,266 12.313,267 12.313,268 12.313,269 12.313,270 8.686,271 22.151,272 4.274,273 13.214,274 3.383,275 1.442,276 0.714,277 0.375,278 0.375,279 0.375,280 3.853,283 1,284 1,285 461,286 2.345,288 31.051,289 148.546,291 126.796,295 1.397,296 13.403,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47,307 206,308 4.744,309 3.282,310 6.86,311 4.194,312 3.26,313 4.842,314 0.86,315 11.466,316 3.044,317 4.091,318 2.896,319 6.013,320 3.664,321 2.708,322 3.714,323 0.4,324 8.565,325 2.588,326 3.933,327 2.697,328 5.482,329 3.443,330 2.5,331 3.566,333 7.271,334 2.35,335 3.494,336 2.314,337 5.213,338 3.074,339 2.139,340 2.861,342 6.362,343 1.992,344 3.335,345 1.909,346 5.032,347 2.781,348 1.873,349 2.683,351 5.744,352 1.695,353 3.054,354 1.587,355 4.438,356 2.484,357 1.569,358 2.321,360 4.122,361 1.417,362 2.822,363 1.327,364 3.812,365 2.247,366 1.324,367 1.983,369 3.059,370 1.212,371 2.657,372 1.242,373 3.601,374 2.129,375 1.188,376 1.73,378 2.84,379 1.111,380 2.5,381 1.096,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 1.997,389 1,390 3.208,391 1.517,392 0.639,393 0.809,394 1.428,395 0.555,396 1.725,397 0.588,398 2.925,399 1.333,400 0.471,401 0.592,402 0.868,403 0.4,404 1.271,405 0.168,406 2.594,407 0.876,408 -0.028,409 -0.036,411 -0.062,412 -0.025,413 0.876,414 -0.288,415 2.412,416 0.417,417 -0.502,418 -0.66,420 -1.078,421 -0.454,422 0.799,423 -0.701,424 2.211,425 0.226,426 -0.701,427 -1.051,429 -1.78,430 -0.634,431 0.59,432 -0.743,433 2,434 0.06,435 -0.869,436 -1.221,438 -2.177,439 -0.8,440 10.767,441 0.489,442 0.41,443 0.019,444 34,445 1.545,446 19,447 0.864,448 15,449 0.682,450 13.567,451 0.617,452 21.633,453 0.636,454 20.961,455 0.953,456 6.653,457 0.302,458 4.195,459 0.191,460 0.046,462 0.325,466 0.911,467 1.158,468 0.663,469 0.85,470 0.832,471 0.776,472 1.2,473 0.916,474 0.807,475 0.777,476 1.047,477 0.732,478 1.089,479 1.272,480 0.874,481 1.026,482 0.975,483 0.917,484 0.986,485 1.072,486 1.273,487 1.16,488 0.985,489 1.094,490 0.526,491 0.941,492 0.992,493 0.999,494 0.686,495 0.999,496 1.075,497 1.046,498 1.134,499 0.999,500 1.08,501 0.962,502 1.017,503 0.912,504 1.232,505 1.05,506 1.06,507 1.096,508 0.961,509 0.925,510 0.66,511 0.896,512 0.947,513 0.909,514 3.5,515 0.07,516 2.222,517 1.451,518 1.093,519 0.393,520 0.372,521 0.242,522 0.084,523 0.111,524 5221,525 14977,526 2.205,527 35.3,529 9,531 2,532 1,536 1.644,537 2.129,538 3.202,539 -0.265,541 1,543 1,545 57.954,546 1.705,547 3.646,548 4.374,549 4.712,550 4.712,551 4.712,552 2.681,553 4.152,554 4.429,555 3.315,556 765.858,557 7.604,558 8205.19,559 1,560 1,561 1,562 1,563 172.974,564 1.143,565 4.418,566 0.14,567 0.01,568 0.063,569 0.041,570 0.038,571 0.016,572 0.016,573 0.013,574 0.005,575 0.009,576 0.352,577 0.5,578 1,579 0.608,580 100.438,581 -0.077,582 -0.149,583 0.06,584 -0.007,585 -0.08,586 0.012,587 -0.08,588 0.113,589 0.086,590 0.151,591 -0.077,592 0.109,593 -0.09,594 -0.245,595 0.095,596 -0.062,597 -0.064,598 -0.035,599 -0.081,600 -0.051,601 -0.184,602 -0.115,603 -0.096,604 -0.143,605 0.205,606 0.036,607 0.024,608 -0.002,609 0.218,610 0.023,611 -0.182,612 -0.031,613 -0.095,614 0.004,615 -0.113,616 0.011,617 -0.09,618 0.098,619 -0.25,620 -0.085,621 -0.11,622 -0.135,623 0.05,624 -0.026,625 0.185,626 -0.006,627 0.109,628 0.104,629 0.877,630 1.67,631 0.864,632 16.471,633 1.01,634 1.111,635 2.391,636 5.716,637 0.74,638 3.258,639 3.584,640 3.912,641 4.22,642 4.489,643 4.564,644 4.718,645 4.883,646 4.868,647 4.934,648 5.404,649 0.709,650 308.39,651 3.258,652 4.796,653 5.666,654 6.555,655 7.446,656 8.345,657 9.244,658 10.147,659 11.051,660 11.958,661 11.8,669 1,671 3,674 4,675 8,676 3,679 1,680 3,682 21,692 1,697 1,699 34,700 21,701 1,702 25,704 37,705 16,706 15,707 2,708 4,710 4,711 7,721 15,722 1,732 1,733 1,736 12,737 5,738 1,739 6,740 1,743 4,747 0.5,748 1,754 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,785 22,790 1,791 1,797 1,801 2.9,806 1,808 10.333,809 6.6,810 4.861,811 1.878,812 4.301,813 1.58,814 1.052,815 3.353,816 11.712,817 3.597,818 4.287,819 4.992,820 5.69,821 6.327,822 6.715,823 7.221,824 7.738,825 7.992,826 8.38,827 1,828 35,829 8.051,831 3.412,832 7.614,833 15.424,835 12.621,837 2.114,838 46.5,842 129.482,843 132.792,844 68.367,846 11,848 31.278,849 101.515,850 140.482,851 68.367,852 10.883,854 56.857,855 74.216,856 59.394,857 3.074,858 137.218,860 129.482,861 169.882,862 11,863 31.278,865 129.482,866 11,869 38.138,870 81.387,871 50.357,872 31.278,873 129.482,874 79.367,875 132.792,878 129.482,879 47.386,880 85.407,881 18.011,882 61.356,883 129.482,884 79.367,885 132.792,887 0.575,888 0.349,889 0.196,890 0.111,891 19,892 7,893 0.081,894 3,895 2,896 1.211,897 3.517,898 180.517,899 0.211,900 19,901 94.107,902 1,904 13.406,905 5.502,906 2.412,907 3.963,908 79.367,909 15.06,910 13.163,913 1.592,914 2.564,916 18.011,917 341.642,918 35.5,926 34.345,927 37.783,928 0.335,929 0.717,930 0.86,931 0.926,932 0.926,933 0.926,934 4.806,935 1.188,936 5.638,937 3.059,938 4.263,939 4.973,940 1.029,941 6.466,942 4.128,943 6.035,944 1,945 7.198,946 2.84,947 3.761,948 4.808,950 7.391,951 3.568,952 7.358,953 0.639,954 8.861,955 2.275,956 5.861,957 7.324,958 0.763,959 10.529,960 5.606,961 8.724,962 0.471,963 10.586,964 1.428,965 6.236,966 8.065,968 12.343,969 5.908,970 10.127,971 -0.028,972 12.354,973 0.868,974 7.765,975 10.008,976 0.597,977 14.998,978 7.391,979 11.556,980 -0.502,981 14.152,982 -0.062,983 8.561,984 11.193,986 17.181,987 8.104,988 13.008,989 -0.701,990 15.973,991 -1.078,992 9.859,993 12.903,994 0.47,995 19.685,996 9.354,997 3.26,998 -0.869,999 17.811,1000 -1.78,1001 10.857,1002 14.303,1004 22.019,1005 10.269,1006 2.708,1007 11.466,1008 19.664,1009 -2.177,1010 12.066,1011 15.922,1012 0.367,1013 24.476,1014 11.423,1015 2.5,1016 8.565,1017 21.528,1018 4.842,1019 13.158,1020 17.42,1022 26.871,1023 12.434,1024 2.139,1025 7.271,1026 23.403,1027 3.714,1028 14.337,1029 19.007,1030 0.283,1031 29.314,1032 13.552,1033 1.873,1034 6.362,1035 25.285,1036 3.566,1037 15.473,1038 20.548,1040 31.734,1041 14.611,1042 1.569,1043 5.744,1044 27.174,1045 2.861,1046 16.644,1047 22.125,1048 0.217,1049 34.172,1050 15.717,1051 1.324,1052 4.122,1053 29.069,1054 2.683,1055 17.801,1056 23.685,1058 36.603,1059 16.799,1060 4901,1061 8435,1062 17.394,1063 25.171,1064 37.465,1065 37.794,1066 38.397,1067 37.317,1068 37.339,1069 53.201,1070 2.52,1071 107.998,1072 34.729,1073 5.51,1074 5.282,1075 6.541,1076 5.324,1077 5.26,1078 7.842,1079 1.72,1080 18.835,1081 5.044,1082 6.2,1083 1.499,1084 1.512,1085 1.536,1086 1.493,1087 1.494,1088 2.128,1089 0.101,1090 4.32,1091 1.389,1092 4.149,1093 4.165,1094 4.392,1095 4.134,1096 5.125,1097 4.094,1098 3.899,1099 3.925,1100 3.849,1101 3.819,1102 4.873,1103 3.82,1104 3.614,1105 3.667,1106 3.564,1107 3.467,1108 4.773,1109 3.479,1110 3.268,1111 3.331,1112 3.343,1113 3.024,1114 4.411,1115 3.02,1116 3.059,1117 3.098,1118 3.127,1119 2.975,1120 4.036,1121 2.94,1122 2.979,1123 3.06,1124 2.871,1125 2.775,1126 3.961,1127 2.775,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.802,1133 2.715,1134 2.768,1135 2.837,1136 2.683,1137 2.61,1138 3.674,1139 2.6,1140 0.19,1141 0.131,1142 0.274,1143 0.168,1144 0.13,1145 4.744,1146 0.194,1147 3.282,1148 0.034,1149 6.86,1150 0.459,1151 4.194,1152 0.122,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.044,1158 1.919,1159 1.891,1160 2,1161 2.043,1162 1.09,1163 2.028,1164 1.869,1165 1.845,1166 1.953,1167 1.97,1168 1.048,1169 1.971,1170 1.699,1171 1.682,1172 1.698,1173 1.82,1174 0.843,1175 1.818,1176 1.202,1177 1.133,1178 1.567,1179 1.517,1180 0.574,1181 1.532,1182 1.017,1183 0.996,1184 1.181,1185 1.196,1186 0.287,1187 1.196,1188 0.894,1189 0.839,1190 1.142,1191 1.062,1192 0.218,1193 1.107,1194 0.886,1195 0.821,1196 1.048,1197 1.039,1198 0.147,1199 1.068,1200 0.823,1201 0.755,1202 0.897,1203 0.976,1204 0.05,1205 1.022,1206 3.932,1208 5.252,1209 2.398,1210 6.786,1211 4.844,1212 8.412,1213 7.066,1214 10.087,1216 1.653,1223 3.335,1224 5.17,1231 24.095,1232 57.954,1233 123.954,1234 148.709,1235 160.219,1236 160.219,1237 160.219,1238 21.862,1239 7.412,1240 59.93,1241 88.17,1242 23,1243 12.476,1244 4.459,1245 3.524,1246 29.957,1247 70,1248 84,1249 0.211,1250 150.632,1251 239.86,1252 359.302,1253 16277,1255 14.941,1256 0.679,1257 0.572,1258 15.295,1259 12.593,1260 10.848,1261 0.434,1262 0.302,1263 6.708,1264 10.004,1265 6.474,1266 5.38,1267 11.256,1268 7.559,1269 9.493,1270 0.271,1271 0.163,1272 10.109,1273 5.711,1274 8.54,1275 0.174,1276 0.092,1277 9.399,1278 4.491,1279 7.331,1280 0.109,1281 0.05,1282 8.307,1283 3.353,1284 6.25,1285 0.071,1286 0.026,1287 7.199,1288 2.321,1289 0.326,1290 72.054,1291 0.24,1292 21.547,1293 0.592,1294 120,1295 355.864,1296 156.385,1297 367.796,1298 517.05,1299 348,1300 144,1301 375.936,1302 180.373,1303 399.376,1304 587.84,1305 375,1306 5} {0 CHEMBL2153524,1 1.753,2 9.458,3 3.507,4 12.296,5 93.516,6 8.906,7 0.778,8 3.786,9 3.877,10 3.561,11 3.378,12 4.978,13 3.365,14 4.264,15 4.399,16 3.944,17 3.741,18 5.404,19 3.716,20 4.345,21 4.472,22 4.049,23 3.815,24 5.499,25 3.784,26 4.41,27 4.563,28 3.891,29 3.816,30 5.51,31 3.741,32 4.439,33 4.63,34 3.702,35 3.732,36 5.481,37 3.639,38 4.334,39 4.545,40 3.604,41 3.638,42 5.35,43 3.536,44 4.256,45 4.5,46 3.505,47 3.471,48 5.217,49 3.382,50 3.991,51 4.17,52 3.459,53 3.308,54 5.091,55 3.269,56 0.064,57 0.58,58 5.843,59 3.31,60 6.021,61 3.457,62 0.308,63 0.926,64 13.472,65 5.524,66 20.63,67 5.528,68 0.303,69 1.036,70 14.035,71 5.719,72 16.289,73 6.079,74 0.308,75 1.072,76 17.519,77 7.17,78 19.802,79 7.518,80 0.427,81 1.05,82 19.221,83 7.299,84 28.969,85 7.989,86 0.286,87 0.976,88 17.523,89 6.507,90 22.508,91 7.588,92 0.311,93 0.855,94 18.581,95 6.243,96 23.379,97 7.627,98 0.234,99 0.652,100 11.313,101 4.313,102 16.467,103 4.754,104 9,105 38,106 0.308,107 0.657,108 0.77,109 0.833,110 0.842,111 0.851,112 3.229,113 0.899,114 -3.36,115 -3.34,116 -3.2,119 44.7,123 2,133 5,134 1,135 3,136 1,137 1,138 1,139 1,143 1,150 1,159 3,161 1,162 6,164 1,166 2,168 3,171 1,172 7,176 2,178 2,181 1,182 5,185 2,187 1,190 1,193 1,194 2,197 2,199 1,202 2,205 1,206 3,211 1,213 3,216 1,217 4,224 3,228 1,229 3,237 3,241 2,242 2,250 1,255 764,256 16.826,257 16.826,258 16.826,259 16.826,260 16.826,261 14.419,262 16.719,263 9.84,264 17.575,265 13.229,266 13.229,267 13.229,268 13.229,269 13.229,270 9.503,271 27.145,272 4.487,273 14.298,274 3.494,275 1.514,276 0.872,277 0.513,278 0.461,279 0.408,280 3.932,283 1,284 1,285 501,286 2.646,288 35.276,289 168.263,291 143.492,295 1.375,296 17.316,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52,307 227,308 4.744,309 3.288,310 6.86,311 4.194,312 3.26,313 4.842,314 0.86,315 11.466,316 3.045,317 4.271,318 3.194,319 6.171,320 3.852,321 2.904,322 3.919,323 0.86,324 9.156,325 2.748,326 3.994,327 2.729,328 6.002,329 3.52,330 2.584,331 3.641,332 0.4,333 8.497,334 2.412,335 3.548,336 2.316,337 5.319,338 3.124,339 2.179,340 2.914,342 6.669,343 2.05,344 3.345,345 2.168,346 5.076,347 2.783,348 1.874,349 2.724,351 5.777,352 1.697,353 3.054,354 1.902,355 4.453,356 2.521,357 1.61,358 2.321,360 4.192,361 1.461,362 2.919,363 1.584,364 4.352,365 2.484,366 1.568,367 2.057,369 4.054,370 1.417,371 2.822,372 1.326,373 3.812,374 2.246,375 1.324,376 1.983,378 3.059,379 1.212,380 2.657,381 1.231,382 3.601,383 2.129,384 1.187,385 1.729,386 2.84,387 1.111,388 2.014,389 1.079,390 3.225,391 1.628,392 0.732,393 0.883,394 1.5,395 0.649,396 1.895,397 0.935,398 3.045,399 1.395,400 0.522,401 0.716,402 1.164,403 0.448,404 1.487,405 0.588,406 2.846,407 1.202,408 0.353,409 0.389,411 0.495,412 0.297,413 1.269,414 0.192,415 2.505,416 0.876,417 -0.028,418 -0.036,420 -0.063,421 -0.025,422 0.879,423 -0.135,424 2.413,425 0.434,426 -0.476,427 -0.602,429 -0.955,430 -0.425,431 0.799,432 -0.516,433 2.295,434 0.228,435 -0.701,436 -0.986,438 -1.779,439 -0.633,440 11.6,441 0.483,442 0.462,443 0.019,444 36,445 1.5,446 19.5,447 0.813,448 16.5,449 0.688,450 16.108,451 0.671,452 24.4,453 0.642,454 23.825,455 0.993,456 7.152,457 0.298,458 4.644,459 0.194,460 0.086,462 0.345,466 0.919,467 1.232,468 0.671,469 0.929,470 0.836,471 0.828,472 1.345,473 0.85,474 0.797,475 0.691,476 1.16,477 0.636,478 0.947,479 1.291,480 0.839,481 1.028,482 0.876,483 0.896,484 0.979,485 1.126,486 1.209,487 1.187,488 0.906,489 1.111,490 1.178,491 0.951,492 1.126,493 0.97,494 1.167,495 1.061,496 0.819,497 1.057,498 1.082,499 1.033,500 0.937,501 1.067,502 0.778,503 0.782,504 0.795,505 0.817,506 0.783,507 0.788,508 1.116,509 0.898,510 0.775,511 0.887,512 1.104,513 0.867,514 4,515 0.09,516 2.667,517 1.889,518 1.324,519 0.511,520 0.453,521 0.265,522 0.198,523 0.182,524 6375,525 18903,526 2.161,527 36.8,529 11,531 2,532 1,536 1.67,537 2.057,538 3.245,539 -0.26,541 1,543 1,545 66.631,546 1.753,547 3.734,548 4.376,549 4.735,550 4.787,551 4.84,552 2.669,553 4.418,554 4.558,555 3.36,556 927.455,557 7.869,558 10654.8,559 1,560 1,561 1,562 1,563 199.421,564 1.281,565 4.532,566 0.148,567 0.008,568 0.07,569 0.047,570 0.038,571 0.018,572 0.017,573 0.012,574 0.009,575 0.011,576 0.378,577 0.33,578 1,579 0.789,580 112.983,581 -0.08,582 -0.19,583 0.065,584 -0.042,585 -0.072,586 -0.006,587 -0.167,588 0.187,589 0.127,590 0.268,591 -0.127,592 0.235,593 0.052,594 -0.233,595 0.104,596 -0.055,597 0.029,598 -0.029,599 -0.028,600 -0.096,601 -0.178,602 -0.16,603 -0.01,604 -0.184,605 -0.113,606 0.014,607 -0.158,608 -0.005,609 -0.134,610 -0.093,611 -0.04,612 -0.055,613 -0.091,614 -0.061,615 -0.059,616 -0.074,617 0.093,618 0.161,619 0.234,620 0.163,621 0.183,622 0.274,623 0.013,624 0.069,625 0.126,626 0.03,627 0.005,628 0.074,629 1.009,630 1.845,631 0.792,632 18.125,633 1.015,634 1.116,635 2.13,636 4.538,637 0.721,638 3.332,639 3.664,640 4.007,641 4.317,642 4.564,643 4.644,644 4.804,645 4.97,646 4.984,647 5.081,648 5.642,649 0.693,650 338.42,651 3.332,652 4.875,653 5.753,654 6.648,655 7.543,656 8.445,657 9.347,658 10.253,659 11.158,660 12.066,661 10.5,669 1,671 3,674 4,675 7,676 3,679 1,680 4,682 21,692 1,697 2,699 38,700 21,701 1,702 27,704 41,705 17,706 15,707 3,708 3,710 4,711 7,721 15,722 2,732 1,733 1,736 14,737 6,738 1,739 7,740 1,743 4,747 0.5,748 2,754 1,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 24,790 1,791 2,797 1,801 5.3,806 2,808 11.667,809 7.683,810 5.389,811 2.038,812 4.34,813 1.572,814 1.025,815 4.004,816 11.929,817 3.651,818 4.341,819 5.051,820 5.744,821 6.367,822 6.761,823 7.261,824 7.773,825 8.043,826 8.452,827 1,828 40,829 8.782,831 3.692,832 7.653,833 16.733,835 13.513,837 2.153,838 51.667,842 153.024,843 139.442,844 68.367,846 22,848 31.278,849 108.165,850 175.024,851 68.367,852 21.766,854 47.381,855 74.216,856 75.637,857 3.074,858 160.76,860 153.024,861 176.532,862 22,863 31.278,865 153.024,866 22,869 38.138,870 88.038,871 50.357,872 31.278,873 153.024,874 90.367,875 139.442,878 153.024,879 52.629,880 86.813,881 18.011,882 72.356,883 153.024,884 90.367,885 139.442,887 0.573,888 0.359,889 0.208,890 0.112,891 20,892 8,893 0.098,894 4,895 2,896 1.211,897 3.624,898 204.242,899 0.211,900 19,901 110.039,902 1,904 15.242,905 6.304,906 2.716,907 3.862,908 90.367,909 12.925,910 13.194,913 1.571,914 2.945,916 18.011,917 382.834,918 37.5,926 38.556,927 42.408,928 0.334,929 0.712,930 0.834,931 0.902,932 0.912,933 0.922,934 4.869,935 1.324,936 5.733,937 4.054,938 4.344,939 5.027,940 1.454,941 6.581,942 4.198,943 6.102,944 1.187,945 7.309,946 3.059,947 3.892,948 4.913,950 7.545,951 3.695,952 7.433,953 0.732,954 8.986,955 2.84,956 5.964,957 7.385,958 1.175,959 10.678,960 5.695,961 8.807,962 0.522,963 10.725,964 1.5,965 6.382,966 8.158,968 12.496,969 6.047,970 10.216,971 0.353,972 12.503,973 1.164,974 7.889,975 10.073,976 0.966,977 15.142,978 7.502,979 11.652,980 -0.028,981 14.308,982 0.495,983 8.712,984 11.271,986 17.31,987 8.248,988 13.108,989 -0.476,990 16.134,991 -0.063,992 9.997,993 12.965,994 0.788,995 19.801,996 9.482,997 3.26,998 -0.701,999 17.974,1000 -0.955,1001 11.006,1002 14.366,1004 22.117,1005 10.413,1006 2.904,1007 11.466,1008 19.826,1009 -1.779,1010 12.206,1011 15.975,1012 0.634,1013 24.56,1014 11.558,1015 2.584,1016 9.156,1017 21.688,1018 4.842,1019 13.299,1020 17.469,1022 26.94,1023 12.575,1024 2.179,1025 8.497,1026 23.558,1027 3.919,1028 14.47,1029 19.048,1030 0.504,1031 29.371,1032 13.685,1033 1.874,1034 6.669,1035 25.435,1036 3.641,1037 15.601,1038 20.584,1040 31.781,1041 14.742,1042 1.61,1043 5.777,1044 27.317,1045 2.914,1046 16.764,1047 22.155,1048 0.395,1049 34.211,1050 15.841,1051 1.568,1052 4.192,1053 29.204,1054 2.724,1055 17.914,1056 23.711,1058 36.634,1059 16.919,1060 6048,1061 10552,1062 18.493,1063 27.387,1064 40.168,1065 40.981,1066 41.97,1067 40.111,1068 40.191,1069 56.238,1070 4.24,1071 117.741,1072 37.092,1073 5.516,1074 5.288,1075 6.541,1076 5.326,1077 5.26,1078 7.842,1079 1.72,1080 18.836,1081 5.045,1082 9.012,1083 1.488,1084 1.518,1085 1.554,1086 1.486,1087 1.489,1088 2.083,1089 0.157,1090 4.361,1091 1.374,1092 4.149,1093 4.166,1094 4.392,1095 4.134,1096 5.127,1097 4.094,1098 3.913,1099 3.93,1100 3.875,1101 3.821,1102 4.93,1103 3.828,1104 3.616,1105 3.669,1106 3.568,1107 3.467,1108 4.778,1109 3.48,1110 3.275,1111 3.336,1112 3.343,1113 3.031,1114 4.496,1115 3.036,1116 3.247,1117 3.314,1118 3.144,1119 2.984,1120 4.37,1121 2.96,1122 3.058,1123 3.095,1124 3.051,1125 2.949,1126 4.019,1127 2.94,1128 2.967,1129 3.048,1130 2.862,1131 2.772,1132 3.954,1133 2.77,1134 2.785,1135 2.854,1136 2.684,1137 2.65,1138 3.796,1139 2.631,1140 0.176,1141 0.122,1142 0.254,1143 0.155,1144 0.121,1145 4.744,1146 0.179,1147 3.288,1148 0.032,1149 6.86,1150 0.425,1151 4.194,1152 0.113,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.045,1158 1.917,1159 1.891,1160 1.986,1161 2.044,1162 1.091,1163 2.027,1164 1.866,1165 1.846,1166 1.946,1167 1.975,1168 1.048,1169 1.969,1170 1.698,1171 1.683,1172 1.698,1173 1.824,1174 0.843,1175 1.819,1176 1.208,1177 1.142,1178 1.576,1179 1.524,1180 0.575,1181 1.54,1182 1.191,1183 1.115,1184 1.56,1185 1.51,1186 0.573,1187 1.525,1188 1.015,1189 0.995,1190 1.152,1191 1.183,1192 0.286,1193 1.187,1194 0.893,1195 0.837,1196 1.075,1197 1.039,1198 0.182,1199 1.07,1200 0.837,1201 0.77,1202 1.025,1203 0.997,1204 0.083,1205 1.04,1206 4.007,1208 5.333,1209 2.398,1210 6.874,1211 4.844,1212 8.512,1213 7.066,1214 10.198,1216 3.227,1223 3.33,1224 10.612,1231 26.336,1232 66.631,1233 141.895,1234 166.302,1235 179.911,1236 181.911,1237 183.911,1238 26.563,1239 7.589,1240 69.16,1241 97.4,1242 23,1243 12.583,1244 4.459,1245 3.524,1246 33.858,1247 81,1248 82,1249 0.207,1250 164.221,1251 265.95,1252 392.458,1253 20191,1255 16.518,1256 0.688,1257 0.58,1258 16.872,1259 13.924,1260 11.796,1261 0.437,1262 0.3,1263 7.195,1264 10.805,1265 6.917,1266 5.767,1267 12.205,1268 8.088,1269 10.214,1270 0.269,1271 0.159,1272 10.83,1273 6.052,1274 9.294,1275 0.172,1276 0.089,1277 10.153,1278 4.785,1279 8.131,1280 0.11,1281 0.049,1282 9.107,1283 3.592,1284 6.775,1285 0.071,1286 0.026,1287 7.724,1288 2.466,1289 0.32,1290 78.862,1291 0.233,1292 23.148,1293 0.581,1294 130,1295 411.6,1296 169.263,1297 414.082,1298 578.06,1299 392,1300 157,1301 417.482,1302 196.806,1303 441.027,1304 649.51,1305 412,1306 5.538} {0 CHEMBL2153525,1 1.753,2 8.833,3 3.507,4 12.296,5 93.516,6 8.906,7 0.778,8 3.786,9 3.877,10 3.561,11 3.378,12 4.977,13 3.365,14 4.264,15 4.399,16 3.944,17 3.741,18 5.413,19 3.716,20 4.343,21 4.472,22 4.022,23 3.815,24 5.466,25 3.779,26 4.403,27 4.563,28 3.9,29 3.813,30 5.512,31 3.73,32 4.421,33 4.621,34 3.749,35 3.715,36 5.456,37 3.639,38 4.333,39 4.503,40 3.677,41 3.647,42 5.439,43 3.579,44 4.299,45 4.521,46 3.636,47 3.551,48 5.28,49 3.469,50 4.16,51 4.367,52 3.492,53 3.43,54 5.218,55 3.356,56 0.064,57 0.58,58 5.843,59 3.31,60 5.976,61 3.457,62 0.308,63 0.926,64 13.472,65 5.524,66 21.158,67 5.528,68 0.245,69 1.036,70 14.031,71 5.714,72 14.601,73 5.913,74 0.375,75 1.072,76 17.574,77 7.235,78 21.18,79 8.083,80 0.333,81 1.045,82 19.246,83 7.198,84 24.256,85 8.135,86 0.418,87 0.964,88 16.161,89 5.875,90 27.469,91 5.856,92 0.258,93 0.887,94 17.798,95 6.503,96 20.284,97 7.764,98 0.334,99 0.767,100 15.256,101 5.451,102 24.062,103 6.171,104 9,105 38,106 0.308,107 0.657,108 0.76,109 0.805,110 0.805,111 0.805,112 3.229,113 0.898,114 -3.36,115 -3.34,116 -3.2,119 44.7,123 2,133 5,134 1,135 3,136 1,137 1,138 1,139 1,143 1,150 1,159 2,161 1,162 8,164 1,166 2,168 5,172 4,176 1,178 1,181 2,182 6,185 3,187 2,190 1,193 1,194 1,197 1,199 1,202 2,205 2,206 4,211 1,213 2,217 4,224 3,228 2,229 3,237 3,241 2,242 3,250 1,255 764,256 16.773,257 16.773,258 16.773,259 16.773,260 16.773,261 14.395,262 18.113,263 9.855,264 17.536,265 13.258,266 13.258,267 13.258,268 13.258,269 13.258,270 9.532,271 31.375,272 4.554,273 14.337,274 3.494,275 1.514,276 0.924,277 0.671,278 0.671,279 0.671,280 3.932,283 1,284 1,285 466,286 2.646,288 34.448,289 165.868,291 140.108,295 1.278,296 17.341,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52,307 212,308 4.745,309 3.285,310 6.86,311 4.194,312 3.26,313 4.842,314 0.86,315 11.466,316 3.045,317 4.213,318 3.067,319 6.023,320 3.791,321 2.835,322 3.858,323 0.86,324 8.686,325 2.705,326 3.974,327 2.68,328 5.763,329 3.482,330 2.544,331 3.628,332 0.4,333 8.106,334 2.38,335 3.447,336 2.555,337 5.21,338 2.995,339 2.062,340 2.84,342 6.226,343 1.92,344 3.355,345 2.228,346 4.969,347 2.972,348 2.061,349 2.604,351 5.818,352 1.867,353 3.272,354 1.887,355 4.951,356 2.749,357 1.838,358 2.563,360 5.604,361 1.667,362 3.046,363 1.579,364 4.423,365 2.48,366 1.561,367 2.307,369 4.086,370 1.416,371 2.822,372 1.325,373 3.812,374 2.246,375 1.323,376 1.982,378 3.058,379 1.212,380 2.651,381 1.219,382 3.601,383 2.12,384 1.178,385 1.721,386 2.836,387 1.103,388 1.979,389 1.083,390 3.197,391 1.411,392 0.541,393 0.755,394 1.341,395 0.463,396 1.593,397 0.916,398 2.886,399 1.323,400 0.471,401 0.521,402 0.682,403 0.398,404 1.576,405 0.576,406 2.842,407 1.27,408 0.396,409 0.452,411 0.602,412 0.342,413 1.313,414 0.07,415 2.758,416 0.887,417 -0.032,418 -0.042,420 -0.088,421 -0.03,422 0.86,423 -0.339,424 2.414,425 0.373,426 -0.562,427 -0.77,429 -1.485,430 -0.518,431 0.799,432 -0.416,433 2.26,434 0.24,435 -0.694,436 -0.878,438 -1.599,439 -0.635,440 11.6,441 0.483,442 0.478,443 0.02,444 36,445 1.5,446 19.5,447 0.813,448 16.5,449 0.688,450 16.154,451 0.673,452 24.4,453 0.642,454 23.89,455 0.995,456 7.137,457 0.297,458 4.642,459 0.193,460 0.086,462 0.345,466 0.919,467 1.232,468 0.671,469 0.929,470 0.841,471 0.828,472 1.345,473 0.85,474 0.797,475 0.691,476 1.107,477 0.636,478 1.159,479 1.291,480 0.904,481 1.028,482 1.115,483 0.92,484 0.538,485 1.125,486 1.125,487 1.195,488 0.641,489 1.115,490 1.038,491 0.982,492 0.989,493 0.953,494 0.915,495 0.948,496 1.45,497 0.984,498 1.271,499 0.979,500 1.385,501 1.07,502 0.801,503 0.951,504 0.736,505 0.963,506 0.849,507 0.918,508 1.107,509 0.717,510 0.933,511 0.789,512 1.137,513 0.814,514 4.5,515 0.045,516 2,517 2.139,518 1.244,519 0.566,520 0.455,521 0.201,522 0.255,523 0.162,524 6255,525 18503,526 2.161,527 36.8,529 11,531 2,532 1,536 1.672,537 2.057,538 3.176,539 -0.26,541 1,543 1,545 66.631,546 1.753,547 3.734,548 4.324,549 4.577,550 4.577,551 4.577,552 2.519,553 4.168,554 4.56,555 3.301,556 910.95,557 7.881,558 10481.9,559 1,560 1,561 1,562 1,563 199.421,564 1.281,565 4.532,566 0.167,567 0.004,568 0.053,569 0.055,570 0.036,571 0.018,572 0.016,573 0.008,574 0.011,575 0.01,576 0.378,577 0.33,578 1,579 0.789,580 112.569,581 -0.08,582 -0.19,583 0.065,584 -0.042,585 -0.077,586 -0.006,587 -0.167,588 0.187,589 0.127,590 0.268,591 -0.072,592 0.235,593 -0.165,594 -0.233,595 0.037,596 -0.056,597 -0.215,598 -0.054,599 0.3,600 -0.096,601 -0.089,602 -0.162,603 0.198,604 -0.168,605 -0.068,606 -0.008,607 -0.009,608 0.014,609 0.068,610 0.036,611 -0.24,612 0.058,613 -0.312,614 -0.039,615 -0.304,616 -0.183,617 0.066,618 -0.026,619 0.245,620 0.006,621 0.104,622 0.124,623 0.02,624 0.242,625 0.081,626 0.19,627 0.005,628 0.183,629 0.958,630 1.81,631 0.792,632 17.458,633 1.015,634 1.116,635 2.13,636 4.538,637 0.721,638 3.332,639 3.664,640 3.989,641 4.317,642 4.575,643 4.663,644 4.82,645 4.963,646 4.984,647 5.094,648 5.5,649 0.693,650 338.42,651 3.332,652 4.875,653 5.746,654 6.642,655 7.533,656 8.438,657 9.336,658 10.244,659 11.147,660 12.057,661 10.5,669 1,671 3,674 4,675 7,676 3,679 1,680 4,682 21,692 1,697 2,699 38,700 21,701 1,702 27,704 41,705 17,706 15,707 3,708 3,710 4,711 7,721 15,722 2,732 1,733 1,736 14,737 6,738 1,739 7,740 1,743 4,747 0.5,748 2,754 1,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 24,790 1,791 2,797 1,801 5.3,806 2,808 11.667,809 7.683,810 5.361,811 2.031,812 4.355,813 1.574,814 1.025,815 4.004,816 11.944,817 3.651,818 4.341,819 5.042,820 5.749,821 6.369,822 6.771,823 7.266,824 7.768,825 8.044,826 8.458,827 0.833,828 39,829 8.782,831 3.691,832 7.653,833 16.733,835 13.508,837 2.153,838 51.667,842 153.024,843 139.442,844 68.367,846 22,848 31.278,849 108.165,850 175.024,851 68.367,852 21.766,854 47.381,855 74.216,856 75.637,857 3.074,858 160.76,860 153.024,861 176.532,862 22,863 31.278,865 153.024,866 22,869 38.138,870 88.038,871 50.357,872 31.278,873 153.024,874 90.367,875 139.442,878 153.024,879 52.629,880 86.813,881 18.011,882 72.356,883 153.024,884 90.367,885 139.442,887 0.573,888 0.35,889 0.203,890 0.116,891 20,892 8,893 0.098,894 4,895 2,896 1.211,897 3.615,898 204.813,899 0.211,900 19,901 102.039,902 1,904 15.242,905 6.304,906 2.824,907 3.842,908 90.367,909 12.879,910 13.201,913 1.566,914 2.982,916 18.011,917 382.834,918 37.5,926 38.556,927 42.408,928 0.334,929 0.712,930 0.824,931 0.872,932 0.872,933 0.872,934 4.869,935 1.323,936 5.727,937 4.086,938 4.344,939 5.027,940 1.454,941 6.564,942 4.198,943 6.102,944 1.178,945 7.292,946 3.058,947 3.892,948 4.913,950 7.486,951 3.695,952 7.43,953 0.541,954 8.957,955 2.836,956 5.953,957 7.379,958 1.175,959 10.625,960 5.687,961 8.8,962 0.471,963 10.682,964 1.341,965 6.347,966 8.139,968 12.411,969 6.016,970 10.204,971 0.396,972 12.446,973 0.682,974 7.857,975 10.058,976 0.966,977 15.069,978 7.475,979 11.634,980 -0.032,981 14.239,982 0.602,983 8.66,984 11.249,986 17.23,987 8.204,988 13.085,989 -0.562,990 16.053,991 -0.088,992 9.949,993 12.947,994 0.788,995 19.731,996 9.443,997 3.26,998 -0.694,999 17.885,1000 -1.485,1001 10.948,1002 14.346,1004 22.052,1005 10.365,1006 2.835,1007 11.466,1008 19.732,1009 -1.599,1010 12.15,1011 15.958,1012 0.634,1013 24.504,1014 11.513,1015 2.544,1016 8.686,1017 21.59,1018 4.842,1019 13.24,1020 17.452,1022 26.892,1023 12.527,1024 2.062,1025 8.106,1026 23.458,1027 3.858,1028 14.413,1029 19.034,1030 0.504,1031 29.331,1032 13.639,1033 2.061,1034 6.226,1035 25.334,1036 3.628,1037 15.545,1038 20.572,1040 31.746,1041 14.697,1042 1.838,1043 5.818,1044 27.218,1045 2.84,1046 16.711,1047 22.145,1048 0.395,1049 34.182,1050 15.798,1051 1.561,1052 5.604,1053 29.108,1054 2.604,1055 17.863,1056 23.702,1058 36.611,1059 16.877,1060 5939,1061 10355,1062 18.493,1063 27.387,1064 40.01,1065 41.032,1066 41.519,1067 40.021,1068 40.14,1069 56.144,1070 4.24,1071 117.021,1072 37.033,1073 5.519,1074 5.285,1075 6.541,1076 5.326,1077 5.26,1078 7.842,1079 1.72,1080 18.837,1081 5.045,1082 8.966,1083 1.482,1084 1.52,1085 1.538,1086 1.482,1087 1.487,1088 2.079,1089 0.157,1090 4.334,1091 1.372,1092 4.149,1093 4.166,1094 4.392,1095 4.134,1096 5.127,1097 4.094,1098 3.912,1099 3.93,1100 3.874,1101 3.821,1102 4.921,1103 3.828,1104 3.615,1105 3.668,1106 3.566,1107 3.467,1108 4.776,1109 3.48,1110 3.303,1111 3.355,1112 3.343,1113 3.017,1114 4.58,1115 3.026,1116 3.221,1117 3.294,1118 3.144,1119 3.006,1120 4.296,1121 2.989,1122 3.058,1123 3.096,1124 3.08,1125 2.947,1126 4.006,1127 2.93,1128 2.977,1129 3.059,1130 2.842,1131 2.775,1132 3.945,1133 2.768,1134 2.776,1135 2.843,1136 2.69,1137 2.631,1138 3.795,1139 2.618,1140 0.176,1141 0.122,1142 0.254,1143 0.155,1144 0.121,1145 4.745,1146 0.179,1147 3.285,1148 0.032,1149 6.86,1150 0.425,1151 4.194,1152 0.113,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.045,1158 1.917,1159 1.891,1160 1.985,1161 2.044,1162 1.091,1163 2.026,1164 1.866,1165 1.846,1166 1.946,1167 1.975,1168 1.048,1169 1.969,1170 1.699,1171 1.683,1172 1.698,1173 1.823,1174 0.843,1175 1.819,1176 1.227,1177 1.163,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.168,1183 1.09,1184 1.54,1185 1.47,1186 0.561,1187 1.493,1188 1.017,1189 0.995,1190 1.16,1191 1.196,1192 0.287,1193 1.2,1194 0.905,1195 0.847,1196 1.055,1197 1.039,1198 0.18,1199 1.071,1200 0.837,1201 0.772,1202 1.004,1203 0.984,1204 0.09,1205 1.031,1206 4.007,1208 5.333,1209 2.398,1210 6.868,1211 4.844,1212 8.499,1213 7.066,1214 10.18,1216 3.248,1223 3.329,1224 10.621,1231 26.336,1232 66.631,1233 141.895,1234 164.302,1235 173.911,1236 173.911,1237 173.911,1238 26.241,1239 7.589,1240 69.16,1241 97.4,1242 23,1243 12.574,1244 4.459,1245 3.524,1246 33.77,1247 79,1248 72,1249 0.211,1250 164.221,1251 265.95,1252 392.458,1253 20191,1255 16.518,1256 0.688,1257 0.58,1258 16.872,1259 13.924,1260 11.78,1261 0.436,1262 0.299,1263 7.189,1264 10.779,1265 6.908,1266 5.76,1267 12.188,1268 8.082,1269 10.32,1270 0.272,1271 0.16,1272 10.936,1273 6.084,1274 9.151,1275 0.173,1276 0.09,1277 10.01,1278 4.753,1279 8.017,1280 0.108,1281 0.048,1282 8.994,1283 3.558,1284 6.854,1285 0.071,1286 0.026,1287 7.803,1288 2.481,1289 0.325,1290 78.761,1291 0.233,1292 23.052,1293 0.601,1294 130,1295 411.6,1296 169.263,1297 414.292,1298 577.46,1299 392,1300 156,1301 416.482,1302 195.031,1303 440.326,1304 646.22,1305 411,1306 5} {0 CHEMBL2153526,1 1.778,2 9.538,3 3.49,4 12.181,5 99.979,6 8.773,7 0.724,8 3.884,9 3.972,10 3.638,11 3.433,12 5.08,13 3.43,14 4.373,15 4.512,16 4.016,17 3.79,18 5.504,19 3.779,20 4.425,21 4.534,22 4.157,23 3.887,24 5.61,25 3.874,26 4.542,27 4.678,28 4.069,29 3.927,30 5.69,31 3.877,32 4.643,33 4.813,34 3.89,35 3.879,36 5.713,37 3.815,38 4.58,39 4.775,40 3.769,41 3.821,42 5.618,43 3.726,44 4.561,45 4.829,46 3.741,47 3.68,48 5.468,49 3.584,50 4.289,51 4.49,52 3.717,53 3.537,54 5.362,55 3.492,56 0.093,57 0.636,58 6.799,59 3.782,60 6.896,61 3.947,62 0.426,63 0.995,64 16.257,65 6.19,66 26.078,67 6.203,68 0.425,69 1.107,70 15.067,71 6.148,72 18.702,73 6.554,74 0.459,75 1.188,76 19.317,77 8.078,78 23.634,79 8.629,80 0.655,81 1.215,82 23.162,83 8.484,84 39.106,85 8.738,86 0.519,87 1.184,88 21.659,89 7.894,90 33.938,91 8.909,92 0.459,93 1.088,94 26.503,95 8.515,96 33.321,97 11.133,98 0.4,99 0.849,100 17.213,101 5.979,102 26.365,103 6.868,104 19,105 41,106 0.307,107 0.639,108 0.725,109 0.761,110 0.772,111 0.806,112 3.305,113 0.891,114 -2.84,115 -2.85,116 -2.76,119 42.9,123 3,133 4,134 1,135 4,136 1,137 1,138 1,139 1,143 1,150 1,159 2,161 1,162 6,164 1,166 2,168 3,171 2,172 6,176 1,178 1,181 2,182 6,185 3,187 1,190 1,193 1,194 1,197 2,199 1,202 2,205 2,206 3,211 1,213 2,216 1,217 4,224 2,228 2,229 3,237 2,241 3,242 3,255 906,256 18.196,257 18.196,258 18.196,259 18.196,260 18.196,261 15.789,262 19.638,263 10.571,264 19.11,265 14.151,266 14.151,267 14.151,268 14.151,269 14.151,270 10.323,271 32.239,272 4.727,273 15.387,274 3.615,275 1.692,276 1.191,277 0.983,278 0.917,279 0.721,280 4.005,283 1,284 1,285 541,286 2.915,288 39.502,289 187.981,291 160.187,295 1.343,296 21.48,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 57,307 248,308 4.745,309 3.379,310 6.86,311 4.195,312 3.261,313 4.842,314 0.86,315 11.467,316 3.046,317 4.422,318 3.272,319 6.524,320 4.004,321 3.061,322 4.107,323 0.86,324 10.262,325 2.881,326 4.002,327 2.731,328 6.008,329 3.532,330 2.595,331 3.649,332 0.86,333 8.532,334 2.425,335 3.555,336 2.555,337 5.344,338 3.128,339 2.182,340 2.924,341 0.4,342 6.755,343 2.057,344 3.355,345 2.315,346 5.19,347 2.972,348 2.061,349 2.726,351 6.118,352 1.867,353 3.345,354 1.979,355 5.09,356 2.782,357 1.874,358 2.604,360 5.796,361 1.696,362 3.054,363 1.866,364 4.453,365 2.484,366 1.569,367 2.321,369 4.145,370 1.417,371 2.822,372 1.579,373 3.813,374 2.247,375 1.324,376 1.983,378 3.06,379 1.212,380 2.658,381 1.325,382 3.778,383 2.135,384 1.209,385 1.73,386 2.85,387 1.115,388 2.205,389 1.215,390 3.6,391 1.958,392 1.119,393 1.188,394 2.383,395 0.931,396 1.971,397 1.012,398 3.178,399 1.411,400 0.538,401 0.752,402 1.321,403 0.462,404 1.576,405 0.916,406 2.859,407 1.27,408 0.396,409 0.452,411 0.603,412 0.342,413 1.441,414 0.588,415 2.844,416 1.17,417 0.331,418 0.359,420 0.444,421 0.275,422 1.267,423 0.228,424 2.488,425 0.876,426 -0.028,427 -0.036,429 -0.064,430 -0.025,431 0.882,432 -0.07,433 2.414,434 0.446,435 -0.458,436 -0.567,438 -0.906,439 -0.406,440 12.433,441 0.478,442 0.513,443 0.02,444 38,445 1.462,446 20,447 0.769,448 18,449 0.692,450 18.907,451 0.727,452 27.167,453 0.647,454 26.888,455 1.034,456 7.652,457 0.294,458 5.093,459 0.196,460 0.121,462 0.362,466 0.929,467 1.3,468 0.677,469 1.001,470 0.841,471 0.874,472 1.428,473 0.794,474 0.79,475 0.623,476 1.232,477 0.56,478 0.879,479 1.308,480 0.808,481 1.034,482 0.849,483 0.88,484 0.825,485 1.174,486 1.107,487 1.216,488 0.735,489 1.109,490 1.536,491 0.966,492 1.196,493 0.948,494 1.404,495 1.067,496 1.099,497 1.062,498 1.192,499 1.052,500 1.181,501 1.177,502 0.624,503 0.769,504 0.6,505 0.762,506 0.652,507 0.724,508 1.017,509 0.769,510 0.745,511 0.771,512 1.026,513 0.731,514 4.5,515 0.11,516 2.889,517 2.451,518 1.635,519 0.684,520 0.535,521 0.287,522 0.311,523 0.253,524 7593,525 23085,526 2.124,527 38.1,529 13,531 2,532 1,536 1.694,537 2,538 3.251,539 -0.256,541 1,545 74.664,546 1.778,547 3.7,548 4.201,549 4.409,550 4.475,551 4.672,552 2.643,553 4.316,554 4.676,555 3.382,556 1099.09,557 8.115,558 13381.2,559 1,560 1,562 1,563 226.477,564 1.37,565 4.637,566 0.155,567 0.007,568 0.07,569 0.054,570 0.039,571 0.02,572 0.018,573 0.01,574 0.011,575 0.011,576 0.397,577 0.33,578 1,579 0.9,580 125.474,581 -0.084,582 -0.226,583 0.069,584 -0.075,585 -0.067,586 -0.022,587 -0.22,588 0.244,589 0.158,590 0.353,591 -0.157,592 0.331,593 0.128,594 -0.216,595 0.116,596 -0.044,597 0.055,598 -0.018,599 0.143,600 -0.128,601 -0.116,602 -0.189,603 0.162,604 -0.19,605 -0.278,606 -0.003,607 -0.256,608 -0.007,609 -0.273,610 -0.143,611 -0.146,612 -0.062,613 -0.251,614 -0.113,615 -0.235,616 -0.225,617 0.164,618 0.124,619 0.425,620 0.199,621 0.27,622 0.374,623 0.051,624 0.199,625 0.249,626 0.192,627 0.073,628 0.252,629 1.126,630 1.907,631 0.731,632 19.822,633 1.018,634 1.12,635 1.609,636 2.588,637 0.705,638 3.401,639 3.738,640 4.094,641 4.419,642 4.654,643 4.736,644 4.898,645 5.056,646 5.088,647 5.209,648 5.798,649 0.68,650 368.45,651 3.401,652 4.949,653 5.832,654 6.735,655 7.635,656 8.544,657 9.449,658 10.361,659 11.268,660 12.181,661 9.5,669 1,671 3,674 4,675 6,676 3,679 1,680 5,682 21,692 1,697 3,699 42,700 21,701 1,702 29,704 45,705 18,706 15,707 4,708 2,710 4,711 7,721 15,722 3,732 1,733 1,736 16,737 7,738 1,739 8,740 1,743 4,747 0.5,748 3,754 1,755 1,759 1,760 3,762 2,777 2,779 1,781 3,785 26,790 1,791 3,797 1,801 7.1,806 3,808 13,809 8.767,810 5.917,811 2.197,812 4.364,813 1.564,814 1.004,815 4.678,816 12.107,817 3.701,818 4.391,819 5.107,820 5.802,821 6.413,822 6.814,823 7.305,824 7.808,825 8.092,826 8.519,827 1,828 45,829 9.517,831 3.976,832 7.686,833 18.042,835 14.405,837 2.186,838 56.833,841 1,842 176.567,843 146.093,844 68.367,846 33,848 31.278,849 114.815,850 209.566,851 68.367,852 32.649,854 37.905,855 74.216,856 91.881,857 3.074,858 184.302,860 176.567,861 183.182,862 33,863 31.278,865 176.567,866 33,869 38.138,870 94.688,871 50.357,872 31.278,873 176.567,874 101.367,875 146.093,878 176.567,879 57.872,880 88.22,881 18.011,882 83.356,883 176.567,884 101.367,885 146.093,887 0.571,888 0.366,889 0.218,890 0.117,891 21,892 9,893 0.111,894 5,895 2,896 1.211,897 3.717,898 229.81,899 0.211,900 19,901 114.211,902 1,904 17.095,905 7.114,906 3.02,907 3.761,908 101.367,909 10.904,910 13.225,913 1.549,914 3.145,916 18.011,917 424.026,918 39.5,926 42.767,927 47.033,928 0.33,929 0.686,930 0.779,931 0.818,932 0.83,933 0.866,934 4.929,935 1.324,936 5.82,937 4.145,938 4.419,939 5.078,940 1.751,941 6.686,942 4.263,943 6.165,944 1.209,945 7.408,946 3.06,947 4.007,948 5.007,950 7.687,951 3.808,952 7.502,953 1.119,954 9.098,955 2.85,956 6.057,957 7.442,958 1.466,959 10.826,960 5.777,961 8.884,962 0.538,963 10.848,964 2.383,965 6.509,966 8.243,968 12.663,969 6.169,970 10.299,971 0.396,972 12.636,973 1.321,974 8.002,975 10.136,976 1.234,977 15.316,978 7.604,979 11.74,980 0.331,981 14.451,982 0.603,983 8.85,984 11.347,986 17.492,987 8.38,988 13.201,989 -0.028,990 16.285,991 0.444,992 10.129,993 13.029,994 1.028,995 19.985,996 9.606,997 3.261,998 -0.458,999 18.133,1000 -0.064,1001 11.155,1002 14.434,1004 22.3,1005 10.557,1006 3.061,1007 11.467,1008 19.992,1009 -0.906,1010 12.354,1011 16.035,1012 0.845,1013 24.741,1014 11.7,1015 2.595,1016 10.262,1017 21.86,1018 4.842,1019 13.457,1020 17.527,1022 27.114,1023 12.73,1024 2.182,1025 8.532,1026 23.735,1027 4.107,1028 14.629,1029 19.101,1030 0.684,1031 29.539,1032 13.841,1033 2.061,1034 6.755,1035 25.616,1036 3.649,1037 15.765,1038 20.633,1040 31.939,1041 14.906,1042 1.874,1043 6.118,1044 27.502,1045 2.924,1046 16.929,1047 22.2,1048 0.546,1049 34.361,1050 16.007,1051 1.569,1052 5.796,1053 29.392,1054 2.726,1055 18.081,1056 23.752,1058 36.774,1059 17.089,1060 7267,1061 12813,1062 19.592,1063 29.602,1064 42.885,1065 44.169,1066 45.566,1067 42.907,1068 43.042,1069 59.274,1070 5.96,1071 127.471,1072 39.453,1073 5.521,1074 5.379,1075 6.541,1076 5.327,1077 5.261,1078 7.842,1079 1.72,1080 18.837,1081 5.046,1082 11.437,1083 1.479,1084 1.523,1085 1.571,1086 1.48,1087 1.484,1088 2.044,1089 0.206,1090 4.396,1091 1.36,1092 4.15,1093 4.166,1094 4.393,1095 4.134,1096 5.129,1097 4.095,1098 3.925,1099 3.936,1100 3.899,1101 3.822,1102 4.968,1103 3.836,1104 3.618,1105 3.671,1106 3.57,1107 3.468,1108 4.779,1109 3.481,1110 3.303,1111 3.355,1112 3.344,1113 3.033,1114 4.58,1115 3.037,1116 3.272,1117 3.334,1118 3.144,1119 3.006,1120 4.467,1121 3.026,1122 3.198,1123 3.278,1124 3.144,1125 2.981,1126 4.296,1127 2.94,1128 3.056,1129 3.091,1130 2.974,1131 2.894,1132 3.997,1133 2.892,1134 2.931,1135 3.013,1136 2.832,1137 2.745,1138 3.926,1139 2.741,1140 0.164,1141 0.117,1142 0.237,1143 0.145,1144 0.112,1145 4.745,1146 0.167,1147 3.379,1148 0.03,1149 6.86,1150 0.395,1151 4.195,1152 0.105,1153 3.261,1154 4.842,1155 0.86,1156 11.467,1157 3.046,1158 1.916,1159 1.891,1160 1.978,1161 2.046,1162 1.091,1163 2.025,1164 1.863,1165 1.847,1166 1.933,1167 1.979,1168 1.049,1169 1.967,1170 1.698,1171 1.684,1172 1.698,1173 1.826,1174 0.843,1175 1.82,1176 1.227,1177 1.163,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.206,1183 1.139,1184 1.571,1185 1.519,1186 0.574,1187 1.535,1188 1.157,1189 1.069,1190 1.536,1191 1.47,1192 0.561,1193 1.493,1194 1.011,1195 0.994,1196 1.102,1197 1.15,1198 0.285,1199 1.161,1200 0.875,1201 0.819,1202 1.03,1203 1.038,1204 0.09,1205 1.063,1206 4.078,1208 5.407,1209 2.398,1210 6.956,1211 4.844,1212 8.604,1213 7.066,1214 10.303,1216 4.745,1223 3.325,1224 16.179,1231 28.578,1232 74.664,1233 155.419,1234 176.438,1235 185.193,1236 187.948,1237 196.213,1238 32.058,1239 7.743,1240 78.39,1241 106.63,1242 23,1243 12.695,1244 4.459,1245 3.524,1246 37.944,1247 92,1248 80,1249 0.207,1250 177.809,1251 292.04,1252 425.615,1253 24153,1255 18.096,1256 0.696,1257 0.587,1258 18.449,1259 15.255,1260 12.745,1261 0.439,1262 0.297,1263 7.682,1264 11.605,1265 7.36,1266 6.155,1267 13.153,1268 8.617,1269 10.945,1270 0.267,1271 0.156,1272 11.56,1273 6.396,1274 10,1275 0.169,1276 0.086,1277 10.859,1278 5.066,1279 8.94,1280 0.109,1281 0.047,1282 9.917,1283 3.832,1284 7.416,1285 0.071,1286 0.025,1287 8.365,1288 2.636,1289 0.319,1290 85.669,1291 0.226,1292 24.667,1293 0.586,1294 140,1295 467.335,1296 182.142,1297 460.418,1298 639.09,1299 436,1300 170,1301 459.027,1302 213.238,1303 482.798,1304 711.5,1305 449,1306 5} {0 CHEMBL2153527,1 1.795,2 8.783,3 3.308,4 10.94,5 86.357,6 9.769,7 0.778,8 3.697,9 3.771,10 3.551,11 3.324,12 4.888,13 3.327,14 4.189,15 4.285,16 3.973,17 3.72,18 5.398,19 3.711,20 4.269,21 4.402,22 3.978,23 3.748,24 5.395,25 3.712,26 4.249,27 4.405,28 3.776,29 3.676,30 5.339,31 3.6,32 4.143,33 4.328,34 3.583,35 3.515,36 5.217,37 3.438,38 4.017,39 4.18,40 3.537,41 3.441,42 5.134,43 3.383,44 3.967,45 4.143,46 3.457,47 3.325,48 5.04,49 3.273,50 3.794,51 3.945,52 3.373,53 3.157,54 4.925,55 3.139,56 0.094,57 0.51,58 3.543,59 2.654,60 5.34,61 2.348,62 0.372,63 0.853,64 8.412,65 4.586,66 18.785,67 3.75,68 0.257,69 0.961,70 10.636,71 5.194,72 13.883,73 4.83,74 0.334,75 0.934,76 13.96,77 6.028,78 18.577,79 5.625,80 0.309,81 0.839,82 12.972,83 5.369,84 19.022,85 5.551,86 0.26,87 0.742,88 10.527,89 4.382,90 16.093,91 3.946,92 0.244,93 0.666,94 10.628,95 4.407,96 15.116,97 4.43,98 0.232,99 0.537,100 7.717,101 3.441,102 14.078,103 3.195,105 39,106 0.322,107 0.677,108 0.81,109 0.884,110 0.895,111 0.895,112 3.19,113 0.872,114 -3.52,115 -3.5,116 -3.34,119 48.5,125 1,133 5,134 1,135 3,136 1,137 1,138 1,139 1,143 1,150 1,159 3,161 2,162 6,164 1,166 2,168 3,172 7,176 2,178 2,181 1,182 5,185 2,187 1,190 1,193 1,194 2,197 2,199 1,202 2,205 1,206 3,211 1,213 3,216 1,217 4,224 3,228 1,229 3,237 3,241 2,242 2,250 1,255 666,256 16.24,257 16.24,258 16.24,259 16.24,260 16.24,261 13.834,262 16.088,263 9.539,264 16.789,265 13.391,266 13.391,267 13.391,268 13.391,269 13.391,270 9.71,271 27.045,272 4.552,273 14.332,274 3.249,275 1.273,276 0.534,277 0.121,278 0.061,279 0.061,280 3.912,283 1,284 1,285 469,286 2.236,288 74.862,289 134.471,291 199.701,295 1.289,296 17.571,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 50,307 202,308 4.744,309 3.322,310 6.86,311 4.194,312 3.26,313 4.842,314 1.392,315 11.466,316 3.045,317 4.294,318 3.268,319 6.198,320 3.893,321 2.943,322 3.933,323 0.532,324 9.277,325 2.788,326 3.998,327 2.746,328 6.003,329 3.531,330 2.594,331 3.643,332 0.4,333 8.51,334 2.425,335 3.565,336 2.34,337 5.323,338 3.152,339 2.202,340 2.926,342 6.703,343 2.085,344 3.349,345 1.992,346 5.078,347 2.788,348 1.879,349 2.732,351 5.785,352 1.703,353 3.055,354 1.925,355 4.454,356 2.486,357 1.57,358 2.322,360 4.248,361 1.439,362 2.886,363 1.718,364 4.353,365 2.476,366 1.534,367 2.024,369 4.094,370 1.417,371 2.822,372 1.57,373 3.812,374 2.247,375 1.324,376 1.983,378 3.059,379 1.212,380 2.658,381 1.325,382 3.601,383 2.152,384 1.201,385 1.731,386 2.844,387 1.137,388 2.208,389 1.209,390 3.453,391 2.071,392 1.087,393 1.186,394 2.447,395 1.066,396 1.986,397 0.816,398 3.208,399 1.481,400 0.575,401 0.78,402 1.428,403 0.513,404 1.702,405 0.567,406 3.041,407 1.326,408 0.427,409 0.535,411 1.049,412 0.379,413 1.245,414 0.1,415 2.828,416 0.848,417 -0.069,418 -0.088,420 -0.184,421 -0.063,422 0.812,423 -0.393,424 2.414,425 0.359,426 -0.577,427 -0.766,429 -1.489,430 -0.531,431 0.799,432 -0.585,433 2.321,434 0.225,435 -0.701,436 -1.051,438 -1.781,439 -0.636,440 11.1,441 0.483,442 0.462,443 0.02,444 36,445 1.565,446 19.5,447 0.848,448 16.5,449 0.717,450 14.253,451 0.62,452 22.5,453 0.682,454 22.048,455 0.959,456 6.933,457 0.301,458 4.449,459 0.193,462 0.36,466 0.926,467 1.146,468 0.625,469 0.846,470 0.86,471 0.729,472 1.137,473 0.892,474 0.822,475 0.768,476 1.059,477 0.727,478 0.939,479 1.28,480 0.889,481 1.063,482 0.915,483 0.969,484 0.899,485 1.048,486 1.308,487 1.158,488 0.905,489 1.114,490 0.743,491 0.983,492 1.108,493 1.021,494 0.829,495 1.052,496 0.974,497 1.013,498 1.225,499 1.018,500 1.05,501 1.006,502 0.854,503 0.957,504 0.969,505 1.051,506 0.929,507 1.013,508 1.186,509 0.849,510 0.82,511 0.917,512 1.199,513 0.895,514 3.5,515 0.032,516 2.444,517 1.708,518 1.039,519 0.354,520 0.398,521 0.202,522 0.13,523 0.098,524 6306,525 18748,526 2.303,527 30.3,529 5,530 2,531 2,532 1,536 1.657,537 2.262,538 3.162,539 -0.241,541 1,543 1,545 59.246,546 1.795,547 3.771,548 4.511,549 4.923,550 4.984,551 4.984,552 2.525,553 4.437,554 4.5,555 3.283,556 830.698,557 7.742,558 9166.75,559 1,560 1,561 1,562 1,563 166.465,564 0.932,565 4.495,566 0.13,567 0.004,568 0.063,569 0.046,570 0.034,571 0.014,572 0.016,573 0.009,574 0.007,575 0.007,576 0.328,577 0.5,578 0.88,580 106.208,581 -0.115,582 -0.163,583 0.05,584 -0.025,585 -0.127,586 0.009,587 -0.02,588 0.117,589 0.016,590 0.14,591 -0.081,592 0.062,593 -0.107,594 -0.268,595 0.064,596 -0.102,597 -0.082,598 -0.075,599 -0.038,600 -0.031,601 -0.203,602 -0.102,603 -0.026,604 -0.141,605 0.05,606 0.02,607 -0.063,608 -0.018,609 0.088,610 -0.022,611 -0.136,612 0.036,613 -0.202,614 -0.026,615 -0.139,616 -0.061,617 0.045,618 0.007,619 0.048,620 -0.06,621 0.039,622 0.015,623 -0.022,624 0.094,625 0.108,626 0.025,627 -0.074,628 0.063,629 1.238,630 1.91,631 0.957,632 15.777,633 1.024,634 1.108,635 2.293,636 5.257,637 0.753,638 3.332,639 3.689,640 4.043,641 4.382,642 4.615,643 4.718,644 4.898,645 5.081,646 5.069,647 5.204,648 5.386,649 0.736,650 322.37,651 3.332,652 4.89,653 5.778,654 6.681,655 7.582,656 8.491,657 9.397,658 10.307,659 11.216,660 12.128,661 12.1,669 1,671 3,674 4,675 7,676 3,679 1,680 4,682 21,692 1,697 2,699 33,700 21,701 1,702 27,704 37,705 16,706 15,707 3,708 3,710 5,711 9,721 15,722 1,732 1,733 1,736 10,737 6,738 1,739 7,740 1,743 4,747 0.4,748 2,754 1,755 1,759 2,760 3,762 3,777 2,779 1,785 23,789 1,790 1,791 2,797 1,801 6.1,806 2,808 10.167,809 6.183,810 4.889,811 1.871,812 4.408,813 1.559,814 1.095,815 2.929,816 12.294,817 3.651,818 4.353,819 5.064,820 5.766,821 6.385,822 6.787,823 7.292,824 7.807,825 8.061,826 8.481,827 0.833,828 37,829 8.437,831 3.705,832 7.638,833 16.135,835 13.63,837 2.138,838 49.167,842 105.94,843 124.327,844 68.367,846 22,848 31.278,849 93.049,850 127.94,851 68.367,853 6.65,854 47.381,855 74.216,856 75.637,857 26.616,858 90.133,860 105.94,861 161.416,862 22,863 31.278,865 105.94,866 22,869 44.788,870 66.272,871 50.357,872 31.278,873 105.94,874 90.367,875 124.327,878 105.94,879 59.279,880 65.047,881 18.011,882 72.356,883 105.94,884 90.367,885 124.327,887 0.585,888 0.355,889 0.208,890 0.111,891 23,892 8,893 0.054,894 2,895 3,896 1.273,897 3.664,898 201.3,899 0.273,900 22,901 104.042,902 1,904 13.169,905 5.115,906 2.141,907 3.899,908 90.367,909 13.025,910 13.184,913 1.578,914 3.143,916 18.011,917 320.634,918 37.5,926 33.789,927 36.578,928 0.356,929 0.748,930 0.894,931 0.976,932 0.988,933 0.988,934 4.885,935 1.324,936 5.759,937 4.094,938 4.369,939 5.04,940 1.751,941 6.608,942 4.236,943 6.116,944 1.201,945 7.33,946 3.059,947 3.892,948 4.913,950 7.545,951 3.695,952 7.446,953 1.087,954 9.003,955 2.844,956 5.989,957 7.391,958 2.164,959 10.697,960 5.733,961 8.819,962 0.575,963 10.738,964 2.447,965 6.399,966 8.162,968 12.51,969 6.068,970 10.228,971 0.427,972 12.514,973 1.428,974 7.919,975 10.078,976 2.746,977 15.159,978 7.541,979 11.664,980 -0.069,981 14.319,982 1.049,983 8.74,984 11.276,986 17.326,987 8.282,988 13.121,989 -0.577,990 16.144,991 -0.184,992 10.031,993 12.97,994 3.372,995 19.816,996 9.524,997 3.26,998 -0.701,999 17.984,1000 -1.489,1001 11.039,1002 14.371,1004 22.132,1005 10.453,1006 2.943,1007 11.466,1008 19.837,1009 -1.781,1010 12.242,1011 15.979,1012 4.015,1013 24.573,1014 11.601,1015 2.594,1016 9.277,1017 21.699,1018 4.842,1019 13.334,1020 17.472,1022 26.953,1023 12.617,1024 2.202,1025 8.51,1026 23.569,1027 3.933,1028 14.506,1029 19.051,1030 4.667,1031 29.382,1032 13.729,1033 1.879,1034 6.703,1035 25.445,1036 3.643,1037 15.636,1038 20.587,1040 31.79,1041 14.786,1042 1.57,1043 5.785,1044 27.328,1045 2.926,1046 16.799,1047 22.158,1048 5.323,1049 34.22,1050 15.885,1051 1.534,1052 4.248,1053 29.215,1054 2.732,1055 17.948,1056 23.713,1058 36.642,1059 16.962,1060 5629,1061 9854,1062 19.186,1063 24.864,1064 41.199,1065 41.826,1066 41.436,1067 41.196,1068 41.194,1069 57.274,1070 4.646,1071 121.824,1072 38.415,1073 5.581,1074 5.322,1075 6.541,1076 5.327,1077 5.26,1078 7.842,1079 2.783,1080 18.836,1081 5.045,1083 1.526,1084 1.549,1085 1.535,1086 1.526,1087 1.526,1088 2.121,1089 0.172,1090 4.512,1091 1.423,1092 4.15,1093 4.166,1094 4.392,1095 4.134,1096 5.129,1097 4.095,1098 3.941,1099 3.953,1100 3.907,1101 3.836,1102 4.999,1103 3.846,1104 3.621,1105 3.674,1106 3.573,1107 3.469,1108 4.78,1109 3.483,1110 3.314,1111 3.348,1112 3.346,1113 3.058,1114 4.399,1115 3.088,1116 3.057,1117 3.092,1118 3.22,1119 2.991,1120 4.035,1121 2.942,1122 2.965,1123 3.034,1124 2.884,1125 2.787,1126 3.981,1127 2.791,1128 2.813,1129 2.869,1130 2.738,1131 2.68,1132 3.929,1133 2.673,1134 2.708,1135 2.788,1136 2.591,1137 2.508,1138 3.779,1139 2.512,1140 0.176,1141 0.123,1142 0.254,1143 0.155,1144 0.121,1145 4.744,1146 0.179,1147 3.322,1148 0.052,1149 6.86,1150 0.425,1151 4.194,1152 0.113,1153 3.26,1154 4.842,1155 1.392,1156 11.466,1157 3.045,1158 1.913,1159 1.885,1160 1.978,1161 2.036,1162 1.086,1163 2.019,1164 1.853,1165 1.833,1166 1.933,1167 1.951,1168 1.042,1169 1.951,1170 1.693,1171 1.678,1172 1.69,1173 1.808,1174 0.841,1175 1.805,1176 1.161,1177 1.129,1178 1.439,1179 1.52,1180 0.579,1181 1.486,1182 1.023,1183 1,1184 1.144,1185 1.223,1186 0.286,1187 1.203,1188 0.909,1189 0.876,1190 1.074,1191 1.039,1192 0.176,1193 1.069,1194 0.834,1195 0.78,1196 1.034,1197 0.99,1198 0.097,1199 1.029,1200 0.794,1201 0.73,1202 0.886,1203 0.981,1204 0.048,1205 1.013,1206 4.007,1208 5.352,1209 3.045,1210 6.899,1211 5.416,1212 8.538,1213 7.545,1214 10.225,1222 0.262,1223 3.334,1224 10.742,1231 24.283,1232 59.246,1233 124.449,1234 148.855,1235 162.465,1236 164.465,1237 164.465,1238 21.938,1239 7.886,1240 69.16,1241 97.4,1242 28,1243 12.642,1244 4.459,1245 3.524,1246 28.635,1247 74,1248 64,1249 0.189,1250 147.235,1251 236.29,1252 351.013,1253 30296,1255 15.225,1256 0.662,1257 0.549,1258 15.579,1259 12.631,1260 11.382,1261 0.422,1262 0.291,1263 6.972,1264 10.446,1265 6.8,1266 5.58,1267 11.79,1268 7.849,1269 10.329,1270 0.265,1271 0.155,1272 10.944,1273 6.05,1274 9.395,1275 0.168,1276 0.085,1277 10.254,1278 4.774,1279 8.469,1280 0.107,1281 0.046,1282 9.446,1283 3.653,1284 6.96,1285 0.07,1286 0.025,1287 7.91,1288 2.481,1289 0.292,1290 75.962,1291 0.228,1292 22.305,1293 0.534,1294 132,1295 413.6,1296 172.813,1297 415.501,1298 585.8,1299 394,1300 161,1301 431.3,1302 202.135,1303 450.723,1304 672.01,1305 424,1306 5} {0 CHEMBL2153528,1 1.767,2 9.458,3 3.325,4 11.057,5 91.547,6 9.344,7 0.75,8 3.766,9 3.847,10 3.584,11 3.386,12 4.927,13 3.381,14 4.269,15 4.38,16 3.996,17 3.776,18 5.421,19 3.76,20 4.428,21 4.572,22 4.055,23 3.827,24 5.543,25 3.795,26 4.328,27 4.485,28 3.828,29 3.761,30 5.398,31 3.681,32 4.258,33 4.443,34 3.651,35 3.635,36 5.303,37 3.547,38 4.174,39 4.364,40 3.583,41 3.535,42 5.228,43 3.46,44 4.073,45 4.266,46 3.497,47 3.4,48 5.109,49 3.339,50 3.917,51 4.083,52 3.45,53 3.265,54 5.011,55 3.239,56 0.078,57 0.553,58 4.675,59 3.027,60 5.496,61 2.914,62 0.278,63 0.925,64 10.638,65 5.259,66 17.601,67 4.775,68 0.44,69 1.077,70 15.756,71 6.385,72 23.711,73 6.124,74 0.315,75 1.003,76 15.535,77 6.571,78 18.419,79 6.54,80 0.295,81 0.926,82 14.554,83 6.053,84 19.482,85 6.637,86 0.272,87 0.853,88 13.979,89 5.403,90 18.975,91 5.661,92 0.259,93 0.742,94 12.862,95 4.894,96 17.023,97 5.218,98 0.232,99 0.608,100 9.687,101 3.986,102 15.049,103 4.062,105 40,106 0.312,107 0.668,108 0.788,109 0.855,110 0.865,111 0.874,112 3.229,113 0.895,114 -3.36,115 -3.34,116 -3.2,119 47.2,124 2,133 5,134 1,135 3,136 1,137 1,138 1,139 1,143 1,150 1,159 3,161 1,162 6,164 1,166 2,168 3,171 1,172 7,176 2,178 2,181 1,182 5,185 2,187 1,190 1,193 1,194 2,197 2,199 1,202 2,205 1,206 3,211 1,213 3,216 1,217 4,224 3,228 1,229 3,237 3,241 2,242 2,250 1,255 748,256 16.947,257 16.947,258 16.947,259 16.947,260 16.947,261 14.541,262 17.482,263 10.039,264 17.62,265 13.891,266 13.891,267 13.891,268 13.891,269 13.891,270 10.21,271 28.789,272 4.8,273 15.031,274 3.403,275 1.389,276 0.711,277 0.333,278 0.278,279 0.222,280 3.953,283 1,284 1,285 524,286 2.236,288 32.597,289 193.976,291 131.733,292 85.853,295 1.375,296 18.59,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52,307 227,308 4.744,309 3.295,310 6.86,311 4.194,312 3.26,313 4.842,314 0.86,315 11.466,316 3.045,317 4.283,318 3.241,319 6.188,320 3.87,321 2.927,322 3.925,323 0.86,324 9.25,325 2.759,326 3.996,327 2.74,328 6.003,329 3.526,330 2.591,331 3.642,332 0.4,333 8.507,334 2.416,335 3.56,336 2.337,337 5.322,338 3.142,339 2.199,340 2.921,342 6.697,343 2.065,344 3.348,345 2.175,346 5.078,347 2.787,348 1.88,349 2.73,351 5.785,352 1.701,353 3.055,354 1.929,355 4.464,356 2.53,357 1.618,358 2.322,360 4.384,361 1.469,362 2.923,363 1.781,364 4.391,365 2.486,366 1.573,367 2.061,369 4.111,370 1.418,371 2.822,372 1.576,373 3.812,374 2.322,375 1.404,376 1.983,378 3.062,379 1.275,380 2.659,381 1.325,382 3.618,383 2.246,384 1.323,385 1.732,386 3.002,387 1.212,388 2.474,389 1.212,390 3.6,391 2.123,392 1.181,393 1.473,394 2.833,395 1.106,396 2.006,397 1.007,398 3.233,399 1.614,400 0.713,401 0.866,402 1.662,403 0.635,404 1.892,405 0.6,406 3.138,407 1.391,408 0.518,409 0.716,411 1.297,412 0.445,413 1.314,414 0.217,415 2.863,416 0.915,417 0.008,418 0.01,420 0.021,421 0.007,422 0.908,423 -0.133,424 2.415,425 0.461,426 -0.453,427 -0.576,429 -1.103,430 -0.407,431 0.799,432 -0.314,433 2.331,434 0.311,435 -0.618,436 -0.729,438 -1.596,439 -0.565,440 11.6,441 0.483,442 0.462,443 0.019,444 36.5,445 1.521,446 19.5,447 0.813,448 17,449 0.708,450 15.801,451 0.658,452 23.8,453 0.661,454 22.839,455 0.952,456 6.988,457 0.291,458 4.894,459 0.204,462 0.345,466 0.911,467 1.162,468 0.638,469 0.87,470 0.824,471 0.763,472 1.261,473 0.968,474 0.825,475 0.847,476 1.11,477 0.785,478 1.23,479 1.128,480 0.88,481 0.911,482 1.102,483 0.843,484 0.877,485 1.069,486 1.262,487 1.158,488 0.877,489 1.109,490 0.705,491 1.021,492 1.084,493 1.056,494 0.812,495 1.096,496 0.895,497 1.039,498 1.125,499 1.006,500 0.962,501 1.001,502 0.891,503 0.912,504 0.946,505 0.977,506 0.927,507 0.946,508 1.124,509 0.886,510 0.766,511 0.888,512 1.131,513 0.853,514 3.5,515 0.037,516 2.444,517 1.639,518 1.226,519 0.358,520 0.432,521 0.206,522 0.136,523 0.128,524 7064,525 20064,526 2.289,527 33.3,529 9,531 2,532 1,536 1.668,537 2.25,538 3.248,539 -0.26,540 1,541 1,543 1,545 63.611,546 1.767,547 3.781,548 4.459,549 4.837,550 4.892,551 4.948,552 2.669,553 4.335,554 4.561,555 3.359,556 927.11,557 7.863,558 10583.7,559 1,560 1,561 1,562 1,563 186.117,564 0.918,565 4.557,566 0.125,567 0.003,568 0.061,569 0.041,570 0.037,571 0.013,572 0.017,573 0.009,574 0.006,575 0.008,576 0.32,577 0.5,578 0.88,580 112.875,581 -0.094,582 -0.159,583 0.059,584 -0.024,585 -0.074,586 0.011,587 -0.148,588 0.045,589 0.034,590 0.074,591 -0.123,592 0.039,593 -0.059,594 -0.133,595 0.102,596 0.065,597 -0.059,598 0.066,599 -0.025,600 -0.046,601 -0.197,602 -0.119,603 -0.02,604 -0.161,605 0.056,606 -0.026,607 -0.097,608 -0.078,609 0.061,610 -0.102,611 -0.069,612 -0.011,613 -0.097,614 -0.015,615 -0.05,616 -0.016,617 0.024,618 0.075,619 0.056,620 -0.002,621 0.038,622 0.06,623 0.015,624 0.068,625 0.149,626 0.042,627 -0.016,628 0.1,629 0.934,630 2.132,631 0.958,632 17.292,633 1.019,634 1.111,635 2.13,636 4.538,637 0.74,638 3.367,639 3.714,640 4.06,641 4.394,642 4.673,643 4.745,644 4.92,645 5.106,646 5.153,647 5.231,648 5.627,649 0.717,650 336.4,651 3.367,652 4.92,653 5.802,654 6.701,655 7.598,656 8.503,657 9.407,658 10.314,659 11.22,660 12.13,661 11.1,669 1,671 3,674 4,675 7,676 3,679 1,680 4,682 21,692 1,697 2,699 36,700 21,701 1,702 28,704 40,705 17,706 15,707 3,708 3,710 5,711 9,721 15,722 2,732 1,733 1,736 12,737 6,738 1,739 7,740 1,743 4,747 0.4,748 2,754 1,755 1,759 1,760 4,762 2,763 1,777 2,779 1,785 24,789 2,790 1,791 2,797 1,801 5.6,806 2,808 10.667,809 6.683,810 5.139,811 2.121,812 4.417,813 1.552,814 1.08,815 3.316,816 12.416,817 3.676,818 4.366,819 5.07,820 5.769,821 6.399,822 6.793,823 7.296,824 7.811,825 8.087,826 8.485,827 1,828 40,829 8.822,831 3.855,832 7.611,833 16.952,835 14.297,837 2.111,838 50.667,842 129.482,843 126.861,844 68.367,846 22,848 31.278,849 95.583,850 151.482,851 68.367,853 9.185,854 47.381,855 74.216,856 75.637,857 3.074,858 137.218,860 129.482,861 163.951,862 22,863 31.278,865 129.482,866 22,869 47.323,870 66.272,871 50.357,872 31.278,873 129.482,874 90.367,875 126.861,878 129.482,879 61.814,880 65.047,881 18.011,882 72.356,883 129.482,884 90.367,885 126.861,887 0.582,888 0.352,889 0.206,890 0.116,891 23,892 8,893 0.05,894 2,895 3,896 1.261,897 3.746,898 211.899,899 0.261,900 23,901 110.039,902 1,904 14.079,905 5.653,906 2.426,907 3.905,908 90.367,909 13.093,910 13.225,913 1.582,914 3.171,916 18.011,917 346.71,918 38.5,926 36.673,927 39.993,928 0.342,929 0.731,930 0.862,931 0.936,932 0.946,933 0.957,934 4.907,935 1.404,936 5.778,937 4.111,938 4.394,939 5.053,940 1.454,941 6.619,942 4.244,943 6.131,944 1.323,945 7.343,946 3.062,947 3.892,948 4.913,950 7.545,951 3.695,952 7.457,953 1.181,954 9.011,955 3.002,956 6.004,957 7.394,958 1.175,959 10.699,960 5.726,961 8.825,962 0.713,963 10.743,964 2.833,965 6.382,966 8.158,968 12.504,969 6.047,970 10.231,971 0.518,972 12.517,973 1.662,974 7.922,975 10.078,976 0.966,977 15.158,978 7.522,979 11.663,980 0.008,981 14.32,982 1.297,983 8.721,984 11.273,986 17.322,987 8.254,988 13.118,989 -0.453,990 16.143,991 0.021,992 10.025,993 12.968,994 0.788,995 19.814,996 9.497,997 3.26,998 -0.618,999 17.983,1000 -1.103,1001 11.022,1002 14.368,1004 22.128,1005 10.423,1006 2.927,1007 11.466,1008 19.834,1009 -1.596,1010 12.23,1011 15.977,1012 0.634,1013 24.571,1014 11.571,1015 2.591,1016 9.25,1017 21.696,1018 4.842,1019 13.318,1020 17.47,1022 26.95,1023 12.585,1024 2.199,1025 8.507,1026 23.565,1027 3.925,1028 14.492,1029 19.049,1030 0.504,1031 29.38,1032 13.697,1033 1.88,1034 6.697,1035 25.442,1036 3.642,1037 15.62,1038 20.585,1040 31.788,1041 14.754,1042 1.618,1043 5.785,1044 27.324,1045 2.921,1046 16.785,1047 22.156,1048 0.395,1049 34.218,1050 15.853,1051 1.573,1052 4.384,1053 29.211,1054 2.73,1055 17.933,1056 23.712,1058 36.64,1059 16.93,1060 6336,1061 10832,1062 19.879,1063 26.625,1064 42.526,1065 42.928,1066 42.854,1067 42.352,1068 42.389,1069 58.444,1070 4.24,1071 124.157,1072 39.106,1073 5.689,1074 5.295,1075 6.547,1076 5.334,1077 5.26,1078 7.842,1079 1.72,1080 18.836,1081 5.045,1083 1.519,1084 1.533,1085 1.531,1086 1.513,1087 1.514,1088 2.087,1089 0.151,1090 4.434,1091 1.397,1092 4.15,1093 4.166,1094 4.393,1095 4.134,1096 5.127,1097 4.095,1098 3.938,1099 3.952,1100 3.899,1101 3.834,1102 4.946,1103 3.844,1104 3.626,1105 3.679,1106 3.575,1107 3.471,1108 4.779,1109 3.485,1110 3.447,1111 3.498,1112 3.353,1113 3.249,1114 4.387,1115 3.256,1116 3.062,1117 3.103,1118 3.309,1119 3.007,1120 4.214,1121 2.95,1122 3.008,1123 3.071,1124 2.935,1125 2.823,1126 4.018,1127 2.832,1128 2.871,1129 2.915,1130 2.781,1131 2.712,1132 3.953,1133 2.71,1134 2.761,1135 2.828,1136 2.686,1137 2.611,1138 3.792,1139 2.606,1140 0.169,1141 0.118,1142 0.245,1143 0.15,1144 0.116,1145 4.744,1146 0.173,1147 3.295,1148 0.031,1149 6.86,1150 0.41,1151 4.194,1152 0.109,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.045,1158 1.922,1159 1.898,1160 1.996,1161 2.055,1162 1.116,1163 2.037,1164 1.875,1165 1.854,1166 1.953,1167 1.991,1168 1.063,1169 1.981,1170 1.704,1171 1.688,1172 1.723,1173 1.837,1174 0.931,1175 1.832,1176 1.412,1177 1.36,1178 1.652,1179 1.633,1180 0.832,1181 1.646,1182 1.02,1183 0.998,1184 1.167,1185 1.202,1186 0.286,1187 1.198,1188 0.917,1189 0.873,1190 1.082,1191 1.066,1192 0.2,1193 1.09,1194 0.857,1195 0.803,1196 1.027,1197 1.038,1198 0.087,1199 1.057,1200 0.785,1201 0.73,1202 0.905,1203 0.959,1204 0.055,1205 0.994,1206 4.043,1208 5.38,1209 2.398,1210 6.93,1211 4.844,1212 8.576,1213 7.066,1214 10.269,1222 1.15,1223 3.354,1224 11.186,1231 25.81,1232 63.611,1233 136.101,1234 160.508,1235 174.117,1236 176.117,1237 178.117,1238 24.726,1239 7.999,1240 69.16,1241 97.4,1242 29,1243 12.646,1244 4.459,1245 3.524,1246 30.368,1247 81,1248 76,1249 0.184,1250 156.827,1251 253.59,1252 374.419,1253 35359,1255 15.933,1256 0.664,1257 0.556,1258 16.286,1259 13.339,1260 11.882,1261 0.424,1262 0.298,1263 7.472,1264 10.934,1265 7.301,1266 5.967,1267 12.29,1268 8.349,1269 10.682,1270 0.267,1271 0.159,1272 11.298,1273 6.341,1274 9.645,1275 0.169,1276 0.087,1277 10.504,1278 4.943,1279 8.64,1280 0.108,1281 0.047,1282 9.617,1283 3.8,1284 7.498,1285 0.071,1286 0.025,1287 8.447,1288 2.672,1289 0.284,1290 78.962,1291 0.224,1292 23.202,1293 0.514,1294 136,1295 417.6,1296 176.592,1297 418.92,1298 591.24,1299 398,1300 165,1301 435.3,1302 206.245,1303 452.299,1304 674.57,1305 428,1306 5} {0 CHEMBL2153529,1 1.887,2 8.636,3 4.493,4 20.19,5 88.429,6 12.508,7 0.84,8 3.576,9 3.658,10 3.627,11 3.305,12 4.832,13 3.274,14 4.029,15 4.13,16 4.095,17 3.702,18 5.311,19 3.652,20 4.209,21 4.345,22 4.174,23 3.744,24 5.497,25 3.68,26 4.148,27 4.303,28 4.056,29 3.611,30 5.454,31 3.54,32 3.987,33 4.153,34 3.749,35 3.436,36 5.279,37 3.378,38 3.914,39 4.056,40 3.764,41 3.417,42 5.209,43 3.361,44 3.863,45 4.035,46 3.688,47 3.286,48 5.176,49 3.207,50 3.593,51 3.773,52 3.875,53 3.134,54 4.888,55 3.001,56 0.09,57 0.511,58 0.852,59 2.005,60 4.736,61 1.83,62 0.191,63 0.847,64 1.895,65 3.491,66 11.45,67 3.035,68 0.33,69 1.064,70 16.455,71 5.53,72 25.059,73 4.61,74 0.387,75 0.997,76 18.601,77 6.105,78 32.83,79 4.626,80 0.307,81 0.851,82 9.232,83 4.471,84 27.671,85 4.031,86 0.224,87 0.799,88 10.476,89 4.172,90 14.816,91 3.06,92 0.287,93 0.751,94 8.653,95 4.227,96 26.299,97 3.61,98 0.199,99 0.517,100 15.063,101 3.683,102 17.5,103 3.376,104 5,105 36,106 0.347,107 0.681,108 0.83,109 0.902,110 0.902,111 0.902,112 3.148,113 0.964,114 -4.92,115 -4.83,116 -4.53,117 1,119 50,133 5,134 1,135 3,136 1,137 1,138 1,139 1,143 1,150 1,159 3,161 1,162 4,164 1,166 1,168 5,172 4,176 3,178 3,181 1,182 3,185 1,187 1,190 1,193 1,194 3,197 1,199 2,202 1,206 2,211 1,213 3,217 4,224 3,229 2,237 4,242 1,250 3,255 594,256 15.085,257 15.085,258 15.085,259 15.085,260 15.085,261 12.574,262 11.087,263 8.822,264 15.703,265 12.364,266 12.364,267 12.364,268 12.364,269 12.364,270 8.654,271 16.722,272 4.202,273 13.502,274 3.02,275 1.201,276 0.387,280 3.849,284 1,285 424,286 2.236,288 30.11,289 145.644,291 123.093,295 1.215,296 21.875,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47.25,307 190,308 4.745,309 3.309,310 6.861,311 4.195,312 3.261,313 4.842,314 0.4,315 11.469,316 3.046,317 4.248,318 3.189,319 6.135,320 3.812,321 2.872,322 3.899,324 8.993,325 2.686,326 3.963,327 2.733,328 5.914,329 3.452,330 2.518,331 3.623,333 8.155,334 2.34,335 3.479,336 2.562,337 5.172,338 2.975,339 2.108,340 2.852,342 6.045,343 1.78,344 3.357,345 2.022,346 4.95,347 2.794,348 1.899,349 2.718,351 5.685,352 1.621,353 3.064,354 1.785,355 4.503,356 2.497,357 1.591,358 2.332,360 4.283,361 1.42,362 2.842,363 1.564,364 4.111,365 2.376,366 1.43,367 1.99,369 3.585,370 1.339,371 2.818,372 1.325,373 3.812,374 2.246,375 1.322,376 1.964,378 3.057,379 1.212,380 2.65,381 1.209,382 3.601,383 2.12,384 1.176,385 1.72,386 2.834,387 1.101,388 2,389 0.76,390 3.216,391 1.46,392 0.581,393 0.799,394 1.443,395 0.494,396 1.578,397 0.465,398 2.923,399 1.121,400 0.255,401 0.33,402 0.615,403 0.203,404 1.066,405 0.229,406 2.416,407 0.575,408 -0.315,409 -0.415,411 -0.778,412 -0.239,413 0.799,414 -0.103,415 2.359,416 0.316,417 -0.515,418 -0.621,420 -1.242,421 -0.338,422 0.797,423 -0.662,424 2.325,425 0.227,426 -0.701,427 -1.051,429 -1.78,430 -0.632,431 0.618,432 -0.701,433 2.136,434 0.076,435 -0.818,436 -1.129,438 -2.131,439 -0.698,440 11.552,441 0.525,442 0.538,443 0.024,444 33.25,445 1.511,446 18.5,447 0.841,448 14.75,449 0.67,450 15.862,451 0.721,452 20.848,453 0.695,454 19.672,455 0.894,456 6.188,457 0.281,458 4.532,459 0.206,460 0.14,462 0.346,464 1,466 0.666,467 0.922,468 0.474,469 0.636,470 0.549,471 0.637,472 0.716,473 0.908,474 0.599,475 0.749,476 0.635,477 0.756,478 0.993,479 1.143,480 1.027,481 1.074,482 0.97,483 0.988,484 1.222,485 1.119,486 0.91,487 1.16,488 1.253,489 1.067,490 0.817,491 0.905,492 0.466,493 0.909,494 0.851,495 0.973,496 1.134,497 1.178,498 0.805,499 1.059,500 1.051,501 1.025,502 1.162,503 1.035,504 0.773,505 1.024,506 1.28,507 1.1,508 0.758,509 0.752,510 0.94,511 0.656,512 0.745,513 0.858,514 4,515 0.038,516 2.667,517 1.764,518 1.244,519 0.441,520 0.394,521 0.373,522 0.121,523 0.126,524 5001,525 18321,526 2.176,527 26.7,529 5,531 2,532 1,536 1.647,537 2.063,538 3.107,539 -0.22,541 1,545 56.603,546 1.887,547 3.706,548 4.52,549 4.907,550 4.907,551 4.907,552 2.487,553 4.278,554 4.434,555 3.21,556 741.416,557 7.623,558 7881.89,560 1,562 1,563 147.207,564 1.322,565 4.403,566 0.16,567 0.009,568 0.074,569 0.049,570 0.041,571 0.017,572 0.016,573 0.019,574 0.008,575 0.011,576 0.404,577 0.33,578 1,579 0.517,580 99.56,581 -0.085,582 -0.081,583 -0.005,584 0.025,585 -0.064,586 0.027,587 -0.022,588 -0.013,589 -0.005,590 0.017,591 -0.026,592 -0.026,593 -0.036,594 -0.159,595 -0.095,596 -0.12,597 -0.042,598 -0.088,599 -0.09,600 -0.028,601 -0.072,602 -0.137,603 -0.079,604 -0.11,605 0.11,606 0.076,607 0.012,608 -0.042,609 0.065,610 -0.029,611 -0.177,612 -0.175,613 -0.093,614 -0.149,615 -0.106,616 -0.138,617 -0.019,618 0.024,619 -0.009,620 -0.058,621 -0.037,622 -0.08,623 0.17,624 0.122,625 0.281,626 0.368,627 0.182,628 0.266,629 2.014,630 5.996,631 0.864,632 15,633 1.029,634 1.111,635 3.69,636 13.614,637 0.808,638 3.258,639 3.611,640 3.932,641 4.248,642 4.511,643 4.585,644 4.727,645 4.905,646 4.905,647 4.956,648 5.122,649 0.775,650 375.24,651 3.258,652 4.812,653 5.687,654 6.586,655 7.48,656 8.386,657 9.288,658 10.197,659 11.103,660 12.014,661 13.3,669 1,671 3,674 4,675 7,676 3,679 1,680 4,682 21,692 1,698 2,699 30,700 21,701 1,702 25,703 1,704 33,705 15,706 15,707 3,708 3,710 4,711 7,721 15,733 1,734 1,736 8,737 5,738 1,739 7,740 2,743 4,747 0.5,754 1,755 1,759 1,760 3,762 2,777 2,779 1,780 1,783 1,785 22,790 1,797 1,800 2,808 10.667,809 5.636,810 4.722,811 1.692,812 4.338,813 1.585,814 1.082,815 3.416,816 11.75,817 3.597,818 4.314,819 5.012,820 5.71,821 6.341,822 6.731,823 7.226,824 7.752,825 8.018,826 8.402,827 0.833,828 36,829 8.096,831 3.549,832 7.837,833 15.206,835 12.67,837 2.337,838 51.417,842 82.398,843 119.366,844 114.321,847 14.96,848 31.278,849 134.042,850 82.398,851 83.327,854 47.381,855 74.216,856 55.327,857 18.034,858 90.133,859 45.954,860 82.398,861 156.455,862 14.96,863 31.278,864 45.954,865 97.358,869 38.138,870 67.961,871 50.357,872 77.232,873 97.358,874 68.367,875 165.32,878 82.398,879 54.318,880 65.047,881 63.965,882 65.317,883 82.398,884 83.327,885 165.32,887 0.587,888 0.35,889 0.199,890 0.112,891 20,892 8,893 0.061,894 2,895 2,896 1.211,897 3.446,898 183.729,899 0.211,900 19,901 98.107,902 1,904 13.83,905 5.434,906 2.451,907 3.545,908 83.327,909 11.909,910 12.908,913 1.486,914 1.289,916 18.011,917 331.045,918 35.5,926 30.876,927 33.34,928 0.385,929 0.755,930 0.921,931 1,932 1,933 1,934 4.822,935 1.322,936 5.68,937 3.585,938 4.29,939 5.001,940 0.278,941 6.526,942 4.12,943 6.07,944 1.176,945 7.256,946 3.057,947 3.892,948 4.913,950 7.476,951 3.601,952 7.405,953 0.581,954 8.934,955 2.834,956 5.911,957 7.367,958 0.05,959 10.619,960 5.607,961 8.781,962 0.255,963 10.672,964 1.443,965 6.347,966 8.145,968 12.43,969 5.941,970 10.19,971 -0.315,972 12.45,973 0.615,974 7.84,975 10.059,976 0.008,977 15.089,978 7.413,979 11.626,980 -0.515,981 14.255,982 -0.778,983 8.67,984 11.259,986 17.259,987 8.152,988 13.082,989 -0.701,990 16.08,991 -1.242,992 9.952,993 12.955,994 0.001,995 19.759,996 9.398,997 3.261,998 -0.818,999 17.922,1000 -1.78,1001 10.965,1002 14.356,1004 22.08,1005 10.328,1006 2.872,1007 11.469,1008 19.775,1009 -2.131,1010 12.166,1011 15.966,1013 24.53,1014 11.48,1015 2.518,1016 8.993,1017 21.639,1018 4.842,1019 13.262,1020 17.461,1022 26.915,1023 12.498,1024 2.108,1025 8.155,1026 23.511,1027 3.899,1028 14.435,1029 19.042,1031 29.351,1032 13.614,1033 1.899,1034 6.045,1035 25.39,1036 3.623,1037 15.569,1038 20.579,1040 31.764,1041 14.675,1042 1.591,1043 5.685,1044 27.275,1045 2.852,1046 16.735,1047 22.151,1049 34.198,1050 15.778,1051 1.43,1052 4.283,1053 29.164,1054 2.718,1055 17.888,1056 23.707,1058 36.625,1059 16.859,1060 4704,1061 9130,1062 17.107,1063 24.245,1064 38.246,1065 38.667,1066 39.034,1067 38.208,1068 38.025,1069 54.14,1070 0.8,1071 112.326,1072 34.483,1073 5.515,1074 5.309,1075 6.542,1076 5.327,1077 5.261,1078 7.842,1079 0.8,1080 18.845,1081 5.046,1082 8.228,1083 1.53,1084 1.547,1085 1.561,1086 1.528,1087 1.521,1088 2.166,1089 0.032,1090 4.493,1091 1.379,1092 4.149,1093 4.165,1094 6.88,1095 4.134,1096 8.201,1097 4.094,1098 3.901,1099 3.925,1100 4.392,1101 3.851,1102 5.122,1103 3.837,1104 3.611,1105 3.664,1106 3.793,1107 3.469,1108 4.788,1109 3.48,1110 3.084,1111 3.139,1112 3.551,1113 3.024,1114 4.646,1115 2.971,1116 3.041,1117 3.083,1118 3.34,1119 2.941,1120 4.112,1121 2.903,1122 2.898,1123 2.957,1124 2.924,1125 2.733,1126 3.975,1127 2.734,1128 2.792,1129 2.85,1130 2.809,1131 2.689,1132 3.837,1133 2.667,1134 2.602,1135 2.655,1136 2.692,1137 2.445,1138 3.646,1139 2.446,1140 0.19,1141 0.132,1142 0.274,1143 0.168,1144 0.13,1145 4.745,1146 0.194,1147 3.309,1148 0.016,1149 6.861,1150 0.459,1151 4.195,1152 0.122,1153 3.261,1154 4.842,1155 0.4,1156 11.469,1157 3.046,1158 1.916,1159 1.889,1160 1.974,1161 2.037,1162 1.086,1163 2.02,1164 1.864,1165 1.843,1166 1.921,1167 1.954,1168 1.044,1169 1.956,1170 1.697,1171 1.681,1172 1.69,1173 1.808,1174 0.843,1175 1.809,1176 1.032,1177 1.003,1178 1.138,1179 1.219,1180 0.288,1181 1.214,1182 0.936,1183 0.91,1184 1.107,1185 1.068,1186 0.189,1187 1.08,1188 0.86,1189 0.805,1190 1.043,1191 1.039,1192 0.117,1193 1.069,1194 0.842,1195 0.787,1196 0.882,1197 0.979,1198 0.049,1199 1.026,1200 0.557,1201 0.491,1202 0.787,1203 0.76,1205 0.784,1206 3.932,1208 5.273,1209 2.398,1210 6.819,1211 4.844,1212 8.459,1213 7.066,1214 10.145,1215 3.245,1218 13.996,1223 3.039,1231 23.262,1232 56.603,1233 111.191,1234 135.597,1235 147.207,1236 147.207,1237 147.207,1238 29.556,1239 7.412,1240 50.7,1241 78.94,1242 23,1243 12.53,1244 4.459,1245 3.524,1246 29.854,1247 67,1248 70,1249 0.222,1250 150.156,1251 239.12,1252 358.14,1253 16131,1254 6.7,1255 15.104,1256 0.687,1257 0.611,1258 15.587,1259 13.45,1260 10.72,1261 0.429,1262 0.321,1263 6.455,1264 9.352,1265 6.233,1266 5.113,1267 11.295,1268 8.035,1269 9.854,1270 0.274,1271 0.181,1272 10.757,1273 6.522,1274 8.575,1275 0.172,1276 0.096,1277 9.568,1278 4.816,1279 7.494,1280 0.109,1281 0.052,1282 8.33,1283 3.593,1284 6.291,1285 0.07,1286 0.028,1287 7.573,1288 2.508,1289 0.338,1290 79.413,1291 0.242,1292 21.324,1293 0.636,1294 122,1295 420.894,1296 225.208,1297 445.64,1298 600.04,1299 416,1300 147,1301 403.457,1302 212.735,1303 432.931,1304 640.81,1305 408,1306 6.051} {0 CHEMBL2153530,1 1.908,2 8.875,3 3.166,4 10.026,5 89.609,6 10.284,7 0.778,8 3.687,9 3.767,10 3.558,11 3.297,12 5.042,13 3.304,14 4.116,15 4.206,16 3.972,17 3.691,18 5.585,19 3.685,20 4.303,21 4.429,22 4.057,23 3.742,24 5.635,25 3.736,26 4.345,27 4.488,28 3.915,29 3.67,30 5.855,31 3.642,32 4.198,33 4.362,34 3.701,35 3.516,36 5.573,37 3.482,38 4.061,39 4.207,40 3.581,41 3.44,42 5.358,43 3.405,44 3.99,45 4.156,46 3.54,47 3.323,48 5.364,49 3.294,50 3.846,51 3.978,52 3.59,53 3.138,54 5.321,55 3.183,56 0.216,57 0.549,58 2.939,59 2.529,60 14.11,61 2.023,62 0.335,63 0.862,64 5.128,65 4.123,66 46.05,67 3.369,68 0.403,69 1.019,70 9.145,71 5.092,72 34.506,73 4.365,74 0.649,75 1.001,76 14.538,77 6.273,78 89.436,79 5.202,80 0.515,81 0.866,82 12.253,83 5.165,84 52.917,85 4.597,86 0.402,87 0.765,88 9.696,89 4.428,90 49.233,91 3.274,92 0.368,93 0.698,94 9.319,95 4.053,96 38.281,97 3.966,98 0.29,99 0.578,100 8.178,101 3.595,102 29.659,103 2.82,104 11,105 39,106 0.341,107 0.684,108 0.827,109 0.89,110 0.89,111 0.89,112 3.229,113 0.853,114 -3.46,115 -3.44,116 -3.28,119 45.5,133 5,134 1,135 3,136 1,137 1,138 1,139 1,143 1,150 1,155 2,159 3,161 2,162 5,164 1,166 3,168 3,172 7,174 1,176 4,178 2,181 1,182 7,185 4,187 1,190 1,193 1,194 4,197 3,198 1,199 1,202 2,205 1,206 3,211 1,213 3,216 2,217 4,220 1,224 3,228 1,229 4,234 1,237 3,241 3,242 3,245 1,247 1,250 1,255 754,256 16.292,257 16.292,258 16.292,259 16.292,260 16.292,261 13.529,262 14.828,263 9.479,264 16.784,265 13.338,266 13.338,267 13.338,268 13.338,269 13.338,270 9.231,271 24.667,272 4.484,273 14.192,274 3.136,275 1.213,276 0.412,277 0.061,278 0.061,279 0.061,280 3.928,283 1,284 1,285 468,286 2.828,288 34.87,289 167.102,291 141.844,295 1.313,296 31.618,298 1,299 1,300 1,301 1,302 0.4,304 0.83,305 0.75,306 53.5,307 213,308 4.745,309 3.807,310 6.86,311 4.194,312 3.26,313 4.842,314 2.612,315 11.466,316 3.045,317 4.407,318 3.281,319 6.368,320 3.941,321 2.977,322 4.136,323 0.4,324 9.573,325 2.865,326 4.012,327 2.846,328 6.007,329 3.538,330 2.598,331 3.656,333 8.52,334 2.437,335 3.691,336 2.631,337 5.327,338 3.171,339 2.214,340 3.169,342 6.687,343 2.116,344 3.415,345 2.26,346 5.079,347 2.838,348 1.905,349 2.814,351 5.778,352 1.779,353 3.297,354 1.899,355 4.695,356 2.753,357 1.824,358 2.598,360 4.746,361 1.678,362 3.052,363 1.583,364 4.44,365 2.483,366 1.567,367 2.318,369 4.119,370 1.417,371 2.822,372 1.362,373 3.812,374 2.246,375 1.323,376 1.983,378 3.059,379 1.212,380 2.656,381 1.325,382 3.61,383 2.126,384 1.184,385 1.728,386 2.84,387 1.109,388 2.607,389 1.212,390 3.6,391 2,392 1,393 1.596,394 2.424,395 1,396 1.989,397 1,398 3.208,399 1.435,400 0.553,401 0.774,402 1.39,403 0.48,404 1.49,405 0.668,406 2.9,407 1.074,408 0.165,409 0.212,411 0.401,412 0.148,413 1.092,414 0.42,415 2.415,416 0.636,417 -0.277,418 -0.361,420 -0.678,421 -0.25,422 1,423 -0.051,424 2.324,425 0.237,426 -0.7,427 -1.003,429 -1.78,430 -0.631,431 0.799,432 -0.564,433 2.301,434 0.206,435 -0.732,436 -1.051,438 -2,439 -0.68,440 11.333,441 0.472,442 0.627,443 0.026,444 38.5,445 1.604,446 22,447 0.917,448 16.5,449 0.688,450 14.284,451 0.595,452 24.067,453 0.729,454 26.453,455 1.102,456 7.45,457 0.31,458 4.181,459 0.174,460 0.088,462 0.388,466 0.644,467 1.024,468 0.641,469 0.7,470 0.645,471 0.672,472 0.595,473 1.041,474 0.751,475 0.902,476 0.458,477 0.835,478 0.824,479 1.3,480 0.855,481 1.091,482 0.676,483 0.986,484 0.954,485 0.973,486 1.282,487 1.096,488 0.845,489 1.063,490 0.9,491 0.875,492 1.174,493 0.95,494 0.948,495 1.032,496 1.2,497 0.999,498 1.359,499 1.027,500 1.119,501 1.091,502 0.684,503 0.99,504 0.982,505 1.027,506 0.626,507 1.053,508 1.087,509 1.08,510 0.768,511 1.254,512 1.179,513 0.946,514 4.5,515 0.084,516 2.889,517 2.139,518 1.324,519 0.511,520 0.494,521 0.327,522 0.219,523 0.252,524 6295,525 23585,526 2.135,527 27.3,529 5,531 2,532 2,536 1.67,537 2,538 3.175,539 0.42,541 1,543 1,545 62.968,546 1.908,547 3.832,548 4.632,549 4.984,550 4.984,551 4.984,552 2.519,553 4.252,554 4.561,555 3.318,556 915.648,557 7.874,558 10527.2,559 1,560 1,561 1,562 1,563 166.465,564 1.406,565 4.518,566 0.167,567 0.008,568 0.074,569 0.053,570 0.038,571 0.018,572 0.019,573 0.014,574 0.01,575 0.015,576 0.415,577 0.5,578 1,579 0.757,580 112.711,581 0.042,582 0.024,583 0.016,584 0.147,585 -0.08,586 0.074,587 0.09,588 0.004,589 0.034,590 0.018,591 0.155,592 -0.034,593 -0.059,594 -0.282,595 0.086,596 -0.122,597 -0.029,598 -0.072,599 0.042,600 0.018,601 -0.161,602 -0.03,603 0.133,604 -0.063,605 0.005,606 0.119,607 -0.133,608 0.045,609 -0.044,610 -0.013,611 -0.321,612 0.011,613 -0.344,614 -0.021,615 -0.264,616 -0.132,617 0.135,618 -0.015,619 0.035,620 -0.047,621 0.115,622 -0.011,623 -0.028,624 -0.121,625 0.276,626 -0.244,627 -0.078,628 0.028,629 2.639,630 3.942,631 0.792,632 17.319,633 1.04,634 1.117,635 2.228,636 4.964,637 0.744,638 3.332,639 3.689,640 4.007,641 4.317,642 4.564,643 4.635,644 4.812,645 4.97,646 4.977,647 5.088,648 5.554,649 0.742,650 339.36,651 3.332,652 4.89,653 5.765,654 6.666,655 7.56,656 8.465,657 9.366,658 10.273,659 11.179,660 12.088,661 15.2,669 1,671 3,672 1,674 4,675 7,676 3,679 1,680 4,682 21,692 1,694 1,696 1,699 33,700 23,701 1,702 27,704 36,705 15,706 15,707 3,708 3,710 4,711 7,721 15,724 2,726 1,728 2,732 1,733 1,736 9,737 7,738 2,739 9,740 1,743 5,747 0.5,748 3,754 1,755 1,759 1,760 3,762 2,777 2,779 1,785 24,788 1,790 1,797 1,801 9.1,803 1,807 2,808 12,809 6.083,810 5.167,811 1.788,812 4.525,813 1.596,814 1.014,815 3.561,816 12.113,817 3.701,818 4.416,819 5.089,820 5.782,821 6.399,822 6.785,823 7.301,824 7.796,825 8.07,826 8.497,827 0.833,828 40,829 8.81,831 3.911,832 8.111,833 16.121,835 13.327,837 2.611,838 62.667,842 82.398,843 109.946,844 74.037,846 93.43,848 31.278,849 78.669,850 175.828,851 74.037,852 5.67,854 47.381,855 116.899,856 45.907,857 3.074,858 90.133,859 50.747,860 82.398,861 152.706,862 93.43,863 31.278,865 82.398,866 42.683,867 50.747,869 38.138,870 58.541,871 56.027,872 31.278,873 82.398,874 167.468,875 109.946,878 82.398,879 44.899,880 70.717,881 18.011,882 143.787,883 82.398,884 167.468,885 109.946,887 0.589,888 0.353,889 0.199,890 0.108,891 21,892 9,893 0.083,894 3,895 2,896 1.211,897 3.588,898 205.712,899 0.211,900 19,901 108.039,902 1,904 14.876,905 5.745,906 2.594,907 3.35,908 161.798,909 10.985,910 12.841,913 1.439,914 0.223,916 60.694,917 359.812,918 39.5,920 -0.639,922 21.884,926 34.335,927 36.87,928 0.378,929 0.76,930 0.918,931 0.988,932 0.988,933 0.988,934 4.929,935 1.323,936 5.765,937 4.119,938 4.369,939 5.103,940 2.527,941 6.619,942 4.248,943 6.184,944 1.184,945 7.349,946 3.059,947 4.007,948 5.075,949 2.361,950 7.594,951 3.834,952 7.525,953 1,954 9.035,955 2.84,956 5.999,957 7.472,958 4.155,959 10.728,960 5.767,961 8.907,962 0.553,963 10.78,964 2.424,965 6.463,966 8.288,967 4.506,968 12.548,969 6.17,970 10.321,971 0.165,972 12.564,973 1.39,974 7.938,975 10.164,976 5.948,977 15.199,978 7.597,979 11.759,980 -0.277,981 14.375,982 0.401,983 8.783,984 11.379,985 6.556,986 17.366,987 8.373,988 13.217,989 -0.7,990 16.205,991 -0.678,992 10.057,993 13.053,994 7.794,995 19.857,996 9.597,997 3.26,998 -0.732,999 18.049,1000 -1.78,1001 11.076,1002 14.456,1003 8.548,1004 22.171,1005 10.545,1006 2.977,1007 11.466,1008 19.905,1009 -2,1010 12.271,1011 16.053,1012 9.67,1013 24.611,1014 11.687,1015 2.598,1016 9.573,1017 21.77,1018 4.842,1019 13.368,1020 17.544,1021 10.509,1022 26.987,1023 12.714,1024 2.214,1025 8.52,1026 23.643,1027 4.136,1028 14.537,1029 19.115,1030 11.563,1031 29.415,1032 13.824,1033 1.905,1034 6.687,1035 25.521,1036 3.656,1037 15.67,1038 20.646,1039 12.452,1040 31.82,1041 14.887,1042 1.824,1043 5.778,1044 27.405,1045 3.169,1046 16.832,1047 22.211,1048 13.468,1049 34.246,1050 15.986,1051 1.567,1052 4.746,1053 29.293,1054 2.814,1055 17.981,1056 23.762,1057 14.386,1058 36.665,1059 17.067,1060 5976,1061 11706,1062 18.205,1063 24.563,1064 41.253,1065 42.752,1066 42.48,1067 41.112,1068 41.139,1069 59.649,1070 6.025,1071 122.008,1072 38.575,1073 5.514,1074 5.807,1075 6.541,1076 5.326,1077 5.26,1078 7.842,1079 4.612,1080 18.836,1081 5.045,1082 10.776,1083 1.528,1084 1.583,1085 1.573,1086 1.523,1087 1.524,1088 2.209,1089 0.223,1090 4.519,1091 1.429,1092 4.151,1093 4.168,1094 4.393,1095 4.134,1096 7.815,1097 4.095,1098 3.978,1099 3.998,1100 3.958,1101 3.844,1102 6.999,1103 3.858,1104 3.632,1105 3.685,1106 3.589,1107 3.469,1108 6.468,1109 3.483,1110 3.474,1111 3.501,1112 3.446,1113 3.059,1114 5.122,1115 3.148,1116 3.083,1117 3.131,1118 3.338,1119 2.998,1120 4.789,1121 2.951,1122 3.043,1123 3.083,1124 3.002,1125 2.841,1126 4.59,1127 2.859,1128 2.809,1129 2.862,1130 2.772,1131 2.662,1132 4.043,1133 2.658,1134 2.657,1135 2.718,1136 2.535,1137 2.43,1138 3.963,1139 2.451,1140 0.176,1141 0.141,1142 0.254,1143 0.155,1144 0.121,1145 4.745,1146 0.179,1147 3.807,1148 0.097,1149 6.86,1150 0.425,1151 4.194,1152 0.113,1153 3.26,1154 4.842,1155 2.612,1156 11.466,1157 3.045,1158 1.928,1159 1.903,1160 1.996,1161 2.094,1162 1.094,1163 2.054,1164 1.881,1165 1.857,1166 1.952,1167 2.007,1168 1.05,1169 1.988,1170 1.704,1171 1.687,1172 1.696,1173 1.846,1174 0.843,1175 1.831,1176 1.202,1177 1.171,1178 1.282,1179 1.647,1180 0.287,1181 1.548,1182 1.023,1183 0.999,1184 1.174,1185 1.257,1186 0.213,1187 1.229,1188 0.934,1189 0.9,1190 1.058,1191 1.04,1192 0.14,1193 1.082,1194 0.849,1195 0.791,1196 0.93,1197 1.021,1198 0.05,1199 1.045,1200 0.585,1201 0.52,1202 0.836,1203 0.895,1205 0.887,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1221 9.537,1223 3.046,1231 24.492,1232 62.968,1233 126.449,1234 152.855,1235 164.465,1236 164.465,1237 164.465,1238 39.505,1239 7.588,1240 116.75,1241 144.99,1242 23,1243 12.604,1244 4.585,1245 3.755,1246 33.833,1247 80,1248 66,1249 0.21,1250 152.899,1251 248.5,1252 364.834,1253 20179,1255 16.681,1256 0.695,1257 0.534,1258 17.035,1259 12.819,1260 11.631,1261 0.431,1262 0.284,1263 6.807,1264 10.631,1265 6.65,1266 5.479,1267 12.039,1268 7.676,1269 10.763,1270 0.276,1271 0.152,1272 11.378,1273 5.943,1274 9.22,1275 0.171,1276 0.085,1277 10.079,1278 4.573,1279 8.046,1280 0.109,1281 0.046,1282 9.023,1283 3.426,1284 6.703,1285 0.071,1286 0.025,1287 7.652,1288 2.361,1289 0.323,1290 78.115,1291 0.234,1292 23.074,1293 0.592,1294 132,1295 471.394,1296 173.787,1297 475.924,1298 643.56,1299 440,1300 159,1301 466.786,1302 200.75,1303 482.017,1304 706.21,1305 452,1306 5} {0 CHEMBL2153531,1 1.72,2 5,3 1.612,4 2.598,5 56.479,6 10.113,7 0.938,8 3.187,9 3.289,10 3.093,11 2.872,12 4.445,13 2.841,14 3.608,15 3.729,16 3.51,17 3.268,18 4.846,19 3.207,20 3.691,21 3.827,22 3.582,23 3.242,24 4.909,25 3.182,26 3.563,27 3.714,28 3.171,29 3.062,30 4.752,31 2.961,32 3.364,33 3.584,34 2.56,35 2.626,36 4.525,37 2.53,38 2.977,39 3.203,40 2.058,41 2.167,42 4.164,43 2.096,44 2.679,45 3.011,46 0.655,47 1.572,48 3.434,49 1.297,50 1.693,51 2.115,52 0.035,53 0.545,54 1.792,55 0.298,56 0.05,57 0.357,58 2.082,59 1.472,60 5.939,61 1.251,62 0.114,63 0.56,64 4.124,65 2.549,66 10.392,67 2.295,68 0.137,69 0.632,70 7.7,71 3.063,72 9.29,73 2.599,74 0.101,75 0.517,76 7.758,77 3.227,78 9.893,79 2.855,80 0.137,81 0.403,82 6.692,83 2.433,84 12.366,85 2.324,86 0.076,87 0.259,88 2.417,89 1.187,90 7.767,91 1.121,92 0.075,93 0.161,94 4,95 1.376,96 9.313,97 1.686,98 0.029,99 0.042,100 2.872,101 0.764,102 3.684,103 1.136,104 2,105 23,106 0.352,107 0.673,108 0.824,109 0.865,110 0.865,111 0.865,112 2.739,113 0.921,114 -2.19,115 -2.23,116 -2.2,119 45,133 2,136 1,137 2,138 1,139 1,143 2,152 1,153 1,154 1,159 1,161 1,162 1,163 1,164 1,168 1,171 1,172 4,176 1,178 1,180 1,182 1,184 1,185 1,193 1,194 2,196 1,197 1,199 1,204 1,206 1,211 1,215 1,255 128,256 9.707,257 9.707,258 9.707,259 9.707,260 9.707,261 7.972,262 3.162,263 5.704,264 10.074,265 7.91,266 7.91,267 7.91,268 7.91,269 7.91,270 5.353,271 2.5,272 2.695,273 8.547,274 2.602,275 1.038,276 0.3,277 0.1,278 0.1,279 0.1,280 3.411,284 1,285 155,286 1.581,288 15.39,289 44.908,291 63.477,295 0.714,296 10.347,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 30,307 70,308 4.738,309 3.258,310 6.843,311 4.178,312 3.247,313 4.838,315 11.378,316 3.017,317 3.956,318 2.549,319 5.906,320 3.441,321 2.5,322 3.623,324 8.034,325 2.34,326 3.379,327 1.926,328 5.111,329 2.829,330 1.902,331 2.795,333 5.782,334 1.76,335 3.057,336 1.584,337 4.349,338 2.464,339 1.571,340 2.326,342 3.955,343 1.388,344 2.822,345 1.325,346 3.811,347 2.24,348 1.323,349 1.983,351 3.054,352 1.206,353 2.649,354 1.2,355 3.598,356 2.121,357 1.176,358 1.719,360 2.812,361 1.104,362 1.955,363 0.531,364 3.089,365 1.357,366 0.492,367 0.709,369 1.19,370 0.418,371 1.09,372 -0.199,373 2.416,374 0.602,375 -0.301,376 -0.402,378 -0.687,379 -0.27,380 0.799,381 -0.701,382 2.281,383 0.223,384 -0.701,385 -1.051,386 -1.78,387 -0.631,388 0.587,389 -0.867,390 2,391 0.047,392 -0.889,393 -1.298,394 -2.21,395 -0.83,396 0.313,397 -1.157,398 2,399 -0.245,400 -1.176,401 -1.719,402 -3.298,403 -1.092,404 -0.059,405 -1.289,406 1.451,407 -0.454,408 -1.377,409 -1.89,411 -3.576,412 -1.269,413 -0.371,414 -1.862,415 1.259,416 -0.889,417 -1.865,418 -2.79,420 -5.268,421 -1.518,422 -0.416,423 -1.898,424 1.096,425 -1.037,426 -1.902,427 -2.844,429 -5.893,430 -1.784,431 -0.5,432 -2,433 0.473,434 -1.071,435 -2,436 -3,438 -6.21,439 -1.891,440 6.933,441 0.495,442 0.312,443 0.022,444 22.25,445 1.589,446 12.5,447 0.893,448 9.75,449 0.696,450 7.263,451 0.519,452 13.467,453 0.673,454 11.282,455 0.806,456 4.191,457 0.299,458 2.669,459 0.191,460 0.058,462 0.361,466 1.062,467 1.028,468 0.666,469 0.67,470 1.177,471 0.624,472 0.847,473 0.791,474 0.779,475 0.689,476 0.728,477 0.654,478 0.852,479 1.268,480 1.028,481 1.241,482 0.875,483 0.904,484 0.953,485 1.236,486 1.45,487 1.429,488 0.915,489 1.266,490 1.102,491 0.892,492 1.271,493 1.16,494 0.87,495 1.294,496 1.592,497 1.141,498 0.9,499 0.926,500 1.677,501 1.409,502 1.174,503 0.585,504 0.887,505 0.769,506 1.647,507 1.322,514 2,516 1.778,517 1.326,518 0.671,519 0.181,520 0.08,524 1290,525 4095,526 2.2,527 30,529 2,531 2,532 2,536 1.515,537 2.1,538 2.447,539 0.616,543 1,545 34.399,546 1.72,547 3.284,548 4.022,549 4.222,550 4.222,551 4.222,552 1.577,553 3.522,554 3.786,555 2.439,556 221.921,557 6.335,558 1691.56,560 1,563 86.439,564 1.264,565 3.757,566 0.125,568 0.077,569 0.06,570 0.042,571 0.02,572 0.016,576 0.341,577 0.67,578 1,579 0.544,580 50.769,581 -0.254,582 -0.033,583 0.017,584 0.117,585 -0.316,586 0.094,587 0.02,588 0.226,589 0.077,590 0.218,591 0.011,592 0.138,593 0.107,594 -0.249,595 0.094,596 -0.175,597 -0.013,598 -0.027,599 -0.074,600 -0.272,601 -0.34,602 -0.359,603 0.024,604 -0.33,605 -0.031,606 0.042,607 -0.345,608 -0.246,609 0.138,610 -0.288,611 -0.484,612 -0.245,613 -0.293,614 -0.253,615 -0.439,616 -0.485,617 -0.135,618 0.143,619 0.115,620 0.194,621 -0.371,622 0.086,623 0.962,624 0.501,625 1.545,626 1.364,627 1.118,628 2.091,629 1.141,630 1.752,631 0.929,632 5.735,633 1.018,634 1.116,635 0.959,636 0.919,637 0.772,638 2.833,639 3.178,640 3.526,641 3.85,642 4.078,643 4.094,644 4.143,645 4.19,646 3.85,647 3.611,648 3.26,649 0.74,650 202.26,651 2.833,652 4.369,653 5.252,654 6.155,655 7.059,656 7.969,657 8.879,658 9.792,659 10.704,660 11.617,661 20,665 1,671 3,674 4,675 4,676 3,679 1,680 1,682 15,691 1,699 20,700 15,702 16,704 22,705 9,706 9,710 3,711 6,721 9,736 6,737 4,738 2,739 5,740 1,743 4,747 0.333,754 1,755 1,759 1,760 2,762 2,777 1,779 1,785 14,786 1,797 1,808 6.667,809 3.683,810 3.028,811 1.072,812 3.25,813 1.521,814 1.091,815 1.568,816 9.492,817 3.199,818 3.937,819 4.691,820 5.426,821 6.055,822 6.46,823 6.922,824 7.371,825 7.403,826 7.582,827 0.5,828 22,829 5.107,830 0.002,831 2.207,832 7.726,833 9.672,834 0.001,835 8.046,837 2.226,838 31.167,839 0.005,842 47.084,843 76.004,844 83.254,848 31.278,849 44.726,850 47.084,851 83.254,854 51.85,855 73.899,856 21.954,857 3.82,858 54.82,860 47.084,861 127.98,863 31.278,865 47.084,869 21.954,870 55.669,871 50.357,872 31.278,873 47.084,874 83.254,875 76.004,878 47.084,879 39.385,880 36.619,882 83.254,883 47.084,884 83.254,885 76.004,887 0.584,888 0.359,889 0.21,890 0.117,891 14,892 5,895 2,896 1.308,897 2.654,898 97.563,899 0.308,900 13,901 53.303,902 1,904 7.916,905 2.772,906 1.07,907 3.76,908 83.254,909 7.14,910 12.414,913 1.576,914 0.526,916 32.897,917 206.342,918 23.5,926 20.367,927 22.328,928 0.398,929 0.76,930 0.931,931 0.977,932 0.977,933 0.977,934 4.404,935 -0.301,936 5.242,937 1.19,938 3.85,939 4.62,941 6.107,942 3.696,943 5.658,944 -0.701,945 6.828,946 -0.687,947 3.434,948 4.559,950 7.111,951 3.221,952 7,953 -0.889,954 8.521,955 -1.78,956 5.476,957 7.047,959 10.276,960 5.183,961 8.39,962 -1.176,963 10.28,964 -2.21,965 5.943,966 7.892,968 12.155,969 5.575,970 9.818,971 -1.377,972 12.08,973 -3.298,974 7.447,975 9.817,977 14.829,978 7.015,979 11.274,980 -1.865,981 13.908,982 -3.576,983 8.319,984 11.079,986 17.045,987 7.805,988 12.752,989 -1.902,990 15.756,991 -5.268,992 9.613,993 12.783,995 19.558,996 9.036,997 3.247,998 -2,999 17.619,1000 -5.893,1001 10.662,1002 14.228,1004 21.905,1005 10.002,1006 2.5,1007 11.378,1008 19.493,1009 -6.21,1010 11.876,1011 15.848,1013 24.363,1014 11.15,1015 1.902,1016 8.034,1017 21.376,1018 4.838,1019 12.999,1020 17.37,1022 26.761,1023 12.194,1024 1.571,1025 5.782,1026 23.266,1027 3.623,1028 14.186,1029 18.96,1031 29.201,1032 13.311,1033 1.323,1034 3.955,1035 25.161,1036 2.795,1037 15.339,1038 20.514,1040 31.619,1041 14.387,1042 1.176,1043 3.054,1044 27.061,1045 2.326,1046 16.517,1047 22.093,1049 34.053,1050 15.494,1051 0.492,1052 2.812,1053 28.964,1054 1.983,1055 17.684,1056 23.66,1058 36.479,1059 16.585,1060 1272,1061 2355,1062 11.038,1063 15.432,1064 24.551,1065 24.396,1066 25.163,1067 24.398,1068 24.421,1069 35.988,1071 72.41,1072 22.468,1073 5.238,1074 5.258,1075 6.524,1076 5.285,1077 5.247,1078 7.838,1080 18.662,1081 4.966,1082 3.955,1083 1.534,1084 1.525,1085 1.573,1086 1.525,1087 1.526,1088 2.249,1090 4.526,1091 1.404,1092 4.14,1093 4.156,1094 4.391,1095 4.13,1096 5.241,1097 4.086,1098 3.632,1099 3.689,1100 3.577,1101 3.482,1102 4.93,1103 3.496,1104 3.066,1105 3.143,1106 3.325,1107 2.982,1108 4.628,1109 2.936,1110 3.005,1111 3.073,1112 2.934,1113 2.776,1114 3.989,1115 2.786,1116 2.745,1117 2.826,1118 2.655,1119 2.529,1120 3.869,1121 2.539,1122 2.29,1123 2.377,1124 2.263,1125 2.094,1126 3.563,1127 2.062,1128 2.078,1129 2.164,1130 2.044,1131 1.88,1132 3.029,1133 1.85,1134 1.631,1135 1.703,1136 1.729,1137 1.483,1138 2.333,1139 1.413,1140 0.296,1141 0.204,1142 0.428,1143 0.261,1144 0.203,1145 4.738,1146 0.302,1147 3.258,1149 6.843,1150 0.711,1151 4.178,1152 0.189,1153 3.247,1154 4.838,1156 11.378,1157 3.017,1158 1.88,1159 1.85,1160 1.942,1161 2.014,1162 1.027,1163 1.992,1164 1.748,1165 1.732,1166 1.747,1167 1.858,1168 0.885,1169 1.865,1170 1.019,1171 0.988,1172 1.206,1173 1.287,1174 0.277,1175 1.275,1176 0.884,1177 0.828,1178 1.02,1179 1.037,1180 0.032,1181 1.075,1182 0.774,1183 0.677,1184 0.993,1185 0.983,1187 1.017,1188 0.483,1189 0.393,1190 0.687,1191 0.705,1193 0.757,1196 0.315,1197 0.282,1199 0.265,1202 0.023,1203 0.011,1205 0.098,1206 3.497,1208 4.828,1209 2.398,1210 6.382,1211 4.844,1212 8.034,1213 7.066,1214 9.735,1220 5.752,1231 14.8,1232 34.399,1233 65.684,1234 80.439,1235 84.439,1236 84.439,1237 84.439,1238 12.264,1239 6.242,1240 64.69,1241 92.93,1242 17,1243 12.13,1244 4,1245 3.087,1246 18.019,1247 29,1248 19,1249 0.355,1250 95.665,1251 141.15,1252 225.183,1253 3352,1255 9.544,1256 0.682,1257 0.568,1258 9.897,1259 7.953,1260 6.86,1261 0.429,1262 0.307,1263 4.111,1264 6.187,1265 3.968,1266 3.274,1267 7.268,1268 4.914,1269 6.18,1270 0.269,1271 0.171,1272 6.796,1273 3.941,1274 5.57,1275 0.169,1276 0.097,1277 6.464,1278 3.194,1279 4.907,1280 0.107,1281 0.053,1282 5.855,1283 2.433,1284 4.077,1285 0.07,1286 0.028,1287 4.956,1288 1.632,1289 0.502,1290 46.895,1291 0.301,1292 13.6,1293 1.146,1294 78,1295 231.108,1296 109.923,1297 251.051,1298 352.83,1299 236,1300 95,1301 253.982,1302 127.856,1303 274.774,1304 407.25,1305 259,1306 5.222} {0 CHEMBL2153532,1 1.579,2 7.85,3 3.909,4 15.276,5 80.265,6 9.279,7 0.913,8 3.555,9 3.653,10 3.385,11 3.257,12 4.737,13 3.219,14 4.002,15 4.124,16 3.776,17 3.642,18 5.159,19 3.578,20 4.168,21 4.337,22 3.839,23 3.65,24 5.251,25 3.576,26 4.076,27 4.263,28 3.6,29 3.535,30 5.117,31 3.438,32 3.954,33 4.144,34 3.444,35 3.415,36 5.043,37 3.327,38 3.871,39 4.035,40 3.369,41 3.375,42 4.969,43 3.279,44 3.826,45 4.04,46 3.038,47 3.214,48 4.804,49 3.082,50 3.542,51 3.766,52 2.656,53 2.897,54 4.524,55 2.782,56 0.019,57 0.455,58 3.933,59 2.261,60 4.327,61 2.422,62 0.09,63 0.751,64 7.198,65 3.799,66 9.769,67 4.014,68 0.149,69 0.926,70 13.616,71 5.126,72 12.738,73 5.458,74 0.114,75 0.811,76 12.839,77 5.164,78 11.653,79 5.543,80 0.154,81 0.732,82 11.3,83 4.337,84 14.298,85 4.504,86 0.082,87 0.652,88 9.368,89 3.879,90 10.691,91 3.87,92 0.105,93 0.604,94 10.694,95 4.13,96 12.168,97 4.519,98 0.069,99 0.434,100 7.479,101 3.008,102 9.379,103 3.605,105 32,106 0.29,107 0.553,108 0.728,109 0.836,110 0.853,111 0.853,112 3.059,113 0.918,114 -3.89,115 -3.85,116 -3.65,119 50,133 7,135 1,136 1,137 2,138 1,139 1,143 2,159 5,161 1,162 1,164 1,166 2,168 5,171 1,172 4,176 3,178 3,182 3,185 1,187 1,193 1,194 4,197 1,199 1,202 2,206 4,211 1,213 2,217 4,224 3,229 3,237 4,242 1,250 3,255 444,256 14.137,257 14.137,258 14.137,259 14.137,260 14.137,261 11.704,262 9.487,263 8.546,264 14.536,265 11.42,266 11.42,267 11.42,268 11.42,269 11.42,270 7.859,271 17.5,272 4.099,273 12.118,274 3.327,275 1.898,276 0.947,277 0.358,278 0.267,279 0.267,280 3.767,283 1,284 1,285 355,286 2,288 25.997,289 126.434,291 106.717,295 1.18,296 10.118,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 42,307 157,308 4.744,309 3.281,310 6.86,311 4.19,312 3.259,313 4.842,314 0.4,315 11.466,316 3.028,317 4.05,318 2.785,319 6.012,320 3.613,321 2.663,322 3.681,324 8.559,325 2.529,326 3.818,327 2.398,328 5.377,329 3.326,330 2.361,331 3.402,333 6.921,334 2.267,335 3.385,336 1.933,337 5.1,338 2.843,339 1.909,340 2.803,342 5.823,343 1.78,344 3.073,345 1.618,346 4.452,347 2.492,348 1.595,349 2.345,351 4.179,352 1.431,353 2.89,354 1.468,355 3.812,356 2.409,357 1.435,358 2.06,360 3.088,361 1.378,362 2.82,363 1.322,364 3.613,365 2.24,366 1.321,367 1.979,369 3.019,370 1.206,371 2.64,372 1.184,373 3.582,374 2.113,375 1.163,376 1.706,378 2.803,379 1.098,380 2.5,381 1,382 3.247,383 2,384 1,385 1.5,386 2.136,387 1,388 1.977,389 0.574,390 3.154,391 1.403,392 0.525,393 0.749,394 1.316,395 0.453,396 1.314,397 0.07,398 2.765,399 0.887,400 -0.032,401 -0.042,402 -0.082,403 -0.03,404 0.854,405 -0.505,406 2.413,407 0.36,408 -0.578,409 -0.798,411 -1.356,412 -0.532,413 0.799,414 -0.701,415 2.214,416 0.221,417 -0.701,418 -1.051,420 -1.78,421 -0.634,422 0.577,423 -0.884,424 2,425 0.043,426 -0.903,427 -1.322,429 -2.235,430 -0.854,431 0.5,432 -1,433 1.943,435 -1,436 -1.5,438 -2.347,439 -1,440 9.933,441 0.497,442 0.342,443 0.017,444 32,445 1.6,446 18.5,447 0.925,448 13.5,449 0.675,450 11.452,451 0.573,452 18.867,453 0.629,454 18.442,455 0.922,456 6.161,457 0.308,458 3.755,459 0.188,462 0.302,466 0.915,467 1.075,468 0.655,469 0.761,470 0.82,471 0.715,472 0.895,473 0.969,474 0.836,475 0.85,476 0.937,477 0.851,478 0.936,479 1.254,480 0.967,481 1.148,482 0.935,483 0.943,484 1.055,485 1.102,486 1.093,487 1.058,488 0.833,489 0.964,490 1.186,491 0.847,492 1.138,493 0.944,494 1.041,495 0.907,496 1.32,497 1.129,498 1.283,499 1.163,500 1.212,501 1.122,502 1.211,503 0.908,504 1.254,505 1.095,506 1.19,507 1.144,508 0.993,509 0.89,510 0.979,511 0.978,512 1.082,513 1.11,514 2.5,515 0.005,516 1.778,517 1.389,518 0.862,519 0.274,520 0.292,521 0.155,522 0.028,523 0.021,524 3979,525 10767,526 2.259,527 33.3,529 7,531 2,532 1,536 1.62,537 2.222,538 3.002,539 -0.271,541 1,545 47.384,546 1.579,547 3.009,548 3.96,549 4.548,550 4.64,551 4.64,552 2.466,553 3.409,554 4.295,555 3.095,556 587.992,557 7.346,558 5817.94,560 1,561 1,562 1,563 147.207,564 0.881,565 4.295,566 0.109,567 0.002,568 0.056,569 0.045,570 0.033,571 0.012,572 0.014,573 0.01,574 0.003,575 0.003,576 0.287,577 0.67,578 1,580 87.064,581 -0.085,582 -0.105,583 0.053,584 0.031,585 -0.085,586 0.032,587 0.068,588 0.043,589 0.015,590 0.025,591 -0.076,592 -0.06,593 0.163,594 -0.227,595 0.128,596 -0.124,597 0.035,598 -0.018,599 0.001,600 -0.098,601 -0.01,602 -0.028,603 0.114,604 0.005,605 -0.043,606 0.192,607 -0.111,608 0.045,609 0.059,610 0.03,611 -0.3,612 -0.12,613 -0.276,614 -0.184,615 -0.226,616 -0.223,617 -0.264,618 0.041,619 -0.229,620 -0.08,621 -0.178,622 -0.109,623 -0.138,624 -0.001,625 -0.125,626 -0.06,627 -0.05,628 -0.054,629 0.843,630 1.41,631 0.95,632 13.22,633 1.004,634 1.105,635 2.661,636 7.082,637 0.765,638 3.178,639 3.497,640 3.829,641 4.159,642 4.419,643 4.477,644 4.644,645 4.804,646 4.754,647 4.779,648 4.758,649 0.728,650 278.36,651 3.178,652 4.71,653 5.58,654 6.469,655 7.361,656 8.262,657 9.163,658 10.07,659 10.976,660 11.886,661 13.3,669 1,671 3,674 4,675 9,676 3,679 1,680 2,682 21,692 1,699 30,700 21,701 1,702 23,704 33,705 15,706 15,707 1,708 5,710 4,711 7,721 15,733 1,736 10,737 4,738 1,739 5,740 1,743 4,747 0.5,754 1,755 1,759 1,760 3,762 2,777 2,779 1,785 20,790 1,797 1,808 9,809 5.517,810 4.361,811 1.725,812 4.258,813 1.591,814 1.086,815 2.731,816 11.46,817 3.541,818 4.23,819 4.94,820 5.651,821 6.284,822 6.667,823 7.19,824 7.709,825 7.945,826 8.31,827 1,828 31,829 7.326,831 3.141,832 7.567,833 14.115,835 11.734,837 2.067,838 41.333,839 0.001,842 105.94,843 126.142,844 68.367,848 31.278,849 94.864,850 105.94,851 68.367,854 66.334,855 73.899,856 42.722,857 3.82,858 113.675,860 105.94,861 163.232,863 31.278,865 105.94,869 39.965,870 72.91,871 50.357,872 31.278,873 105.94,874 68.367,875 126.142,878 105.94,879 42.142,880 84,881 18.011,882 50.357,883 105.94,884 68.367,885 126.142,887 0.573,888 0.342,889 0.202,890 0.114,891 18,892 6,893 0.061,894 2,895 2,896 1.211,897 3.352,898 160.363,899 0.211,900 19,901 82.439,902 1,904 11.593,905 4.711,906 2.011,907 3.995,908 68.367,909 17.37,910 13.136,913 1.658,914 1.835,916 18.011,917 300.449,918 33.5,926 30.134,927 33.159,928 0.322,929 0.613,930 0.807,931 0.927,932 0.946,933 0.946,934 4.738,935 1.163,936 5.541,937 3.019,938 4.174,939 4.916,940 0.278,941 6.368,942 4.052,943 5.963,944 1,945 7.094,946 2.803,947 3.611,948 4.691,950 7.286,951 3.416,952 7.28,953 0.525,954 8.756,955 2.136,956 5.759,957 7.265,958 0.05,959 10.458,960 5.512,961 8.642,962 -0.032,963 10.486,964 1.316,965 6.111,966 7.986,968 12.292,969 5.771,970 10.043,971 -0.578,972 12.262,973 -0.082,974 7.672,975 9.959,976 0.008,977 14.962,978 7.29,979 11.474,980 -0.701,981 14.07,982 -1.356,983 8.468,984 11.143,986 17.159,987 7.984,988 12.93,989 -0.903,990 15.901,991 -1.78,992 9.784,993 12.868,994 0.001,995 19.669,996 9.253,997 3.259,998 -1,999 17.75,1000 -2.235,1001 10.79,1002 14.272,1004 22.01,1005 10.159,1006 2.663,1007 11.466,1008 19.612,1009 -2.347,1010 12.01,1011 15.898,1013 24.469,1014 11.321,1015 2.361,1016 8.559,1017 21.486,1018 4.842,1019 13.109,1020 17.4,1022 26.867,1023 12.328,1024 1.909,1025 6.921,1026 23.367,1027 3.681,1028 14.296,1029 18.991,1031 29.311,1032 13.449,1033 1.595,1034 5.823,1035 25.256,1036 3.402,1037 15.438,1038 20.536,1040 31.732,1041 14.505,1042 1.435,1043 4.179,1044 27.15,1045 2.803,1046 16.614,1047 22.115,1049 34.171,1050 15.611,1051 1.321,1052 3.088,1053 29.049,1054 2.345,1055 17.776,1056 23.677,1058 36.602,1059 16.691,1060 3687,1061 6199,1062 16.296,1063 22.955,1064 34.666,1065 34.502,1066 34.767,1067 34.474,1068 34.463,1069 50.134,1070 0.8,1071 98.62,1072 32.339,1073 5.501,1074 5.281,1075 6.662,1076 5.314,1077 5.259,1078 7.842,1079 0.8,1080 18.835,1081 5.028,1083 1.507,1084 1.5,1085 1.512,1086 1.499,1087 1.498,1088 2.18,1089 0.035,1090 4.288,1091 1.406,1092 4.147,1093 4.164,1094 4.394,1095 4.134,1096 5.132,1097 4.091,1098 3.885,1099 3.92,1100 3.824,1101 3.817,1102 4.804,1103 3.811,1104 3.615,1105 3.668,1106 3.561,1107 3.475,1108 4.721,1109 3.488,1110 3.08,1111 3.148,1112 3.324,1113 2.986,1114 4.089,1115 2.948,1116 3.03,1117 3.078,1118 2.986,1119 2.866,1120 3.989,1121 2.867,1122 2.854,1123 2.925,1124 2.741,1125 2.735,1126 3.831,1127 2.715,1128 2.783,1129 2.848,1130 2.687,1131 2.639,1132 3.674,1133 2.635,1134 2.595,1135 2.662,1136 2.488,1137 2.454,1138 3.575,1139 2.453,1140 0.206,1141 0.143,1142 0.298,1143 0.182,1144 0.142,1145 4.744,1146 0.211,1147 3.281,1148 0.017,1149 6.86,1150 0.499,1151 4.19,1152 0.132,1153 3.259,1154 4.842,1155 0.4,1156 11.466,1157 3.028,1158 1.911,1159 1.878,1160 2.017,1161 2.038,1162 1.076,1163 2.026,1164 1.865,1165 1.839,1166 1.936,1167 1.964,1168 1.026,1169 1.968,1170 1.724,1171 1.708,1172 1.724,1173 1.822,1174 0.89,1175 1.83,1176 1.036,1177 0.996,1178 1.206,1179 1.252,1180 0.291,1181 1.245,1182 0.938,1183 0.901,1184 1.181,1185 1.062,1186 0.219,1187 1.107,1188 0.886,1189 0.821,1190 1.032,1191 1.037,1192 0.218,1193 1.082,1194 0.842,1195 0.783,1196 0.998,1197 1.001,1198 0.031,1199 1.027,1200 0.595,1201 0.524,1202 0.859,1203 0.802,1205 0.836,1206 3.85,1208 5.165,1209 2.398,1210 6.696,1211 4.844,1212 8.323,1213 7.066,1214 10,1223 3.339,1231 21.853,1232 47.384,1233 90.271,1234 118.8,1235 136.452,1236 139.207,1237 139.207,1238 18.299,1239 7.202,1240 50.7,1241 78.94,1242 23,1243 12.402,1244 4.459,1245 3.524,1246 26.111,1247 57,1248 56,1249 0.231,1250 137.044,1251 213.77,1252 326.146,1253 12411,1255 13.364,1256 0.668,1257 0.563,1258 13.717,1259 11.263,1260 9.916,1261 0.431,1262 0.306,1263 6.226,1264 9.219,1265 6.039,1266 5.003,1267 10.324,1268 7.036,1269 8.703,1270 0.272,1271 0.169,1272 9.318,1273 5.395,1274 7.721,1275 0.172,1276 0.093,1277 8.58,1278 4.188,1279 6.878,1280 0.109,1281 0.051,1282 7.855,1283 3.206,1284 5.861,1285 0.071,1286 0.027,1287 6.81,1288 2.229,1289 0.35,1290 65.348,1291 0.248,1292 19.617,1293 0.673,1294 110,1295 300.129,1296 142.95,1297 321.362,1298 456.62,1299 304,1300 132,1301 335.391,1302 166.188,1303 358.479,1304 529.68,1305 339,1306 5} {0 CHEMBL2153533,1 1.705,2 9.364,3 3.892,4 15.148,5 86.728,6 9.07,7 0.84,8 3.677,9 3.771,10 3.477,11 3.319,12 4.864,13 3.295,14 4.142,15 4.271,16 3.86,17 3.696,18 5.293,19 3.65,20 4.261,21 4.408,22 3.941,23 3.733,24 5.382,25 3.681,26 4.242,27 4.415,28 3.707,29 3.675,30 5.294,31 3.581,32 4.197,33 4.412,34 3.541,35 3.566,36 5.224,37 3.457,38 4.061,39 4.251,40 3.462,41 3.464,42 5.106,43 3.37,44 3.95,45 4.154,46 3.216,47 3.299,48 4.974,49 3.197,50 3.77,51 3.98,52 3.114,53 3.073,54 4.794,55 3.013,56 0.039,57 0.52,58 4.887,59 2.805,60 5.144,61 2.95,62 0.19,63 0.843,64 10.285,65 4.822,66 15.31,67 4.838,68 0.208,69 0.991,70 14.511,71 5.438,72 14.846,73 5.65,74 0.18,75 0.927,76 14.411,77 6.006,78 14.93,79 6.438,80 0.241,81 0.885,82 15.587,83 5.94,84 19.748,85 7.021,86 0.152,87 0.768,88 12.917,89 5.018,90 14.616,91 5.429,92 0.194,93 0.676,94 11.844,95 4.371,96 15.426,97 4.823,98 0.123,99 0.525,100 9.336,101 3.642,102 11.46,103 4.318,104 3,105 35,106 0.306,107 0.633,108 0.775,109 0.846,110 0.846,111 0.846,112 3.147,113 0.907,114 -3.62,115 -3.59,116 -3.42,119 47.1,123 1,133 6,135 2,136 1,137 2,138 1,139 1,143 2,159 3,161 1,162 3,164 1,166 2,168 3,171 1,172 6,176 3,178 3,182 3,185 1,193 1,194 4,197 2,199 1,202 2,206 3,211 1,213 2,216 1,217 4,224 2,229 3,237 4,241 1,250 2,255 618,256 15.455,257 15.455,258 15.455,259 15.455,260 15.455,261 13.05,262 13.8,263 9.131,264 16.033,265 12.313,266 12.313,267 12.313,268 12.313,269 12.313,270 8.686,271 22.151,272 4.274,273 13.203,274 3.383,275 1.559,276 0.772,277 0.375,278 0.375,279 0.375,280 3.853,283 1,284 1,285 461,286 2.345,288 31.051,289 148.546,291 126.796,295 1.397,296 13.427,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47,307 206,308 4.744,309 3.282,310 6.86,311 4.191,312 3.26,313 4.842,314 0.86,315 11.466,316 3.028,317 4.091,318 2.896,319 6.013,320 3.663,321 2.708,322 3.714,323 0.4,324 8.565,325 2.586,326 3.933,327 2.697,328 5.482,329 3.444,330 2.5,331 3.566,333 7.271,334 2.35,335 3.494,336 2.314,337 5.213,338 3.079,339 2.139,340 2.861,342 6.362,343 2,344 3.335,345 1.909,346 5.032,347 2.8,348 1.873,349 2.683,351 5.744,352 1.732,353 3.054,354 1.587,355 4.438,356 2.464,357 1.569,358 2.321,360 4.122,361 1.388,362 2.822,363 1.327,364 3.812,365 2.24,366 1.324,367 1.983,369 3.059,370 1.206,371 2.657,372 1.242,373 3.601,374 2.135,375 1.188,376 1.73,378 2.84,379 1.117,380 2.5,381 1.096,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 1.997,389 1,390 3.208,391 1.517,392 0.639,393 0.809,394 1.428,395 0.555,396 1.725,397 0.588,398 2.925,399 1.334,400 0.471,401 0.592,402 0.868,403 0.4,404 1.271,405 0.168,406 2.594,407 0.875,408 -0.028,409 -0.036,411 -0.062,412 -0.025,413 0.876,414 -0.288,415 2.412,416 0.418,417 -0.502,418 -0.66,420 -1.078,421 -0.454,422 0.799,423 -0.701,424 2.211,425 0.223,426 -0.701,427 -1.051,429 -1.78,430 -0.632,431 0.59,432 -0.743,433 2,434 0.061,435 -0.869,436 -1.221,438 -2.177,439 -0.804,440 10.767,441 0.489,442 0.41,443 0.019,444 34,445 1.545,446 19,447 0.864,448 15,449 0.682,450 13.572,451 0.617,452 21.633,453 0.636,454 20.955,455 0.953,456 6.646,457 0.302,458 4.202,459 0.191,460 0.046,462 0.325,466 0.911,467 1.158,468 0.663,469 0.85,470 0.832,471 0.776,472 1.227,473 0.89,474 0.821,475 0.739,476 1.053,477 0.725,478 1.054,479 1.273,480 0.991,481 1.133,482 0.958,483 0.939,484 0.99,485 1.15,486 1.136,487 1.108,488 0.965,489 1.083,490 0.589,491 0.858,492 1.007,493 0.943,494 0.767,495 0.957,496 1.028,497 1.095,498 1.148,499 1.057,500 1.043,501 1.024,502 0.996,503 0.894,504 1.207,505 1.029,506 1.039,507 1.074,508 0.961,509 0.925,510 0.66,511 0.896,512 0.947,513 0.909,514 3.5,515 0.07,516 2.222,517 1.451,518 1.093,519 0.393,520 0.372,521 0.242,522 0.084,523 0.111,524 5221,525 14965,526 2.205,527 35.3,529 9,531 2,532 1,536 1.644,537 2.129,538 3.202,539 -0.265,541 1,543 1,545 57.954,546 1.705,547 3.528,548 4.315,549 4.712,550 4.712,551 4.712,552 2.681,553 4.152,554 4.429,555 3.315,556 765.858,557 7.604,558 8205.19,560 1,561 1,562 1,563 172.974,564 1.143,565 4.418,566 0.14,567 0.01,568 0.063,569 0.041,570 0.038,571 0.016,572 0.016,573 0.013,574 0.005,575 0.009,576 0.352,577 0.5,578 1,579 0.608,580 100.438,581 -0.077,582 -0.149,583 0.06,584 -0.007,585 -0.08,586 0.012,587 -0.108,588 0.141,589 0.072,590 0.19,591 -0.083,592 0.116,593 -0.028,594 -0.223,595 0.059,596 -0.123,597 -0.021,598 -0.052,599 -0.102,600 -0.151,601 -0.124,602 -0.11,603 -0.096,604 -0.139,605 0.163,606 0.132,607 0.011,608 0.051,609 0.16,610 0.06,611 -0.165,612 -0.091,613 -0.122,614 -0.057,615 -0.113,616 -0.055,617 -0.076,618 0.109,619 -0.217,620 -0.059,621 -0.085,622 -0.098,623 0.05,624 -0.026,625 0.185,626 -0.006,627 0.109,628 0.104,629 0.877,630 1.67,631 0.864,632 16.471,633 1.01,634 1.111,635 2.391,636 5.716,637 0.74,638 3.258,639 3.584,640 3.912,641 4.22,642 4.489,643 4.564,644 4.718,645 4.883,646 4.868,647 4.934,648 5.404,649 0.709,650 308.39,651 3.258,652 4.796,653 5.666,654 6.555,655 7.446,656 8.345,657 9.244,658 10.147,659 11.051,660 11.958,661 11.8,669 1,671 3,674 4,675 8,676 3,679 1,680 3,682 21,692 1,697 1,699 34,700 21,701 1,702 25,704 37,705 16,706 15,707 2,708 4,710 4,711 7,721 15,722 1,733 1,736 12,737 5,738 1,739 6,740 1,743 4,747 0.5,748 1,754 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,785 22,790 1,791 1,797 1,801 2.9,806 1,808 10.333,809 6.6,810 4.861,811 1.878,812 4.301,813 1.58,814 1.052,815 3.353,816 11.712,817 3.597,818 4.287,819 4.992,820 5.69,821 6.327,822 6.715,823 7.221,824 7.738,825 7.992,826 8.38,827 1,828 35,829 8.051,831 3.412,832 7.614,833 15.424,835 12.621,837 2.114,838 46.5,842 129.482,843 132.792,844 68.367,846 11,848 31.278,849 101.515,850 140.482,851 68.367,852 10.883,854 56.857,855 73.899,856 58.965,857 3.82,858 137.218,860 129.482,861 169.882,862 11,863 31.278,865 129.482,866 11,869 39.965,870 79.56,871 50.357,872 31.278,873 129.482,874 79.367,875 132.792,878 129.482,879 47.386,880 85.407,881 18.011,882 61.356,883 129.482,884 79.367,885 132.792,887 0.575,888 0.349,889 0.196,890 0.111,891 19,892 7,893 0.081,894 3,895 2,896 1.211,897 3.517,898 180.517,899 0.211,900 19,901 94.107,902 1,904 13.406,905 5.502,906 2.412,907 3.914,908 79.367,909 15.062,910 13.161,913 1.641,914 2.564,916 18.011,917 341.642,918 35.5,926 34.345,927 37.783,928 0.335,929 0.693,930 0.848,931 0.926,932 0.926,933 0.926,934 4.806,935 1.188,936 5.638,937 3.059,938 4.263,939 4.973,940 1.029,941 6.466,942 4.127,943 6.035,944 1,945 7.198,946 2.84,947 3.761,948 4.808,950 7.391,951 3.563,952 7.358,953 0.639,954 8.861,955 2.275,956 5.861,957 7.324,958 0.763,959 10.529,960 5.6,961 8.724,962 0.471,963 10.586,964 1.428,965 6.236,966 8.065,968 12.343,969 5.894,970 10.127,971 -0.028,972 12.354,973 0.868,974 7.765,975 10.008,976 0.597,977 14.998,978 7.375,979 11.556,980 -0.502,981 14.152,982 -0.062,983 8.561,984 11.193,986 17.181,987 8.078,988 13.008,989 -0.701,990 15.973,991 -1.078,992 9.859,993 12.903,994 0.47,995 19.685,996 9.327,997 3.26,998 -0.869,999 17.811,1000 -1.78,1001 10.857,1002 14.303,1004 22.019,1005 10.231,1006 2.708,1007 11.466,1008 19.664,1009 -2.177,1010 12.066,1011 15.922,1012 0.367,1013 24.476,1014 11.382,1015 2.5,1016 8.565,1017 21.528,1018 4.842,1019 13.158,1020 17.42,1022 26.871,1023 12.385,1024 2.139,1025 7.271,1026 23.403,1027 3.714,1028 14.337,1029 19.007,1030 0.283,1031 29.314,1032 13.498,1033 1.873,1034 6.362,1035 25.285,1036 3.566,1037 15.473,1038 20.548,1040 31.734,1041 14.55,1042 1.569,1043 5.744,1044 27.174,1045 2.861,1046 16.644,1047 22.125,1048 0.217,1049 34.172,1050 15.65,1051 1.324,1052 4.122,1053 29.069,1054 2.683,1055 17.801,1056 23.685,1058 36.603,1059 16.726,1060 4901,1061 8431,1062 17.394,1063 25.171,1064 37.465,1065 37.794,1066 38.397,1067 37.316,1068 37.339,1069 53.201,1070 2.52,1071 107.998,1072 34.723,1073 5.51,1074 5.282,1075 6.541,1076 5.315,1077 5.26,1078 7.842,1079 1.72,1080 18.835,1081 5.028,1082 6.2,1083 1.499,1084 1.512,1085 1.536,1086 1.493,1087 1.494,1088 2.128,1089 0.101,1090 4.32,1091 1.389,1092 4.147,1093 4.164,1094 4.394,1095 4.135,1096 5.133,1097 4.092,1098 3.899,1099 3.925,1100 3.849,1101 3.819,1102 4.874,1103 3.82,1104 3.619,1105 3.671,1106 3.567,1107 3.476,1108 4.759,1109 3.489,1110 3.269,1111 3.331,1112 3.325,1113 3.011,1114 4.409,1115 3.022,1116 3.053,1117 3.098,1118 3.129,1119 2.963,1120 4.014,1121 2.925,1122 2.98,1123 3.058,1124 2.878,1125 2.778,1126 3.989,1127 2.778,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.802,1133 2.715,1134 2.765,1135 2.836,1136 2.683,1137 2.598,1138 3.674,1139 2.594,1140 0.19,1141 0.131,1142 0.274,1143 0.168,1144 0.13,1145 4.744,1146 0.194,1147 3.282,1148 0.034,1149 6.86,1150 0.459,1151 4.191,1152 0.121,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.028,1158 1.907,1159 1.878,1160 1.996,1161 2.04,1162 1.077,1163 2.024,1164 1.864,1165 1.839,1166 1.934,1167 1.969,1168 1.026,1169 1.967,1170 1.723,1171 1.709,1172 1.723,1173 1.827,1174 0.89,1175 1.831,1176 1.203,1177 1.134,1178 1.567,1179 1.517,1180 0.574,1181 1.532,1182 1.011,1183 0.983,1184 1.181,1185 1.199,1186 0.284,1187 1.197,1188 0.894,1189 0.84,1190 1.139,1191 1.062,1192 0.218,1193 1.107,1194 0.886,1195 0.821,1196 1.02,1197 1.037,1198 0.152,1199 1.072,1200 0.82,1201 0.752,1202 0.994,1203 0.985,1204 0.03,1205 1.016,1206 3.932,1208 5.252,1209 2.398,1210 6.786,1211 4.844,1212 8.412,1213 7.066,1214 10.087,1216 1.653,1223 3.335,1224 5.17,1231 24.095,1232 57.954,1233 119.954,1234 146.709,1235 160.219,1236 160.219,1237 160.219,1238 21.889,1239 7.412,1240 59.93,1241 88.17,1242 23,1243 12.476,1244 4.459,1245 3.524,1246 29.957,1247 70,1248 84,1249 0.211,1250 150.632,1251 239.86,1252 359.302,1253 16277,1255 14.941,1256 0.679,1257 0.572,1258 15.295,1259 12.593,1260 10.848,1261 0.434,1262 0.302,1263 6.708,1264 9.994,1265 6.475,1266 5.378,1267 11.256,1268 7.559,1269 9.493,1270 0.271,1271 0.165,1272 10.109,1273 5.758,1274 8.54,1275 0.174,1276 0.092,1277 9.399,1278 4.504,1279 7.331,1280 0.109,1281 0.05,1282 8.307,1283 3.359,1284 6.25,1285 0.071,1286 0.026,1287 7.199,1288 2.33,1289 0.326,1290 72.054,1291 0.24,1292 21.547,1293 0.592,1294 120,1295 355.864,1296 155.828,1297 367.663,1298 516.97,1299 348,1300 144,1301 375.936,1302 180.846,1303 399.017,1304 587.18,1305 375,1306 5} {0 CHEMBL2153534,1 1.753,2 9.458,3 3.876,4 15.021,5 93.192,6 8.906,7 0.778,8 3.786,9 3.877,10 3.561,11 3.378,12 4.978,13 3.365,14 4.264,15 4.399,16 3.938,17 3.747,18 5.403,19 3.717,20 4.348,21 4.475,22 4.06,23 3.81,24 5.513,25 3.78,26 4.395,27 4.547,28 3.886,29 3.802,30 5.493,31 3.734,32 4.441,33 4.634,34 3.698,35 3.734,36 5.481,37 3.642,38 4.333,39 4.538,40 3.606,41 3.648,42 5.35,43 3.543,44 4.269,45 4.516,46 3.505,47 3.475,48 5.222,49 3.384,50 3.991,51 4.17,52 3.459,53 3.308,54 5.091,55 3.269,56 0.064,57 0.58,58 5.843,59 3.31,60 6.021,61 3.457,62 0.301,63 0.921,64 13.194,65 5.643,66 20.586,67 5.573,68 0.331,69 1.059,70 15.482,71 5.803,72 17.637,73 6.098,74 0.277,75 1.045,76 16.114,77 6.884,78 17.844,79 7.351,80 0.444,81 1.054,82 19.397,83 7.225,84 30.153,85 7.856,86 0.272,87 0.973,88 17.151,89 6.549,90 21.448,91 7.639,92 0.317,93 0.863,94 19.013,95 6.358,96 23.909,97 7.812,98 0.234,99 0.652,100 11.313,101 4.313,102 16.467,103 4.754,104 9,105 38,106 0.308,107 0.638,108 0.76,109 0.833,110 0.842,111 0.851,112 3.229,113 0.899,114 -3.36,115 -3.34,116 -3.2,119 44.7,123 2,133 5,135 3,136 1,137 2,138 1,139 1,143 2,159 2,161 1,162 3,164 1,166 2,168 2,171 2,172 7,176 2,178 2,182 4,185 2,193 1,194 3,197 2,199 1,202 2,205 1,206 3,211 1,213 1,216 1,217 4,224 2,228 1,229 2,237 3,241 2,242 1,250 1,255 764,256 16.826,257 16.826,258 16.826,259 16.826,260 16.826,261 14.419,262 16.719,263 9.84,264 17.568,265 13.229,266 13.229,267 13.229,268 13.229,269 13.229,270 9.503,271 27.145,272 4.487,273 14.287,274 3.494,275 1.619,276 0.924,277 0.513,278 0.461,279 0.408,280 3.932,283 1,284 1,285 501,286 2.646,288 35.276,289 168.263,291 143.492,295 1.375,296 17.341,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52,307 227,308 4.744,309 3.288,310 6.86,311 4.191,312 3.26,313 4.842,314 0.86,315 11.466,316 3.029,317 4.271,318 3.194,319 6.171,320 3.852,321 2.904,322 3.919,323 0.86,324 9.156,325 2.748,326 3.994,327 2.729,328 6.002,329 3.52,330 2.584,331 3.641,332 0.4,333 8.497,334 2.409,335 3.548,336 2.316,337 5.319,338 3.128,339 2.179,340 2.914,342 6.669,343 2.058,344 3.345,345 2.168,346 5.076,347 2.801,348 1.874,349 2.724,351 5.777,352 1.735,353 3.054,354 1.902,355 4.453,356 2.521,357 1.61,358 2.321,360 4.192,361 1.461,362 2.919,363 1.584,364 4.352,365 2.464,366 1.568,367 2.057,369 4.054,370 1.388,371 2.822,372 1.326,373 3.812,374 2.24,375 1.324,376 1.983,378 3.059,379 1.206,380 2.657,381 1.231,382 3.601,383 2.134,384 1.187,385 1.729,386 2.84,387 1.117,388 2.014,389 1.079,390 3.225,391 1.628,392 0.732,393 0.883,394 1.5,395 0.649,396 1.895,397 0.935,398 3.045,399 1.396,400 0.522,401 0.716,402 1.164,403 0.449,404 1.487,405 0.588,406 2.846,407 1.202,408 0.353,409 0.389,411 0.495,412 0.297,413 1.269,414 0.192,415 2.505,416 0.875,417 -0.028,418 -0.036,420 -0.063,421 -0.025,422 0.879,423 -0.135,424 2.413,425 0.435,426 -0.476,427 -0.602,429 -0.955,430 -0.425,431 0.799,432 -0.516,433 2.295,434 0.225,435 -0.701,436 -0.986,438 -1.779,439 -0.63,440 11.6,441 0.483,442 0.462,443 0.019,444 36,445 1.5,446 19.5,447 0.813,448 16.5,449 0.688,450 16.114,451 0.671,452 24.4,453 0.642,454 23.819,455 0.992,456 7.145,457 0.298,458 4.651,459 0.194,460 0.086,462 0.345,466 0.919,467 1.232,468 0.671,469 0.929,470 0.836,471 0.828,472 1.364,473 0.825,474 0.81,475 0.657,476 1.165,477 0.63,478 0.922,479 1.292,480 0.948,481 1.129,482 0.862,483 0.916,484 0.984,485 1.196,486 1.089,487 1.143,488 0.891,489 1.102,490 1.217,491 0.883,492 1.138,493 0.924,494 1.224,495 1.028,496 0.791,497 1.095,498 1.093,499 1.077,500 0.912,501 1.114,502 0.767,503 0.771,504 0.784,505 0.805,506 0.772,507 0.777,508 1.116,509 0.898,510 0.775,511 0.887,512 1.104,513 0.867,514 4,515 0.09,516 2.667,517 1.889,518 1.324,519 0.511,520 0.453,521 0.265,522 0.198,523 0.182,524 6375,525 18891,526 2.161,527 36.8,529 11,531 2,532 1,536 1.67,537 2.057,538 3.245,539 -0.26,541 1,543 1,545 66.631,546 1.753,547 3.629,548 4.324,549 4.735,550 4.787,551 4.84,552 2.669,553 4.418,554 4.558,555 3.36,556 927.455,557 7.869,558 10654.8,560 1,561 1,562 1,563 199.421,564 1.281,565 4.532,566 0.148,567 0.008,568 0.07,569 0.047,570 0.038,571 0.018,572 0.017,573 0.012,574 0.009,575 0.011,576 0.378,577 0.33,578 1,579 0.789,580 112.983,581 -0.08,582 -0.19,583 0.065,584 -0.042,585 -0.072,586 -0.006,587 -0.187,588 0.213,589 0.114,590 0.303,591 -0.132,592 0.241,593 0.095,594 -0.212,595 0.072,596 -0.112,597 0.064,598 -0.046,599 -0.042,600 -0.185,601 -0.127,602 -0.156,603 -0.009,604 -0.181,605 -0.14,606 0.092,607 -0.168,608 0.037,609 -0.175,610 -0.063,611 -0.03,612 -0.1,613 -0.112,614 -0.104,615 -0.059,616 -0.122,617 0.1,618 0.167,619 0.25,620 0.176,621 0.195,622 0.293,623 0.013,624 0.069,625 0.126,626 0.03,627 0.005,628 0.074,629 1.009,630 1.845,631 0.792,632 18.125,633 1.015,634 1.116,635 2.13,636 4.538,637 0.721,638 3.332,639 3.664,640 4.007,641 4.317,642 4.564,643 4.644,644 4.804,645 4.97,646 4.984,647 5.081,648 5.642,649 0.693,650 338.42,651 3.332,652 4.875,653 5.753,654 6.648,655 7.543,656 8.445,657 9.347,658 10.253,659 11.158,660 12.066,661 10.5,669 1,671 3,674 4,675 7,676 3,679 1,680 4,682 21,692 1,697 2,699 38,700 21,701 1,702 27,704 41,705 17,706 15,707 3,708 3,710 4,711 7,721 15,722 2,733 1,736 14,737 6,738 1,739 7,740 1,743 4,747 0.5,748 2,754 1,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 24,790 1,791 2,797 1,801 5.3,806 2,808 11.667,809 7.683,810 5.389,811 2.038,812 4.34,813 1.572,814 1.025,815 4.004,816 11.929,817 3.651,818 4.341,819 5.051,820 5.744,821 6.367,822 6.761,823 7.261,824 7.773,825 8.043,826 8.452,827 1,828 40,829 8.783,831 3.692,832 7.653,833 16.733,835 13.513,837 2.153,838 51.667,842 153.024,843 139.442,844 68.367,846 22,848 31.278,849 108.165,850 175.024,851 68.367,852 21.766,854 47.381,855 73.899,856 75.208,857 3.82,858 160.76,860 153.024,861 176.532,862 22,863 31.278,865 153.024,866 22,869 39.965,870 86.21,871 50.357,872 31.278,873 153.024,874 90.367,875 139.442,878 153.024,879 52.629,880 86.813,881 18.011,882 72.356,883 153.024,884 90.367,885 139.442,887 0.573,888 0.359,889 0.208,890 0.112,891 20,892 8,893 0.098,894 4,895 2,896 1.211,897 3.624,898 204.242,899 0.211,900 19,901 110.039,902 1,904 15.242,905 6.304,906 2.716,907 3.813,908 90.367,909 12.928,910 13.192,913 1.619,914 2.945,916 18.011,917 382.834,918 37.5,926 38.556,927 42.408,928 0.334,929 0.691,930 0.824,931 0.902,932 0.912,933 0.922,934 4.869,935 1.324,936 5.733,937 4.054,938 4.344,939 5.027,940 1.454,941 6.581,942 4.197,943 6.102,944 1.187,945 7.309,946 3.059,947 3.892,948 4.913,950 7.545,951 3.69,952 7.433,953 0.732,954 8.986,955 2.84,956 5.964,957 7.385,958 1.175,959 10.678,960 5.69,961 8.807,962 0.522,963 10.725,964 1.5,965 6.382,966 8.158,968 12.496,969 6.034,970 10.216,971 0.353,972 12.503,973 1.164,974 7.889,975 10.073,976 0.966,977 15.142,978 7.488,979 11.652,980 -0.028,981 14.308,982 0.495,983 8.712,984 11.271,986 17.31,987 8.226,988 13.108,989 -0.476,990 16.134,991 -0.063,992 9.997,993 12.965,994 0.788,995 19.801,996 9.458,997 3.26,998 -0.701,999 17.974,1000 -0.955,1001 11.006,1002 14.366,1004 22.117,1005 10.381,1006 2.904,1007 11.466,1008 19.826,1009 -1.779,1010 12.206,1011 15.975,1012 0.634,1013 24.56,1014 11.522,1015 2.584,1016 9.156,1017 21.688,1018 4.842,1019 13.299,1020 17.469,1022 26.94,1023 12.532,1024 2.179,1025 8.497,1026 23.558,1027 3.919,1028 14.47,1029 19.048,1030 0.504,1031 29.371,1032 13.638,1033 1.874,1034 6.669,1035 25.435,1036 3.641,1037 15.601,1038 20.584,1040 31.781,1041 14.689,1042 1.61,1043 5.777,1044 27.317,1045 2.914,1046 16.764,1047 22.155,1048 0.395,1049 34.211,1050 15.783,1051 1.568,1052 4.192,1053 29.204,1054 2.724,1055 17.914,1056 23.711,1058 36.634,1059 16.855,1060 6048,1061 10548,1062 18.493,1063 27.387,1064 40.168,1065 40.981,1066 41.97,1067 40.109,1068 40.191,1069 56.238,1070 4.24,1071 117.741,1072 37.086,1073 5.516,1074 5.288,1075 6.541,1076 5.317,1077 5.26,1078 7.842,1079 1.72,1080 18.836,1081 5.029,1082 9.012,1083 1.488,1084 1.518,1085 1.554,1086 1.486,1087 1.489,1088 2.083,1089 0.157,1090 4.361,1091 1.374,1092 4.148,1093 4.165,1094 4.394,1095 4.135,1096 5.134,1097 4.092,1098 3.913,1099 3.93,1100 3.875,1101 3.821,1102 4.931,1103 3.828,1104 3.621,1105 3.673,1106 3.571,1107 3.476,1108 4.764,1109 3.49,1110 3.276,1111 3.337,1112 3.325,1113 3.023,1114 4.496,1115 3.038,1116 3.247,1117 3.314,1118 3.146,1119 2.968,1120 4.367,1121 2.959,1122 3.051,1123 3.093,1124 3.051,1125 2.949,1126 3.993,1127 2.925,1128 2.968,1129 3.048,1130 2.87,1131 2.775,1132 3.987,1133 2.773,1134 2.784,1135 2.853,1136 2.684,1137 2.645,1138 3.796,1139 2.628,1140 0.176,1141 0.122,1142 0.254,1143 0.155,1144 0.121,1145 4.744,1146 0.179,1147 3.288,1148 0.032,1149 6.86,1150 0.425,1151 4.191,1152 0.112,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.029,1158 1.904,1159 1.879,1160 1.978,1161 2.042,1162 1.078,1163 2.021,1164 1.862,1165 1.839,1166 1.931,1167 1.973,1168 1.026,1169 1.966,1170 1.722,1171 1.71,1172 1.723,1173 1.83,1174 0.89,1175 1.832,1176 1.21,1177 1.144,1178 1.576,1179 1.524,1180 0.575,1181 1.54,1182 1.191,1183 1.115,1184 1.561,1185 1.51,1186 0.573,1187 1.526,1188 1.009,1189 0.982,1190 1.151,1191 1.186,1192 0.283,1193 1.188,1194 0.893,1195 0.838,1196 1.063,1197 1.037,1198 0.183,1199 1.074,1200 0.833,1201 0.768,1202 1.008,1203 1,1204 0.088,1205 1.032,1206 4.007,1208 5.333,1209 2.398,1210 6.874,1211 4.844,1212 8.512,1213 7.066,1214 10.198,1216 3.227,1223 3.33,1224 10.612,1231 26.336,1232 66.631,1233 137.895,1234 164.302,1235 179.911,1236 181.911,1237 183.911,1238 26.595,1239 7.589,1240 69.16,1241 97.4,1242 23,1243 12.583,1244 4.459,1245 3.524,1246 33.858,1247 81,1248 82,1249 0.207,1250 164.221,1251 265.95,1252 392.458,1253 20191,1255 16.518,1256 0.688,1257 0.58,1258 16.872,1259 13.924,1260 11.796,1261 0.437,1262 0.3,1263 7.195,1264 10.794,1265 6.918,1266 5.765,1267 12.205,1268 8.088,1269 10.214,1270 0.269,1271 0.161,1272 10.83,1273 6.099,1274 9.294,1275 0.172,1276 0.089,1277 10.153,1278 4.797,1279 8.131,1280 0.11,1281 0.049,1282 9.107,1283 3.599,1284 6.775,1285 0.071,1286 0.026,1287 7.724,1288 2.475,1289 0.32,1290 78.862,1291 0.233,1292 23.148,1293 0.581,1294 130,1295 411.6,1296 168.707,1297 413.949,1298 577.98,1299 392,1300 157,1301 417.482,1302 197.278,1303 440.668,1304 648.85,1305 412,1306 5.432} {0 CHEMBL2153535,1 1.753,2 8.833,3 3.876,4 15.021,5 93.192,6 8.906,7 0.778,8 3.786,9 3.877,10 3.561,11 3.378,12 4.977,13 3.365,14 4.264,15 4.399,16 3.938,17 3.747,18 5.412,19 3.717,20 4.346,21 4.475,22 4.033,23 3.81,24 5.48,25 3.775,26 4.388,27 4.547,28 3.894,29 3.799,30 5.495,31 3.723,32 4.422,33 4.625,34 3.746,35 3.717,36 5.456,37 3.642,38 4.332,39 4.497,40 3.678,41 3.657,42 5.439,43 3.586,44 4.311,45 4.537,46 3.636,47 3.555,48 5.285,49 3.472,50 4.16,51 4.367,52 3.492,53 3.43,54 5.218,55 3.356,56 0.064,57 0.58,58 5.843,59 3.31,60 5.976,61 3.457,62 0.301,63 0.921,64 13.194,65 5.643,66 21.114,67 5.573,68 0.274,69 1.059,70 15.478,71 5.798,72 15.949,73 5.932,74 0.344,75 1.045,76 16.169,77 6.948,78 19.222,79 7.916,80 0.35,81 1.049,82 19.422,83 7.125,84 25.44,85 8.001,86 0.404,87 0.961,88 15.789,89 5.917,90 26.409,91 5.907,92 0.263,93 0.895,94 18.23,95 6.618,96 20.814,97 7.949,98 0.334,99 0.767,100 15.256,101 5.451,102 24.062,103 6.171,104 9,105 38,106 0.308,107 0.638,108 0.751,109 0.805,110 0.805,111 0.805,112 3.229,113 0.898,114 -3.36,115 -3.34,116 -3.2,119 44.7,123 2,133 5,135 3,136 1,137 2,138 1,139 1,143 2,159 1,161 1,162 5,164 1,166 2,168 4,171 1,172 4,176 1,178 1,181 1,182 5,185 3,187 1,193 1,194 2,197 1,199 1,202 2,205 2,206 4,211 1,217 4,224 3,228 2,229 1,237 2,241 2,242 3,250 1,255 764,256 16.773,257 16.773,258 16.773,259 16.773,260 16.773,261 14.395,262 18.113,263 9.855,264 17.529,265 13.258,266 13.258,267 13.258,268 13.258,269 13.258,270 9.532,271 31.375,272 4.554,273 14.326,274 3.494,275 1.619,276 0.977,277 0.671,278 0.671,279 0.671,280 3.932,283 1,284 1,285 466,286 2.646,288 34.448,289 165.868,291 140.108,295 1.278,296 17.365,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52,307 212,308 4.745,309 3.285,310 6.86,311 4.191,312 3.26,313 4.842,314 0.86,315 11.466,316 3.029,317 4.213,318 3.067,319 6.023,320 3.79,321 2.835,322 3.858,323 0.86,324 8.686,325 2.704,326 3.974,327 2.68,328 5.763,329 3.482,330 2.544,331 3.628,332 0.4,333 8.106,334 2.378,335 3.447,336 2.555,337 5.21,338 3.004,339 2.062,340 2.84,342 6.226,343 1.935,344 3.355,345 2.228,346 4.969,347 2.972,348 2.061,349 2.604,351 5.818,352 1.867,353 3.272,354 1.887,355 4.951,356 2.763,357 1.838,358 2.563,360 5.604,361 1.697,362 3.046,363 1.579,364 4.423,365 2.461,366 1.561,367 2.307,369 4.086,370 1.387,371 2.822,372 1.325,373 3.812,374 2.24,375 1.323,376 1.982,378 3.058,379 1.206,380 2.651,381 1.219,382 3.601,383 2.125,384 1.178,385 1.721,386 2.836,387 1.108,388 1.979,389 1.083,390 3.197,391 1.411,392 0.541,393 0.755,394 1.341,395 0.463,396 1.593,397 0.916,398 2.886,399 1.323,400 0.471,401 0.521,402 0.682,403 0.398,404 1.576,405 0.576,406 2.842,407 1.27,408 0.396,409 0.452,411 0.602,412 0.342,413 1.313,414 0.07,415 2.758,416 0.887,417 -0.032,418 -0.042,420 -0.088,421 -0.03,422 0.86,423 -0.339,424 2.414,425 0.374,426 -0.562,427 -0.77,429 -1.485,430 -0.518,431 0.799,432 -0.416,433 2.26,434 0.24,435 -0.694,436 -0.878,438 -1.599,439 -0.633,440 11.6,441 0.483,442 0.478,443 0.02,444 36,445 1.5,446 19.5,447 0.813,448 16.5,449 0.688,450 16.159,451 0.673,452 24.4,453 0.642,454 23.884,455 0.995,456 7.13,457 0.297,458 4.649,459 0.194,460 0.086,462 0.345,466 0.919,467 1.232,468 0.671,469 0.929,470 0.841,471 0.828,472 1.364,473 0.825,474 0.81,475 0.657,476 1.111,477 0.63,478 1.133,479 1.292,480 1.013,481 1.129,482 1.101,483 0.94,484 0.537,485 1.195,486 1.004,487 1.15,488 0.622,489 1.106,490 1.078,491 0.913,492 1.001,493 0.907,494 0.973,495 0.914,496 1.42,497 1.023,498 1.282,499 1.025,500 1.359,501 1.119,502 0.79,503 0.937,504 0.726,505 0.95,506 0.838,507 0.905,508 1.107,509 0.717,510 0.933,511 0.789,512 1.137,513 0.814,514 4.5,515 0.045,516 2,517 2.139,518 1.244,519 0.566,520 0.455,521 0.201,522 0.255,523 0.162,524 6255,525 18491,526 2.161,527 36.8,529 11,531 2,532 1,536 1.672,537 2.057,538 3.176,539 -0.26,541 1,543 1,545 66.631,546 1.753,547 3.629,548 4.271,549 4.577,550 4.577,551 4.577,552 2.519,553 4.168,554 4.56,555 3.301,556 910.95,557 7.881,558 10481.9,560 1,561 1,562 1,563 199.421,564 1.281,565 4.532,566 0.167,567 0.004,568 0.053,569 0.055,570 0.036,571 0.018,572 0.016,573 0.008,574 0.011,575 0.01,576 0.378,577 0.33,578 1,579 0.789,580 112.569,581 -0.08,582 -0.19,583 0.065,584 -0.042,585 -0.077,586 -0.006,587 -0.187,588 0.213,589 0.114,590 0.303,591 -0.077,592 0.241,593 -0.121,594 -0.212,595 0.005,596 -0.113,597 -0.18,598 -0.07,599 0.291,600 -0.185,601 -0.036,602 -0.158,603 0.202,604 -0.165,605 -0.095,606 0.071,607 -0.019,608 0.056,609 0.027,610 0.066,611 -0.229,612 0.012,613 -0.334,614 -0.084,615 -0.304,616 -0.234,617 0.073,618 -0.018,619 0.26,620 0.021,621 0.116,622 0.144,623 0.02,624 0.242,625 0.081,626 0.19,627 0.005,628 0.183,629 0.958,630 1.81,631 0.792,632 17.458,633 1.015,634 1.116,635 2.13,636 4.538,637 0.721,638 3.332,639 3.664,640 3.989,641 4.317,642 4.575,643 4.663,644 4.82,645 4.963,646 4.984,647 5.094,648 5.5,649 0.693,650 338.42,651 3.332,652 4.875,653 5.746,654 6.642,655 7.533,656 8.438,657 9.336,658 10.244,659 11.147,660 12.057,661 10.5,669 1,671 3,674 4,675 7,676 3,679 1,680 4,682 21,692 1,697 2,699 38,700 21,701 1,702 27,704 41,705 17,706 15,707 3,708 3,710 4,711 7,721 15,722 2,733 1,736 14,737 6,738 1,739 7,740 1,743 4,747 0.5,748 2,754 1,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 24,790 1,791 2,797 1,801 5.3,806 2,808 11.667,809 7.683,810 5.361,811 2.031,812 4.355,813 1.574,814 1.025,815 4.004,816 11.944,817 3.651,818 4.341,819 5.042,820 5.749,821 6.369,822 6.771,823 7.266,824 7.768,825 8.044,826 8.458,827 0.833,828 39,829 8.783,831 3.691,832 7.653,833 16.733,835 13.508,837 2.153,838 51.667,842 153.024,843 139.442,844 68.367,846 22,848 31.278,849 108.165,850 175.024,851 68.367,852 21.766,854 47.381,855 73.899,856 75.208,857 3.82,858 160.76,860 153.024,861 176.532,862 22,863 31.278,865 153.024,866 22,869 39.965,870 86.21,871 50.357,872 31.278,873 153.024,874 90.367,875 139.442,878 153.024,879 52.629,880 86.813,881 18.011,882 72.356,883 153.024,884 90.367,885 139.442,887 0.573,888 0.35,889 0.203,890 0.116,891 20,892 8,893 0.098,894 4,895 2,896 1.211,897 3.615,898 204.813,899 0.211,900 19,901 100.039,902 1,904 15.242,905 6.304,906 2.824,907 3.793,908 90.367,909 12.881,910 13.198,913 1.615,914 2.982,916 18.011,917 382.834,918 37.5,926 38.556,927 42.408,928 0.334,929 0.691,930 0.814,931 0.872,932 0.872,933 0.872,934 4.869,935 1.323,936 5.727,937 4.086,938 4.344,939 5.027,940 1.454,941 6.564,942 4.197,943 6.102,944 1.178,945 7.292,946 3.058,947 3.892,948 4.913,950 7.486,951 3.69,952 7.43,953 0.541,954 8.957,955 2.836,956 5.953,957 7.379,958 1.175,959 10.625,960 5.681,961 8.8,962 0.471,963 10.682,964 1.341,965 6.347,966 8.139,968 12.411,969 6.003,970 10.204,971 0.396,972 12.446,973 0.682,974 7.857,975 10.058,976 0.966,977 15.069,978 7.461,979 11.634,980 -0.032,981 14.239,982 0.602,983 8.66,984 11.249,986 17.23,987 8.181,988 13.085,989 -0.562,990 16.053,991 -0.088,992 9.949,993 12.947,994 0.788,995 19.731,996 9.418,997 3.26,998 -0.694,999 17.885,1000 -1.485,1001 10.948,1002 14.346,1004 22.052,1005 10.331,1006 2.835,1007 11.466,1008 19.732,1009 -1.599,1010 12.15,1011 15.958,1012 0.634,1013 24.504,1014 11.476,1015 2.544,1016 8.686,1017 21.59,1018 4.842,1019 13.24,1020 17.452,1022 26.892,1023 12.482,1024 2.062,1025 8.106,1026 23.458,1027 3.858,1028 14.413,1029 19.034,1030 0.504,1031 29.331,1032 13.59,1033 2.061,1034 6.226,1035 25.334,1036 3.628,1037 15.545,1038 20.572,1040 31.746,1041 14.641,1042 1.838,1043 5.818,1044 27.218,1045 2.84,1046 16.711,1047 22.145,1048 0.395,1049 34.182,1050 15.736,1051 1.561,1052 5.604,1053 29.108,1054 2.604,1055 17.863,1056 23.702,1058 36.611,1059 16.809,1060 5939,1061 10351,1062 18.493,1063 27.387,1064 40.01,1065 41.032,1066 41.519,1067 40.02,1068 40.14,1069 56.144,1070 4.24,1071 117.021,1072 37.027,1073 5.519,1074 5.285,1075 6.541,1076 5.317,1077 5.26,1078 7.842,1079 1.72,1080 18.837,1081 5.029,1082 8.966,1083 1.482,1084 1.52,1085 1.538,1086 1.482,1087 1.487,1088 2.079,1089 0.157,1090 4.334,1091 1.371,1092 4.148,1093 4.165,1094 4.394,1095 4.135,1096 5.134,1097 4.092,1098 3.912,1099 3.93,1100 3.874,1101 3.821,1102 4.922,1103 3.828,1104 3.62,1105 3.672,1106 3.569,1107 3.476,1108 4.762,1109 3.49,1110 3.303,1111 3.355,1112 3.325,1113 3.006,1114 4.58,1115 3.026,1116 3.222,1117 3.295,1118 3.144,1119 2.996,1120 4.293,1121 2.99,1122 3.051,1123 3.096,1124 3.083,1125 2.943,1126 3.989,1127 2.917,1128 2.978,1129 3.057,1130 2.848,1131 2.778,1132 3.97,1133 2.77,1134 2.773,1135 2.841,1136 2.69,1137 2.618,1138 3.794,1139 2.612,1140 0.176,1141 0.122,1142 0.254,1143 0.155,1144 0.121,1145 4.745,1146 0.179,1147 3.285,1148 0.032,1149 6.86,1150 0.425,1151 4.191,1152 0.112,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.029,1158 1.904,1159 1.879,1160 1.977,1161 2.042,1162 1.078,1163 2.021,1164 1.862,1165 1.839,1166 1.931,1167 1.973,1168 1.026,1169 1.966,1170 1.722,1171 1.709,1172 1.723,1173 1.83,1174 0.89,1175 1.832,1176 1.227,1177 1.163,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.17,1183 1.093,1184 1.541,1185 1.471,1186 0.561,1187 1.494,1188 1.011,1189 0.981,1190 1.159,1191 1.199,1192 0.285,1193 1.201,1194 0.904,1195 0.848,1196 1.027,1197 1.037,1198 0.183,1199 1.075,1200 0.832,1201 0.768,1202 1.004,1203 0.992,1204 0.09,1205 1.022,1206 4.007,1208 5.333,1209 2.398,1210 6.868,1211 4.844,1212 8.499,1213 7.066,1214 10.18,1216 3.248,1223 3.329,1224 10.621,1231 26.336,1232 66.631,1233 137.895,1234 162.302,1235 173.911,1236 173.911,1237 173.911,1238 26.267,1239 7.589,1240 69.16,1241 97.4,1242 23,1243 12.574,1244 4.459,1245 3.524,1246 33.77,1247 79,1248 72,1249 0.211,1250 164.221,1251 265.95,1252 392.458,1253 20191,1255 16.518,1256 0.688,1257 0.58,1258 16.872,1259 13.924,1260 11.78,1261 0.436,1262 0.299,1263 7.189,1264 10.769,1265 6.909,1266 5.758,1267 12.188,1268 8.082,1269 10.32,1270 0.272,1271 0.161,1272 10.936,1273 6.131,1274 9.151,1275 0.173,1276 0.09,1277 10.01,1278 4.765,1279 8.017,1280 0.108,1281 0.048,1282 8.994,1283 3.564,1284 6.854,1285 0.071,1286 0.026,1287 7.803,1288 2.49,1289 0.325,1290 78.761,1291 0.233,1292 23.052,1293 0.601,1294 130,1295 411.6,1296 168.707,1297 414.159,1298 577.38,1299 392,1300 156,1301 416.482,1302 195.503,1303 439.967,1304 645.56,1305 411,1306 5} {0 CHEMBL2153536,1 1.778,2 9.538,3 3.859,4 14.894,5 99.655,6 8.773,7 0.724,8 3.884,9 3.972,10 3.638,11 3.433,12 5.08,13 3.43,14 4.373,15 4.512,16 4.011,17 3.795,18 5.504,19 3.78,20 4.429,21 4.537,22 4.166,23 3.882,24 5.622,25 3.87,26 4.529,27 4.664,28 4.065,29 3.915,30 5.676,31 3.871,32 4.644,33 4.816,34 3.887,35 3.88,36 5.713,37 3.817,38 4.58,39 4.77,40 3.77,41 3.829,42 5.618,43 3.733,44 4.57,45 4.841,46 3.741,47 3.684,48 5.472,49 3.586,50 4.289,51 4.49,52 3.717,53 3.537,54 5.362,55 3.492,56 0.093,57 0.636,58 6.799,59 3.782,60 6.896,61 3.947,62 0.421,63 0.991,64 15.979,65 6.33,66 26.046,67 6.249,68 0.451,69 1.127,70 16.497,71 6.202,72 20.023,73 6.568,74 0.43,75 1.164,76 17.928,77 7.796,78 21.681,79 8.46,80 0.672,81 1.218,82 23.333,83 8.408,84 40.308,85 8.614,86 0.505,87 1.182,88 21.308,89 7.954,90 32.86,91 8.969,92 0.465,93 1.095,94 26.92,95 8.62,96 33.859,97 11.307,98 0.4,99 0.849,100 17.213,101 5.979,102 26.365,103 6.868,104 19,105 41,106 0.307,107 0.622,108 0.717,109 0.761,110 0.772,111 0.806,112 3.305,113 0.891,114 -2.84,115 -2.85,116 -2.76,119 42.9,123 3,133 4,135 4,136 1,137 2,138 1,139 1,143 2,159 1,161 1,162 3,164 1,166 2,168 2,171 3,172 6,176 1,178 1,181 1,182 5,185 3,193 1,194 2,197 2,199 1,202 2,205 2,206 3,211 1,216 1,217 4,224 2,228 2,229 1,237 2,241 3,242 2,255 906,256 18.196,257 18.196,258 18.196,259 18.196,260 18.196,261 15.789,262 19.638,263 10.571,264 19.104,265 14.151,266 14.151,267 14.151,268 14.151,269 14.151,270 10.323,271 32.239,272 4.727,273 15.376,274 3.615,275 1.787,276 1.239,277 0.983,278 0.917,279 0.721,280 4.005,283 1,284 1,285 541,286 2.915,288 39.502,289 187.981,291 160.187,295 1.343,296 21.505,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 57,307 248,308 4.745,309 3.379,310 6.86,311 4.192,312 3.261,313 4.842,314 0.86,315 11.467,316 3.03,317 4.422,318 3.272,319 6.524,320 4.004,321 3.061,322 4.107,323 0.86,324 10.262,325 2.88,326 4.002,327 2.731,328 6.008,329 3.532,330 2.595,331 3.649,332 0.86,333 8.532,334 2.421,335 3.555,336 2.555,337 5.344,338 3.132,339 2.182,340 2.924,341 0.4,342 6.755,343 2.065,344 3.355,345 2.315,346 5.19,347 2.972,348 2.061,349 2.726,351 6.118,352 1.867,353 3.345,354 1.979,355 5.09,356 2.801,357 1.874,358 2.604,360 5.796,361 1.735,362 3.054,363 1.866,364 4.453,365 2.464,366 1.569,367 2.321,369 4.145,370 1.388,371 2.822,372 1.579,373 3.813,374 2.24,375 1.324,376 1.983,378 3.06,379 1.206,380 2.658,381 1.325,382 3.778,383 2.141,384 1.209,385 1.73,386 2.85,387 1.121,388 2.205,389 1.215,390 3.6,391 1.958,392 1.119,393 1.188,394 2.383,395 0.931,396 1.971,397 1.012,398 3.178,399 1.411,400 0.538,401 0.752,402 1.321,403 0.462,404 1.576,405 0.916,406 2.859,407 1.27,408 0.396,409 0.452,411 0.603,412 0.342,413 1.441,414 0.588,415 2.844,416 1.17,417 0.331,418 0.359,420 0.444,421 0.276,422 1.267,423 0.228,424 2.488,425 0.875,426 -0.028,427 -0.036,429 -0.064,430 -0.025,431 0.882,432 -0.07,433 2.414,434 0.446,435 -0.458,436 -0.567,438 -0.906,439 -0.406,440 12.433,441 0.478,442 0.513,443 0.02,444 38,445 1.462,446 20,447 0.769,448 18,449 0.692,450 18.913,451 0.727,452 27.167,453 0.647,454 26.882,455 1.034,456 7.645,457 0.294,458 5.1,459 0.196,460 0.121,462 0.362,466 0.929,467 1.3,468 0.677,469 1.001,470 0.841,471 0.874,472 1.443,473 0.771,474 0.802,475 0.592,476 1.236,477 0.555,478 0.859,479 1.309,480 0.911,481 1.13,482 0.837,483 0.899,484 0.829,485 1.239,486 1,487 1.176,488 0.721,489 1.101,490 1.564,491 0.907,492 1.206,493 0.91,494 1.447,495 1.039,496 1.08,497 1.093,498 1.201,499 1.088,500 1.163,501 1.215,502 0.618,503 0.76,504 0.593,505 0.754,506 0.645,507 0.717,508 1.017,509 0.769,510 0.745,511 0.771,512 1.026,513 0.731,514 4.5,515 0.11,516 2.889,517 2.451,518 1.635,519 0.684,520 0.535,521 0.287,522 0.311,523 0.253,524 7593,525 23073,526 2.124,527 38.1,529 13,531 2,532 1,536 1.694,537 2,538 3.251,539 -0.256,541 1,545 74.664,546 1.778,547 3.605,548 4.153,549 4.409,550 4.475,551 4.672,552 2.643,553 4.316,554 4.676,555 3.382,556 1099.09,557 8.115,558 13381.2,560 1,562 1,563 226.477,564 1.37,565 4.637,566 0.155,567 0.007,568 0.07,569 0.054,570 0.039,571 0.02,572 0.018,573 0.01,574 0.011,575 0.011,576 0.397,577 0.33,578 1,579 0.9,580 125.474,581 -0.084,582 -0.226,583 0.069,584 -0.075,585 -0.067,586 -0.022,587 -0.235,588 0.268,589 0.146,590 0.385,591 -0.161,592 0.336,593 0.161,594 -0.197,595 0.087,596 -0.097,597 0.085,598 -0.033,599 0.136,600 -0.209,601 -0.07,602 -0.186,603 0.165,604 -0.187,605 -0.298,606 0.063,607 -0.265,608 0.028,609 -0.304,610 -0.118,611 -0.139,612 -0.097,613 -0.267,614 -0.146,615 -0.235,616 -0.263,617 0.168,618 0.129,619 0.434,620 0.207,621 0.277,622 0.386,623 0.051,624 0.199,625 0.249,626 0.192,627 0.073,628 0.252,629 1.126,630 1.907,631 0.731,632 19.822,633 1.018,634 1.12,635 1.609,636 2.588,637 0.705,638 3.401,639 3.738,640 4.094,641 4.419,642 4.654,643 4.736,644 4.898,645 5.056,646 5.088,647 5.209,648 5.798,649 0.68,650 368.45,651 3.401,652 4.949,653 5.832,654 6.735,655 7.635,656 8.544,657 9.449,658 10.361,659 11.268,660 12.181,661 9.5,669 1,671 3,674 4,675 6,676 3,679 1,680 5,682 21,692 1,697 3,699 42,700 21,701 1,702 29,704 45,705 18,706 15,707 4,708 2,710 4,711 7,721 15,722 3,733 1,736 16,737 7,738 1,739 8,740 1,743 4,747 0.5,748 3,754 1,755 1,759 1,760 3,762 2,777 2,779 1,781 3,785 26,790 1,791 3,797 1,801 7.1,806 3,808 13,809 8.767,810 5.917,811 2.197,812 4.364,813 1.564,814 1.004,815 4.678,816 12.107,817 3.701,818 4.391,819 5.107,820 5.802,821 6.413,822 6.814,823 7.305,824 7.808,825 8.092,826 8.519,827 1,828 45,829 9.517,831 3.976,832 7.686,833 18.042,835 14.405,837 2.186,838 56.833,841 1,842 176.567,843 146.093,844 68.367,846 33,848 31.278,849 114.815,850 209.566,851 68.367,852 32.649,854 37.905,855 73.899,856 91.452,857 3.82,858 184.302,860 176.567,861 183.182,862 33,863 31.278,865 176.567,866 33,869 39.965,870 92.861,871 50.357,872 31.278,873 176.567,874 101.367,875 146.093,878 176.567,879 57.872,880 88.22,881 18.011,882 83.356,883 176.567,884 101.367,885 146.093,887 0.571,888 0.366,889 0.218,890 0.117,891 21,892 9,893 0.111,894 5,895 2,896 1.211,897 3.717,898 229.81,899 0.211,900 19,901 114.211,902 1,904 17.095,905 7.114,906 3.02,907 3.712,908 101.367,909 10.906,910 13.223,913 1.598,914 3.145,916 18.011,917 424.026,918 39.5,926 42.767,927 47.033,928 0.33,929 0.669,930 0.77,931 0.818,932 0.83,933 0.866,934 4.929,935 1.324,936 5.82,937 4.145,938 4.419,939 5.078,940 1.751,941 6.686,942 4.262,943 6.165,944 1.209,945 7.408,946 3.06,947 4.007,948 5.007,950 7.687,951 3.804,952 7.502,953 1.119,954 9.098,955 2.85,956 6.057,957 7.442,958 1.466,959 10.826,960 5.773,961 8.884,962 0.538,963 10.848,964 2.383,965 6.509,966 8.243,968 12.663,969 6.157,970 10.299,971 0.396,972 12.636,973 1.321,974 8.002,975 10.136,976 1.234,977 15.316,978 7.592,979 11.74,980 0.331,981 14.451,982 0.603,983 8.85,984 11.347,986 17.492,987 8.361,988 13.201,989 -0.028,990 16.285,991 0.444,992 10.129,993 13.029,994 1.028,995 19.985,996 9.585,997 3.261,998 -0.458,999 18.133,1000 -0.064,1001 11.155,1002 14.434,1004 22.3,1005 10.529,1006 3.061,1007 11.467,1008 19.992,1009 -0.906,1010 12.354,1011 16.035,1012 0.845,1013 24.741,1014 11.669,1015 2.595,1016 10.262,1017 21.86,1018 4.842,1019 13.457,1020 17.527,1022 27.114,1023 12.693,1024 2.182,1025 8.532,1026 23.735,1027 4.107,1028 14.629,1029 19.101,1030 0.684,1031 29.539,1032 13.801,1033 2.061,1034 6.755,1035 25.616,1036 3.649,1037 15.765,1038 20.633,1040 31.939,1041 14.861,1042 1.874,1043 6.118,1044 27.502,1045 2.924,1046 16.929,1047 22.2,1048 0.546,1049 34.361,1050 15.957,1051 1.569,1052 5.796,1053 29.392,1054 2.726,1055 18.081,1056 23.752,1058 36.774,1059 17.034,1060 7267,1061 12809,1062 19.592,1063 29.602,1064 42.885,1065 44.169,1066 45.566,1067 42.906,1068 43.042,1069 59.274,1070 5.96,1071 127.471,1072 39.447,1073 5.521,1074 5.379,1075 6.541,1076 5.319,1077 5.261,1078 7.842,1079 1.72,1080 18.837,1081 5.03,1082 11.437,1083 1.479,1084 1.523,1085 1.571,1086 1.48,1087 1.484,1088 2.044,1089 0.206,1090 4.396,1091 1.36,1092 4.148,1093 4.165,1094 4.394,1095 4.135,1096 5.136,1097 4.092,1098 3.925,1099 3.935,1100 3.899,1101 3.822,1102 4.969,1103 3.835,1104 3.623,1105 3.674,1106 3.573,1107 3.477,1108 4.765,1109 3.491,1110 3.303,1111 3.355,1112 3.325,1113 3.025,1114 4.58,1115 3.04,1116 3.274,1117 3.335,1118 3.146,1119 3.006,1120 4.467,1121 3.026,1122 3.199,1123 3.278,1124 3.144,1125 2.965,1126 4.292,1127 2.925,1128 3.049,1129 3.088,1130 2.974,1131 2.894,1132 3.989,1133 2.892,1134 2.933,1135 3.014,1136 2.84,1137 2.746,1138 3.943,1139 2.742,1140 0.164,1141 0.117,1142 0.237,1143 0.145,1144 0.112,1145 4.745,1146 0.167,1147 3.379,1148 0.03,1149 6.86,1150 0.395,1151 4.192,1152 0.104,1153 3.261,1154 4.842,1155 0.86,1156 11.467,1157 3.03,1158 1.902,1159 1.88,1160 1.963,1161 2.044,1162 1.08,1163 2.019,1164 1.86,1165 1.84,1166 1.925,1167 1.976,1168 1.026,1169 1.964,1170 1.722,1171 1.71,1172 1.722,1173 1.833,1174 0.89,1175 1.832,1176 1.227,1177 1.163,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.207,1183 1.141,1184 1.571,1185 1.519,1186 0.574,1187 1.535,1188 1.157,1189 1.07,1190 1.537,1191 1.471,1192 0.561,1193 1.493,1194 1.002,1195 0.979,1196 1.092,1197 1.152,1198 0.282,1199 1.16,1200 0.874,1201 0.819,1202 1.008,1203 1.037,1204 0.09,1205 1.063,1206 4.078,1208 5.407,1209 2.398,1210 6.956,1211 4.844,1212 8.604,1213 7.066,1214 10.303,1216 4.745,1223 3.325,1224 16.179,1231 28.578,1232 74.664,1233 151.419,1234 174.438,1235 185.193,1236 187.948,1237 196.213,1238 32.088,1239 7.743,1240 78.39,1241 106.63,1242 23,1243 12.695,1244 4.459,1245 3.524,1246 37.944,1247 92,1248 80,1249 0.207,1250 177.809,1251 292.04,1252 425.615,1253 24153,1255 18.096,1256 0.696,1257 0.587,1258 18.449,1259 15.255,1260 12.745,1261 0.439,1262 0.297,1263 7.682,1264 11.594,1265 7.361,1266 6.153,1267 13.153,1268 8.617,1269 10.945,1270 0.267,1271 0.157,1272 11.56,1273 6.443,1274 10,1275 0.169,1276 0.086,1277 10.859,1278 5.078,1279 8.94,1280 0.109,1281 0.047,1282 9.917,1283 3.838,1284 7.416,1285 0.071,1286 0.025,1287 8.365,1288 2.645,1289 0.319,1290 85.669,1291 0.226,1292 24.667,1293 0.586,1294 140,1295 467.335,1296 181.585,1297 460.284,1298 639.01,1299 436,1300 170,1301 459.027,1302 213.711,1303 482.439,1304 710.84,1305 449,1306 5} {0 CHEMBL2153537,1 1.795,2 8.783,3 3.677,4 13.517,5 86.032,6 9.769,7 0.778,8 3.697,9 3.771,10 3.551,11 3.324,12 4.888,13 3.327,14 4.188,15 4.285,16 3.967,17 3.726,18 5.397,19 3.712,20 4.273,21 4.405,22 3.99,23 3.742,24 5.41,25 3.708,26 4.232,27 4.386,28 3.77,29 3.66,30 5.319,31 3.592,32 4.145,33 4.333,34 3.579,35 3.518,36 5.217,37 3.442,38 4.016,39 4.171,40 3.538,41 3.453,42 5.134,43 3.392,44 3.984,45 4.166,46 3.457,47 3.33,48 5.046,49 3.276,50 3.794,51 3.945,52 3.373,53 3.157,54 4.925,55 3.139,56 0.094,57 0.51,58 3.543,59 2.654,60 5.34,61 2.348,62 0.369,63 0.847,64 8.134,65 4.662,66 18.871,67 3.796,68 0.278,69 0.988,70 12.191,71 5.344,72 14.936,73 4.867,74 0.308,75 0.903,76 12.456,77 5.725,78 16.688,79 5.467,80 0.324,81 0.845,82 13.183,83 5.31,84 20.401,85 5.387,86 0.246,87 0.735,88 10.01,89 4.379,90 14.836,91 3.962,92 0.251,93 0.676,94 11.16,95 4.546,96 15.745,97 4.653,98 0.232,99 0.537,100 7.717,101 3.441,102 14.078,103 3.195,105 39,106 0.322,107 0.655,108 0.799,109 0.884,110 0.895,111 0.895,112 3.19,113 0.872,114 -3.52,115 -3.5,116 -3.34,119 48.5,125 1,133 5,135 3,136 1,137 2,138 1,139 1,143 2,159 2,161 2,162 3,164 1,166 2,168 2,171 1,172 7,176 2,178 2,182 4,185 2,193 1,194 3,197 2,199 1,202 2,205 1,206 3,211 1,213 1,216 1,217 4,224 2,228 1,229 2,237 3,241 2,242 1,250 1,255 666,256 16.24,257 16.24,258 16.24,259 16.24,260 16.24,261 13.834,262 16.088,263 9.539,264 16.782,265 13.391,266 13.391,267 13.391,268 13.391,269 13.391,270 9.71,271 27.045,272 4.552,273 14.322,274 3.249,275 1.394,276 0.594,277 0.121,278 0.061,279 0.061,280 3.912,283 1,284 1,285 469,286 2.236,288 74.862,289 134.471,291 199.701,295 1.289,296 17.595,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 50,307 202,308 4.744,309 3.322,310 6.86,311 4.191,312 3.26,313 4.842,314 1.392,315 11.466,316 3.029,317 4.294,318 3.268,319 6.198,320 3.893,321 2.943,322 3.933,323 0.532,324 9.277,325 2.787,326 3.998,327 2.746,328 6.003,329 3.531,330 2.594,331 3.643,332 0.4,333 8.51,334 2.421,335 3.565,336 2.34,337 5.323,338 3.156,339 2.202,340 2.926,342 6.703,343 2.092,344 3.349,345 1.992,346 5.078,347 2.808,348 1.879,349 2.732,351 5.785,352 1.742,353 3.055,354 1.925,355 4.454,356 2.478,357 1.57,358 2.322,360 4.248,361 1.438,362 2.886,363 1.718,364 4.353,365 2.464,366 1.534,367 2.024,369 4.094,370 1.388,371 2.822,372 1.57,373 3.812,374 2.24,375 1.324,376 1.983,378 3.059,379 1.206,380 2.658,381 1.325,382 3.601,383 2.157,384 1.201,385 1.731,386 2.844,387 1.142,388 2.208,389 1.209,390 3.453,391 2.072,392 1.087,393 1.186,394 2.447,395 1.067,396 1.986,397 0.816,398 3.208,399 1.481,400 0.575,401 0.78,402 1.428,403 0.513,404 1.702,405 0.567,406 3.041,407 1.327,408 0.427,409 0.535,411 1.049,412 0.379,413 1.245,414 0.1,415 2.828,416 0.848,417 -0.069,418 -0.088,420 -0.184,421 -0.063,422 0.812,423 -0.393,424 2.414,425 0.36,426 -0.577,427 -0.766,429 -1.489,430 -0.531,431 0.799,432 -0.585,433 2.321,434 0.222,435 -0.701,436 -1.051,438 -1.781,439 -0.634,440 11.1,441 0.483,442 0.462,443 0.02,444 36,445 1.565,446 19.5,447 0.848,448 16.5,449 0.717,450 14.259,451 0.62,452 22.5,453 0.682,454 22.042,455 0.958,456 6.926,457 0.301,458 4.456,459 0.194,462 0.36,466 0.926,467 1.146,468 0.625,469 0.846,470 0.86,471 0.729,472 1.156,473 0.866,474 0.837,475 0.73,476 1.064,477 0.72,478 0.914,479 1.281,480 1.01,481 1.173,482 0.9,483 0.992,484 0.905,485 1.128,486 1.163,487 1.104,488 0.888,489 1.101,490 0.792,491 0.895,492 1.125,493 0.959,494 0.905,495 1.003,496 0.937,497 1.064,498 1.24,499 1.082,500 1.015,501 1.079,502 0.837,503 0.938,504 0.95,505 1.03,506 0.911,507 0.993,508 1.186,509 0.849,510 0.82,511 0.917,512 1.199,513 0.895,514 3.5,515 0.032,516 2.444,517 1.708,518 1.039,519 0.354,520 0.398,521 0.202,522 0.13,523 0.098,524 6306,525 18736,526 2.303,527 30.3,529 5,530 2,531 2,532 1,536 1.657,537 2.262,538 3.162,539 -0.241,541 1,543 1,545 59.246,546 1.795,547 3.65,548 4.45,549 4.923,550 4.984,551 4.984,552 2.525,553 4.437,554 4.5,555 3.283,556 830.698,557 7.742,558 9166.75,559 1,560 1,561 1,562 1,563 166.465,564 0.932,565 4.495,566 0.13,567 0.004,568 0.063,569 0.046,570 0.034,571 0.014,572 0.016,573 0.009,574 0.007,575 0.007,576 0.328,577 0.5,578 0.88,580 106.208,581 -0.115,582 -0.163,583 0.05,584 -0.025,585 -0.127,586 0.009,587 -0.04,588 0.144,589 0.001,590 0.18,591 -0.086,592 0.069,593 -0.066,594 -0.246,595 0.022,596 -0.165,597 -0.047,598 -0.094,599 -0.05,600 -0.132,601 -0.135,602 -0.096,603 -0.024,604 -0.137,605 0.014,606 0.123,607 -0.078,608 0.042,609 0.031,610 0.024,611 -0.12,612 -0.03,613 -0.236,614 -0.096,615 -0.139,616 -0.144,617 0.057,618 0.02,619 0.08,620 -0.033,621 0.062,622 0.055,623 -0.022,624 0.094,625 0.108,626 0.025,627 -0.074,628 0.063,629 1.238,630 1.91,631 0.957,632 15.777,633 1.024,634 1.108,635 2.293,636 5.257,637 0.753,638 3.332,639 3.689,640 4.043,641 4.382,642 4.615,643 4.718,644 4.898,645 5.081,646 5.069,647 5.204,648 5.386,649 0.736,650 322.37,651 3.332,652 4.89,653 5.778,654 6.681,655 7.582,656 8.491,657 9.397,658 10.307,659 11.216,660 12.128,661 12.1,669 1,671 3,674 4,675 7,676 3,679 1,680 4,682 21,692 1,697 2,699 33,700 21,701 1,702 27,704 37,705 16,706 15,707 3,708 3,710 5,711 9,721 15,722 1,732 1,733 1,736 10,737 6,738 1,739 7,740 1,743 4,747 0.4,748 2,754 1,755 1,759 2,760 3,762 3,777 2,779 1,785 23,789 1,790 1,791 2,797 1,801 6.1,806 2,808 10.167,809 6.183,810 4.889,811 1.871,812 4.408,813 1.559,814 1.095,815 2.929,816 12.294,817 3.651,818 4.353,819 5.064,820 5.766,821 6.385,822 6.787,823 7.292,824 7.807,825 8.061,826 8.481,827 0.833,828 37,829 8.437,831 3.706,832 7.638,833 16.135,835 13.63,837 2.138,838 49.167,842 105.94,843 124.327,844 68.367,846 22,848 31.278,849 93.049,850 127.94,851 68.367,853 6.65,854 47.381,855 73.899,856 75.208,857 27.362,858 90.133,860 105.94,861 161.416,862 22,863 31.278,865 105.94,866 22,869 46.615,870 64.444,871 50.357,872 31.278,873 105.94,874 90.367,875 124.327,878 105.94,879 59.279,880 65.047,881 18.011,882 72.356,883 105.94,884 90.367,885 124.327,887 0.585,888 0.355,889 0.208,890 0.111,891 23,892 8,893 0.054,894 2,895 3,896 1.273,897 3.664,898 201.3,899 0.273,900 22,901 104.042,902 1,904 13.169,905 5.115,906 2.141,907 3.85,908 90.367,909 13.027,910 13.181,913 1.627,914 3.143,916 18.011,917 320.634,918 37.5,926 33.789,927 36.578,928 0.356,929 0.724,930 0.882,931 0.976,932 0.988,933 0.988,934 4.885,935 1.324,936 5.759,937 4.094,938 4.369,939 5.04,940 1.751,941 6.608,942 4.236,943 6.116,944 1.201,945 7.33,946 3.059,947 3.892,948 4.913,950 7.545,951 3.69,952 7.446,953 1.087,954 9.003,955 2.844,956 5.989,957 7.391,958 2.164,959 10.697,960 5.728,961 8.819,962 0.575,963 10.738,964 2.447,965 6.399,966 8.162,968 12.51,969 6.056,970 10.228,971 0.427,972 12.514,973 1.428,974 7.919,975 10.078,976 2.746,977 15.159,978 7.528,979 11.664,980 -0.069,981 14.319,982 1.049,983 8.74,984 11.276,986 17.326,987 8.26,988 13.121,989 -0.577,990 16.144,991 -0.184,992 10.031,993 12.97,994 3.372,995 19.816,996 9.5,997 3.26,998 -0.701,999 17.984,1000 -1.489,1001 11.039,1002 14.371,1004 22.132,1005 10.422,1006 2.943,1007 11.466,1008 19.837,1009 -1.781,1010 12.242,1011 15.979,1012 4.015,1013 24.573,1014 11.567,1015 2.594,1016 9.277,1017 21.699,1018 4.842,1019 13.334,1020 17.472,1022 26.953,1023 12.576,1024 2.202,1025 8.51,1026 23.569,1027 3.933,1028 14.506,1029 19.051,1030 4.667,1031 29.382,1032 13.684,1033 1.879,1034 6.703,1035 25.445,1036 3.643,1037 15.636,1038 20.587,1040 31.79,1041 14.735,1042 1.57,1043 5.785,1044 27.328,1045 2.926,1046 16.799,1047 22.158,1048 5.323,1049 34.22,1050 15.829,1051 1.534,1052 4.248,1053 29.215,1054 2.732,1055 17.948,1056 23.713,1058 36.642,1059 16.9,1060 5629,1061 9850,1062 19.186,1063 24.864,1064 41.199,1065 41.826,1066 41.436,1067 41.195,1068 41.194,1069 57.274,1070 4.646,1071 121.824,1072 38.409,1073 5.581,1074 5.322,1075 6.541,1076 5.319,1077 5.26,1078 7.842,1079 2.783,1080 18.836,1081 5.029,1083 1.526,1084 1.549,1085 1.535,1086 1.526,1087 1.526,1088 2.121,1089 0.172,1090 4.512,1091 1.423,1092 4.148,1093 4.165,1094 4.394,1095 4.135,1096 5.136,1097 4.092,1098 3.941,1099 3.953,1100 3.907,1101 3.836,1102 5,1103 3.846,1104 3.626,1105 3.677,1106 3.576,1107 3.478,1108 4.767,1109 3.493,1110 3.316,1111 3.349,1112 3.328,1113 3.055,1114 4.397,1115 3.09,1116 3.05,1117 3.089,1118 3.222,1119 2.969,1120 4.022,1121 2.927,1122 2.966,1123 3.034,1124 2.891,1125 2.79,1126 3.989,1127 2.793,1128 2.812,1129 2.868,1130 2.739,1131 2.673,1132 3.94,1133 2.669,1134 2.712,1135 2.791,1136 2.592,1137 2.518,1138 3.779,1139 2.523,1140 0.176,1141 0.123,1142 0.254,1143 0.155,1144 0.121,1145 4.744,1146 0.179,1147 3.322,1148 0.052,1149 6.86,1150 0.425,1151 4.191,1152 0.112,1153 3.26,1154 4.842,1155 1.392,1156 11.466,1157 3.029,1158 1.897,1159 1.868,1160 1.964,1161 2.033,1162 1.069,1163 2.011,1164 1.853,1165 1.833,1166 1.925,1167 1.951,1168 1.025,1169 1.951,1170 1.716,1171 1.703,1172 1.715,1173 1.814,1174 0.887,1175 1.817,1176 1.161,1177 1.129,1178 1.439,1179 1.52,1180 0.579,1181 1.486,1182 1.019,1183 0.991,1184 1.143,1185 1.226,1186 0.284,1187 1.205,1188 0.908,1189 0.875,1190 1.066,1191 1.037,1192 0.177,1193 1.073,1194 0.829,1195 0.776,1196 1.012,1197 0.993,1198 0.102,1199 1.023,1200 0.794,1201 0.73,1202 0.99,1203 0.986,1204 0.029,1205 1.012,1206 4.007,1208 5.352,1209 3.045,1210 6.899,1211 5.416,1212 8.538,1213 7.545,1214 10.225,1222 0.262,1223 3.334,1224 10.742,1231 24.283,1232 59.246,1233 120.449,1234 146.855,1235 162.465,1236 164.465,1237 164.465,1238 21.96,1239 7.886,1240 69.16,1241 97.4,1242 28,1243 12.642,1244 4.459,1245 3.524,1246 28.635,1247 74,1248 64,1249 0.189,1250 147.235,1251 236.29,1252 351.013,1253 30296,1255 15.225,1256 0.662,1257 0.549,1258 15.579,1259 12.631,1260 11.382,1261 0.422,1262 0.291,1263 6.972,1264 10.435,1265 6.801,1266 5.578,1267 11.79,1268 7.849,1269 10.329,1270 0.265,1271 0.156,1272 10.944,1273 6.097,1274 9.395,1275 0.168,1276 0.085,1277 10.254,1278 4.786,1279 8.469,1280 0.107,1281 0.046,1282 9.446,1283 3.659,1284 6.96,1285 0.07,1286 0.025,1287 7.91,1288 2.491,1289 0.292,1290 75.962,1291 0.228,1292 22.305,1293 0.534,1294 132,1295 413.6,1296 172.257,1297 415.368,1298 585.72,1299 394,1300 161,1301 431.3,1302 202.607,1303 450.364,1304 671.35,1305 424,1306 5} {0 CHEMBL2153538,1 1.767,2 9.458,3 3.694,4 13.648,5 91.223,6 9.344,7 0.75,8 3.766,9 3.847,10 3.584,11 3.386,12 4.927,13 3.381,14 4.269,15 4.38,16 3.99,17 3.782,18 5.421,19 3.761,20 4.431,21 4.575,22 4.065,23 3.822,24 5.556,25 3.791,26 4.312,27 4.467,28 3.822,29 3.746,30 5.379,31 3.673,32 4.26,33 4.448,34 3.647,35 3.637,36 5.303,37 3.55,38 4.172,39 4.356,40 3.584,41 3.546,42 5.228,43 3.468,44 4.088,45 4.286,46 3.497,47 3.404,48 5.115,49 3.341,50 3.917,51 4.083,52 3.45,53 3.265,54 5.011,55 3.239,56 0.078,57 0.553,58 4.675,59 3.027,60 5.496,61 2.914,62 0.273,63 0.919,64 10.36,65 5.354,66 17.582,67 4.82,68 0.465,69 1.102,70 17.258,71 6.506,72 25.003,73 6.154,74 0.286,75 0.973,76 14.079,77 6.276,78 16.472,79 6.378,80 0.311,81 0.932,82 14.749,83 5.987,84 20.705,85 6.486,86 0.258,87 0.848,88 13.536,89 5.42,90 17.877,91 5.693,92 0.265,93 0.751,94 13.343,95 5.023,96 17.572,97 5.423,98 0.232,99 0.608,100 9.687,101 3.986,102 15.049,103 4.062,105 40,106 0.312,107 0.649,108 0.778,109 0.855,110 0.865,111 0.874,112 3.229,113 0.895,114 -3.36,115 -3.34,116 -3.2,119 47.2,124 2,133 5,135 3,136 1,137 2,138 1,139 1,143 2,159 2,161 1,162 3,164 1,166 2,168 2,171 2,172 7,176 2,178 2,182 4,185 2,193 1,194 3,197 2,199 1,202 2,205 1,206 3,211 1,213 1,216 1,217 4,224 2,228 1,229 2,237 3,241 2,242 1,250 1,255 748,256 16.947,257 16.947,258 16.947,259 16.947,260 16.947,261 14.541,262 17.482,263 10.039,264 17.613,265 13.891,266 13.891,267 13.891,268 13.891,269 13.891,270 10.21,271 28.789,272 4.8,273 15.02,274 3.403,275 1.5,276 0.767,277 0.333,278 0.278,279 0.222,280 3.953,283 1,284 1,285 524,286 2.236,288 32.597,289 193.976,291 131.733,292 85.853,295 1.375,296 18.615,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52,307 227,308 4.744,309 3.295,310 6.86,311 4.191,312 3.26,313 4.842,314 0.86,315 11.466,316 3.029,317 4.283,318 3.241,319 6.188,320 3.87,321 2.927,322 3.925,323 0.86,324 9.25,325 2.758,326 3.996,327 2.74,328 6.003,329 3.526,330 2.591,331 3.642,332 0.4,333 8.507,334 2.413,335 3.56,336 2.337,337 5.322,338 3.146,339 2.199,340 2.921,342 6.697,343 2.073,344 3.348,345 2.175,346 5.078,347 2.807,348 1.88,349 2.73,351 5.785,352 1.739,353 3.055,354 1.929,355 4.464,356 2.53,357 1.618,358 2.322,360 4.384,361 1.469,362 2.923,363 1.781,364 4.391,365 2.466,366 1.573,367 2.061,369 4.111,370 1.389,371 2.822,372 1.576,373 3.812,374 2.322,375 1.404,376 1.983,378 3.062,379 1.276,380 2.659,381 1.325,382 3.618,383 2.24,384 1.323,385 1.732,386 3.002,387 1.206,388 2.474,389 1.212,390 3.6,391 2.128,392 1.181,393 1.473,394 2.833,395 1.111,396 2.006,397 1.007,398 3.233,399 1.614,400 0.713,401 0.866,402 1.662,403 0.635,404 1.892,405 0.6,406 3.138,407 1.392,408 0.518,409 0.716,411 1.297,412 0.445,413 1.314,414 0.217,415 2.863,416 0.915,417 0.008,418 0.01,420 0.021,421 0.007,422 0.908,423 -0.133,424 2.415,425 0.462,426 -0.453,427 -0.576,429 -1.103,430 -0.407,431 0.799,432 -0.314,433 2.331,434 0.311,435 -0.618,436 -0.729,438 -1.596,439 -0.565,440 11.6,441 0.483,442 0.462,443 0.019,444 36.5,445 1.521,446 19.5,447 0.813,448 17,449 0.708,450 15.806,451 0.659,452 23.8,453 0.661,454 22.833,455 0.951,456 6.981,457 0.291,458 4.901,459 0.204,462 0.345,466 0.911,467 1.162,468 0.638,469 0.87,470 0.824,471 0.763,472 1.279,473 0.944,474 0.838,475 0.812,476 1.115,477 0.779,478 1.207,479 1.129,480 0.984,481 1.005,482 1.089,483 0.862,484 0.882,485 1.144,486 1.129,487 1.108,488 0.86,489 1.098,490 0.751,491 0.942,492 1.099,493 1.002,494 0.881,495 1.054,496 0.862,497 1.083,498 1.137,499 1.06,500 0.932,501 1.06,502 0.875,503 0.896,504 0.93,505 0.96,506 0.911,507 0.93,508 1.124,509 0.886,510 0.766,511 0.888,512 1.131,513 0.853,514 3.5,515 0.037,516 2.444,517 1.639,518 1.226,519 0.358,520 0.432,521 0.206,522 0.136,523 0.128,524 7064,525 20052,526 2.289,527 33.3,529 9,531 2,532 1,536 1.668,537 2.25,538 3.248,539 -0.26,541 1,543 1,545 63.611,546 1.767,547 3.669,548 4.403,549 4.837,550 4.892,551 4.948,552 2.669,553 4.335,554 4.561,555 3.359,556 927.11,557 7.863,558 10583.7,559 1,560 1,561 1,562 1,563 186.117,564 0.918,565 4.557,566 0.125,567 0.003,568 0.061,569 0.041,570 0.037,571 0.013,572 0.017,573 0.009,574 0.006,575 0.008,576 0.32,577 0.5,578 0.88,580 112.875,581 -0.094,582 -0.159,583 0.059,584 -0.024,585 -0.074,586 0.011,587 -0.167,588 0.07,589 0.021,590 0.109,591 -0.128,592 0.045,593 -0.021,594 -0.113,595 0.069,596 0.011,597 -0.027,598 0.05,599 -0.039,600 -0.141,601 -0.138,602 -0.114,603 -0.019,604 -0.158,605 0.023,606 0.067,607 -0.11,608 -0.026,609 0.011,610 -0.065,611 -0.056,612 -0.066,613 -0.123,614 -0.071,615 -0.05,616 -0.08,617 0.034,618 0.085,619 0.082,620 0.02,621 0.056,622 0.091,623 0.015,624 0.068,625 0.149,626 0.042,627 -0.016,628 0.1,629 0.934,630 2.132,631 0.958,632 17.292,633 1.019,634 1.111,635 2.13,636 4.538,637 0.74,638 3.367,639 3.714,640 4.06,641 4.394,642 4.673,643 4.745,644 4.92,645 5.106,646 5.153,647 5.231,648 5.627,649 0.717,650 336.4,651 3.367,652 4.92,653 5.802,654 6.701,655 7.598,656 8.503,657 9.407,658 10.314,659 11.22,660 12.13,661 11.1,669 1,671 3,674 4,675 7,676 3,679 1,680 4,682 21,692 1,697 2,699 36,700 21,701 1,702 28,704 40,705 17,706 15,707 3,708 3,710 5,711 9,721 15,722 2,732 1,733 1,736 12,737 6,738 1,739 7,740 1,743 4,747 0.4,748 2,754 1,755 1,759 1,760 4,762 2,763 1,777 2,779 1,785 24,789 2,790 1,791 2,797 1,801 5.6,806 2,808 10.667,809 6.683,810 5.139,811 2.121,812 4.417,813 1.552,814 1.08,815 3.316,816 12.416,817 3.676,818 4.366,819 5.07,820 5.769,821 6.399,822 6.793,823 7.296,824 7.811,825 8.087,826 8.485,827 1,828 40,829 8.822,831 3.856,832 7.611,833 16.952,835 14.297,837 2.111,838 50.667,842 129.482,843 126.861,844 68.367,846 22,848 31.278,849 95.583,850 151.482,851 68.367,853 9.185,854 47.381,855 73.899,856 75.208,857 3.82,858 137.218,860 129.482,861 163.951,862 22,863 31.278,865 129.482,866 22,869 49.15,870 64.444,871 50.357,872 31.278,873 129.482,874 90.367,875 126.861,878 129.482,879 61.814,880 65.047,881 18.011,882 72.356,883 129.482,884 90.367,885 126.861,887 0.582,888 0.352,889 0.206,890 0.116,891 23,892 8,893 0.05,894 2,895 3,896 1.261,897 3.746,898 211.899,899 0.261,900 23,901 110.039,902 1,904 14.079,905 5.653,906 2.426,907 3.857,908 90.367,909 13.096,910 13.223,913 1.63,914 3.171,916 18.011,917 346.71,918 38.5,926 36.673,927 39.993,928 0.342,929 0.71,930 0.852,931 0.936,932 0.946,933 0.957,934 4.907,935 1.404,936 5.778,937 4.111,938 4.394,939 5.053,940 1.454,941 6.619,942 4.244,943 6.131,944 1.323,945 7.343,946 3.062,947 3.892,948 4.913,950 7.545,951 3.69,952 7.457,953 1.181,954 9.011,955 3.002,956 6.004,957 7.394,958 1.175,959 10.699,960 5.721,961 8.825,962 0.713,963 10.743,964 2.833,965 6.382,966 8.158,968 12.504,969 6.034,970 10.231,971 0.518,972 12.517,973 1.662,974 7.922,975 10.078,976 0.966,977 15.158,978 7.509,979 11.663,980 0.008,981 14.32,982 1.297,983 8.721,984 11.273,986 17.322,987 8.232,988 13.118,989 -0.453,990 16.143,991 0.021,992 10.025,993 12.968,994 0.788,995 19.814,996 9.474,997 3.26,998 -0.618,999 17.983,1000 -1.103,1001 11.022,1002 14.368,1004 22.128,1005 10.391,1006 2.927,1007 11.466,1008 19.834,1009 -1.596,1010 12.23,1011 15.977,1012 0.634,1013 24.571,1014 11.536,1015 2.591,1016 9.25,1017 21.696,1018 4.842,1019 13.318,1020 17.47,1022 26.95,1023 12.543,1024 2.199,1025 8.507,1026 23.565,1027 3.925,1028 14.492,1029 19.049,1030 0.504,1031 29.38,1032 13.65,1033 1.88,1034 6.697,1035 25.442,1036 3.642,1037 15.62,1038 20.585,1040 31.788,1041 14.701,1042 1.618,1043 5.785,1044 27.324,1045 2.921,1046 16.785,1047 22.156,1048 0.395,1049 34.218,1050 15.795,1051 1.573,1052 4.384,1053 29.211,1054 2.73,1055 17.933,1056 23.712,1058 36.64,1059 16.866,1060 6336,1061 10828,1062 19.879,1063 26.625,1064 42.526,1065 42.928,1066 42.854,1067 42.351,1068 42.389,1069 58.444,1070 4.24,1071 124.157,1072 39.1,1073 5.689,1074 5.295,1075 6.547,1076 5.331,1077 5.26,1078 7.842,1079 1.72,1080 18.836,1081 5.029,1083 1.519,1084 1.533,1085 1.531,1086 1.513,1087 1.514,1088 2.087,1089 0.151,1090 4.434,1091 1.396,1092 4.148,1093 4.165,1094 4.394,1095 4.135,1096 5.134,1097 4.092,1098 3.938,1099 3.952,1100 3.899,1101 3.834,1102 4.946,1103 3.844,1104 3.631,1105 3.682,1106 3.578,1107 3.479,1108 4.765,1109 3.494,1110 3.448,1111 3.499,1112 3.339,1113 3.249,1114 4.384,1115 3.257,1116 3.058,1117 3.105,1118 3.306,1119 2.981,1120 4.214,1121 2.937,1122 3.007,1123 3.067,1124 2.942,1125 2.828,1126 3.992,1127 2.834,1128 2.871,1129 2.915,1130 2.783,1131 2.711,1132 3.986,1133 2.71,1134 2.76,1135 2.828,1136 2.686,1137 2.6,1138 3.793,1139 2.601,1140 0.169,1141 0.118,1142 0.245,1143 0.15,1144 0.116,1145 4.744,1146 0.173,1147 3.295,1148 0.031,1149 6.86,1150 0.41,1151 4.191,1152 0.108,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.029,1158 1.912,1159 1.89,1160 1.992,1161 2.053,1162 1.114,1163 2.033,1164 1.867,1165 1.843,1166 1.935,1167 1.988,1168 1.028,1169 1.975,1170 1.728,1171 1.715,1172 1.74,1173 1.844,1174 0.945,1175 1.844,1176 1.413,1177 1.361,1178 1.661,1179 1.634,1180 0.869,1181 1.648,1182 1.016,1183 0.988,1184 1.166,1185 1.205,1186 0.284,1187 1.2,1188 0.915,1189 0.873,1190 1.071,1191 1.066,1192 0.2,1193 1.091,1194 0.854,1195 0.802,1196 1.008,1197 1.037,1198 0.093,1199 1.053,1200 0.786,1201 0.73,1202 0.984,1203 0.97,1204 0.055,1205 0.997,1206 4.043,1208 5.38,1209 2.398,1210 6.93,1211 4.844,1212 8.576,1213 7.066,1214 10.269,1222 1.15,1223 3.354,1224 11.186,1231 25.81,1232 63.611,1233 132.101,1234 158.508,1235 174.117,1236 176.117,1237 178.117,1238 24.751,1239 7.999,1240 69.16,1241 97.4,1242 29,1243 12.646,1244 4.459,1245 3.524,1246 30.368,1247 81,1248 76,1249 0.184,1250 156.827,1251 253.59,1252 374.419,1253 35359,1255 15.933,1256 0.664,1257 0.556,1258 16.286,1259 13.339,1260 11.882,1261 0.424,1262 0.298,1263 7.472,1264 10.923,1265 7.302,1266 5.965,1267 12.29,1268 8.349,1269 10.682,1270 0.267,1271 0.16,1272 11.298,1273 6.388,1274 9.645,1275 0.169,1276 0.087,1277 10.504,1278 4.956,1279 8.64,1280 0.108,1281 0.048,1282 9.617,1283 3.806,1284 7.498,1285 0.071,1286 0.025,1287 8.447,1288 2.681,1289 0.284,1290 78.962,1291 0.224,1292 23.202,1293 0.514,1294 136,1295 417.6,1296 176.036,1297 418.787,1298 591.16,1299 398,1300 165,1301 435.3,1302 206.717,1303 451.94,1304 673.91,1305 428,1306 5} {0 CHEMBL2153539,1 1.887,2 8.636,3 4.862,4 23.643,5 88.104,6 12.508,7 0.84,8 3.576,9 3.658,10 3.627,11 3.305,12 4.832,13 3.274,14 4.029,15 4.13,16 4.09,17 3.708,18 5.31,19 3.654,20 4.213,21 4.348,22 4.184,23 3.738,24 5.511,25 3.676,26 4.129,27 4.281,28 4.052,29 3.594,30 5.436,31 3.531,32 3.989,33 4.159,34 3.746,35 3.439,36 5.279,37 3.382,38 3.912,39 4.046,40 3.765,41 3.429,42 5.209,43 3.369,44 3.881,45 4.06,46 3.688,47 3.292,48 5.182,49 3.209,50 3.593,51 3.773,52 3.875,53 3.134,54 4.888,55 3.001,56 0.09,57 0.511,58 0.852,59 2.005,60 4.736,61 1.83,62 0.189,63 0.842,64 1.763,65 3.497,66 11.617,67 3.073,68 0.347,69 1.089,70 18.118,71 5.8,72 25.749,73 4.663,74 0.364,75 0.968,76 16.955,77 5.75,78 30.994,79 4.478,80 0.321,81 0.857,82 9.389,83 4.465,84 29.613,85 3.865,86 0.21,87 0.793,88 9.519,89 4.075,90 12.893,91 3.019,92 0.295,93 0.76,94 9.569,95 4.41,96 27.26,97 3.872,98 0.199,99 0.517,100 15.063,101 3.683,102 17.5,103 3.376,104 5,105 36,106 0.347,107 0.656,108 0.818,109 0.902,110 0.902,111 0.902,112 3.148,113 0.964,114 -4.92,115 -4.83,116 -4.53,117 1,119 50,133 5,135 3,136 1,137 2,138 1,139 1,143 2,159 2,161 1,162 1,164 1,166 1,168 4,171 1,172 4,176 3,178 3,182 2,185 1,193 1,194 4,197 1,199 2,202 1,206 2,211 1,213 2,217 4,224 1,229 2,237 4,242 1,250 2,255 594,256 15.085,257 15.085,258 15.085,259 15.085,260 15.085,261 12.574,262 11.087,263 8.822,264 15.696,265 12.364,266 12.364,267 12.364,268 12.364,269 12.364,270 8.654,271 16.722,272 4.202,273 13.491,274 3.02,275 1.334,276 0.454,280 3.849,284 1,285 424,286 2.236,288 30.11,289 145.644,291 123.093,295 1.215,296 21.871,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47.25,307 190,308 4.745,309 3.309,310 6.861,311 4.192,312 3.261,313 4.842,314 0.4,315 11.469,316 3.03,317 4.248,318 3.189,319 6.135,320 3.812,321 2.872,322 3.899,324 8.993,325 2.684,326 3.963,327 2.733,328 5.914,329 3.452,330 2.518,331 3.623,333 8.155,334 2.34,335 3.479,336 2.562,337 5.172,338 2.98,339 2.108,340 2.852,342 6.045,343 1.814,344 3.357,345 2.022,346 4.95,347 2.811,348 1.899,349 2.718,351 5.685,352 1.631,353 3.064,354 1.785,355 4.503,356 2.476,357 1.591,358 2.332,360 4.283,361 1.392,362 2.842,363 1.564,364 4.111,365 2.377,366 1.43,367 1.99,369 3.585,370 1.341,371 2.818,372 1.325,373 3.812,374 2.24,375 1.322,376 1.964,378 3.057,379 1.206,380 2.65,381 1.209,382 3.601,383 2.125,384 1.176,385 1.72,386 2.834,387 1.106,388 2,389 0.76,390 3.216,391 1.461,392 0.581,393 0.799,394 1.443,395 0.494,396 1.578,397 0.465,398 2.923,399 1.122,400 0.255,401 0.33,402 0.615,403 0.203,404 1.066,405 0.229,406 2.416,407 0.575,408 -0.315,409 -0.415,411 -0.778,412 -0.239,413 0.799,414 -0.103,415 2.359,416 0.316,417 -0.515,418 -0.621,420 -1.242,421 -0.338,422 0.797,423 -0.662,424 2.325,425 0.224,426 -0.701,427 -1.051,429 -1.78,430 -0.629,431 0.618,432 -0.701,433 2.136,434 0.077,435 -0.818,436 -1.129,438 -2.131,439 -0.7,440 11.552,441 0.525,442 0.538,443 0.024,444 33.25,445 1.511,446 18.5,447 0.841,448 14.75,449 0.67,450 15.868,451 0.721,452 20.848,453 0.695,454 19.667,455 0.894,456 6.181,457 0.281,458 4.539,459 0.206,460 0.14,462 0.346,464 1,466 0.666,467 0.922,468 0.474,469 0.636,470 0.549,471 0.637,472 0.736,473 0.888,474 0.602,475 0.714,476 0.637,477 0.749,478 0.969,479 1.144,480 1.056,481 1.166,482 0.965,483 1.012,484 1.235,485 1.189,486 0.883,487 1.115,488 1.264,489 1.052,490 0.87,491 0.832,492 0.47,493 0.851,494 0.88,495 0.915,496 1.097,497 1.218,498 0.809,499 1.116,500 1.038,501 1.105,502 1.136,503 1.012,504 0.756,505 1.001,506 1.252,507 1.075,508 0.758,509 0.752,510 0.94,511 0.656,512 0.745,513 0.858,514 4,515 0.038,516 2.667,517 1.764,518 1.244,519 0.441,520 0.394,521 0.373,522 0.121,523 0.126,524 5001,525 18309,526 2.176,527 26.7,529 5,531 2,532 1,536 1.647,537 2.063,538 3.107,539 -0.22,545 56.603,546 1.887,547 3.573,548 4.453,549 4.907,550 4.907,551 4.907,552 2.487,553 4.278,554 4.434,555 3.21,556 741.416,557 7.623,558 7881.89,560 1,563 147.207,564 1.322,565 4.403,566 0.16,567 0.009,568 0.074,569 0.049,570 0.041,571 0.017,572 0.016,573 0.019,574 0.008,575 0.011,576 0.404,577 0.33,578 1,579 0.517,580 99.56,581 -0.085,582 -0.081,583 -0.005,584 0.025,585 -0.064,586 0.027,587 -0.042,588 0.009,589 -0.008,590 0.052,591 -0.028,592 -0.018,593 0.001,594 -0.143,595 -0.11,596 -0.176,597 -0.032,598 -0.108,599 -0.103,600 -0.108,601 -0.052,602 -0.132,603 -0.079,604 -0.107,605 0.069,606 0.162,607 0.008,608 0.017,609 0.041,610 0.025,611 -0.16,612 -0.226,613 -0.104,614 -0.219,615 -0.106,616 -0.237,617 -0.003,618 0.034,619 0.006,620 -0.026,621 -0.023,622 -0.025,623 0.17,624 0.122,625 0.281,626 0.368,627 0.182,628 0.266,629 2.014,630 5.996,631 0.864,632 15,633 1.029,634 1.111,635 3.69,636 13.614,637 0.808,638 3.258,639 3.611,640 3.932,641 4.248,642 4.511,643 4.585,644 4.727,645 4.905,646 4.905,647 4.956,648 5.122,649 0.775,650 375.24,651 3.258,652 4.812,653 5.687,654 6.586,655 7.48,656 8.386,657 9.288,658 10.197,659 11.103,660 12.014,661 13.3,669 1,671 3,674 4,675 7,676 3,679 1,680 4,682 21,692 1,698 2,699 30,700 21,701 1,702 25,703 1,704 33,705 15,706 15,707 3,708 3,710 4,711 7,721 15,734 1,736 8,737 5,738 1,739 7,740 2,743 4,747 0.5,754 1,755 1,759 1,760 3,762 2,777 2,779 1,780 1,783 1,785 22,790 1,797 1,800 2,808 10.667,809 5.636,810 4.722,811 1.692,812 4.338,813 1.585,814 1.082,815 3.416,816 11.75,817 3.597,818 4.314,819 5.012,820 5.71,821 6.341,822 6.731,823 7.226,824 7.752,825 8.018,826 8.402,827 0.833,828 36,829 8.097,831 3.55,832 7.837,833 15.206,835 12.67,837 2.337,838 51.417,842 82.398,843 119.366,844 114.321,847 14.96,848 31.278,849 134.042,850 82.398,851 83.327,854 47.381,855 73.899,856 54.898,857 18.78,858 90.133,859 45.954,860 82.398,861 156.455,862 14.96,863 31.278,864 45.954,865 97.358,869 39.965,870 66.134,871 50.357,872 77.232,873 97.358,874 68.367,875 165.32,878 82.398,879 54.318,880 65.047,881 63.965,882 65.317,883 82.398,884 83.327,885 165.32,887 0.587,888 0.35,889 0.199,890 0.112,891 20,892 8,893 0.061,894 2,895 2,896 1.211,897 3.446,898 183.729,899 0.211,900 19,901 98.107,902 1,904 13.83,905 5.434,906 2.451,907 3.496,908 83.327,909 11.911,910 12.905,913 1.535,914 1.289,916 18.011,917 331.045,918 35.5,926 30.876,927 33.34,928 0.385,929 0.728,930 0.908,931 1,932 1,933 1,934 4.822,935 1.322,936 5.68,937 3.585,938 4.29,939 5.001,940 0.278,941 6.526,942 4.119,943 6.07,944 1.176,945 7.256,946 3.057,947 3.892,948 4.913,950 7.476,951 3.596,952 7.405,953 0.581,954 8.934,955 2.834,956 5.911,957 7.367,958 0.05,959 10.619,960 5.602,961 8.781,962 0.255,963 10.672,964 1.443,965 6.347,966 8.145,968 12.43,969 5.927,970 10.19,971 -0.315,972 12.45,973 0.615,974 7.84,975 10.059,976 0.008,977 15.089,978 7.398,979 11.626,980 -0.515,981 14.255,982 -0.778,983 8.67,984 11.259,986 17.259,987 8.127,988 13.082,989 -0.701,990 16.08,991 -1.242,992 9.952,993 12.955,994 0.001,995 19.759,996 9.372,997 3.261,998 -0.818,999 17.922,1000 -1.78,1001 10.965,1002 14.356,1004 22.08,1005 10.293,1006 2.872,1007 11.469,1008 19.775,1009 -2.131,1010 12.166,1011 15.966,1013 24.53,1014 11.441,1015 2.518,1016 8.993,1017 21.639,1018 4.842,1019 13.262,1020 17.461,1022 26.915,1023 12.452,1024 2.108,1025 8.155,1026 23.511,1027 3.899,1028 14.435,1029 19.042,1031 29.351,1032 13.564,1033 1.899,1034 6.045,1035 25.39,1036 3.623,1037 15.569,1038 20.579,1040 31.764,1041 14.617,1042 1.591,1043 5.685,1044 27.275,1045 2.852,1046 16.735,1047 22.151,1049 34.198,1050 15.715,1051 1.43,1052 4.283,1053 29.164,1054 2.718,1055 17.888,1056 23.707,1058 36.625,1059 16.79,1060 4704,1061 9126,1062 17.107,1063 24.245,1064 38.246,1065 38.667,1066 39.034,1067 38.206,1068 38.025,1069 54.14,1070 0.8,1071 112.326,1072 34.477,1073 5.515,1074 5.309,1075 6.542,1076 5.318,1077 5.261,1078 7.842,1079 0.8,1080 18.845,1081 5.03,1082 8.228,1083 1.53,1084 1.547,1085 1.561,1086 1.528,1087 1.521,1088 2.166,1089 0.032,1090 4.493,1091 1.379,1092 4.147,1093 4.164,1094 6.88,1095 4.135,1096 8.201,1097 4.092,1098 3.901,1099 3.925,1100 4.393,1101 3.851,1102 5.13,1103 3.837,1104 3.616,1105 3.668,1106 3.794,1107 3.478,1108 4.776,1109 3.49,1110 3.088,1111 3.144,1112 3.553,1113 3.006,1114 4.643,1115 2.967,1116 3.034,1117 3.077,1118 3.323,1119 2.936,1120 4.101,1121 2.895,1122 2.898,1123 2.957,1124 2.933,1125 2.733,1126 3.989,1127 2.735,1128 2.789,1129 2.848,1130 2.809,1131 2.679,1132 3.84,1133 2.661,1134 2.617,1135 2.667,1136 2.692,1137 2.48,1138 3.646,1139 2.475,1140 0.19,1141 0.132,1142 0.274,1143 0.168,1144 0.13,1145 4.745,1146 0.194,1147 3.309,1148 0.016,1149 6.861,1150 0.459,1151 4.192,1152 0.121,1153 3.261,1154 4.842,1155 0.4,1156 11.469,1157 3.03,1158 1.903,1159 1.876,1160 1.956,1161 2.034,1162 1.07,1163 2.013,1164 1.861,1165 1.838,1166 1.917,1167 1.953,1168 1.025,1169 1.955,1170 1.721,1171 1.708,1172 1.715,1173 1.815,1174 0.889,1175 1.821,1176 1.032,1177 0.997,1178 1.135,1179 1.222,1180 0.286,1181 1.216,1182 0.931,1183 0.905,1184 1.105,1185 1.068,1186 0.191,1187 1.08,1188 0.86,1189 0.804,1190 1.015,1191 1.037,1192 0.12,1193 1.072,1194 0.837,1195 0.783,1196 0.991,1197 0.988,1198 0.029,1199 1.019,1200 0.586,1201 0.524,1202 0.749,1203 0.767,1205 0.798,1206 3.932,1208 5.273,1209 2.398,1210 6.819,1211 4.844,1212 8.459,1213 7.066,1214 10.145,1215 3.245,1218 13.996,1223 3.039,1231 23.262,1232 56.603,1233 107.191,1234 133.597,1235 147.207,1236 147.207,1237 147.207,1238 29.579,1239 7.412,1240 50.7,1241 78.94,1242 23,1243 12.53,1244 4.459,1245 3.524,1246 29.854,1247 67,1248 70,1249 0.222,1250 150.156,1251 239.12,1252 358.14,1253 16131,1254 6.7,1255 15.104,1256 0.687,1257 0.611,1258 15.587,1259 13.45,1260 10.72,1261 0.429,1262 0.321,1263 6.455,1264 9.341,1265 6.234,1266 5.111,1267 11.295,1268 8.035,1269 9.854,1270 0.274,1271 0.182,1272 10.757,1273 6.569,1274 8.575,1275 0.172,1276 0.097,1277 9.568,1278 4.828,1279 7.494,1280 0.109,1281 0.052,1282 8.33,1283 3.599,1284 6.291,1285 0.07,1286 0.028,1287 7.573,1288 2.517,1289 0.338,1290 79.413,1291 0.242,1292 21.324,1293 0.636,1294 122,1295 420.894,1296 224.651,1297 445.507,1298 599.96,1299 416,1300 147,1301 403.457,1302 213.207,1303 432.572,1304 640.15,1305 408,1306 5.137} {0 CHEMBL2153540,1 1.908,2 8.875,3 3.536,4 12.5,5 89.284,6 10.284,7 0.778,8 3.687,9 3.767,10 3.558,11 3.297,12 5.042,13 3.304,14 4.116,15 4.206,16 3.967,17 3.697,18 5.584,19 3.686,20 4.306,21 4.432,22 4.067,23 3.736,24 5.647,25 3.731,26 4.329,27 4.471,28 3.91,29 3.654,30 5.843,31 3.634,32 4.2,33 4.367,34 3.698,35 3.519,36 5.573,37 3.485,38 4.059,39 4.198,40 3.583,41 3.452,42 5.358,43 3.413,44 4.007,45 4.179,46 3.54,47 3.329,48 5.369,49 3.297,50 3.846,51 3.978,52 3.59,53 3.138,54 5.321,55 3.183,56 0.216,57 0.549,58 2.939,59 2.529,60 14.11,61 2.023,62 0.335,63 0.857,64 4.85,65 4.211,66 46.16,67 3.414,68 0.411,69 1.041,70 10.764,71 5.223,72 34.745,73 4.405,74 0.631,75 0.975,76 12.981,77 5.975,78 88.23,79 5.046,80 0.528,81 0.87,82 12.487,83 5.101,84 54.343,85 4.428,86 0.389,87 0.763,88 9.082,89 4.438,90 47.292,91 3.284,92 0.377,93 0.706,94 9.915,95 4.185,96 39.654,97 4.195,98 0.29,99 0.578,100 8.178,101 3.595,102 29.659,103 2.82,104 11,105 39,106 0.341,107 0.663,108 0.816,109 0.89,110 0.89,111 0.89,112 3.229,113 0.853,114 -3.46,115 -3.44,116 -3.28,119 45.5,133 5,135 3,136 1,137 2,138 1,139 1,143 2,155 2,159 2,161 2,162 2,164 1,166 3,168 2,171 1,172 7,174 1,176 4,178 2,182 6,185 4,193 1,194 5,197 3,198 1,199 1,202 2,205 1,206 3,211 1,213 1,216 2,217 4,220 1,224 2,228 1,229 3,234 1,237 3,241 3,242 1,245 1,250 1,255 754,256 16.292,257 16.292,258 16.292,259 16.292,260 16.292,261 13.529,262 14.828,263 9.479,264 16.777,265 13.338,266 13.338,267 13.338,268 13.338,269 13.338,270 9.231,271 24.667,272 4.484,273 14.182,274 3.136,275 1.334,276 0.473,277 0.061,278 0.061,279 0.061,280 3.928,283 1,284 1,285 468,286 2.828,288 34.87,289 167.102,291 141.844,295 1.313,296 31.614,298 1,299 1,300 1,301 1,302 0.4,304 0.83,305 0.75,306 53.5,307 213,308 4.745,309 3.807,310 6.86,311 4.191,312 3.26,313 4.842,314 2.612,315 11.466,316 3.029,317 4.407,318 3.281,319 6.368,320 3.941,321 2.977,322 4.136,323 0.4,324 9.573,325 2.865,326 4.012,327 2.846,328 6.007,329 3.538,330 2.598,331 3.656,333 8.52,334 2.434,335 3.691,336 2.631,337 5.327,338 3.175,339 2.214,340 3.169,342 6.687,343 2.122,344 3.415,345 2.26,346 5.079,347 2.849,348 1.905,349 2.814,351 5.778,352 1.795,353 3.297,354 1.899,355 4.695,356 2.762,357 1.824,358 2.598,360 4.746,361 1.703,362 3.052,363 1.583,364 4.44,365 2.463,366 1.567,367 2.318,369 4.119,370 1.388,371 2.822,372 1.362,373 3.812,374 2.24,375 1.323,376 1.983,378 3.059,379 1.206,380 2.656,381 1.325,382 3.61,383 2.132,384 1.184,385 1.728,386 2.84,387 1.114,388 2.607,389 1.212,390 3.6,391 2,392 1,393 1.596,394 2.424,395 1,396 1.989,397 1,398 3.208,399 1.435,400 0.553,401 0.774,402 1.39,403 0.48,404 1.49,405 0.668,406 2.9,407 1.074,408 0.165,409 0.212,411 0.401,412 0.148,413 1.092,414 0.42,415 2.415,416 0.636,417 -0.277,418 -0.361,420 -0.678,421 -0.25,422 1,423 -0.051,424 2.324,425 0.237,426 -0.7,427 -1.003,429 -1.78,430 -0.627,431 0.799,432 -0.564,433 2.301,434 0.204,435 -0.732,436 -1.051,438 -2,439 -0.682,440 11.333,441 0.472,442 0.627,443 0.026,444 38.5,445 1.604,446 22,447 0.917,448 16.5,449 0.688,450 14.29,451 0.595,452 24.067,453 0.729,454 26.447,455 1.102,456 7.443,457 0.31,458 4.188,459 0.175,460 0.088,462 0.388,466 0.644,467 1.024,468 0.641,469 0.7,470 0.645,471 0.672,472 0.611,473 1.014,474 0.766,475 0.86,476 0.46,477 0.827,478 0.805,479 1.3,480 0.977,481 1.203,482 0.673,483 1.011,484 0.961,485 1.045,486 1.141,487 1.042,488 0.851,489 1.047,490 0.938,491 0.792,492 1.19,493 0.888,494 0.965,495 0.98,496 1.172,497 1.047,498 1.374,499 1.091,500 1.111,501 1.169,502 0.671,503 0.971,504 0.963,505 1.007,506 0.614,507 1.033,508 1.087,509 1.08,510 0.768,511 1.254,512 1.179,513 0.946,514 4.5,515 0.084,516 2.889,517 2.139,518 1.324,519 0.511,520 0.494,521 0.327,522 0.219,523 0.252,524 6295,525 23573,526 2.135,527 27.3,529 5,531 2,532 2,536 1.67,537 2,538 3.175,539 0.42,541 1,543 1,545 62.968,546 1.908,547 3.711,548 4.571,549 4.984,550 4.984,551 4.984,552 2.519,553 4.252,554 4.561,555 3.318,556 915.648,557 7.874,558 10527.2,559 1,560 1,561 1,562 1,563 166.465,564 1.406,565 4.518,566 0.167,567 0.008,568 0.074,569 0.053,570 0.038,571 0.018,572 0.019,573 0.014,574 0.01,575 0.015,576 0.415,577 0.5,578 1,579 0.757,580 112.711,581 0.042,582 0.024,583 0.016,584 0.147,585 -0.08,586 0.074,587 0.073,588 0.032,589 0.018,590 0.061,591 0.154,592 -0.026,593 -0.032,594 -0.263,595 0.04,596 -0.185,597 -0.024,598 -0.093,599 0.035,600 -0.072,601 -0.092,602 -0.023,603 0.136,604 -0.058,605 -0.027,606 0.214,607 -0.148,608 0.106,609 -0.059,610 0.036,611 -0.306,612 -0.046,613 -0.38,614 -0.089,615 -0.264,616 -0.221,617 0.147,618 -0.004,619 0.072,620 -0.02,621 0.124,622 0.035,623 -0.028,624 -0.121,625 0.276,626 -0.244,627 -0.078,628 0.028,629 2.639,630 3.942,631 0.792,632 17.319,633 1.04,634 1.117,635 2.228,636 4.964,637 0.744,638 3.332,639 3.689,640 4.007,641 4.317,642 4.564,643 4.635,644 4.812,645 4.97,646 4.977,647 5.088,648 5.554,649 0.742,650 339.36,651 3.332,652 4.89,653 5.765,654 6.666,655 7.56,656 8.465,657 9.366,658 10.273,659 11.179,660 12.088,661 15.2,669 1,671 3,672 1,674 4,675 7,676 3,679 1,680 4,682 21,692 1,694 1,696 1,699 33,700 23,701 1,702 27,704 36,705 15,706 15,707 3,708 3,710 4,711 7,721 15,724 2,726 1,728 2,732 1,733 1,736 9,737 7,738 2,739 9,740 1,743 5,747 0.5,748 3,754 1,755 1,759 1,760 3,762 2,777 2,779 1,785 24,788 1,790 1,797 1,801 9.1,803 1,807 2,808 12,809 6.083,810 5.167,811 1.788,812 4.525,813 1.596,814 1.014,815 3.561,816 12.113,817 3.701,818 4.416,819 5.089,820 5.782,821 6.399,822 6.785,823 7.301,824 7.796,825 8.07,826 8.497,827 0.833,828 40,829 8.81,831 3.912,832 8.111,833 16.121,835 13.327,837 2.611,838 62.667,842 82.398,843 109.946,844 74.037,846 93.43,848 31.278,849 78.669,850 175.828,851 74.037,852 5.67,854 47.381,855 116.582,856 45.479,857 3.82,858 90.133,859 50.747,860 82.398,861 152.706,862 93.43,863 31.278,865 82.398,866 42.683,867 50.747,869 39.965,870 56.714,871 56.027,872 31.278,873 82.398,874 167.468,875 109.946,878 82.398,879 44.899,880 70.717,881 18.011,882 143.787,883 82.398,884 167.468,885 109.946,887 0.589,888 0.353,889 0.199,890 0.108,891 21,892 9,893 0.083,894 3,895 2,896 1.211,897 3.588,898 205.712,899 0.211,900 19,901 108.039,902 1,904 14.876,905 5.745,906 2.594,907 3.302,908 161.798,909 10.987,910 12.839,913 1.488,914 0.223,916 60.694,917 359.812,918 39.5,920 -0.639,922 21.884,926 34.335,927 36.87,928 0.378,929 0.736,930 0.906,931 0.988,932 0.988,933 0.988,934 4.929,935 1.323,936 5.765,937 4.119,938 4.369,939 5.103,940 2.527,941 6.619,942 4.247,943 6.184,944 1.184,945 7.349,946 3.059,947 4.007,948 5.075,949 2.361,950 7.594,951 3.83,952 7.525,953 1,954 9.035,955 2.84,956 5.999,957 7.472,958 4.155,959 10.728,960 5.762,961 8.907,962 0.553,963 10.78,964 2.424,965 6.463,966 8.288,967 4.506,968 12.548,969 6.159,970 10.321,971 0.165,972 12.564,973 1.39,974 7.938,975 10.164,976 5.948,977 15.199,978 7.584,979 11.759,980 -0.277,981 14.375,982 0.401,983 8.783,984 11.379,985 6.556,986 17.366,987 8.354,988 13.217,989 -0.7,990 16.205,991 -0.678,992 10.057,993 13.053,994 7.794,995 19.857,996 9.575,997 3.26,998 -0.732,999 18.049,1000 -1.78,1001 11.076,1002 14.456,1003 8.548,1004 22.171,1005 10.517,1006 2.977,1007 11.466,1008 19.905,1009 -2,1010 12.271,1011 16.053,1012 9.67,1013 24.611,1014 11.656,1015 2.598,1016 9.573,1017 21.77,1018 4.842,1019 13.368,1020 17.544,1021 10.509,1022 26.987,1023 12.677,1024 2.214,1025 8.52,1026 23.643,1027 4.136,1028 14.537,1029 19.115,1030 11.563,1031 29.415,1032 13.783,1033 1.905,1034 6.687,1035 25.521,1036 3.656,1037 15.67,1038 20.646,1039 12.452,1040 31.82,1041 14.841,1042 1.824,1043 5.778,1044 27.405,1045 3.169,1046 16.832,1047 22.211,1048 13.468,1049 34.246,1050 15.936,1051 1.567,1052 4.746,1053 29.293,1054 2.814,1055 17.981,1056 23.762,1057 14.386,1058 36.665,1059 17.011,1060 5976,1061 11702,1062 18.205,1063 24.563,1064 41.253,1065 42.752,1066 42.48,1067 41.111,1068 41.139,1069 59.649,1070 6.025,1071 122.008,1072 38.569,1073 5.514,1074 5.807,1075 6.541,1076 5.317,1077 5.26,1078 7.842,1079 4.612,1080 18.836,1081 5.029,1082 10.776,1083 1.528,1084 1.583,1085 1.573,1086 1.523,1087 1.524,1088 2.209,1089 0.223,1090 4.519,1091 1.428,1092 4.15,1093 4.167,1094 4.394,1095 4.135,1096 7.815,1097 4.092,1098 3.978,1099 3.998,1100 3.959,1101 3.844,1102 6.999,1103 3.858,1104 3.636,1105 3.688,1106 3.592,1107 3.478,1108 6.468,1109 3.493,1110 3.475,1111 3.502,1112 3.446,1113 3.057,1114 5.13,1115 3.149,1116 3.085,1117 3.135,1118 3.322,1119 2.975,1120 4.777,1121 2.939,1122 3.035,1123 3.078,1124 3.007,1125 2.845,1126 4.587,1127 2.86,1128 2.806,1129 2.86,1130 2.777,1131 2.649,1132 4.021,1133 2.651,1134 2.657,1135 2.724,1136 2.541,1137 2.467,1138 3.989,1139 2.475,1140 0.176,1141 0.141,1142 0.254,1143 0.155,1144 0.121,1145 4.745,1146 0.179,1147 3.807,1148 0.097,1149 6.86,1150 0.425,1151 4.191,1152 0.112,1153 3.26,1154 4.842,1155 2.612,1156 11.466,1157 3.029,1158 1.922,1159 1.896,1160 1.991,1161 2.094,1162 1.083,1163 2.052,1164 1.87,1165 1.843,1166 1.934,1167 2.003,1168 1.026,1169 1.98,1170 1.728,1171 1.715,1172 1.721,1173 1.852,1174 0.89,1175 1.844,1176 1.204,1177 1.173,1178 1.282,1179 1.648,1180 0.284,1181 1.549,1182 1.019,1183 0.989,1184 1.173,1185 1.259,1186 0.213,1187 1.231,1188 0.93,1189 0.897,1190 1.03,1191 1.038,1192 0.146,1193 1.086,1194 0.843,1195 0.787,1196 0.998,1197 1.025,1198 0.03,1199 1.033,1200 0.612,1201 0.545,1202 0.864,1203 0.898,1205 0.888,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1221 9.537,1223 3.046,1231 24.492,1232 62.968,1233 122.449,1234 150.855,1235 164.465,1236 164.465,1237 164.465,1238 39.532,1239 7.588,1240 116.75,1241 144.99,1242 23,1243 12.604,1244 4.585,1245 3.755,1246 33.833,1247 80,1248 66,1249 0.21,1250 152.899,1251 248.5,1252 364.834,1253 20179,1255 16.681,1256 0.695,1257 0.534,1258 17.035,1259 12.819,1260 11.631,1261 0.431,1262 0.284,1263 6.807,1264 10.62,1265 6.651,1266 5.477,1267 12.039,1268 7.676,1269 10.763,1270 0.276,1271 0.154,1272 11.378,1273 5.99,1274 9.22,1275 0.171,1276 0.085,1277 10.079,1278 4.586,1279 8.046,1280 0.109,1281 0.046,1282 9.023,1283 3.432,1284 6.703,1285 0.071,1286 0.025,1287 7.652,1288 2.371,1289 0.323,1290 78.115,1291 0.234,1292 23.074,1293 0.592,1294 132,1295 471.394,1296 173.23,1297 475.791,1298 643.48,1299 440,1300 159,1301 466.786,1302 201.222,1303 481.658,1304 705.55,1305 452,1306 5.237} {0 CHEMBL2153541,1 1.763,2 5,3 0.521,4 0.271,5 54.275,6 10.697,7 0.938,8 3.161,9 3.266,10 3.104,11 2.806,12 4.465,13 2.796,14 3.573,15 3.699,16 3.529,17 3.178,18 4.868,19 3.151,20 3.61,21 3.744,22 3.586,23 3.132,24 4.916,25 3.111,26 3.457,27 3.591,28 3.175,29 2.977,30 4.729,31 2.896,32 3.311,33 3.535,34 2.588,35 2.514,36 4.571,37 2.441,38 2.831,39 3.061,40 2.027,41 2.008,42 4.066,43 1.986,44 2.477,45 2.769,46 0.644,47 1.477,48 3.332,49 1.238,50 1.693,51 2.115,52 0.035,53 0.545,54 1.792,55 0.298,56 0.075,57 0.377,58 1.429,59 1.342,60 6.426,61 0.904,62 0.152,63 0.583,64 3.486,65 2.227,66 11.884,67 1.564,68 0.167,69 0.615,70 4.704,71 2.309,72 12.113,73 1.535,74 0.12,75 0.492,76 6.152,77 2.806,78 10.096,79 2.202,80 0.169,81 0.378,82 6.168,83 2.246,84 14.835,85 2.07,86 0.097,87 0.219,88 1.82,89 0.889,90 6.899,91 0.568,92 0.07,93 0.121,94 2.069,95 0.919,96 7.07,97 0.977,98 0.04,99 0.033,100 3.253,101 0.767,102 4.571,103 1.195,104 2,105 23,106 0.365,107 0.675,108 0.814,109 0.835,110 0.857,111 0.857,112 2.739,113 0.895,114 -1.08,115 -1.18,116 -1.27,119 42.1,136 2,137 2,138 1,139 1,143 1,150 1,152 1,153 1,154 1,161 1,162 1,163 1,164 1,171 2,172 3,176 1,180 1,181 1,184 1,185 1,193 2,196 2,197 2,255 128,256 9.707,257 9.707,258 9.707,259 9.707,260 9.707,261 7.972,262 3.162,263 5.704,264 10.143,265 7.91,266 7.91,267 7.91,268 7.91,269 7.91,270 5.353,271 2.5,272 2.695,273 8.66,274 2.485,275 0.987,276 0.316,277 0.211,278 0.105,279 0.105,280 3.411,285 155,286 1.581,288 15.39,289 44.908,291 63.477,295 0.714,296 12.399,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 30.5,307 70,308 4.738,309 3.258,310 6.843,311 4.173,312 3.247,313 4.838,315 11.378,316 3.002,317 3.956,318 2.549,319 5.906,320 3.429,321 2.5,322 3.623,324 8.034,325 2.312,326 3.379,327 1.926,328 5.111,329 2.805,330 1.902,331 2.795,333 5.782,334 1.713,335 3.057,336 1.584,337 4.349,338 2.458,339 1.571,340 2.326,342 3.955,343 1.378,344 2.822,345 1.325,346 3.811,347 2.234,348 1.323,349 1.983,351 3.054,352 1.198,353 2.649,354 1.2,355 3.598,356 2.098,357 1.176,358 1.719,360 2.812,361 1.078,362 1.955,363 0.531,364 3.089,365 1.34,366 0.492,367 0.709,369 1.19,370 0.411,371 1.09,372 -0.199,373 2.416,374 0.596,375 -0.301,376 -0.402,378 -0.687,379 -0.268,380 0.799,381 -0.701,382 2.281,383 0.208,384 -0.701,385 -1.051,386 -1.78,387 -0.624,388 0.587,389 -0.867,390 2,391 0.023,392 -0.889,393 -1.298,394 -2.21,395 -0.806,396 0.313,397 -1.157,398 2,399 -0.259,400 -1.176,401 -1.719,402 -3.298,403 -1.078,404 -0.059,405 -1.289,406 1.451,407 -0.456,408 -1.377,409 -1.89,411 -3.576,412 -1.267,413 -0.371,414 -1.862,415 1.259,416 -0.896,417 -1.865,418 -2.79,420 -5.268,421 -1.501,422 -0.416,423 -1.898,424 1.096,425 -1.067,426 -1.902,427 -2.844,429 -5.893,430 -1.783,431 -0.5,432 -2,433 0.473,434 -1.071,435 -2,436 -3,438 -6.21,439 -1.867,440 6.833,441 0.488,442 0.312,443 0.022,444 22.75,445 1.625,446 12.5,447 0.893,448 10.25,449 0.732,450 7.022,451 0.502,452 13.567,453 0.714,454 11.523,455 0.823,456 4.279,457 0.306,458 2.581,459 0.184,460 0.059,462 0.366,466 1.122,467 1.161,468 0.664,469 0.703,470 1.19,471 0.62,472 0.972,473 0.929,474 0.772,475 0.731,476 0.828,477 0.595,478 0.923,479 1.224,480 0.861,481 1.097,482 0.969,483 0.796,484 0.816,485 1.222,486 1.557,487 1.553,488 0.864,489 1.361,490 0.827,491 0.752,492 1.296,493 1.19,494 0.669,495 1.371,496 1.815,497 0.979,498 0.913,499 0.716,500 1.634,501 1.239,502 1.299,503 0.692,504 1.153,505 1.011,506 1.933,507 1.847,514 2,516 1.778,517 1.326,518 0.671,519 0.181,520 0.08,524 1290,525 4421,526 2.2,527 26.3,531 3,532 2,536 1.515,537 2.1,538 2.447,539 0.686,545 33.491,546 1.763,547 3.261,548 3.932,549 4.037,550 4.143,551 4.143,552 1.577,553 3.522,554 3.786,555 2.439,556 221.921,557 6.335,558 1691.56,560 1,563 80.711,564 1.264,565 3.757,566 0.125,568 0.077,569 0.06,570 0.042,571 0.02,572 0.016,576 0.341,577 0.67,578 1,579 0.544,580 50.769,581 -0.332,582 -0.156,583 0.001,584 0.09,585 -0.35,586 0.08,587 -0.091,588 0.103,589 0.086,590 0.188,591 -0.063,592 0.181,593 0.038,594 -0.189,595 0.156,596 -0.092,597 -0.089,598 0.018,599 0.017,600 -0.241,601 -0.427,602 -0.444,603 0.054,604 -0.44,605 0.259,606 0.145,607 -0.305,608 -0.253,609 0.381,610 -0.3,611 -0.697,612 -0.108,613 -0.286,614 -0.057,615 -0.491,616 -0.293,617 -0.281,618 -0.011,619 -0.192,620 -0.126,621 -0.668,622 -0.459,623 1.134,624 0.366,625 1.793,626 1.418,627 1.282,628 2.422,629 1.181,630 1.724,631 0.929,632 5.735,633 1.031,634 1.127,635 -0.146,636 0.021,637 0.772,638 2.833,639 3.178,640 3.526,641 3.85,642 4.078,643 4.094,644 4.143,645 4.19,646 3.85,647 3.611,648 3.26,649 0.752,650 203.25,651 2.833,652 4.369,653 5.252,654 6.155,655 7.059,656 7.969,657 8.879,658 9.792,659 10.704,660 11.617,661 26.3,665 1,671 4,674 4,675 3,676 4,679 1,680 1,682 15,691 1,699 19,700 15,702 16,704 21,705 8,706 8,710 3,711 6,721 8,736 5,737 5,738 2,739 6,740 1,743 5,747 0.333,751 1,755 1,759 1,760 2,762 2,777 1,779 1,785 14,786 1,797 1,808 6.667,809 3.55,810 3.028,811 0.994,812 3.25,813 1.521,814 1.086,815 1.537,816 9.492,817 3.199,818 3.937,819 4.691,820 5.426,821 6.055,822 6.46,823 6.922,824 7.371,825 7.403,826 7.582,827 0.5,828 22,829 5.095,830 0.002,831 2.203,832 7.798,833 9.542,834 0.001,835 7.853,837 2.298,838 32.167,839 0.004,842 35.313,843 65.67,844 100.039,848 31.278,849 34.392,850 35.313,851 100.039,854 32.897,855 102.772,856 31.002,857 3.074,858 31.278,860 35.313,861 134.432,863 31.278,865 35.313,869 31.319,870 35.971,871 67.142,872 31.278,873 35.313,874 100.039,875 65.67,878 35.313,879 38.957,880 26.713,882 100.039,883 35.313,884 100.039,885 65.67,887 0.584,888 0.359,889 0.21,890 0.117,891 14,892 5,895 2,896 1.308,897 2.654,898 97.563,899 0.308,900 13,901 53.303,902 1,904 7.857,905 2.74,906 1.054,907 3.274,908 100.039,909 4.743,910 16.476,913 1.465,914 0.486,916 32.897,917 201.023,918 23.5,926 19.585,927 21.412,928 0.415,929 0.768,930 0.926,931 0.95,932 0.975,933 0.975,934 4.404,935 -0.301,936 5.242,937 1.19,938 3.85,939 4.62,941 6.107,942 3.673,943 5.658,944 -0.701,945 6.828,946 -0.687,947 3.434,948 4.559,950 7.111,951 3.204,952 7,953 -0.889,954 8.521,955 -1.78,956 5.476,957 7.047,959 10.276,960 5.144,961 8.39,962 -1.176,963 10.28,964 -2.21,965 5.943,966 7.892,968 12.155,969 5.547,970 9.818,971 -1.377,972 12.08,973 -3.298,974 7.447,975 9.817,977 14.829,978 6.968,979 11.274,980 -1.865,981 13.908,982 -3.576,983 8.319,984 11.079,986 17.045,987 7.767,988 12.752,989 -1.902,990 15.756,991 -5.268,992 9.613,993 12.783,995 19.558,996 8.983,997 3.247,998 -2,999 17.619,1000 -5.893,1001 10.662,1002 14.228,1004 21.905,1005 9.954,1006 2.5,1007 11.378,1008 19.493,1009 -6.21,1010 11.876,1011 15.848,1013 24.363,1014 11.092,1015 1.902,1016 8.034,1017 21.376,1018 4.838,1019 12.999,1020 17.37,1022 26.761,1023 12.136,1024 1.571,1025 5.782,1026 23.266,1027 3.623,1028 14.186,1029 18.96,1031 29.201,1032 13.246,1033 1.323,1034 3.955,1035 25.161,1036 2.795,1037 15.339,1038 20.514,1040 31.619,1041 14.321,1042 1.176,1043 3.054,1044 27.061,1045 2.326,1046 16.517,1047 22.093,1049 34.053,1050 15.421,1051 0.492,1052 2.812,1053 28.964,1054 1.983,1055 17.684,1056 23.66,1058 36.479,1059 16.509,1060 1272,1061 2449,1062 11.038,1063 14.676,1064 24.551,1065 24.396,1066 25.163,1067 24.385,1068 24.421,1069 35.988,1071 72.41,1072 22.185,1073 5.238,1074 5.258,1075 6.524,1076 5.288,1077 5.247,1078 7.838,1080 18.662,1081 4.901,1082 3.955,1083 1.534,1084 1.525,1085 1.573,1086 1.524,1087 1.526,1088 2.249,1090 4.526,1091 1.387,1092 4.127,1093 4.149,1094 4.387,1095 4.097,1096 5.254,1097 4.057,1098 3.605,1099 3.672,1100 3.56,1101 3.406,1102 4.991,1103 3.436,1104 3.062,1105 3.137,1106 3.324,1107 2.981,1108 4.657,1109 2.935,1110 2.998,1111 3.073,1112 2.922,1113 2.746,1114 4.047,1115 2.759,1116 2.637,1117 2.722,1118 2.618,1119 2.398,1120 3.984,1121 2.404,1122 2.265,1123 2.352,1124 2.205,1125 2.058,1126 3.585,1127 2.051,1128 2.074,1129 2.164,1130 2.036,1131 1.804,1132 3.045,1133 1.803,1134 1.6,1135 1.696,1136 1.713,1137 1.444,1138 2.337,1139 1.368,1140 0.296,1141 0.204,1142 0.428,1143 0.261,1144 0.203,1145 4.738,1146 0.302,1147 3.258,1149 6.843,1150 0.711,1151 4.173,1152 0.188,1153 3.247,1154 4.838,1156 11.378,1157 3.002,1158 1.842,1159 1.804,1160 1.882,1161 2.007,1162 0.934,1163 1.975,1164 1.698,1165 1.677,1166 1.695,1167 1.842,1168 0.787,1169 1.836,1170 1.016,1171 0.985,1172 1.203,1173 1.283,1174 0.275,1175 1.271,1176 0.845,1177 0.794,1178 1.02,1179 1.006,1180 0.025,1181 1.035,1182 0.768,1183 0.662,1184 0.831,1185 0.958,1187 1.011,1188 0.287,1189 0.178,1190 0.602,1191 0.614,1193 0.62,1196 0.141,1197 0.279,1199 0.251,1206 3.497,1208 4.828,1209 2.398,1210 6.382,1211 4.844,1212 8.034,1213 7.066,1214 9.735,1220 5.724,1231 14.294,1232 33.491,1233 61.956,1234 74.711,1235 76.711,1236 78.711,1237 78.711,1238 12.41,1239 6.242,1240 77.58,1241 105.82,1242 17,1243 12.13,1244 4,1245 3.087,1246 18.019,1247 29,1248 19,1249 0.355,1250 92.867,1251 134.85,1252 218.355,1253 3352,1255 9.544,1256 0.682,1257 0.559,1258 9.897,1259 7.823,1260 6.86,1261 0.429,1262 0.298,1263 3.955,1264 6.133,1265 3.826,1266 3.154,1267 7.268,1268 4.774,1269 6.18,1270 0.269,1271 0.163,1272 6.796,1273 3.748,1274 5.57,1275 0.169,1276 0.091,1277 6.464,1278 3.018,1279 4.907,1280 0.107,1281 0.049,1282 5.855,1283 2.272,1284 4.077,1285 0.07,1286 0.025,1287 4.956,1288 1.478,1289 0.502,1290 47.349,1291 0.301,1292 13.6,1293 1.146,1294 78,1295 250.753,1296 112.2,1297 268.299,1298 375.27,1299 252,1300 95,1301 270.447,1302 129.743,1303 290.331,1304 430.51,1305 273,1306 5} {0 CHEMBL2153542,1 1.636,2 7.85,3 2.817,4 7.937,5 78.061,6 9.633,7 0.913,8 3.537,9 3.637,10 3.394,11 3.212,12 4.751,13 3.189,14 3.979,15 4.105,16 3.79,17 3.581,18 5.176,19 3.539,20 4.118,21 4.288,22 3.842,23 3.578,24 5.255,25 3.529,26 4.014,27 4.194,28 3.603,29 3.482,30 5.101,31 3.398,32 3.925,33 4.116,34 3.456,35 3.366,36 5.061,37 3.288,38 3.813,39 3.974,40 3.367,41 3.321,42 4.942,43 3.239,44 3.773,45 3.976,46 3.049,47 3.155,48 4.807,49 3.041,50 3.505,51 3.739,52 2.67,53 2.793,54 4.545,55 2.709,56 0.038,57 0.483,58 3.291,59 2.124,60 4.137,61 2.07,62 0.131,63 0.789,64 6.473,65 3.451,66 10.532,67 3.263,68 0.195,69 0.919,70 10.963,71 4.364,72 14.375,73 4.418,74 0.151,75 0.788,76 11.395,77 4.746,78 11.927,79 4.912,80 0.206,81 0.735,82 10.637,83 4.144,84 15.868,85 4.207,86 0.107,87 0.636,88 8.396,89 3.585,90 10.351,91 3.32,92 0.122,93 0.586,94 9.308,95 3.7,96 11.64,97 3.751,98 0.109,99 0.439,100 7.363,101 2.711,102 11.281,103 2.962,105 32,106 0.302,107 0.595,108 0.755,109 0.817,110 0.847,111 0.847,112 3.059,113 0.899,114 -2.85,115 -2.86,116 -2.76,119 48.3,133 5,135 1,136 2,137 2,138 1,139 1,143 1,150 1,159 4,161 1,162 1,164 1,166 2,168 4,171 2,172 3,176 3,178 2,181 1,182 2,185 1,187 1,193 2,194 2,197 2,202 2,206 3,213 2,217 6,224 1,229 5,242 2,255 444,256 14.137,257 14.137,258 14.137,259 14.137,260 14.137,261 11.704,262 9.487,263 8.546,264 14.605,265 11.42,266 11.42,267 11.42,268 11.42,269 11.42,270 7.859,271 17.5,272 4.099,273 12.231,274 3.222,275 1.642,276 0.771,277 0.44,278 0.276,279 0.276,280 3.767,284 1,285 355,286 2,288 25.997,289 126.434,291 106.717,295 1.18,296 12.289,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 42.5,307 157,308 4.744,309 3.281,310 6.86,311 4.186,312 3.259,313 4.842,314 0.4,315 11.466,316 3.014,317 4.05,318 2.785,319 6.012,320 3.608,321 2.663,322 3.681,324 8.559,325 2.52,326 3.818,327 2.398,328 5.377,329 3.318,330 2.361,331 3.402,333 6.921,334 2.246,335 3.385,336 1.933,337 5.1,338 2.821,339 1.909,340 2.803,342 5.823,343 1.736,344 3.073,345 1.618,346 4.452,347 2.488,348 1.595,349 2.345,351 4.179,352 1.426,353 2.89,354 1.468,355 3.812,356 2.403,357 1.435,358 2.06,360 3.088,361 1.368,362 2.82,363 1.322,364 3.613,365 2.234,366 1.321,367 1.979,369 3.019,370 1.198,371 2.64,372 1.184,373 3.582,374 2.091,375 1.163,376 1.706,378 2.803,379 1.073,380 2.5,381 1,382 3.247,383 2,384 1,385 1.5,386 2.136,387 1,388 1.977,389 0.574,390 3.154,391 1.387,392 0.525,393 0.749,394 1.316,395 0.446,396 1.314,397 0.07,398 2.765,399 0.883,400 -0.032,401 -0.042,402 -0.082,403 -0.029,404 0.854,405 -0.505,406 2.413,407 0.355,408 -0.578,409 -0.798,411 -1.356,412 -0.528,413 0.799,414 -0.701,415 2.214,416 0.206,417 -0.701,418 -1.051,420 -1.78,421 -0.627,422 0.577,423 -0.884,424 2,425 0.021,426 -0.903,427 -1.322,429 -2.235,430 -0.834,431 0.5,432 -1,433 1.943,435 -1,436 -1.5,438 -2.347,439 -1,440 9.833,441 0.492,442 0.342,443 0.017,444 32.5,445 1.625,446 18.5,447 0.925,448 14,449 0.7,450 11.181,451 0.559,452 18.967,453 0.654,454 18.713,455 0.936,456 6.248,457 0.312,458 3.667,459 0.183,462 0.305,466 0.936,467 1.165,468 0.643,469 0.789,470 0.812,471 0.718,472 0.952,473 1.058,474 0.82,475 0.889,476 0.993,477 0.834,478 0.922,479 1.197,480 0.834,481 1.051,482 0.952,483 0.897,484 0.879,485 1.061,486 1.102,487 1.093,488 0.707,489 0.982,490 0.915,491 0.744,492 1.13,493 0.951,494 0.861,495 0.918,496 1.237,497 1.104,498 1.294,499 1.165,500 1.164,501 1.104,502 1.208,503 1.008,504 1.324,505 1.191,506 1.176,507 1.247,508 1.264,509 0.9,510 1.002,511 0.898,512 1.235,513 1.028,514 2.5,515 0.005,516 1.778,517 1.389,518 0.862,519 0.274,520 0.292,521 0.155,522 0.028,523 0.021,524 3979,525 11385,526 2.259,527 31,529 5,531 3,532 1,536 1.62,537 2.222,538 3.002,539 -0.222,541 1,543 1,545 47.44,546 1.636,547 3.216,548 4.087,549 4.418,550 4.582,551 4.582,552 2.466,553 3.409,554 4.295,555 3.095,556 587.992,557 7.346,558 5817.94,559 1,560 1,561 1,562 1,563 140.881,564 0.881,565 4.295,566 0.109,567 0.002,568 0.056,569 0.045,570 0.033,571 0.012,572 0.014,573 0.01,574 0.003,575 0.003,576 0.287,577 0.67,578 1,580 87.064,581 -0.122,582 -0.176,583 0.048,584 0.007,585 -0.092,586 0.015,587 0.013,588 -0.025,589 0.025,590 -0.009,591 -0.121,592 -0.057,593 0.157,594 -0.176,595 0.188,596 -0.071,597 0.024,598 0.011,599 0.09,600 -0.082,601 -0.005,602 -0.041,603 0.182,604 0.001,605 0.159,606 0.272,607 -0.083,608 0.059,609 0.201,610 0.045,611 -0.302,612 -0.113,613 -0.275,614 -0.161,615 -0.227,616 -0.19,617 -0.279,618 -0.074,619 -0.294,620 -0.176,621 -0.191,622 -0.214,623 -0.241,624 0.018,625 -0.099,626 0.024,627 -0.072,628 0.047,629 0.883,630 1.347,631 0.95,632 13.22,633 1.012,634 1.112,635 1.617,636 2.616,637 0.765,638 3.178,639 3.497,640 3.829,641 4.159,642 4.419,643 4.477,644 4.644,645 4.804,646 4.754,647 4.779,648 4.758,649 0.736,650 279.35,651 3.178,652 4.71,653 5.58,654 6.469,655 7.361,656 8.262,657 9.163,658 10.07,659 10.976,660 11.886,661 17.2,669 1,671 4,674 4,675 8,676 4,679 1,680 2,682 21,692 1,699 29,700 21,701 1,702 23,704 32,705 14,706 14,707 1,708 5,710 4,711 7,721 14,733 1,736 9,737 5,738 1,739 6,740 1,743 5,747 0.5,751 1,755 1,759 1,760 3,762 2,777 2,779 1,785 20,790 1,797 1,808 9,809 5.383,810 4.361,811 1.647,812 4.258,813 1.591,814 1.082,815 2.696,816 11.46,817 3.541,818 4.23,819 4.94,820 5.651,821 6.284,822 6.667,823 7.19,824 7.709,825 7.945,826 8.31,827 1,828 31,829 7.315,831 3.138,832 7.617,833 13.985,835 11.541,837 2.117,838 42.333,839 0.001,842 94.169,843 115.808,844 85.153,848 31.278,849 84.53,850 94.169,851 85.153,854 47.381,855 102.772,856 51.769,857 3.074,858 90.133,860 94.169,861 169.683,863 31.278,865 94.169,869 49.329,870 53.212,871 67.142,872 31.278,873 94.169,874 85.153,875 115.808,878 94.169,879 41.713,880 74.095,881 18.011,882 67.142,883 94.169,884 85.153,885 115.808,887 0.573,888 0.342,889 0.202,890 0.114,891 18,892 6,893 0.063,894 2,895 2,896 1.211,897 3.352,898 160.363,899 0.211,900 19,901 82.439,902 1,904 11.533,905 4.675,906 1.992,907 3.509,908 85.153,909 14.859,910 17.333,913 1.546,914 1.775,916 18.011,917 295.13,918 33.5,926 29.353,927 32.242,928 0.337,929 0.662,930 0.841,931 0.909,932 0.943,933 0.943,934 4.738,935 1.163,936 5.541,937 3.019,938 4.174,939 4.916,940 0.278,941 6.368,942 4.036,943 5.963,944 1,945 7.094,946 2.803,947 3.611,948 4.691,950 7.286,951 3.403,952 7.28,953 0.525,954 8.756,955 2.136,956 5.759,957 7.265,958 0.05,959 10.458,960 5.484,961 8.642,962 -0.032,963 10.486,964 1.316,965 6.111,966 7.986,968 12.292,969 5.748,970 10.043,971 -0.578,972 12.262,973 -0.082,974 7.672,975 9.959,976 0.008,977 14.962,978 7.254,979 11.474,980 -0.701,981 14.07,982 -1.356,983 8.468,984 11.143,986 17.159,987 7.952,988 12.93,989 -0.903,990 15.901,991 -1.78,992 9.784,993 12.868,994 0.001,995 19.669,996 9.211,997 3.259,998 -1,999 17.75,1000 -2.235,1001 10.79,1002 14.272,1004 22.01,1005 10.118,1006 2.663,1007 11.466,1008 19.612,1009 -2.347,1010 12.01,1011 15.898,1013 24.469,1014 11.272,1015 2.361,1016 8.559,1017 21.486,1018 4.842,1019 13.109,1020 17.4,1022 26.867,1023 12.278,1024 1.909,1025 6.921,1026 23.367,1027 3.681,1028 14.296,1029 18.991,1031 29.311,1032 13.393,1033 1.595,1034 5.823,1035 25.256,1036 3.402,1037 15.438,1038 20.536,1040 31.732,1041 14.446,1042 1.435,1043 4.179,1044 27.15,1045 2.803,1046 16.614,1047 22.115,1049 34.171,1050 15.546,1051 1.321,1052 3.088,1053 29.049,1054 2.345,1055 17.776,1056 23.677,1058 36.602,1059 16.622,1060 3687,1061 6383,1062 16.296,1063 22.199,1064 34.666,1065 34.502,1066 34.767,1067 34.464,1068 34.463,1069 50.134,1070 0.8,1071 98.62,1072 32.057,1073 5.501,1074 5.281,1075 6.662,1076 5.315,1077 5.259,1078 7.842,1079 0.8,1080 18.835,1081 5.014,1083 1.507,1084 1.5,1085 1.512,1086 1.498,1087 1.498,1088 2.18,1089 0.035,1090 4.288,1091 1.394,1092 4.135,1093 4.157,1094 4.389,1095 4.102,1096 5.167,1097 4.064,1098 3.883,1099 3.918,1100 3.823,1101 3.815,1102 4.851,1103 3.808,1104 3.589,1105 3.651,1106 3.544,1107 3.401,1108 4.739,1109 3.429,1110 3.076,1111 3.144,1112 3.323,1113 2.985,1114 4.127,1115 2.945,1116 3.029,1117 3.077,1118 2.98,1119 2.855,1120 4.003,1121 2.858,1122 2.854,1123 2.925,1124 2.716,1125 2.735,1126 3.964,1127 2.715,1128 2.71,1129 2.77,1130 2.687,1131 2.585,1132 3.674,1133 2.572,1134 2.543,1135 2.623,1136 2.454,1137 2.343,1138 3.588,1139 2.355,1140 0.206,1141 0.143,1142 0.298,1143 0.182,1144 0.142,1145 4.744,1146 0.211,1147 3.281,1148 0.017,1149 6.86,1150 0.499,1151 4.186,1152 0.131,1153 3.259,1154 4.842,1155 0.4,1156 11.466,1157 3.014,1158 1.907,1159 1.875,1160 2.016,1161 2.036,1162 1.075,1163 2.024,1164 1.821,1165 1.785,1166 1.872,1167 1.956,1168 0.934,1169 1.945,1170 1.683,1171 1.664,1172 1.677,1173 1.809,1174 0.794,1175 1.808,1176 1.032,1177 0.991,1178 1.204,1179 1.249,1180 0.285,1181 1.242,1182 0.928,1183 0.891,1184 1.181,1185 1.062,1186 0.218,1187 1.107,1188 0.886,1189 0.821,1190 1.03,1191 1.011,1192 0.216,1193 1.057,1194 0.827,1195 0.769,1196 0.917,1197 0.98,1198 0.025,1199 1.012,1200 0.492,1201 0.417,1202 0.72,1203 0.75,1205 0.767,1206 3.85,1208 5.165,1209 2.398,1210 6.696,1211 4.844,1212 8.323,1213 7.066,1214 10,1223 3.312,1231 21.348,1232 47.44,1233 93.272,1234 118.517,1235 128.127,1236 132.881,1237 132.881,1238 18.512,1239 7.202,1240 63.59,1241 91.83,1242 23,1243 12.402,1244 4.459,1245 3.524,1246 26.111,1247 57,1248 56,1249 0.231,1250 134.245,1251 207.47,1252 319.319,1253 12411,1255 13.364,1256 0.668,1257 0.557,1258 13.717,1259 11.132,1260 9.916,1261 0.431,1262 0.3,1263 6.07,1264 9.165,1265 5.897,1266 4.883,1267 10.324,1268 6.896,1269 8.703,1270 0.272,1271 0.163,1272 9.318,1273 5.202,1274 7.721,1275 0.172,1276 0.089,1277 8.58,1278 4.011,1279 6.878,1280 0.109,1281 0.048,1282 7.855,1283 3.045,1284 5.861,1285 0.071,1286 0.025,1287 6.81,1288 2.076,1289 0.35,1290 65.802,1291 0.248,1292 19.617,1293 0.673,1294 110,1295 319.774,1296 145.227,1297 338.61,1298 479.06,1299 320,1300 132,1301 351.856,1302 168.075,1303 374.037,1304 552.94,1305 353,1306 5} {0 CHEMBL2153543,1 1.764,2 9.364,3 2.801,4 7.845,5 84.524,6 9.375,7 0.84,8 3.661,9 3.757,10 3.485,11 3.277,12 4.877,13 3.266,14 4.122,15 4.254,16 3.873,17 3.638,18 5.307,19 3.614,20 4.216,21 4.362,22 3.943,23 3.668,24 5.386,25 3.638,26 4.19,27 4.356,28 3.709,29 3.63,30 5.281,31 3.547,32 4.174,33 4.391,34 3.552,35 3.524,36 5.239,37 3.423,38 4.014,39 4.203,40 3.459,41 3.416,42 5.082,43 3.334,44 3.903,45 4.097,46 3.226,47 3.246,48 4.977,49 3.16,50 3.74,51 3.958,52 3.123,53 2.986,54 4.811,55 2.956,56 0.064,57 0.544,58 4.244,59 2.64,60 4.993,61 2.594,62 0.24,63 0.868,64 9.731,65 4.38,66 16.534,67 4.099,68 0.258,69 0.982,70 11.843,71 4.652,72 16.449,73 4.601,74 0.22,75 0.905,76 12.834,77 5.596,78 14.942,79 5.78,80 0.295,81 0.879,82 15.055,83 5.733,84 21.476,85 6.736,86 0.185,87 0.744,88 12.11,89 4.7,90 15.016,91 4.903,92 0.21,93 0.656,94 10.488,95 3.943,96 14.747,97 4.085,98 0.168,99 0.523,100 9.151,101 3.274,102 13.745,103 3.678,104 3,105 35,106 0.318,107 0.668,108 0.797,109 0.83,110 0.841,111 0.841,112 3.147,113 0.89,114 -2.6,115 -2.62,116 -2.55,119 45.5,123 1,133 4,135 2,136 2,137 2,138 1,139 1,143 1,150 1,159 2,161 1,162 3,164 1,166 2,168 2,171 2,172 5,176 3,178 2,181 1,182 2,185 1,193 2,194 2,197 3,202 2,206 2,213 2,216 1,217 6,229 5,241 1,255 618,256 15.455,257 15.455,258 15.455,259 15.455,260 15.455,261 13.05,262 13.8,263 9.131,264 16.101,265 12.313,266 12.313,267 12.313,268 12.313,269 12.313,270 8.686,271 22.151,272 4.274,273 13.316,274 3.281,275 1.346,276 0.629,277 0.447,278 0.387,279 0.387,280 3.853,283 1,284 1,285 461,286 2.345,288 31.051,289 148.546,291 126.796,295 1.397,296 15.666,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47.5,307 206,308 4.744,309 3.282,310 6.86,311 4.186,312 3.26,313 4.842,314 0.86,315 11.466,316 3.014,317 4.091,318 2.896,319 6.013,320 3.66,321 2.708,322 3.714,323 0.4,324 8.565,325 2.581,326 3.933,327 2.697,328 5.482,329 3.436,330 2.5,331 3.566,333 7.271,334 2.33,335 3.494,336 2.314,337 5.213,338 3.073,339 2.139,340 2.861,342 6.362,343 1.988,344 3.335,345 1.909,346 5.032,347 2.78,348 1.873,349 2.683,351 5.744,352 1.693,353 3.054,354 1.587,355 4.438,356 2.458,357 1.569,358 2.321,360 4.122,361 1.378,362 2.822,363 1.327,364 3.812,365 2.234,366 1.324,367 1.983,369 3.059,370 1.198,371 2.657,372 1.242,373 3.601,374 2.112,375 1.188,376 1.73,378 2.84,379 1.091,380 2.5,381 1.096,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 1.997,389 1,390 3.208,391 1.511,392 0.639,393 0.809,394 1.428,395 0.551,396 1.725,397 0.588,398 2.925,399 1.324,400 0.471,401 0.592,402 0.868,403 0.396,404 1.271,405 0.168,406 2.594,407 0.871,408 -0.028,409 -0.036,411 -0.062,412 -0.025,413 0.876,414 -0.288,415 2.412,416 0.414,417 -0.502,418 -0.66,420 -1.078,421 -0.452,422 0.799,423 -0.701,424 2.211,425 0.208,426 -0.701,427 -1.051,429 -1.78,430 -0.625,431 0.59,432 -0.743,433 2,434 0.039,435 -0.869,436 -1.221,438 -2.177,439 -0.786,440 10.667,441 0.485,442 0.41,443 0.019,444 34.5,445 1.568,446 19,447 0.864,448 15.5,449 0.705,450 13.291,451 0.604,452 21.733,453 0.659,454 21.237,455 0.965,456 6.733,457 0.306,458 4.115,459 0.187,460 0.047,462 0.328,466 0.932,467 1.245,468 0.651,469 0.879,470 0.826,471 0.781,472 1.251,473 0.977,474 0.804,475 0.767,476 1.09,477 0.699,478 1.065,479 1.226,480 0.867,481 1.041,482 0.98,483 0.892,484 0.908,485 1.116,486 1.144,487 1.143,488 0.873,489 1.111,490 0.482,491 0.773,492 0.993,493 0.951,494 0.655,495 0.973,496 1.007,497 1.073,498 1.145,499 1.052,500 1.015,501 1.001,502 1.027,503 0.991,504 1.262,505 1.109,506 1.042,507 1.154,508 1.117,509 0.932,510 0.659,511 0.829,512 1.053,513 0.826,514 3.5,515 0.07,516 2.222,517 1.451,518 1.093,519 0.393,520 0.372,521 0.242,522 0.084,523 0.111,524 5221,525 15743,526 2.205,527 33.3,529 7,531 3,532 1,536 1.644,537 2.129,538 3.202,539 -0.22,541 1,543 1,545 58.198,546 1.764,547 3.699,548 4.415,549 4.597,550 4.658,551 4.658,552 2.681,553 4.152,554 4.429,555 3.315,556 765.858,557 7.604,558 8205.19,559 1,560 1,561 1,562 1,563 166.465,564 1.143,565 4.418,566 0.14,567 0.01,568 0.063,569 0.041,570 0.038,571 0.016,572 0.016,573 0.013,574 0.005,575 0.009,576 0.352,577 0.5,578 1,579 0.608,580 100.438,581 -0.108,582 -0.219,583 0.056,584 -0.033,585 -0.087,586 -0.005,587 -0.145,588 0.064,589 0.087,590 0.166,591 -0.117,592 0.134,593 -0.038,594 -0.174,595 0.104,596 -0.077,597 -0.039,598 -0.032,599 -0.052,600 -0.131,601 -0.128,602 -0.125,603 -0.049,604 -0.158,605 0.275,606 0.191,607 0.049,608 0.06,609 0.265,610 0.076,611 -0.168,612 -0.093,613 -0.101,614 -0.028,615 -0.104,616 -0.008,617 -0.114,618 0.001,619 -0.276,620 -0.138,621 -0.109,622 -0.186,623 -0.034,624 -0.02,625 0.222,626 0.056,627 0.084,628 0.194,629 0.917,630 1.662,631 0.864,632 16.471,633 1.017,634 1.117,635 1.37,636 1.876,637 0.74,638 3.258,639 3.584,640 3.912,641 4.22,642 4.489,643 4.564,644 4.718,645 4.883,646 4.868,647 4.934,648 5.404,649 0.715,650 309.38,651 3.258,652 4.796,653 5.666,654 6.555,655 7.446,656 8.345,657 9.244,658 10.147,659 11.051,660 11.958,661 15.2,669 1,671 4,674 4,675 7,676 4,679 1,680 3,682 21,692 1,697 1,699 33,700 21,701 1,702 25,704 36,705 15,706 14,707 2,708 4,710 4,711 7,721 14,722 1,732 1,733 1,736 11,737 6,738 1,739 7,740 1,743 5,747 0.5,748 1,751 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,785 22,790 1,791 1,797 1,801 3,806 1,808 10.333,809 6.467,810 4.861,811 1.8,812 4.301,813 1.58,814 1.048,815 3.315,816 11.712,817 3.597,818 4.287,819 4.992,820 5.69,821 6.327,822 6.715,823 7.221,824 7.738,825 7.992,826 8.38,827 1,828 35,829 8.04,831 3.41,832 7.659,833 15.294,835 12.429,837 2.159,838 47.5,842 117.711,843 122.458,844 85.153,846 11,848 31.278,849 91.181,850 128.711,851 85.153,852 10.883,854 37.905,855 102.772,856 68.013,857 3.074,858 113.675,860 117.711,861 176.333,862 11,863 31.278,865 117.711,866 11,869 49.329,870 59.862,871 67.142,872 31.278,873 117.711,874 96.153,875 122.458,878 117.711,879 46.957,880 75.501,881 18.011,882 78.142,883 117.711,884 96.153,885 122.458,887 0.575,888 0.349,889 0.196,890 0.111,891 19,892 7,893 0.083,894 3,895 2,896 1.211,897 3.517,898 180.517,899 0.211,900 19,901 94.107,902 1,904 13.346,905 5.465,906 2.391,907 3.428,908 96.153,909 12.57,910 17.364,913 1.529,914 2.493,916 18.011,917 336.322,918 35.5,926 33.564,927 36.867,928 0.35,929 0.733,930 0.875,931 0.911,932 0.923,933 0.923,934 4.806,935 1.188,936 5.638,937 3.059,938 4.263,939 4.973,940 1.029,941 6.466,942 4.112,943 6.035,944 1,945 7.198,946 2.84,947 3.761,948 4.808,950 7.391,951 3.551,952 7.358,953 0.639,954 8.861,955 2.275,956 5.861,957 7.324,958 0.763,959 10.529,960 5.575,961 8.724,962 0.471,963 10.586,964 1.428,965 6.236,966 8.065,968 12.343,969 5.874,970 10.127,971 -0.028,972 12.354,973 0.868,974 7.765,975 10.008,976 0.597,977 14.998,978 7.343,979 11.556,980 -0.502,981 14.152,982 -0.062,983 8.561,984 11.193,986 17.181,987 8.05,988 13.008,989 -0.701,990 15.973,991 -1.078,992 9.859,993 12.903,994 0.47,995 19.685,996 9.288,997 3.26,998 -0.869,999 17.811,1000 -1.78,1001 10.857,1002 14.303,1004 22.019,1005 10.193,1006 2.708,1007 11.466,1008 19.664,1009 -2.177,1010 12.066,1011 15.922,1012 0.367,1013 24.476,1014 11.337,1015 2.5,1016 8.565,1017 21.528,1018 4.842,1019 13.158,1020 17.42,1022 26.871,1023 12.338,1024 2.139,1025 7.271,1026 23.403,1027 3.714,1028 14.337,1029 19.007,1030 0.283,1031 29.314,1032 13.445,1033 1.873,1034 6.362,1035 25.285,1036 3.566,1037 15.473,1038 20.548,1040 31.734,1041 14.493,1042 1.569,1043 5.744,1044 27.174,1045 2.861,1046 16.644,1047 22.125,1048 0.217,1049 34.172,1050 15.588,1051 1.324,1052 4.122,1053 29.069,1054 2.683,1055 17.801,1056 23.685,1058 36.603,1059 16.66,1060 4901,1061 8657,1062 17.394,1063 24.415,1064 37.465,1065 37.794,1066 38.397,1067 37.306,1068 37.339,1069 53.201,1070 2.52,1071 107.998,1072 34.441,1073 5.51,1074 5.282,1075 6.541,1076 5.317,1077 5.26,1078 7.842,1079 1.72,1080 18.835,1081 5.014,1082 6.2,1083 1.499,1084 1.512,1085 1.536,1086 1.492,1087 1.494,1088 2.128,1089 0.101,1090 4.32,1091 1.378,1092 4.136,1093 4.158,1094 4.389,1095 4.102,1096 5.168,1097 4.065,1098 3.897,1099 3.924,1100 3.849,1101 3.816,1102 4.887,1103 3.817,1104 3.594,1105 3.654,1106 3.55,1107 3.402,1108 4.81,1109 3.431,1110 3.268,1111 3.33,1112 3.324,1113 3.009,1114 4.411,1115 3.018,1116 3.052,1117 3.096,1118 3.127,1119 2.962,1120 4.088,1121 2.925,1122 2.973,1123 3.055,1124 2.867,1125 2.76,1126 3.992,1127 2.76,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.915,1133 2.715,1134 2.682,1135 2.747,1136 2.658,1137 2.54,1138 3.674,1139 2.524,1140 0.19,1141 0.131,1142 0.274,1143 0.167,1144 0.13,1145 4.744,1146 0.194,1147 3.282,1148 0.034,1149 6.86,1150 0.459,1151 4.186,1152 0.121,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.014,1158 1.903,1159 1.876,1160 1.995,1161 2.038,1162 1.076,1163 2.021,1164 1.819,1165 1.785,1166 1.87,1167 1.961,1168 0.933,1169 1.945,1170 1.683,1171 1.665,1172 1.677,1173 1.814,1174 0.794,1175 1.809,1176 1.202,1177 1.133,1178 1.566,1179 1.517,1180 0.574,1181 1.532,1182 1.01,1183 0.981,1184 1.181,1185 1.196,1186 0.28,1187 1.196,1188 0.886,1189 0.821,1190 1.139,1191 1.062,1192 0.218,1193 1.107,1194 0.866,1195 0.814,1196 1.019,1197 1.006,1198 0.142,1199 1.031,1200 0.817,1201 0.751,1202 0.875,1203 0.964,1204 0.025,1205 1.011,1206 3.932,1208 5.252,1209 2.398,1210 6.786,1211 4.844,1212 8.412,1213 7.066,1214 10.087,1216 1.646,1223 3.307,1224 5.162,1231 23.589,1232 58.198,1233 122.059,1234 145.71,1235 151.71,1236 153.71,1237 153.71,1238 22.136,1239 7.412,1240 72.82,1241 101.06,1242 23,1243 12.476,1244 4.459,1245 3.524,1246 29.957,1247 70,1248 84,1249 0.211,1250 147.834,1251 233.56,1252 352.475,1253 16277,1255 14.941,1256 0.679,1257 0.567,1258 15.295,1259 12.463,1260 10.848,1261 0.434,1262 0.297,1263 6.551,1264 9.939,1265 6.333,1266 5.258,1267 11.256,1268 7.419,1269 9.493,1270 0.271,1271 0.159,1272 10.109,1273 5.565,1274 8.54,1275 0.174,1276 0.088,1277 9.399,1278 4.327,1279 7.331,1280 0.109,1281 0.048,1282 8.307,1283 3.198,1284 6.25,1285 0.071,1286 0.025,1287 7.199,1288 2.178,1289 0.326,1290 72.509,1291 0.24,1292 21.547,1293 0.592,1294 120,1295 375.509,1296 158.105,1297 384.911,1298 539.41,1299 364,1300 144,1301 392.401,1302 182.733,1303 414.575,1304 610.44,1305 389,1306 5} {0 CHEMBL2153544,1 1.812,2 9.458,3 2.785,4 7.753,5 90.987,6 9.173,7 0.778,8 3.772,9 3.864,10 3.568,11 3.338,12 4.989,13 3.338,14 4.246,15 4.384,16 3.95,17 3.692,18 5.416,19 3.684,20 4.307,21 4.432,22 4.062,23 3.75,24 5.516,25 3.742,26 4.351,27 4.495,28 3.888,29 3.762,30 5.482,31 3.704,32 4.423,33 4.617,34 3.708,35 3.698,36 5.493,37 3.613,38 4.297,39 4.502,40 3.604,41 3.608,42 5.332,43 3.513,44 4.235,45 4.477,46 3.512,47 3.43,48 5.224,49 3.353,50 3.968,51 4.153,52 3.465,53 3.24,54 5.101,55 3.225,56 0.093,57 0.599,58 5.203,59 3.119,60 5.866,61 3.099,62 0.359,63 0.937,64 12.765,65 5.119,66 22.365,67 4.841,68 0.377,69 1.047,70 12.816,71 5,72 19.254,73 5.056,74 0.317,75 1.023,76 14.448,77 6.481,78 17.748,79 6.686,80 0.51,81 1.041,82 18.703,83 7.007,84 32.145,85 7.517,86 0.31,87 0.94,88 16.302,89 6.21,90 21.691,91 7.112,92 0.347,93 0.83,94 18.033,95 5.919,96 24.408,97 7.158,98 0.282,99 0.647,100 10.949,101 3.892,102 18.781,103 4.087,104 9,105 38,106 0.32,107 0.664,108 0.776,109 0.818,110 0.837,111 0.847,112 3.229,113 0.883,114 -2.36,115 -2.39,116 -2.35,119 43.2,123 2,133 3,135 3,136 2,137 2,138 1,139 1,143 1,150 1,159 1,161 1,162 3,164 1,166 2,168 1,171 3,172 6,176 2,178 1,181 1,182 3,185 2,193 2,194 1,197 3,202 2,205 1,206 2,213 1,216 1,217 6,228 1,229 3,241 3,255 764,256 16.826,257 16.826,258 16.826,259 16.826,260 16.826,261 14.419,262 16.719,263 9.84,264 17.637,265 13.229,266 13.229,267 13.229,268 13.229,269 13.229,270 9.503,271 27.145,272 4.487,273 14.4,274 3.398,275 1.453,276 0.818,277 0.581,278 0.473,279 0.419,280 3.932,283 1,284 1,285 501,286 2.646,288 35.276,289 168.263,291 143.492,295 1.375,296 19.596,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.5,307 227,308 4.744,309 3.288,310 6.86,311 4.186,312 3.26,313 4.842,314 0.86,315 11.466,316 3.015,317 4.271,318 3.194,319 6.171,320 3.851,321 2.904,322 3.919,323 0.86,324 9.156,325 2.746,326 3.994,327 2.729,328 6.002,329 3.511,330 2.584,331 3.641,332 0.4,333 8.497,334 2.389,335 3.548,336 2.316,337 5.319,338 3.121,339 2.179,340 2.914,342 6.669,343 2.043,344 3.345,345 2.168,346 5.076,347 2.781,348 1.874,349 2.724,351 5.777,352 1.694,353 3.054,354 1.902,355 4.453,356 2.521,357 1.61,358 2.321,360 4.192,361 1.461,362 2.919,363 1.584,364 4.352,365 2.458,366 1.568,367 2.057,369 4.054,370 1.378,371 2.822,372 1.326,373 3.812,374 2.234,375 1.324,376 1.983,378 3.059,379 1.198,380 2.657,381 1.231,382 3.601,383 2.112,384 1.187,385 1.729,386 2.84,387 1.091,388 2.014,389 1.079,390 3.225,391 1.626,392 0.732,393 0.883,394 1.5,395 0.648,396 1.895,397 0.935,398 3.045,399 1.382,400 0.522,401 0.716,402 1.164,403 0.443,404 1.487,405 0.588,406 2.846,407 1.2,408 0.353,409 0.389,411 0.495,412 0.296,413 1.269,414 0.192,415 2.505,416 0.871,417 -0.028,418 -0.036,420 -0.063,421 -0.025,422 0.879,423 -0.135,424 2.413,425 0.431,426 -0.476,427 -0.602,429 -0.955,430 -0.424,431 0.799,432 -0.516,433 2.295,434 0.21,435 -0.701,436 -0.986,438 -1.779,439 -0.623,440 11.5,441 0.479,442 0.462,443 0.019,444 36.5,445 1.521,446 19.5,447 0.813,448 17,449 0.708,450 15.82,451 0.659,452 24.5,453 0.662,454 24.113,455 1.005,456 7.233,457 0.301,458 4.564,459 0.19,460 0.087,462 0.348,466 0.939,467 1.318,468 0.658,469 0.959,470 0.833,471 0.834,472 1.385,473 0.91,474 0.793,475 0.677,476 1.191,477 0.599,478 0.946,479 1.252,480 0.828,481 1.041,482 0.888,483 0.868,484 0.937,485 1.167,486 1.09,487 1.176,488 0.823,489 1.127,490 1.122,491 0.81,492 1.129,493 0.932,494 1.118,495 1.047,496 0.783,497 1.073,498 1.086,499 1.078,500 0.888,501 1.109,502 0.785,503 0.836,504 0.802,505 0.851,506 0.769,507 0.815,508 1.217,509 0.904,510 0.777,511 0.833,512 1.185,513 0.798,514 4,515 0.09,516 2.667,517 1.889,518 1.324,519 0.511,520 0.453,521 0.265,522 0.198,523 0.182,524 6375,525 19813,526 2.161,527 35.1,529 9,531 3,532 1,536 1.67,537 2.057,538 3.245,539 -0.219,540 1,541 1,543 1,545 67.034,546 1.812,547 3.756,548 4.391,549 4.628,550 4.736,551 4.79,552 2.669,553 4.418,554 4.558,555 3.36,556 927.455,557 7.869,558 10654.8,559 1,560 1,561 1,562 1,563 192.75,564 1.281,565 4.532,566 0.148,567 0.008,568 0.07,569 0.047,570 0.038,571 0.018,572 0.017,573 0.012,574 0.009,575 0.011,576 0.378,577 0.33,578 1,579 0.789,580 112.983,581 -0.107,582 -0.258,583 0.062,584 -0.07,585 -0.079,586 -0.023,587 -0.219,588 0.133,589 0.132,590 0.284,591 -0.158,592 0.266,593 0.076,594 -0.165,595 0.11,596 -0.071,597 0.04,598 -0.029,599 -0.016,600 -0.162,601 -0.133,602 -0.17,603 0.018,604 -0.202,605 -0.072,606 0.14,607 -0.146,608 0.042,609 -0.097,610 -0.06,611 -0.028,612 -0.104,613 -0.09,614 -0.086,615 -0.046,616 -0.091,617 0.087,618 0.076,619 0.248,620 0.137,621 0.194,622 0.273,623 -0.062,624 0.07,625 0.143,626 0.079,627 -0.04,628 0.139,629 1.021,630 1.835,631 0.792,632 18.125,633 1.021,634 1.121,635 1.128,636 1.272,637 0.72,638 3.332,639 3.664,640 4.007,641 4.317,642 4.564,643 4.644,644 4.804,645 4.97,646 4.984,647 5.081,648 5.642,649 0.698,650 339.41,651 3.332,652 4.875,653 5.753,654 6.648,655 7.543,656 8.445,657 9.347,658 10.253,659 11.158,660 12.066,661 13.5,669 1,671 4,674 4,675 6,676 4,679 1,680 4,682 21,692 1,697 2,699 37,700 21,701 1,702 27,704 40,705 16,706 14,707 3,708 3,710 4,711 7,721 14,722 2,732 1,733 1,736 13,737 7,738 1,739 8,740 1,743 5,747 0.5,748 2,751 1,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 24,790 1,791 2,797 1,801 5.4,806 2,808 11.667,809 7.55,810 5.389,811 1.96,812 4.34,813 1.572,814 1.022,815 3.963,816 11.929,817 3.651,818 4.341,819 5.051,820 5.744,821 6.367,822 6.761,823 7.261,824 7.773,825 8.043,826 8.452,827 1,828 40,829 8.772,831 3.69,832 7.694,833 16.603,835 13.321,837 2.194,838 52.667,842 141.253,843 129.109,844 85.153,846 22,848 31.278,849 97.831,850 163.253,851 85.153,852 21.766,854 28.429,855 102.772,856 84.256,857 3.074,858 137.218,860 141.253,861 182.984,862 22,863 31.278,865 141.253,866 22,869 49.329,870 66.512,871 67.142,872 31.278,873 141.253,874 107.153,875 129.109,878 141.253,879 52.2,880 76.908,881 18.011,882 89.142,883 141.253,884 107.153,885 129.109,887 0.573,888 0.359,889 0.208,890 0.112,891 20,892 8,893 0.1,894 4,895 2,896 1.211,897 3.624,898 204.242,899 0.211,900 19,901 110.039,902 1,904 15.181,905 6.266,906 2.695,907 3.327,908 107.153,909 10.459,910 17.402,913 1.508,914 2.863,916 18.011,917 377.514,918 37.5,926 37.774,927 41.491,928 0.348,929 0.721,930 0.843,931 0.888,932 0.909,933 0.92,934 4.869,935 1.324,936 5.733,937 4.054,938 4.344,939 5.027,940 1.454,941 6.581,942 4.183,943 6.102,944 1.187,945 7.309,946 3.059,947 3.892,948 4.913,950 7.545,951 3.68,952 7.433,953 0.732,954 8.986,955 2.84,956 5.964,957 7.385,958 1.175,959 10.678,960 5.667,961 8.807,962 0.522,963 10.725,964 1.5,965 6.382,966 8.158,968 12.496,969 6.017,970 10.216,971 0.353,972 12.503,973 1.164,974 7.889,975 10.073,976 0.966,977 15.142,978 7.459,979 11.652,980 -0.028,981 14.308,982 0.495,983 8.712,984 11.271,986 17.31,987 8.201,988 13.108,989 -0.476,990 16.134,991 -0.063,992 9.997,993 12.965,994 0.788,995 19.801,996 9.424,997 3.26,998 -0.701,999 17.974,1000 -0.955,1001 11.006,1002 14.366,1004 22.117,1005 10.348,1006 2.904,1007 11.466,1008 19.826,1009 -1.779,1010 12.206,1011 15.975,1012 0.634,1013 24.56,1014 11.483,1015 2.584,1016 9.156,1017 21.688,1018 4.842,1019 13.299,1020 17.469,1022 26.94,1023 12.491,1024 2.179,1025 8.497,1026 23.558,1027 3.919,1028 14.47,1029 19.048,1030 0.504,1031 29.371,1032 13.591,1033 1.874,1034 6.669,1035 25.435,1036 3.641,1037 15.601,1038 20.584,1040 31.781,1041 14.64,1042 1.61,1043 5.777,1044 27.317,1045 2.914,1046 16.764,1047 22.155,1048 0.395,1049 34.211,1050 15.729,1051 1.568,1052 4.192,1053 29.204,1054 2.724,1055 17.914,1056 23.711,1058 36.634,1059 16.797,1060 6048,1061 10812,1062 18.493,1063 26.631,1064 40.168,1065 40.981,1066 41.97,1067 40.101,1068 40.191,1069 56.238,1070 4.24,1071 117.741,1072 36.803,1073 5.516,1074 5.288,1075 6.541,1076 5.318,1077 5.26,1078 7.842,1079 1.72,1080 18.836,1081 5.015,1082 9.012,1083 1.488,1084 1.518,1085 1.554,1086 1.485,1087 1.489,1088 2.083,1089 0.157,1090 4.361,1091 1.363,1092 4.136,1093 4.158,1094 4.389,1095 4.102,1096 5.169,1097 4.065,1098 3.911,1099 3.929,1100 3.875,1101 3.818,1102 4.937,1103 3.825,1104 3.596,1105 3.656,1106 3.554,1107 3.402,1108 4.822,1109 3.432,1110 3.275,1111 3.336,1112 3.324,1113 3.02,1114 4.496,1115 3.034,1116 3.247,1117 3.314,1118 3.144,1119 2.968,1120 4.37,1121 2.959,1122 3.051,1123 3.092,1124 3.051,1125 2.949,1126 4.078,1127 2.925,1128 2.961,1129 3.044,1130 2.858,1131 2.758,1132 3.99,1133 2.756,1134 2.769,1135 2.841,1136 2.662,1137 2.633,1138 3.897,1139 2.611,1140 0.176,1141 0.122,1142 0.254,1143 0.155,1144 0.121,1145 4.744,1146 0.179,1147 3.288,1148 0.032,1149 6.86,1150 0.425,1151 4.186,1152 0.112,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.015,1158 1.9,1159 1.877,1160 1.975,1161 2.04,1162 1.078,1163 2.018,1164 1.818,1165 1.786,1166 1.869,1167 1.965,1168 0.933,1169 1.944,1170 1.682,1171 1.665,1172 1.677,1173 1.817,1174 0.794,1175 1.81,1176 1.208,1177 1.142,1178 1.576,1179 1.524,1180 0.575,1181 1.54,1182 1.191,1183 1.115,1184 1.56,1185 1.51,1186 0.573,1187 1.525,1188 1.008,1189 0.98,1190 1.151,1191 1.183,1192 0.28,1193 1.187,1194 0.87,1195 0.815,1196 1.062,1197 1.009,1198 0.181,1199 1.05,1200 0.825,1201 0.763,1202 1.005,1203 0.99,1204 0.076,1205 1.012,1206 4.007,1208 5.333,1209 2.398,1210 6.874,1211 4.844,1212 8.512,1213 7.066,1214 10.198,1216 3.212,1223 3.302,1224 10.594,1231 25.831,1232 67.034,1233 138.975,1234 162.485,1235 171.24,1236 175.24,1237 177.24,1238 26.882,1239 7.589,1240 82.05,1241 110.29,1242 23,1243 12.583,1244 4.459,1245 3.524,1246 33.858,1247 81,1248 82,1249 0.207,1250 161.423,1251 259.65,1252 385.631,1253 20191,1255 16.518,1256 0.688,1257 0.575,1258 16.872,1259 13.794,1260 11.796,1261 0.437,1262 0.294,1263 7.039,1264 10.74,1265 6.776,1266 5.645,1267 12.205,1268 7.948,1269 10.214,1270 0.269,1271 0.155,1272 10.83,1273 5.906,1274 9.294,1275 0.172,1276 0.086,1277 10.153,1278 4.621,1279 8.131,1280 0.11,1281 0.046,1282 9.107,1283 3.437,1284 6.775,1285 0.071,1286 0.024,1287 7.724,1288 2.322,1289 0.32,1290 79.316,1291 0.233,1292 23.148,1293 0.581,1294 130,1295 431.245,1296 170.984,1297 431.196,1298 600.42,1299 408,1300 157,1301 433.946,1302 199.165,1303 456.226,1304 672.11,1305 426,1306 5} {0 CHEMBL2153545,1 1.812,2 8.833,3 2.785,4 7.753,5 90.987,6 9.173,7 0.778,8 3.772,9 3.864,10 3.568,11 3.338,12 4.989,13 3.338,14 4.246,15 4.384,16 3.95,17 3.692,18 5.424,19 3.684,20 4.305,21 4.432,22 4.035,23 3.75,24 5.483,25 3.737,26 4.344,27 4.495,28 3.896,29 3.759,30 5.484,31 3.693,32 4.404,33 4.608,34 3.754,35 3.681,36 5.468,37 3.614,38 4.297,39 4.459,40 3.676,41 3.617,42 5.422,43 3.557,44 4.279,45 4.498,46 3.642,47 3.513,48 5.286,49 3.444,50 4.14,51 4.352,52 3.498,53 3.37,54 5.225,55 3.315,56 0.093,57 0.599,58 5.203,59 3.119,60 5.852,61 3.099,62 0.359,63 0.937,64 12.765,65 5.119,66 22.615,67 4.841,68 0.326,69 1.047,70 12.804,71 4.995,72 18.061,73 4.881,74 0.373,75 1.022,76 14.544,77 6.546,78 18.644,79 7.27,80 0.421,81 1.036,82 18.85,83 6.905,84 28.136,85 7.686,86 0.438,87 0.93,88 14.689,89 5.579,90 26.018,91 5.328,92 0.298,93 0.869,94 17.012,95 6.182,96 21.213,97 7.275,98 0.388,99 0.754,100 15.045,101 5.026,102 26.725,103 5.518,104 9,105 38,106 0.32,107 0.664,108 0.767,109 0.789,110 0.799,111 0.799,112 3.229,113 0.882,114 -2.36,115 -2.39,116 -2.35,119 43.2,123 2,133 3,135 3,136 2,137 2,138 1,139 1,143 1,150 1,161 1,162 5,164 1,166 2,168 3,171 2,172 3,176 1,181 2,182 4,185 3,187 1,193 2,197 2,202 2,205 2,206 3,217 6,224 1,228 2,229 1,241 4,242 2,255 764,256 16.773,257 16.773,258 16.773,259 16.773,260 16.773,261 14.395,262 18.113,263 9.855,264 17.598,265 13.258,266 13.258,267 13.258,268 13.258,269 13.258,270 9.532,271 31.375,272 4.554,273 14.439,274 3.398,275 1.453,276 0.872,277 0.744,278 0.689,279 0.689,280 3.932,283 1,284 1,285 466,286 2.646,288 34.448,289 165.868,291 140.108,295 1.278,296 19.623,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.5,307 212,308 4.745,309 3.285,310 6.86,311 4.186,312 3.26,313 4.842,314 0.86,315 11.466,316 3.015,317 4.213,318 3.067,319 6.023,320 3.789,321 2.835,322 3.858,323 0.86,324 8.686,325 2.702,326 3.974,327 2.68,328 5.763,329 3.473,330 2.544,331 3.628,332 0.4,333 8.106,334 2.355,335 3.447,336 2.555,337 5.21,338 2.993,339 2.062,340 2.84,342 6.226,343 1.915,344 3.355,345 2.228,346 4.969,347 2.972,348 2.061,349 2.604,351 5.818,352 1.867,353 3.272,354 1.887,355 4.951,356 2.746,357 1.838,358 2.563,360 5.604,361 1.665,362 3.046,363 1.579,364 4.423,365 2.454,366 1.561,367 2.307,369 4.086,370 1.377,371 2.822,372 1.325,373 3.812,374 2.234,375 1.323,376 1.982,378 3.058,379 1.198,380 2.651,381 1.219,382 3.601,383 2.102,384 1.178,385 1.721,386 2.836,387 1.082,388 1.979,389 1.083,390 3.197,391 1.397,392 0.541,393 0.755,394 1.341,395 0.457,396 1.593,397 0.916,398 2.886,399 1.322,400 0.471,401 0.521,402 0.682,403 0.397,404 1.576,405 0.576,406 2.842,407 1.27,408 0.396,409 0.452,411 0.602,412 0.342,413 1.313,414 0.07,415 2.758,416 0.882,417 -0.032,418 -0.042,420 -0.088,421 -0.029,422 0.86,423 -0.339,424 2.414,425 0.369,426 -0.562,427 -0.77,429 -1.485,430 -0.515,431 0.799,432 -0.416,433 2.26,434 0.24,435 -0.694,436 -0.878,438 -1.599,439 -0.626,440 11.5,441 0.479,442 0.478,443 0.02,444 36.5,445 1.521,446 19.5,447 0.813,448 17,449 0.708,450 15.864,451 0.661,452 24.5,453 0.662,454 24.179,455 1.007,456 7.218,457 0.301,458 4.562,459 0.19,460 0.087,462 0.348,466 0.939,467 1.318,468 0.658,469 0.959,470 0.838,471 0.834,472 1.385,473 0.91,474 0.793,475 0.677,476 1.14,477 0.599,478 1.155,479 1.252,480 0.897,481 1.042,482 1.124,483 0.894,484 0.495,485 1.166,486 1.001,487 1.184,488 0.56,489 1.131,490 0.989,491 0.84,492 0.987,493 0.914,494 0.878,495 0.925,496 1.399,497 1.002,498 1.284,499 1.021,500 1.323,501 1.112,502 0.805,503 0.999,504 0.741,505 1.004,506 0.831,507 0.953,508 1.179,509 0.717,510 0.94,511 0.741,512 1.2,513 0.758,514 4.5,515 0.045,516 2,517 2.139,518 1.244,519 0.566,520 0.455,521 0.201,522 0.255,523 0.162,524 6255,525 19397,526 2.161,527 35.1,529 9,531 3,532 1,536 1.672,537 2.057,538 3.176,539 -0.219,540 1,541 1,543 1,545 67.034,546 1.812,547 3.756,548 4.337,549 4.466,550 4.52,551 4.52,552 2.519,553 4.168,554 4.56,555 3.301,556 910.95,557 7.881,558 10481.9,559 1,560 1,561 1,562 1,563 192.75,564 1.281,565 4.532,566 0.167,567 0.004,568 0.053,569 0.055,570 0.036,571 0.018,572 0.016,573 0.008,574 0.011,575 0.01,576 0.378,577 0.33,578 1,579 0.789,580 112.569,581 -0.107,582 -0.258,583 0.062,584 -0.07,585 -0.084,586 -0.023,587 -0.219,588 0.133,589 0.132,590 0.284,591 -0.105,592 0.266,593 -0.139,594 -0.165,595 0.04,596 -0.071,597 -0.201,598 -0.055,599 0.319,600 -0.162,601 -0.035,602 -0.173,603 0.231,604 -0.183,605 -0.024,606 0.119,607 0.009,608 0.062,609 0.103,610 0.079,611 -0.251,612 0.009,613 -0.333,614 -0.064,615 -0.31,616 -0.214,617 0.061,618 -0.097,619 0.255,620 -0.027,621 0.113,622 0.111,623 -0.038,624 0.234,625 0.099,626 0.239,627 -0.034,628 0.249,629 0.972,630 1.8,631 0.792,632 17.458,633 1.021,634 1.121,635 1.128,636 1.272,637 0.72,638 3.332,639 3.664,640 3.989,641 4.317,642 4.575,643 4.663,644 4.82,645 4.963,646 4.984,647 5.094,648 5.5,649 0.698,650 339.41,651 3.332,652 4.875,653 5.746,654 6.642,655 7.533,656 8.438,657 9.336,658 10.244,659 11.147,660 12.057,661 13.5,669 1,671 4,674 4,675 6,676 4,679 1,680 4,682 21,692 1,697 2,699 37,700 21,701 1,702 27,704 40,705 16,706 14,707 3,708 3,710 4,711 7,721 14,722 2,732 1,733 1,736 13,737 7,738 1,739 8,740 1,743 5,747 0.5,748 2,751 1,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 24,790 1,791 2,797 1,801 5.4,806 2,808 11.667,809 7.55,810 5.361,811 1.953,812 4.355,813 1.574,814 1.022,815 3.963,816 11.944,817 3.651,818 4.341,819 5.042,820 5.749,821 6.369,822 6.771,823 7.266,824 7.768,825 8.044,826 8.458,827 0.833,828 39,829 8.772,831 3.689,832 7.694,833 16.603,835 13.316,837 2.194,838 52.667,842 141.253,843 129.109,844 85.153,846 22,848 31.278,849 97.831,850 163.253,851 85.153,852 21.766,854 28.429,855 102.772,856 84.256,857 3.074,858 137.218,860 141.253,861 182.984,862 22,863 31.278,865 141.253,866 22,869 49.329,870 66.512,871 67.142,872 31.278,873 141.253,874 107.153,875 129.109,878 141.253,879 52.2,880 76.908,881 18.011,882 89.142,883 141.253,884 107.153,885 129.109,887 0.573,888 0.35,889 0.203,890 0.116,891 20,892 8,893 0.1,894 4,895 2,896 1.211,897 3.615,898 204.813,899 0.211,900 19,901 102.039,902 1,904 15.181,905 6.266,906 2.803,907 3.307,908 107.153,909 10.416,910 17.41,913 1.504,914 2.897,916 18.011,917 377.514,918 37.5,926 37.774,927 41.491,928 0.348,929 0.721,930 0.833,931 0.857,932 0.868,933 0.868,934 4.869,935 1.323,936 5.727,937 4.086,938 4.344,939 5.027,940 1.454,941 6.564,942 4.183,943 6.102,944 1.178,945 7.292,946 3.058,947 3.892,948 4.913,950 7.486,951 3.68,952 7.43,953 0.541,954 8.957,955 2.836,956 5.953,957 7.379,958 1.175,959 10.625,960 5.658,961 8.8,962 0.471,963 10.682,964 1.341,965 6.347,966 8.139,968 12.411,969 5.985,970 10.204,971 0.396,972 12.446,973 0.682,974 7.857,975 10.058,976 0.966,977 15.069,978 7.431,979 11.634,980 -0.032,981 14.239,982 0.602,983 8.66,984 11.249,986 17.23,987 8.155,988 13.085,989 -0.562,990 16.053,991 -0.088,992 9.949,993 12.947,994 0.788,995 19.731,996 9.382,997 3.26,998 -0.694,999 17.885,1000 -1.485,1001 10.948,1002 14.346,1004 22.052,1005 10.297,1006 2.835,1007 11.466,1008 19.732,1009 -1.599,1010 12.15,1011 15.958,1012 0.634,1013 24.504,1014 11.434,1015 2.544,1016 8.686,1017 21.59,1018 4.842,1019 13.24,1020 17.452,1022 26.892,1023 12.439,1024 2.062,1025 8.106,1026 23.458,1027 3.858,1028 14.413,1029 19.034,1030 0.504,1031 29.331,1032 13.541,1033 2.061,1034 6.226,1035 25.334,1036 3.628,1037 15.545,1038 20.572,1040 31.746,1041 14.589,1042 1.838,1043 5.818,1044 27.218,1045 2.84,1046 16.711,1047 22.145,1048 0.395,1049 34.182,1050 15.68,1051 1.561,1052 5.604,1053 29.108,1054 2.604,1055 17.863,1056 23.702,1058 36.611,1059 16.749,1060 5939,1061 10611,1062 18.493,1063 26.631,1064 40.01,1065 41.032,1066 41.519,1067 40.013,1068 40.14,1069 56.144,1070 4.24,1071 117.021,1072 36.745,1073 5.519,1074 5.285,1075 6.541,1076 5.318,1077 5.26,1078 7.842,1079 1.72,1080 18.837,1081 5.015,1082 8.966,1083 1.482,1084 1.52,1085 1.538,1086 1.482,1087 1.487,1088 2.079,1089 0.157,1090 4.334,1091 1.361,1092 4.136,1093 4.158,1094 4.389,1095 4.102,1096 5.169,1097 4.065,1098 3.91,1099 3.929,1100 3.874,1101 3.818,1102 4.93,1103 3.825,1104 3.595,1105 3.655,1106 3.552,1107 3.402,1108 4.819,1109 3.432,1110 3.303,1111 3.355,1112 3.324,1113 3.006,1114 4.58,1115 3.026,1116 3.221,1117 3.294,1118 3.144,1119 2.995,1120 4.297,1121 2.985,1122 3.051,1123 3.094,1124 3.08,1125 2.941,1126 4.067,1127 2.917,1128 2.972,1129 3.054,1130 2.837,1131 2.764,1132 3.989,1133 2.757,1134 2.704,1135 2.776,1136 2.669,1137 2.566,1138 3.885,1139 2.551,1140 0.176,1141 0.122,1142 0.254,1143 0.155,1144 0.121,1145 4.745,1146 0.179,1147 3.285,1148 0.032,1149 6.86,1150 0.425,1151 4.186,1152 0.112,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.015,1158 1.899,1159 1.877,1160 1.974,1161 2.04,1162 1.078,1163 2.018,1164 1.818,1165 1.786,1166 1.869,1167 1.965,1168 0.933,1169 1.944,1170 1.682,1171 1.665,1172 1.677,1173 1.816,1174 0.794,1175 1.81,1176 1.227,1177 1.163,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.168,1183 1.09,1184 1.54,1185 1.47,1186 0.561,1187 1.493,1188 1.01,1189 0.98,1190 1.158,1191 1.196,1192 0.281,1193 1.2,1194 0.884,1195 0.829,1196 1.026,1197 1.008,1198 0.177,1199 1.043,1200 0.823,1201 0.762,1202 1.004,1203 0.972,1204 0.09,1205 1.011,1206 4.007,1208 5.333,1209 2.398,1210 6.868,1211 4.844,1212 8.499,1213 7.066,1214 10.18,1216 3.232,1223 3.301,1224 10.601,1231 25.831,1232 67.034,1233 138.975,1234 160.485,1235 165.24,1236 167.24,1237 167.24,1238 26.565,1239 7.589,1240 82.05,1241 110.29,1242 23,1243 12.574,1244 4.459,1245 3.524,1246 33.77,1247 79,1248 72,1249 0.211,1250 161.423,1251 259.65,1252 385.631,1253 20191,1255 16.518,1256 0.688,1257 0.575,1258 16.872,1259 13.794,1260 11.78,1261 0.436,1262 0.294,1263 7.033,1264 10.714,1265 6.768,1266 5.638,1267 12.188,1268 7.942,1269 10.32,1270 0.272,1271 0.156,1272 10.936,1273 5.938,1274 9.151,1275 0.173,1276 0.087,1277 10.01,1278 4.589,1279 8.017,1280 0.108,1281 0.046,1282 8.994,1283 3.403,1284 6.854,1285 0.071,1286 0.024,1287 7.803,1288 2.338,1289 0.325,1290 79.215,1291 0.233,1292 23.052,1293 0.601,1294 130,1295 431.245,1296 170.984,1297 431.406,1298 599.82,1299 408,1300 156,1301 432.946,1302 197.391,1303 455.525,1304 668.82,1305 425,1306 5} {0 CHEMBL2153546,1 1.834,2 9.538,3 2.768,4 7.662,5 97.451,6 9.011,7 0.724,8 3.871,9 3.96,10 3.645,11 3.396,12 5.09,13 3.406,14 4.357,15 4.499,16 4.022,17 3.743,18 5.515,19 3.749,20 4.391,21 4.497,22 4.169,23 3.826,24 5.625,25 3.835,26 4.491,27 4.618,28 4.066,29 3.879,30 5.667,31 3.845,32 4.629,33 4.802,34 3.895,35 3.85,36 5.722,37 3.793,38 4.552,39 4.741,40 3.768,41 3.796,42 5.604,43 3.708,44 4.545,45 4.812,46 3.747,47 3.648,48 5.473,49 3.561,50 4.271,51 4.477,52 3.721,53 3.483,54 5.368,55 3.457,56 0.124,57 0.651,58 6.163,59 3.567,60 6.738,61 3.589,62 0.484,63 0.999,64 15.645,65 5.736,66 28.249,67 5.521,68 0.493,69 1.114,70 13.833,71 5.388,72 21.843,73 5.532,74 0.467,75 1.141,76 16.199,77 7.399,78 21.398,79 7.798,80 0.75,81 1.2,82 22.508,83 8.18,84 42.726,85 8.239,86 0.552,87 1.144,88 20.26,89 7.597,90 32.813,91 8.408,92 0.512,93 1.052,94 26.167,95 8.162,96 35.201,97 10.707,98 0.457,99 0.834,100 16.944,101 5.51,102 29.256,103 6.216,104 19,105 41,106 0.318,107 0.64,108 0.726,109 0.746,110 0.766,111 0.801,112 3.305,113 0.877,114 -1.85,115 -1.91,116 -1.92,119 41.5,123 3,133 2,135 4,136 2,137 2,138 1,139 1,143 1,150 1,161 1,162 3,164 1,166 2,168 1,171 4,172 5,176 1,181 2,182 4,185 3,193 2,197 3,202 2,205 2,206 2,216 1,217 6,228 2,229 1,241 5,255 906,256 18.196,257 18.196,258 18.196,259 18.196,260 18.196,261 15.789,262 19.638,263 10.571,264 19.173,265 14.151,266 14.151,267 14.151,268 14.151,269 14.151,270 10.323,271 32.239,272 4.727,273 15.489,274 3.523,275 1.668,276 1.172,277 1.056,278 0.94,279 0.738,280 4.005,283 1,284 1,285 541,286 2.915,288 39.502,289 187.981,291 160.187,295 1.343,296 23.777,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 57.5,307 248,308 4.745,309 3.379,310 6.86,311 4.188,312 3.261,313 4.842,314 0.86,315 11.467,316 3.017,317 4.422,318 3.272,319 6.524,320 4.003,321 3.061,322 4.107,323 0.86,324 10.262,325 2.878,326 4.002,327 2.731,328 6.008,329 3.523,330 2.595,331 3.649,332 0.86,333 8.532,334 2.402,335 3.555,336 2.555,337 5.344,338 3.125,339 2.182,340 2.924,341 0.4,342 6.755,343 2.049,344 3.355,345 2.315,346 5.19,347 2.972,348 2.061,349 2.726,351 6.118,352 1.867,353 3.345,354 1.979,355 5.09,356 2.781,357 1.874,358 2.604,360 5.796,361 1.694,362 3.054,363 1.866,364 4.453,365 2.458,366 1.569,367 2.321,369 4.145,370 1.378,371 2.822,372 1.579,373 3.813,374 2.234,375 1.324,376 1.983,378 3.06,379 1.198,380 2.658,381 1.325,382 3.778,383 2.12,384 1.209,385 1.73,386 2.85,387 1.095,388 2.205,389 1.215,390 3.6,391 1.956,392 1.119,393 1.188,394 2.383,395 0.93,396 1.971,397 1.012,398 3.178,399 1.397,400 0.538,401 0.752,402 1.321,403 0.456,404 1.576,405 0.916,406 2.859,407 1.27,408 0.396,409 0.452,411 0.603,412 0.342,413 1.441,414 0.588,415 2.844,416 1.169,417 0.331,418 0.359,420 0.444,421 0.275,422 1.267,423 0.228,424 2.488,425 0.871,426 -0.028,427 -0.036,429 -0.064,430 -0.025,431 0.882,432 -0.07,433 2.414,434 0.443,435 -0.458,436 -0.567,438 -0.906,439 -0.404,440 12.333,441 0.474,442 0.513,443 0.02,444 38.5,445 1.481,446 20,447 0.769,448 18.5,449 0.712,450 18.607,451 0.716,452 27.267,453 0.665,454 27.188,455 1.046,456 7.732,457 0.297,458 5.013,459 0.193,460 0.122,462 0.365,466 0.948,467 1.384,468 0.665,469 1.032,470 0.839,471 0.881,472 1.462,473 0.853,474 0.785,475 0.608,476 1.256,477 0.521,478 0.887,479 1.274,480 0.795,481 1.047,482 0.865,483 0.85,484 0.798,485 1.213,486 0.995,487 1.208,488 0.67,489 1.122,490 1.484,491 0.844,492 1.197,493 0.917,494 1.351,495 1.057,496 1.067,497 1.073,498 1.198,499 1.092,500 1.133,501 1.221,502 0.627,503 0.805,504 0.599,505 0.788,506 0.639,507 0.744,508 1.077,509 0.77,510 0.745,511 0.728,512 1.081,513 0.676,514 4.5,515 0.11,516 2.889,517 2.451,518 1.635,519 0.684,520 0.535,521 0.287,522 0.311,523 0.253,524 7593,525 24139,526 2.124,527 36.6,529 11,531 3,532 1,536 1.694,537 2,538 3.251,539 -0.218,540 1,541 1,545 75.205,546 1.834,547 3.689,548 4.186,549 4.302,550 4.418,551 4.619,552 2.643,553 4.316,554 4.676,555 3.382,556 1099.09,557 8.115,558 13381.2,559 1,560 1,562 1,563 219.66,564 1.37,565 4.637,566 0.155,567 0.007,568 0.07,569 0.054,570 0.039,571 0.02,572 0.018,573 0.01,574 0.011,575 0.011,576 0.397,577 0.33,578 1,579 0.9,580 125.474,581 -0.108,582 -0.293,583 0.067,584 -0.104,585 -0.074,586 -0.039,587 -0.265,588 0.187,589 0.165,590 0.368,591 -0.183,592 0.364,593 0.14,594 -0.151,595 0.121,596 -0.058,597 0.06,598 -0.017,599 0.149,600 -0.184,601 -0.074,602 -0.2,603 0.181,604 -0.206,605 -0.256,606 0.105,607 -0.252,608 0.031,609 -0.248,610 -0.12,611 -0.144,612 -0.1,613 -0.256,614 -0.135,615 -0.228,616 -0.249,617 0.168,618 0.054,619 0.449,620 0.181,621 0.286,622 0.384,623 0.003,624 0.189,625 0.27,626 0.232,627 0.037,628 0.312,629 1.136,630 1.897,631 0.731,632 19.822,633 1.024,634 1.125,635 0.623,636 0.388,637 0.704,638 3.401,639 3.738,640 4.094,641 4.419,642 4.654,643 4.736,644 4.898,645 5.056,646 5.088,647 5.209,648 5.798,649 0.685,650 369.44,651 3.401,652 4.949,653 5.832,654 6.735,655 7.635,656 8.544,657 9.449,658 10.361,659 11.268,660 12.181,661 12.2,669 1,671 4,674 4,675 5,676 4,679 1,680 5,682 21,692 1,697 3,699 41,700 21,701 1,702 29,704 44,705 17,706 14,707 4,708 2,710 4,711 7,721 14,722 3,732 1,733 1,736 15,737 8,738 1,739 9,740 1,743 5,747 0.5,748 3,751 1,755 1,759 1,760 3,762 2,777 2,779 1,781 3,785 26,790 1,791 3,797 1,801 7.3,806 3,808 13,809 8.633,810 5.917,811 2.119,812 4.364,813 1.564,814 1,815 4.635,816 12.107,817 3.701,818 4.391,819 5.107,820 5.802,821 6.413,822 6.814,823 7.305,824 7.808,825 8.092,826 8.519,827 1,828 45,829 9.507,831 3.974,832 7.724,833 17.912,835 14.213,837 2.224,838 57.833,841 1,842 164.795,843 135.759,844 85.153,846 33,848 31.278,849 104.481,850 197.795,851 85.153,852 32.649,854 18.952,855 102.772,856 100.499,857 3.074,858 160.76,860 164.795,861 189.634,862 33,863 31.278,865 164.795,866 33,869 49.329,870 73.162,871 67.142,872 31.278,873 164.795,874 118.153,875 135.759,878 164.795,879 57.444,880 78.315,881 18.011,882 100.142,883 164.795,884 118.153,885 135.759,887 0.571,888 0.366,889 0.218,890 0.117,891 21,892 9,893 0.114,894 5,895 2,896 1.211,897 3.717,898 229.81,899 0.211,900 19,901 112.211,902 1,904 17.033,905 7.075,906 2.999,907 3.226,908 118.153,909 8.46,910 17.441,913 1.487,914 3.05,916 18.011,917 418.707,918 39.5,926 41.985,927 46.116,928 0.342,929 0.689,930 0.781,931 0.803,932 0.825,933 0.862,934 4.929,935 1.324,936 5.82,937 4.145,938 4.419,939 5.078,940 1.751,941 6.686,942 4.249,943 6.165,944 1.209,945 7.408,946 3.06,947 4.007,948 5.007,950 7.687,951 3.794,952 7.502,953 1.119,954 9.098,955 2.85,956 6.057,957 7.442,958 1.466,959 10.826,960 5.751,961 8.884,962 0.538,963 10.848,964 2.383,965 6.509,966 8.243,968 12.663,969 6.142,970 10.299,971 0.396,972 12.636,973 1.321,974 8.002,975 10.136,976 1.234,977 15.316,978 7.565,979 11.74,980 0.331,981 14.451,982 0.603,983 8.85,984 11.347,986 17.492,987 8.339,988 13.201,989 -0.028,990 16.285,991 0.444,992 10.129,993 13.029,994 1.028,995 19.985,996 9.555,997 3.261,998 -0.458,999 18.133,1000 -0.064,1001 11.155,1002 14.434,1004 22.3,1005 10.501,1006 3.061,1007 11.467,1008 19.992,1009 -0.906,1010 12.354,1011 16.035,1012 0.845,1013 24.741,1014 11.635,1015 2.595,1016 10.262,1017 21.86,1018 4.842,1019 13.457,1020 17.527,1022 27.114,1023 12.659,1024 2.182,1025 8.532,1026 23.735,1027 4.107,1028 14.629,1029 19.101,1030 0.684,1031 29.539,1032 13.762,1033 2.061,1034 6.755,1035 25.616,1036 3.649,1037 15.765,1038 20.633,1040 31.939,1041 14.82,1042 1.874,1043 6.118,1044 27.502,1045 2.924,1046 16.929,1047 22.2,1048 0.546,1049 34.361,1050 15.912,1051 1.569,1052 5.796,1053 29.392,1054 2.726,1055 18.081,1056 23.752,1058 36.774,1059 16.986,1060 7267,1061 13111,1062 19.592,1063 28.847,1064 42.885,1065 44.169,1066 45.566,1067 42.899,1068 43.042,1069 59.274,1070 5.96,1071 127.471,1072 39.165,1073 5.521,1074 5.379,1075 6.541,1076 5.32,1077 5.261,1078 7.842,1079 1.72,1080 18.837,1081 5.017,1082 11.437,1083 1.479,1084 1.523,1085 1.571,1086 1.479,1087 1.484,1088 2.044,1089 0.206,1090 4.396,1091 1.351,1092 4.137,1093 4.159,1094 4.389,1095 4.103,1096 5.17,1097 4.065,1098 3.923,1099 3.934,1100 3.899,1101 3.82,1102 4.975,1103 3.833,1104 3.598,1105 3.658,1106 3.556,1107 3.403,1108 4.825,1109 3.433,1110 3.303,1111 3.355,1112 3.324,1113 3.021,1114 4.58,1115 3.035,1116 3.272,1117 3.334,1118 3.144,1119 3.006,1120 4.467,1121 3.026,1122 3.198,1123 3.278,1124 3.144,1125 2.965,1126 4.297,1127 2.925,1128 3.048,1129 3.088,1130 2.974,1131 2.894,1132 4.061,1133 2.892,1134 2.922,1135 3.008,1136 2.825,1137 2.721,1138 3.988,1139 2.718,1140 0.164,1141 0.117,1142 0.237,1143 0.144,1144 0.112,1145 4.745,1146 0.167,1147 3.379,1148 0.03,1149 6.86,1150 0.395,1151 4.188,1152 0.104,1153 3.261,1154 4.842,1155 0.86,1156 11.467,1157 3.017,1158 1.896,1159 1.877,1160 1.956,1161 2.042,1162 1.079,1163 2.016,1164 1.817,1165 1.786,1166 1.866,1167 1.969,1168 0.933,1169 1.943,1170 1.682,1171 1.666,1172 1.677,1173 1.82,1174 0.794,1175 1.811,1176 1.227,1177 1.163,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.206,1183 1.139,1184 1.571,1185 1.519,1186 0.574,1187 1.535,1188 1.157,1189 1.069,1190 1.535,1191 1.47,1192 0.561,1193 1.493,1194 1.002,1195 0.978,1196 1.092,1197 1.15,1198 0.278,1199 1.16,1200 0.841,1201 0.79,1202 1.006,1203 1.004,1204 0.09,1205 1.013,1206 4.078,1208 5.407,1209 2.398,1210 6.956,1211 4.844,1212 8.604,1213 7.066,1214 10.303,1216 4.721,1223 3.297,1224 16.151,1231 28.073,1232 75.205,1233 151.256,1234 171.621,1235 176.375,1236 181.13,1237 189.395,1238 32.423,1239 7.743,1240 91.28,1241 119.52,1242 23,1243 12.695,1244 4.459,1245 3.524,1246 37.944,1247 92,1248 80,1249 0.207,1250 175.011,1251 285.74,1252 418.787,1253 24153,1255 18.096,1256 0.696,1257 0.582,1258 18.449,1259 15.125,1260 12.745,1261 0.439,1262 0.292,1263 7.526,1264 11.54,1265 7.219,1266 6.033,1267 13.153,1268 8.477,1269 10.945,1270 0.267,1271 0.152,1272 11.56,1273 6.25,1274 10,1275 0.169,1276 0.083,1277 10.859,1278 4.902,1279 8.94,1280 0.109,1281 0.045,1282 9.917,1283 3.677,1284 7.416,1285 0.071,1286 0.024,1287 8.365,1288 2.493,1289 0.319,1290 86.124,1291 0.226,1292 24.667,1293 0.586,1294 140,1295 486.98,1296 183.863,1297 477.532,1298 661.45,1299 452,1300 170,1301 475.492,1302 215.598,1303 497.996,1304 734.1,1305 463,1306 5} {0 CHEMBL2153547,1 1.852,2 8.783,3 2.585,4 6.684,5 83.828,6 10.105,7 0.778,8 3.681,9 3.757,10 3.558,11 3.283,12 4.9,13 3.3,14 4.169,15 4.268,16 3.979,17 3.67,18 5.41,19 3.678,20 4.228,21 4.359,22 3.992,23 3.677,24 5.413,25 3.667,26 4.18,27 4.324,28 3.772,29 3.613,30 5.306,31 3.558,32 4.121,33 4.311,34 3.59,35 3.473,36 5.233,37 3.407,38 3.966,39 4.118,40 3.536,41 3.403,42 5.112,43 3.356,44 3.938,45 4.11,46 3.465,47 3.278,48 5.049,49 3.242,50 3.766,51 3.923,52 3.38,53 3.078,54 4.937,55 3.088,56 0.126,57 0.535,58 2.891,59 2.505,60 5.768,61 2.015,62 0.418,63 0.876,64 7.47,65 4.271,66 20.096,67 3.089,68 0.329,69 0.982,70 9.3,71 4.57,72 16.956,73 3.821,74 0.342,75 0.881,76 10.767,77 5.31,78 16.665,79 4.828,80 0.373,81 0.842,82 12.532,83 5.11,84 22.362,85 5.123,86 0.272,87 0.714,88 9.09,89 4.074,90 15.07,91 3.433,92 0.271,93 0.658,94 9.58,95 4.118,96 15.2,97 3.902,98 0.277,99 0.54,100 7.348,101 3.111,102 16.543,103 2.55,105 39,106 0.334,107 0.687,108 0.819,109 0.869,110 0.891,111 0.891,112 3.19,113 0.857,114 -2.51,115 -2.54,116 -2.48,119 46.9,125 1,133 3,135 3,136 2,137 2,138 1,139 1,143 1,150 1,159 1,161 2,162 3,164 1,166 2,168 1,171 2,172 6,176 2,178 1,181 1,182 3,185 2,193 2,194 1,197 3,202 2,205 1,206 2,213 1,216 1,217 6,228 1,229 3,241 3,255 666,256 16.24,257 16.24,258 16.24,259 16.24,260 16.24,261 13.834,262 16.088,263 9.539,264 16.851,265 13.391,266 13.391,267 13.391,268 13.391,269 13.391,270 9.71,271 27.045,272 4.552,273 14.434,274 3.148,275 1.196,276 0.461,277 0.188,278 0.063,279 0.063,280 3.912,283 1,284 1,285 469,286 2.236,288 74.862,289 134.471,291 199.701,295 1.289,296 19.837,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 50.5,307 202,308 4.744,309 3.322,310 6.86,311 4.186,312 3.26,313 4.842,314 1.392,315 11.466,316 3.015,317 4.294,318 3.268,319 6.198,320 3.893,321 2.943,322 3.933,323 0.532,324 9.277,325 2.786,326 3.998,327 2.746,328 6.003,329 3.523,330 2.594,331 3.643,332 0.4,333 8.51,334 2.402,335 3.565,336 2.34,337 5.323,338 3.149,339 2.202,340 2.926,342 6.703,343 2.077,344 3.349,345 1.992,346 5.078,347 2.787,348 1.879,349 2.732,351 5.785,352 1.7,353 3.055,354 1.925,355 4.454,356 2.477,357 1.57,358 2.322,360 4.248,361 1.438,362 2.886,363 1.718,364 4.353,365 2.458,366 1.534,367 2.024,369 4.094,370 1.379,371 2.822,372 1.57,373 3.812,374 2.234,375 1.324,376 1.983,378 3.059,379 1.198,380 2.658,381 1.325,382 3.601,383 2.142,384 1.201,385 1.731,386 2.844,387 1.127,388 2.208,389 1.209,390 3.453,391 2.064,392 1.087,393 1.186,394 2.447,395 1.056,396 1.986,397 0.816,398 3.208,399 1.474,400 0.575,401 0.78,402 1.428,403 0.509,404 1.702,405 0.567,406 3.041,407 1.317,408 0.427,409 0.535,411 1.049,412 0.376,413 1.245,414 0.1,415 2.828,416 0.843,417 -0.069,418 -0.088,420 -0.184,421 -0.062,422 0.812,423 -0.393,424 2.414,425 0.356,426 -0.577,427 -0.766,429 -1.489,430 -0.527,431 0.799,432 -0.585,433 2.321,434 0.207,435 -0.701,436 -1.051,438 -1.781,439 -0.627,440 11,441 0.478,442 0.462,443 0.02,444 36.5,445 1.587,446 19.5,447 0.848,448 17,449 0.739,450 13.975,451 0.608,452 22.6,453 0.706,454 22.326,455 0.971,456 7.014,457 0.305,458 4.368,459 0.19,462 0.364,466 0.957,467 1.228,468 0.617,469 0.877,470 0.863,471 0.735,472 1.197,473 0.946,474 0.829,475 0.758,476 1.108,477 0.695,478 0.948,479 1.23,480 0.891,481 1.082,482 0.936,483 0.95,484 0.869,485 1.09,486 1.184,487 1.139,488 0.823,489 1.136,490 0.713,491 0.803,492 1.125,493 0.967,494 0.807,495 1.026,496 0.951,497 1.041,498 1.256,499 1.076,500 1.012,501 1.057,502 0.883,503 1.029,504 0.999,505 1.11,506 0.93,507 1.073,508 1.328,509 0.855,510 0.836,511 0.848,512 1.321,513 0.803,514 3.5,515 0.032,516 2.444,517 1.708,518 1.039,519 0.354,520 0.398,521 0.202,522 0.13,523 0.098,524 6306,525 19656,526 2.303,527 28.1,529 3,530 2,531 3,532 1,536 1.657,537 2.262,538 3.162,539 -0.198,541 1,543 1,545 59.258,546 1.852,547 3.804,548 4.539,549 4.813,550 4.938,551 4.938,552 2.525,553 4.437,554 4.5,555 3.283,556 830.698,557 7.742,558 9166.75,559 1,560 1,562 1,563 160,564 0.932,565 4.495,566 0.13,567 0.004,568 0.063,569 0.046,570 0.034,571 0.014,572 0.016,573 0.009,574 0.007,575 0.007,576 0.328,577 0.5,578 0.88,580 106.208,581 -0.15,582 -0.23,583 0.043,584 -0.052,585 -0.135,586 -0.008,587 -0.093,588 0.073,589 0.007,590 0.157,591 -0.133,592 0.086,593 -0.086,594 -0.194,595 0.065,596 -0.12,597 -0.071,598 -0.078,599 -0.022,600 -0.113,601 -0.148,602 -0.112,603 0.013,604 -0.163,605 0.099,606 0.187,607 -0.045,608 0.053,609 0.13,610 0.041,611 -0.14,612 -0.028,613 -0.233,614 -0.067,615 -0.146,616 -0.102,617 0.017,618 -0.084,619 0.033,620 -0.112,621 0.032,622 -0.027,623 -0.13,624 0.11,625 0.122,626 0.098,627 -0.143,628 0.161,629 1.246,630 1.9,631 0.957,632 15.777,633 1.031,634 1.114,635 1.284,636 1.65,637 0.753,638 3.332,639 3.689,640 4.043,641 4.382,642 4.615,643 4.718,644 4.898,645 5.081,646 5.069,647 5.204,648 5.386,649 0.743,650 323.36,651 3.332,652 4.89,653 5.778,654 6.681,655 7.582,656 8.491,657 9.397,658 10.307,659 11.216,660 12.128,661 15.6,669 1,671 4,674 4,675 6,676 4,679 1,680 4,682 21,692 1,697 2,699 32,700 21,701 1,702 27,704 36,705 15,706 14,707 3,708 3,710 5,711 9,721 14,722 1,732 1,733 1,736 9,737 7,738 1,739 8,740 1,743 5,747 0.4,748 2,751 1,755 1,759 2,760 3,762 3,777 2,779 1,785 23,789 1,790 1,791 2,797 1,801 6.3,806 2,808 10.167,809 6.05,810 4.889,811 1.793,812 4.408,813 1.559,814 1.092,815 2.896,816 12.294,817 3.651,818 4.353,819 5.064,820 5.766,821 6.385,822 6.787,823 7.292,824 7.807,825 8.061,826 8.481,827 0.833,828 37,829 8.427,831 3.704,832 7.681,833 16.005,835 13.438,837 2.181,838 50.167,842 94.169,843 113.993,844 85.153,846 22,848 31.278,849 82.715,850 116.169,851 85.153,853 6.65,854 28.429,855 102.772,856 84.256,857 26.616,858 66.591,860 94.169,861 167.868,862 22,863 31.278,865 94.169,866 22,869 55.98,870 44.746,871 67.142,872 31.278,873 94.169,874 107.153,875 113.993,878 94.169,879 58.85,880 55.142,881 18.011,882 89.142,883 94.169,884 107.153,885 113.993,887 0.585,888 0.355,889 0.208,890 0.111,891 23,892 8,893 0.056,894 2,895 3,896 1.273,897 3.664,898 201.3,899 0.273,900 22,901 104.042,902 1,904 13.11,905 5.081,906 2.123,907 3.364,908 107.153,909 10.554,910 17.389,913 1.516,914 3.06,916 18.011,917 315.314,918 37.5,926 33.007,927 35.661,928 0.37,929 0.761,930 0.908,931 0.963,932 0.988,933 0.988,934 4.885,935 1.324,936 5.759,937 4.094,938 4.369,939 5.04,940 1.751,941 6.608,942 4.222,943 6.116,944 1.201,945 7.33,946 3.059,947 3.892,948 4.913,950 7.545,951 3.68,952 7.446,953 1.087,954 9.003,955 2.844,956 5.989,957 7.391,958 2.164,959 10.697,960 5.705,961 8.819,962 0.575,963 10.738,964 2.447,965 6.399,966 8.162,968 12.51,969 6.038,970 10.228,971 0.427,972 12.514,973 1.428,974 7.919,975 10.078,976 2.746,977 15.159,978 7.5,979 11.664,980 -0.069,981 14.319,982 1.049,983 8.74,984 11.276,986 17.326,987 8.236,988 13.121,989 -0.577,990 16.144,991 -0.184,992 10.031,993 12.97,994 3.372,995 19.816,996 9.468,997 3.26,998 -0.701,999 17.984,1000 -1.489,1001 11.039,1002 14.371,1004 22.132,1005 10.391,1006 2.943,1007 11.466,1008 19.837,1009 -1.781,1010 12.242,1011 15.979,1012 4.015,1013 24.573,1014 11.529,1015 2.594,1016 9.277,1017 21.699,1018 4.842,1019 13.334,1020 17.472,1022 26.953,1023 12.537,1024 2.202,1025 8.51,1026 23.569,1027 3.933,1028 14.506,1029 19.051,1030 4.667,1031 29.382,1032 13.639,1033 1.879,1034 6.703,1035 25.445,1036 3.643,1037 15.636,1038 20.587,1040 31.79,1041 14.688,1042 1.57,1043 5.785,1044 27.328,1045 2.926,1046 16.799,1047 22.158,1048 5.323,1049 34.22,1050 15.777,1051 1.534,1052 4.248,1053 29.215,1054 2.732,1055 17.948,1056 23.713,1058 36.642,1059 16.845,1060 5629,1061 10092,1062 19.186,1063 24.108,1064 41.199,1065 41.826,1066 41.436,1067 41.186,1068 41.194,1069 57.274,1070 4.646,1071 121.824,1072 38.127,1073 5.581,1074 5.322,1075 6.541,1076 5.32,1077 5.26,1078 7.842,1079 2.783,1080 18.836,1081 5.015,1083 1.526,1084 1.549,1085 1.535,1086 1.525,1087 1.526,1088 2.121,1089 0.172,1090 4.512,1091 1.412,1092 4.137,1093 4.159,1094 4.389,1095 4.102,1096 5.17,1097 4.065,1098 3.939,1099 3.952,1100 3.907,1101 3.833,1102 5.005,1103 3.844,1104 3.601,1105 3.66,1106 3.56,1107 3.404,1108 4.828,1109 3.435,1110 3.313,1111 3.347,1112 3.326,1113 3.051,1114 4.4,1115 3.086,1116 3.049,1117 3.088,1118 3.22,1119 2.969,1120 4.081,1121 2.927,1122 2.96,1123 3.03,1124 2.881,1125 2.779,1126 3.998,1127 2.782,1128 2.789,1129 2.845,1130 2.726,1131 2.644,1132 3.98,1133 2.639,1134 2.631,1135 2.712,1136 2.568,1137 2.438,1138 3.861,1139 2.43,1140 0.176,1141 0.123,1142 0.254,1143 0.155,1144 0.121,1145 4.744,1146 0.179,1147 3.322,1148 0.052,1149 6.86,1150 0.425,1151 4.186,1152 0.112,1153 3.26,1154 4.842,1155 1.392,1156 11.466,1157 3.015,1158 1.888,1159 1.862,1160 1.957,1161 2.03,1162 1.069,1163 2.005,1164 1.811,1165 1.78,1166 1.864,1167 1.942,1168 0.931,1169 1.929,1170 1.678,1171 1.662,1172 1.67,1173 1.802,1174 0.793,1175 1.798,1176 1.161,1177 1.129,1178 1.439,1179 1.52,1180 0.579,1181 1.486,1182 1.017,1183 0.987,1184 1.142,1185 1.223,1186 0.28,1187 1.203,1188 0.885,1189 0.859,1190 1.066,1191 1.008,1192 0.175,1193 1.037,1194 0.821,1195 0.766,1196 1.011,1197 0.988,1198 0.092,1199 1.015,1200 0.794,1201 0.73,1202 0.857,1203 0.97,1204 0.025,1205 1.01,1206 4.007,1208 5.352,1209 3.045,1210 6.899,1211 5.416,1212 8.538,1213 7.545,1214 10.225,1222 0.254,1223 3.306,1224 10.724,1231 23.777,1232 59.258,1233 121.735,1234 145.245,1235 154,1236 158,1237 158,1238 22.205,1239 7.886,1240 82.05,1241 110.29,1242 28,1243 12.642,1244 4.459,1245 3.524,1246 28.635,1247 74,1248 64,1249 0.189,1250 144.437,1251 229.99,1252 344.186,1253 30296,1255 15.225,1256 0.662,1257 0.544,1258 15.579,1259 12.501,1260 11.382,1261 0.422,1262 0.286,1263 6.816,1264 10.381,1265 6.66,1266 5.458,1267 11.79,1268 7.709,1269 10.329,1270 0.265,1271 0.151,1272 10.944,1273 5.904,1274 9.395,1275 0.168,1276 0.082,1277 10.254,1278 4.61,1279 8.469,1280 0.107,1281 0.044,1282 9.446,1283 3.498,1284 6.96,1285 0.07,1286 0.023,1287 7.91,1288 2.338,1289 0.292,1290 76.417,1291 0.228,1292 22.305,1293 0.534,1294 132,1295 433.245,1296 174.534,1297 432.616,1298 608.16,1299 410,1300 161,1301 447.765,1302 204.494,1303 465.921,1304 694.61,1305 438,1306 5} {0 CHEMBL2153548,1 1.825,2 9.458,3 2.603,4 6.776,5 89.018,6 9.64,7 0.75,8 3.751,9 3.833,10 3.591,11 3.347,12 4.939,13 3.355,14 4.252,15 4.365,16 4.002,17 3.729,18 5.433,19 3.728,20 4.393,21 4.536,22 4.068,23 3.762,24 5.559,25 3.753,26 4.264,27 4.411,28 3.824,29 3.704,30 5.367,31 3.641,32 4.238,33 4.428,34 3.657,35 3.598,36 5.317,37 3.519,38 4.13,39 4.312,40 3.582,41 3.502,42 5.207,43 3.435,44 4.047,45 4.236,46 3.504,47 3.356,48 5.117,49 3.31,50 3.892,51 4.063,52 3.457,53 3.194,54 5.022,55 3.193,56 0.108,57 0.577,58 4.02,59 2.861,60 6.041,61 2.573,62 0.332,63 0.945,64 9.715,65 4.908,66 19.375,67 4.114,68 0.521,69 1.087,70 14.601,71 5.717,72 27.138,73 5.151,74 0.322,75 0.953,76 12.408,77 5.867,78 16.732,79 5.733,80 0.364,81 0.93,82 14.026,83 5.781,84 22.649,85 6.191,86 0.291,87 0.821,88 12.689,89 5.101,90 18.321,91 5.178,92 0.286,93 0.73,94 11.931,95 4.595,96 17.425,97 4.705,98 0.28,99 0.609,100 9.335,101 3.617,102 17.467,103 3.42,105 40,106 0.324,107 0.676,108 0.796,109 0.84,110 0.86,111 0.871,112 3.229,113 0.88,114 -2.36,115 -2.39,116 -2.35,119 45.7,124 2,133 3,135 3,136 2,137 2,138 1,139 1,143 1,150 1,159 1,161 1,162 3,164 1,166 2,168 1,171 3,172 6,176 2,178 1,181 1,182 3,185 2,193 2,194 1,197 3,202 2,205 1,206 2,213 1,216 1,217 6,228 1,229 3,241 3,255 748,256 16.947,257 16.947,258 16.947,259 16.947,260 16.947,261 14.541,262 17.482,263 10.039,264 17.682,265 13.891,266 13.891,267 13.891,268 13.891,269 13.891,270 10.21,271 28.789,272 4.8,273 15.133,274 3.305,275 1.322,276 0.65,277 0.4,278 0.286,279 0.229,280 3.953,283 1,284 1,285 524,286 2.236,288 32.597,289 193.976,291 131.733,292 85.853,295 1.375,296 20.87,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.5,307 227,308 4.744,309 3.295,310 6.86,311 4.186,312 3.26,313 4.842,314 0.86,315 11.466,316 3.015,317 4.283,318 3.241,319 6.188,320 3.87,321 2.927,322 3.925,323 0.86,324 9.25,325 2.757,326 3.996,327 2.74,328 6.003,329 3.518,330 2.591,331 3.642,332 0.4,333 8.507,334 2.393,335 3.56,336 2.337,337 5.322,338 3.14,339 2.199,340 2.921,342 6.697,343 2.058,344 3.348,345 2.175,346 5.078,347 2.786,348 1.88,349 2.73,351 5.785,352 1.698,353 3.055,354 1.929,355 4.464,356 2.53,357 1.618,358 2.322,360 4.384,361 1.469,362 2.923,363 1.781,364 4.391,365 2.46,366 1.573,367 2.061,369 4.111,370 1.379,371 2.822,372 1.576,373 3.812,374 2.321,375 1.404,376 1.983,378 3.062,379 1.275,380 2.659,381 1.325,382 3.618,383 2.234,384 1.323,385 1.732,386 3.002,387 1.198,388 2.474,389 1.212,390 3.6,391 2.106,392 1.181,393 1.473,394 2.833,395 1.086,396 2.006,397 1.007,398 3.233,399 1.612,400 0.713,401 0.866,402 1.662,403 0.634,404 1.892,405 0.6,406 3.138,407 1.377,408 0.518,409 0.716,411 1.297,412 0.439,413 1.314,414 0.217,415 2.863,416 0.911,417 0.008,418 0.01,420 0.021,421 0.007,422 0.908,423 -0.133,424 2.415,425 0.458,426 -0.453,427 -0.576,429 -1.103,430 -0.406,431 0.799,432 -0.314,433 2.331,434 0.311,435 -0.618,436 -0.729,438 -1.596,439 -0.565,440 11.5,441 0.479,442 0.462,443 0.019,444 37,445 1.542,446 19.5,447 0.813,448 17.5,449 0.729,450 15.516,451 0.647,452 23.9,453 0.683,454 23.123,455 0.963,456 7.069,457 0.295,458 4.813,459 0.201,462 0.348,466 0.935,467 1.243,468 0.628,469 0.899,470 0.821,471 0.768,472 1.305,473 1.019,474 0.826,475 0.842,476 1.142,477 0.761,478 1.223,479 1.081,480 0.877,481 0.917,482 1.103,483 0.817,484 0.839,485 1.11,486 1.139,487 1.141,488 0.791,489 1.126,490 0.672,491 0.858,492 1.092,493 1.012,494 0.784,495 1.077,496 0.862,497 1.06,498 1.138,499 1.056,500 0.915,501 1.044,502 0.909,503 0.979,504 0.966,505 1.026,506 0.917,507 0.99,508 1.241,509 0.89,510 0.773,511 0.827,512 1.224,513 0.775,514 3.5,515 0.037,516 2.444,517 1.639,518 1.226,519 0.358,520 0.432,521 0.206,522 0.136,523 0.128,524 7064,525 21016,526 2.289,527 31.4,529 7,531 3,532 1,536 1.668,537 2.25,538 3.248,539 -0.219,541 1,543 1,545 63.862,546 1.825,547 3.807,548 4.479,549 4.729,550 4.844,551 4.901,552 2.669,553 4.335,554 4.561,555 3.359,556 927.11,557 7.863,558 10583.7,559 1,560 1,561 1,562 1,563 179.525,564 0.918,565 4.557,566 0.125,567 0.003,568 0.061,569 0.041,570 0.037,571 0.013,572 0.017,573 0.009,574 0.006,575 0.008,576 0.32,577 0.5,578 0.88,580 112.875,581 -0.123,582 -0.223,583 0.054,584 -0.05,585 -0.077,586 -0.006,587 -0.205,588 0.003,589 0.03,590 0.083,591 -0.158,592 0.057,593 -0.044,594 -0.074,595 0.112,596 0.061,597 -0.046,598 0.081,599 -0.008,600 -0.119,601 -0.147,602 -0.129,603 0.017,604 -0.181,605 0.105,606 0.129,607 -0.083,608 -0.021,609 0.101,610 -0.06,611 -0.064,612 -0.069,613 -0.104,614 -0.046,615 -0.044,616 -0.038,617 0.001,618 -0.013,619 0.048,620 -0.044,621 0.037,622 0.031,623 -0.072,624 0.078,625 0.167,626 0.102,627 -0.065,628 0.181,629 0.943,630 2.122,631 0.958,632 17.292,633 1.025,634 1.116,635 1.128,636 1.272,637 0.739,638 3.367,639 3.714,640 4.06,641 4.394,642 4.673,643 4.745,644 4.92,645 5.106,646 5.153,647 5.231,648 5.627,649 0.723,650 337.39,651 3.367,652 4.92,653 5.802,654 6.701,655 7.598,656 8.503,657 9.407,658 10.314,659 11.22,660 12.13,661 14.3,669 1,671 4,674 4,675 6,676 4,679 1,680 4,682 21,692 1,697 2,699 35,700 21,701 1,702 28,704 39,705 16,706 14,707 3,708 3,710 5,711 9,721 14,722 2,732 1,733 1,736 11,737 7,738 1,739 8,740 1,743 5,747 0.4,748 2,751 1,755 1,759 1,760 4,762 2,763 1,777 2,779 1,785 24,789 2,790 1,791 2,797 1,801 5.7,806 2,808 10.667,809 6.55,810 5.139,811 2.043,812 4.417,813 1.552,814 1.077,815 3.281,816 12.416,817 3.676,818 4.366,819 5.07,820 5.769,821 6.399,822 6.793,823 7.296,824 7.811,825 8.087,826 8.485,827 1,828 40,829 8.812,831 3.853,832 7.653,833 16.822,835 14.104,837 2.153,838 51.667,842 117.711,843 116.527,844 85.153,846 22,848 31.278,849 85.249,850 139.711,851 85.153,853 9.185,854 28.429,855 102.772,856 84.256,857 3.074,858 113.675,860 117.711,861 170.402,862 22,863 31.278,865 117.711,866 22,869 58.514,870 44.746,871 67.142,872 31.278,873 117.711,874 107.153,875 116.527,878 117.711,879 61.385,880 55.142,881 18.011,882 89.142,883 117.711,884 107.153,885 116.527,887 0.582,888 0.352,889 0.206,890 0.116,891 23,892 8,893 0.051,894 2,895 3,896 1.261,897 3.746,898 211.899,899 0.261,900 23,901 110.039,902 1,904 14.02,905 5.617,906 2.407,907 3.37,908 107.153,909 10.619,910 17.441,913 1.519,914 3.088,916 18.011,917 341.391,918 38.5,926 35.891,927 39.076,928 0.356,929 0.742,930 0.873,931 0.922,932 0.944,933 0.955,934 4.907,935 1.404,936 5.778,937 4.111,938 4.394,939 5.053,940 1.454,941 6.619,942 4.23,943 6.131,944 1.323,945 7.343,946 3.062,947 3.892,948 4.913,950 7.545,951 3.68,952 7.457,953 1.181,954 9.011,955 3.002,956 6.004,957 7.394,958 1.175,959 10.699,960 5.698,961 8.825,962 0.713,963 10.743,964 2.833,965 6.382,966 8.158,968 12.504,969 6.017,970 10.231,971 0.518,972 12.517,973 1.662,974 7.922,975 10.078,976 0.966,977 15.158,978 7.48,979 11.663,980 0.008,981 14.32,982 1.297,983 8.721,984 11.273,986 17.322,987 8.207,988 13.118,989 -0.453,990 16.143,991 0.021,992 10.025,993 12.968,994 0.788,995 19.814,996 9.44,997 3.26,998 -0.618,999 17.983,1000 -1.103,1001 11.022,1002 14.368,1004 22.128,1005 10.358,1006 2.927,1007 11.466,1008 19.834,1009 -1.596,1010 12.23,1011 15.977,1012 0.634,1013 24.571,1014 11.497,1015 2.591,1016 9.25,1017 21.696,1018 4.842,1019 13.318,1020 17.47,1022 26.95,1023 12.503,1024 2.199,1025 8.507,1026 23.565,1027 3.925,1028 14.492,1029 19.049,1030 0.504,1031 29.38,1032 13.605,1033 1.88,1034 6.697,1035 25.442,1036 3.642,1037 15.62,1038 20.585,1040 31.788,1041 14.652,1042 1.618,1043 5.785,1044 27.324,1045 2.921,1046 16.785,1047 22.156,1048 0.395,1049 34.218,1050 15.741,1051 1.573,1052 4.384,1053 29.211,1054 2.73,1055 17.933,1056 23.712,1058 36.64,1059 16.809,1060 6336,1061 11092,1062 19.879,1063 25.869,1064 42.526,1065 42.928,1066 42.854,1067 42.337,1068 42.389,1069 58.444,1070 4.24,1071 124.157,1072 38.817,1073 5.689,1074 5.295,1075 6.547,1076 5.327,1077 5.26,1078 7.842,1079 1.72,1080 18.836,1081 5.015,1083 1.519,1084 1.533,1085 1.531,1086 1.512,1087 1.514,1088 2.087,1089 0.151,1090 4.434,1091 1.386,1092 4.137,1093 4.159,1094 4.389,1095 4.103,1096 5.169,1097 4.065,1098 3.936,1099 3.951,1100 3.899,1101 3.832,1102 4.952,1103 3.841,1104 3.607,1105 3.666,1106 3.562,1107 3.407,1108 4.824,1109 3.438,1110 3.445,1111 3.497,1112 3.337,1113 3.246,1114 4.387,1115 3.254,1116 3.056,1117 3.102,1118 3.306,1119 2.981,1120 4.214,1121 2.936,1122 3.003,1123 3.065,1124 2.934,1125 2.815,1126 4.078,1127 2.824,1128 2.866,1129 2.911,1130 2.775,1131 2.703,1132 3.99,1133 2.702,1134 2.68,1135 2.741,1136 2.666,1137 2.545,1138 3.893,1139 2.537,1140 0.169,1141 0.118,1142 0.245,1143 0.15,1144 0.116,1145 4.744,1146 0.173,1147 3.295,1148 0.031,1149 6.86,1150 0.41,1151 4.186,1152 0.108,1153 3.26,1154 4.842,1155 0.86,1156 11.466,1157 3.015,1158 1.91,1159 1.889,1160 1.99,1161 2.052,1162 1.114,1163 2.032,1164 1.823,1165 1.79,1166 1.872,1167 1.98,1168 0.961,1169 1.954,1170 1.687,1171 1.669,1172 1.708,1173 1.83,1174 0.901,1175 1.821,1176 1.412,1177 1.36,1178 1.645,1179 1.633,1180 0.79,1181 1.646,1182 1.014,1183 0.985,1184 1.166,1185 1.202,1186 0.28,1187 1.198,1188 0.904,1189 0.863,1190 1.071,1191 1.066,1192 0.199,1193 1.085,1194 0.834,1195 0.784,1196 1.006,1197 1.003,1198 0.08,1199 1.013,1200 0.785,1201 0.73,1202 0.905,1203 0.949,1204 0.055,1205 0.993,1206 4.043,1208 5.38,1209 2.398,1210 6.93,1211 4.844,1212 8.576,1213 7.066,1214 10.269,1222 1.135,1223 3.326,1224 11.168,1231 25.304,1232 63.862,1233 133.26,1234 156.77,1235 165.525,1236 169.525,1237 171.525,1238 25.011,1239 7.999,1240 82.05,1241 110.29,1242 29,1243 12.646,1244 4.459,1245 3.524,1246 30.368,1247 81,1248 76,1249 0.184,1250 154.029,1251 247.29,1252 367.591,1253 35359,1255 15.933,1256 0.664,1257 0.55,1258 16.286,1259 13.208,1260 11.882,1261 0.424,1262 0.293,1263 7.316,1264 10.869,1265 7.16,1266 5.845,1267 12.29,1268 8.209,1269 10.682,1270 0.267,1271 0.155,1272 11.298,1273 6.195,1274 9.645,1275 0.169,1276 0.084,1277 10.504,1278 4.779,1279 8.64,1280 0.108,1281 0.046,1282 9.617,1283 3.644,1284 7.498,1285 0.071,1286 0.024,1287 8.447,1288 2.529,1289 0.284,1290 79.417,1291 0.224,1292 23.202,1293 0.514,1294 136,1295 437.245,1296 178.313,1297 436.035,1298 613.6,1299 414,1300 165,1301 451.765,1302 208.605,1303 467.497,1304 697.17,1305 442,1306 5} {0 CHEMBL2153549,1 1.942,2 8.636,3 3.771,4 14.222,5 85.9,6 12.973,7 0.84,8 3.559,9 3.641,10 3.633,11 3.263,12 4.845,13 3.245,14 4.007,15 4.111,16 4.101,17 3.65,18 5.324,19 3.618,20 4.165,21 4.299,22 4.186,23 3.673,24 5.514,25 3.634,26 4.071,27 4.213,28 4.053,29 3.545,30 5.424,31 3.494,32 3.961,33 4.132,34 3.755,35 3.39,36 5.294,37 3.344,38 3.857,39 3.986,40 3.763,41 3.379,42 5.188,43 3.333,44 3.831,45 3.997,46 3.694,47 3.238,48 5.182,49 3.173,50 3.56,51 3.749,52 3.884,53 3.053,54 4.956,55 2.937,56 0.119,57 0.542,58 1.448,59 1.905,60 6.282,61 1.566,62 0.236,63 0.882,64 2.825,65 3.3,66 14.689,67 2.485,68 0.39,69 1.083,70 16.838,71 5.082,72 29.271,73 3.733,74 0.392,75 0.951,76 16.861,77 5.315,78 32.112,79 3.896,80 0.357,81 0.856,82 9.82,83 4.302,84 31.756,85 3.677,86 0.234,87 0.786,88 10.157,89 3.818,90 15.851,91 2.59,92 0.312,93 0.747,94 8.313,95 3.958,96 27.263,97 3.128,98 0.267,99 0.54,100 15.779,101 3.508,102 24.954,103 2.934,104 5,105 36,106 0.359,107 0.692,108 0.842,109 0.885,110 0.898,111 0.898,112 3.148,113 0.947,114 -3.89,115 -3.85,116 -3.65,117 1,119 48.3,133 3,135 3,136 2,137 2,138 1,139 1,143 1,150 1,159 1,161 1,162 1,164 1,166 1,168 3,171 2,172 3,176 3,178 2,181 1,182 1,185 1,193 2,194 2,197 2,199 1,202 1,206 1,213 2,217 5,229 4,237 1,242 1,255 594,256 15.085,257 15.085,258 15.085,259 15.085,260 15.085,261 12.574,262 11.087,263 8.822,264 15.765,265 12.364,266 12.364,267 12.364,268 12.364,269 12.364,270 8.654,271 16.722,272 4.202,273 13.604,274 2.916,275 1.113,276 0.302,277 0.069,280 3.849,284 1,285 424,286 2.236,288 30.11,289 145.644,291 123.093,295 1.215,296 24.066,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47.75,307 190,308 4.745,309 3.309,310 6.861,311 4.188,312 3.261,313 4.842,314 0.4,315 11.469,316 3.016,317 4.248,318 3.189,319 6.135,320 3.811,321 2.872,322 3.899,324 8.993,325 2.68,326 3.963,327 2.733,328 5.914,329 3.442,330 2.518,331 3.623,333 8.155,334 2.315,335 3.479,336 2.562,337 5.172,338 2.974,339 2.108,340 2.852,342 6.045,343 1.777,344 3.357,345 2.022,346 4.95,347 2.793,348 1.899,349 2.718,351 5.685,352 1.62,353 3.064,354 1.785,355 4.503,356 2.471,357 1.591,358 2.332,360 4.283,361 1.383,362 2.842,363 1.564,364 4.111,365 2.374,366 1.43,367 1.99,369 3.585,370 1.337,371 2.818,372 1.325,373 3.812,374 2.234,375 1.322,376 1.964,378 3.057,379 1.198,380 2.65,381 1.209,382 3.601,383 2.104,384 1.176,385 1.72,386 2.834,387 1.081,388 2,389 0.76,390 3.216,391 1.448,392 0.581,393 0.799,394 1.443,395 0.488,396 1.578,397 0.465,398 2.923,399 1.115,400 0.255,401 0.33,402 0.615,403 0.202,404 1.066,405 0.229,406 2.416,407 0.571,408 -0.315,409 -0.415,411 -0.778,412 -0.238,413 0.799,414 -0.103,415 2.359,416 0.316,417 -0.515,418 -0.621,420 -1.242,421 -0.338,422 0.797,423 -0.662,424 2.325,425 0.209,426 -0.701,427 -1.051,429 -1.78,430 -0.622,431 0.618,432 -0.701,433 2.136,434 0.055,435 -0.818,436 -1.129,438 -2.131,439 -0.691,440 11.452,441 0.521,442 0.538,443 0.024,444 33.75,445 1.534,446 18.5,447 0.841,448 15.25,449 0.693,450 15.574,451 0.708,452 20.948,453 0.722,454 19.96,455 0.907,456 6.268,457 0.285,458 4.452,459 0.202,460 0.141,462 0.349,464 1,466 0.71,467 0.992,468 0.474,469 0.652,470 0.562,471 0.639,472 0.797,473 0.957,474 0.606,475 0.739,476 0.672,477 0.726,478 1.012,479 1.117,480 1.068,481 1.099,482 1.013,483 0.979,484 1.218,485 1.177,486 0.92,487 1.158,488 1.291,489 1.09,490 0.795,491 0.762,492 0.47,493 0.853,494 0.86,495 0.935,496 1.126,497 1.217,498 0.835,499 1.122,500 1.076,501 1.091,502 1.199,503 1.099,504 0.794,505 1.078,506 1.312,507 1.182,508 0.725,509 0.63,510 0.971,511 0.569,512 0.698,513 0.771,514 4,515 0.038,516 2.667,517 1.764,518 1.244,519 0.441,520 0.394,521 0.373,522 0.121,523 0.126,524 5001,525 19211,526 2.176,527 24.1,529 3,531 3,532 1,536 1.647,537 2.063,538 3.107,539 -0.175,541 1,545 56.317,546 1.942,547 3.745,548 4.556,549 4.789,550 4.858,551 4.858,552 2.487,553 4.278,554 4.434,555 3.21,556 741.416,557 7.623,558 7881.89,559 1,560 1,561 1,562 1,563 140.881,564 1.322,565 4.403,566 0.16,567 0.009,568 0.074,569 0.049,570 0.041,571 0.017,572 0.016,573 0.019,574 0.008,575 0.011,576 0.404,577 0.5,578 1,579 0.517,580 99.56,581 -0.114,582 -0.136,583 -0.008,584 0.009,585 -0.069,586 0.014,587 -0.085,588 -0.045,589 -0.01,590 0.033,591 -0.051,592 -0.005,593 -0.032,594 -0.112,595 -0.115,596 -0.134,597 -0.06,598 -0.095,599 -0.096,600 -0.102,601 -0.068,602 -0.159,603 -0.087,604 -0.141,605 0.145,606 0.215,607 0.017,608 0.03,609 0.07,610 0.045,611 -0.194,612 -0.228,613 -0.113,614 -0.207,615 -0.126,616 -0.21,617 -0.061,618 -0.054,619 -0.022,620 -0.106,621 -0.065,622 -0.143,623 0.275,624 0.271,625 0.293,626 0.485,627 0.279,628 0.396,629 2.029,630 5.983,631 0.864,632 15,633 1.038,634 1.118,635 2.659,636 7.07,637 0.81,638 3.258,639 3.611,640 3.932,641 4.248,642 4.511,643 4.585,644 4.727,645 4.905,646 4.905,647 4.956,648 5.122,649 0.785,650 376.23,651 3.258,652 4.812,653 5.687,654 6.586,655 7.48,656 8.386,657 9.288,658 10.197,659 11.103,660 12.014,661 17.2,669 1,671 4,674 4,675 6,676 4,679 1,680 4,682 21,692 1,698 2,699 29,700 21,701 1,702 25,703 1,704 32,705 14,706 14,707 3,708 3,710 4,711 7,721 14,733 1,734 1,736 7,737 6,738 1,739 8,740 2,743 5,747 0.5,751 1,755 1,759 1,760 3,762 2,777 2,779 1,780 1,783 1,785 22,790 1,797 1,800 2,808 10.667,809 5.502,810 4.722,811 1.614,812 4.338,813 1.585,814 1.079,815 3.379,816 11.75,817 3.597,818 4.314,819 5.012,820 5.71,821 6.341,822 6.731,823 7.226,824 7.752,825 8.018,826 8.402,827 0.833,828 36,829 8.086,831 3.547,832 7.883,833 15.076,835 12.478,837 2.383,838 52.417,842 70.627,843 109.032,844 131.107,847 14.96,848 31.278,849 123.708,850 70.627,851 100.113,854 28.429,855 102.772,856 63.945,857 18.034,858 66.591,859 45.954,860 70.627,861 162.907,862 14.96,863 31.278,864 45.954,865 85.587,869 49.329,870 46.435,871 67.142,872 77.232,873 85.587,874 85.153,875 154.986,878 70.627,879 53.89,880 55.142,881 63.965,882 82.102,883 70.627,884 100.113,885 154.986,887 0.587,888 0.35,889 0.199,890 0.112,891 20,892 8,893 0.063,894 2,895 2,896 1.211,897 3.446,898 183.729,899 0.211,900 19,901 98.107,902 1,904 13.77,905 5.398,906 2.431,907 3.01,908 100.113,909 9.497,910 17.051,913 1.424,914 1.203,916 18.011,917 325.725,918 35.5,926 30.094,927 32.423,928 0.4,929 0.771,930 0.938,931 0.986,932 1,933 1,934 4.822,935 1.322,936 5.68,937 3.585,938 4.29,939 5.001,940 0.278,941 6.526,942 4.104,943 6.07,944 1.176,945 7.256,946 3.057,947 3.892,948 4.913,950 7.476,951 3.585,952 7.405,953 0.581,954 8.934,955 2.834,956 5.911,957 7.367,958 0.05,959 10.619,960 5.576,961 8.781,962 0.255,963 10.672,964 1.443,965 6.347,966 8.145,968 12.43,969 5.908,970 10.19,971 -0.315,972 12.45,973 0.615,974 7.84,975 10.059,976 0.008,977 15.089,978 7.366,979 11.626,980 -0.515,981 14.255,982 -0.778,983 8.67,984 11.259,986 17.259,987 8.1,988 13.082,989 -0.701,990 16.08,991 -1.242,992 9.952,993 12.955,994 0.001,995 19.759,996 9.334,997 3.261,998 -0.818,999 17.922,1000 -1.78,1001 10.965,1002 14.356,1004 22.08,1005 10.257,1006 2.872,1007 11.469,1008 19.775,1009 -2.131,1010 12.166,1011 15.966,1013 24.53,1014 11.398,1015 2.518,1016 8.993,1017 21.639,1018 4.842,1019 13.262,1020 17.461,1022 26.915,1023 12.408,1024 2.108,1025 8.155,1026 23.511,1027 3.899,1028 14.435,1029 19.042,1031 29.351,1032 13.514,1033 1.899,1034 6.045,1035 25.39,1036 3.623,1037 15.569,1038 20.579,1040 31.764,1041 14.564,1042 1.591,1043 5.685,1044 27.275,1045 2.852,1046 16.735,1047 22.151,1049 34.198,1050 15.657,1051 1.43,1052 4.283,1053 29.164,1054 2.718,1055 17.888,1056 23.707,1058 36.625,1059 16.729,1060 4704,1061 9346,1062 17.107,1063 23.489,1064 38.246,1065 38.667,1066 39.034,1067 38.191,1068 38.025,1069 54.14,1070 0.8,1071 112.326,1072 34.194,1073 5.515,1074 5.309,1075 6.542,1076 5.319,1077 5.261,1078 7.842,1079 0.8,1080 18.845,1081 5.016,1082 8.228,1083 1.53,1084 1.547,1085 1.561,1086 1.528,1087 1.521,1088 2.166,1089 0.032,1090 4.493,1091 1.368,1092 4.136,1093 4.158,1094 6.88,1095 4.103,1096 8.201,1097 4.065,1098 3.899,1099 3.924,1100 4.389,1101 3.849,1102 5.166,1103 3.834,1104 3.591,1105 3.651,1106 3.793,1107 3.404,1108 4.837,1109 3.432,1110 3.083,1111 3.139,1112 3.536,1113 3.003,1114 4.647,1115 2.962,1116 3.033,1117 3.077,1118 3.322,1119 2.932,1120 4.134,1121 2.892,1122 2.898,1123 2.957,1124 2.923,1125 2.733,1126 4.007,1127 2.734,1128 2.724,1129 2.771,1130 2.809,1131 2.633,1132 3.97,1133 2.609,1134 2.558,1135 2.628,1136 2.663,1137 2.358,1138 3.661,1139 2.365,1140 0.19,1141 0.132,1142 0.274,1143 0.168,1144 0.13,1145 4.745,1146 0.194,1147 3.309,1148 0.016,1149 6.861,1150 0.459,1151 4.188,1152 0.121,1153 3.261,1154 4.842,1155 0.4,1156 11.469,1157 3.016,1158 1.898,1159 1.873,1160 1.943,1161 2.031,1162 1.069,1163 2.008,1164 1.817,1165 1.784,1166 1.862,1167 1.945,1168 0.932,1169 1.934,1170 1.682,1171 1.664,1172 1.67,1173 1.803,1174 0.794,1175 1.801,1176 1.028,1177 0.992,1178 1.135,1179 1.219,1180 0.282,1181 1.214,1182 0.918,1183 0.896,1184 1.105,1185 1.068,1186 0.187,1187 1.079,1188 0.858,1189 0.804,1190 1.015,1191 1.007,1192 0.113,1193 1.037,1194 0.825,1195 0.769,1196 0.847,1197 0.967,1198 0.025,1199 1.011,1200 0.473,1201 0.416,1202 0.65,1203 0.705,1205 0.701,1206 3.932,1208 5.273,1209 2.398,1210 6.819,1211 4.844,1212 8.459,1213 7.066,1214 10.145,1215 3.237,1218 13.983,1223 3.011,1231 22.756,1232 56.317,1233 108.617,1234 132.127,1235 138.881,1236 140.881,1237 140.881,1238 29.897,1239 7.412,1240 63.59,1241 91.83,1242 23,1243 12.53,1244 4.459,1245 3.524,1246 29.854,1247 67,1248 70,1249 0.222,1250 147.357,1251 232.82,1252 351.312,1253 16131,1254 6.9,1255 15.104,1256 0.687,1257 0.605,1258 15.587,1259 13.32,1260 10.72,1261 0.429,1262 0.316,1263 6.298,1264 9.287,1265 6.093,1266 4.991,1267 11.295,1268 7.894,1269 9.854,1270 0.274,1271 0.177,1272 10.757,1273 6.376,1274 8.575,1275 0.172,1276 0.093,1277 9.568,1278 4.652,1279 7.494,1280 0.109,1281 0.05,1282 8.33,1283 3.438,1284 6.291,1285 0.07,1286 0.026,1287 7.573,1288 2.365,1289 0.338,1290 79.867,1291 0.242,1292 21.324,1293 0.636,1294 122,1295 440.539,1296 226.929,1297 462.755,1298 622.4,1299 432,1300 147,1301 419.922,1302 215.095,1303 448.129,1304 663.41,1305 422,1306 5} {0 CHEMBL2153550,1 1.951,2 8.875,3 2.444,4 5.975,5 87.08,6 10.636,7 0.778,8 3.672,9 3.753,10 3.565,11 3.254,12 5.053,13 3.276,14 4.095,15 4.188,16 3.978,17 3.639,18 5.595,19 3.651,20 4.263,21 4.388,22 4.07,23 3.671,24 5.65,25 3.691,26 4.282,27 4.415,28 3.911,29 3.607,30 5.836,31 3.601,32 4.177,33 4.345,34 3.707,35 3.474,36 5.584,37 3.452,38 4.012,39 4.146,40 3.58,41 3.402,42 5.34,43 3.379,44 3.962,45 4.123,46 3.547,47 3.276,48 5.37,49 3.263,50 3.819,51 3.957,52 3.595,53 3.057,54 5.329,55 3.134,56 0.237,57 0.568,58 2.341,59 2.368,60 16.879,61 1.693,62 0.374,63 0.883,64 4.199,65 3.785,66 49.456,67 2.692,68 0.453,69 1.023,70 7.757,71 4.441,72 38.952,73 3.36,74 0.654,75 0.941,76 11.25,77 5.562,78 90.09,79 4.43,80 0.561,81 0.855,82 11.734,83 4.896,84 57.336,85 4.167,86 0.416,87 0.738,88 8.103,89 4.124,90 51.654,91 2.767,92 0.388,93 0.686,94 8.14,95 3.757,96 39.069,97 3.424,98 0.329,99 0.569,100 7.776,101 3.239,102 35.561,103 2.194,104 11,105 39,106 0.35,107 0.694,108 0.837,109 0.875,110 0.886,111 0.886,112 3.229,113 0.837,114 -2.46,115 -2.49,116 -2.44,119 43.8,133 3,135 3,136 2,137 2,138 1,139 1,143 1,150 1,155 2,159 1,161 2,162 2,164 1,166 3,168 1,171 2,172 6,174 1,176 4,178 1,181 1,182 5,185 4,193 2,194 3,197 4,198 1,202 2,205 1,206 2,213 1,216 2,217 6,220 1,228 1,229 4,234 1,241 4,245 1,255 754,256 16.292,257 16.292,258 16.292,259 16.292,260 16.292,261 13.529,262 14.828,263 9.479,264 16.846,265 13.338,266 13.338,267 13.338,268 13.338,269 13.338,270 9.231,271 24.667,272 4.484,273 14.295,274 3.049,275 1.133,276 0.336,277 0.125,278 0.063,279 0.063,280 3.928,283 1,284 1,285 468,286 2.828,288 34.87,289 167.102,291 141.844,295 1.313,296 33.755,298 1,299 1,300 0.83,301 1,302 0.4,304 0.83,305 0.72,306 54,307 213,308 4.745,309 3.807,310 6.86,311 4.187,312 3.26,313 4.842,314 2.612,315 11.466,316 3.016,317 4.407,318 3.281,319 6.368,320 3.941,321 2.977,322 4.136,323 0.4,324 9.573,325 2.864,326 4.012,327 2.846,328 6.007,329 3.53,330 2.598,331 3.656,333 8.52,334 2.416,335 3.691,336 2.631,337 5.327,338 3.168,339 2.214,340 3.169,342 6.687,343 2.108,344 3.415,345 2.26,346 5.079,347 2.837,348 1.905,349 2.814,351 5.778,352 1.778,353 3.297,354 1.899,355 4.695,356 2.751,357 1.824,358 2.598,360 4.746,361 1.676,362 3.052,363 1.583,364 4.44,365 2.457,366 1.567,367 2.318,369 4.119,370 1.378,371 2.822,372 1.362,373 3.812,374 2.234,375 1.323,376 1.983,378 3.059,379 1.198,380 2.656,381 1.325,382 3.61,383 2.109,384 1.184,385 1.728,386 2.84,387 1.088,388 2.607,389 1.212,390 3.6,391 2,392 1,393 1.596,394 2.424,395 1,396 1.989,397 1,398 3.208,399 1.421,400 0.553,401 0.774,402 1.39,403 0.473,404 1.49,405 0.668,406 2.9,407 1.069,408 0.165,409 0.212,411 0.401,412 0.148,413 1.092,414 0.42,415 2.415,416 0.633,417 -0.277,418 -0.361,420 -0.678,421 -0.249,422 1,423 -0.051,424 2.324,425 0.227,426 -0.7,427 -1.003,429 -1.78,430 -0.621,431 0.799,432 -0.564,433 2.301,434 0.196,435 -0.732,436 -1.051,438 -2,439 -0.674,440 11.233,441 0.468,442 0.627,443 0.026,444 39,445 1.625,446 22,447 0.917,448 17,449 0.708,450 14.004,451 0.583,452 24.167,453 0.755,454 26.732,455 1.114,456 7.53,457 0.314,458 4.101,459 0.171,460 0.089,462 0.392,466 0.689,467 1.117,468 0.639,469 0.724,470 0.659,471 0.673,472 0.673,473 1.106,474 0.759,475 0.898,476 0.487,477 0.806,478 0.852,479 1.262,480 0.861,481 1.113,482 0.71,483 0.967,484 0.957,485 1.015,486 1.169,487 1.071,488 0.872,489 1.078,490 0.892,491 0.712,492 1.205,493 0.892,494 0.962,495 1.004,496 1.212,497 1.033,498 1.411,499 1.086,500 1.155,501 1.157,502 0.725,503 1.066,504 1.022,505 1.087,506 0.645,507 1.123,508 1.222,509 1.092,510 0.787,511 1.21,512 1.246,513 0.854,514 4.5,515 0.084,516 2.889,517 2.139,518 1.324,519 0.511,520 0.494,521 0.327,522 0.219,523 0.252,524 6295,525 24655,526 2.135,527 25,529 3,531 3,532 2,536 1.67,537 2,538 3.175,539 0.461,541 1,543 1,545 62.432,546 1.951,547 3.867,548 4.664,549 4.875,550 4.938,551 4.938,552 2.519,553 4.252,554 4.561,555 3.318,556 915.648,557 7.874,558 10527.2,559 1,560 1,562 1,563 160,564 1.406,565 4.518,566 0.167,567 0.008,568 0.074,569 0.053,570 0.038,571 0.018,572 0.019,573 0.014,574 0.01,575 0.015,576 0.415,577 0.5,578 1,579 0.757,580 112.711,581 0.004,582 -0.058,583 0.007,584 0.127,585 -0.089,586 0.063,587 0.03,588 -0.042,589 0.024,590 0.026,591 0.136,592 -0.018,593 -0.063,594 -0.224,595 0.083,596 -0.143,597 -0.047,598 -0.075,599 0.04,600 -0.06,601 -0.106,602 -0.031,603 0.132,604 -0.072,605 0.025,606 0.267,607 -0.125,608 0.119,609 -0.047,610 0.055,611 -0.341,612 -0.045,613 -0.395,614 -0.059,615 -0.288,616 -0.186,617 0.106,618 -0.107,619 0.013,620 -0.099,621 0.106,622 -0.061,623 -0.14,624 -0.123,625 0.294,626 -0.195,627 -0.122,628 0.129,629 2.649,630 3.934,631 0.792,632 17.319,633 1.049,634 1.124,635 1.233,636 1.52,637 0.744,638 3.332,639 3.689,640 4.007,641 4.317,642 4.564,643 4.635,644 4.812,645 4.97,646 4.977,647 5.088,648 5.554,649 0.75,650 340.35,651 3.332,652 4.89,653 5.765,654 6.666,655 7.56,656 8.465,657 9.366,658 10.273,659 11.179,660 12.088,661 18.8,669 1,671 4,672 1,674 4,675 6,676 4,679 1,680 4,682 21,692 1,694 1,696 1,699 32,700 23,701 1,702 27,704 35,705 14,706 14,707 3,708 3,710 4,711 7,721 14,724 2,726 1,728 2,732 1,733 1,736 8,737 8,738 2,739 10,740 1,743 6,747 0.5,748 3,751 1,755 1,759 1,760 3,762 2,777 2,779 1,785 24,788 1,790 1,797 1,801 9.4,803 1,807 2,808 12,809 5.95,810 5.167,811 1.71,812 4.525,813 1.596,814 1.01,815 3.524,816 12.113,817 3.701,818 4.416,819 5.089,820 5.782,821 6.399,822 6.785,823 7.301,824 7.796,825 8.07,826 8.497,827 0.833,828 40,829 8.8,831 3.91,832 8.153,833 15.991,835 13.135,837 2.653,838 63.667,842 70.627,843 99.612,844 90.823,846 93.43,848 31.278,849 68.335,850 164.057,851 90.823,852 5.67,854 28.429,855 145.456,856 54.526,857 3.074,858 66.591,859 50.747,860 70.627,861 159.158,862 93.43,863 31.278,865 70.627,866 42.683,867 50.747,869 49.329,870 37.016,871 72.812,872 31.278,873 70.627,874 184.253,875 99.612,878 70.627,879 44.47,880 60.812,881 18.011,882 160.572,883 70.627,884 184.253,885 99.612,887 0.589,888 0.353,889 0.199,890 0.108,891 21,892 9,893 0.086,894 3,895 2,896 1.211,897 3.588,898 205.712,899 0.211,900 19,901 108.039,902 1,904 14.815,905 5.709,906 2.574,907 2.815,908 178.583,909 8.606,910 16.962,913 1.377,914 0.14,916 60.694,917 354.492,918 39.5,920 -0.649,922 21.868,926 33.553,927 35.953,928 0.39,929 0.773,930 0.933,931 0.975,932 0.988,933 0.988,934 4.929,935 1.323,936 5.765,937 4.119,938 4.369,939 5.103,940 2.527,941 6.619,942 4.234,943 6.184,944 1.184,945 7.349,946 3.059,947 4.007,948 5.075,949 2.361,950 7.594,951 3.821,952 7.525,953 1,954 9.035,955 2.84,956 5.999,957 7.472,958 4.155,959 10.728,960 5.74,961 8.907,962 0.553,963 10.78,964 2.424,965 6.463,966 8.288,967 4.506,968 12.548,969 6.143,970 10.321,971 0.165,972 12.564,973 1.39,974 7.938,975 10.164,976 5.948,977 15.199,978 7.558,979 11.759,980 -0.277,981 14.375,982 0.401,983 8.783,984 11.379,985 6.556,986 17.366,987 8.332,988 13.217,989 -0.7,990 16.205,991 -0.678,992 10.057,993 13.053,994 7.794,995 19.857,996 9.545,997 3.26,998 -0.732,999 18.049,1000 -1.78,1001 11.076,1002 14.456,1003 8.548,1004 22.171,1005 10.489,1006 2.977,1007 11.466,1008 19.905,1009 -2,1010 12.271,1011 16.053,1012 9.67,1013 24.611,1014 11.621,1015 2.598,1016 9.573,1017 21.77,1018 4.842,1019 13.368,1020 17.544,1021 10.509,1022 26.987,1023 12.642,1024 2.214,1025 8.52,1026 23.643,1027 4.136,1028 14.537,1029 19.115,1030 11.563,1031 29.415,1032 13.743,1033 1.905,1034 6.687,1035 25.521,1036 3.656,1037 15.67,1038 20.646,1039 12.452,1040 31.82,1041 14.799,1042 1.824,1043 5.778,1044 27.405,1045 3.169,1046 16.832,1047 22.211,1048 13.468,1049 34.246,1050 15.89,1051 1.567,1052 4.746,1053 29.293,1054 2.814,1055 17.981,1056 23.762,1057 14.386,1058 36.665,1059 16.962,1060 5976,1061 11964,1062 18.205,1063 23.807,1064 41.253,1065 42.752,1066 42.48,1067 41.098,1068 41.139,1069 59.649,1070 6.025,1071 122.008,1072 38.286,1073 5.514,1074 5.807,1075 6.541,1076 5.318,1077 5.26,1078 7.842,1079 4.612,1080 18.836,1081 5.016,1082 10.776,1083 1.528,1084 1.583,1085 1.573,1086 1.522,1087 1.524,1088 2.209,1089 0.223,1090 4.519,1091 1.418,1092 4.139,1093 4.161,1094 4.389,1095 4.103,1096 7.815,1097 4.066,1098 3.976,1099 3.997,1100 3.958,1101 3.842,1102 6.999,1103 3.856,1104 3.613,1105 3.672,1106 3.578,1107 3.404,1108 6.468,1109 3.436,1110 3.472,1111 3.5,1112 3.442,1113 3.054,1114 5.166,1115 3.146,1116 3.081,1117 3.131,1118 3.321,1119 2.975,1120 4.838,1121 2.938,1122 3.035,1123 3.077,1124 3.002,1125 2.835,1126 4.59,1127 2.853,1128 2.756,1129 2.803,1130 2.755,1131 2.6,1132 4.093,1133 2.599,1134 2.657,1135 2.707,1136 2.515,1137 2.362,1138 3.992,1139 2.413,1140 0.176,1141 0.141,1142 0.254,1143 0.155,1144 0.121,1145 4.745,1146 0.179,1147 3.807,1148 0.097,1149 6.86,1150 0.425,1151 4.187,1152 0.112,1153 3.26,1154 4.842,1155 2.612,1156 11.466,1157 3.016,1158 1.92,1159 1.896,1160 1.989,1161 2.094,1162 1.083,1163 2.052,1164 1.825,1165 1.791,1166 1.87,1167 1.995,1168 0.933,1169 1.958,1170 1.686,1171 1.668,1172 1.675,1173 1.838,1174 0.793,1175 1.82,1176 1.202,1177 1.171,1178 1.282,1179 1.647,1180 0.28,1181 1.548,1182 1.017,1183 0.986,1184 1.172,1185 1.257,1186 0.213,1187 1.229,1188 0.919,1189 0.889,1190 1.029,1191 1.027,1192 0.135,1193 1.068,1194 0.827,1195 0.771,1196 0.918,1197 0.994,1198 0.025,1199 1.012,1200 0.556,1201 0.507,1202 0.77,1203 0.893,1205 0.887,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1221 9.529,1223 3.019,1231 23.987,1232 62.432,1233 123.735,1234 149.245,1235 156,1236 158,1237 158,1238 39.87,1239 7.588,1240 129.64,1241 157.88,1242 23,1243 12.604,1244 4.585,1245 3.755,1246 33.833,1247 80,1248 66,1249 0.21,1250 150.101,1251 242.2,1252 358.007,1253 20179,1255 16.681,1256 0.695,1257 0.529,1258 17.035,1259 12.689,1260 11.631,1261 0.431,1262 0.279,1263 6.651,1264 10.566,1265 6.51,1266 5.357,1267 12.039,1268 7.536,1269 10.763,1270 0.276,1271 0.149,1272 11.378,1273 5.797,1274 9.22,1275 0.171,1276 0.082,1277 10.079,1278 4.409,1279 8.046,1280 0.109,1281 0.044,1282 9.023,1283 3.271,1284 6.703,1285 0.071,1286 0.023,1287 7.652,1288 2.218,1289 0.323,1290 78.569,1291 0.234,1292 23.074,1293 0.592,1294 132,1295 491.04,1296 175.507,1297 493.039,1298 665.92,1299 456,1300 159,1301 483.251,1302 203.109,1303 497.216,1304 728.81,1305 466,1306 5} {0 CHEMBL230806,1 1.815,2 6.353,3 2.638,4 6.961,5 71.413,6 14.876,7 0.789,8 3.367,9 3.483,10 3.51,11 3.005,12 4.591,13 2.995,14 3.803,15 3.926,16 4.034,17 3.41,18 5.055,19 3.378,20 3.946,21 4.105,22 4.585,23 3.5,24 5.153,25 3.39,26 3.83,27 4.015,28 3.644,29 3.255,30 4.969,31 3.187,32 3.728,33 3.901,34 3.878,35 3.175,36 4.973,37 3.11,38 3.682,39 3.885,40 3.984,41 3.143,42 4.806,43 2.985,44 3.342,45 3.562,46 3.861,47 2.82,48 4.424,49 2.572,50 2.737,51 2.967,52 2.951,53 2.068,54 3.799,55 1.73,56 0.106,57 0.416,58 4.354,59 1.545,60 7.63,61 1.083,62 0.18,63 0.637,64 9.527,65 2.761,66 11.106,67 2.586,68 0.292,69 0.674,70 51.596,71 4.782,72 18.044,73 3.159,74 0.223,75 0.609,76 24.637,77 3.85,78 14.354,79 3.607,80 0.221,81 0.55,82 8.976,83 2.867,84 15.699,85 2.289,86 0.23,87 0.462,88 15.453,89 3.593,90 15.384,91 3.164,92 0.196,93 0.274,94 28.468,95 3.787,96 14.555,97 3.228,98 0.129,99 0.119,100 32.218,101 2.944,102 10.61,103 2.51,104 10,105 28,106 0.358,107 0.734,108 0.856,109 0.889,110 0.889,111 0.889,112 2.911,113 1.008,114 -2.95,115 -2.95,116 -2.85,117 1,118 1,119 41.7,133 2,135 1,136 1,137 2,143 2,144 1,151 1,152 1,153 1,154 1,162 1,163 1,164 2,165 1,166 3,167 1,168 1,171 1,172 2,174 1,176 1,178 2,182 1,185 2,187 1,192 1,194 2,196 1,197 1,198 1,199 2,202 1,206 2,210 1,211 1,212 1,215 1,222 2,224 2,234 2,239 2,255 290,256 11.309,257 11.309,258 11.309,259 11.309,260 11.309,261 9.491,262 5.388,263 6.47,264 11.874,265 9.377,266 9.377,267 9.377,268 9.377,269 9.377,270 6.658,271 3.456,272 3.081,273 10.484,274 2.77,275 0.865,276 0.25,277 0.083,278 0.083,279 0.083,280 3.58,284 1,285 233,286 1.871,288 68.525,289 38.512,291 58.003,295 0.962,296 13.396,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 36,307 108,308 4.625,309 3.352,310 6.727,311 4.145,312 3.192,313 4.566,315 10.991,316 3.045,317 4.256,318 3.105,319 6.066,320 3.724,321 2.839,322 3.958,324 8.768,325 2.509,326 3.689,327 2.482,328 5.619,329 3.213,330 2.328,331 3.108,333 7.215,334 1.955,335 3.295,336 2.058,337 4.81,338 2.821,339 1.888,340 2.616,342 5.251,343 1.729,344 2.89,345 1.991,346 4.55,347 2.363,348 1.422,349 2.066,351 4.245,352 1.318,353 2.782,354 1.467,355 4,356 2.226,357 1.313,358 1.909,360 3.27,361 1.151,362 2.601,363 1.363,364 3.953,365 2.016,366 1.247,367 1.635,369 3.198,370 0.84,371 1.943,372 0.487,373 3.258,374 1.38,375 0.46,376 0.677,378 1.266,379 0.417,380 0.984,381 0.136,382 2.544,383 0.522,384 -0.409,385 -0.528,386 -1.017,387 -0.202,388 0.773,389 -0.229,390 2.275,391 0.138,392 -0.445,393 -0.539,394 -1.056,395 -0.35,396 0.5,397 -0.419,398 2,399 0.106,400 -0.809,401 -0.964,402 -2.002,403 -0.53,404 0.434,405 -0.754,406 2,407 -0.049,408 -1,409 -1.392,411 -2.756,412 -0.799,413 0.168,414 -1,415 1.823,416 -0.349,417 -1.131,418 -1.5,420 -2.908,421 -0.946,422 -0.207,423 -1.42,424 1.504,425 -0.797,426 -1.512,427 -1.984,429 -4.952,430 -1.362,431 -0.33,432 -1.711,433 1.179,434 -0.825,435 -1.746,436 -2.529,438 -5.099,439 -1.577,440 9.667,441 0.569,442 0.524,443 0.031,444 24.25,445 1.426,446 12.5,447 0.735,448 11.75,449 0.691,450 13.62,451 0.801,452 16.133,453 0.672,454 11.674,455 0.687,456 4.352,457 0.256,458 3.796,459 0.223,460 0.317,462 0.362,466 1.154,467 1.156,468 0.46,469 0.468,470 1.254,471 0.51,472 0.641,473 1.106,474 0.559,475 0.678,476 0.516,477 0.719,478 1.155,479 0.95,480 0.826,481 0.842,482 1.097,483 0.923,484 0.927,485 1.095,486 0.645,487 0.833,488 0.849,489 0.967,490 0.91,491 1.091,492 0.624,493 0.814,494 1.072,495 0.964,496 0.94,497 0.833,498 0.936,499 0.886,500 0.951,501 1.01,502 1.141,503 0.792,504 1.833,505 1.391,506 1.376,507 1.136,508 0.979,509 0.907,510 2.83,511 2.634,512 0.935,513 1.992,514 4,516 2.222,517 1.674,518 0.778,519 0.661,520 0.261,521 0.241,524 2197,525 8944,526 2.091,527 29.2,529 2,531 1,532 4,536 1.574,537 1.925,538 2.734,539 2.236,543 1,545 43.559,546 1.815,547 3.72,548 4.335,549 4.502,550 4.502,551 4.502,552 2.162,553 3.337,554 4.063,555 2.796,556 380.23,557 6.889,558 3341.29,559 1,560 1,562 1,563 110.039,564 1.496,565 4.004,566 0.211,568 0.079,569 0.067,570 0.037,571 0.035,572 0.019,573 0.03,576 0.477,577 0.33,578 1,579 0.682,580 68.459,581 -0.367,582 -0.048,583 -0.011,584 0.108,585 -0.427,586 0.117,587 0.164,588 -0.049,589 0.008,590 -0.017,591 0.194,592 -0.01,593 -0.169,594 0.065,595 0.135,596 0.085,597 -0.195,598 -0.051,599 -0.044,600 -0.124,601 -0.045,602 -0.067,603 0.011,604 -0.061,605 0.036,606 -0.067,607 0.021,608 -0.051,609 -0.046,610 -0.129,611 0.04,612 0.073,613 0.034,614 0.133,615 0.031,616 0.066,617 0.019,618 -0.02,619 -0.114,620 0.109,621 -0.07,622 0.239,623 0.264,624 -0.313,625 -0.484,626 -0.74,627 0.51,628 -0.328,629 1.279,630 1.649,631 0.824,632 8.526,633 1.031,634 1.125,635 1.717,636 2.947,637 0.802,638 2.996,639 3.367,640 3.664,641 3.97,642 4.127,643 4.174,644 4.263,645 4.304,646 4.174,647 3.97,648 4.014,649 0.759,650 357.02,651 2.996,652 4.554,653 5.425,654 6.33,655 7.222,656 8.129,657 9.027,658 9.934,659 10.836,660 11.742,661 20.8,665 1,669 2,671 2,674 2,675 3,676 2,677 2,680 5,682 15,691 1,698 2,699 24,700 15,702 19,703 2,704 26,705 10,706 10,710 3,711 4,721 10,733 1,736 7,737 3,738 4,739 7,740 2,742 1,743 5,747 0.667,754 1,756 1,759 2,760 1,762 1,777 2,780 2,785 17,786 1,800 2,808 8.833,809 4.269,810 3.611,811 1.233,812 2.936,813 1.456,814 1.086,815 2.727,816 9.37,817 3.314,818 4.034,819 4.705,820 5.385,821 5.854,822 6.231,823 6.69,824 7.093,825 7.223,826 7.424,827 1,828 25,829 6.193,831 2.647,832 7.745,833 11.669,835 9.574,837 2.245,838 38.167,839 0.001,842 35.313,843 45.382,844 191.947,849 137.29,850 35.313,851 100.039,854 51.85,855 45.342,856 55.1,857 4.901,858 69.496,859 45.954,860 35.313,861 145.421,864 91.908,865 35.313,869 52.045,870 59.806,871 33.571,872 91.908,873 35.313,874 100.039,875 137.29,878 35.313,879 17.382,880 28,881 125.479,882 66.468,883 35.313,884 100.039,885 137.29,887 0.598,888 0.355,889 0.196,890 0.105,891 16,892 7,893 0.038,894 1,895 1,896 1.143,897 2.899,898 125.842,899 0.143,900 14,901 67.487,904 11.258,905 4.118,906 1.9,907 1.626,908 66.468,909 5.504,910 8.571,911 6.154,914 3.839,916 66.468,917 272.643,918 26.5,926 24.734,927 27.005,928 0.396,929 0.811,930 0.945,931 0.982,932 0.982,933 0.982,934 4.551,935 0.46,936 5.442,937 3.198,938 4.043,939 4.718,941 6.297,942 3.843,943 5.813,944 -0.409,945 7.031,946 1.266,947 3.761,948 4.691,950 7.248,951 3.414,952 7.155,953 -0.445,954 8.716,955 -1.017,956 5.68,957 7.064,959 10.375,960 5.347,961 8.537,962 -0.809,963 10.456,964 -1.056,965 6.196,966 7.87,968 12.161,969 5.758,970 9.949,971 -1,972 12.23,973 -2.002,974 7.625,975 9.714,977 14.803,978 7.177,979 11.384,980 -1.131,981 14.03,982 -2.756,983 8.494,984 10.902,986 16.933,987 7.975,988 12.837,989 -1.512,990 15.848,991 -2.908,992 9.737,993 12.536,995 19.409,996 9.194,997 3.192,998 -1.746,999 17.68,1000 -4.952,1001 10.76,1002 13.899,1004 21.685,1005 10.164,1006 2.839,1007 10.991,1008 19.523,1009 -5.099,1010 11.934,1011 15.45,1013 24.104,1014 11.307,1015 2.328,1016 8.768,1017 21.375,1018 4.566,1019 13.024,1020 16.891,1022 26.444,1023 12.353,1024 1.888,1025 7.215,1026 23.235,1027 3.958,1028 14.176,1029 18.411,1031 28.844,1032 13.47,1033 1.422,1034 5.251,1035 25.1,1036 3.108,1037 15.296,1038 19.888,1040 31.212,1041 14.549,1042 1.313,1043 4.245,1044 26.971,1045 2.616,1046 16.441,1047 21.398,1049 33.607,1050 15.658,1051 1.247,1052 3.27,1053 28.846,1054 2.066,1055 17.575,1056 22.892,1058 35.989,1059 16.754,1060 2184,1061 4503,1062 12.542,1063 19.256,1064 29.845,1065 29.78,1066 30.808,1067 29.713,1068 29.379,1069 41.073,1071 88.408,1072 25.929,1073 5.297,1074 5.352,1075 6.245,1076 5.197,1077 5.192,1078 7.566,1080 18.294,1081 5.006,1082 8.245,1083 1.571,1084 1.567,1085 1.621,1086 1.564,1087 1.546,1088 2.162,1090 4.653,1091 1.365,1092 4.123,1093 4.168,1094 6.929,1095 3.997,1096 5.264,1097 4.011,1098 3.861,1099 3.903,1100 6.83,1101 3.768,1102 4.912,1103 3.755,1104 3.351,1105 3.432,1106 4.078,1107 3.109,1108 4.71,1109 3.141,1110 2.879,1111 2.918,1112 3.622,1113 2.845,1114 4.283,1115 2.805,1116 2.748,1117 2.891,1118 3.247,1119 2.547,1120 3.842,1121 2.421,1122 2.583,1123 2.67,1124 2.71,1125 2.4,1126 3.605,1127 2.409,1128 2.327,1129 2.37,1130 2.557,1131 2.247,1132 3.424,1133 2.187,1134 2.106,1135 2.24,1136 2.205,1137 1.728,1138 3.143,1139 1.739,1140 0.243,1141 0.176,1142 0.354,1143 0.218,1144 0.168,1145 4.625,1146 0.24,1147 3.352,1149 6.727,1150 0.578,1151 4.145,1152 0.16,1153 3.192,1154 4.566,1156 10.991,1157 3.045,1158 1.884,1159 1.852,1160 1.943,1161 2.016,1162 1.05,1163 1.998,1164 1.477,1165 1.448,1166 1.587,1167 1.757,1168 0.683,1169 1.714,1170 1.432,1171 1.388,1172 1.441,1173 1.574,1174 0.571,1175 1.555,1176 1.287,1177 1.211,1178 1.329,1179 1.453,1180 0.291,1181 1.486,1182 0.855,1183 0.789,1184 1.049,1185 1.107,1186 0.088,1187 1.095,1188 0.571,1189 0.457,1190 0.911,1191 0.968,1193 0.965,1194 0.244,1195 0.101,1196 0.601,1197 0.593,1199 0.601,1202 0.142,1203 0.074,1205 0.175,1206 3.664,1208 5.017,1209 3.045,1210 6.55,1211 5.416,1212 8.166,1213 7.496,1214 9.83,1215 6.823,1220 5.649,1231 18.211,1232 43.559,1233 89.284,1234 104.039,1235 108.039,1236 108.039,1237 108.039,1238 17.405,1239 6.435,1240 83.38,1241 83.38,1242 16,1243 12.26,1244 4,1245 3.087,1246 23.601,1247 40,1248 36,1249 0.302,1250 124.748,1251 189.5,1252 296.146,1253 4244,1254 8.3,1255 11.991,1256 0.705,1257 0.684,1258 13.991,1259 11.632,1260 8.148,1261 0.429,1262 0.336,1263 4.818,1264 6.853,1265 4.649,1266 3.813,1267 9.303,1268 6.381,1269 7.781,1270 0.278,1271 0.185,1272 9.264,1273 5.17,1274 6.573,1275 0.173,1276 0.11,1277 8.516,1278 4.182,1279 5.582,1280 0.107,1281 0.045,1282 6.459,1283 2.339,1284 4.327,1285 0.071,1286 0.025,1287 5.218,1288 1.537,1289 0.444,1290 67.598,1291 0.282,1292 16.605,1293 0.918,1294 94,1295 282.577,1296 236.7,1297 354.31,1298 470.51,1299 328,1300 113,1301 306.1,1302 222.971,1303 335.776,1304 496.11,1305 316,1306 4.523} {0 CHEMBL2313884,1 1.618,2 10.6,3 4.776,4 22.814,5 103.686,6 8.151,7 0.75,8 3.878,9 3.988,10 3.584,11 3.482,12 4.996,13 3.444,14 4.375,15 4.544,16 3.969,17 3.873,18 5.425,19 3.815,20 4.499,21 4.649,22 4.062,23 3.991,24 5.545,25 3.911,26 4.622,27 4.829,28 3.928,29 3.99,30 5.58,31 3.863,32 4.576,33 4.819,34 3.752,35 3.876,36 5.473,37 3.73,38 4.396,39 4.618,40 3.659,41 3.727,42 5.348,43 3.6,44 4.211,45 4.412,46 3.483,47 3.55,48 5.226,49 3.456,50 4.132,51 4.344,52 3.378,53 3.449,54 5.104,55 3.367,56 0.01,57 0.652,58 8.198,59 3.843,60 7.809,61 4.638,62 0.213,63 1.06,64 16.913,65 6.457,66 18.728,67 7.616,68 0.136,69 1.218,70 19.873,71 7.433,72 15.689,73 9.032,74 0.182,75 1.301,76 24.861,77 9.475,78 23.416,79 11.7,80 0.162,81 1.206,82 24.856,83 9.396,84 23.847,85 12.062,86 0.194,87 1.053,88 23.015,89 7.817,90 20.593,91 9.361,92 0.253,93 0.869,94 15.686,95 5.501,96 19.165,97 6.848,98 0.127,99 0.778,100 13.425,101 4.895,102 15.914,103 6.498,104 14,105 40,106 0.278,107 0.612,108 0.733,109 0.795,110 0.811,111 0.811,112 3.267,113 0.935,114 -4.6,115 -4.52,116 -4.26,119 44.2,123 3,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 5,164 1,166 2,168 7,172 6,176 3,178 4,182 7,185 1,187 1,190 1,194 4,197 1,199 2,202 2,205 1,206 3,211 1,213 4,216 2,217 2,220 1,224 6,229 1,237 6,241 1,242 3,250 2,255 896,256 17.11,257 17.11,258 17.11,259 17.11,260 17.11,261 14.756,262 20.317,263 9.906,264 17.736,265 13.765,266 13.765,267 13.765,268 13.765,269 13.765,270 10.102,271 31.937,272 4.62,273 14.713,274 3.809,275 1.865,276 1.161,277 0.797,278 0.704,279 0.704,280 3.967,284 1,285 578,286 3,288 37.691,289 178.062,291 153.34,295 1.664,296 12.307,298 1,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 0.87,306 53,307 265,308 4.753,309 3.297,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.144,318 2.996,319 6.038,320 3.759,321 2.801,322 3.772,323 0.8,324 8.676,325 2.684,326 4.034,327 2.862,328 5.925,329 3.598,330 2.653,331 3.644,332 0.4,333 8.201,334 2.497,335 3.69,336 2.646,337 5.436,338 3.322,339 2.379,340 3.075,342 7.088,343 2.239,344 3.508,345 2.287,346 5.24,347 3.089,348 2.142,349 2.828,351 6.48,352 2.02,353 3.284,354 1.855,355 4.97,356 2.703,357 1.809,358 2.65,360 5.467,361 1.6,362 2.902,363 1.546,364 4.455,365 2.363,366 1.45,367 2.087,369 4.132,370 1.313,371 2.779,372 1.411,373 3.843,374 2.253,375 1.322,376 1.904,378 3.099,379 1.222,380 2.5,381 1.304,382 3.778,383 2.162,384 1.213,385 1.5,386 2.918,387 1.148,388 2.456,389 1.037,390 3.414,391 2,392 1,393 1.45,394 2.275,395 1,396 2.037,397 1,398 3.265,399 1.532,400 0.642,401 0.859,402 1.529,403 0.562,404 1.61,405 0.611,406 2.878,407 1.271,408 0.407,409 0.48,411 0.679,412 0.348,413 1.337,414 0.16,415 2.817,416 0.941,417 0.022,418 0.028,420 0.055,421 0.02,422 0.931,423 -0.272,424 2.403,425 0.476,426 -0.456,427 -0.602,429 -1.052,430 -0.42,431 0.803,432 -0.459,433 2.252,434 0.269,435 -0.669,436 -0.905,438 -1.696,439 -0.609,440 12.267,441 0.491,442 0.606,443 0.024,444 36.25,445 1.45,446 19.5,447 0.78,448 16.75,449 0.67,450 18.019,451 0.721,452 25.533,453 0.594,454 24.441,455 0.978,456 7.142,457 0.286,458 5.01,459 0.2,460 0.122,462 0.359,466 0.928,467 1.269,468 0.717,469 0.937,470 0.892,471 0.874,472 1.323,473 0.736,474 0.79,475 0.613,476 0.922,477 0.621,478 1.049,479 1.286,480 1.023,481 1.145,482 0.953,483 1.034,484 0.797,485 1.102,486 1.043,487 1.124,488 0.929,489 1.078,490 0.648,491 0.959,492 0.926,493 0.98,494 0.841,495 0.952,496 0.862,497 1.096,498 1.301,499 1.174,500 0.845,501 0.969,502 1.007,503 0.913,504 1.121,505 0.998,506 0.996,507 1.027,508 1.129,509 1.075,510 0.776,511 0.872,512 1.149,513 0.952,514 5,515 0.144,516 2.889,517 1.889,518 1.364,519 0.733,520 0.55,521 0.324,522 0.214,523 0.17,524 7268,525 18546,526 2.13,527 41.9,529 16,531 1,532 1,536 1.679,537 2,538 3.368,539 -0.317,545 69.56,546 1.618,547 3.562,548 4.265,549 4.629,550 4.722,551 4.722,552 2.889,553 4.164,554 4.611,555 3.51,556 1052.86,557 7.97,558 12536.9,560 1,563 233.329,564 1.388,565 4.579,566 0.179,567 0.01,568 0.072,569 0.046,570 0.039,571 0.024,572 0.02,573 0.013,574 0.01,575 0.009,576 0.423,577 0.17,578 1,579 0.844,580 120.316,581 -0.031,582 -0.191,583 0.077,584 -0.029,585 -0.076,586 -0.001,587 -0.102,588 0.346,589 0.158,590 0.34,591 0.068,592 0.276,593 -0.075,594 -0.22,595 -0.012,596 -0.128,597 -0.064,598 -0.115,599 0.022,600 -0.108,601 -0.018,602 -0.102,603 -0.045,604 -0.094,605 0.081,606 -0.014,607 0.099,608 0.04,609 0.086,610 0.075,611 0.037,612 -0.058,613 -0.081,614 -0.057,615 0.129,616 0.03,617 0.117,618 0.144,619 -0.176,620 -0.068,621 0.058,622 -0.113,623 -0.107,624 -0.103,625 0.009,626 -0.023,627 -0.085,628 -0.017,629 0.845,630 1.826,631 0.76,632 22.208,633 1,634 1.117,635 3.372,636 11.37,637 0.708,638 3.367,639 3.714,640 4.025,641 4.317,642 4.595,643 4.736,644 4.913,645 5.075,646 5.1,647 5.187,648 6.102,649 0.667,650 350.48,651 3.367,652 4.92,653 5.79,654 6.683,655 7.574,656 8.476,657 9.375,658 10.282,659 11.187,660 12.098,661 9.3,667 1,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,695 1,697 1,699 43,700 21,701 2,702 28,704 46,705 19,706 16,707 5,708 7,710 4,711 7,721 16,722 3,736 18,737 5,738 1,739 6,740 1,743 4,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 3,785 25,790 1,791 1,794 1,797 1,801 2.3,806 1,808 12.5,809 8.85,810 5.472,811 2.35,812 4.309,813 1.558,814 1.025,815 4.277,816 12.026,817 3.676,818 4.366,819 5.061,820 5.752,821 6.4,822 6.841,823 7.365,824 7.877,825 8.167,826 8.566,827 1,828 41,829 9.17,831 3.834,832 7.547,833 17.742,835 14.456,837 2.047,838 51.167,841 1,842 200.109,843 153.199,844 54.706,846 11,848 31.278,849 121.922,850 211.109,851 54.706,852 27.676,854 66.334,855 45.342,856 56.228,857 3.82,858 219.615,860 200.109,861 176.628,862 11,863 31.278,865 200.109,866 11,869 28.773,870 114.283,871 33.571,872 31.278,873 200.109,874 65.706,875 153.199,878 200.109,879 50.571,880 105.752,881 18.011,882 44.571,883 200.109,884 65.706,885 153.199,887 0.585,888 0.349,889 0.186,890 0.105,891 21,892 9,893 0.087,894 4,895 2,896 1.211,897 3.719,898 214.12,899 0.211,900 19,901 110.096,902 1,904 16.246,905 6.581,906 3.054,907 4.266,908 65.706,909 15.929,910 8.92,913 1.669,914 3.83,916 18.011,917 419.014,918 38.5,926 42.996,927 48.029,928 0.298,929 0.656,930 0.786,931 0.853,932 0.87,933 0.87,934 4.907,935 1.322,936 5.784,937 4.132,938 4.394,939 5.053,940 1.324,941 6.621,942 4.269,943 6.144,944 1.213,945 7.358,946 3.099,947 4.007,948 4.956,949 0.325,950 7.567,951 3.821,952 7.473,953 1,954 9.031,955 2.918,956 6.014,957 7.396,958 0.958,959 10.678,960 5.779,961 8.843,962 0.642,963 10.761,964 2.275,965 6.447,966 8.162,967 0.268,968 12.469,969 6.14,970 10.246,971 0.407,972 12.529,973 1.529,974 7.926,975 10.071,976 0.736,977 15.11,978 7.582,979 11.674,980 0.022,981 14.324,982 0.679,983 8.742,984 11.26,985 0.188,986 17.268,987 8.319,988 13.122,989 -0.456,990 16.138,991 0.055,992 10.014,993 12.955,994 0.57,995 19.761,996 9.551,997 3.269,998 -0.669,999 17.969,1000 -1.052,1001 11.013,1002 14.354,1003 0.125,1004 22.08,1005 10.473,1006 2.801,1007 11.485,1008 19.812,1009 -1.696,1010 12.206,1011 15.966,1012 0.439,1013 24.529,1014 11.619,1015 2.653,1016 8.676,1017 21.667,1018 4.851,1019 13.293,1020 17.462,1021 0.082,1022 26.915,1023 12.632,1024 2.379,1025 8.201,1026 23.53,1027 3.772,1028 14.462,1029 19.045,1030 0.334,1031 29.354,1032 13.746,1033 2.142,1034 7.088,1035 25.403,1036 3.644,1037 15.591,1038 20.586,1039 0.054,1040 31.77,1041 14.804,1042 1.809,1043 6.48,1044 27.282,1045 3.075,1046 16.755,1047 22.162,1048 0.252,1049 34.207,1050 15.909,1051 1.45,1052 5.467,1053 29.167,1054 2.828,1055 17.907,1056 23.722,1057 0.035,1058 36.636,1059 16.992,1060 6942,1061 11261,1062 18.898,1063 30.455,1064 42.393,1065 42.569,1066 43.639,1067 42.168,1068 42.219,1069 58.253,1070 4.12,1071 124.167,1072 39.443,1073 5.523,1074 5.297,1075 6.412,1076 5.34,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.07,1082 11.541,1083 1.514,1084 1.52,1085 1.559,1086 1.506,1087 1.508,1088 2.08,1089 0.147,1090 4.435,1091 1.409,1092 4.164,1093 4.174,1094 4.399,1095 4.167,1096 5.102,1097 4.123,1098 3.922,1099 3.959,1100 3.868,1101 3.841,1102 4.809,1103 3.841,1104 3.665,1105 3.707,1106 3.624,1107 3.525,1108 4.745,1109 3.538,1110 3.443,1111 3.531,1112 3.37,1113 3.215,1114 4.39,1115 3.22,1116 3.253,1117 3.315,1118 3.285,1119 3.034,1120 4.235,1121 3.02,1122 3.023,1123 3.071,1124 3.062,1125 2.949,1126 3.988,1127 2.907,1128 2.966,1129 3.04,1130 2.825,1131 2.758,1132 3.849,1133 2.759,1134 2.874,1135 3.009,1136 2.687,1137 2.735,1138 3.674,1139 2.715,1140 0.17,1141 0.118,1142 0.245,1143 0.15,1144 0.117,1145 4.753,1146 0.173,1147 3.297,1148 0.031,1149 6.864,1150 0.41,1151 4.209,1152 0.11,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.944,1159 1.925,1160 2.025,1161 2.054,1162 1.155,1163 2.045,1164 1.905,1165 1.878,1166 1.991,1167 1.997,1168 1.116,1169 2,1170 1.732,1171 1.715,1172 1.753,1173 1.855,1174 0.905,1175 1.852,1176 1.412,1177 1.32,1178 1.686,1179 1.664,1180 0.77,1181 1.682,1182 1.208,1183 1.153,1184 1.557,1185 1.503,1186 0.577,1187 1.526,1188 0.992,1189 0.958,1190 1.417,1191 1.239,1192 0.469,1193 1.308,1194 0.934,1195 0.849,1196 1.181,1197 1.177,1198 0.251,1199 1.173,1200 0.92,1201 0.821,1202 1.127,1203 1.083,1204 0.218,1205 1.135,1206 4.043,1208 5.38,1209 2.398,1210 6.919,1211 4.844,1212 8.547,1213 7.066,1214 10.223,1216 5.739,1223 3.412,1224 5.326,1227 2.075,1231 28.675,1232 69.56,1233 153.149,1234 183.413,1235 199.065,1236 203.065,1237 203.065,1238 27.391,1239 7.717,1240 50.28,1241 78.52,1242 23,1243 12.614,1244 4.459,1245 3.524,1246 36.006,1247 90,1248 93,1249 0.197,1250 179.409,1251 291.76,1252 429.518,1253 23544,1255 17.389,1256 0.696,1257 0.604,1258 17.742,1259 15.093,1260 12.152,1261 0.434,1262 0.312,1263 7.855,1264 11.248,1265 7.48,1266 6.277,1267 12.56,1268 8.728,1269 11.026,1270 0.276,1271 0.175,1272 11.642,1273 6.983,1274 9.59,1275 0.174,1276 0.096,1277 10.43,1278 5.255,1279 8.043,1280 0.109,1281 0.052,1282 9.055,1283 3.88,1284 6.753,1285 0.069,1286 0.028,1287 7.758,1288 2.733,1289 0.308,1290 80.172,1291 0.23,1292 24.179,1293 0.545,1294 136,1295 373.864,1296 171.856,1297 387.34,1298 545,1299 366,1300 163,1301 397.584,1302 199.706,1303 425.548,1304 622.9,1305 397,1306 6.18} {0 CHEMBL2313885,1 1.671,2 9.96,3 3.824,4 14.624,5 88.581,6 8.825,7 0.724,8 3.828,9 3.901,10 3.549,11 3.339,12 5.024,13 3.389,14 4.335,15 4.439,16 3.932,17 3.711,18 5.54,19 3.762,20 4.413,21 4.533,22 3.928,23 3.773,24 5.591,25 3.794,26 4.449,27 4.6,28 3.804,29 3.732,30 5.565,31 3.718,32 4.399,33 4.602,34 3.642,35 3.613,36 5.433,37 3.582,38 4.266,39 4.435,40 3.607,41 3.516,42 5.382,43 3.516,44 4.177,45 4.345,46 3.558,47 3.438,48 5.305,49 3.428,50 4.04,51 4.179,52 3.44,53 3.325,54 5.2,55 3.332,56 0.137,57 0.554,58 5.362,59 3.24,60 6.433,61 3.105,62 0.509,63 0.883,64 12.012,65 5.354,66 25.001,67 4.942,68 0.468,69 0.974,70 12.497,71 5.795,72 22.658,73 5.875,74 0.533,75 1.005,76 14.369,77 6.274,78 26.053,79 6.809,80 0.451,81 0.949,82 16.425,83 6.186,84 27.038,85 7.549,86 0.475,87 0.835,88 13.11,89 4.89,90 26.556,91 5.231,92 0.453,93 0.744,94 11.889,95 4.836,96 23.052,97 5.749,98 0.398,99 0.645,100 9.456,101 3.968,102 20.93,103 4.046,104 3,105 42,106 0.292,107 0.641,108 0.788,109 0.869,110 0.887,111 0.887,112 3.268,113 0.796,114 -3.24,115 -3.23,116 -3.1,119 47.4,123 1,125 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 2,162 7,164 1,166 2,168 4,171 2,172 6,174 1,176 1,178 2,181 1,182 8,185 2,187 1,194 5,197 1,199 2,205 2,206 4,211 1,213 2,216 3,217 1,220 1,224 5,228 2,229 1,237 4,241 1,242 5,250 1,255 857,256 17.558,257 17.558,258 17.558,259 17.558,260 17.558,261 15.179,262 20.401,263 10.178,264 18.063,265 14.301,266 14.301,267 14.301,268 14.301,269 14.301,270 10.546,271 31.696,272 4.779,273 15.021,274 3.577,275 1.586,276 0.744,277 0.283,278 0.178,279 0.178,280 3.987,283 1,284 1,285 568,286 2.55,288 84.505,289 151.857,291 225.412,295 1.565,296 22.751,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 55.5,307 249,308 4.753,309 3.325,310 6.864,311 4.253,312 3.269,313 4.851,314 1.392,315 11.485,316 3.217,317 4.295,318 3.281,319 6.199,320 3.895,321 2.945,322 3.935,323 0.86,324 9.28,325 2.792,326 4.064,327 2.868,328 6.026,329 3.617,330 2.66,331 3.725,332 0.532,333 8.617,334 2.543,335 3.684,336 2.642,337 5.426,338 3.293,339 2.352,340 3.083,341 0.4,342 7.057,343 2.207,344 3.475,345 2.278,346 5.217,347 3.057,348 2.1,349 2.811,351 6.421,352 2.001,353 3.282,354 1.991,355 4.967,356 2.773,357 1.806,358 2.649,360 5.463,361 1.745,362 2.899,363 1.862,364 4.46,365 2.477,366 1.534,367 2.085,369 4.246,370 1.439,371 2.885,372 1.718,373 4.354,374 2.384,375 1.435,376 2.024,378 4.076,379 1.357,380 2.773,381 1.48,382 3.841,383 2.251,384 1.303,385 1.897,386 3.094,387 1.231,388 2.21,389 1.314,390 3.454,391 2.089,392 1.098,393 1.189,394 2.454,395 1.087,396 2.042,397 1.042,398 3.277,399 1.604,400 0.657,401 0.873,402 1.577,403 0.618,404 1.714,405 0.816,406 3.065,407 1.401,408 0.484,409 0.572,411 1.107,412 0.438,413 1.597,414 0.586,415 2.87,416 1.277,417 0.377,418 0.455,420 0.656,421 0.339,422 1.235,423 0.118,424 2.819,425 0.867,426 -0.067,427 -0.085,429 -0.175,430 -0.062,431 0.827,432 -0.287,433 2.405,434 0.406,435 -0.54,436 -0.706,438 -1.31,439 -0.507,440 11.533,441 0.461,442 0.53,443 0.021,444 38,445 1.52,446 20,447 0.8,448 18,449 0.72,450 15.444,451 0.618,452 25.667,453 0.675,454 25.942,455 1.038,456 7.695,457 0.308,458 4.619,459 0.185,460 0.043,462 0.39,466 0.929,467 1.274,468 0.618,469 1.084,470 0.881,471 0.832,472 1.238,473 0.877,474 0.804,475 0.782,476 1.085,477 0.697,478 1,479 1.136,480 0.931,481 1.028,482 0.906,483 0.978,484 0.907,485 1.176,486 1.073,487 1.124,488 0.96,489 1.144,490 0.827,491 1.064,492 0.921,493 0.962,494 0.882,495 0.959,496 1.106,497 0.967,498 1.071,499 0.865,500 1.139,501 0.922,502 0.659,503 0.958,504 0.852,505 0.988,506 0.69,507 0.976,508 1.049,509 0.966,510 1.086,511 1.014,512 1.172,513 1.036,514 4.5,515 0.056,516 2.667,517 1.896,518 1.27,519 0.577,520 0.576,521 0.253,522 0.211,523 0.122,524 7752,525 22782,526 2.251,527 34.2,529 9,530 2,531 1,532 1,536 1.68,537 2.174,538 3.305,539 -0.277,541 1,543 1,545 63.502,546 1.671,547 3.662,548 4.504,549 4.965,550 5.07,551 5.07,552 2.759,553 4.324,554 4.615,555 3.43,556 1029.09,557 7.98,558 12098.2,560 1,561 1,562 1,563 199.421,564 1.159,565 4.603,566 0.155,567 0.005,568 0.063,569 0.046,570 0.036,571 0.019,572 0.02,573 0.009,574 0.009,575 0.007,576 0.37,577 0.5,578 0.88,579 0.557,580 119.466,581 -0.103,582 -0.223,583 0.068,584 -0.144,585 -0.131,586 -0.021,587 -0.107,588 0.145,589 0.039,590 0.159,591 -0.066,592 0.143,593 -0.05,594 -0.1,595 -0.097,596 -0.091,597 -0.012,598 -0.11,599 -0.005,600 -0.169,601 -0.164,602 -0.17,603 -0.065,604 -0.211,605 -0.028,606 -0.078,607 0.104,608 0.016,609 0.024,610 0.081,611 -0.136,612 0.073,613 -0.112,614 0.07,615 -0.15,616 0.009,617 0.24,618 0.036,619 0.115,620 -0.02,621 0.261,622 0.003,623 -0.016,624 0.049,625 -0.177,626 -0.07,627 -0.141,628 -0.136,629 1.262,630 2.467,631 0.88,632 20.096,633 1.027,634 1.116,635 2.015,636 4.059,637 0.701,638 3.401,639 3.761,640 4.111,641 4.443,642 4.691,643 4.836,644 5.037,645 5.22,646 5.231,647 5.366,648 5.842,649 0.699,650 335.34,651 3.401,652 4.963,653 5.849,654 6.753,655 7.655,656 8.565,657 9.472,658 10.385,659 11.296,660 12.211,661 7.9,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 3,699 38,700 21,701 2,702 29,704 42,705 18,706 16,707 6,708 6,710 5,711 9,721 16,722 2,733 1,735 1,736 13,737 7,738 1,739 7,743 3,747 0.4,748 4,755 1,759 2,760 3,762 3,777 2,781 1,785 25,789 1,790 1,791 3,801 10.5,806 4,808 11.5,809 7.4,810 5.389,811 2.101,812 4.407,813 1.545,814 1.057,815 3.345,816 12.499,817 3.701,818 4.404,819 5.11,820 5.811,821 6.443,822 6.888,823 7.413,824 7.93,825 8.213,826 8.634,827 0.857,828 41,829 9.17,831 3.993,832 7.7,833 17.37,835 14.394,837 2.2,838 55,842 141.253,843 118.214,844 51.582,846 42.507,849 118.214,850 183.76,851 51.582,852 10.883,853 6.65,854 56.857,855 45.342,856 92.34,857 35.543,858 105.94,860 141.253,861 169.796,862 42.507,865 141.253,866 42.507,869 35.424,870 100.801,871 33.571,873 141.253,874 94.089,875 118.214,878 141.253,879 41.855,880 76.359,881 18.011,882 76.078,883 141.253,884 94.089,885 118.214,887 0.585,888 0.357,889 0.203,890 0.109,891 24,892 9,893 0.071,894 3,895 3,896 1.273,897 3.805,898 224.135,899 0.273,900 22,901 116.096,904 14.661,905 5.703,906 2.427,907 2.94,908 94.089,909 12.765,910 8.669,912 5.967,914 3.56,916 18.011,917 353.556,918 39.5,926 39.033,927 42.409,928 0.318,929 0.698,930 0.858,931 0.946,932 0.966,933 0.966,934 4.943,935 1.435,936 5.838,937 4.246,938 4.443,939 5.091,940 1.979,941 6.688,942 4.356,943 6.178,944 1.303,945 7.413,946 4.076,947 4.007,948 5.007,950 7.627,951 3.893,952 7.512,953 1.098,954 9.086,955 3.094,956 6.071,957 7.442,958 2.283,959 10.763,960 5.918,961 8.888,962 0.657,963 10.818,964 2.454,965 6.494,966 8.229,968 12.557,969 6.317,970 10.298,971 0.484,972 12.589,973 1.577,974 7.995,975 10.124,976 2.796,977 15.203,978 7.792,979 11.733,980 0.377,981 14.387,982 1.107,983 8.815,984 11.324,986 17.358,987 8.594,988 13.187,989 -0.067,990 16.205,991 0.656,992 10.096,993 13.008,994 3.392,995 19.847,996 9.855,997 3.269,998 -0.54,999 18.038,1000 -0.175,1001 11.102,1002 14.408,1004 22.157,1005 10.846,1006 2.945,1007 11.485,1008 19.884,1009 -1.31,1010 12.299,1011 16.013,1012 4.023,1013 24.599,1014 12.028,1015 2.66,1016 9.28,1017 21.741,1018 4.851,1019 13.389,1020 17.506,1022 26.976,1023 13.105,1024 2.352,1025 8.617,1026 23.606,1027 3.935,1028 14.558,1029 19.083,1030 4.67,1031 29.406,1032 14.261,1033 2.1,1034 7.057,1035 25.478,1036 3.725,1037 15.688,1038 20.619,1040 31.815,1041 15.379,1042 1.806,1043 6.421,1044 27.357,1045 3.083,1046 16.85,1047 22.19,1048 5.325,1049 34.245,1050 16.529,1051 1.534,1052 5.463,1053 29.242,1054 2.811,1055 17.999,1056 23.746,1058 36.668,1059 17.667,1060 7037,1061 12212,1062 20.285,1063 26.642,1064 43.932,1065 45.068,1066 44.783,1067 43.999,1068 44.042,1069 60.296,1070 6.366,1071 131.065,1072 42.023,1073 5.589,1074 5.325,1075 6.412,1076 5.334,1077 5.269,1078 7.851,1079 2.783,1080 18.87,1081 5.217,1082 6.655,1083 1.515,1084 1.554,1085 1.544,1086 1.517,1087 1.519,1088 2.079,1089 0.22,1090 4.519,1091 1.449,1092 4.184,1093 4.193,1094 4.168,1095 4.066,1096 5.26,1097 4.088,1098 3.944,1099 3.955,1100 3.903,1101 3.836,1102 5.005,1103 3.848,1104 3.666,1105 3.701,1106 3.621,1107 3.511,1108 4.803,1109 3.534,1110 3.332,1111 3.366,1112 3.243,1113 3.059,1114 4.568,1115 3.1,1116 3.24,1117 3.299,1118 3.117,1119 2.967,1120 4.403,1121 2.99,1122 3.053,1123 3.091,1124 2.951,1125 2.833,1126 4.173,1127 2.854,1128 2.95,1129 3.023,1130 2.813,1131 2.767,1132 3.996,1133 2.767,1134 2.831,1135 2.892,1136 2.69,1137 2.692,1138 3.892,1139 2.68,1140 0.164,1141 0.115,1142 0.237,1143 0.147,1144 0.113,1145 4.753,1146 0.167,1147 3.325,1148 0.048,1149 6.864,1150 0.396,1151 4.253,1152 0.111,1153 3.269,1154 4.851,1155 1.392,1156 11.485,1157 3.217,1158 1.94,1159 1.922,1160 2.006,1161 2.042,1162 1.147,1163 2.028,1164 1.865,1165 1.846,1166 1.949,1167 1.991,1168 1.057,1169 1.975,1170 1.701,1171 1.682,1172 1.753,1173 1.873,1174 0.787,1175 1.844,1176 1.206,1177 1.148,1178 1.564,1179 1.523,1180 0.579,1181 1.532,1182 1.161,1183 1.127,1184 1.439,1185 1.519,1186 0.571,1187 1.486,1188 0.968,1189 0.927,1190 1.169,1191 1.227,1192 0.203,1193 1.203,1194 0.941,1195 0.889,1196 1.13,1197 1.199,1198 0.184,1199 1.171,1200 0.794,1201 0.749,1202 1.054,1203 0.988,1204 0.14,1205 1.019,1206 4.078,1208 5.425,1209 3.045,1210 6.973,1211 5.416,1212 8.612,1213 7.545,1214 10.3,1216 1.621,1222 0.238,1223 3.255,1224 15.985,1231 26.557,1232 63.502,1233 139.141,1234 171.157,1235 188.666,1236 192.666,1237 192.666,1238 26.488,1239 8.092,1240 78.64,1241 78.64,1242 28,1243 12.724,1244 4.459,1245 3.524,1246 32.12,1247 87,1248 91,1249 0.181,1250 156.487,1251 258.96,1252 373.588,1253 38574,1255 16.803,1256 0.672,1257 0.531,1258 16.803,1259 13.276,1260 12.314,1261 0.425,1262 0.265,1263 7.51,1264 11.6,1265 7.377,1266 6.076,1267 12.314,1268 7.696,1269 11.131,1270 0.265,1271 0.132,1272 11.131,1273 5.557,1274 10.154,1275 0.169,1276 0.068,1277 10.154,1278 4.095,1279 8.967,1280 0.107,1281 0.034,1282 8.967,1283 2.882,1284 7.376,1285 0.068,1286 0.018,1287 7.376,1288 1.914,1289 0.281,1290 78.949,1291 0.222,1292 24.053,1293 0.507,1294 142,1295 478.565,1296 161.999,1297 444.619,1298 623.73,1299 422,1300 173,1301 475.91,1302 194.221,1303 475.847,1304 706.65,1305 446,1306 5.553} {0 CHEMBL2313886,1 1.649,2 10.615,3 3.842,4 14.759,5 93.771,6 8.521,7 0.7,8 3.889,9 3.968,10 3.582,11 3.4,12 5.058,13 3.439,14 4.406,15 4.521,16 3.956,17 3.767,18 5.56,19 3.808,20 4.552,21 4.684,22 4.008,23 3.85,24 5.714,25 3.871,26 4.514,27 4.666,28 3.854,29 3.813,30 5.612,31 3.789,32 4.489,33 4.691,34 3.706,35 3.722,36 5.502,37 3.677,38 4.39,39 4.58,40 3.65,41 3.604,42 5.455,43 3.584,44 4.263,45 4.446,46 3.594,47 3.504,48 5.358,49 3.485,50 4.138,51 4.29,52 3.513,53 3.417,54 5.266,55 3.415,56 0.117,57 0.594,58 6.423,59 3.584,60 6.51,61 3.691,62 0.409,63 0.95,64 13.849,65 5.959,66 23.338,67 5.973,68 0.651,69 1.078,70 17.075,71 6.763,72 32.716,73 7.164,74 0.503,75 1.075,76 16.064,77 6.848,78 26.134,79 7.817,80 0.419,81 1.038,82 18.009,83 6.892,84 26.778,85 8.663,86 0.481,87 0.939,88 16.229,89 5.754,90 28.904,91 6.847,92 0.468,93 0.814,94 13.955,95 5.255,96 24.717,97 6.531,98 0.396,99 0.716,100 11.37,101 4.478,102 22.043,103 4.997,104 3,105 43,106 0.285,107 0.629,108 0.772,109 0.846,110 0.862,111 0.871,112 3.305,113 0.82,114 -3.07,115 -3.07,116 -2.95,119 46.3,123 1,124 2,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 7,164 1,166 2,168 4,171 3,172 6,174 1,176 1,178 2,181 1,182 8,185 2,187 1,194 5,197 1,199 2,205 2,206 4,211 1,213 2,216 3,217 1,220 1,224 5,228 2,229 1,237 4,241 1,242 5,250 1,255 966,256 18.265,257 18.265,258 18.265,259 18.265,260 18.265,261 15.886,262 21.795,263 10.678,264 18.894,265 14.801,266 14.801,267 14.801,268 14.801,269 14.801,270 11.046,271 33.441,272 5.026,273 15.72,274 3.709,275 1.715,276 0.885,277 0.457,278 0.36,279 0.311,280 4.025,283 1,284 1,285 626,286 2.55,288 36.639,289 217.808,291 148.008,292 96.229,295 1.615,296 23.803,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 57.5,307 276,308 4.753,309 3.305,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.284,318 3.246,319 6.189,320 3.873,321 2.928,322 3.927,323 0.86,324 9.252,325 2.764,326 4.063,327 2.866,328 6.025,329 3.613,330 2.658,331 3.724,332 0.86,333 8.614,334 2.537,335 3.681,336 2.637,337 5.426,338 3.287,339 2.349,340 3.082,341 0.4,342 7.054,343 2.194,344 3.471,345 2.28,346 5.216,347 3.051,348 2.099,349 2.805,351 6.416,352 1.989,353 3.282,354 2.17,355 4.967,356 2.773,357 1.807,358 2.649,360 5.463,361 1.745,362 2.923,363 1.87,364 4.468,365 2.53,366 1.618,367 2.085,369 4.384,370 1.469,371 2.899,372 1.778,373 4.393,374 2.394,375 1.455,376 2.061,378 4.091,379 1.362,380 2.774,381 1.486,382 3.841,383 2.31,384 1.388,385 1.898,386 3.096,387 1.268,388 2.475,389 1.315,390 3.617,391 2.242,392 1.292,393 1.474,394 2.997,395 1.222,396 2.056,397 1.048,398 3.288,399 1.646,400 0.726,401 0.909,402 1.703,403 0.661,404 1.904,405 1.001,406 3.167,407 1.542,408 0.62,409 0.784,411 1.451,412 0.566,413 1.607,414 0.618,415 2.91,416 1.289,417 0.403,418 0.476,420 0.675,421 0.355,422 1.303,423 0.229,424 2.824,425 0.935,426 0.008,427 0.01,429 0.02,430 0.007,431 0.913,432 -0.113,433 2.405,434 0.49,435 -0.437,436 -0.554,438 -1.03,439 -0.4,440 12.033,441 0.463,442 0.53,443 0.02,444 38.5,445 1.481,446 20,447 0.769,448 18.5,449 0.712,450 17.022,451 0.655,452 26.967,453 0.658,454 26.784,455 1.03,456 7.75,457 0.298,458 5.064,459 0.195,460 0.042,462 0.374,466 0.917,467 1.285,468 0.643,469 1.1,470 0.854,471 0.86,472 1.312,473 0.957,474 0.825,475 0.876,476 1.122,477 0.759,478 1.174,479 1.009,480 0.946,481 0.891,482 1.043,483 0.871,484 0.893,485 1.192,486 1.061,487 1.138,488 0.938,489 1.145,490 0.798,491 1.099,492 0.941,493 1.017,494 0.866,495 1.011,496 1.031,497 1.009,498 1.028,499 0.899,500 1.06,501 0.938,502 0.686,503 0.921,504 0.86,505 0.934,506 0.702,507 0.931,508 1.01,509 0.997,510 1.017,511 0.99,512 1.123,513 0.989,514 4.5,515 0.061,516 2.667,517 1.826,518 1.457,519 0.58,520 0.61,521 0.256,522 0.217,523 0.152,524 8614,525 24262,526 2.241,527 36.6,529 13,531 1,532 1,536 1.69,537 2.167,538 3.383,539 -0.294,541 1,543 1,545 67.591,546 1.649,547 3.642,548 4.473,549 4.9,550 4.998,551 5.046,552 2.888,553 4.287,554 4.672,555 3.495,556 1135.84,557 8.092,558 13796.7,560 1,562 1,563 219.66,564 1.142,565 4.66,566 0.15,567 0.004,568 0.062,569 0.042,570 0.039,571 0.018,572 0.02,573 0.009,574 0.008,575 0.008,576 0.361,577 0.5,578 0.88,579 0.542,580 126.278,581 -0.087,582 -0.215,583 0.072,584 -0.136,585 -0.088,586 -0.018,587 -0.184,588 0.07,589 0.04,590 0.078,591 -0.097,592 0.107,593 -0.02,594 0.009,595 -0.036,596 0.057,597 0.006,598 0.012,599 0.004,600 -0.172,601 -0.168,602 -0.178,603 -0.053,604 -0.217,605 -0.023,606 -0.108,607 0.038,608 -0.042,609 0.006,610 0.002,611 -0.087,612 0.02,613 -0.045,614 0.043,615 -0.083,616 0.018,617 0.221,618 0.094,619 0.111,620 0.024,621 0.248,622 0.039,623 0.011,624 0.03,625 -0.095,626 -0.043,627 -0.087,628 -0.076,629 1.082,630 2.487,631 0.885,632 21.574,633 1.022,634 1.118,635 1.841,636 3.389,637 0.693,638 3.434,639 3.784,640 4.127,641 4.454,642 4.745,643 4.86,644 5.056,645 5.242,646 5.303,647 5.389,648 6.077,649 0.685,650 349.37,651 3.434,652 4.99,653 5.872,654 6.772,655 7.67,656 8.577,657 9.482,658 10.392,659 11.3,660 12.213,661 7.3,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 3,699 41,700 21,701 2,702 30,704 45,705 19,706 16,707 6,708 6,710 5,711 9,721 16,722 3,733 1,735 1,736 15,737 7,738 1,739 7,743 3,747 0.4,748 4,755 1,759 1,760 4,762 2,763 1,777 2,781 1,785 26,789 2,790 1,791 3,801 9.8,806 4,808 12,809 7.9,810 5.639,811 2.351,812 4.418,813 1.539,814 1.046,815 3.746,816 12.621,817 3.726,818 4.416,819 5.116,820 5.814,821 6.457,822 6.893,823 7.417,824 7.934,825 8.235,826 8.637,827 1,828 44,829 9.555,831 4.143,832 7.673,833 18.186,835 15.06,837 2.173,838 56.5,841 1,842 164.795,843 120.748,844 51.582,846 42.507,849 120.748,850 207.302,851 51.582,852 10.883,853 9.185,854 56.857,855 45.342,856 92.34,857 12,858 153.024,860 164.795,861 172.33,862 42.507,865 164.795,866 42.507,869 37.958,870 100.801,871 33.571,873 164.795,874 94.089,875 120.748,878 164.795,879 44.389,880 76.359,881 18.011,882 76.078,883 164.795,884 94.089,885 120.748,887 0.582,888 0.353,889 0.201,890 0.115,891 24,892 9,893 0.067,894 3,895 3,896 1.261,897 3.885,898 235.037,899 0.261,900 23,901 122.211,904 15.582,905 6.25,906 2.721,907 2.946,908 94.089,909 12.834,910 8.7,912 5.987,914 3.589,916 18.011,917 379.633,918 40.5,926 41.916,927 45.824,928 0.308,929 0.68,930 0.835,931 0.915,932 0.933,933 0.942,934 4.965,935 1.455,936 5.855,937 4.384,938 4.466,939 5.103,940 1.751,941 6.698,942 4.364,943 6.192,944 1.388,945 7.425,946 4.091,947 4.007,948 5.007,950 7.627,951 3.893,952 7.523,953 1.292,954 9.094,955 3.096,956 6.084,957 7.446,958 1.466,959 10.765,960 5.912,961 8.894,962 0.726,963 10.823,964 2.997,965 6.479,966 8.225,968 12.552,969 6.301,970 10.3,971 0.62,972 12.592,973 1.703,974 7.997,975 10.123,976 1.234,977 15.202,978 7.778,979 11.732,980 0.403,981 14.388,982 1.451,983 8.798,984 11.321,986 17.353,987 8.574,988 13.185,989 0.008,990 16.204,991 0.675,992 10.09,993 13.006,994 1.028,995 19.844,996 9.837,997 3.269,998 -0.437,999 18.037,1000 0.02,1001 11.085,1002 14.406,1004 22.153,1005 10.825,1006 2.928,1007 11.485,1008 19.882,1009 -1.03,1010 12.288,1011 16.011,1012 0.845,1013 24.596,1014 12.008,1015 2.658,1016 9.252,1017 21.738,1018 4.851,1019 13.374,1020 17.504,1022 26.973,1023 13.085,1024 2.349,1025 8.614,1026 23.603,1027 3.927,1028 14.546,1029 19.081,1030 0.684,1031 29.404,1032 14.242,1033 2.099,1034 7.054,1035 25.475,1036 3.724,1037 15.673,1038 20.618,1040 31.812,1041 15.361,1042 1.807,1043 6.416,1044 27.354,1045 3.082,1046 16.837,1047 22.189,1048 0.546,1049 34.243,1050 16.512,1051 1.618,1052 5.463,1053 29.238,1054 2.805,1055 17.985,1056 23.745,1058 36.666,1059 17.651,1060 7850,1061 13326,1062 20.978,1063 28.404,1064 45.244,1065 46.14,1066 46.211,1067 45.168,1068 45.238,1069 61.468,1070 5.96,1071 133.403,1072 42.713,1073 5.697,1074 5.305,1075 6.551,1076 5.393,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.217,1082 6.851,1083 1.508,1084 1.538,1085 1.54,1086 1.506,1087 1.508,1088 2.049,1089 0.199,1090 4.447,1091 1.424,1092 4.184,1093 4.193,1094 4.168,1095 4.066,1096 5.26,1097 4.088,1098 3.94,1099 3.954,1100 3.895,1101 3.835,1102 4.95,1103 3.845,1104 3.669,1105 3.705,1106 3.622,1107 3.512,1108 4.802,1109 3.535,1110 3.454,1111 3.503,1112 3.328,1113 3.25,1114 4.567,1115 3.259,1116 3.257,1117 3.318,1118 3.134,1119 2.99,1120 4.391,1121 3.012,1122 3.056,1123 3.098,1124 2.968,1125 2.834,1126 4.215,1127 2.858,1128 2.992,1129 3.061,1130 2.858,1131 2.795,1132 4.17,1133 2.799,1134 2.868,1135 2.916,1136 2.746,1137 2.708,1138 3.922,1139 2.702,1140 0.158,1141 0.11,1142 0.229,1143 0.142,1144 0.109,1145 4.753,1146 0.162,1147 3.305,1148 0.029,1149 6.864,1150 0.383,1151 4.253,1152 0.107,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.942,1159 1.924,1160 2.01,1161 2.059,1162 1.148,1163 2.04,1164 1.893,1165 1.877,1166 1.982,1167 2.011,1168 1.107,1169 2.002,1170 1.713,1171 1.693,1172 1.772,1173 1.919,1174 0.928,1175 1.876,1176 1.413,1177 1.361,1178 1.668,1179 1.64,1180 0.782,1181 1.65,1182 1.204,1183 1.145,1184 1.564,1185 1.521,1186 0.571,1187 1.531,1188 0.967,1189 0.927,1190 1.169,1191 1.225,1192 0.216,1193 1.202,1194 0.941,1195 0.882,1196 1.16,1197 1.182,1198 0.186,1199 1.171,1200 0.842,1201 0.791,1202 1.049,1203 1.053,1204 0.145,1205 1.056,1206 4.111,1208 5.451,1209 2.398,1210 7.002,1211 4.844,1212 8.648,1213 7.066,1214 10.34,1216 1.623,1222 1.106,1223 3.275,1224 16.439,1231 28.084,1232 67.591,1233 149.337,1234 183.395,1235 200.905,1236 204.905,1237 206.905,1238 29.546,1239 8.203,1240 78.64,1241 78.64,1242 29,1243 12.727,1244 4.459,1245 3.524,1246 33.946,1247 94,1248 98,1249 0.176,1250 166.079,1251 276.26,1252 396.993,1253 44869,1255 17.51,1256 0.673,1257 0.538,1258 17.51,1259 13.983,1260 12.814,1261 0.427,1262 0.273,1263 8.01,1264 12.088,1265 7.878,1266 6.464,1267 12.814,1268 8.196,1269 11.485,1270 0.267,1271 0.136,1272 11.485,1273 5.848,1274 10.404,1275 0.171,1276 0.07,1277 10.404,1278 4.265,1279 9.137,1280 0.107,1281 0.036,1282 9.137,1283 3.029,1284 7.913,1285 0.069,1286 0.018,1287 7.913,1288 2.105,1289 0.274,1290 81.949,1291 0.218,1292 24.926,1293 0.49,1294 146,1295 482.565,1296 165.778,1297 448.039,1298 629.17,1299 426,1300 177,1301 479.91,1302 198.332,1303 477.423,1304 709.21,1305 450,1306 5} {0 CHEMBL2313887,1 1.722,2 9.739,3 4.262,4 18.16,5 83.03,6 8.838,7 0.808,8 3.718,9 3.806,10 3.432,11 3.27,12 4.966,13 3.301,14 4.193,15 4.312,16 3.802,17 3.622,18 5.455,19 3.655,20 4.349,21 4.491,22 3.84,23 3.679,24 5.62,25 3.698,26 4.344,27 4.515,28 3.685,29 3.613,30 5.516,31 3.599,32 4.263,33 4.465,34 3.567,35 3.519,36 5.374,37 3.492,38 4.171,39 4.342,40 3.5,41 3.44,42 5.343,43 3.433,44 4.066,45 4.252,46 3.372,47 3.333,48 5.27,49 3.298,50 3.877,51 4.055,52 3.189,53 3.159,54 5.173,55 3.127,56 0.107,57 0.576,58 4.757,59 2.936,60 5.674,61 2.95,62 0.292,63 0.906,64 9.667,65 4.796,66 17.719,67 4.792,68 0.469,69 1.061,70 12.542,71 5.538,72 32.503,73 5.64,74 0.476,75 1.01,76 13.629,77 5.704,78 33.245,79 6.196,80 0.368,81 0.89,82 13.932,83 5.37,84 27.818,85 6.6,86 0.404,87 0.828,88 11.703,89 4.569,90 28.939,91 4.735,92 0.366,93 0.764,94 10.729,95 4.441,96 27.239,97 5.257,98 0.34,99 0.664,100 8.6,101 3.661,102 25.719,103 4.014,104 6,105 37,106 0.307,107 0.649,108 0.771,109 0.851,110 0.851,111 0.851,112 3.189,113 0.806,114 -4.25,115 -4.19,116 -3.96,119 48.6,123 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 5,164 1,166 2,168 5,171 2,172 3,174 1,176 2,178 3,181 1,182 7,185 1,187 1,194 6,199 2,205 1,206 5,211 1,213 2,216 1,217 2,220 1,224 6,237 6,242 2,250 2,255 693,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 15.428,263 9.271,264 16.326,265 12.797,266 12.797,267 12.797,268 12.797,269 12.797,270 9.099,271 22.813,272 4.361,273 13.41,274 3.407,275 1.497,276 0.812,277 0.364,278 0.364,279 0.364,280 3.892,284 1,285 494,286 2.449,288 32.495,289 155.341,291 132.804,295 1.49,296 24.464,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 51,307 224,308 4.753,309 3.297,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.112,318 2.951,319 6.035,320 3.683,321 2.723,322 3.762,323 0.4,324 8.665,325 2.612,326 3.964,327 2.842,328 5.473,329 3.499,330 2.537,331 3.586,333 7.246,334 2.437,335 3.636,336 2.62,337 5.311,338 3.207,339 2.272,340 3.052,342 6.696,343 2.116,344 3.373,345 2.25,346 5.001,347 2.948,348 2.007,349 2.682,351 5.727,352 1.87,353 3.278,354 1.847,355 4.87,356 2.77,357 1.802,358 2.634,360 5.415,361 1.742,362 2.897,363 1.497,364 4.436,365 2.375,366 1.429,367 2.083,369 4.086,370 1.347,371 2.771,372 1.318,373 3.841,374 2.247,375 1.298,376 1.895,378 3.094,379 1.227,380 2.5,381 1.045,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.047,389 1,390 3.274,391 1.599,392 0.654,393 0.874,394 1.562,395 0.612,396 1.617,397 0.711,398 2.902,399 1.3,400 0.418,401 0.489,402 0.7,403 0.366,404 1.431,405 0.451,406 2.822,407 1.048,408 0.125,409 0.159,411 0.289,412 0.114,413 1.029,414 -0.037,415 2.403,416 0.577,417 -0.335,418 -0.434,420 -0.767,421 -0.3,422 0.804,423 -0.348,424 2.254,425 0.312,426 -0.652,427 -0.86,429 -1.595,430 -0.612,431 0.677,432 -0.66,433 2.233,434 0.213,435 -0.729,436 -1.063,438 -2.02,439 -0.689,440 10.652,441 0.463,442 0.516,443 0.022,444 34.75,445 1.511,446 19,447 0.826,448 15.75,449 0.685,450 13.66,451 0.594,452 23.548,453 0.673,454 23.767,455 1.033,456 7.133,457 0.31,458 4.108,459 0.179,460 0.074,462 0.376,464 1,466 0.758,467 1.052,468 0.614,469 0.999,470 0.594,471 0.819,472 0.975,473 0.928,474 0.74,475 0.903,476 0.675,477 0.791,478 1.091,479 1.076,480 0.968,481 0.986,482 1.017,483 0.952,484 0.97,485 1.008,486 1.072,487 1.053,488 0.901,489 1.079,490 0.695,491 0.763,492 0.833,493 0.912,494 0.441,495 0.908,496 1.147,497 0.893,498 1.133,499 0.902,500 0.877,501 0.975,502 0.719,503 0.821,504 0.983,505 1.012,506 0.64,507 1.07,508 0.884,509 1.079,510 1.104,511 1.057,512 1.006,513 1.121,514 4.5,515 0.046,516 2.444,517 1.639,518 1.284,519 0.553,520 0.55,521 0.293,522 0.165,523 0.141,524 5726,525 18368,526 2.168,527 34.3,529 10,531 1,532 1,536 1.658,537 2.06,538 3.254,539 -0.284,541 1,545 60.264,546 1.722,547 3.632,548 4.318,549 4.765,550 4.765,551 4.765,552 2.714,553 4.002,554 4.491,555 3.351,556 847.794,557 7.739,558 9356.57,560 1,562 1,563 179.525,564 1.302,565 4.469,566 0.173,567 0.006,568 0.066,569 0.044,570 0.041,571 0.02,572 0.021,573 0.013,574 0.009,575 0.012,576 0.406,577 0.33,578 1,579 0.7,580 106.561,581 -0.072,582 -0.132,583 0.045,584 -0.082,585 -0.074,586 -0.003,587 -0.091,588 -0.01,589 0.049,590 0.021,591 -0.007,592 0.06,593 -0.058,594 -0.065,595 -0.095,596 -0.054,597 -0.072,598 -0.082,599 -0.051,600 -0.088,601 -0.144,602 -0.113,603 -0.109,604 -0.145,605 0.023,606 0.015,607 0.146,608 0.04,609 0.077,610 0.11,611 -0.194,612 -0.003,613 -0.201,614 0.024,615 -0.146,616 -0.057,617 0.126,618 0.059,619 -0.023,620 -0.051,621 0.11,622 -0.084,623 0.071,624 -0.055,625 -0.152,626 -0.086,627 0.061,628 -0.159,629 1.959,630 5.006,631 0.826,632 18.495,633 1.025,634 1.124,635 3.022,636 9.13,637 0.705,638 3.296,639 3.638,640 3.951,641 4.263,642 4.554,643 4.663,644 4.852,645 5.024,646 5.024,647 5.094,648 5.518,649 0.7,650 309.32,651 3.296,652 4.844,653 5.714,654 6.608,655 7.499,656 8.403,657 9.304,658 10.213,659 11.121,660 12.033,661 8.6,669 1,671 2,674 4,675 8,676 2,678 1,680 4,682 21,692 1,697 1,698 1,699 35,700 21,701 2,702 26,704 38,705 17,706 16,707 5,708 7,710 4,711 7,721 16,722 1,733 1,734 1,735 1,736 12,737 6,738 1,739 6,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,783 1,785 23,790 1,791 1,800 1,801 5.7,806 2,808 11.167,809 6.793,810 5.028,811 1.936,812 4.272,813 1.567,814 1.046,815 3.356,816 11.804,817 3.624,818 4.327,819 5.022,820 5.723,821 6.377,822 6.804,823 7.337,824 7.862,825 8.141,826 8.53,827 0.857,828 37,829 8.442,831 3.65,832 7.884,833 15.77,835 12.866,837 2.384,838 54.833,842 129.482,843 119.674,844 51.582,846 20.507,847 14.96,849 119.674,850 149.989,851 66.542,852 10.883,854 66.334,855 45.342,856 68.975,857 26.96,858 117.711,860 129.482,861 171.256,862 35.467,865 144.442,866 20.507,869 28.773,870 108.911,871 33.571,873 144.442,874 72.089,875 119.674,878 129.482,879 33.839,880 85.835,881 18.011,882 69.038,883 129.482,884 87.049,885 119.674,887 0.582,888 0.346,889 0.19,890 0.112,891 20,892 8,893 0.079,894 3,895 2,896 1.211,897 3.562,898 192.908,899 0.211,900 19,901 100.042,904 13.976,905 5.522,906 2.492,907 2.801,908 87.049,909 13.047,910 8.517,912 5.88,914 1.651,916 18.011,917 336.205,918 36.5,926 35.891,927 39.329,928 0.336,929 0.708,930 0.842,931 0.929,932 0.929,933 0.929,934 4.846,935 1.298,936 5.7,937 4.086,938 4.317,939 5.014,940 1.029,941 6.532,942 4.237,943 6.086,944 1,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.776,952 7.417,953 0.654,954 8.93,955 2.275,956 5.927,957 7.37,958 0.763,959 10.583,960 5.791,961 8.787,962 0.418,963 10.653,964 1.562,965 6.33,966 8.132,968 12.376,969 6.172,970 10.191,971 0.125,972 12.415,973 0.7,974 7.828,975 10.05,976 0.597,977 15.034,978 7.656,979 11.619,980 -0.335,981 14.207,982 0.289,983 8.631,984 11.239,986 17.206,987 8.447,988 13.069,989 -0.652,990 16.021,991 -0.767,992 9.916,993 12.939,994 0.47,995 19.712,996 9.72,997 3.269,998 -0.729,999 17.853,1000 -1.595,1001 10.914,1002 14.339,1004 22.042,1005 10.709,1006 2.723,1007 11.485,1008 19.701,1009 -2.02,1010 12.118,1011 15.954,1012 0.367,1013 24.5,1014 11.902,1015 2.537,1016 8.665,1017 21.56,1018 4.851,1019 13.21,1020 17.452,1022 26.894,1023 12.985,1024 2.272,1025 7.246,1026 23.431,1027 3.762,1028 14.387,1029 19.038,1030 0.283,1031 29.338,1032 14.151,1033 2.007,1034 6.696,1035 25.31,1036 3.586,1037 15.523,1038 20.58,1040 31.758,1041 15.278,1042 1.802,1043 5.727,1044 27.197,1045 3.052,1046 16.695,1047 22.157,1048 0.217,1049 34.198,1050 16.438,1051 1.429,1052 5.415,1053 29.09,1054 2.682,1055 17.852,1056 23.718,1058 36.63,1059 17.584,1060 5424,1061 9833,1062 17.8,1063 24.671,1064 39.066,1065 39.942,1066 40.228,1067 39.055,1068 39.067,1069 55.131,1070 2.52,1071 114.479,1072 37.32,1073 5.513,1074 5.297,1075 6.412,1076 5.329,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.217,1082 8.876,1083 1.503,1084 1.536,1085 1.547,1086 1.502,1087 1.503,1088 2.12,1089 0.097,1090 4.403,1091 1.435,1092 4.183,1093 4.192,1094 4.167,1095 4.065,1096 8.201,1097 4.087,1098 3.9,1099 3.93,1100 3.849,1101 3.817,1102 5.258,1103 3.819,1104 3.658,1105 3.694,1106 3.612,1107 3.508,1108 4.811,1109 3.53,1110 3.266,1111 3.324,1112 3.155,1113 2.998,1114 4.66,1115 3.024,1116 3.076,1117 3.143,1118 3.02,1119 2.841,1120 4.557,1121 2.872,1122 3.036,1123 3.082,1124 2.908,1125 2.822,1126 4.193,1127 2.831,1128 2.854,1129 2.925,1130 2.69,1131 2.735,1132 3.959,1133 2.715,1134 2.829,1135 2.891,1136 2.687,1137 2.685,1138 3.674,1139 2.675,1140 0.183,1141 0.127,1142 0.264,1143 0.164,1144 0.126,1145 4.753,1146 0.187,1147 3.297,1148 0.033,1149 6.864,1150 0.442,1151 4.253,1152 0.124,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.942,1159 1.923,1160 2.01,1161 2.047,1162 1.146,1163 2.033,1164 1.882,1165 1.857,1166 1.98,1167 1.999,1168 1.052,1169 1.99,1170 1.706,1171 1.685,1172 1.759,1173 1.889,1174 0.787,1175 1.857,1176 1.206,1177 1.147,1178 1.564,1179 1.523,1180 0.571,1181 1.532,1182 0.974,1183 0.927,1184 1.181,1185 1.24,1186 0.218,1187 1.216,1188 0.962,1189 0.906,1190 1.169,1191 1.219,1192 0.197,1193 1.189,1194 0.886,1195 0.821,1196 1.137,1197 1.062,1198 0.182,1199 1.107,1200 0.798,1201 0.747,1202 0.973,1203 0.966,1204 0.056,1205 0.969,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.47,1213 7.066,1214 10.148,1216 1.602,1218 13.006,1223 3.121,1224 5.208,1231 24.511,1232 60.264,1233 127.119,1234 151.119,1235 166.77,1236 166.77,1237 166.77,1238 30.207,1239 7.532,1240 60.18,1241 60.18,1242 23,1243 12.548,1244 4.459,1245 3.524,1246 31.844,1247 75,1248 83,1249 0.212,1250 147.494,1251 242.51,1252 351.645,1253 18496,1254 2.9,1255 15.811,1256 0.687,1257 0.531,1258 14.941,1259 12.208,1260 11.242,1261 0.432,1262 0.269,1263 6.839,1264 10.659,1265 6.709,1266 5.55,1267 10.848,1268 6.983,1269 10.127,1270 0.274,1271 0.135,1272 9.505,1273 4.996,1274 8.891,1275 0.174,1276 0.07,1277 8.481,1278 3.567,1279 7.518,1280 0.107,1281 0.035,1282 7.376,1283 2.441,1284 6.568,1285 0.07,1286 0.018,1287 6.277,1288 1.68,1289 0.326,1290 71.563,1291 0.237,1292 22.349,1293 0.599,1294 126,1295 459.205,1296 142.523,1297 412.706,1298 565.98,1299 388,1300 151,1301 423.335,1302 167.712,1303 420.473,1304 618.24,1305 395,1306 5} {0 CHEMBL2313888,1 1.722,2 9.739,3 4.804,4 23.082,5 90.437,6 10.578,7 0.808,8 3.711,9 3.795,10 3.584,11 3.322,12 4.903,13 3.325,14 4.184,15 4.299,16 4.006,17 3.695,18 5.361,19 3.688,20 4.334,21 4.466,22 4.052,23 3.773,24 5.499,25 3.737,26 4.334,27 4.496,28 3.824,29 3.678,30 5.435,31 3.626,32 4.258,33 4.458,34 3.721,35 3.545,36 5.312,37 3.507,38 4.162,39 4.328,40 3.654,41 3.501,42 5.274,43 3.459,44 4.055,45 4.235,46 3.692,47 3.412,48 5.136,49 3.338,50 3.857,51 4.027,52 3.718,53 3.297,54 4.933,55 3.201,56 0.069,57 0.485,58 2.594,59 2.77,60 4.918,61 2.845,62 0.229,63 0.781,64 7.325,65 4.813,66 15.319,67 4.771,68 0.361,69 0.888,70 17.604,71 6.117,72 20.925,73 6.075,74 0.368,75 0.902,76 18.634,77 6.281,78 21.989,79 6.544,80 0.27,81 0.842,82 13.859,83 5.619,84 20.922,85 6.494,86 0.324,87 0.758,88 13.428,89 4.988,90 21.945,91 4.86,92 0.287,93 0.665,94 10.423,95 4.659,96 18.184,97 5.256,98 0.209,99 0.542,100 9.672,101 4.079,102 14.455,103 4.12,104 6,105 37,106 0.307,107 0.649,108 0.771,109 0.851,110 0.851,111 0.851,112 3.189,113 0.897,114 -4.49,115 -4.41,116 -4.16,117 1,119 48.6,123 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 5,164 1,166 2,168 7,171 2,172 3,174 1,176 2,178 5,181 1,182 7,185 1,187 1,194 6,199 3,205 1,206 5,211 1,213 2,216 1,217 3,220 1,224 6,229 1,237 6,242 3,250 3,255 693,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 15.444,263 9.271,264 16.428,265 12.797,266 12.797,267 12.797,268 12.797,269 12.797,270 9.099,271 22.827,272 4.361,273 13.618,274 3.407,275 1.497,276 0.812,277 0.364,278 0.364,279 0.364,280 3.892,284 1,285 494,286 2.449,288 32.495,289 155.341,291 132.804,295 1.49,296 16.553,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 49.25,307 224,308 4.753,309 3.297,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.112,318 2.944,319 6.035,320 3.679,321 2.723,322 3.762,323 0.4,324 8.665,325 2.6,326 3.964,327 2.839,328 5.473,329 3.484,330 2.537,331 3.586,333 7.246,334 2.398,335 3.636,336 2.617,337 5.311,338 3.194,339 2.272,340 3.052,342 6.696,343 2.089,344 3.373,345 2.249,346 5.001,347 2.905,348 2.007,349 2.682,351 5.727,352 1.754,353 3.278,354 1.847,355 4.87,356 2.767,357 1.802,358 2.634,360 5.415,361 1.666,362 2.897,363 1.497,364 4.436,365 2.373,366 1.429,367 2.083,369 4.086,370 1.337,371 2.771,372 1.318,373 3.841,374 2.246,375 1.298,376 1.895,378 3.094,379 1.224,380 2.5,381 1.045,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.047,389 1,390 3.274,391 1.596,392 0.654,393 0.874,394 1.562,395 0.607,396 1.617,397 0.708,398 2.902,399 1.297,400 0.418,401 0.489,402 0.7,403 0.362,404 1.431,405 0.446,406 2.822,407 1.017,408 0.125,409 0.159,411 0.289,412 0.096,413 1.029,414 -0.04,415 2.403,416 0.537,417 -0.335,418 -0.434,420 -0.767,421 -0.237,422 0.804,423 -0.348,424 2.254,425 0.309,426 -0.652,427 -0.86,429 -1.595,430 -0.573,431 0.677,432 -0.662,433 2.233,434 0.203,435 -0.729,436 -1.063,438 -2.02,439 -0.676,440 11.7,441 0.509,442 0.516,443 0.022,444 34.5,445 1.5,446 19,447 0.826,448 15.5,449 0.674,450 15.646,451 0.68,452 22.5,453 0.643,454 21.781,455 0.947,456 6.731,457 0.293,458 4.511,459 0.196,460 0.157,462 0.342,466 0.889,467 1.182,468 0.46,469 0.789,470 0.851,471 0.749,472 1.153,473 0.933,474 0.568,475 0.715,476 0.97,477 0.722,478 1.075,479 1.097,480 1.022,481 1.004,482 0.954,483 0.975,484 1.025,485 1.166,486 0.852,487 1.049,488 1.045,489 1.094,490 0.961,491 1.072,492 0.343,493 0.785,494 0.927,495 0.852,496 1.375,497 1.011,498 0.715,499 0.843,500 1.346,501 0.956,502 0.825,503 0.944,504 0.649,505 0.886,506 0.863,507 1.002,508 0.927,509 0.937,510 1.045,511 0.997,512 1.11,513 1.054,514 4.5,515 0.046,516 2.444,517 1.639,518 1.284,519 0.553,520 0.55,521 0.293,522 0.165,523 0.141,524 5726,525 18368,526 2.168,527 34.3,529 10,531 1,532 1,536 1.658,537 2.06,538 3.254,539 -0.284,545 60.264,546 1.722,547 3.632,548 4.318,549 4.765,550 4.765,551 4.765,552 2.714,553 4.002,554 4.491,555 3.351,556 847.794,557 7.739,558 9356.57,560 1,563 179.525,564 1.302,565 4.469,566 0.173,567 0.006,568 0.066,569 0.044,570 0.041,571 0.02,572 0.021,573 0.013,574 0.009,575 0.012,576 0.406,577 0.33,578 1,579 0.7,580 106.561,581 -0.081,582 -0.16,583 0.001,584 -0.055,585 -0.125,586 -0.004,587 -0.097,588 0.088,589 0.017,590 0.086,591 -0.029,592 0.081,593 0.015,594 -0.083,595 -0.102,596 -0.094,597 0.022,598 -0.115,599 0.003,600 -0.161,601 -0.103,602 -0.165,603 -0.069,604 -0.183,605 -0.037,606 -0.068,607 0.076,608 0.033,609 0.075,610 0.114,611 -0.224,612 0.021,613 -0.077,614 0.008,615 -0.251,616 -0.069,617 0.118,618 0.042,619 0.048,620 0.007,621 0.122,622 -0.042,623 -0.063,624 0.041,625 0.051,626 0.003,627 -0.171,628 -0.079,629 1.043,630 2.445,631 0.826,632 18.495,633 1.017,634 1.109,635 3.256,636 10.605,637 0.745,638 3.296,639 3.638,640 3.951,641 4.263,642 4.554,643 4.663,644 4.852,645 5.024,646 5.024,647 5.094,648 5.518,649 0.719,650 370.22,651 3.296,652 4.844,653 5.714,654 6.608,655 7.499,656 8.403,657 9.304,658 10.213,659 11.121,660 12.033,661 8.6,669 1,671 2,674 4,675 8,676 2,678 1,680 4,682 21,692 1,697 1,698 1,699 35,700 21,701 2,702 26,703 1,704 38,705 17,706 16,707 5,708 7,710 4,711 7,721 16,722 1,735 1,736 12,737 5,738 1,739 6,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,780 1,781 1,785 23,790 1,791 1,800 1,801 5.7,806 2,808 11.167,809 6.793,810 5.028,811 1.936,812 4.272,813 1.567,814 1.046,815 3.674,816 11.804,817 3.624,818 4.327,819 5.022,820 5.723,821 6.377,822 6.804,823 7.337,824 7.862,825 8.141,826 8.53,827 0.857,828 37,829 8.419,831 3.578,832 7.656,833 16.02,835 13.06,837 2.156,838 49.583,842 129.482,843 113.608,844 97.536,846 20.507,849 159.562,850 149.989,851 51.582,852 10.883,854 66.334,855 45.342,856 62.909,857 12,858 117.711,859 45.954,860 129.482,861 165.19,862 20.507,864 45.954,865 129.482,866 20.507,869 28.773,870 102.845,871 33.571,872 45.954,873 129.482,874 72.089,875 159.562,878 129.482,879 27.773,880 85.835,881 63.965,882 54.078,883 129.482,884 72.089,885 159.562,887 0.582,888 0.346,889 0.19,890 0.112,891 20,892 8,893 0.079,894 3,895 2,896 1.211,897 3.562,898 192.908,899 0.211,900 19,901 100.042,904 14.486,905 5.834,906 2.665,907 3.052,908 72.089,909 15.058,910 8.652,912 5.945,914 3.317,916 18.011,917 361.133,918 36.5,926 35.607,927 38.831,928 0.336,929 0.708,930 0.842,931 0.929,932 0.929,933 0.929,934 4.846,935 1.298,936 5.7,937 4.086,938 4.317,939 5.014,940 1.029,941 6.532,942 4.213,943 6.086,944 1,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.72,952 7.417,953 0.654,954 8.93,955 2.275,956 5.927,957 7.37,958 0.763,959 10.583,960 5.761,961 8.787,962 0.418,963 10.653,964 1.562,965 6.33,966 8.132,968 12.376,969 6.129,970 10.191,971 0.125,972 12.415,973 0.7,974 7.828,975 10.05,976 0.597,977 15.034,978 7.628,979 11.619,980 -0.335,981 14.207,982 0.289,983 8.631,984 11.239,986 17.206,987 8.417,988 13.069,989 -0.652,990 16.021,991 -0.767,992 9.916,993 12.939,994 0.47,995 19.712,996 9.698,997 3.269,998 -0.729,999 17.853,1000 -1.595,1001 10.914,1002 14.339,1004 22.042,1005 10.689,1006 2.723,1007 11.485,1008 19.701,1009 -2.02,1010 12.118,1011 15.954,1012 0.367,1013 24.5,1014 11.886,1015 2.537,1016 8.665,1017 21.56,1018 4.851,1019 13.21,1020 17.452,1022 26.894,1023 12.971,1024 2.272,1025 7.246,1026 23.431,1027 3.762,1028 14.387,1029 19.038,1030 0.283,1031 29.338,1032 14.14,1033 2.007,1034 6.696,1035 25.31,1036 3.586,1037 15.523,1038 20.58,1040 31.758,1041 15.268,1042 1.802,1043 5.727,1044 27.197,1045 3.052,1046 16.695,1047 22.157,1048 0.217,1049 34.198,1050 16.43,1051 1.429,1052 5.415,1053 29.09,1054 2.682,1055 17.852,1056 23.718,1058 36.63,1059 17.577,1060 5424,1061 9833,1062 17.8,1063 26.085,1064 39.066,1065 39.922,1066 40.228,1067 39.191,1068 39.067,1069 55.131,1070 2.52,1071 114.479,1072 36.703,1073 5.513,1074 5.297,1075 6.412,1076 5.329,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.217,1082 8.876,1083 1.503,1084 1.535,1085 1.547,1086 1.507,1087 1.503,1088 2.12,1089 0.097,1090 4.403,1091 1.412,1092 4.183,1093 4.192,1094 6.88,1095 4.066,1096 5.259,1097 4.088,1098 3.893,1099 3.92,1100 4.166,1101 3.852,1102 4.82,1103 3.833,1104 3.656,1105 3.692,1106 3.758,1107 3.512,1108 4.743,1109 3.531,1110 3.265,1111 3.323,1112 3.59,1113 3.02,1114 4.562,1115 3.03,1116 3.069,1117 3.125,1118 3.139,1119 2.914,1120 4.21,1121 2.894,1122 3.029,1123 3.079,1124 2.967,1125 2.832,1126 4.021,1127 2.843,1128 2.854,1129 2.925,1130 2.823,1131 2.735,1132 3.746,1133 2.715,1134 2.826,1135 2.888,1136 2.687,1137 2.697,1138 3.674,1139 2.68,1140 0.183,1141 0.127,1142 0.264,1143 0.164,1144 0.126,1145 4.753,1146 0.187,1147 3.297,1148 0.033,1149 6.864,1150 0.442,1151 4.253,1152 0.124,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.942,1159 1.923,1160 2.007,1161 2.043,1162 1.147,1163 2.031,1164 1.886,1165 1.864,1166 1.963,1167 1.992,1168 1.073,1169 1.985,1170 1.707,1171 1.687,1172 1.755,1173 1.874,1174 0.79,1175 1.852,1176 1.206,1177 1.147,1178 1.564,1179 1.522,1180 0.571,1181 1.532,1182 0.981,1183 0.929,1184 1.181,1185 1.227,1186 0.22,1187 1.207,1188 0.964,1189 0.924,1190 1.169,1191 1.194,1192 0.218,1193 1.181,1194 0.886,1195 0.821,1196 1.113,1197 1.062,1198 0.185,1199 1.107,1200 0.801,1201 0.753,1202 0.971,1203 0.957,1204 0.07,1205 0.966,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.47,1213 7.066,1214 10.148,1215 3.424,1216 1.629,1223 3.267,1224 5.239,1231 25.153,1232 60.264,1233 127.119,1234 151.119,1235 166.77,1236 166.77,1237 166.77,1238 25.207,1239 7.532,1240 60.18,1241 60.18,1242 23,1243 12.548,1244 4.459,1245 3.524,1246 31.844,1247 75,1248 83,1249 0.212,1250 158.209,1251 255.72,1252 377.791,1253 18496,1254 2.9,1255 15.811,1256 0.687,1257 0.6,1258 16.811,1259 13.794,1260 11.242,1261 0.432,1262 0.299,1263 6.913,1264 10.204,1265 6.709,1266 5.55,1267 11.819,1268 7.776,1269 10.127,1270 0.274,1271 0.16,1272 10.944,1273 5.912,1274 8.891,1275 0.174,1276 0.08,1277 9.469,1278 4.095,1279 7.518,1280 0.107,1281 0.039,1282 7.851,1283 2.705,1284 6.568,1285 0.07,1286 0.021,1287 7.039,1288 1.965,1289 0.326,1290 79.069,1291 0.237,1292 22.349,1293 0.599,1294 126,1295 391.749,1296 204.563,1297 412.706,1298 565.98,1299 388,1300 151,1301 403.735,1302 193.066,1303 420.473,1304 618.24,1305 395,1306 5} {0 CHEMBL2313889,1 1.722,2 9.739,3 4.72,4 22.282,5 87.619,6 9.308,7 0.808,8 3.713,9 3.797,10 3.475,11 3.304,12 4.92,13 3.318,14 4.187,15 4.302,16 3.861,17 3.67,18 5.387,19 3.678,20 4.339,21 4.471,22 3.901,23 3.741,24 5.532,25 3.726,26 4.337,27 4.5,28 3.724,29 3.656,30 5.457,31 3.618,32 4.259,33 4.459,34 3.611,35 3.536,36 5.328,37 3.503,38 4.165,39 4.331,40 3.544,41 3.48,42 5.292,43 3.451,44 4.059,45 4.239,46 3.469,47 3.385,48 5.172,49 3.326,50 3.864,51 4.032,52 3.362,53 3.251,54 5.001,55 3.179,56 0.081,57 0.492,58 4.26,59 2.763,60 5.04,61 2.863,62 0.249,63 0.783,64 9.245,65 4.672,66 16.24,67 4.745,68 0.394,69 0.884,70 13.872,71 5.582,72 23.896,73 5.877,74 0.402,75 0.896,76 14.836,77 5.816,78 24.522,79 6.382,80 0.302,81 0.836,82 14.008,83 5.498,84 22.766,85 6.514,86 0.35,87 0.752,88 12.169,89 4.674,90 23.525,91 4.78,92 0.313,93 0.658,94 10.932,95 4.481,96 20.466,97 5.241,98 0.252,99 0.535,100 9.336,101 3.718,102 17.505,103 4.066,104 6,105 37,106 0.307,107 0.649,108 0.771,109 0.851,110 0.851,111 0.851,112 3.189,113 0.849,114 -4.37,115 -4.3,116 -4.06,119 48.6,123 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 5,164 1,166 2,168 7,171 2,172 3,174 1,176 2,178 5,181 1,182 7,185 1,187 1,194 6,199 3,205 1,206 5,211 1,213 2,216 1,217 3,220 1,224 6,229 1,237 6,242 3,250 3,255 693,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 15.401,263 9.271,264 16.4,265 12.797,266 12.797,267 12.797,268 12.797,269 12.797,270 9.099,271 22.792,272 4.361,273 13.56,274 3.407,275 1.497,276 0.812,277 0.364,278 0.364,279 0.364,280 3.892,281 1,284 1,285 494,286 2.449,288 32.495,289 155.341,291 132.804,295 1.49,296 18.604,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 49.833,307 224,308 4.753,309 3.297,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.112,318 2.965,319 6.035,320 3.68,321 2.723,322 3.762,323 0.4,324 8.665,325 2.603,326 3.964,327 2.848,328 5.473,329 3.487,330 2.537,331 3.586,333 7.246,334 2.406,335 3.636,336 2.624,337 5.311,338 3.196,339 2.272,340 3.052,342 6.696,343 2.094,344 3.373,345 2.253,346 5.001,347 2.915,348 2.007,349 2.682,351 5.727,352 1.765,353 3.278,354 1.848,355 4.87,356 2.768,357 1.802,358 2.634,360 5.415,361 1.712,362 2.897,363 1.498,364 4.436,365 2.373,366 1.429,367 2.083,369 4.086,370 1.341,371 2.771,372 1.318,373 3.841,374 2.246,375 1.298,376 1.895,378 3.094,379 1.225,380 2.5,381 1.046,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.047,389 1,390 3.274,391 1.597,392 0.654,393 0.874,394 1.562,395 0.609,396 1.617,397 0.717,398 2.902,399 1.298,400 0.418,401 0.489,402 0.7,403 0.364,404 1.431,405 0.458,406 2.822,407 1.023,408 0.125,409 0.159,411 0.289,412 0.103,413 1.029,414 -0.033,415 2.403,416 0.545,417 -0.335,418 -0.434,420 -0.767,421 -0.261,422 0.804,423 -0.347,424 2.254,425 0.309,426 -0.652,427 -0.86,429 -1.595,430 -0.588,431 0.677,432 -0.658,433 2.233,434 0.205,435 -0.729,436 -1.063,438 -2.02,439 -0.68,440 11.081,441 0.482,442 0.516,443 0.022,444 34.75,445 1.511,446 19,447 0.826,448 15.75,449 0.685,450 14.344,451 0.624,452 23.119,453 0.661,454 23.084,455 1.004,456 7.002,457 0.304,458 4.239,459 0.184,460 0.11,462 0.361,466 0.85,467 1.208,468 0.534,469 0.905,470 0.777,471 0.776,472 1.1,473 0.964,474 0.649,475 0.798,476 0.873,477 0.746,478 1.086,479 1.101,480 1.01,481 1,482 0.987,483 0.968,484 1.014,485 1.159,486 1.008,487 1.095,488 1.026,489 1.097,490 0.875,491 1.055,492 0.616,493 0.902,494 0.771,495 0.881,496 1.309,497 1.015,498 0.971,499 0.899,500 1.222,501 0.97,502 0.786,503 0.935,504 0.816,505 0.964,506 0.773,507 1.03,508 0.897,509 0.958,510 1.025,511 0.994,512 1.032,513 1.071,514 4.5,515 0.046,516 2.444,517 1.639,518 1.284,519 0.553,520 0.55,521 0.293,522 0.165,523 0.141,524 5726,525 18368,526 2.168,527 34.3,529 10,531 1,532 1,536 1.658,537 2.06,538 3.254,539 -0.284,545 60.264,546 1.722,547 3.632,548 4.318,549 4.765,550 4.765,551 4.765,552 2.714,553 4.002,554 4.491,555 3.351,556 847.794,557 7.739,558 9356.57,560 1,563 179.525,564 1.302,565 4.469,566 0.173,567 0.006,568 0.066,569 0.044,570 0.041,571 0.02,572 0.021,573 0.013,574 0.009,575 0.012,576 0.406,577 0.33,578 1,579 0.7,580 106.561,581 -0.081,582 -0.167,583 0.022,584 -0.072,585 -0.122,586 -0.004,587 -0.098,588 0.068,589 0.041,590 0.077,591 -0.02,592 0.077,593 -0.015,594 -0.083,595 -0.128,596 -0.09,597 -0.026,598 -0.107,599 -0.02,600 -0.153,601 -0.159,602 -0.169,603 -0.107,604 -0.175,605 -0.013,606 -0.051,607 0.134,608 0.038,609 0.09,610 0.115,611 -0.221,612 0.016,613 -0.166,614 0.015,615 -0.241,616 -0.067,617 0.127,618 0.051,619 0.036,620 -0.011,621 0.144,622 -0.055,623 -0.005,624 0.02,625 -0.012,626 -0.021,627 -0.054,628 -0.103,629 1.064,630 2.428,631 0.826,632 18.495,633 1.02,634 1.112,635 3.14,636 9.858,637 0.731,638 3.296,639 3.638,640 3.951,641 4.263,642 4.554,643 4.663,644 4.852,645 5.024,646 5.024,647 5.094,648 5.518,649 0.713,650 325.77,651 3.296,652 4.844,653 5.714,654 6.608,655 7.499,656 8.403,657 9.304,658 10.213,659 11.121,660 12.033,661 8.6,669 1,671 2,674 4,675 8,676 2,678 1,680 4,682 21,692 1,697 1,698 1,699 35,700 21,701 2,702 26,704 38,705 17,706 16,707 5,708 7,710 4,711 7,712 1,721 16,722 1,735 1,736 12,737 5,738 1,739 6,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,782 1,785 23,790 1,791 1,800 1,801 5.7,806 2,808 11.167,809 6.793,810 5.028,811 1.936,812 4.272,813 1.567,814 1.04,815 3.558,816 11.804,817 3.624,818 4.327,819 5.022,820 5.723,821 6.377,822 6.804,823 7.337,824 7.862,825 8.141,826 8.53,827 0.857,828 37,829 8.411,831 3.59,832 7.715,833 15.91,835 12.975,837 2.215,838 50.944,842 129.482,843 114.054,844 51.582,845 39.149,846 20.507,849 114.054,850 189.138,851 51.582,852 10.883,854 66.334,855 45.342,856 63.354,857 12,858 117.711,859 39.149,860 129.482,861 165.635,862 20.507,863 39.149,865 129.482,866 20.507,869 28.773,870 103.291,871 72.72,873 129.482,874 72.089,875 153.202,878 129.482,879 28.218,880 85.835,881 18.011,882 93.227,883 129.482,884 72.089,885 153.202,887 0.582,888 0.346,889 0.19,890 0.112,891 20,892 8,893 0.079,894 3,895 2,896 1.211,897 3.562,898 192.908,899 0.211,900 19,901 100.042,904 14.304,905 5.722,906 2.603,907 2.987,908 72.089,909 14.537,910 8.617,912 5.928,914 2.885,916 18.011,917 354.773,918 36.5,926 35.702,927 38.934,928 0.336,929 0.708,930 0.842,931 0.929,932 0.929,933 0.929,934 4.846,935 1.298,936 5.7,937 4.086,938 4.317,939 5.014,940 1.029,941 6.532,942 4.219,943 6.086,944 1,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.734,952 7.417,953 0.654,954 8.93,955 2.275,956 5.927,957 7.37,958 0.763,959 10.583,960 5.768,961 8.787,962 0.418,963 10.653,964 1.562,965 6.33,966 8.132,968 12.376,969 6.139,970 10.191,971 0.125,972 12.415,973 0.7,974 7.828,975 10.05,976 0.597,977 15.034,978 7.634,979 11.619,980 -0.335,981 14.207,982 0.289,983 8.631,984 11.239,986 17.206,987 8.423,988 13.069,989 -0.652,990 16.021,991 -0.767,992 9.916,993 12.939,994 0.47,995 19.712,996 9.702,997 3.269,998 -0.729,999 17.853,1000 -1.595,1001 10.914,1002 14.339,1004 22.042,1005 10.693,1006 2.723,1007 11.485,1008 19.701,1009 -2.02,1010 12.118,1011 15.954,1012 0.367,1013 24.5,1014 11.889,1015 2.537,1016 8.665,1017 21.56,1018 4.851,1019 13.21,1020 17.452,1022 26.894,1023 12.974,1024 2.272,1025 7.246,1026 23.431,1027 3.762,1028 14.387,1029 19.038,1030 0.283,1031 29.338,1032 14.142,1033 2.007,1034 6.696,1035 25.31,1036 3.586,1037 15.523,1038 20.58,1040 31.758,1041 15.27,1042 1.802,1043 5.727,1044 27.197,1045 3.052,1046 16.695,1047 22.157,1048 0.217,1049 34.198,1050 16.431,1051 1.429,1052 5.415,1053 29.09,1054 2.682,1055 17.852,1056 23.718,1058 36.63,1059 17.579,1060 5424,1061 9833,1062 17.8,1063 25.591,1064 39.066,1065 39.976,1066 40.228,1067 39.151,1068 39.067,1069 55.131,1070 2.52,1071 114.479,1072 36.874,1073 5.513,1074 5.297,1075 6.412,1076 5.329,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.217,1082 8.876,1083 1.503,1084 1.538,1085 1.547,1086 1.506,1087 1.503,1088 2.12,1089 0.097,1090 4.403,1091 1.418,1092 4.183,1093 4.192,1094 4.169,1095 4.065,1096 5.259,1097 4.088,1098 3.895,1099 3.921,1100 3.983,1101 3.835,1102 4.945,1103 3.828,1104 3.657,1105 3.692,1106 3.632,1107 3.51,1108 4.801,1109 3.531,1110 3.265,1111 3.323,1112 3.351,1113 3.005,1114 4.567,1115 3.027,1116 3.071,1117 3.128,1118 3.124,1119 2.873,1120 4.387,1121 2.884,1122 3.032,1123 3.08,1124 2.949,1125 2.831,1126 4.17,1127 2.84,1128 2.854,1129 2.925,1130 2.756,1131 2.735,1132 3.912,1133 2.715,1134 2.827,1135 2.889,1136 2.687,1137 2.691,1138 3.674,1139 2.678,1140 0.183,1141 0.127,1142 0.264,1143 0.164,1144 0.126,1145 4.753,1146 0.187,1147 3.297,1148 0.033,1149 6.864,1150 0.442,1151 4.253,1152 0.124,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.942,1159 1.923,1160 2.008,1161 2.044,1162 1.147,1163 2.032,1164 1.885,1165 1.862,1166 1.972,1167 1.994,1168 1.063,1169 1.986,1170 1.707,1171 1.686,1172 1.757,1173 1.877,1174 0.789,1175 1.853,1176 1.206,1177 1.147,1178 1.564,1179 1.522,1180 0.571,1181 1.532,1182 0.978,1183 0.928,1184 1.181,1185 1.227,1186 0.218,1187 1.209,1188 0.963,1189 0.92,1190 1.169,1191 1.201,1192 0.207,1193 1.183,1194 0.886,1195 0.821,1196 1.124,1197 1.062,1198 0.184,1199 1.107,1200 0.8,1201 0.751,1202 0.972,1203 0.958,1204 0.063,1205 0.967,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.47,1213 7.066,1214 10.148,1216 1.622,1217 5.908,1223 3.229,1224 5.231,1231 24.955,1232 60.264,1233 127.119,1234 151.119,1235 166.77,1236 166.77,1237 166.77,1238 26.059,1239 7.532,1240 60.18,1241 60.18,1242 23,1243 12.548,1244 4.459,1245 3.524,1246 31.844,1247 75,1248 83,1249 0.212,1250 154.628,1251 251.65,1252 369.053,1253 18496,1254 2.9,1255 15.811,1256 0.687,1257 0.564,1258 16.311,1259 12.964,1260 11.242,1261 0.432,1262 0.283,1263 6.894,1264 10.469,1265 6.709,1266 5.55,1267 11.53,1268 7.361,1269 10.127,1270 0.274,1271 0.147,1272 10.536,1273 5.432,1274 8.891,1275 0.174,1276 0.075,1277 9.18,1278 3.819,1279 7.518,1280 0.107,1281 0.037,1282 7.684,1283 2.567,1284 6.568,1285 0.07,1286 0.019,1287 6.803,1288 1.816,1289 0.326,1290 73.873,1291 0.237,1292 22.349,1293 0.599,1294 126,1295 399.298,1296 154.212,1297 412.706,1298 565.98,1299 388,1300 151,1301 406.864,1302 174.561,1303 420.473,1304 618.24,1305 395,1306 5} {0 CHEMBL2313890,1 1.722,2 9.174,3 4.72,4 22.282,5 87.619,6 9.308,7 0.808,8 3.713,9 3.797,10 3.475,11 3.304,12 4.92,13 3.318,14 4.187,15 4.302,16 3.861,17 3.67,18 5.387,19 3.678,20 4.339,21 4.471,22 3.901,23 3.741,24 5.525,25 3.726,26 4.338,27 4.5,28 3.797,29 3.661,30 5.479,31 3.629,32 4.267,33 4.458,34 3.611,35 3.564,36 5.342,37 3.522,38 4.166,39 4.331,40 3.63,41 3.486,42 5.319,43 3.464,44 4.066,45 4.238,46 3.568,47 3.409,48 5.215,49 3.354,50 3.869,51 4.031,52 3.353,53 3.269,54 5.012,55 3.189,56 0.081,57 0.492,58 4.26,59 2.763,60 5.04,61 2.863,62 0.249,63 0.783,64 9.245,65 4.672,66 16.244,67 4.745,68 0.394,69 0.884,70 13.872,71 5.582,72 23.792,73 5.877,74 0.412,75 0.892,76 14.391,77 5.778,78 24.41,79 6.411,80 0.309,81 0.829,82 15.813,83 5.634,84 24.293,85 6.432,86 0.36,87 0.748,88 11.724,89 4.635,90 24.086,91 4.809,92 0.344,93 0.656,94 11.512,95 4.55,96 21.513,97 5.224,98 0.237,99 0.525,100 10.116,101 3.747,102 17.981,103 4.03,104 6,105 37,106 0.307,107 0.649,108 0.791,109 0.892,110 0.892,111 0.892,112 3.189,113 0.849,114 -4.37,115 -4.3,116 -4.06,119 48.6,123 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 5,164 1,166 2,168 8,171 2,172 3,174 1,176 1,178 3,181 1,182 7,185 1,187 3,190 1,194 5,199 2,205 1,206 6,211 1,213 2,216 1,217 3,220 1,224 5,229 2,237 6,242 2,250 5,255 684,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 15.401,263 9.304,264 16.4,265 12.813,266 12.813,267 12.813,268 12.813,269 12.813,270 9.105,271 24.058,272 4.376,273 13.568,274 3.407,275 1.497,276 0.697,277 0.136,278 0.136,279 0.136,280 3.892,281 1,284 1,285 464,286 2.449,288 32.073,289 154.107,291 131.068,295 1.501,296 18.788,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 49.833,307 211,308 4.753,309 3.298,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.124,318 3.001,319 6.036,320 3.692,321 2.738,322 3.77,323 0.4,324 8.678,325 2.607,326 3.98,327 2.84,328 5.526,329 3.502,330 2.552,331 3.61,333 7.437,334 2.415,335 3.628,336 2.589,337 5.342,338 3.189,339 2.259,340 3.045,342 6.771,343 2.093,344 3.305,345 2.207,346 4.997,347 2.833,348 1.921,349 2.657,351 5.57,352 1.754,353 3.245,354 1.845,355 4.757,356 2.753,357 1.793,358 2.517,360 5.222,361 1.648,362 2.896,363 1.502,364 4.414,365 2.372,366 1.429,367 2.082,369 4.051,370 1.335,371 2.775,372 1.328,373 3.841,374 2.25,375 1.302,376 1.901,378 3.094,379 1.226,380 2.654,381 1.237,382 3.483,383 2.158,384 1.177,385 1.727,386 2.594,387 1.135,388 2.038,389 1.034,390 3.266,391 1.584,392 0.639,393 0.857,394 1.519,395 0.598,396 1.609,397 0.598,398 2.885,399 1.29,400 0.404,401 0.477,402 0.672,403 0.356,404 1.303,405 0.212,406 2.819,407 0.909,408 -0.031,409 -0.041,411 -0.081,412 -0.029,413 0.947,414 0.09,415 2.403,416 0.45,417 -0.405,418 -0.512,420 -0.902,421 -0.257,422 0.813,423 -0.318,424 2.253,425 0.337,426 -0.563,427 -0.742,429 -1.366,430 -0.513,431 0.795,432 -0.573,433 2.232,434 0.281,435 -0.687,436 -0.974,438 -1.921,439 -0.664,440 11.081,441 0.482,442 0.516,443 0.022,444 34.75,445 1.511,446 19,447 0.826,448 15.75,449 0.685,450 14.443,451 0.628,452 23.119,453 0.661,454 23.128,455 1.006,456 7.002,457 0.304,458 4.239,459 0.184,460 0.11,462 0.361,466 0.85,467 1.208,468 0.534,469 0.905,470 0.777,471 0.776,472 1.1,473 0.964,474 0.649,475 0.798,476 0.871,477 0.746,478 1.086,479 1.101,480 1.01,481 1,482 1.022,483 0.968,484 0.928,485 1.164,486 0.89,487 1.064,488 0.89,489 1.048,490 1.076,491 1.04,492 0.966,493 0.968,494 1.057,495 0.942,496 1.206,497 1.021,498 0.829,499 0.862,500 1.072,501 0.911,502 0.754,503 0.915,504 0.867,505 0.96,506 0.763,507 0.994,508 1.104,509 0.968,510 1.304,511 1.047,512 1.283,513 1.129,514 4.5,515 0.061,516 2.222,517 1.889,518 1.204,519 0.553,520 0.551,521 0.228,522 0.21,523 0.076,524 5650,525 17856,526 2.168,527 34.3,529 10,531 1,532 1,536 1.659,537 2.06,538 3.195,539 -0.284,545 60.264,546 1.722,547 3.632,548 4.432,549 4.993,550 4.993,551 4.993,552 2.674,553 4.176,554 4.493,555 3.312,556 837.844,557 7.746,558 9241.33,560 1,563 179.525,564 1.302,565 4.469,566 0.173,567 0.008,568 0.06,569 0.051,570 0.038,571 0.02,572 0.02,573 0.01,574 0.012,575 0.007,576 0.398,577 0.33,578 1,579 0.7,580 106.281,581 -0.081,582 -0.167,583 0.022,584 -0.072,585 -0.122,586 -0.004,587 -0.098,588 0.068,589 0.041,590 0.077,591 -0.017,592 0.077,593 -0.015,594 -0.083,595 -0.128,596 -0.09,597 -0.062,598 -0.107,599 0.068,600 -0.158,601 -0.037,602 -0.136,603 0.033,604 -0.125,605 -0.149,606 -0.044,607 -0.05,608 -0.008,609 -0.097,610 0.045,611 -0.114,612 0.01,613 -0.02,614 0.054,615 -0.086,616 -0.007,617 0.206,618 0.067,619 0.093,620 0.006,621 0.22,622 -0.023,623 -0.164,624 0.003,625 -0.166,626 -0.059,627 -0.231,628 -0.169,629 1.076,630 2.428,631 0.826,632 18.053,633 1.02,634 1.112,635 3.14,636 9.858,637 0.731,638 3.296,639 3.638,640 3.951,641 4.277,642 4.543,643 4.673,644 4.852,645 5.024,646 5.03,647 5.1,648 5.42,649 0.713,650 325.77,651 3.296,652 4.844,653 5.714,654 6.611,655 7.501,656 8.407,657 9.307,658 10.219,659 11.124,660 12.04,661 8.6,669 1,671 2,674 4,675 8,676 2,678 1,680 4,682 21,692 1,697 1,698 1,699 35,700 21,701 2,702 26,704 38,705 17,706 16,707 5,708 7,710 4,711 7,712 1,721 16,722 1,735 1,736 12,737 5,738 1,739 6,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,782 1,785 23,790 1,791 1,800 1,801 5.7,806 2,808 11.167,809 6.793,810 5.028,811 1.936,812 4.282,813 1.569,814 1.04,815 3.558,816 11.814,817 3.624,818 4.327,819 5.022,820 5.731,821 6.369,822 6.809,823 7.337,824 7.862,825 8.144,826 8.534,827 1,828 37,829 8.413,831 3.593,832 7.715,833 15.91,835 12.975,837 2.215,838 50.944,842 129.482,843 114.054,844 51.582,845 39.149,846 20.507,849 114.054,850 189.138,851 51.582,852 10.883,854 66.334,855 45.342,856 63.354,857 12,858 117.711,859 39.149,860 129.482,861 165.635,862 20.507,863 39.149,865 129.482,866 20.507,869 28.773,870 103.291,871 72.72,873 129.482,874 72.089,875 153.202,878 129.482,879 28.218,880 85.835,881 18.011,882 93.227,883 129.482,884 72.089,885 153.202,887 0.58,888 0.345,889 0.195,890 0.11,891 20,892 8,893 0.079,894 3,895 2,896 1.211,897 3.548,898 193.597,899 0.211,900 19,901 104.042,904 14.304,905 5.722,906 2.603,907 2.962,908 72.089,909 14.559,910 8.612,912 5.928,914 2.798,916 18.011,917 354.773,918 36.5,926 35.702,927 38.934,928 0.336,929 0.708,930 0.864,931 0.974,932 0.974,933 0.974,934 4.846,935 1.302,936 5.7,937 4.051,938 4.317,939 5.014,940 1.029,941 6.535,942 4.219,943 6.086,944 1.177,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.734,952 7.417,953 0.639,954 8.93,955 2.594,956 5.927,957 7.37,958 0.763,959 10.592,960 5.768,961 8.787,962 0.404,963 10.654,964 1.519,965 6.33,966 8.132,968 12.382,969 6.139,970 10.191,971 -0.031,972 12.418,973 0.672,974 7.831,975 10.051,976 0.597,977 15.043,978 7.635,979 11.62,980 -0.405,981 14.21,982 -0.081,983 8.636,984 11.242,986 17.212,987 8.426,988 13.07,989 -0.563,990 16.025,991 -0.902,992 9.922,993 12.942,994 0.47,995 19.719,996 9.704,997 3.269,998 -0.687,999 17.858,1000 -1.366,1001 10.922,1002 14.343,1004 22.047,1005 10.696,1006 2.738,1007 11.485,1008 19.706,1009 -1.921,1010 12.126,1011 15.958,1012 0.367,1013 24.504,1014 11.892,1015 2.552,1016 8.678,1017 21.566,1018 4.851,1019 13.218,1020 17.455,1022 26.897,1023 12.977,1024 2.259,1025 7.437,1026 23.437,1027 3.77,1028 14.395,1029 19.041,1030 0.283,1031 29.34,1032 14.145,1033 1.921,1034 6.771,1035 25.316,1036 3.61,1037 15.531,1038 20.582,1040 31.76,1041 15.272,1042 1.793,1043 5.57,1044 27.202,1045 3.045,1046 16.702,1047 22.159,1048 0.217,1049 34.2,1050 16.433,1051 1.429,1052 5.222,1053 29.095,1054 2.657,1055 17.859,1056 23.72,1058 36.631,1059 17.58,1060 5354,1061 9641,1062 17.8,1063 25.591,1064 39.129,1065 39.615,1066 40.209,1067 39.106,1068 38.969,1069 54.99,1070 2.52,1071 114.186,1072 36.768,1073 5.514,1074 5.298,1075 6.422,1076 5.33,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.217,1082 8.756,1083 1.505,1084 1.524,1085 1.547,1086 1.504,1087 1.499,1088 2.115,1089 0.097,1090 4.392,1091 1.414,1092 4.183,1093 4.192,1094 4.169,1095 4.065,1096 5.26,1097 4.088,1098 3.895,1099 3.921,1100 3.985,1101 3.835,1102 4.944,1103 3.828,1104 3.657,1105 3.693,1106 3.628,1107 3.509,1108 4.8,1109 3.53,1110 3.264,1111 3.323,1112 3.334,1113 3.001,1114 4.567,1115 3.024,1116 3.067,1117 3.129,1118 3.131,1119 2.856,1120 4.376,1121 2.873,1122 3.027,1123 3.08,1124 2.968,1125 2.83,1126 4.183,1127 2.833,1128 2.877,1129 2.921,1130 2.853,1131 2.782,1132 3.974,1133 2.76,1134 2.825,1135 2.889,1136 2.676,1137 2.686,1138 3.708,1139 2.674,1140 0.183,1141 0.127,1142 0.264,1143 0.164,1144 0.126,1145 4.753,1146 0.187,1147 3.298,1148 0.033,1149 6.864,1150 0.442,1151 4.253,1152 0.124,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.942,1159 1.923,1160 2.008,1161 2.043,1162 1.147,1163 2.031,1164 1.885,1165 1.862,1166 1.972,1167 1.993,1168 1.063,1169 1.986,1170 1.707,1171 1.686,1172 1.759,1173 1.878,1174 0.789,1175 1.854,1176 1.206,1177 1.147,1178 1.564,1179 1.522,1180 0.571,1181 1.532,1182 0.986,1183 0.928,1184 1.193,1185 1.232,1186 0.246,1187 1.224,1188 0.965,1189 0.918,1190 1.168,1191 1.215,1192 0.186,1193 1.192,1194 0.867,1195 0.824,1196 1.066,1197 1.011,1198 0.153,1199 1.052,1200 0.803,1201 0.751,1202 0.975,1203 0.962,1204 0.079,1205 0.971,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.472,1213 7.066,1214 10.151,1216 1.621,1217 6.017,1223 3.217,1224 5.231,1231 24.955,1232 60.264,1233 127.119,1234 155.119,1235 174.77,1236 174.77,1237 174.77,1238 26.225,1239 7.532,1240 60.18,1241 60.18,1242 23,1243 12.553,1244 4.459,1245 3.524,1246 31.802,1247 74,1248 78,1249 0.215,1250 154.628,1251 251.65,1252 369.053,1253 18496,1254 2.9,1255 15.811,1256 0.687,1257 0.564,1258 16.311,1259 12.964,1260 11.242,1261 0.432,1262 0.283,1263 6.894,1264 10.469,1265 6.708,1266 5.552,1267 11.53,1268 7.361,1269 10.139,1270 0.274,1271 0.147,1272 10.547,1273 5.436,1274 8.801,1275 0.173,1276 0.074,1277 9.063,1278 3.782,1279 7.727,1280 0.109,1281 0.038,1282 7.995,1283 2.664,1284 6.416,1285 0.069,1286 0.019,1287 6.582,1288 1.76,1289 0.329,1290 73.873,1291 0.237,1292 22.274,1293 0.612,1294 126,1295 399.298,1296 154.212,1297 412.771,1298 566,1299 388,1300 151,1301 406.864,1302 174.561,1303 420.61,1304 618.53,1305 395,1306 5} {0 CHEMBL2313891,1 1.722,2 9.13,3 4.72,4 22.282,5 87.619,6 9.308,7 0.808,8 3.713,9 3.797,10 3.475,11 3.304,12 4.921,13 3.318,14 4.187,15 4.302,16 3.861,17 3.67,18 5.379,19 3.678,20 4.34,21 4.471,22 3.962,23 3.746,24 5.546,25 3.735,26 4.345,27 4.499,28 3.797,29 3.686,30 5.491,31 3.645,32 4.268,33 4.458,34 3.692,35 3.57,36 5.368,37 3.534,38 4.172,39 4.33,40 3.715,41 3.508,42 5.356,43 3.488,44 4.07,45 4.237,46 3.561,47 3.425,48 5.224,49 3.363,50 3.855,51 4.034,52 3.219,53 3.236,54 4.936,55 3.154,56 0.081,57 0.492,58 4.26,59 2.763,60 5.045,61 2.863,62 0.249,63 0.783,64 9.245,65 4.672,66 16.141,67 4.745,68 0.405,69 0.879,70 13.427,71 5.544,72 23.68,73 5.906,74 0.419,75 0.885,76 16.197,77 5.913,78 25.937,79 6.329,80 0.319,81 0.824,82 15.368,83 5.596,84 24.855,85 6.461,86 0.391,87 0.746,88 12.304,89 4.704,90 25.133,91 4.792,92 0.329,93 0.646,94 12.293,95 4.578,96 21.989,97 5.188,98 0.201,99 0.54,100 8.508,101 3.675,102 15.057,103 4.066,104 6,105 37,106 0.307,107 0.649,108 0.781,109 0.881,110 0.892,111 0.892,112 3.19,113 0.85,114 -4.37,115 -4.3,116 -4.06,119 48.6,123 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 5,161 1,162 5,164 1,166 1,168 6,171 2,172 3,174 1,176 3,178 4,181 1,182 6,185 1,187 2,190 1,194 6,199 2,205 1,206 6,211 1,213 1,216 1,217 4,220 1,224 5,229 1,237 8,242 1,250 5,255 675,256 15.955,257 15.955,258 15.955,259 15.955,260 15.955,261 13.497,262 13.734,263 9.327,264 16.425,265 12.791,266 12.791,267 12.791,268 12.791,269 12.791,270 9.079,271 19.982,272 4.356,273 13.517,274 3.407,275 1.497,276 0.754,277 0.193,278 0.136,279 0.136,280 3.892,281 1,284 1,285 462,286 2.449,288 31.697,289 153.047,291 129.558,295 1.452,296 19.081,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 49.833,307 210,308 4.753,309 3.312,310 6.865,311 4.254,312 3.27,313 4.851,314 0.86,315 11.488,316 3.217,317 4.201,318 3.151,319 6.124,320 3.768,321 2.833,322 3.83,323 0.4,324 8.956,325 2.636,326 4.015,327 2.828,328 5.915,329 3.537,330 2.585,331 3.672,333 8.181,334 2.444,335 3.617,336 2.501,337 5.371,338 3.178,339 2.241,340 3.036,342 6.824,343 2.091,344 3.288,345 1.949,346 4.995,347 2.782,348 1.82,349 2.654,351 5.511,352 1.75,353 2.96,354 1.789,355 4.534,356 2.512,357 1.548,358 2.149,360 4.388,361 1.49,362 2.872,363 1.547,364 4.113,365 2.355,366 1.414,367 2.046,369 3.549,370 1.309,371 2.84,372 1.413,373 3.841,374 2.309,375 1.377,376 1.985,378 3.091,379 1.238,380 2.731,381 1.297,382 3.599,383 2.224,384 1.264,385 1.836,386 2.96,387 1.199,388 2.044,389 1.034,390 3.263,391 1.591,392 0.645,393 0.867,394 1.53,395 0.604,396 1.617,397 0.638,398 2.888,399 1.297,400 0.414,401 0.487,402 0.694,403 0.362,404 1.43,405 0.431,406 2.82,407 1.023,408 0.123,409 0.157,411 0.282,412 0.102,413 1.02,414 -0.033,415 2.403,416 0.535,417 -0.339,418 -0.437,420 -0.774,421 -0.261,422 0.804,423 -0.344,424 2.254,425 0.312,426 -0.64,427 -0.844,429 -1.522,430 -0.571,431 0.721,432 -0.622,433 2.233,434 0.232,435 -0.709,436 -1.032,438 -1.932,439 -0.673,440 11.081,441 0.482,442 0.5,443 0.022,444 34.75,445 1.511,446 19,447 0.826,448 15.75,449 0.685,450 14.579,451 0.634,452 23.119,453 0.661,454 23.186,455 1.008,456 7.017,457 0.305,458 4.241,459 0.184,460 0.11,462 0.361,466 0.85,467 1.208,468 0.534,469 0.905,470 0.773,471 0.776,472 1.1,473 0.964,474 0.649,475 0.798,476 0.911,477 0.746,478 0.999,479 1.106,480 0.89,481 0.968,482 0.884,483 0.919,484 1.118,485 1.15,486 1.221,487 1.126,488 1.159,489 1.106,490 0.985,491 1.046,492 0.841,493 0.934,494 0.924,495 0.891,496 1.176,497 1.002,498 0.875,499 0.858,500 1.063,501 0.878,502 0.923,503 0.924,504 1.095,505 1.004,506 0.968,507 1.041,508 1.038,509 0.955,510 0.993,511 0.921,512 1.076,513 1.077,514 4,515 0.041,516 2.667,517 1.764,518 1.284,519 0.608,520 0.492,521 0.337,522 0.127,523 0.105,524 5574,525 17344,526 2.168,527 34.3,529 10,531 1,532 1,536 1.66,537 2.06,538 3.172,539 -0.284,545 60.264,546 1.722,547 3.632,548 4.375,549 4.936,550 4.993,551 4.993,552 2.653,553 4.176,554 4.494,555 3.283,556 830.594,557 7.751,558 9123.24,560 1,563 179.525,564 1.302,565 4.469,566 0.154,567 0.006,568 0.072,569 0.046,570 0.04,571 0.021,572 0.018,573 0.015,574 0.007,575 0.01,576 0.389,577 0.33,578 1,579 0.7,580 105.984,581 -0.081,582 -0.167,583 0.022,584 -0.072,585 -0.117,586 -0.004,587 -0.098,588 0.068,589 0.041,590 0.077,591 -0.059,592 0.077,593 0.074,594 -0.088,595 -0.005,596 -0.057,597 0.08,598 -0.056,599 -0.06,600 -0.152,601 -0.211,602 -0.179,603 -0.144,604 -0.192,605 -0.055,606 -0.05,607 0.079,608 0.027,609 0.039,610 0.098,611 -0.043,612 0.024,613 0.033,614 0.069,615 -0.016,616 0.023,617 0.075,618 0.053,619 -0.033,620 -0.025,621 0.075,622 -0.076,623 -0.204,624 0.03,625 -0.112,626 0.037,627 -0.181,628 -0.103,629 1.099,630 2.428,631 0.826,632 17.611,633 1.02,634 1.112,635 3.14,636 9.858,637 0.731,638 3.296,639 3.638,640 3.97,641 4.277,642 4.554,643 4.673,644 4.86,645 5.03,646 5.043,647 5.094,648 5.333,649 0.713,650 325.77,651 3.296,652 4.844,653 5.72,654 6.616,655 7.513,656 8.418,657 9.323,658 10.234,659 11.144,660 12.058,661 8.6,669 1,671 2,674 4,675 8,676 2,678 1,680 4,682 21,692 1,697 1,698 1,699 35,700 21,701 2,702 26,704 38,705 17,706 16,707 5,708 7,710 4,711 7,712 1,721 16,722 1,735 1,736 12,737 5,738 1,739 6,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,782 1,785 23,790 1,791 1,800 1,801 5.7,806 2,808 11.167,809 6.793,810 5.056,811 1.943,812 4.314,813 1.573,814 1.04,815 3.558,816 11.846,817 3.624,818 4.327,819 5.032,820 5.728,821 6.373,822 6.808,823 7.342,824 7.865,825 8.151,826 8.529,827 1,828 38,829 8.416,831 3.599,832 7.715,833 15.91,835 12.979,837 2.215,838 50.944,842 129.482,843 114.054,844 51.582,845 39.149,846 20.507,849 114.054,850 189.138,851 51.582,852 10.883,854 66.334,855 45.342,856 63.354,857 12,858 117.711,859 39.149,860 129.482,861 165.635,862 20.507,863 39.149,865 129.482,866 20.507,869 28.773,870 103.291,871 72.72,873 129.482,874 72.089,875 153.202,878 129.482,879 28.218,880 85.835,881 18.011,882 93.227,883 129.482,884 72.089,885 153.202,887 0.581,888 0.354,889 0.196,890 0.11,891 20,892 8,893 0.079,894 3,895 2,896 1.211,897 3.531,898 194.621,899 0.211,900 19,901 104.042,904 14.304,905 5.722,906 2.499,907 2.926,908 72.089,909 14.588,910 8.606,912 5.928,914 2.66,916 18.011,917 354.773,918 36.5,926 35.702,927 38.934,928 0.336,929 0.708,930 0.853,931 0.962,932 0.974,933 0.974,934 4.846,935 1.377,936 5.707,937 3.549,938 4.317,939 5.014,940 1.029,941 6.553,942 4.219,943 6.086,944 1.264,945 7.283,946 3.091,947 3.892,948 4.913,950 7.506,951 3.734,952 7.419,953 0.645,954 8.96,955 2.96,956 5.938,957 7.376,958 0.763,959 10.643,960 5.772,961 8.794,962 0.414,963 10.698,964 1.53,965 6.365,966 8.152,968 12.453,969 6.154,970 10.203,971 0.123,972 12.475,973 0.694,974 7.864,975 10.067,976 0.597,977 15.108,978 7.648,979 11.639,980 -0.339,981 14.279,982 0.282,983 8.689,984 11.266,986 17.276,987 8.445,988 13.094,989 -0.64,990 16.103,991 -0.774,992 9.972,993 12.962,994 0.47,995 19.775,996 9.722,997 3.27,998 -0.709,999 17.943,1000 -1.522,1001 10.983,1002 14.365,1004 22.095,1005 10.715,1006 2.833,1007 11.488,1008 19.795,1009 -1.932,1010 12.184,1011 15.976,1012 0.367,1013 24.545,1014 11.909,1015 2.585,1016 8.956,1017 21.657,1018 4.851,1019 13.279,1020 17.473,1022 26.931,1023 12.993,1024 2.241,1025 8.181,1026 23.527,1027 3.83,1028 14.453,1029 19.056,1030 0.283,1031 29.369,1032 14.159,1033 1.82,1034 6.824,1035 25.405,1036 3.672,1037 15.588,1038 20.595,1040 31.784,1041 15.286,1042 1.548,1043 5.511,1044 27.288,1045 3.036,1046 16.756,1047 22.17,1048 0.217,1049 34.22,1050 16.445,1051 1.414,1052 4.388,1053 29.177,1054 2.654,1055 17.911,1056 23.729,1058 36.647,1059 17.591,1060 5285,1061 9450,1062 17.8,1063 25.591,1064 39.045,1065 40.015,1066 40.399,1067 39.138,1068 39.072,1069 55.141,1070 2.52,1071 114.908,1072 36.882,1073 5.52,1074 5.312,1075 6.553,1076 5.331,1077 5.27,1078 7.851,1079 1.72,1080 18.878,1081 5.217,1082 8.615,1083 1.502,1084 1.539,1085 1.554,1086 1.505,1087 1.503,1088 2.121,1089 0.097,1090 4.42,1091 1.419,1092 4.183,1093 4.192,1094 4.171,1095 4.066,1096 5.26,1097 4.088,1098 3.895,1099 3.921,1100 3.99,1101 3.835,1102 4.941,1103 3.829,1104 3.656,1105 3.693,1106 3.618,1107 3.508,1108 4.797,1109 3.53,1110 3.264,1111 3.323,1112 3.296,1113 2.998,1114 4.564,1115 3.022,1116 3.066,1117 3.129,1118 3.146,1119 2.85,1120 4.35,1121 2.869,1122 3.025,1123 3.08,1124 2.986,1125 2.829,1126 4.207,1127 2.83,1128 2.878,1129 2.922,1130 2.869,1131 2.788,1132 4.005,1133 2.765,1134 2.825,1135 2.889,1136 2.676,1137 2.686,1138 3.708,1139 2.674,1140 0.183,1141 0.127,1142 0.264,1143 0.164,1144 0.126,1145 4.753,1146 0.187,1147 3.312,1148 0.033,1149 6.865,1150 0.442,1151 4.254,1152 0.124,1153 3.27,1154 4.851,1155 0.86,1156 11.488,1157 3.217,1158 1.942,1159 1.923,1160 2.008,1161 2.042,1162 1.147,1163 2.031,1164 1.884,1165 1.862,1166 1.973,1167 1.993,1168 1.063,1169 1.986,1170 1.707,1171 1.686,1172 1.762,1173 1.88,1174 0.79,1175 1.857,1176 1.206,1177 1.147,1178 1.565,1179 1.523,1180 0.571,1181 1.532,1182 0.988,1183 0.928,1184 1.194,1185 1.236,1186 0.247,1187 1.228,1188 0.965,1189 0.918,1190 1.168,1191 1.218,1192 0.186,1193 1.192,1194 0.868,1195 0.824,1196 1.083,1197 1.017,1198 0.161,1199 1.059,1200 0.802,1201 0.751,1202 0.973,1203 0.96,1204 0.071,1205 0.969,1206 3.97,1208 5.303,1209 2.398,1210 6.847,1211 4.844,1212 8.485,1213 7.066,1214 10.17,1216 1.619,1217 6.191,1223 3.197,1224 5.231,1231 24.955,1232 60.264,1233 127.119,1234 153.119,1235 172.77,1236 174.77,1237 174.77,1238 26.808,1239 7.532,1240 60.18,1241 60.18,1242 23,1243 12.571,1244 4.459,1245 3.524,1246 31.772,1247 73,1248 78,1249 0.218,1250 154.628,1251 251.65,1252 369.053,1253 18496,1254 2.9,1255 15.811,1256 0.687,1257 0.564,1258 16.311,1259 12.964,1260 11.258,1261 0.433,1262 0.283,1263 6.9,1264 10.506,1265 6.717,1266 5.56,1267 11.547,1268 7.367,1269 10.023,1270 0.271,1271 0.145,1272 10.394,1273 5.376,1274 9.014,1275 0.173,1276 0.075,1277 9.395,1278 3.916,1279 7.657,1280 0.108,1281 0.037,1282 7.91,1283 2.644,1284 6.501,1285 0.069,1286 0.019,1287 6.72,1288 1.792,1289 0.333,1290 73.974,1291 0.237,1292 22.207,1293 0.626,1294 126,1295 399.298,1296 154.212,1297 412.601,1298 566.6,1299 388,1300 152,1301 407.864,1302 178.004,1303 421.405,1304 621.85,1305 396,1306 5.495} {0 CHEMBL2313892,1 1.807,2 9.833,3 5.385,4 28.996,5 92.424,6 10.292,7 0.778,8 3.721,9 3.796,10 3.56,11 3.335,12 4.946,13 3.347,14 4.197,15 4.3,16 3.975,17 3.713,18 5.425,19 3.719,20 4.357,21 4.468,22 4.158,23 3.812,24 5.628,25 3.79,26 4.35,27 4.498,28 3.869,29 3.699,30 5.522,31 3.662,32 4.273,33 4.457,34 3.698,35 3.579,36 5.375,37 3.54,38 4.176,39 4.329,40 3.709,41 3.522,42 5.351,43 3.496,44 4.077,45 4.236,46 3.729,47 3.454,48 5.279,49 3.404,50 3.891,51 4.028,52 3.642,53 3.346,54 5.136,55 3.278,56 0.122,57 0.481,58 2.789,59 2.582,60 5.257,61 2.54,62 0.315,63 0.767,64 7.414,65 4.534,66 17.549,67 4.367,68 0.509,69 0.862,70 15.662,71 5.592,72 29.284,73 5.353,74 0.505,75 0.875,76 14.488,77 5.857,78 27.44,79 6.01,80 0.403,81 0.82,82 15.282,83 5.712,84 27.463,85 6.284,86 0.431,87 0.737,88 11.116,89 4.729,90 26.213,91 4.507,92 0.406,93 0.641,94 10.381,95 4.553,96 24.428,97 4.989,98 0.331,99 0.508,100 9.433,101 3.765,102 21.321,103 3.72,104 11,105 39,106 0.323,107 0.671,108 0.792,109 0.881,110 0.892,111 0.892,112 3.229,113 0.872,114 -4.6,115 -4.52,116 -4.26,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 5,164 1,166 2,168 6,171 2,172 3,174 1,176 1,178 6,181 1,182 7,185 1,187 2,190 1,194 5,199 3,205 1,206 5,211 1,213 2,216 1,217 3,220 1,224 5,229 2,237 5,242 3,250 4,255 764,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.968,263 9.438,264 16.998,265 13.265,266 13.265,267 13.265,268 13.265,269 13.265,270 9.485,271 24.324,272 4.414,273 14.268,274 3.323,275 1.369,276 0.693,277 0.193,278 0.136,279 0.136,280 3.929,281 2,284 1,285 517,286 2.55,288 34.528,289 164.859,291 140.878,295 1.514,296 22.424,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.167,307 236,308 4.753,309 3.33,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.229,318 3.281,319 6.049,320 3.761,321 2.845,322 3.886,323 0.4,324 8.725,325 2.621,326 4.054,327 2.865,328 5.932,329 3.578,330 2.638,331 3.718,333 8.224,334 2.449,335 3.666,336 2.631,337 5.415,338 3.244,339 2.323,340 3.073,342 6.977,343 2.113,344 3.433,345 2.26,346 5.185,347 2.987,348 2.055,349 2.761,351 6.256,352 1.827,353 3.281,354 2.119,355 4.962,356 2.77,357 1.804,358 2.647,360 5.452,361 1.738,362 2.897,363 1.844,364 4.446,365 2.375,366 1.43,367 2.084,369 4.098,370 1.343,371 2.82,372 1.494,373 4.041,374 2.306,375 1.414,376 1.949,378 3.522,379 1.226,380 2.771,381 1.317,382 3.841,383 2.246,384 1.298,385 1.894,386 3.094,387 1.197,388 2.048,389 1.045,390 3.283,391 1.597,392 0.656,393 0.876,394 1.571,395 0.609,396 1.625,397 0.803,398 2.956,399 1.3,400 0.425,401 0.495,402 0.735,403 0.365,404 1.516,405 0.568,406 2.827,407 1.076,408 0.232,409 0.289,411 0.501,412 0.168,413 1.149,414 0.142,415 2.407,416 0.671,417 -0.163,418 -0.205,420 -0.396,421 -0.124,422 0.814,423 -0.148,424 2.38,425 0.345,426 -0.555,427 -0.722,429 -1.357,430 -0.427,431 0.797,432 -0.355,433 2.33,434 0.282,435 -0.675,436 -0.915,438 -1.771,439 -0.599,440 11.795,441 0.491,442 0.606,443 0.025,444 35.5,445 1.479,446 19,447 0.792,448 16.5,449 0.688,450 16.485,451 0.687,452 24.205,453 0.692,454 23.989,455 1,456 7.09,457 0.295,458 4.562,459 0.19,460 0.164,462 0.382,466 0.819,467 1.209,468 0.484,469 0.829,470 0.731,471 0.731,472 1.058,473 0.955,474 0.591,475 0.715,476 0.832,477 0.685,478 1.033,479 1.098,480 0.849,481 0.917,482 0.904,483 0.922,484 0.969,485 1.177,486 0.951,487 1.109,488 0.964,489 1.12,490 0.93,491 1.066,492 0.76,493 0.958,494 0.88,495 0.953,496 1.177,497 1.028,498 0.819,499 0.867,500 1.061,501 0.941,502 0.687,503 0.926,504 0.748,505 0.926,506 0.681,507 0.961,508 0.967,509 0.953,510 1.146,511 1.005,512 1.115,513 1.043,514 5,515 0.083,516 2.889,517 1.951,518 1.395,519 0.608,520 0.631,521 0.315,522 0.266,523 0.156,524 6323,525 22749,526 2.135,527 31.4,529 9,531 1,532 1,536 1.67,537 2,538 3.276,539 -0.26,545 63.229,546 1.807,547 3.76,548 4.436,549 4.936,550 4.993,551 4.993,552 2.736,553 3.824,554 4.555,555 3.382,556 933.489,557 7.866,558 10650.2,563 179.525,564 1.406,565 4.518,566 0.185,567 0.008,568 0.074,569 0.049,570 0.042,571 0.021,572 0.023,573 0.013,574 0.013,575 0.011,576 0.439,577 0.33,578 1,579 0.757,580 112.925,581 -0.094,582 -0.167,583 0.006,584 -0.063,585 -0.129,586 -0.004,587 -0.122,588 0.081,589 0.04,590 0.124,591 -0.043,592 0.113,593 0.008,594 -0.081,595 0.027,596 -0.022,597 0.04,598 -0.084,599 -0.012,600 -0.166,601 -0.137,602 -0.191,603 -0.081,604 -0.198,605 -0.072,606 -0.055,607 0.016,608 -0.008,609 -0.023,610 0.062,611 -0.158,612 0.013,613 -0.069,614 0.042,615 -0.155,616 -0.03,617 0.237,618 0.063,619 0.137,620 0.033,621 0.249,622 0.021,623 -0.004,624 0.015,625 -0.024,626 -0.024,627 -0.06,628 -0.092,629 1.207,630 2.426,631 0.792,632 19.292,633 1.029,634 1.111,635 3.372,636 11.37,637 0.756,638 3.332,639 3.689,640 4.007,641 4.304,642 4.585,643 4.71,644 4.89,645 5.063,646 5.081,647 5.17,648 5.657,649 0.737,650 360.21,651 3.332,652 4.89,653 5.765,654 6.663,655 7.557,656 8.463,657 9.366,658 10.275,659 11.183,660 12.096,661 8.6,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,712 2,721 16,722 1,735 1,736 11,737 5,738 1,739 7,740 2,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,782 2,785 24,790 1,791 1,800 2,801 5.7,806 2,808 12,809 6.852,810 5.222,811 1.923,812 4.301,813 1.564,814 1.035,815 3.961,816 11.93,817 3.651,818 4.366,819 5.061,820 5.752,821 6.398,822 6.833,823 7.355,824 7.879,825 8.17,826 8.573,827 0.857,828 40,829 8.772,831 3.767,832 7.78,833 16.471,835 13.457,837 2.28,838 54.722,842 117.711,843 108.078,844 51.582,845 78.297,846 20.507,849 108.078,850 216.516,851 51.582,852 10.883,854 56.857,855 45.342,856 66.855,857 12,858 105.94,859 78.297,860 117.711,861 159.66,862 20.507,863 78.297,865 117.711,866 20.507,869 28.773,870 97.315,871 111.868,873 117.711,874 72.089,875 186.375,878 117.711,879 31.719,880 76.359,881 18.011,882 132.376,883 117.711,884 72.089,885 186.375,887 0.588,888 0.355,889 0.189,890 0.108,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.603,898 205.322,899 0.211,900 19,901 110.039,904 15.511,905 6.128,906 2.806,907 2.865,908 72.089,909 12.341,910 8.595,912 5.926,914 2.969,916 18.011,917 376.175,918 37.5,926 36.025,927 38.878,928 0.352,929 0.733,930 0.865,931 0.962,932 0.974,933 0.974,934 4.885,935 1.414,936 5.765,937 4.098,938 4.369,939 5.053,940 1.029,941 6.611,942 4.242,943 6.135,944 1.298,945 7.345,946 3.522,947 4.007,948 5.007,950 7.554,951 3.79,952 7.474,953 0.656,954 9.022,955 3.094,956 5.999,957 7.42,958 0.763,959 10.677,960 5.793,961 8.853,962 0.425,963 10.756,964 1.571,965 6.447,966 8.213,968 12.459,969 6.178,970 10.263,971 0.232,972 12.525,973 0.735,974 7.919,975 10.105,976 0.597,977 15.112,978 7.659,979 11.696,980 -0.163,981 14.321,982 0.501,983 8.746,984 11.306,986 17.265,987 8.452,988 13.149,989 -0.555,990 16.136,991 -0.396,992 10.016,993 12.992,994 0.47,995 19.765,996 9.724,997 3.269,998 -0.675,999 17.967,1000 -1.357,1001 11.023,1002 14.393,1004 22.08,1005 10.715,1006 2.845,1007 11.485,1008 19.811,1009 -1.771,1010 12.216,1011 15.999,1012 0.367,1013 24.532,1014 11.907,1015 2.638,1016 8.725,1017 21.666,1018 4.851,1019 13.308,1020 17.493,1022 26.917,1023 12.99,1024 2.323,1025 8.224,1026 23.53,1027 3.886,1028 14.477,1029 19.072,1030 0.283,1031 29.356,1032 14.156,1033 2.055,1034 6.977,1035 25.403,1036 3.718,1037 15.608,1038 20.609,1040 31.772,1041 15.282,1042 1.804,1043 6.256,1044 27.283,1045 3.073,1046 16.772,1047 22.181,1048 0.217,1049 34.209,1050 16.441,1051 1.43,1052 5.452,1053 29.169,1054 2.761,1055 17.924,1056 23.739,1058 36.637,1059 17.587,1060 6024,1061 11564,1062 18.205,1063 26.449,1064 40.851,1065 42.102,1066 42.39,1067 40.942,1068 40.773,1069 57.046,1070 2.52,1071 121.279,1072 37.748,1073 5.517,1074 5.33,1075 6.412,1076 5.33,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.217,1082 10.999,1083 1.513,1084 1.559,1085 1.57,1086 1.516,1087 1.51,1088 2.113,1089 0.093,1090 4.492,1091 1.398,1092 4.183,1093 4.192,1094 4.178,1095 4.066,1096 5.26,1097 4.088,1098 3.901,1099 3.92,1100 4.095,1101 3.852,1102 5.04,1103 3.843,1104 3.658,1105 3.692,1106 3.635,1107 3.511,1108 4.803,1109 3.532,1110 3.265,1111 3.323,1112 3.403,1113 3.009,1114 4.567,1115 3.03,1116 3.073,1117 3.127,1118 3.323,1119 2.885,1120 4.491,1121 2.892,1122 3.034,1123 3.08,1124 3.12,1125 2.831,1126 4.352,1127 2.843,1128 2.877,1129 2.921,1130 2.947,1131 2.788,1132 4.159,1133 2.762,1134 2.827,1135 2.889,1136 2.751,1137 2.692,1138 3.896,1139 2.678,1140 0.176,1141 0.123,1142 0.254,1143 0.158,1144 0.121,1145 4.753,1146 0.18,1147 3.33,1148 0.032,1149 6.864,1150 0.425,1151 4.253,1152 0.119,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.941,1159 1.923,1160 2.006,1161 2.041,1162 1.147,1163 2.029,1164 1.88,1165 1.863,1166 1.939,1167 1.989,1168 1.061,1169 1.977,1170 1.705,1171 1.686,1172 1.75,1173 1.866,1174 0.788,1175 1.846,1176 1.206,1177 1.147,1178 1.564,1179 1.522,1180 0.571,1181 1.532,1182 0.975,1183 0.928,1184 1.169,1185 1.226,1186 0.21,1187 1.206,1188 0.963,1189 0.921,1190 1.144,1191 1.193,1192 0.185,1193 1.178,1194 0.867,1195 0.824,1196 1.042,1197 1.01,1198 0.145,1199 1.051,1200 0.799,1201 0.751,1202 0.968,1203 0.954,1204 0.047,1205 0.963,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.537,1213 7.066,1214 10.221,1216 1.612,1217 11.999,1223 3.185,1224 5.23,1231 25.783,1232 63.229,1233 131.609,1234 155.26,1235 172.77,1236 174.77,1237 174.77,1238 30.592,1239 7.629,1240 60.18,1241 60.18,1242 23,1243 12.61,1244 4.459,1245 3.524,1246 33.845,1247 81,1248 84,1249 0.209,1250 162.961,1251 266.86,1252 389.385,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.584,1258 17.681,1259 14.02,1260 11.652,1261 0.432,1262 0.291,1263 7.03,1264 10.62,1265 6.81,1266 5.612,1267 12.23,1268 7.844,1269 10.635,1270 0.273,1271 0.152,1272 11.377,1273 5.932,1274 9.463,1275 0.175,1276 0.081,1277 10.377,1278 4.381,1279 7.826,1280 0.107,1281 0.038,1282 8.227,1283 2.78,1284 6.672,1285 0.069,1286 0.02,1287 7.041,1288 1.908,1289 0.322,1290 79.512,1291 0.234,1292 23.146,1293 0.59,1294 132,1295 433.501,1296 175.731,1297 474.833,1298 638.03,1299 444,1300 159,1301 434.727,1302 200.032,1303 458.251,1304 676.19,1305 430,1306 5} {0 CHEMBL2313893,1 1.807,2 9.292,3 5.385,4 28.996,5 92.424,6 10.292,7 0.778,8 3.721,9 3.796,10 3.56,11 3.335,12 4.945,13 3.347,14 4.197,15 4.3,16 3.975,17 3.713,18 5.435,19 3.719,20 4.355,21 4.468,22 4.02,23 3.796,24 5.579,25 3.775,26 4.352,27 4.498,28 4.081,29 3.722,30 5.581,31 3.689,32 4.28,33 4.456,34 3.698,35 3.606,36 5.388,37 3.558,38 4.177,39 4.329,40 3.782,41 3.528,42 5.376,43 3.508,44 4.084,45 4.235,46 3.806,47 3.476,48 5.318,49 3.43,50 3.897,51 4.027,52 3.635,53 3.363,54 5.145,55 3.287,56 0.122,57 0.481,58 2.789,59 2.582,60 5.249,61 2.54,62 0.315,63 0.767,64 7.414,65 4.534,66 17.324,67 4.367,68 0.487,69 0.859,70 13.914,71 5.581,72 27.777,73 5.339,74 0.533,75 0.873,76 15.623,77 5.843,78 28.93,79 6.077,80 0.414,81 0.813,82 17.105,83 5.805,84 29.307,85 6.143,86 0.438,87 0.732,88 10.504,89 4.703,90 26.599,91 4.56,92 0.436,93 0.639,94 10.789,95 4.598,96 25.313,97 4.957,98 0.319,99 0.498,100 10.235,101 3.787,102 21.76,103 3.664,104 11,105 39,106 0.323,107 0.671,108 0.782,109 0.851,110 0.851,111 0.851,112 3.229,113 0.871,114 -4.6,115 -4.52,116 -4.26,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 2,161 1,162 5,164 1,166 2,168 10,171 2,172 3,174 1,178 1,181 1,182 7,185 1,187 4,190 3,194 4,199 2,205 1,206 6,211 1,213 2,216 1,217 3,220 1,224 4,229 3,237 5,242 2,250 6,255 758,256 16.35,257 16.35,258 16.35,259 16.35,260 16.35,261 13.895,262 17.003,263 9.481,264 16.984,265 13.313,266 13.313,267 13.313,268 13.313,269 13.313,270 9.522,271 26.606,272 4.473,273 14.321,274 3.323,275 1.369,276 0.75,277 0.364,278 0.364,279 0.364,280 3.929,281 2,284 1,285 487,286 2.55,288 34.107,289 163.626,291 139.142,295 1.566,296 22.543,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.167,307 223,308 4.753,309 3.302,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.19,318 3.147,319 6.04,320 3.741,321 2.803,322 3.842,323 0.4,324 8.709,325 2.623,326 4.034,327 2.85,328 5.656,329 3.553,330 2.607,331 3.7,333 7.832,334 2.446,335 3.639,336 2.623,337 5.373,338 3.209,339 2.281,340 3.054,342 6.858,343 2.104,344 3.311,345 2.587,346 5.018,347 2.857,348 1.93,349 2.659,351 5.709,352 1.762,353 3.247,354 2.165,355 4.843,356 2.756,357 1.879,358 2.527,360 5.349,361 1.691,362 3.232,363 1.836,364 4.618,365 2.707,366 1.79,367 2.481,369 4.963,370 1.441,371 2.892,372 1.484,373 4.419,374 2.363,375 1.421,376 2.078,378 4.045,379 1.331,380 2.764,381 1.313,382 3.841,383 2.242,384 1.291,385 1.885,386 3.093,387 1.222,388 2.039,389 1.039,390 3.276,391 1.585,392 0.64,393 0.859,394 1.529,395 0.599,396 1.609,397 0.608,398 2.933,399 1.29,400 0.404,401 0.478,402 0.674,403 0.356,404 1.304,405 0.277,406 2.826,407 0.909,408 -0.031,409 -0.041,411 -0.083,412 -0.029,413 1,414 0.173,415 2.406,416 0.473,417 -0.347,418 -0.445,420 -0.891,421 -0.229,422 0.924,423 0.089,424 2.382,425 0.445,426 -0.454,427 -0.581,429 -1.131,430 -0.292,431 0.804,432 -0.319,433 2.331,434 0.304,435 -0.63,436 -0.794,438 -1.484,439 -0.527,440 11.795,441 0.491,442 0.623,443 0.026,444 35.5,445 1.479,446 19,447 0.792,448 16.5,449 0.688,450 16.518,451 0.688,452 24.205,453 0.692,454 24.052,455 1.002,456 7.075,457 0.295,458 4.56,459 0.19,460 0.164,462 0.382,466 0.819,467 1.209,468 0.484,469 0.829,470 0.735,471 0.731,472 1.058,473 0.955,474 0.591,475 0.715,476 0.785,477 0.685,478 1.147,479 1.102,480 1.088,481 1.025,482 1.14,483 1.006,484 0.78,485 1.179,486 0.625,487 0.973,488 0.681,489 0.988,490 1.109,491 1.051,492 1.025,493 1.022,494 1.118,495 1.015,496 1.086,497 1.034,498 0.712,499 0.831,500 0.936,501 0.881,502 0.658,503 0.905,504 0.786,505 0.923,506 0.673,507 0.924,508 1.15,509 0.964,510 1.357,511 1.057,512 1.325,513 1.102,514 5.5,515 0.098,516 2.222,517 2.326,518 1.315,519 0.608,520 0.633,521 0.251,522 0.311,523 0.091,524 6251,525 22301,526 2.135,527 31.4,529 9,531 1,532 1,536 1.671,537 2,538 3.203,539 -0.26,545 63.229,546 1.807,547 3.76,548 4.379,549 4.765,550 4.765,551 4.765,552 2.678,553 3.804,554 4.556,555 3.347,556 923.882,557 7.872,558 10540.9,563 179.525,564 1.406,565 4.518,566 0.204,567 0.01,568 0.057,569 0.06,570 0.038,571 0.021,572 0.022,573 0.01,574 0.015,575 0.007,576 0.442,577 0.33,578 1,579 0.757,580 112.674,581 -0.094,582 -0.167,583 0.006,584 -0.063,585 -0.133,586 -0.004,587 -0.122,588 0.081,589 0.04,590 0.124,591 0.005,592 0.113,593 -0.11,594 -0.084,595 -0.22,596 -0.133,597 -0.203,598 -0.17,599 0.182,600 -0.168,601 0.199,602 -0.05,603 0.21,604 -0.061,605 -0.199,606 -0.049,607 -0.137,608 -0.059,609 -0.188,610 -0.015,611 -0.064,612 0.007,613 0.041,614 0.08,615 -0.026,616 0.031,617 0.301,618 0.079,619 0.171,620 0.045,621 0.308,622 0.051,623 -0.15,624 -0.003,625 -0.151,626 -0.066,627 -0.216,628 -0.163,629 1.135,630 2.425,631 0.792,632 18.813,633 1.029,634 1.111,635 3.372,636 11.37,637 0.756,638 3.332,639 3.689,640 3.989,641 4.331,642 4.575,643 4.727,644 4.883,645 5.063,646 5.088,647 5.176,648 5.573,649 0.737,650 360.21,651 3.332,652 4.89,653 5.759,654 6.663,655 7.55,656 8.462,657 9.359,658 10.275,659 11.177,660 12.095,661 8.6,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,712 2,721 16,722 1,735 1,736 11,737 5,738 1,739 7,740 2,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,782 2,785 24,790 1,791 1,800 2,801 5.7,806 2,808 12,809 6.852,810 5.194,811 1.916,812 4.31,813 1.565,814 1.035,815 3.961,816 11.939,817 3.651,818 4.366,819 5.051,820 5.766,821 6.39,822 6.844,823 7.35,824 7.879,825 8.173,826 8.576,827 1,828 39,829 8.773,831 3.767,832 7.78,833 16.471,835 13.452,837 2.28,838 54.722,842 117.711,843 108.078,844 51.582,845 78.297,846 20.507,849 108.078,850 216.516,851 51.582,852 10.883,854 56.857,855 45.342,856 66.855,857 12,858 105.94,859 78.297,860 117.711,861 159.66,862 20.507,863 78.297,865 117.711,866 20.507,869 28.773,870 97.315,871 111.868,873 117.711,874 72.089,875 186.375,878 117.711,879 31.719,880 76.359,881 18.011,882 132.376,883 117.711,884 72.089,885 186.375,887 0.585,888 0.343,889 0.198,890 0.107,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.595,898 205.773,899 0.211,900 19,901 104.039,904 15.511,905 6.128,906 2.918,907 2.84,908 72.089,909 12.251,910 8.59,912 5.925,914 3.027,916 18.011,917 376.175,918 37.5,926 36.025,927 38.878,928 0.352,929 0.733,930 0.854,931 0.929,932 0.929,933 0.929,934 4.885,935 1.421,936 5.759,937 4.963,938 4.369,939 5.053,940 1.029,941 6.6,942 4.242,943 6.135,944 1.291,945 7.33,946 4.045,947 4.007,948 5.007,950 7.516,951 3.79,952 7.472,953 0.64,954 8.996,955 3.093,956 5.989,957 7.414,958 0.763,959 10.648,960 5.791,961 8.847,962 0.404,963 10.718,964 1.529,965 6.415,966 8.194,968 12.416,969 6.171,970 10.251,971 -0.031,972 12.478,973 0.674,974 7.892,975 10.092,976 0.597,977 15.08,978 7.656,979 11.68,980 -0.347,981 14.265,982 -0.083,983 8.705,984 11.287,986 17.234,987 8.448,988 13.129,989 -0.454,990 16.075,991 -0.891,992 9.98,993 12.977,994 0.47,995 19.74,996 9.721,997 3.269,998 -0.63,999 17.902,1000 -1.131,1001 10.982,1002 14.376,1004 22.06,1005 10.713,1006 2.803,1007 11.485,1008 19.745,1009 -1.484,1010 12.179,1011 15.985,1012 0.367,1013 24.516,1014 11.906,1015 2.607,1016 8.709,1017 21.6,1018 4.851,1019 13.27,1020 17.48,1022 26.905,1023 12.989,1024 2.281,1025 7.832,1026 23.466,1027 3.842,1028 14.442,1029 19.061,1030 0.283,1031 29.347,1032 14.155,1033 1.93,1034 6.858,1035 25.342,1036 3.7,1037 15.575,1038 20.6,1040 31.765,1041 15.281,1042 1.879,1043 5.709,1044 27.225,1045 3.054,1046 16.742,1047 22.173,1048 0.217,1049 34.203,1050 16.441,1051 1.79,1052 5.349,1053 29.114,1054 2.659,1055 17.896,1056 23.732,1058 36.634,1059 17.587,1060 5957,1061 11387,1062 18.205,1063 26.449,1064 40.864,1065 41.446,1066 42.206,1067 40.906,1068 40.631,1069 56.826,1070 2.52,1071 120.49,1072 37.584,1073 5.519,1074 5.302,1075 6.412,1076 5.33,1077 5.269,1078 7.851,1079 1.72,1080 18.871,1081 5.217,1082 10.929,1083 1.513,1084 1.535,1085 1.563,1086 1.515,1087 1.505,1088 2.105,1089 0.093,1090 4.463,1091 1.392,1092 4.183,1093 4.192,1094 4.175,1095 4.066,1096 5.26,1097 4.088,1098 3.901,1099 3.92,1100 4.07,1101 3.851,1102 5.019,1103 3.843,1104 3.657,1105 3.692,1106 3.629,1107 3.51,1108 4.802,1109 3.532,1110 3.265,1111 3.323,1112 3.582,1113 3.003,1114 4.632,1115 3.026,1116 3.069,1117 3.128,1118 3.225,1119 2.857,1120 4.566,1121 2.876,1122 3.029,1123 3.08,1124 3.096,1125 2.849,1126 4.281,1127 2.835,1128 2.901,1129 2.918,1130 2.935,1131 2.829,1132 4.123,1133 2.815,1134 2.826,1135 2.889,1136 2.714,1137 2.688,1138 3.842,1139 2.675,1140 0.176,1141 0.122,1142 0.254,1143 0.158,1144 0.121,1145 4.753,1146 0.18,1147 3.302,1148 0.032,1149 6.864,1150 0.425,1151 4.253,1152 0.119,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.941,1159 1.923,1160 2.005,1161 2.041,1162 1.147,1163 2.028,1164 1.88,1165 1.863,1166 1.934,1167 1.989,1168 1.06,1169 1.977,1170 1.706,1171 1.686,1172 1.75,1173 1.866,1174 0.788,1175 1.846,1176 1.206,1177 1.147,1178 1.564,1179 1.522,1180 0.571,1181 1.532,1182 0.982,1183 0.928,1184 1.169,1185 1.228,1186 0.223,1187 1.213,1188 0.964,1189 0.919,1190 1.148,1191 1.206,1192 0.185,1193 1.187,1194 0.849,1195 0.827,1196 1,1197 0.962,1198 0.105,1199 1.004,1200 0.802,1201 0.751,1202 0.975,1203 0.962,1204 0.078,1205 0.971,1206 4.007,1208 5.352,1209 2.398,1210 6.893,1211 4.844,1212 8.527,1213 7.066,1214 10.211,1216 1.611,1217 12.075,1223 3.173,1224 5.23,1231 25.783,1232 63.229,1233 131.609,1234 153.26,1235 166.77,1236 166.77,1237 166.77,1238 30.273,1239 7.629,1240 60.18,1241 60.18,1242 23,1243 12.608,1244 4.459,1245 3.524,1246 33.801,1247 80,1248 84,1249 0.212,1250 162.961,1251 266.86,1252 389.385,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.584,1258 17.681,1259 14.02,1260 11.635,1261 0.431,1262 0.29,1263 7.024,1264 10.554,1265 6.801,1266 5.603,1267 12.213,1268 7.838,1269 10.785,1270 0.277,1271 0.154,1272 11.601,1273 6.02,1274 9.032,1275 0.17,1276 0.076,1277 9.503,1278 4.021,1279 8.259,1280 0.11,1281 0.041,1282 9.054,1283 3.06,1284 6.496,1285 0.068,1286 0.019,1287 6.784,1288 1.844,1289 0.325,1290 79.411,1291 0.234,1292 23.085,1293 0.602,1294 132,1295 433.501,1296 175.731,1297 474.993,1298 637.39,1299 444,1300 158,1301 433.727,1302 191.319,1303 457.396,1304 672.42,1305 429,1306 5} {0 CHEMBL2313894,1 1.807,2 9.792,3 5.385,4 28.996,5 92.424,6 10.292,7 0.778,8 3.721,9 3.796,10 3.56,11 3.335,12 4.946,13 3.347,14 4.197,15 4.3,16 3.975,17 3.713,18 5.427,19 3.719,20 4.356,21 4.468,22 4.074,23 3.8,24 5.605,25 3.784,26 4.359,27 4.497,28 4.028,29 3.741,30 5.572,31 3.695,32 4.274,33 4.457,34 3.772,35 3.585,36 5.4,37 3.552,38 4.182,39 4.328,40 3.788,41 3.543,42 5.387,43 3.52,44 4.082,45 4.235,46 3.724,47 3.469,48 5.287,49 3.412,50 3.877,51 4.03,52 3.543,53 3.315,54 5.069,55 3.245,56 0.122,57 0.481,58 2.789,59 2.582,60 5.257,61 2.54,62 0.315,63 0.767,64 7.414,65 4.534,66 17.406,67 4.367,68 0.493,69 0.854,70 13.302,71 5.554,72 27.34,73 5.393,74 0.538,75 0.871,76 18.058,77 5.962,78 31.121,79 5.882,80 0.409,81 0.815,82 14.669,83 5.685,84 27.85,85 6.338,86 0.46,87 0.735,88 11.524,89 4.774,90 27.098,91 4.475,92 0.395,93 0.631,94 11.184,95 4.576,96 24.867,97 4.932,98 0.298,99 0.523,100 8.002,101 3.71,102 18.533,103 3.779,104 11,105 39,106 0.323,107 0.671,108 0.802,109 0.892,110 0.892,111 0.892,112 3.229,113 0.872,114 -4.6,115 -4.52,116 -4.26,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 5,164 1,166 1,168 7,171 2,172 3,174 1,176 3,178 4,181 1,182 6,185 1,187 1,190 2,194 6,199 3,205 1,206 5,211 1,213 1,216 1,217 4,220 1,224 5,229 1,237 7,242 2,250 4,255 758,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.335,263 9.46,264 17.009,265 13.275,266 13.275,267 13.275,268 13.275,269 13.275,270 9.49,271 21.264,272 4.429,273 14.263,274 3.323,275 1.369,276 0.636,277 0.136,278 0.136,279 0.136,280 3.929,281 2,284 1,285 515,286 2.55,288 34.152,289 163.798,291 139.368,295 1.476,296 22.653,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.167,307 235,308 4.753,309 3.322,310 6.865,311 4.254,312 3.271,313 4.851,314 0.86,315 11.488,316 3.217,317 4.252,318 3.213,319 6.141,320 3.804,321 2.877,322 3.904,323 0.4,324 9.021,325 2.649,326 4.036,327 2.848,328 5.935,329 3.559,330 2.608,331 3.706,333 8.27,334 2.46,335 3.637,336 2.729,337 5.375,338 3.202,339 2.275,340 3.052,342 6.849,343 2.101,344 3.431,345 2.484,346 5.015,347 2.946,348 2.067,349 2.751,351 5.827,352 1.765,353 3.285,354 1.949,355 4.937,356 2.774,357 1.813,358 2.65,360 5.469,361 1.716,362 2.92,363 1.783,364 4.508,365 2.429,366 1.507,367 2.102,369 4.277,370 1.359,371 2.841,372 1.473,373 4.112,374 2.311,375 1.384,376 1.986,378 3.568,379 1.243,380 2.751,381 1.313,382 3.841,383 2.236,384 1.283,385 1.864,386 3.091,387 1.202,388 2.056,389 1.045,390 3.286,391 1.61,392 0.668,393 0.891,394 1.604,395 0.619,396 1.646,397 0.773,398 2.978,399 1.312,400 0.441,401 0.512,402 0.793,403 0.376,404 1.538,405 0.489,406 2.828,407 1.132,408 0.243,409 0.31,411 0.523,412 0.199,413 1.063,414 0.256,415 2.407,416 0.588,417 -0.304,418 -0.398,420 -0.728,421 -0.252,422 0.804,423 -0.065,424 2.359,425 0.312,426 -0.514,427 -0.621,429 -1.242,430 -0.293,431 0.797,432 -0.36,433 2.339,434 0.271,435 -0.653,436 -0.866,438 -1.615,439 -0.602,440 11.795,441 0.491,442 0.606,443 0.025,444 35.5,445 1.479,446 19,447 0.792,448 16.5,449 0.688,450 16.555,451 0.69,452 24.205,453 0.692,454 24.065,455 1.003,456 7.09,457 0.295,458 4.562,459 0.19,460 0.164,462 0.382,466 0.819,467 1.209,468 0.484,469 0.829,470 0.731,471 0.731,472 1.058,473 0.955,474 0.591,475 0.715,476 0.821,477 0.685,478 1.07,479 1.107,480 0.998,481 0.995,482 0.996,483 0.956,484 1.024,485 1.159,486 0.964,487 1.063,488 1.02,489 1.096,490 0.85,491 1.071,492 0.666,493 0.926,494 0.769,495 0.9,496 1.15,497 1.008,498 0.854,499 0.864,500 1.053,501 0.907,502 0.837,503 0.934,504 0.921,505 0.968,506 0.853,507 1.009,508 0.908,509 0.94,510 0.911,511 0.883,512 0.943,513 0.989,514 5,515 0.063,516 2.889,517 1.951,518 1.475,519 0.664,520 0.572,521 0.424,522 0.183,523 0.186,524 6251,525 22301,526 2.135,527 31.4,529 9,531 1,532 1,536 1.671,537 2,538 3.255,539 -0.26,545 63.229,546 1.807,547 3.76,548 4.493,549 4.993,550 4.993,551 4.993,552 2.701,553 3.939,554 4.555,555 3.361,556 927.624,557 7.87,558 10537.7,563 179.525,564 1.406,565 4.518,566 0.185,567 0.007,568 0.074,569 0.049,570 0.043,571 0.022,572 0.02,573 0.017,574 0.009,575 0.013,576 0.44,577 0.33,578 1,579 0.757,580 112.66,581 -0.094,582 -0.167,583 0.006,584 -0.063,585 -0.129,586 -0.004,587 -0.122,588 0.081,589 0.04,590 0.124,591 -0.032,592 0.113,593 -0.03,594 -0.09,595 -0.126,596 -0.101,597 -0.054,598 -0.119,599 -0.016,600 -0.156,601 -0.038,602 -0.129,603 -0.064,604 -0.185,605 0.011,606 -0.061,607 0.114,608 0.025,609 0.091,610 0.116,611 -0.099,612 0.027,613 -0.038,614 0.054,615 -0.101,616 -0.003,617 0.117,618 0.048,619 0.033,620 -0.001,621 0.121,622 -0.037,623 -0.028,624 0.043,625 0.039,626 0.079,627 -0.002,628 -0.018,629 1.174,630 2.425,631 0.792,632 18.979,633 1.029,634 1.111,635 3.372,636 11.37,637 0.756,638 3.332,639 3.689,640 4.007,641 4.317,642 4.595,643 4.718,644 4.89,645 5.069,646 5.094,647 5.165,648 5.583,649 0.737,650 360.21,651 3.332,652 4.89,653 5.765,654 6.666,655 7.561,656 8.468,657 9.372,658 10.284,659 11.193,660 12.107,661 8.6,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,712 2,721 16,722 1,735 1,736 11,737 5,738 1,739 7,740 2,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,782 2,785 24,790 1,791 1,800 2,801 5.7,806 2,808 12,809 6.852,810 5.222,811 1.923,812 4.33,813 1.568,814 1.035,815 3.961,816 11.959,817 3.651,818 4.366,819 5.061,820 5.757,821 6.402,822 6.837,823 7.355,824 7.882,825 8.177,826 8.569,827 0.857,828 40,829 8.774,831 3.77,832 7.78,833 16.471,835 13.457,837 2.28,838 54.722,842 117.711,843 108.078,844 51.582,845 78.297,846 20.507,849 108.078,850 216.516,851 51.582,852 10.883,854 56.857,855 45.342,856 66.855,857 12,858 105.94,859 78.297,860 117.711,861 159.66,862 20.507,863 78.297,865 117.711,866 20.507,869 28.773,870 97.315,871 111.868,873 117.711,874 72.089,875 186.375,878 117.711,879 31.719,880 76.359,881 18.011,882 132.376,883 117.711,884 72.089,885 186.375,887 0.587,888 0.352,889 0.194,890 0.11,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.591,898 206.108,899 0.211,900 19,901 110.039,904 15.511,905 6.128,906 2.806,907 2.829,908 72.089,909 12.258,910 8.589,912 5.925,914 2.976,916 18.011,917 376.175,918 37.5,926 36.025,927 38.878,928 0.352,929 0.733,930 0.876,931 0.974,932 0.974,933 0.974,934 4.885,935 1.384,936 5.765,937 4.277,938 4.369,939 5.053,940 1.029,941 6.613,942 4.242,943 6.135,944 1.283,945 7.345,946 3.568,947 4.007,948 5.007,950 7.564,951 3.79,952 7.474,953 0.668,954 9.023,955 3.091,956 5.999,957 7.42,958 0.763,959 10.69,960 5.796,961 8.853,962 0.441,963 10.757,964 1.604,965 6.447,966 8.213,968 12.481,969 6.186,970 10.263,971 0.243,972 12.529,973 0.793,974 7.921,975 10.106,976 0.597,977 15.136,978 7.667,979 11.697,980 -0.304,981 14.327,982 0.523,983 8.751,984 11.308,986 17.292,987 8.465,988 13.151,989 -0.514,990 16.145,991 -0.728,992 10.022,993 12.993,994 0.47,995 19.791,996 9.736,997 3.271,998 -0.653,999 17.979,1000 -1.242,1001 11.032,1002 14.395,1004 22.106,1005 10.729,1006 2.877,1007 11.488,1008 19.826,1009 -1.615,1010 12.227,1011 16.001,1012 0.367,1013 24.556,1014 11.92,1015 2.608,1016 9.021,1017 21.683,1018 4.851,1019 13.321,1020 17.495,1022 26.939,1023 13.003,1024 2.275,1025 8.27,1026 23.55,1027 3.904,1028 14.491,1029 19.074,1030 0.283,1031 29.376,1032 14.168,1033 2.067,1034 6.849,1035 25.425,1036 3.706,1037 15.624,1038 20.611,1040 31.789,1041 15.293,1042 1.813,1043 5.827,1044 27.306,1045 3.052,1046 16.79,1047 22.183,1048 0.217,1049 34.224,1050 16.451,1051 1.507,1052 5.469,1053 29.193,1054 2.751,1055 17.942,1056 23.741,1058 36.651,1059 17.596,1060 5958,1061 11388,1062 18.205,1063 26.449,1064 40.956,1065 41.926,1066 42.431,1067 41.092,1068 40.871,1069 57.159,1070 2.52,1071 121.562,1072 37.813,1073 5.523,1074 5.322,1075 6.412,1076 5.331,1077 5.271,1078 7.851,1079 1.72,1080 18.879,1081 5.217,1082 10.913,1083 1.517,1084 1.553,1085 1.572,1086 1.522,1087 1.514,1088 2.117,1089 0.093,1090 4.502,1091 1.4,1092 4.183,1093 4.192,1094 4.177,1095 4.066,1096 5.261,1097 4.088,1098 3.902,1099 3.92,1100 4.071,1101 3.851,1102 5.017,1103 3.843,1104 3.657,1105 3.692,1106 3.64,1107 3.51,1108 4.801,1109 3.531,1110 3.265,1111 3.323,1112 3.572,1113 3.006,1114 4.632,1115 3.028,1116 3.071,1117 3.127,1118 3.181,1119 2.886,1120 4.564,1121 2.89,1122 3.033,1123 3.08,1124 3.089,1125 2.832,1126 4.249,1127 2.843,1128 2.879,1129 2.922,1130 2.943,1131 2.789,1132 4.122,1133 2.765,1134 2.827,1135 2.889,1136 2.753,1137 2.692,1138 3.894,1139 2.679,1140 0.176,1141 0.123,1142 0.254,1143 0.158,1144 0.121,1145 4.753,1146 0.18,1147 3.322,1148 0.032,1149 6.865,1150 0.425,1151 4.254,1152 0.119,1153 3.271,1154 4.851,1155 0.86,1156 11.488,1157 3.217,1158 1.941,1159 1.923,1160 2.005,1161 2.04,1162 1.147,1163 2.028,1164 1.88,1165 1.863,1166 1.935,1167 1.988,1168 1.06,1169 1.976,1170 1.706,1171 1.686,1172 1.753,1173 1.868,1174 0.788,1175 1.848,1176 1.206,1177 1.147,1178 1.564,1179 1.522,1180 0.571,1181 1.532,1182 0.977,1183 0.928,1184 1.169,1185 1.227,1186 0.208,1187 1.208,1188 0.963,1189 0.92,1190 1.131,1191 1.2,1192 0.185,1193 1.183,1194 0.868,1195 0.824,1196 1.083,1197 1.016,1198 0.16,1199 1.058,1200 0.799,1201 0.752,1202 0.97,1203 0.956,1204 0.052,1205 0.964,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1216 1.61,1217 12.14,1223 3.165,1224 5.23,1231 25.783,1232 63.229,1233 131.609,1234 157.26,1235 174.77,1236 174.77,1237 174.77,1238 30.722,1239 7.629,1240 60.18,1241 60.18,1242 23,1243 12.62,1244 4.459,1245 3.524,1246 33.814,1247 80,1248 84,1249 0.212,1250 162.961,1251 266.86,1252 389.385,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.584,1258 17.681,1259 14.02,1260 11.652,1261 0.432,1262 0.291,1263 7.03,1264 10.591,1265 6.81,1266 5.61,1267 12.23,1268 7.844,1269 10.657,1270 0.273,1271 0.153,1272 11.436,1273 5.957,1274 9.335,1275 0.173,1276 0.078,1277 9.95,1278 4.192,1279 7.992,1280 0.108,1281 0.04,1282 8.672,1283 2.945,1284 6.706,1285 0.068,1286 0.02,1287 7.104,1288 1.923,1289 0.325,1290 79.512,1291 0.234,1292 23.093,1293 0.602,1294 132,1295 433.501,1296 175.731,1297 474.759,1298 637.97,1299 444,1300 159,1301 434.727,1302 194.762,1303 458.055,1304 675.45,1305 430,1306 5.509} {0 CHEMBL2313895,1 1.864,2 9.833,3 4.926,4 24.264,5 87.835,6 9.822,7 0.778,8 3.726,9 3.805,10 3.52,11 3.302,12 4.991,13 3.331,14 4.202,15 4.311,16 3.922,17 3.667,18 5.486,19 3.697,20 4.367,21 4.488,22 4.043,23 3.736,24 5.748,25 3.756,26 4.357,27 4.513,28 3.835,29 3.658,30 5.578,31 3.644,32 4.276,33 4.463,34 3.657,35 3.563,36 5.419,37 3.53,38 4.182,39 4.34,40 3.672,41 3.484,42 5.399,43 3.479,44 4.084,45 4.249,46 3.655,47 3.406,48 5.367,49 3.377,50 3.904,51 4.05,52 3.514,53 3.263,54 5.288,55 3.231,56 0.151,57 0.564,58 3.375,59 2.795,60 6.264,61 2.619,62 0.365,63 0.888,64 8.071,65 4.72,66 20.331,67 4.379,68 0.616,69 1.017,70 12.713,71 5.679,72 41.981,73 5.175,74 0.585,75 0.99,76 13.319,77 5.84,78 36.861,79 5.828,80 0.469,81 0.876,82 15.319,83 5.636,84 32.831,85 6.347,86 0.488,87 0.812,88 10.795,89 4.672,90 32.066,91 4.42,92 0.46,93 0.747,94 10.62,95 4.576,96 31.512,97 5.009,98 0.421,99 0.636,100 9.269,101 3.802,102 29.013,103 3.699,104 11,105 39,106 0.333,107 0.692,108 0.813,109 0.892,110 0.892,111 0.892,112 3.229,113 0.83,114 -4.49,115 -4.41,116 -4.16,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 5,164 1,166 2,168 5,171 2,172 3,174 1,176 1,178 3,181 1,182 7,185 1,187 2,190 1,194 5,199 2,205 1,206 5,211 1,213 2,216 1,217 2,220 1,224 5,229 1,237 5,242 2,250 3,255 764,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.985,263 9.438,264 16.931,265 13.265,266 13.265,267 13.265,268 13.265,269 13.265,270 9.485,271 24.338,272 4.414,273 14.114,274 3.266,275 1.255,276 0.579,277 0.136,278 0.136,279 0.136,280 3.929,281 1,284 1,285 517,286 2.55,288 34.528,289 164.859,291 140.878,295 1.514,296 28.285,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53.333,307 236,308 4.753,309 3.323,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.229,318 3.277,319 6.049,320 3.775,321 2.845,322 3.886,323 0.4,324 8.725,325 2.642,326 4.054,327 2.865,328 5.932,329 3.586,330 2.638,331 3.718,333 8.224,334 2.482,335 3.666,336 2.63,337 5.415,338 3.251,339 2.323,340 3.073,342 6.977,343 2.138,344 3.433,345 2.254,346 5.185,347 3,348 2.055,349 2.761,351 6.256,352 1.912,353 3.281,354 2.108,355 4.962,356 2.771,357 1.804,358 2.647,360 5.452,361 1.743,362 2.897,363 1.844,364 4.446,365 2.375,366 1.43,367 2.084,369 4.098,370 1.347,371 2.82,372 1.494,373 4.041,374 2.319,375 1.414,376 1.949,378 3.522,379 1.227,380 2.771,381 1.317,382 3.841,383 2.247,384 1.298,385 1.894,386 3.094,387 1.217,388 2.048,389 1.045,390 3.283,391 1.6,392 0.656,393 0.876,394 1.571,395 0.613,396 1.625,397 0.796,398 2.956,399 1.303,400 0.425,401 0.495,402 0.735,403 0.369,404 1.516,405 0.567,406 2.827,407 1.116,408 0.232,409 0.289,411 0.501,412 0.192,413 1.149,414 0.142,415 2.407,416 0.699,417 -0.163,418 -0.205,420 -0.396,421 -0.128,422 0.814,423 -0.154,424 2.38,425 0.346,426 -0.555,427 -0.722,429 -1.357,430 -0.447,431 0.797,432 -0.357,433 2.33,434 0.282,435 -0.675,436 -0.915,438 -1.771,439 -0.628,440 11.367,441 0.474,442 0.606,443 0.025,444 35.5,445 1.479,446 19,447 0.792,448 16.5,449 0.688,450 15.692,451 0.654,452 24.633,453 0.704,454 24.782,455 1.033,456 7.221,457 0.301,458 4.431,459 0.185,460 0.132,462 0.396,464 1,466 0.747,467 1.048,468 0.512,469 0.903,470 0.593,471 0.768,472 0.959,473 0.919,474 0.621,475 0.801,476 0.69,477 0.724,478 1.003,479 1.089,480 0.903,481 1.006,482 0.89,483 0.945,484 0.945,485 1.017,486 0.957,487 1.054,488 0.892,489 1.097,490 0.759,491 0.766,492 0.938,493 0.956,494 0.52,495 0.977,496 1.066,497 0.899,498 0.861,499 0.856,500 0.838,501 0.94,502 0.652,503 0.811,504 0.822,505 0.957,506 0.615,507 0.994,508 0.945,509 1.075,510 1.218,511 1.052,512 1.057,513 1.086,514 5,515 0.083,516 2.889,517 1.951,518 1.395,519 0.608,520 0.631,521 0.315,522 0.266,523 0.156,524 6323,525 22749,526 2.135,527 31.4,529 9,531 1,532 1,536 1.67,537 2,538 3.276,539 -0.26,545 65.229,546 1.864,547 3.875,548 4.55,549 4.993,550 4.993,551 4.993,552 2.736,553 3.824,554 4.555,555 3.382,556 933.489,557 7.866,558 10650.2,560 1,563 179.525,564 1.406,565 4.518,566 0.185,567 0.008,568 0.074,569 0.049,570 0.042,571 0.021,572 0.023,573 0.013,574 0.013,575 0.011,576 0.439,577 0.33,578 1,579 0.757,580 112.925,581 -0.083,582 -0.132,583 0.014,584 -0.072,585 -0.08,586 -0.004,587 -0.111,588 -0.001,589 0.048,590 0.072,591 -0.032,592 0.098,593 0.011,594 -0.079,595 -0.038,596 -0.094,597 0.051,598 -0.099,599 -0.045,600 -0.095,601 -0.109,602 -0.13,603 -0.103,604 -0.165,605 -0.026,606 0.013,607 -0.015,608 -0.007,609 0.026,610 0.054,611 -0.15,612 -0.005,613 -0.056,614 0.054,615 -0.117,616 -0.018,617 0.208,618 0.068,619 0.139,620 0.004,621 0.156,622 -0.002,623 0.055,624 -0.056,625 -0.089,626 -0.062,627 0.032,628 -0.138,629 2.147,630 5.286,631 0.792,632 19.292,633 1.035,634 1.122,635 3.256,636 10.605,637 0.729,638 3.332,639 3.689,640 4.007,641 4.304,642 4.585,643 4.71,644 4.89,645 5.063,646 5.081,647 5.17,648 5.657,649 0.724,650 343.76,651 3.332,652 4.89,653 5.765,654 6.663,655 7.557,656 8.463,657 9.366,658 10.275,659 11.183,660 12.096,661 8.6,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,712 1,721 16,722 1,734 1,735 1,736 11,737 6,738 1,739 7,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,782 1,783 1,785 24,790 1,791 1,800 2,801 5.7,806 2,808 12,809 6.852,810 5.222,811 1.923,812 4.301,813 1.564,814 1.04,815 3.75,816 11.93,817 3.651,818 4.366,819 5.061,820 5.752,821 6.398,822 6.833,823 7.355,824 7.879,825 8.17,826 8.573,827 0.857,828 40,829 8.812,831 3.841,832 7.942,833 16.331,835 13.348,837 2.442,838 58.611,842 117.711,843 113.698,844 51.582,845 39.149,846 20.507,847 14.96,849 113.698,850 177.367,851 66.542,852 10.883,854 56.857,855 45.342,856 72.475,857 26.96,858 105.94,859 39.149,860 117.711,861 165.28,862 35.467,863 39.149,865 132.671,866 20.507,869 28.773,870 102.936,871 72.72,873 132.671,874 72.089,875 152.847,878 117.711,879 37.339,880 76.359,881 18.011,882 108.187,883 117.711,884 87.049,885 152.847,887 0.588,888 0.355,889 0.189,890 0.108,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.603,898 205.322,899 0.211,900 19,901 110.039,904 15.181,905 5.928,906 2.695,907 2.679,908 87.049,909 11.284,910 8.495,912 5.878,914 1.303,916 18.011,917 357.607,918 37.5,926 36.214,927 39.273,928 0.363,929 0.755,930 0.887,931 0.974,932 0.974,933 0.974,934 4.885,935 1.414,936 5.765,937 4.098,938 4.369,939 5.053,940 1.029,941 6.611,942 4.26,943 6.135,944 1.298,945 7.345,946 3.522,947 4.007,948 5.007,950 7.554,951 3.83,952 7.474,953 0.656,954 9.022,955 3.094,956 5.999,957 7.42,958 0.763,959 10.677,960 5.817,961 8.853,962 0.425,963 10.756,964 1.571,965 6.447,966 8.213,968 12.459,969 6.215,970 10.263,971 0.232,972 12.525,973 0.735,974 7.919,975 10.105,976 0.597,977 15.112,978 7.685,979 11.696,980 -0.163,981 14.321,982 0.501,983 8.746,984 11.306,986 17.265,987 8.482,988 13.149,989 -0.555,990 16.136,991 -0.396,992 10.016,993 12.992,994 0.47,995 19.765,996 9.748,997 3.269,998 -0.675,999 17.967,1000 -1.357,1001 11.023,1002 14.393,1004 22.08,1005 10.738,1006 2.845,1007 11.485,1008 19.811,1009 -1.771,1010 12.216,1011 15.999,1012 0.367,1013 24.532,1014 11.926,1015 2.638,1016 8.725,1017 21.666,1018 4.851,1019 13.308,1020 17.493,1022 26.917,1023 13.008,1024 2.323,1025 8.224,1026 23.53,1027 3.886,1028 14.477,1029 19.072,1030 0.283,1031 29.356,1032 14.171,1033 2.055,1034 6.977,1035 25.403,1036 3.718,1037 15.608,1038 20.609,1040 31.772,1041 15.295,1042 1.804,1043 6.256,1044 27.283,1045 3.073,1046 16.772,1047 22.181,1048 0.217,1049 34.209,1050 16.452,1051 1.43,1052 5.452,1053 29.169,1054 2.761,1055 17.924,1056 23.739,1058 36.637,1059 17.597,1060 6024,1061 11564,1062 18.205,1063 25.529,1064 40.851,1065 42.071,1066 42.39,1067 40.88,1068 40.773,1069 57.046,1070 2.52,1071 121.279,1072 38.199,1073 5.517,1074 5.323,1075 6.412,1076 5.33,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.217,1082 10.999,1083 1.513,1084 1.558,1085 1.57,1086 1.514,1087 1.51,1088 2.113,1089 0.093,1090 4.492,1091 1.415,1092 4.183,1093 4.192,1094 4.17,1095 4.065,1096 8.201,1097 4.088,1098 3.906,1099 3.929,1100 4.008,1101 3.834,1102 5.259,1103 3.834,1104 3.658,1105 3.694,1106 3.629,1107 3.509,1108 4.871,1109 3.531,1110 3.266,1111 3.324,1112 3.334,1113 3.001,1114 4.795,1115 3.026,1116 3.079,1117 3.142,1118 3.136,1119 2.855,1120 4.566,1121 2.879,1122 3.038,1123 3.082,1124 2.992,1125 2.83,1126 4.371,1127 2.838,1128 2.877,1129 2.921,1130 2.899,1131 2.782,1132 4.173,1133 2.761,1134 2.829,1135 2.891,1136 2.69,1137 2.685,1138 3.931,1139 2.676,1140 0.176,1141 0.123,1142 0.254,1143 0.158,1144 0.121,1145 4.753,1146 0.18,1147 3.323,1148 0.032,1149 6.864,1150 0.425,1151 4.253,1152 0.119,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.941,1159 1.923,1160 2.006,1161 2.044,1162 1.146,1163 2.03,1164 1.878,1165 1.858,1166 1.947,1167 1.994,1168 1.049,1169 1.981,1170 1.705,1171 1.685,1172 1.753,1173 1.879,1174 0.786,1175 1.85,1176 1.206,1177 1.147,1178 1.564,1179 1.522,1180 0.571,1181 1.532,1182 0.972,1183 0.927,1184 1.169,1185 1.234,1186 0.202,1187 1.211,1188 0.96,1189 0.907,1190 1.15,1191 1.217,1192 0.185,1193 1.186,1194 0.867,1195 0.824,1196 1.046,1197 1.011,1198 0.143,1199 1.051,1200 0.797,1201 0.747,1202 0.969,1203 0.963,1204 0.037,1205 0.966,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.537,1213 7.066,1214 10.221,1216 1.592,1217 5.811,1218 13.286,1223 3.077,1224 5.207,1231 25.339,1232 65.229,1233 135.609,1234 159.26,1235 174.77,1236 174.77,1237 174.77,1238 35.556,1239 7.629,1240 60.18,1241 60.18,1242 23,1243 12.61,1244 4.459,1245 3.524,1246 33.845,1247 81,1248 84,1249 0.209,1250 155.827,1251 257.72,1252 371.977,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.553,1258 16.311,1259 13.264,1260 11.652,1261 0.432,1262 0.277,1263 6.974,1264 10.79,1265 6.81,1266 5.612,1267 11.53,1268 7.466,1269 10.635,1270 0.273,1271 0.142,1272 10.547,1273 5.525,1274 9.463,1275 0.175,1276 0.073,1277 9.063,1278 3.932,1279 7.826,1280 0.107,1281 0.036,1282 7.995,1283 2.662,1284 6.672,1285 0.069,1286 0.018,1287 6.582,1288 1.782,1289 0.322,1290 77.203,1291 0.234,1292 23.146,1293 0.59,1294 132,1295 493.409,1296 164.042,1297 474.833,1298 638.03,1299 444,1300 159,1301 451.197,1302 189.14,1303 458.251,1304 676.19,1305 430,1306 5} {0 CHEMBL2313896,1 1.864,2 9.792,3 4.926,4 24.264,5 87.835,6 9.822,7 0.778,8 3.726,9 3.805,10 3.52,11 3.302,12 4.991,13 3.331,14 4.202,15 4.311,16 3.922,17 3.667,18 5.488,19 3.697,20 4.366,21 4.488,22 3.995,23 3.737,24 5.702,25 3.753,26 4.371,27 4.521,28 3.894,29 3.649,30 5.707,31 3.654,32 4.282,33 4.473,34 3.698,35 3.532,36 5.494,37 3.526,38 4.191,39 4.345,40 3.679,41 3.475,42 5.507,43 3.483,44 4.095,45 4.26,46 3.61,47 3.379,48 5.422,49 3.367,50 3.885,51 4.044,52 3.46,53 3.246,54 5.163,55 3.21,56 0.151,57 0.564,58 3.375,59 2.795,60 6.264,61 2.619,62 0.365,63 0.888,64 8.071,65 4.72,66 19.829,67 4.379,68 0.582,69 1.065,70 12.658,71 5.654,72 36.009,73 5.303,74 0.667,75 1.046,76 13.929,77 5.928,78 48.475,79 5.541,80 0.498,81 0.953,82 13.526,83 5.536,84 40.058,85 6.174,86 0.56,87 0.859,88 11.333,89 4.724,90 34.968,91 4.448,92 0.474,93 0.82,94 10.161,95 4.544,96 36.702,97 4.751,98 0.336,99 0.616,100 8.458,101 3.757,102 19.667,103 3.748,104 11,105 39,106 0.333,107 0.692,108 0.813,109 0.892,110 0.892,111 0.892,112 3.229,113 0.83,114 -4.49,115 -4.41,116 -4.16,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 5,164 1,166 1,168 6,171 2,172 3,174 1,176 2,178 3,181 1,182 6,185 1,187 1,194 5,199 3,205 1,206 4,211 1,213 1,216 1,217 3,220 1,224 4,229 1,237 5,242 2,250 3,255 758,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.358,263 9.46,264 16.949,265 13.275,266 13.275,267 13.275,268 13.275,269 13.275,270 9.49,271 21.321,272 4.429,273 14.135,274 3.266,275 1.255,276 0.579,277 0.136,278 0.136,279 0.136,280 3.929,281 1,284 1,285 515,286 2.55,288 34.152,289 163.798,291 139.368,295 1.476,296 29.099,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53.333,307 235,308 4.753,309 3.32,310 6.865,311 4.254,312 3.271,313 4.851,314 0.86,315 11.488,316 3.217,317 4.252,318 3.204,319 6.141,320 3.822,321 2.877,322 3.904,323 0.4,324 9.021,325 2.707,326 4.036,327 2.848,328 5.935,329 3.564,330 2.608,331 3.706,333 8.27,334 2.488,335 3.637,336 2.725,337 5.375,338 3.203,339 2.275,340 3.052,342 6.849,343 2.105,344 3.431,345 2.48,346 5.015,347 2.951,348 2.067,349 2.751,351 5.827,352 1.766,353 3.285,354 1.943,355 4.937,356 2.775,357 1.813,358 2.65,360 5.469,361 1.721,362 2.92,363 1.779,364 4.508,365 2.452,366 1.507,367 2.102,369 4.277,370 1.406,371 2.841,372 1.473,373 4.112,374 2.325,375 1.384,376 1.986,378 3.568,379 1.295,380 2.751,381 1.313,382 3.841,383 2.238,384 1.283,385 1.864,386 3.091,387 1.219,388 2.056,389 1.045,390 3.286,391 1.611,392 0.668,393 0.891,394 1.604,395 0.621,396 1.646,397 0.772,398 2.978,399 1.315,400 0.441,401 0.512,402 0.793,403 0.379,404 1.538,405 0.488,406 2.828,407 1.148,408 0.243,409 0.31,411 0.523,412 0.21,413 1.063,414 0.245,415 2.407,416 0.603,417 -0.304,418 -0.398,420 -0.728,421 -0.257,422 0.804,423 -0.067,424 2.359,425 0.334,426 -0.514,427 -0.621,429 -1.242,430 -0.361,431 0.797,432 -0.361,433 2.339,434 0.305,435 -0.653,436 -0.866,438 -1.615,439 -0.61,440 11.367,441 0.474,442 0.606,443 0.025,444 35.5,445 1.479,446 19,447 0.792,448 16.5,449 0.688,450 15.696,451 0.654,452 24.633,453 0.704,454 24.923,455 1.038,456 7.221,457 0.301,458 4.431,459 0.185,460 0.132,462 0.396,464 1,466 0.747,467 1.048,468 0.512,469 0.903,470 0.593,471 0.768,472 0.959,473 0.919,474 0.621,475 0.801,476 0.685,477 0.724,478 1.049,479 1.052,480 1.005,481 1,482 0.993,483 0.961,484 1.06,485 1.17,486 0.945,487 1.1,488 1.104,489 1.091,490 0.827,491 0.927,492 0.625,493 0.898,494 0.763,495 0.895,496 1.04,497 1.012,498 0.906,499 0.901,500 0.892,501 0.944,502 0.931,503 1.012,504 0.815,505 0.969,506 1.077,507 1.009,508 0.891,509 0.998,510 0.986,511 0.998,512 0.835,513 1.045,514 5,515 0.063,516 2.889,517 1.951,518 1.475,519 0.664,520 0.572,521 0.424,522 0.183,523 0.186,524 6251,525 22301,526 2.135,527 31.4,529 9,531 1,532 1,536 1.671,537 2,538 3.255,539 -0.26,545 65.229,546 1.864,547 3.875,548 4.55,549 4.993,550 4.993,551 4.993,552 2.701,553 3.939,554 4.555,555 3.361,556 927.624,557 7.87,558 10537.7,560 1,563 179.525,564 1.406,565 4.518,566 0.185,567 0.007,568 0.074,569 0.049,570 0.043,571 0.022,572 0.02,573 0.017,574 0.009,575 0.013,576 0.44,577 0.33,578 1,579 0.757,580 112.66,581 -0.083,582 -0.132,583 0.014,584 -0.072,585 -0.08,586 -0.004,587 -0.111,588 -0.001,589 0.048,590 0.072,591 -0.026,592 0.098,593 -0.036,594 -0.041,595 -0.143,596 -0.088,597 -0.055,598 -0.116,599 -0.019,600 -0.116,601 -0.095,602 -0.169,603 -0.033,604 -0.186,605 0.016,606 -0.003,607 0.144,608 0.038,609 0.051,610 0.121,611 -0.037,612 -0.04,613 -0.101,614 0.011,615 0.001,616 -0.038,617 0.086,618 0.044,619 0.047,620 -0.012,621 0.038,622 -0.047,623 -0.036,624 -0.081,625 0.024,626 -0.029,627 0.008,628 -0.066,629 2.146,630 6.002,631 0.792,632 18.979,633 1.035,634 1.122,635 3.256,636 10.605,637 0.729,638 3.332,639 3.689,640 4.007,641 4.317,642 4.595,643 4.718,644 4.89,645 5.069,646 5.094,647 5.165,648 5.583,649 0.724,650 343.76,651 3.332,652 4.89,653 5.765,654 6.666,655 7.561,656 8.468,657 9.372,658 10.284,659 11.193,660 12.107,661 8.6,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,712 1,721 16,722 1,734 1,735 1,736 11,737 6,738 1,739 7,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,782 1,783 1,785 24,790 1,791 1,800 2,801 5.7,806 2,808 12,809 6.852,810 5.222,811 1.923,812 4.33,813 1.568,814 1.04,815 3.75,816 11.959,817 3.651,818 4.366,819 5.061,820 5.757,821 6.402,822 6.837,823 7.355,824 7.882,825 8.177,826 8.569,827 0.857,828 40,829 8.826,831 3.856,832 7.942,833 16.331,835 13.348,837 2.442,838 58.611,842 117.711,843 113.698,844 51.582,845 39.149,846 20.507,847 14.96,849 113.698,850 177.367,851 66.542,852 10.883,854 56.857,855 45.342,856 72.475,857 26.96,858 105.94,859 39.149,860 117.711,861 165.28,862 35.467,863 39.149,865 132.671,866 20.507,869 28.773,870 102.936,871 72.72,873 132.671,874 72.089,875 152.847,878 117.711,879 37.339,880 76.359,881 18.011,882 108.187,883 117.711,884 87.049,885 152.847,887 0.587,888 0.352,889 0.194,890 0.11,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.591,898 206.108,899 0.211,900 19,901 110.039,904 15.181,905 5.928,906 2.695,907 2.52,908 87.049,909 11.213,910 8.42,912 5.846,914 1.135,916 18.011,917 357.607,918 37.5,926 36.214,927 39.273,928 0.363,929 0.755,930 0.887,931 0.974,932 0.974,933 0.974,934 4.885,935 1.384,936 5.765,937 4.277,938 4.369,939 5.053,940 1.029,941 6.613,942 4.26,943 6.135,944 1.283,945 7.345,946 3.568,947 4.007,948 5.007,950 7.564,951 3.83,952 7.474,953 0.668,954 9.023,955 3.091,956 5.999,957 7.42,958 0.763,959 10.69,960 5.821,961 8.853,962 0.441,963 10.757,964 1.604,965 6.447,966 8.213,968 12.481,969 6.228,970 10.263,971 0.243,972 12.529,973 0.793,974 7.921,975 10.106,976 0.597,977 15.136,978 7.7,979 11.697,980 -0.304,981 14.327,982 0.523,983 8.751,984 11.308,986 17.292,987 8.506,988 13.151,989 -0.514,990 16.145,991 -0.728,992 10.022,993 12.993,994 0.47,995 19.791,996 9.772,997 3.271,998 -0.653,999 17.979,1000 -1.242,1001 11.032,1002 14.395,1004 22.106,1005 10.767,1006 2.877,1007 11.488,1008 19.826,1009 -1.615,1010 12.227,1011 16.001,1012 0.367,1013 24.556,1014 11.954,1015 2.608,1016 9.021,1017 21.683,1018 4.851,1019 13.321,1020 17.495,1022 26.939,1023 13.037,1024 2.275,1025 8.27,1026 23.55,1027 3.904,1028 14.491,1029 19.074,1030 0.283,1031 29.376,1032 14.198,1033 2.067,1034 6.849,1035 25.425,1036 3.706,1037 15.624,1038 20.611,1040 31.789,1041 15.321,1042 1.813,1043 5.827,1044 27.306,1045 3.052,1046 16.79,1047 22.183,1048 0.217,1049 34.224,1050 16.477,1051 1.507,1052 5.469,1053 29.193,1054 2.751,1055 17.942,1056 23.741,1058 36.651,1059 17.62,1060 5958,1061 11388,1062 18.205,1063 25.529,1064 40.956,1065 41.887,1066 42.431,1067 41.004,1068 40.871,1069 57.159,1070 2.52,1071 121.562,1072 38.267,1073 5.523,1074 5.32,1075 6.412,1076 5.331,1077 5.271,1078 7.851,1079 1.72,1080 18.879,1081 5.217,1082 10.913,1083 1.517,1084 1.551,1085 1.572,1086 1.519,1087 1.514,1088 2.117,1089 0.093,1090 4.502,1091 1.417,1092 4.183,1093 4.193,1094 4.17,1095 4.065,1096 8.201,1097 4.088,1098 3.906,1099 3.93,1100 4,1101 3.834,1102 5.258,1103 3.834,1104 3.657,1105 3.693,1106 3.633,1107 3.51,1108 4.9,1109 3.531,1110 3.265,1111 3.323,1112 3.382,1113 3.005,1114 4.801,1115 3.028,1116 3.072,1117 3.128,1118 3.128,1119 2.873,1120 4.567,1121 2.886,1122 3.033,1123 3.08,1124 2.953,1125 2.831,1126 4.331,1127 2.841,1128 2.898,1129 2.957,1130 2.811,1131 2.733,1132 4.156,1133 2.734,1134 2.827,1135 2.889,1136 2.749,1137 2.691,1138 3.902,1139 2.679,1140 0.176,1141 0.123,1142 0.254,1143 0.158,1144 0.121,1145 4.753,1146 0.18,1147 3.32,1148 0.032,1149 6.865,1150 0.425,1151 4.254,1152 0.119,1153 3.271,1154 4.851,1155 0.86,1156 11.488,1157 3.217,1158 1.941,1159 1.923,1160 2.006,1161 2.044,1162 1.146,1163 2.029,1164 1.877,1165 1.857,1166 1.944,1167 1.994,1168 1.048,1169 1.981,1170 1.705,1171 1.686,1172 1.754,1173 1.878,1174 0.788,1175 1.85,1176 1.206,1177 1.147,1178 1.564,1179 1.522,1180 0.571,1181 1.532,1182 0.977,1183 0.928,1184 1.169,1185 1.227,1186 0.208,1187 1.209,1188 0.963,1189 0.918,1190 1.133,1191 1.201,1192 0.184,1193 1.183,1194 0.86,1195 0.804,1196 1.098,1197 1.068,1198 0.146,1199 1.078,1200 0.798,1201 0.75,1202 0.971,1203 0.959,1204 0.047,1205 0.965,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1216 1.583,1217 5.773,1218 14.002,1223 2.922,1224 5.197,1231 25.339,1232 65.229,1233 135.609,1234 159.26,1235 174.77,1236 174.77,1237 174.77,1238 36.606,1239 7.629,1240 60.18,1241 60.18,1242 23,1243 12.62,1244 4.459,1245 3.524,1246 33.814,1247 80,1248 84,1249 0.212,1250 155.827,1251 257.72,1252 371.977,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.553,1258 16.311,1259 13.264,1260 11.652,1261 0.432,1262 0.277,1263 6.974,1264 10.77,1265 6.81,1266 5.61,1267 11.53,1268 7.466,1269 10.657,1270 0.273,1271 0.142,1272 10.536,1273 5.55,1274 9.335,1275 0.173,1276 0.072,1277 9.18,1278 3.879,1279 7.992,1280 0.108,1281 0.036,1282 7.684,1283 2.648,1284 6.706,1285 0.068,1286 0.018,1287 6.803,1288 1.811,1289 0.325,1290 77.203,1291 0.234,1292 23.093,1293 0.602,1294 132,1295 493.409,1296 164.042,1297 474.759,1298 637.97,1299 444,1300 159,1301 451.197,1302 186.316,1303 458.055,1304 675.45,1305 430,1306 5} {0 CHEMBL2313897,1 1.807,2 9.792,3 4.467,4 19.954,5 83.247,6 9.352,7 0.778,8 3.73,9 3.814,10 3.479,11 3.268,12 5.034,13 3.315,14 4.208,15 4.322,16 3.866,17 3.619,18 5.55,19 3.675,20 4.375,21 4.508,22 3.939,23 3.674,24 5.773,25 3.726,26 4.379,27 4.537,28 3.817,29 3.608,30 5.836,31 3.632,32 4.285,33 4.479,34 3.658,35 3.515,36 5.534,37 3.516,38 4.197,39 4.356,40 3.641,41 3.435,42 5.548,43 3.466,44 4.101,45 4.273,46 3.526,47 3.327,48 5.499,49 3.34,50 3.898,51 4.066,52 3.306,53 3.154,54 5.311,55 3.16,56 0.183,57 0.654,58 3.902,59 2.968,60 11.225,61 2.687,62 0.419,63 1.026,64 8.583,65 4.845,66 26.584,67 4.375,68 0.672,69 1.241,70 11.42,71 5.605,72 52.843,73 5.038,74 0.813,75 1.284,76 12.829,77 5.803,78 83.894,79 5.448,80 0.564,81 1,82 13.572,83 5.406,84 48.948,85 6.213,86 0.62,87 0.939,88 10.949,89 4.619,90 45.67,91 4.353,92 0.532,93 0.927,94 10.194,95 4.503,96 47.175,97 4.743,98 0.433,99 0.756,100 7.944,101 3.7,102 31.766,103 3.683,104 11,105 39,106 0.323,107 0.671,108 0.802,109 0.892,110 0.892,111 0.892,112 3.229,113 0.788,114 -4.37,115 -4.3,116 -4.06,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 5,164 1,166 1,168 4,171 2,172 3,174 1,176 2,178 2,181 1,182 6,185 1,187 1,194 5,199 2,205 1,206 4,211 1,213 1,216 1,217 2,220 1,224 4,237 5,242 1,250 2,255 758,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.384,263 9.46,264 16.875,265 13.275,266 13.275,267 13.275,268 13.275,269 13.275,270 9.49,271 21.353,272 4.429,273 13.987,274 3.323,275 1.369,276 0.636,277 0.136,278 0.136,279 0.136,280 3.929,284 1,285 515,286 2.55,288 34.152,289 163.798,291 139.368,295 1.476,296 34.959,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.5,307 235,308 4.753,309 3.319,310 6.865,311 4.254,312 3.271,313 4.851,314 0.86,315 11.488,316 3.217,317 4.252,318 3.201,319 6.141,320 3.828,321 2.877,322 3.904,323 0.4,324 9.021,325 2.725,326 4.036,327 2.845,328 5.935,329 3.567,330 2.608,331 3.706,333 8.27,334 2.498,335 3.637,336 2.708,337 5.375,338 3.21,339 2.275,340 3.052,342 6.849,343 2.119,344 3.431,345 2.478,346 5.015,347 2.995,348 2.067,349 2.751,351 5.827,352 1.899,353 3.285,354 1.943,355 4.937,356 2.776,357 1.813,358 2.65,360 5.469,361 1.746,362 2.92,363 1.779,364 4.508,365 2.453,366 1.507,367 2.102,369 4.277,370 1.412,371 2.841,372 1.472,373 4.112,374 2.325,375 1.384,376 1.986,378 3.568,379 1.296,380 2.751,381 1.313,382 3.841,383 2.238,384 1.283,385 1.864,386 3.091,387 1.22,388 2.056,389 1.044,390 3.286,391 1.614,392 0.668,393 0.891,394 1.604,395 0.626,396 1.646,397 0.768,398 2.978,399 1.32,400 0.441,401 0.512,402 0.793,403 0.384,404 1.538,405 0.486,406 2.828,407 1.164,408 0.243,409 0.31,411 0.523,412 0.221,413 1.063,414 0.235,415 2.407,416 0.613,417 -0.304,418 -0.398,420 -0.728,421 -0.275,422 0.804,423 -0.069,424 2.359,425 0.362,426 -0.514,427 -0.621,429 -1.242,430 -0.426,431 0.797,432 -0.361,433 2.339,434 0.312,435 -0.653,436 -0.866,438 -1.615,439 -0.617,440 10.938,441 0.456,442 0.606,443 0.025,444 35.5,445 1.479,446 19,447 0.792,448 16.5,449 0.688,450 14.962,451 0.623,452 25.062,453 0.716,454 25.657,455 1.069,456 7.352,457 0.306,458 4.3,459 0.179,460 0.098,462 0.411,464 2,466 0.703,467 0.972,468 0.571,469 0.996,470 0.557,471 0.811,472 0.899,473 0.91,474 0.687,475 0.904,476 0.643,477 0.769,478 1.068,479 1.054,480 0.949,481 0.987,482 1.033,483 0.941,484 0.961,485 0.98,486 1.078,487 1.051,488 0.875,489 1.092,490 0.707,491 0.736,492 0.832,493 0.908,494 0.576,495 0.921,496 0.977,497 0.927,498 1.019,499 0.905,500 0.815,501 0.946,502 0.86,503 0.914,504 0.965,505 1.017,506 0.903,507 1.048,508 0.889,509 1.093,510 1.03,511 1.062,512 0.904,513 1.093,514 5,515 0.063,516 2.889,517 1.951,518 1.475,519 0.664,520 0.572,521 0.424,522 0.183,523 0.186,524 6251,525 22301,526 2.135,527 31.4,529 9,531 1,532 1,536 1.671,537 2,538 3.255,539 -0.26,541 1,545 63.229,546 1.807,547 3.76,548 4.493,549 4.993,550 4.993,551 4.993,552 2.701,553 3.939,554 4.555,555 3.361,556 927.624,557 7.87,558 10537.7,560 1,562 1,563 179.525,564 1.406,565 4.518,566 0.185,567 0.007,568 0.074,569 0.049,570 0.043,571 0.022,572 0.02,573 0.017,574 0.009,575 0.013,576 0.44,577 0.33,578 1,579 0.757,580 112.66,581 -0.076,582 -0.113,583 0.031,584 -0.082,585 -0.065,586 -0.004,587 -0.106,588 -0.048,589 0.06,590 0.016,591 -0.018,592 0.081,593 -0.072,594 -0.047,595 -0.103,596 -0.054,597 -0.096,598 -0.087,599 0.019,600 -0.001,601 -0.153,602 -0.107,603 0.069,604 -0.175,605 0.038,606 0.037,607 0.158,608 0.04,609 0.058,610 0.116,611 -0.055,612 -0.047,613 -0.096,614 0.019,615 -0.036,616 -0.026,617 0.086,618 0.043,619 0.006,620 -0.053,621 0.041,622 -0.075,623 0.019,624 -0.127,625 -0.082,626 -0.094,627 0.041,628 -0.12,629 2.389,630 5.846,631 0.792,632 18.979,633 1.04,634 1.133,635 3.14,636 9.858,637 0.703,638 3.332,639 3.689,640 4.007,641 4.317,642 4.595,643 4.718,644 4.89,645 5.069,646 5.094,647 5.165,648 5.583,649 0.711,650 327.31,651 3.332,652 4.89,653 5.765,654 6.666,655 7.561,656 8.468,657 9.372,658 10.284,659 11.193,660 12.107,661 8.6,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,721 16,722 1,733 1,734 2,735 1,736 11,737 7,738 1,739 7,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,783 2,785 24,790 1,791 1,800 2,801 5.7,806 2,808 12,809 6.852,810 5.222,811 1.923,812 4.33,813 1.568,814 1.046,815 3.546,816 11.959,817 3.651,818 4.366,819 5.061,820 5.757,821 6.402,822 6.837,823 7.355,824 7.882,825 8.177,826 8.569,827 0.857,828 40,829 8.868,831 3.932,832 8.104,833 16.192,835 13.24,837 2.604,838 62.5,842 117.711,843 119.319,844 51.582,846 20.507,847 29.92,849 119.319,850 138.218,851 81.502,852 10.883,854 56.857,855 45.342,856 78.096,857 41.921,858 105.94,860 117.711,861 170.901,862 50.427,865 147.631,866 20.507,869 28.773,870 108.556,871 33.571,873 147.631,874 72.089,875 119.319,878 117.711,879 42.96,880 76.359,881 18.011,882 83.999,883 117.711,884 102.009,885 119.319,887 0.587,888 0.352,889 0.194,890 0.11,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.591,898 206.108,899 0.211,900 19,901 110.039,904 14.851,905 5.73,906 2.586,907 2.334,908 102.009,909 9.966,910 8.32,912 5.798,914 -0.343,916 18.011,917 339.039,918 37.5,926 36.403,927 39.669,928 0.352,929 0.733,930 0.876,931 0.974,932 0.974,933 0.974,934 4.885,935 1.384,936 5.765,937 4.277,938 4.369,939 5.053,940 1.029,941 6.613,942 4.276,943 6.135,944 1.283,945 7.345,946 3.568,947 4.007,948 5.007,950 7.564,951 3.868,952 7.474,953 0.668,954 9.023,955 3.091,956 5.999,957 7.42,958 0.763,959 10.69,960 5.843,961 8.853,962 0.441,963 10.757,964 1.604,965 6.447,966 8.213,968 12.481,969 6.259,970 10.263,971 0.243,972 12.529,973 0.793,974 7.921,975 10.106,976 0.597,977 15.136,978 7.721,979 11.697,980 -0.304,981 14.327,982 0.523,983 8.751,984 11.308,986 17.292,987 8.529,988 13.151,989 -0.514,990 16.145,991 -0.728,992 10.022,993 12.993,994 0.47,995 19.791,996 9.79,997 3.271,998 -0.653,999 17.979,1000 -1.242,1001 11.032,1002 14.395,1004 22.106,1005 10.785,1006 2.877,1007 11.488,1008 19.826,1009 -1.615,1010 12.227,1011 16.001,1012 0.367,1013 24.556,1014 11.969,1015 2.608,1016 9.021,1017 21.683,1018 4.851,1019 13.321,1020 17.495,1022 26.939,1023 13.051,1024 2.275,1025 8.27,1026 23.55,1027 3.904,1028 14.491,1029 19.074,1030 0.283,1031 29.376,1032 14.21,1033 2.067,1034 6.849,1035 25.425,1036 3.706,1037 15.624,1038 20.611,1040 31.789,1041 15.332,1042 1.813,1043 5.827,1044 27.306,1045 3.052,1046 16.79,1047 22.183,1048 0.217,1049 34.224,1050 16.487,1051 1.507,1052 5.469,1053 29.193,1054 2.751,1055 17.942,1056 23.741,1058 36.651,1059 17.629,1060 5958,1061 11388,1062 18.205,1063 24.608,1064 40.956,1065 41.848,1066 42.431,1067 40.908,1068 40.871,1069 57.159,1070 2.52,1071 121.562,1072 38.726,1073 5.523,1074 5.319,1075 6.412,1076 5.331,1077 5.271,1078 7.851,1079 1.72,1080 18.879,1081 5.217,1082 10.913,1083 1.517,1084 1.55,1085 1.572,1086 1.515,1087 1.514,1088 2.117,1089 0.093,1090 4.502,1091 1.434,1092 4.183,1093 4.193,1094 4.168,1095 4.065,1096 8.211,1097 4.088,1098 3.911,1099 3.938,1100 3.879,1101 3.816,1102 8.191,1103 3.825,1104 3.658,1105 3.695,1106 3.613,1107 3.508,1108 5.257,1109 3.53,1110 3.266,1111 3.324,1112 3.155,1113 2.998,1114 4.807,1115 3.024,1116 3.078,1117 3.144,1118 3.028,1119 2.841,1120 4.583,1121 2.873,1122 3.038,1123 3.083,1124 2.92,1125 2.821,1126 4.522,1127 2.833,1128 2.898,1129 2.957,1130 2.811,1131 2.733,1132 4.19,1133 2.734,1134 2.829,1135 2.892,1136 2.69,1137 2.685,1138 3.957,1139 2.676,1140 0.176,1141 0.123,1142 0.254,1143 0.158,1144 0.121,1145 4.753,1146 0.18,1147 3.319,1148 0.032,1149 6.865,1150 0.425,1151 4.254,1152 0.119,1153 3.271,1154 4.851,1155 0.86,1156 11.488,1157 3.217,1158 1.941,1159 1.922,1160 2.006,1161 2.047,1162 1.146,1163 2.031,1164 1.875,1165 1.852,1166 1.954,1167 1.999,1168 1.036,1169 1.985,1170 1.705,1171 1.684,1172 1.757,1173 1.89,1174 0.786,1175 1.854,1176 1.206,1177 1.147,1178 1.564,1179 1.523,1180 0.571,1181 1.532,1182 0.973,1183 0.927,1184 1.169,1185 1.24,1186 0.198,1187 1.215,1188 0.961,1189 0.905,1190 1.143,1191 1.219,1192 0.183,1193 1.188,1194 0.86,1195 0.804,1196 1.099,1197 1.068,1198 0.146,1199 1.078,1200 0.796,1201 0.745,1202 0.971,1203 0.966,1204 0.042,1205 0.968,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1216 1.563,1218 26.873,1223 2.814,1224 5.174,1231 24.894,1232 63.229,1233 131.609,1234 157.26,1235 174.77,1236 174.77,1237 174.77,1238 41.939,1239 7.629,1240 60.18,1241 60.18,1242 23,1243 12.62,1244 4.459,1245 3.524,1246 33.814,1247 80,1248 84,1249 0.212,1250 148.692,1251 248.58,1252 354.568,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.521,1258 14.941,1259 12.508,1260 11.652,1261 0.432,1262 0.263,1263 6.919,1264 10.961,1265 6.81,1266 5.61,1267 10.848,1268 7.088,1269 10.657,1270 0.273,1271 0.131,1272 9.505,1273 5.113,1274 9.335,1275 0.173,1276 0.067,1277 8.481,1278 3.644,1279 7.992,1280 0.108,1281 0.034,1282 7.376,1283 2.489,1284 6.706,1285 0.068,1286 0.017,1287 6.277,1288 1.689,1289 0.325,1290 74.894,1291 0.234,1292 23.093,1293 0.602,1294 132,1295 553.316,1296 152.354,1297 474.759,1298 637.97,1299 444,1300 159,1301 467.668,1302 179.468,1303 458.055,1304 675.45,1305 430,1306 5} {0 CHEMBL2313898,1 1.864,2 9.792,3 5.01,4 25.099,5 90.653,6 11.092,7 0.778,8 3.723,9 3.802,10 3.624,11 3.32,12 4.975,13 3.338,14 4.199,15 4.308,16 4.059,17 3.692,18 5.465,19 3.707,20 4.361,21 4.483,22 4.133,23 3.769,24 5.676,25 3.765,26 4.367,27 4.517,28 4.077,29 3.671,30 5.657,31 3.664,32 4.28,33 4.472,34 3.8,35 3.541,36 5.48,37 3.53,38 4.189,39 4.342,40 3.775,41 3.496,42 5.492,43 3.491,44 4.091,45 4.257,46 3.806,47 3.406,48 5.394,49 3.379,50 3.879,51 4.039,52 3.788,53 3.292,54 5.105,55 3.231,56 0.136,57 0.559,58 1.658,59 2.802,60 5.864,61 2.606,62 0.339,63 0.888,64 5.966,65 4.861,66 19.296,67 4.418,68 0.541,69 1.077,70 16.204,71 6.189,72 32.405,73 5.514,74 0.595,75 1.071,76 16.396,77 6.423,78 38.416,79 5.64,80 0.464,81 0.964,82 13.079,83 5.657,84 37.996,85 6.163,86 0.532,87 0.868,88 12.464,89 5.037,90 33.224,91 4.541,92 0.445,93 0.833,94 9.077,95 4.722,96 34.022,97 4.771,98 0.289,99 0.627,100 8.252,101 4.116,102 17.003,103 3.81,104 11,105 39,106 0.333,107 0.692,108 0.813,109 0.892,110 0.892,111 0.892,112 3.229,113 0.876,114 -4.6,115 -4.52,116 -4.26,117 1,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 5,164 1,166 1,168 6,171 2,172 3,174 1,176 2,178 3,181 1,182 6,185 1,187 1,194 5,199 3,205 1,206 4,211 1,213 1,216 1,217 3,220 1,224 4,229 1,237 5,242 2,250 3,255 758,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.4,263 9.46,264 16.976,265 13.275,266 13.275,267 13.275,268 13.275,269 13.275,270 9.49,271 21.373,272 4.429,273 14.191,274 3.266,275 1.255,276 0.579,277 0.136,278 0.136,279 0.136,280 3.929,284 1,285 515,286 2.55,288 34.152,289 163.798,291 139.368,295 1.476,296 27.047,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.75,307 235,308 4.753,309 3.319,310 6.865,311 4.254,312 3.271,313 4.851,314 0.86,315 11.488,316 3.217,317 4.252,318 3.198,319 6.141,320 3.821,321 2.877,322 3.904,323 0.4,324 9.021,325 2.702,326 4.036,327 2.844,328 5.935,329 3.563,330 2.608,331 3.706,333 8.27,334 2.485,335 3.637,336 2.697,337 5.375,338 3.201,339 2.275,340 3.052,342 6.849,343 2.103,344 3.431,345 2.477,346 5.015,347 2.937,348 2.067,349 2.751,351 5.827,352 1.755,353 3.285,354 1.943,355 4.937,356 2.775,357 1.813,358 2.65,360 5.469,361 1.67,362 2.92,363 1.779,364 4.508,365 2.451,366 1.507,367 2.102,369 4.277,370 1.402,371 2.841,372 1.472,373 4.112,374 2.325,375 1.384,376 1.986,378 3.568,379 1.295,380 2.751,381 1.313,382 3.841,383 2.238,384 1.283,385 1.864,386 3.091,387 1.218,388 2.056,389 1.044,390 3.286,391 1.61,392 0.668,393 0.891,394 1.604,395 0.619,396 1.646,397 0.765,398 2.978,399 1.314,400 0.441,401 0.512,402 0.793,403 0.377,404 1.538,405 0.484,406 2.828,407 1.144,408 0.243,409 0.31,411 0.523,412 0.202,413 1.063,414 0.229,415 2.407,416 0.6,417 -0.304,418 -0.398,420 -0.728,421 -0.237,422 0.804,423 -0.07,424 2.359,425 0.329,426 -0.514,427 -0.621,429 -1.242,430 -0.336,431 0.797,432 -0.361,433 2.339,434 0.301,435 -0.653,436 -0.866,438 -1.615,439 -0.607,440 11.986,441 0.499,442 0.606,443 0.025,444 35.25,445 1.469,446 19,447 0.792,448 16.25,449 0.677,450 17.092,451 0.712,452 24.014,453 0.686,454 23.527,455 0.98,456 6.95,457 0.29,458 4.703,459 0.196,460 0.177,462 0.375,464 1,466 0.762,467 1.026,468 0.456,469 0.788,470 0.597,471 0.741,472 0.979,473 0.895,474 0.564,475 0.718,476 0.695,477 0.701,478 1.034,479 1.046,480 1.028,481 1.003,482 0.97,483 0.97,484 1.109,485 1.198,486 0.777,487 1.056,488 1.187,489 1.08,490 0.877,491 0.937,492 0.35,493 0.783,494 0.807,495 0.864,496 1.059,497 1.006,498 0.702,499 0.845,500 0.898,501 0.932,502 0.962,503 1.014,504 0.654,505 0.891,506 1.121,507 0.982,508 0.905,509 0.979,510 1.041,511 1,512 0.837,513 1.029,514 5,515 0.063,516 2.889,517 1.951,518 1.475,519 0.664,520 0.572,521 0.424,522 0.183,523 0.186,524 6251,525 22301,526 2.135,527 31.4,529 9,531 1,532 1,536 1.671,537 2,538 3.255,539 -0.26,545 65.229,546 1.864,547 3.875,548 4.55,549 4.993,550 4.993,551 4.993,552 2.701,553 3.939,554 4.555,555 3.361,556 927.624,557 7.87,558 10537.7,560 1,563 179.525,564 1.406,565 4.518,566 0.185,567 0.007,568 0.074,569 0.049,570 0.043,571 0.022,572 0.02,573 0.017,574 0.009,575 0.013,576 0.44,577 0.33,578 1,579 0.757,580 112.66,581 -0.083,582 -0.127,583 -0.001,584 -0.055,585 -0.078,586 -0.004,587 -0.11,588 0.014,589 0.018,590 0.082,591 -0.028,592 0.101,593 -0.012,594 -0.039,595 -0.115,596 -0.092,597 -0.027,598 -0.125,599 -0.043,600 -0.146,601 -0.027,602 -0.169,603 -0.089,604 -0.185,605 0.002,606 -0.015,607 0.079,608 0.033,609 0.043,610 0.12,611 -0.023,612 -0.035,613 -0.062,614 0.005,615 0.021,616 -0.042,617 0.081,618 0.04,619 0.045,620 0.006,621 0.031,622 -0.034,623 -0.072,624 -0.063,625 0.054,626 -0.003,627 -0.017,628 -0.043,629 2.061,630 6.056,631 0.792,632 18.979,633 1.032,634 1.119,635 3.372,636 11.37,637 0.744,638 3.332,639 3.689,640 4.007,641 4.317,642 4.595,643 4.718,644 4.89,645 5.069,646 5.094,647 5.165,648 5.583,649 0.73,650 388.21,651 3.332,652 4.89,653 5.765,654 6.666,655 7.561,656 8.468,657 9.372,658 10.284,659 11.193,660 12.107,661 8.6,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,703 1,704 38,705 17,706 16,707 6,708 6,710 4,711 7,721 16,722 1,734 1,735 1,736 11,737 6,738 1,739 7,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,780 1,781 1,783 1,785 24,790 1,791 1,800 2,801 5.7,806 2,808 12,809 6.852,810 5.222,811 1.923,812 4.33,813 1.568,814 1.046,815 3.866,816 11.959,817 3.651,818 4.366,819 5.061,820 5.757,821 6.402,822 6.837,823 7.355,824 7.882,825 8.177,826 8.569,827 0.857,828 40,829 8.831,831 3.839,832 7.885,833 16.441,835 13.434,837 2.385,838 57.25,842 117.711,843 113.253,844 97.536,846 20.507,847 14.96,849 159.207,850 138.218,851 66.542,852 10.883,854 56.857,855 45.342,856 72.03,857 26.96,858 105.94,859 45.954,860 117.711,861 164.835,862 35.467,864 45.954,865 132.671,866 20.507,869 28.773,870 102.49,871 33.571,872 45.954,873 132.671,874 72.089,875 159.207,878 117.711,879 36.894,880 76.359,881 63.965,882 69.038,883 117.711,884 87.049,885 159.207,887 0.587,888 0.352,889 0.194,890 0.11,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.591,898 206.108,899 0.211,900 19,901 110.039,904 15.364,905 6.039,906 2.757,907 2.586,908 87.049,909 11.649,910 8.455,912 5.863,914 1.652,916 18.011,917 363.967,918 37.5,926 36.12,927 39.171,928 0.363,929 0.755,930 0.887,931 0.974,932 0.974,933 0.974,934 4.885,935 1.384,936 5.765,937 4.277,938 4.369,939 5.053,940 1.029,941 6.613,942 4.254,943 6.135,944 1.283,945 7.345,946 3.568,947 4.007,948 5.007,950 7.564,951 3.817,952 7.474,953 0.668,954 9.023,955 3.091,956 5.999,957 7.42,958 0.763,959 10.69,960 5.815,961 8.853,962 0.441,963 10.757,964 1.604,965 6.447,966 8.213,968 12.481,969 6.22,970 10.263,971 0.243,972 12.529,973 0.793,974 7.921,975 10.106,976 0.597,977 15.136,978 7.694,979 11.697,980 -0.304,981 14.327,982 0.523,983 8.751,984 11.308,986 17.292,987 8.5,988 13.151,989 -0.514,990 16.145,991 -0.728,992 10.022,993 12.993,994 0.47,995 19.791,996 9.767,997 3.271,998 -0.653,999 17.979,1000 -1.242,1001 11.032,1002 14.395,1004 22.106,1005 10.763,1006 2.877,1007 11.488,1008 19.826,1009 -1.615,1010 12.227,1011 16.001,1012 0.367,1013 24.556,1014 11.95,1015 2.608,1016 9.021,1017 21.683,1018 4.851,1019 13.321,1020 17.495,1022 26.939,1023 13.033,1024 2.275,1025 8.27,1026 23.55,1027 3.904,1028 14.491,1029 19.074,1030 0.283,1031 29.376,1032 14.195,1033 2.067,1034 6.849,1035 25.425,1036 3.706,1037 15.624,1038 20.611,1040 31.789,1041 15.319,1042 1.813,1043 5.827,1044 27.306,1045 3.052,1046 16.79,1047 22.183,1048 0.217,1049 34.224,1050 16.475,1051 1.507,1052 5.469,1053 29.193,1054 2.751,1055 17.942,1056 23.741,1058 36.651,1059 17.618,1060 5958,1061 11388,1062 18.205,1063 26.023,1064 40.956,1065 41.825,1066 42.431,1067 41.043,1068 40.871,1069 57.159,1070 2.52,1071 121.562,1072 38.09,1073 5.523,1074 5.319,1075 6.412,1076 5.331,1077 5.271,1078 7.851,1079 1.72,1080 18.879,1081 5.217,1082 10.913,1083 1.517,1084 1.549,1085 1.572,1086 1.52,1087 1.514,1088 2.117,1089 0.093,1090 4.502,1091 1.411,1092 4.183,1093 4.193,1094 6.88,1095 4.066,1096 8.201,1097 4.088,1098 3.904,1099 3.928,1100 4.166,1101 3.851,1102 5.258,1103 3.839,1104 3.657,1105 3.693,1106 3.792,1107 3.512,1108 4.808,1109 3.532,1110 3.265,1111 3.323,1112 3.598,1113 3.02,1114 4.658,1115 3.03,1116 3.07,1117 3.126,1118 3.139,1119 2.913,1120 4.559,1121 2.896,1122 3.031,1123 3.079,1124 2.968,1125 2.832,1126 4.21,1127 2.844,1128 2.898,1129 2.956,1130 2.823,1131 2.733,1132 4.019,1133 2.734,1134 2.827,1135 2.889,1136 2.809,1137 2.697,1138 3.74,1139 2.68,1140 0.176,1141 0.123,1142 0.254,1143 0.158,1144 0.121,1145 4.753,1146 0.18,1147 3.319,1148 0.032,1149 6.865,1150 0.425,1151 4.254,1152 0.119,1153 3.271,1154 4.851,1155 0.86,1156 11.488,1157 3.217,1158 1.941,1159 1.923,1160 2.005,1161 2.043,1162 1.147,1163 2.029,1164 1.879,1165 1.859,1166 1.934,1167 1.993,1168 1.058,1169 1.979,1170 1.706,1171 1.686,1172 1.752,1173 1.875,1174 0.789,1175 1.849,1176 1.206,1177 1.147,1178 1.564,1179 1.522,1180 0.571,1181 1.532,1182 0.979,1183 0.928,1184 1.169,1185 1.227,1186 0.22,1187 1.207,1188 0.964,1189 0.922,1190 1.124,1191 1.194,1192 0.185,1193 1.18,1194 0.86,1195 0.804,1196 1.096,1197 1.068,1198 0.146,1199 1.078,1200 0.799,1201 0.751,1202 0.97,1203 0.957,1204 0.052,1205 0.965,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1215 3.235,1216 1.59,1218 14.056,1223 2.96,1224 5.205,1231 25.536,1232 65.229,1233 135.609,1234 159.26,1235 174.77,1236 174.77,1237 174.77,1238 35.361,1239 7.629,1240 60.18,1241 60.18,1242 23,1243 12.62,1244 4.459,1245 3.524,1246 33.814,1247 80,1248 84,1249 0.212,1250 159.407,1251 261.79,1252 380.714,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.587,1258 16.811,1259 14.094,1260 11.652,1261 0.432,1262 0.292,1263 6.993,1264 10.506,1265 6.81,1266 5.61,1267 11.819,1268 7.881,1269 10.657,1270 0.273,1271 0.155,1272 10.944,1273 6.029,1274 9.335,1275 0.173,1276 0.077,1277 9.469,1278 4.137,1279 7.992,1280 0.108,1281 0.038,1282 7.851,1283 2.823,1284 6.706,1285 0.068,1286 0.02,1287 7.039,1288 1.944,1289 0.325,1290 82.399,1291 0.234,1292 23.093,1293 0.602,1294 132,1295 485.86,1296 214.394,1297 474.759,1298 637.97,1299 444,1300 159,1301 448.068,1302 204.822,1303 458.055,1304 675.45,1305 430,1306 5} {0 CHEMBL2313899,1 1.75,2 10.48,3 4.245,4 18.021,5 89.494,6 8.701,7 0.75,8 3.822,9 3.908,10 3.519,11 3.332,12 5.069,13 3.371,14 4.309,15 4.435,16 3.884,17 3.677,18 5.546,19 3.722,20 4.428,21 4.552,22 3.972,23 3.76,24 5.734,25 3.795,26 4.487,27 4.642,28 3.86,29 3.741,30 5.761,31 3.738,32 4.464,33 4.677,34 3.73,35 3.652,36 5.635,37 3.627,38 4.344,39 4.523,40 3.681,41 3.52,42 5.641,43 3.537,44 4.18,45 4.355,46 3.55,47 3.406,48 5.465,49 3.407,50 4.035,51 4.213,52 3.363,53 3.295,54 5.234,55 3.278,56 0.14,57 0.629,58 5.687,59 3.387,60 6.443,61 3.437,62 0.423,63 0.972,64 12.435,65 5.454,66 25.529,67 5.476,68 0.562,69 1.157,70 13.467,71 5.952,72 34.067,73 6.043,74 0.673,75 1.193,76 15.621,77 6.611,78 44.407,79 7.076,80 0.531,81 1.136,82 18.265,83 6.789,84 43.158,85 8.516,86 0.673,87 1.043,88 15.483,89 5.45,90 53.607,91 5.69,92 0.489,93 0.899,94 12.192,95 4.702,96 35.625,97 5.28,98 0.361,99 0.724,100 10.572,101 4.284,102 21.484,103 4.963,104 14,105 40,106 0.306,107 0.653,108 0.75,109 0.828,110 0.846,111 0.855,112 3.268,113 0.805,114 -3.71,115 -3.68,116 -3.5,119 46.2,123 2,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 7,164 1,166 1,168 4,171 2,172 4,174 1,176 2,178 2,181 1,182 6,185 1,187 1,194 5,197 1,199 2,205 1,206 4,211 1,213 1,216 2,217 2,220 1,224 4,228 1,237 5,241 1,242 2,250 2,255 875,256 17.273,257 17.273,258 17.273,259 17.273,260 17.273,261 14.842,262 18.07,263 9.963,264 17.861,265 13.702,266 13.702,267 13.702,268 13.702,269 13.702,270 9.912,271 25.557,272 4.575,273 14.482,274 3.535,275 1.556,276 1.001,277 0.552,278 0.449,279 0.398,280 3.968,284 1,285 572,286 2.739,288 36.75,289 175.159,291 149.637,295 1.539,296 29.368,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 56,307 262,308 4.753,309 3.317,310 6.865,311 4.254,312 3.271,313 4.851,314 0.86,315 11.488,316 3.218,317 4.261,318 3.188,319 6.146,320 3.84,321 2.888,322 3.913,323 0.86,324 9.046,325 2.74,326 4.04,327 2.84,328 5.942,329 3.574,330 2.615,331 3.708,332 0.4,333 8.307,334 2.506,335 3.648,336 2.673,337 5.381,338 3.236,339 2.303,340 3.057,342 6.89,343 2.142,344 3.491,345 2.477,346 5.215,347 3.078,348 2.145,349 2.813,351 6.43,352 1.991,353 3.286,354 1.943,355 4.989,356 2.778,357 1.815,358 2.652,360 5.495,361 1.747,362 2.921,363 1.779,364 4.518,365 2.456,366 1.509,367 2.103,369 4.305,370 1.415,371 2.841,372 1.476,373 4.121,374 2.325,375 1.384,376 1.986,378 3.574,379 1.296,380 2.752,381 1.317,382 3.841,383 2.239,384 1.284,385 1.866,386 3.091,387 1.221,388 2.065,389 1.128,390 3.293,391 1.642,392 0.711,393 0.914,394 1.641,395 0.656,396 1.777,397 1.027,398 3.039,399 1.444,400 0.557,401 0.655,402 1.024,403 0.489,404 1.598,405 0.656,406 2.832,407 1.279,408 0.392,409 0.464,411 0.643,412 0.345,413 1.339,414 0.439,415 2.729,416 1.001,417 0.102,418 0.124,420 0.197,421 0.091,422 1.019,423 -0.01,424 2.405,425 0.578,426 -0.333,427 -0.43,429 -0.78,430 -0.298,431 0.804,432 -0.262,433 2.345,434 0.319,435 -0.63,436 -0.816,438 -1.531,439 -0.575,440 11.486,441 0.459,442 0.568,443 0.023,444 36.75,445 1.47,446 19.5,447 0.78,448 17.25,449 0.69,450 16.116,451 0.645,452 26.314,453 0.675,454 26.747,455 1.07,456 7.633,457 0.305,458 4.557,459 0.182,460 0.112,462 0.392,464 1,466 0.797,467 1.124,468 0.628,469 1.087,470 0.616,471 0.87,472 1.106,473 0.88,474 0.737,475 0.798,476 0.75,477 0.687,478 1.062,479 1.09,480 0.901,481 0.998,482 0.987,483 0.929,484 0.977,485 1.187,486 1.084,487 1.138,488 1.104,489 1.143,490 0.778,491 0.999,492 0.824,493 0.965,494 0.847,495 0.923,496 1.299,497 1.145,498 1.108,499 0.88,500 1.499,501 0.903,502 0.966,503 1.004,504 1.013,505 0.979,506 1.119,507 1,508 0.827,509 1.023,510 0.947,511 1.016,512 0.77,513 1.012,514 5,515 0.095,516 2.889,517 1.951,518 1.595,519 0.726,520 0.572,521 0.424,522 0.183,523 0.196,524 7036,525 22398,526 2.13,527 35.9,529 12,531 1,532 1,536 1.681,537 2,538 3.338,539 -0.277,541 1,545 68.259,546 1.75,547 3.73,548 4.285,549 4.734,550 4.836,551 4.888,552 2.855,553 4.324,554 4.612,555 3.448,556 1034.54,557 7.982,558 12173.2,560 1,562 1,563 206.131,564 1.388,565 4.579,566 0.179,567 0.008,568 0.072,569 0.046,570 0.044,571 0.023,572 0.019,573 0.016,574 0.008,575 0.012,576 0.427,577 0.33,578 1,579 0.844,580 119.561,581 -0.079,582 -0.167,583 0.052,584 -0.124,585 -0.074,586 -0.021,587 -0.148,588 0.048,589 0.102,590 0.153,591 -0.04,592 0.193,593 -0.027,594 -0.037,595 -0.06,596 -0.053,597 -0.026,598 -0.075,599 0.022,600 -0.126,601 -0.179,602 -0.178,603 -0.051,604 -0.23,605 0.053,606 -0.048,607 0.188,608 0.014,609 0.081,610 0.11,611 -0.107,612 0.02,613 -0.105,614 0.073,615 -0.11,616 0.014,617 0.057,618 0.087,619 -0.062,620 -0.029,621 0.021,622 -0.075,623 0.018,624 -0.097,625 -0.013,626 -0.049,627 0.037,628 -0.037,629 2.121,630 6.193,631 0.76,632 21.04,633 1.028,634 1.127,635 2.485,636 6.173,637 0.689,638 3.367,639 3.714,640 4.043,641 4.344,642 4.625,643 4.754,644 4.927,645 5.094,646 5.13,647 5.209,648 5.876,649 0.686,650 339.35,651 3.367,652 4.92,653 5.796,654 6.693,655 7.589,656 8.495,657 9.399,658 10.309,659 11.218,660 12.131,661 7.7,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 2,698 1,699 39,700 21,701 2,702 28,704 42,705 18,706 16,707 6,708 6,710 4,711 7,721 16,722 2,733 1,734 1,735 1,736 14,737 7,738 1,739 7,743 3,747 0.5,748 3,755 1,759 1,760 3,762 2,777 2,781 2,783 1,785 25,790 1,791 2,800 1,801 7.7,806 3,808 12.5,809 7.876,810 5.556,811 2.095,812 4.342,813 1.563,814 1.02,815 3.996,816 12.06,817 3.676,818 4.379,819 5.08,820 5.771,821 6.417,822 6.855,823 7.372,824 7.89,825 8.189,826 8.586,827 1,828 42,829 9.2,831 3.964,832 7.9,833 17.08,835 13.758,837 2.4,838 60,842 153.024,843 126.324,844 51.582,846 31.507,847 14.96,849 126.324,850 184.531,851 66.542,852 21.766,854 56.857,855 45.342,856 85.218,857 26.96,858 141.253,860 153.024,861 177.906,862 46.467,865 167.984,866 31.507,869 28.773,870 115.562,871 33.571,873 167.984,874 83.089,875 126.324,878 153.024,879 39.082,880 87.242,881 18.011,882 80.038,883 153.024,884 98.049,885 126.324,887 0.581,888 0.357,889 0.195,890 0.111,891 21,892 9,893 0.095,894 4,895 2,896 1.211,897 3.684,898 216.449,899 0.211,900 19,901 116.096,904 15.817,905 6.316,906 2.796,907 2.537,908 98.049,909 11.408,910 8.456,912 5.868,914 1.3,916 18.011,917 377.398,918 38.5,926 40.102,927 43.954,928 0.331,929 0.706,930 0.811,931 0.896,932 0.915,933 0.925,934 4.907,935 1.384,936 5.79,937 4.305,938 4.394,939 5.066,940 1.454,941 6.637,942 4.299,943 6.15,944 1.284,945 7.37,946 3.574,947 4.007,948 5.007,950 7.591,951 3.881,952 7.487,953 0.711,954 9.047,955 3.091,956 6.023,957 7.428,958 1.175,959 10.712,960 5.865,961 8.865,962 0.557,963 10.781,964 1.641,965 6.463,966 8.219,968 12.502,969 6.28,970 10.275,971 0.392,972 12.552,973 1.024,974 7.943,975 10.112,976 0.966,977 15.151,978 7.741,979 11.709,980 0.102,981 14.349,982 0.643,983 8.768,984 11.313,986 17.305,987 8.548,988 13.162,989 -0.333,990 16.166,991 0.197,992 10.041,993 12.998,994 0.788,995 19.801,996 9.807,997 3.271,998 -0.63,999 17.999,1000 -0.78,1001 11.048,1002 14.399,1004 22.114,1005 10.8,1006 2.888,1007 11.488,1008 19.844,1009 -1.531,1010 12.243,1011 16.004,1012 0.634,1013 24.562,1014 11.983,1015 2.615,1016 9.046,1017 21.7,1018 4.851,1019 13.335,1020 17.498,1022 26.944,1023 13.063,1024 2.303,1025 8.307,1026 23.565,1027 3.913,1028 14.504,1029 19.076,1030 0.504,1031 29.38,1032 14.221,1033 2.145,1034 6.89,1035 25.437,1036 3.708,1037 15.636,1038 20.613,1040 31.792,1041 15.342,1042 1.815,1043 6.43,1044 27.317,1045 3.057,1046 16.8,1047 22.185,1048 0.395,1049 34.227,1050 16.496,1051 1.509,1052 5.495,1053 29.202,1054 2.813,1055 17.952,1056 23.742,1058 36.653,1059 17.637,1060 6731,1061 12142,1062 18.898,1063 26.887,1064 41.864,1065 43.178,1066 43.844,1067 41.871,1068 41.951,1069 58.21,1070 4.24,1071 124.264,1072 39.712,1073 5.526,1074 5.317,1075 6.414,1076 5.331,1077 5.271,1078 7.851,1079 1.72,1080 18.879,1081 5.218,1082 11.299,1083 1.495,1084 1.542,1085 1.566,1086 1.495,1087 1.498,1088 2.079,1089 0.151,1090 4.438,1091 1.418,1092 4.183,1093 4.193,1094 4.168,1095 4.065,1096 8.201,1097 4.088,1098 3.913,1099 3.936,1100 3.875,1101 3.819,1102 5.258,1103 3.828,1104 3.66,1105 3.696,1106 3.614,1107 3.509,1108 4.829,1109 3.531,1110 3.293,1111 3.348,1112 3.178,1113 3.02,1114 4.791,1115 3.048,1116 3.238,1117 3.305,1118 3.1,1119 2.956,1120 4.566,1121 2.973,1122 3.054,1123 3.095,1124 2.95,1125 2.833,1126 4.36,1127 2.853,1128 2.96,1129 3.047,1130 2.811,1131 2.745,1132 4.172,1133 2.739,1134 2.897,1135 2.956,1136 2.783,1137 2.733,1138 3.938,1139 2.734,1140 0.17,1141 0.118,1142 0.245,1143 0.152,1144 0.117,1145 4.753,1146 0.173,1147 3.317,1148 0.031,1149 6.865,1150 0.41,1151 4.254,1152 0.115,1153 3.271,1154 4.851,1155 0.86,1156 11.488,1157 3.218,1158 1.941,1159 1.923,1160 2.006,1161 2.048,1162 1.146,1163 2.032,1164 1.878,1165 1.858,1166 1.961,1167 2.001,1168 1.052,1169 1.988,1170 1.706,1171 1.686,1172 1.76,1173 1.895,1174 0.789,1175 1.859,1176 1.215,1177 1.156,1178 1.569,1179 1.53,1180 0.575,1181 1.539,1182 1.189,1183 1.12,1184 1.559,1185 1.51,1186 0.568,1187 1.523,1188 0.967,1189 0.927,1190 1.169,1191 1.225,1192 0.202,1193 1.202,1194 0.92,1195 0.845,1196 1.131,1197 1.171,1198 0.184,1199 1.163,1200 0.86,1201 0.804,1202 1.098,1203 1.068,1204 0.146,1205 1.078,1206 4.043,1208 5.38,1209 2.398,1210 6.925,1211 4.844,1212 8.563,1213 7.066,1214 10.249,1216 3.071,1218 14.193,1223 2.949,1224 10.217,1231 26.753,1232 68.259,1233 145.46,1234 167.111,1235 184.621,1236 188.621,1237 190.621,1238 37.574,1239 7.718,1240 69.41,1241 69.41,1242 23,1243 12.645,1244 4.459,1245 3.524,1246 35.916,1247 87,1248 99,1249 0.205,1250 161.082,1251 268.6,1252 384.801,1253 23376,1254 2.6,1255 17.389,1256 0.696,1257 0.542,1258 16.518,1259 13.539,1260 12.19,1261 0.435,1262 0.268,1263 7.326,1264 11.46,1265 7.152,1266 5.937,1267 11.78,1268 7.512,1269 10.826,1270 0.271,1271 0.133,1272 10.296,1273 5.335,1274 9.758,1275 0.174,1276 0.069,1277 9.3,1278 3.889,1279 8.205,1280 0.108,1281 0.035,1282 7.828,1283 2.623,1284 6.968,1285 0.069,1286 0.018,1287 6.665,1288 1.78,1289 0.317,1290 78.371,1291 0.23,1292 24.017,1293 0.575,1294 136,1295 514.941,1296 155.402,1297 458.967,1298 626.97,1299 432,1300 164,1301 464.88,1302 184.215,1303 462.083,1304 679.68,1305 432,1306 5} {0 CHEMBL2313900,1 1.612,2 10.458,3 3.935,4 15.483,5 88.552,6 8.787,7 0.778,8 3.735,9 3.822,10 3.451,11 3.318,12 5.006,13 3.342,14 4.196,15 4.315,16 3.802,17 3.674,18 5.403,19 3.692,20 4.356,21 4.492,22 3.862,23 3.755,24 5.587,25 3.756,26 4.385,27 4.556,28 3.73,29 3.689,30 5.578,31 3.664,32 4.301,33 4.507,34 3.586,35 3.563,36 5.412,37 3.535,38 4.178,39 4.348,40 3.522,41 3.482,42 5.344,43 3.465,44 4.088,45 4.274,46 3.372,47 3.401,48 5.219,49 3.354,50 3.897,51 4.075,52 3.213,53 3.267,54 5.106,55 3.223,56 0.066,57 0.523,58 4.807,59 2.803,60 7.161,61 2.869,62 0.223,63 0.822,64 9.586,65 4.642,66 17.163,67 4.731,68 0.336,69 0.956,70 11.837,71 5.392,72 22.262,73 5.796,74 0.366,75 0.993,76 13.622,77 5.718,78 30.15,79 6.364,80 0.268,81 0.902,82 14.411,83 5.526,84 31.504,85 6.575,86 0.328,87 0.799,88 11.443,89 4.53,90 25.044,91 4.736,92 0.275,93 0.716,94 10.787,95 4.457,96 23.739,97 5.259,98 0.182,99 0.611,100 8.312,101 3.582,102 20.309,103 4.044,104 9,105 38,106 0.284,107 0.653,108 0.77,109 0.847,110 0.847,111 0.847,112 3.229,113 0.807,114 -3.52,115 -3.5,116 -3.34,119 50,123 1,133 7,134 2,135 2,137 1,138 1,139 1,143 2,147 1,159 6,161 1,162 6,164 1,166 2,168 7,171 2,172 5,174 1,176 2,178 3,181 1,182 9,185 1,187 2,194 6,199 2,205 1,206 6,209 1,211 1,213 2,216 1,217 3,220 1,224 6,228 1,229 1,237 7,241 1,242 2,250 4,255 788,256 16.773,257 16.773,258 16.773,259 16.773,260 16.773,261 14.303,262 17.125,263 9.769,264 17.144,265 13.224,266 13.224,267 13.224,268 13.224,269 13.224,270 9.338,271 24.495,272 4.5,273 13.733,274 3.558,275 1.456,276 0.789,277 0.354,278 0.354,279 0.354,280 3.932,283 1,284 1,285 551,286 2.646,288 35.093,289 166.701,291 143.072,295 1.58,296 20.633,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52,307 251,308 4.753,309 4.057,310 6.864,311 4.253,312 3.269,313 4.851,314 2.035,315 11.485,316 3.217,317 4.14,318 3.297,319 6.035,320 3.7,321 2.731,322 3.774,323 0.86,324 8.666,325 2.65,326 4.033,327 2.886,328 5.505,329 3.543,330 2.565,331 3.65,332 0.4,333 7.358,334 2.502,335 3.706,336 2.708,337 5.359,338 3.251,339 2.301,340 3.075,342 6.843,343 2.181,344 3.539,345 2.451,346 5.117,347 3.03,348 2.061,349 2.823,351 6.183,352 1.989,353 3.285,354 2.153,355 4.956,356 2.773,357 1.805,358 2.65,360 5.454,361 1.745,362 2.974,363 1.842,364 4.444,365 2.38,366 1.432,367 2.086,369 4.101,370 1.353,371 2.884,372 1.492,373 3.841,374 2.249,375 1.3,376 1.901,378 3.094,379 1.228,380 2.763,381 1.317,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.5,389 1.043,390 3.282,391 1.638,392 0.689,393 1.109,394 1.592,395 0.651,396 2.044,397 1,398 2.972,399 1.483,400 0.549,401 0.833,402 0.93,403 0.508,404 1.614,405 0.656,406 2.829,407 1.283,408 0.389,409 0.474,411 0.641,412 0.347,413 1.388,414 0.337,415 2.605,416 0.908,417 -0.028,418 -0.039,420 -0.059,421 -0.026,422 0.987,423 -0.107,424 2.402,425 0.465,426 -0.479,427 -0.684,429 -1.007,430 -0.45,431 0.804,432 -0.363,433 2.249,434 0.303,435 -0.671,436 -0.938,438 -1.665,439 -0.647,440 11.267,441 0.469,442 0.478,443 0.02,444 38.25,445 1.594,446 22,447 0.917,448 16.25,449 0.677,450 13.747,451 0.573,452 23.533,453 0.654,454 25.818,455 1.076,456 7.645,457 0.319,458 4.135,459 0.172,460 0.08,462 0.355,466 0.894,467 1.161,468 0.634,469 0.975,470 0.59,471 0.796,472 1.151,473 0.912,474 0.77,475 0.859,476 0.651,477 0.77,478 1.013,479 1.105,480 0.921,481 1.018,482 0.694,483 0.972,484 1.021,485 1.144,486 1.085,487 1.104,488 1.047,489 1.104,490 1.059,491 1.032,492 0.94,493 0.944,494 0.951,495 0.913,496 1.339,497 0.946,498 1.151,499 0.925,500 0.791,501 0.985,502 0.888,503 0.932,504 1.062,505 1.005,506 0.82,507 1.057,508 0.975,509 0.921,510 1.124,511 1.001,512 0.853,513 1.07,514 4.5,515 0.078,516 2.444,517 1.639,518 1.324,519 0.615,520 0.55,521 0.293,522 0.165,523 0.151,524 6495,525 20003,526 2.161,527 33.3,529 10,531 1,532 1,536 1.669,537 2.057,538 3.34,539 -0.301,541 1,545 58.039,546 1.612,547 3.714,548 4.381,549 4.816,550 4.816,551 4.816,552 2.872,553 3.554,554 4.551,555 3.447,556 951.501,557 7.855,558 10918.6,560 1,561 1,562 1,563 186.117,564 1.281,565 4.532,566 0.167,567 0.007,568 0.064,569 0.042,570 0.04,571 0.021,572 0.02,573 0.013,574 0.008,575 0.01,576 0.393,577 0.5,578 1,579 0.789,580 113.499,581 -0.08,582 -0.154,583 0.05,584 -0.08,585 -0.014,586 -0.004,587 -0.091,588 0.082,589 0.042,590 0.066,591 -0.042,592 0.075,593 0.055,594 -0.11,595 -0.055,596 -0.09,597 0.024,598 -0.101,599 0.006,600 -0.154,601 -0.132,602 -0.155,603 -0.105,604 -0.168,605 -0.108,606 -0.061,607 0.105,608 0.044,609 -0.057,610 0.11,611 -0.165,612 0.056,613 -0.184,614 0.02,615 -0.087,616 -0.066,617 0.055,618 0.029,619 -0.071,620 -0.02,621 -0.004,622 -0.062,623 -0.128,624 0.068,625 -0.193,626 -0.041,627 -0.004,628 -0.11,629 1.097,630 2.867,631 0.792,632 20.708,633 1.017,634 1.113,635 2.294,636 5.261,637 0.722,638 3.332,639 3.664,640 3.989,641 4.29,642 4.575,643 4.7,644 4.883,645 5.05,646 5.063,647 5.142,648 5.846,649 0.712,650 316.34,651 3.332,652 4.875,653 5.746,654 6.637,655 7.529,656 8.43,657 9.331,658 10.238,659 11.145,660 12.056,661 11.1,669 1,670 1,671 2,674 4,675 8,676 2,678 1,680 4,682 21,683 1,692 1,697 1,699 36,700 22,701 2,702 27,704 39,705 18,706 16,707 5,708 7,710 4,711 7,720 1,721 16,722 1,733 1,735 1,736 12,737 6,738 1,739 6,743 4,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,785 24,790 1,791 1,796 1,798 1,799 1,801 5.6,806 2,808 11.667,809 7.1,810 5.361,811 2.013,812 4.492,813 1.589,814 1.032,815 3.529,816 12.121,817 3.701,818 4.366,819 5.08,820 5.766,821 6.411,822 6.858,823 7.379,824 7.885,825 8.18,826 8.583,827 1,828 39,829 8.76,831 3.73,832 7.806,833 16.458,835 13.341,837 2.306,838 55.333,842 129.482,843 130.34,844 82.641,846 20.507,849 130.34,850 149.989,851 82.641,852 10.883,854 66.334,855 61.944,856 94.099,857 12,858 117.711,860 129.482,861 212.981,862 20.507,865 129.482,866 20.507,869 59.833,870 119.578,871 33.571,873 129.482,874 103.148,875 130.34,878 129.482,879 27.903,880 85.835,881 34.612,882 85.138,883 129.482,884 103.148,885 130.34,887 0.576,888 0.351,889 0.192,890 0.109,891 20,892 8,893 0.077,894 3,895 2,896 1.211,897 3.66,898 202.801,899 0.211,900 19,901 106.039,904 14.498,905 5.841,906 2.571,907 2.896,908 103.148,909 14.215,910 8.596,912 5.923,914 2.701,916 18.011,917 362.971,918 39.5,926 36.596,927 40.073,928 0.312,929 0.718,930 0.847,931 0.931,932 0.931,933 0.931,934 4.929,935 1.3,936 5.727,937 4.101,938 4.344,939 5.053,940 2.405,941 6.558,942 4.279,943 6.171,944 1,945 7.292,946 3.094,947 3.892,948 4.913,950 7.486,951 3.817,952 7.499,953 0.689,954 8.956,955 2.275,956 5.953,957 7.404,958 3.595,959 10.607,960 5.843,961 8.866,962 0.549,963 10.679,964 1.592,965 6.347,966 8.152,968 12.399,969 6.229,970 10.266,971 0.389,972 12.441,973 0.93,974 7.853,975 10.076,976 4.968,977 15.05,978 7.71,979 11.69,980 -0.028,981 14.232,982 0.641,983 8.65,984 11.258,986 17.218,987 8.5,988 13.135,989 -0.479,990 16.045,991 -0.059,992 9.936,993 12.958,994 6.379,995 19.72,996 9.767,997 3.269,998 -0.671,999 17.875,1000 -1.007,1001 10.931,1002 14.354,1004 22.048,1005 10.753,1006 2.731,1007 11.485,1008 19.72,1009 -1.665,1010 12.134,1011 15.967,1012 7.797,1013 24.504,1014 11.94,1015 2.565,1016 8.666,1017 21.578,1018 4.851,1019 13.223,1020 17.463,1022 26.897,1023 13.019,1024 2.301,1025 7.358,1026 23.446,1027 3.774,1028 14.399,1029 19.046,1030 9.217,1031 29.34,1032 14.181,1033 2.061,1034 6.843,1035 25.324,1036 3.65,1037 15.533,1038 20.586,1040 31.759,1041 15.303,1042 1.805,1043 6.183,1044 27.208,1045 3.075,1046 16.703,1047 22.162,1048 10.638,1049 34.199,1050 16.459,1051 1.432,1052 5.454,1053 29.1,1054 2.823,1055 17.86,1056 23.722,1058 36.63,1059 17.602,1060 6179,1061 10959,1062 18.493,1063 25.977,1064 41.357,1065 43.473,1066 41.683,1067 40.142,1068 40.187,1069 57.453,1070 6.589,1071 117.241,1072 38.745,1073 5.515,1074 6.057,1075 6.417,1076 5.329,1077 5.269,1078 7.851,1079 4.069,1080 18.869,1081 5.217,1082 9.248,1083 1.532,1084 1.61,1085 1.544,1086 1.487,1087 1.488,1088 2.128,1089 0.244,1090 4.342,1091 1.435,1092 4.183,1093 4.193,1094 4.167,1095 4.066,1096 6.82,1097 4.088,1098 3.914,1099 3.943,1100 3.863,1101 3.849,1102 5.259,1103 3.849,1104 3.661,1105 3.698,1106 3.616,1107 3.512,1108 4.814,1109 3.534,1110 3.284,1111 3.338,1112 3.222,1113 3.078,1114 4.701,1115 3.107,1116 3.201,1117 3.264,1118 3.113,1119 2.963,1120 4.56,1121 2.986,1122 3.051,1123 3.089,1124 2.948,1125 2.833,1126 4.2,1127 2.852,1128 2.881,1129 2.954,1130 2.767,1131 2.735,1132 3.983,1133 2.715,1134 2.854,1135 2.925,1136 2.687,1137 2.709,1138 3.683,1139 2.703,1140 0.176,1141 0.15,1142 0.254,1143 0.158,1144 0.121,1145 4.753,1146 0.18,1147 4.057,1148 0.075,1149 6.864,1150 0.425,1151 4.253,1152 0.119,1153 3.269,1154 4.851,1155 2.035,1156 11.485,1157 3.217,1158 1.944,1159 1.924,1160 2.017,1161 2.048,1162 1.147,1163 2.037,1164 1.903,1165 1.88,1166 1.992,1167 2.001,1168 1.073,1169 1.996,1170 1.713,1171 1.692,1172 1.763,1173 1.895,1174 0.79,1175 1.863,1176 1.212,1177 1.155,1178 1.565,1179 1.523,1180 0.571,1181 1.533,1182 1.137,1183 1.088,1184 1.233,1185 1.345,1186 0.226,1187 1.315,1188 0.966,1189 0.927,1190 1.181,1191 1.224,1192 0.218,1193 1.197,1194 0.886,1195 0.821,1196 1.168,1197 1.062,1198 0.185,1199 1.107,1200 0.845,1201 0.788,1202 0.988,1203 1.047,1204 0.073,1205 1.032,1206 4.007,1208 5.333,1209 2.398,1210 6.868,1211 4.844,1212 8.496,1213 7.066,1214 10.173,1216 1.613,1223 3.202,1224 5.228,1229 8.867,1230 2.092,1231 25.622,1232 58.039,1233 133.711,1234 157.711,1235 173.362,1236 173.362,1237 173.362,1238 29.083,1239 7.629,1240 83.97,1241 83.97,1242 23,1243 12.572,1244 4.524,1245 3.755,1246 33.904,1247 83,1248 98,1249 0.203,1250 156.827,1251 259.46,1252 374.419,1253 21019,1255 16.518,1256 0.688,1257 0.532,1258 16.518,1259 12.777,1260 11.78,1261 0.436,1262 0.269,1263 7.141,1264 11.272,1265 6.981,1266 5.801,1267 11.78,1268 7.267,1269 10.296,1270 0.271,1271 0.136,1272 10.296,1273 5.178,1274 9.3,1275 0.175,1276 0.07,1277 9.3,1278 3.736,1279 7.828,1280 0.109,1281 0.035,1282 7.828,1283 2.536,1284 6.665,1285 0.069,1286 0.018,1287 6.665,1288 1.739,1289 0.315,1290 74.279,1291 0.233,1292 23.301,1293 0.567,1294 130,1295 416.739,1296 143.386,1297 404.527,1298 561.3,1299 380,1300 156,1301 423.41,1302 170.468,1303 429.87,1304 627.76,1305 403,1306 5} {0 CHEMBL2313901,1 1.838,2 10.077,3 4.998,4 24.983,5 88.788,6 9.456,7 0.724,8 3.809,9 3.893,10 3.558,11 3.33,12 5.089,13 3.383,14 4.331,15 4.447,16 4.023,17 3.69,18 6.085,19 3.751,20 4.435,21 4.565,22 4.003,23 3.77,24 5.801,25 3.81,26 4.529,27 4.7,28 3.921,29 3.715,30 5.886,31 3.747,32 4.432,33 4.625,34 3.816,35 3.605,36 5.801,37 3.628,38 4.337,39 4.516,40 3.664,41 3.525,42 5.63,43 3.548,44 4.202,45 4.375,46 3.669,47 3.441,48 5.619,49 3.459,50 4.116,51 4.256,52 3.639,53 3.329,54 5.708,55 3.376,56 0.246,57 0.775,58 4.089,59 3.353,60 26.575,61 3,62 0.97,63 1.553,64 10.467,65 5.605,66 138.316,67 4.902,68 0.641,69 1.318,70 10.944,71 6.18,72 41.712,73 6.002,74 0.938,75 1.432,76 15.905,77 7.018,78 92.381,79 6.718,80 0.819,81 1.266,82 15.592,83 6.077,84 72.174,85 6.545,86 0.816,87 1.101,88 14.151,89 5.553,90 85.219,91 5.1,92 0.604,93 1.033,94 10.767,95 4.834,96 56.099,97 5.316,98 0.77,99 1.013,100 9.236,101 4.571,102 59.18,103 4.139,104 21,105 43,106 0.323,107 0.658,108 0.788,109 0.879,110 0.879,111 0.879,112 3.305,113 0.787,114 -4.72,115 -4.63,116 -4.35,119 47.4,123 1,127 1,133 7,134 2,135 2,137 1,138 1,139 1,143 2,159 6,161 1,162 5,164 1,166 2,168 7,171 2,172 3,174 1,176 2,178 3,181 1,182 7,185 1,187 2,194 6,199 2,205 1,206 6,211 1,213 2,216 1,217 3,220 1,224 6,229 1,237 7,242 2,250 4,255 970,256 17.375,257 17.375,258 17.375,259 17.375,260 17.375,261 15.035,262 18.255,263 9.945,264 17.987,265 14.288,266 14.288,267 14.288,268 14.288,269 14.288,270 10.643,271 28.222,272 4.66,273 15.26,274 3.41,275 1.504,276 0.767,277 0.25,278 0.25,279 0.25,280 4,284 1,285 567,286 3.464,288 38.648,289 184.703,291 156.93,295 1.627,296 42.664,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 60,307 262,308 4.753,309 4.46,310 7.116,311 4.254,312 3.322,313 4.851,314 3.825,315 11.691,316 3.217,317 4.453,318 3.297,319 6.864,320 4.178,321 3.266,322 3.879,323 0.86,324 11.484,325 2.896,326 4.081,327 2.884,328 6.034,329 3.648,330 2.694,331 3.722,332 0.4,333 8.664,334 2.561,335 3.787,336 2.695,337 5.463,338 3.386,339 2.44,340 3.139,342 7.227,343 2.28,344 3.577,345 2.37,346 5.291,347 3.133,348 2.189,349 2.964,351 6.646,352 2.053,353 3.286,354 1.913,355 4.98,356 2.779,357 1.816,358 2.653,360 5.491,361 1.748,362 2.961,363 1.781,364 4.567,365 2.526,366 1.58,367 2.132,369 4.566,370 1.471,371 2.869,372 1.477,373 4.381,374 2.341,375 1.403,376 2.031,378 3.956,379 1.308,380 2.75,381 1.315,382 3.841,383 2.238,384 1.285,385 1.861,386 3.093,387 1.218,388 2.57,389 1.177,390 3.493,391 2.092,392 1.112,393 1.6,394 2.542,395 1.078,396 2.038,397 1.034,398 3.267,399 1.583,400 0.638,401 0.857,402 1.518,403 0.598,404 1.609,405 0.596,406 2.902,407 1.29,408 0.403,409 0.477,411 0.672,412 0.356,413 1.303,414 0.51,415 2.823,416 0.909,417 -0.031,418 -0.041,420 -0.081,421 -0.029,422 0.877,423 0.51,424 2.71,425 0.423,426 -0.528,427 -0.709,429 -1.244,430 -0.497,431 0.803,432 0.091,433 2.403,434 0.299,435 -0.676,436 -0.926,438 -1.75,439 -0.655,440 11.724,441 0.451,442 0.805,443 0.031,444 36.75,445 1.413,446 19,447 0.731,448 17.75,449 0.683,450 17.521,451 0.674,452 27.876,453 0.734,454 28.858,455 1.11,456 7.609,457 0.293,458 4.844,459 0.186,460 0.116,461 0.043,462 0.341,463 3,466 0.67,467 0.947,468 0.561,469 1.018,470 0.607,471 0.835,472 0.641,473 0.666,474 0.636,475 0.832,476 0.4,477 0.773,478 0.737,479 0.941,480 0.794,481 1.063,482 0.539,483 1.011,484 1.064,485 1.062,486 1.091,487 1.054,488 1.033,489 1.07,490 0.851,491 0.813,492 0.935,493 0.922,494 0.791,495 0.951,496 1.174,497 0.877,498 1.215,499 0.839,500 1.052,501 0.955,502 0.626,503 0.738,504 0.822,505 0.979,506 0.591,507 1.013,508 0.868,509 1.159,510 0.953,511 1.09,512 0.939,513 1.085,514 6.5,515 0.104,516 3.111,517 2.264,518 1.502,519 0.796,520 0.674,521 0.385,522 0.316,523 0.277,524 7741,525 29625,526 2.092,527 31.6,529 10,531 1,532 1,536 1.692,537 1.938,538 3.314,539 -0.256,545 69.833,546 1.838,547 3.744,548 4.481,549 4.998,550 4.998,551 4.998,552 2.763,553 4.075,554 4.672,555 3.465,556 1126.17,557 8.1,558 13722.2,560 1,563 199.421,564 1.619,565 4.616,566 0.224,567 0.007,568 0.072,569 0.053,570 0.04,571 0.023,572 0.022,573 0.013,574 0.012,575 0.014,576 0.481,577 0.33,578 1,579 0.881,580 126.117,581 -0.068,582 -0.098,583 0.026,584 -0.076,585 -0.112,586 -0.003,587 0.266,588 0.313,589 0.136,590 0.119,591 0.436,592 0.074,593 -0.023,594 -0.148,595 -0.022,596 -0.138,597 0.022,598 -0.111,599 -0.141,600 -0.128,601 -0.144,602 -0.097,603 -0.14,604 -0.109,605 -0.019,606 0.04,607 0.047,608 0.015,609 -0.008,610 0.05,611 -0.251,612 0.015,613 -0.253,614 0.103,615 -0.21,616 0.005,617 0.143,618 0.084,619 0.087,620 -0.047,621 0.101,622 -0.041,623 0.16,624 -0.144,625 -0.042,626 -0.118,627 0.067,628 -0.174,629 5.672,630 4.887,631 0.731,632 21.456,633 1.047,634 1.143,635 3.486,636 12.155,637 0.692,638 3.401,639 3.784,640 4.06,641 4.357,642 4.635,643 4.754,644 4.963,645 5.1,646 5.142,647 5.252,648 6.008,649 0.705,650 359.33,651 3.401,652 4.977,653 5.844,654 6.753,655 7.643,656 8.555,657 9.454,658 10.368,659 11.272,660 12.187,661 7.9,669 1,671 2,674 4,675 8,676 2,678 1,680 4,682 21,692 1,697 1,699 38,700 21,701 2,702 29,704 41,705 18,706 16,707 5,708 7,710 4,711 7,715 1,718 1,721 16,722 2,734 3,735 1,736 12,737 8,738 1,739 8,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,783 3,785 26,790 1,791 1,795 1,800 3,801 5.3,806 2,808 13.417,809 7.329,810 5.528,811 2.07,812 4.352,813 1.558,814 1.035,815 3.967,816 12.151,817 3.701,818 4.404,819 5.08,820 5.773,821 6.415,822 6.85,823 7.388,824 7.885,825 8.183,826 8.592,827 0.857,828 43,829 9.993,831 4.773,832 8.272,833 17.372,835 14.234,837 2.772,838 72.083,842 129.482,843 121.498,844 51.582,846 20.507,847 44.88,849 121.498,850 149.989,851 96.462,852 10.883,854 66.334,855 45.342,856 107.92,857 12,858 117.711,859 7.76,860 129.482,861 173.08,862 65.388,865 129.482,866 65.388,869 36.533,870 102.976,871 33.571,873 174.362,874 72.089,875 121.498,878 137.242,879 27.903,880 85.835,881 18.011,882 98.959,883 129.482,884 116.969,885 121.498,887 0.596,888 0.344,889 0.183,890 0.105,891 23,892 10,893 0.073,894 3,895 2,896 1.211,897 3.719,898 229.102,899 0.211,900 19,901 117.457,904 16.676,905 6.186,906 3.097,907 2.225,908 116.969,909 11.499,910 8.322,912 5.806,914 0.404,916 18.011,917 367.95,918 39.5,926 39.8,927 43.424,928 0.35,929 0.713,930 0.854,931 0.952,932 0.952,933 0.952,934 4.958,935 1.403,936 5.883,937 4.566,938 4.466,939 5.091,940 3.12,941 6.767,942 4.351,943 6.22,944 1.285,945 7.494,946 3.956,947 4.29,948 5.075,949 3.903,950 7.96,951 4.031,952 7.572,953 1.112,954 9.213,955 3.093,956 6.18,957 7.443,958 5.425,959 11,960 5.947,961 8.962,962 0.638,963 10.998,964 2.542,965 6.792,966 8.242,967 6.69,968 12.98,969 6.419,970 10.383,971 0.403,972 12.824,973 1.518,974 8.221,975 10.121,976 8.058,977 15.611,978 7.853,979 11.827,980 -0.031,981 14.679,982 0.672,983 9.167,984 11.321,985 9.388,986 17.884,987 8.688,988 13.289,989 -0.528,990 16.555,991 -0.081,992 10.433,993 13.001,994 10.734,995 20.391,996 9.934,997 3.322,998 -0.676,999 18.445,1000 -1.244,1001 11.521,1002 14.399,1003 12.074,1004 22.773,1005 10.938,1006 3.266,1007 11.691,1008 20.348,1009 -1.75,1010 12.731,1011 16.003,1012 13.416,1013 25.24,1014 12.113,1015 2.694,1016 11.484,1017 22.26,1018 4.851,1019 13.877,1020 17.496,1021 14.758,1022 27.664,1023 13.194,1024 2.44,1025 8.664,1026 24.18,1027 3.879,1028 15.07,1029 19.074,1030 16.1,1031 30.119,1032 14.346,1033 2.189,1034 7.227,1035 26.105,1036 3.722,1037 16.241,1038 20.61,1039 17.441,1040 32.559,1041 15.463,1042 1.816,1043 6.646,1044 28.035,1045 3.139,1046 17.43,1047 22.182,1048 18.783,1049 35.01,1050 16.61,1051 1.58,1052 5.491,1053 29.969,1054 2.964,1055 18.612,1056 23.739,1057 20.124,1058 37.456,1059 17.745,1060 7433,1061 14705,1062 19.186,1063 26.307,1064 44.779,1065 44.573,1066 45.356,1067 44.469,1068 44.297,1069 60.331,1070 10.171,1071 135.097,1072 41.567,1073 5.531,1074 6.46,1075 6.664,1076 5.331,1077 5.322,1078 7.851,1079 5.335,1080 19.078,1081 5.217,1082 13.287,1083 1.544,1084 1.537,1085 1.564,1086 1.533,1087 1.527,1088 2.08,1089 0.351,1090 4.659,1091 1.433,1092 4.184,1093 4.193,1094 4.168,1095 4.066,1096 8.513,1097 4.088,1098 3.93,1099 3.958,1100 3.891,1101 3.849,1102 7.999,1103 3.852,1104 3.663,1105 3.701,1106 3.621,1107 3.511,1108 7.999,1109 3.534,1110 3.339,1111 3.385,1112 3.346,1113 3.046,1114 5.259,1115 3.096,1116 3.252,1117 3.312,1118 3.137,1119 2.974,1120 4.814,1121 3.002,1122 3.057,1123 3.105,1124 2.974,1125 2.835,1126 4.703,1127 2.859,1128 3.003,1129 3.073,1130 2.86,1131 2.809,1132 4.56,1133 2.809,1134 2.825,1135 2.89,1136 2.676,1137 2.686,1138 4.203,1139 2.674,1140 0.164,1141 0.154,1142 0.245,1143 0.147,1144 0.115,1145 4.753,1146 0.167,1147 4.46,1148 0.132,1149 7.116,1150 0.403,1151 4.254,1152 0.111,1153 3.322,1154 4.851,1155 3.825,1156 11.691,1157 3.217,1158 1.945,1159 1.924,1160 2.016,1161 2.053,1162 1.148,1163 2.039,1164 1.903,1165 1.881,1166 1.992,1167 2.006,1168 1.099,1169 1.999,1170 1.712,1171 1.691,1172 1.763,1173 1.904,1174 0.793,1175 1.866,1176 1.208,1177 1.15,1178 1.565,1179 1.524,1180 0.571,1181 1.533,1182 1.112,1183 1.072,1184 1.214,1185 1.45,1186 0.284,1187 1.356,1188 0.97,1189 0.927,1190 1.191,1191 1.226,1192 0.239,1193 1.209,1194 0.96,1195 0.896,1196 1.168,1197 1.2,1198 0.185,1199 1.188,1200 0.807,1201 0.753,1202 0.977,1203 0.968,1204 0.085,1205 0.977,1206 4.078,1208 5.442,1209 2.398,1210 7,1211 4.844,1212 8.643,1213 7.066,1214 10.33,1216 1.546,1218 38.661,1223 2.873,1224 5.171,1228 -4.422,1231 26.805,1232 69.833,1233 142.26,1234 170.26,1235 189.911,1236 189.911,1237 189.911,1238 46.539,1239 7.799,1240 60.18,1241 60.18,1242 23,1243 12.701,1244 4.459,1245 3.524,1246 38.02,1247 93,1248 98,1249 0.202,1250 159.482,1251 271.95,1252 380.897,1253 26071,1254 7.9,1255 18.311,1256 0.704,1257 0.518,1258 15.811,1259 13.464,1260 12.453,1261 0.429,1262 0.262,1263 7.416,1264 11.693,1265 7.315,1266 6.013,1267 11.242,1268 7.611,1269 12.097,1270 0.281,1271 0.129,1272 10.139,1273 5.568,1274 9.763,1275 0.171,1276 0.069,1277 8.801,1278 3.912,1279 8.244,1280 0.107,1281 0.035,1282 7.727,1283 2.681,1284 7.056,1285 0.069,1286 0.018,1287 6.416,1288 1.819,1289 0.313,1290 80.215,1291 0.228,1292 24.797,1293 0.566,1294 144,1295 649.427,1296 173.709,1297 539.188,1298 714.68,1299 502,1300 172,1301 514.001,1302 196.278,1303 498.918,1304 753.86,1305 467,1306 5} {0 CHEMBL2313902,1 1.571,2 10.6,3 4.218,4 17.793,5 97.243,6 7.777,7 0.75,8 3.889,9 3.999,10 3.507,11 3.406,12 5.033,13 3.413,14 4.388,15 4.556,16 3.862,17 3.769,18 5.475,19 3.773,20 4.517,21 4.668,22 3.924,23 3.892,24 5.628,25 3.867,26 4.637,27 4.844,28 3.802,29 3.892,30 5.648,31 3.82,32 4.589,33 4.832,34 3.647,35 3.779,36 5.527,37 3.689,38 4.417,39 4.641,40 3.572,41 3.608,42 5.417,43 3.556,44 4.221,45 4.424,46 3.433,47 3.488,48 5.258,49 3.433,50 4.137,51 4.349,52 3.324,53 3.425,54 5.124,55 3.354,56 0.032,57 0.648,58 8.143,59 3.625,60 6.919,61 4.51,62 0.25,63 1.015,64 15.962,65 5.709,66 18.578,67 7.203,68 0.303,69 1.14,70 17.423,71 6.778,72 21.655,73 8.668,74 0.338,75 1.225,76 21.788,77 8.14,78 28.91,79 10.97,80 0.243,81 1.128,82 22.127,83 8.059,84 27.493,85 11.228,86 0.311,87 0.963,88 18.469,89 6.028,90 26.577,91 8.178,92 0.303,93 0.825,94 14.226,95 4.819,96 20.453,97 6.458,98 0.194,99 0.755,100 13.15,101 4.767,102 16.04,103 6.551,104 14,105 40,106 0.27,107 0.612,108 0.733,109 0.795,110 0.811,111 0.811,112 3.267,113 0.848,114 -3.83,115 -3.79,116 -3.6,119 44.2,123 3,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 7,164 1,166 2,168 5,171 2,172 5,174 1,176 2,178 3,181 1,182 7,185 1,187 1,194 6,197 1,199 2,205 1,206 5,211 1,213 2,216 2,217 2,220 1,224 6,228 1,237 6,241 1,242 3,250 2,255 896,256 17.11,257 17.11,258 17.11,259 17.11,260 17.11,261 14.756,262 20.317,263 9.906,264 17.58,265 13.765,266 13.765,267 13.765,268 13.765,269 13.765,270 10.102,271 31.937,272 4.62,273 14.416,274 3.855,275 1.865,276 1.161,277 0.797,278 0.704,279 0.704,280 3.967,284 1,285 578,286 3,288 37.691,289 178.062,291 153.34,295 1.664,296 15.908,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 54,307 265,308 4.753,309 3.297,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.144,318 2.996,319 6.038,320 3.76,321 2.801,322 3.772,323 0.8,324 8.676,325 2.688,326 4.034,327 2.862,328 5.925,329 3.609,330 2.653,331 3.644,332 0.4,333 8.201,334 2.535,335 3.69,336 2.646,337 5.436,338 3.323,339 2.379,340 3.075,342 7.088,343 2.242,344 3.508,345 2.287,346 5.24,347 3.095,348 2.142,349 2.828,351 6.48,352 2.034,353 3.284,354 1.855,355 4.97,356 2.775,357 1.809,358 2.65,360 5.467,361 1.746,362 2.902,363 1.546,364 4.455,365 2.401,366 1.45,367 2.087,369 4.132,370 1.374,371 2.779,372 1.411,373 3.843,374 2.263,375 1.322,376 1.904,378 3.099,379 1.239,380 2.5,381 1.304,382 3.778,383 2.163,384 1.213,385 1.5,386 2.918,387 1.149,388 2.456,389 1.037,390 3.414,391 2,392 1,393 1.45,394 2.275,395 1,396 2.037,397 1,398 3.265,399 1.587,400 0.642,401 0.859,402 1.529,403 0.601,404 1.61,405 0.611,406 2.878,407 1.293,408 0.407,409 0.48,411 0.679,412 0.359,413 1.337,414 0.16,415 2.817,416 0.963,417 0.022,418 0.028,420 0.055,421 0.021,422 0.931,423 -0.272,424 2.403,425 0.488,426 -0.456,427 -0.602,429 -1.052,430 -0.428,431 0.803,432 -0.459,433 2.252,434 0.304,435 -0.669,436 -0.905,438 -1.696,439 -0.644,440 11.767,441 0.471,442 0.606,443 0.024,444 36.75,445 1.47,446 19.5,447 0.78,448 17.25,449 0.69,450 16.479,451 0.659,452 26.033,453 0.605,454 25.98,455 1.039,456 7.507,457 0.3,458 4.645,459 0.186,460 0.127,462 0.374,466 0.927,467 1.407,468 0.73,469 1.123,470 0.889,471 0.929,472 1.27,473 0.856,474 0.776,475 0.718,476 0.931,477 0.665,478 1.024,479 1.184,480 0.974,481 1.089,482 0.903,483 1.038,484 0.863,485 1.115,486 0.999,487 1.102,488 0.935,489 1.079,490 0.798,491 0.995,492 0.866,493 0.999,494 0.885,495 0.954,496 1.23,497 0.997,498 0.956,499 0.856,500 1.118,501 0.858,502 1.051,503 0.891,504 1.105,505 0.937,506 1.056,507 1.002,508 0.849,509 1.056,510 0.976,511 0.979,512 0.99,513 0.991,514 5,515 0.144,516 2.889,517 1.889,518 1.364,519 0.733,520 0.55,521 0.324,522 0.214,523 0.17,524 7268,525 18546,526 2.13,527 41.9,529 16,531 1,532 1,536 1.679,537 2,538 3.368,539 -0.317,541 1,545 67.56,546 1.571,547 3.562,548 4.265,549 4.629,550 4.722,551 4.722,552 2.889,553 4.164,554 4.611,555 3.51,556 1052.86,557 7.97,558 12536.9,560 1,562 1,563 233.329,564 1.388,565 4.579,566 0.179,567 0.01,568 0.072,569 0.046,570 0.039,571 0.024,572 0.02,573 0.013,574 0.01,575 0.009,576 0.423,577 0.33,578 1,579 0.844,580 120.316,581 -0.046,582 -0.277,583 0.075,584 -0.135,585 -0.09,586 -0.03,587 -0.102,588 0.234,589 0.147,590 0.23,591 0.06,592 0.234,593 0.061,594 -0.114,595 -0.084,596 -0.12,597 0.065,598 -0.129,599 0.072,600 -0.129,601 -0.047,602 -0.119,603 0.009,604 -0.106,605 0.034,606 -0.061,607 0.129,608 -0.004,609 0.076,610 0.064,611 -0.089,612 -0.012,613 0.052,614 0.094,616 0.096,617 0.017,618 0.171,619 -0.151,620 -0.003,621 -0.03,622 -0.085,623 -0.006,624 -0.043,625 -0.032,626 -0.006,627 -0.054,628 -0.022,629 1.039,630 2.484,631 0.76,632 22.208,633 1.006,634 1.124,635 2.6,636 6.76,637 0.681,638 3.367,639 3.714,640 4.025,641 4.317,642 4.595,643 4.736,644 4.913,645 5.075,646 5.1,647 5.187,648 6.102,649 0.656,650 334.41,651 3.367,652 4.92,653 5.79,654 6.683,655 7.574,656 8.476,657 9.375,658 10.282,659 11.187,660 12.098,661 9.3,667 1,669 1,671 2,674 4,675 8,676 2,678 1,680 4,682 21,692 1,695 1,697 1,699 43,700 21,701 2,702 28,704 46,705 19,706 16,707 5,708 7,710 4,711 7,721 16,722 3,733 1,735 1,736 18,737 6,738 1,739 6,743 4,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 3,785 25,790 1,791 1,794 1,801 4.7,806 2,808 12.5,809 8.85,810 5.472,811 2.35,812 4.309,813 1.558,814 1.016,815 4.035,816 12.026,817 3.676,818 4.366,819 5.061,820 5.752,821 6.4,822 6.841,823 7.365,824 7.877,825 8.167,826 8.566,827 1,828 41,829 9.164,831 3.843,832 7.613,833 17.538,835 14.14,837 2.113,838 52.833,841 1,842 200.109,843 130.103,844 54.706,846 20.507,849 130.103,850 220.616,851 54.706,852 27.676,854 66.334,855 45.342,856 65.735,857 12,858 188.338,860 200.109,861 184.809,862 20.507,865 200.109,866 20.507,869 28.773,870 122.464,871 33.571,873 200.109,874 75.213,875 130.103,878 200.109,879 27.474,880 105.752,881 18.011,882 54.078,883 200.109,884 75.213,885 130.103,887 0.585,888 0.349,889 0.186,890 0.105,891 21,892 9,893 0.087,894 4,895 2,896 1.211,897 3.719,898 214.12,899 0.211,900 19,901 108.096,904 15.878,905 6.353,906 2.926,907 3.063,908 75.213,909 15.345,910 8.712,912 5.984,914 3.448,916 18.011,917 405.425,918 38.5,926 43.247,927 48.318,928 0.29,929 0.656,930 0.786,931 0.853,932 0.87,933 0.87,934 4.907,935 1.322,936 5.784,937 4.132,938 4.394,939 5.053,940 1.324,941 6.621,942 4.315,943 6.144,944 1.213,945 7.358,946 3.099,947 4.007,948 4.956,949 0.325,950 7.567,951 3.897,952 7.473,953 1,954 9.031,955 2.918,956 6.014,957 7.396,958 0.958,959 10.678,960 5.876,961 8.843,962 0.642,963 10.761,964 2.275,965 6.447,966 8.162,967 0.268,968 12.469,969 6.286,970 10.246,971 0.407,972 12.529,973 1.529,974 7.926,975 10.071,976 0.736,977 15.11,978 7.746,979 11.674,980 0.022,981 14.324,982 0.679,983 8.742,984 11.26,985 0.188,986 17.268,987 8.546,988 13.122,989 -0.456,990 16.138,991 0.055,992 10.014,993 12.955,994 0.57,995 19.761,996 9.803,997 3.269,998 -0.669,999 17.969,1000 -1.052,1001 11.013,1002 14.354,1003 0.125,1004 22.08,1005 10.791,1006 2.801,1007 11.485,1008 19.812,1009 -1.696,1010 12.206,1011 15.966,1012 0.439,1013 24.529,1014 11.973,1015 2.653,1016 8.676,1017 21.667,1018 4.851,1019 13.293,1020 17.462,1021 0.082,1022 26.915,1023 13.049,1024 2.379,1025 8.201,1026 23.53,1027 3.772,1028 14.462,1029 19.045,1030 0.334,1031 29.354,1032 14.207,1033 2.142,1034 7.088,1035 25.403,1036 3.644,1037 15.591,1038 20.586,1039 0.054,1040 31.77,1041 15.327,1042 1.809,1043 6.48,1044 27.282,1045 3.075,1046 16.755,1047 22.162,1048 0.252,1049 34.207,1050 16.48,1051 1.45,1052 5.467,1053 29.167,1054 2.828,1055 17.907,1056 23.722,1057 0.035,1058 36.636,1059 17.621,1060 6942,1061 11261,1062 18.898,1063 29.262,1064 42.393,1065 42.569,1066 43.639,1067 42.177,1068 42.219,1069 58.253,1070 4.12,1071 124.167,1072 40.411,1073 5.523,1074 5.297,1075 6.412,1076 5.33,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.217,1082 11.541,1083 1.514,1084 1.52,1085 1.559,1086 1.506,1087 1.508,1088 2.08,1089 0.147,1090 4.435,1091 1.443,1092 4.184,1093 4.194,1094 4.167,1095 4.066,1096 5.259,1097 4.088,1098 3.922,1099 3.96,1100 3.863,1101 3.839,1102 4.82,1103 3.84,1104 3.666,1105 3.707,1106 3.617,1107 3.512,1108 4.747,1109 3.534,1110 3.444,1111 3.531,1112 3.297,1113 3.213,1114 4.562,1115 3.22,1116 3.257,1117 3.318,1118 3.132,1119 2.987,1120 4.261,1121 3.009,1122 3.055,1123 3.096,1124 2.961,1125 2.834,1126 4.159,1127 2.856,1128 2.967,1129 3.05,1130 2.817,1131 2.758,1132 3.942,1133 2.759,1134 2.874,1135 3.009,1136 2.687,1137 2.735,1138 3.674,1139 2.715,1140 0.17,1141 0.118,1142 0.245,1143 0.152,1144 0.117,1145 4.753,1146 0.173,1147 3.297,1148 0.031,1149 6.864,1150 0.41,1151 4.253,1152 0.115,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.944,1159 1.924,1160 2.025,1161 2.055,1162 1.149,1163 2.045,1164 1.902,1165 1.874,1166 1.997,1167 2.009,1168 1.111,1169 2.005,1170 1.715,1171 1.692,1172 1.781,1173 1.915,1174 0.822,1175 1.879,1176 1.412,1177 1.32,1178 1.699,1179 1.667,1180 0.75,1181 1.684,1182 1.204,1183 1.144,1184 1.564,1185 1.521,1186 0.571,1187 1.532,1188 0.967,1189 0.927,1190 1.417,1191 1.239,1192 0.469,1193 1.308,1194 0.934,1195 0.849,1196 1.181,1197 1.225,1198 0.218,1199 1.201,1200 0.919,1201 0.821,1202 1.169,1203 1.168,1204 0.201,1205 1.158,1206 4.043,1208 5.38,1209 2.398,1210 6.919,1211 4.844,1212 8.547,1213 7.066,1214 10.223,1216 5.659,1223 3.308,1224 5.259,1227 2.055,1231 28.203,1232 67.56,1233 153.149,1234 183.413,1235 199.065,1236 203.065,1237 203.065,1238 28.599,1239 7.717,1240 63.42,1241 63.42,1242 23,1243 12.614,1244 4.459,1245 3.524,1246 36.006,1247 90,1248 93,1249 0.197,1250 172.274,1251 282.04,1252 412.11,1253 23544,1255 17.389,1256 0.696,1257 0.571,1258 17.389,1259 14.277,1260 12.152,1261 0.434,1262 0.283,1263 7.756,1264 11.572,1265 7.48,1266 6.277,1267 12.152,1268 7.912,1269 11.026,1270 0.276,1271 0.148,1272 11.026,1273 5.93,1274 9.59,1275 0.174,1276 0.075,1277 9.59,1278 4.106,1279 8.043,1280 0.109,1281 0.037,1282 8.043,1283 2.751,1284 6.753,1285 0.069,1286 0.019,1287 6.753,1288 1.842,1289 0.308,1290 76.906,1291 0.23,1292 24.179,1293 0.545,1294 136,1295 402.739,1296 150.441,1297 387.34,1298 545,1299 366,1300 163,1301 418.114,1302 178.967,1303 425.548,1304 622.9,1305 397,1306 5} {0 CHEMBL2313903,1 1.79,2 6.313,3 2.318,4 5.371,5 65.472,6 9.252,7 0.833,8 3.38,9 3.475,10 3.204,11 3.019,12 4.596,13 2.988,14 3.835,15 3.962,16 3.61,17 3.414,18 5.008,19 3.357,20 3.898,21 4.009,22 3.693,23 3.465,24 5.063,25 3.398,26 3.919,27 4.066,28 3.445,29 3.378,30 5.038,31 3.265,32 3.827,33 4.059,34 2.971,35 3.076,36 4.802,37 2.941,38 3.52,39 3.733,40 2.614,41 2.723,42 4.597,43 2.6,44 3.236,45 3.49,46 2.171,47 2.217,48 4.302,49 2.113,50 2.769,51 3.005,52 1.654,53 1.777,54 3.818,55 1.724,56 0.052,57 0.393,58 3.707,59 2.138,60 6.508,61 2.145,62 0.185,63 0.617,64 8.264,65 3.862,66 15.124,67 3.785,68 0.144,69 0.688,70 9.916,71 4.057,72 9.199,73 3.93,74 0.146,75 0.673,76 11.868,77 4.874,78 12.174,79 4.834,80 0.138,81 0.571,82 12.026,83 4.421,84 13.469,85 5.157,86 0.148,87 0.43,88 9.648,89 3.193,90 13.13,91 3.413,92 0.162,93 0.279,94 5.821,95 2.105,96 14.008,97 2.752,98 0.118,99 0.178,100 3.622,101 1.081,102 9.129,103 0.99,104 6,105 26,106 0.35,107 0.725,108 0.819,109 0.856,110 0.856,111 0.856,112 2.856,113 0.93,114 -3.05,115 -3.05,116 -2.94,119 44,123 1,133 3,134 1,135 1,137 1,138 1,139 1,143 2,152 1,153 1,154 1,159 2,161 1,162 3,163 1,164 1,168 5,172 4,176 1,178 2,180 1,182 5,184 1,185 1,187 1,190 1,192 1,194 2,199 2,204 2,205 1,206 1,211 1,215 1,216 1,219 1,220 1,255 188,256 11.025,257 11.025,258 11.025,259 11.025,260 11.025,261 9.318,262 7.476,263 6.343,264 11.51,265 8.82,266 8.82,267 8.82,268 8.82,269 8.82,270 6.189,271 7.151,272 2.921,273 9.544,274 2.854,275 0.94,276 0.46,277 0.27,278 0.27,279 0.27,280 3.532,284 1,285 220,286 2,288 19.432,289 56.361,291 79.753,295 1.102,296 11.523,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 34.5,307 101,308 4.746,309 3.277,310 6.847,311 4.198,312 3.257,313 4.848,314 0.86,315 11.399,316 3.062,317 4.04,318 2.823,319 5.938,320 3.556,321 2.61,322 3.715,324 8.223,325 2.458,326 3.605,327 2.434,328 5.342,329 3.163,330 2.226,331 3.024,333 6.71,334 2.077,335 3.285,336 1.855,337 4.968,338 2.703,339 1.811,340 2.652,342 5.447,343 1.598,344 2.898,345 1.492,346 4.357,347 2.337,348 1.43,349 2.084,351 3.916,352 1.286,353 2.768,354 1.314,355 3.839,356 2.235,357 1.295,358 1.891,360 3.087,361 1.211,362 2.018,363 1.035,364 3.203,365 1.504,366 0.62,367 0.828,369 1.399,370 0.539,371 1.599,372 0.555,373 2.831,374 1.24,375 0.384,376 0.461,378 0.64,379 0.325,380 1.084,381 -0.136,382 2.407,383 0.618,384 -0.287,385 -0.378,386 -0.636,387 -0.258,388 0.804,389 -0.413,390 2.3,391 0.27,392 -0.666,393 -0.899,394 -1.649,395 -0.605,396 0.653,397 -0.714,398 2.245,399 0.168,400 -0.755,401 -1.085,402 -2.02,403 -0.685,404 0.316,405 -1.137,406 2,407 -0.235,408 -1.173,409 -1.71,411 -3.398,412 -1.103,413 -0.052,414 -1.158,415 1.58,416 -0.438,417 -1.355,418 -1.772,420 -3.723,421 -1.232,422 -0.296,423 -1.328,424 1.263,425 -0.706,426 -1.581,427 -1.999,429 -4.21,430 -1.373,431 -0.415,432 -1.875,433 1.189,434 -0.926,435 -1.891,436 -2.807,438 -5.606,439 -1.57,440 7.867,441 0.492,442 0.38,443 0.024,444 23.75,445 1.484,446 13,447 0.813,448 10.75,449 0.672,450 9.534,451 0.596,452 16.133,453 0.645,454 13.285,455 0.83,456 4.595,457 0.287,458 3.197,459 0.2,460 0.114,462 0.381,466 0.977,467 1.029,468 0.683,469 0.771,470 1.123,471 0.724,472 1.178,473 0.624,474 0.764,475 0.591,476 0.816,477 0.565,478 1.041,479 1.239,480 1.037,481 1.146,482 0.911,483 0.926,484 0.819,485 1.252,486 1.336,487 1.438,488 0.923,489 1.301,490 0.784,491 1.062,492 1.027,493 1.093,494 0.753,495 1.12,496 0.912,497 1.223,498 1.427,499 1.388,500 1.216,501 1.316,502 0.747,503 0.869,504 0.638,505 0.848,506 0.686,507 1.118,508 2.591,509 0.755,510 1.001,511 0.489,512 1.908,513 0.897,514 3,516 2,517 1.514,518 0.902,519 0.403,520 0.258,521 0.072,522 0.031,524 1856,525 5783,526 2.135,527 36,529 6,531 1,532 2,536 1.555,537 2,538 2.696,539 0.512,543 1,545 44.758,546 1.79,547 3.703,548 4.183,549 4.374,550 4.374,551 4.374,552 2.203,553 3.5,554 3.971,555 2.749,556 329.907,557 6.704,558 2721.73,560 1,562 1,563 116.096,564 1.406,565 3.933,566 0.167,568 0.077,569 0.058,570 0.045,571 0.031,572 0.029,573 0.014,574 0.01,576 0.431,577 0.67,578 1,579 0.875,580 62.516,581 -0.143,582 -0.003,583 0.042,584 0.076,585 -0.246,586 0.068,587 -0.096,588 0.388,589 0.148,590 0.373,591 0.033,592 0.307,593 -0.113,594 -0.207,595 0.016,596 -0.09,597 -0.088,598 -0.051,599 -0.016,600 -0.265,601 -0.251,602 -0.37,603 -0.075,604 -0.36,605 -0.014,606 -0.167,607 -0.044,608 -0.127,609 0.083,610 -0.063,611 0.04,612 -0.254,613 -0.35,614 -0.38,615 -0.088,616 -0.317,617 0.517,618 -0.05,619 0.143,620 -0.061,621 0.495,622 -0.079,623 -0.749,624 0.165,625 -0.246,626 0.251,627 -0.49,628 0.014,629 1.134,630 1.819,631 0.813,632 8.344,633 1.014,634 1.115,635 1.822,636 3.318,637 0.736,638 2.944,639 3.296,640 3.638,641 3.951,642 4.205,643 4.304,644 4.419,645 4.489,646 4.248,647 4.06,648 3.832,649 0.702,650 231.3,651 2.944,652 4.489,653 5.371,654 6.275,655 7.179,656 8.092,657 9.003,658 9.919,659 10.834,660 11.752,661 12,665 1,671 2,674 4,675 4,676 2,679 1,680 2,682 15,691 1,697 1,699 25,700 15,701 1,702 18,704 27,705 11,706 10,707 3,708 3,710 3,711 6,721 10,722 1,733 1,736 9,737 4,738 2,739 5,740 1,743 3,747 0.333,748 1,755 1,759 1,760 2,762 2,777 1,779 1,781 1,785 16,786 1,791 1,797 1,801 4,806 1,808 8,809 4.9,810 3.528,811 1.303,812 3.25,813 1.499,814 1.049,815 2.177,816 9.765,817 3.277,818 4.012,819 4.758,820 5.488,821 6.135,822 6.597,823 7.094,824 7.552,825 7.654,826 7.861,827 1,828 26,829 5.845,831 2.484,832 7.708,833 11.111,835 9.125,837 2.208,838 35.333,839 0.003,842 82.398,843 92.988,844 66.468,846 11,848 31.278,849 61.71,850 93.398,851 66.468,852 10.883,854 61.326,855 45.342,856 29.579,857 3.82,858 101.904,860 82.398,861 128.179,862 11,863 31.278,865 82.398,866 11,869 10.763,870 83.845,871 33.571,872 31.278,873 82.398,874 77.468,875 92.988,878 82.398,879 45.058,880 47.93,882 77.468,883 82.398,884 77.468,885 92.988,887 0.584,888 0.361,889 0.201,890 0.114,891 15,892 6,893 0.037,894 1,895 2,896 1.308,897 2.822,898 116.448,899 0.308,900 13,901 64,902 1,904 9.785,905 3.559,906 1.449,907 4.053,908 77.468,909 7.404,910 8.255,913 1.588,914 1.371,916 32.897,917 252.854,918 25.5,926 25.36,927 27.87,928 0.386,929 0.797,930 0.901,931 0.942,932 0.942,933 0.942,934 4.497,935 0.384,936 5.371,937 1.399,938 3.97,939 4.696,940 0.908,941 6.236,942 3.823,943 5.755,944 -0.287,945 6.961,946 0.64,947 3.611,948 4.691,950 7.235,951 3.416,952 7.102,953 -0.666,954 8.653,955 -0.636,956 5.609,957 7.119,958 0.739,959 10.375,960 5.345,961 8.495,962 -0.755,963 10.404,964 -1.649,965 6.089,966 7.979,968 12.222,969 5.763,970 9.921,971 -1.173,972 12.193,973 -2.02,974 7.566,975 9.876,976 0.593,977 14.889,978 7.189,979 11.374,980 -1.355,981 14.009,982 -3.398,983 8.432,984 11.137,986 17.087,987 7.987,988 12.846,989 -1.581,990 15.845,991 -3.723,992 9.71,993 12.829,994 0.469,995 19.597,996 9.216,997 3.257,998 -1.891,999 17.696,1000 -4.21,1001 10.752,1002 14.272,1004 21.936,1005 10.187,1006 2.61,1007 11.399,1008 19.56,1009 -5.606,1010 11.958,1011 15.887,1012 0.366,1013 24.394,1014 11.341,1015 2.226,1016 8.223,1017 21.434,1018 4.848,1019 13.075,1020 17.407,1022 26.79,1023 12.39,1024 1.811,1025 6.71,1026 23.316,1027 3.715,1028 14.258,1029 18.995,1030 0.283,1031 29.23,1032 13.516,1033 1.43,1034 5.447,1035 25.205,1036 3.024,1037 15.408,1038 20.548,1040 31.648,1041 14.601,1042 1.295,1043 3.916,1044 27.1,1045 2.652,1046 16.585,1047 22.128,1048 0.217,1049 34.083,1050 15.719,1051 0.62,1052 3.087,1053 28.999,1054 2.084,1055 17.75,1056 23.694,1058 36.51,1059 16.82,1060 1850,1061 3355,1062 12.137,1063 18.404,1064 27.254,1065 27.685,1066 28.544,1067 27.204,1068 27.267,1069 39.006,1070 1.72,1071 81.644,1072 25.11,1073 5.301,1074 5.277,1075 6.395,1076 5.314,1077 5.257,1078 7.848,1079 1.72,1080 18.704,1081 5.062,1082 6.501,1083 1.514,1084 1.538,1085 1.586,1086 1.511,1087 1.515,1088 2.167,1089 0.096,1090 4.536,1091 1.395,1092 4.156,1093 4.165,1094 4.397,1095 4.163,1096 5.231,1097 4.118,1098 3.672,1099 3.713,1100 3.628,1101 3.528,1102 4.897,1103 3.542,1104 3.264,1105 3.326,1106 3.365,1107 3.038,1108 4.693,1109 3.027,1110 3.028,1111 3.11,1112 3.078,1113 2.951,1114 4.365,1115 2.907,1116 2.976,1117 3.046,1118 2.811,1119 2.731,1120 3.852,1121 2.729,1122 2.807,1123 2.879,1124 2.652,1125 2.615,1126 3.73,1127 2.622,1128 2.288,1129 2.373,1130 2.272,1131 2.095,1132 3.462,1133 2.076,1134 2.125,1135 2.199,1136 2.075,1137 1.947,1138 3.034,1139 1.896,1140 0.264,1141 0.182,1142 0.38,1143 0.233,1144 0.181,1145 4.746,1146 0.269,1147 3.277,1148 0.048,1149 6.847,1150 0.633,1151 4.198,1152 0.17,1153 3.257,1154 4.848,1155 0.86,1156 11.399,1157 3.062,1158 1.937,1159 1.922,1160 2,1161 2.029,1162 1.153,1163 2.019,1164 1.751,1165 1.735,1166 1.746,1167 1.874,1168 0.885,1169 1.872,1170 1.21,1171 1.155,1172 1.56,1173 1.51,1174 0.577,1175 1.529,1176 0.992,1177 0.958,1178 1.188,1179 1.266,1180 0.251,1181 1.256,1182 0.912,1183 0.829,1184 1.127,1185 1.084,1186 0.13,1187 1.141,1188 0.755,1189 0.678,1190 0.968,1191 0.936,1193 0.955,1194 0.576,1195 0.501,1196 0.715,1197 0.734,1199 0.802,1202 0.312,1203 0.307,1205 0.294,1206 3.611,1208 4.949,1209 2.398,1210 6.503,1211 4.844,1212 8.154,1213 7.066,1214 9.854,1216 1.655,1220 5.819,1224 5.188,1231 17.547,1232 44.758,1233 92.587,1234 104.587,1235 109.342,1236 109.342,1237 109.342,1238 15.49,1239 6.515,1240 61.03,1241 89.27,1242 17,1243 12.262,1244 4,1245 3.087,1246 21.713,1247 39,1248 38,1249 0.316,1250 112.052,1251 173.54,1252 265.166,1253 4686,1255 11.121,1256 0.695,1257 0.588,1258 11.475,1259 9.414,1260 7.792,1261 0.433,1262 0.31,1263 4.749,1264 7.028,1265 4.544,1266 3.773,1267 8.2,1268 5.577,1269 6.983,1270 0.269,1271 0.171,1272 7.599,1273 4.453,1274 6.33,1275 0.171,1276 0.099,1277 7.205,1278 3.652,1279 5.404,1280 0.106,1281 0.055,1282 6.387,1283 2.786,1284 4.493,1285 0.068,1286 0.03,1287 5.427,1288 1.947,1289 0.461,1290 53.147,1291 0.287,1292 15.656,1293 0.97,1294 88,1295 267.198,1296 121.081,1297 280.303,1298 390.84,1299 264,1300 107,1301 278.063,1302 140.209,1303 300.257,1304 442.55,1305 281,1306 5} {0 CHEMBL2313904,1 1.634,2 9.045,3 4.614,4 21.291,5 89.257,6 8.783,7 0.84,8 3.693,9 3.785,10 3.469,11 3.359,12 4.851,13 3.322,14 4.161,15 4.288,16 3.853,17 3.745,18 5.28,19 3.684,20 4.301,21 4.45,22 3.926,23 3.803,24 5.362,25 3.727,26 4.304,27 4.481,28 3.787,29 3.743,30 5.324,31 3.637,32 4.237,33 4.442,34 3.635,35 3.645,36 5.225,37 3.533,38 4.129,39 4.301,40 3.548,41 3.582,42 5.176,43 3.467,44 4.034,45 4.226,46 3.312,47 3.409,48 5.06,49 3.299,50 3.836,51 4.029,52 2.965,53 3.185,54 4.844,55 3.086,56 0.019,57 0.494,58 5.518,59 2.969,60 5.257,61 3.309,62 0.151,63 0.815,64 11.121,65 5.169,66 14.297,67 5.535,68 0.141,69 0.97,70 15.641,71 6.12,72 12.577,73 6.726,74 0.156,75 0.965,76 17.041,77 6.775,78 14.73,79 7.452,80 0.125,81 0.895,82 16.711,83 6.454,84 15.155,85 7.437,86 0.16,87 0.827,88 16.657,89 6.033,90 14.521,91 6.299,92 0.19,93 0.704,94 12.752,95 5.032,96 14.663,97 5.924,98 0.112,99 0.563,100 9.308,101 3.807,102 12.527,103 4.429,104 3,105 35,106 0.292,107 0.603,108 0.735,109 0.837,110 0.851,111 0.851,112 3.148,113 0.924,114 -4.65,115 -4.57,116 -4.3,119 48.6,123 1,133 8,134 1,135 2,137 1,138 1,139 1,143 2,159 6,161 1,162 3,164 1,166 2,168 9,172 4,176 3,178 4,182 7,185 1,187 2,190 1,194 4,199 2,202 2,205 1,206 4,211 1,213 4,216 1,217 2,220 1,224 7,229 1,237 7,242 2,250 4,255 606,256 15.455,257 15.455,258 15.455,259 15.455,260 15.455,261 13.05,262 13.8,263 9.185,264 15.972,265 12.33,266 12.33,267 12.33,268 12.33,269 12.33,270 8.694,271 22.151,272 4.326,273 13.115,274 3.496,275 1.751,276 1.015,277 0.443,278 0.364,279 0.364,280 3.853,284 1,285 441,286 2.345,288 30.039,289 144.589,291 122.993,295 1.417,296 11.252,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 46.5,307 199,308 4.752,309 3.297,310 6.864,311 4.208,312 3.269,313 4.851,314 0.86,315 11.485,316 3.069,317 4.097,318 2.881,319 6.034,320 3.655,321 2.705,322 3.752,323 0.4,324 8.662,325 2.567,326 3.867,327 2.681,328 5.449,329 3.422,330 2.461,331 3.429,333 7.163,334 2.36,335 3.595,336 2.329,337 5.263,338 3.142,339 2.195,340 3.022,342 6.565,343 2.069,344 3.287,345 1.863,346 4.973,347 2.711,348 1.815,349 2.653,351 5.474,352 1.614,353 2.957,354 1.58,355 4.459,356 2.475,357 1.521,358 2.148,360 4.163,361 1.443,362 2.862,363 1.413,364 3.842,365 2.305,366 1.38,367 2.034,369 3.11,370 1.264,371 2.743,372 1.299,373 3.596,374 2.224,375 1.271,376 1.855,378 2.997,379 1.204,380 2.5,381 1.034,382 3.247,383 2,384 1,385 1.5,386 2.136,387 1,388 2.037,389 1,390 3.246,391 1.528,392 0.638,393 0.856,394 1.508,395 0.558,396 1.609,397 0.594,398 2.846,399 1.266,400 0.403,401 0.477,402 0.671,403 0.344,404 1.302,405 0.091,406 2.785,407 0.889,408 -0.031,409 -0.041,411 -0.078,412 -0.029,413 0.865,414 -0.317,415 2.402,416 0.394,417 -0.538,418 -0.722,420 -1.22,421 -0.494,422 0.802,423 -0.567,424 2.249,425 0.253,426 -0.683,427 -0.964,429 -1.776,430 -0.618,431 0.634,432 -0.718,433 2.207,434 0.154,435 -0.783,436 -1.099,438 -2.02,439 -0.727,440 10.867,441 0.494,442 0.41,443 0.019,444 33.5,445 1.523,446 19,447 0.864,448 14.5,449 0.659,450 14.015,451 0.637,452 21.533,453 0.615,454 20.731,455 0.942,456 6.565,457 0.298,458 4.283,459 0.195,460 0.046,462 0.322,466 0.897,467 1.071,468 0.677,469 0.823,470 0.848,471 0.772,472 1.186,473 0.831,474 0.826,475 0.75,476 1.013,477 0.755,478 1.047,479 1.243,480 0.993,481 1.093,482 0.972,483 0.949,484 0.899,485 1.152,486 1.114,487 1.154,488 0.927,489 1.055,490 0.889,491 1.002,492 1.031,493 0.968,494 0.903,495 0.899,496 0.931,497 1.156,498 1.554,499 1.338,500 0.969,501 1.106,502 0.788,503 0.958,504 1.108,505 1.077,506 0.84,507 1.101,508 1.298,509 0.986,510 1.057,511 0.993,512 1.385,513 1.159,514 3.5,515 0.025,516 2,517 1.576,518 1.093,519 0.497,520 0.47,521 0.206,522 0.109,523 0.061,524 5061,525 13651,526 2.205,527 37.1,529 11,531 1,532 1,536 1.647,537 2.129,538 3.166,539 -0.31,545 57.177,546 1.634,547 3.378,548 4.115,549 4.686,550 4.765,551 4.765,552 2.652,553 3.754,554 4.428,555 3.26,556 753.087,557 7.617,558 8005.55,560 1,563 179.525,564 1.143,565 4.418,566 0.14,567 0.004,568 0.057,569 0.045,570 0.036,571 0.018,572 0.019,573 0.01,574 0.007,575 0.007,576 0.344,577 0.33,578 1,579 0.608,580 99.832,581 -0.052,582 -0.083,583 0.063,584 0.017,585 -0.078,586 0.027,587 -0.053,588 0.181,589 0.071,590 0.175,591 -0.045,592 0.095,593 -0.047,594 -0.217,595 0.052,596 -0.087,597 -0.067,598 -0.046,599 0.014,600 -0.13,601 -0.032,602 -0.125,603 -0.029,604 -0.105,605 -0.053,606 0.012,607 0.046,608 0.061,609 0.054,610 0.098,611 -0.03,612 -0.083,613 -0.302,614 -0.208,615 -0.017,616 -0.148,617 0.188,618 0.021,619 -0.153,620 -0.12,621 0.164,622 -0.137,623 -0.266,624 -0.039,625 -0.286,626 -0.149,627 -0.319,628 -0.223,629 0.837,630 1.799,631 0.864,632 17.099,633 1.004,634 1.106,635 3.422,636 11.708,637 0.741,638 3.258,639 3.584,640 3.912,641 4.234,642 4.511,643 4.625,644 4.82,645 4.984,646 4.97,647 5.017,648 5.227,649 0.703,650 307.4,651 3.258,652 4.796,653 5.666,654 6.558,655 7.451,656 8.354,657 9.257,658 10.168,659 11.077,660 11.991,661 8.6,669 1,671 2,674 4,675 9,676 2,679 1,680 3,682 21,692 1,697 1,699 35,700 21,701 2,702 25,704 38,705 17,706 16,707 4,708 8,710 4,711 7,721 16,722 1,733 1,736 13,737 4,738 1,739 5,740 1,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,785 22,790 1,791 1,797 1,801 2.9,806 1,808 10.333,809 6.733,810 4.861,811 1.956,812 4.245,813 1.572,814 1.055,815 3.391,816 11.671,817 3.597,818 4.287,819 4.992,820 5.701,821 6.348,822 6.779,823 7.324,824 7.844,825 8.114,826 8.489,827 1,828 35,829 8.063,831 3.417,832 7.568,833 15.553,835 12.813,837 2.068,838 45.5,842 141.253,843 143.126,844 51.582,846 11,848 31.278,849 111.848,850 152.253,851 51.582,852 10.883,854 75.81,855 45.342,856 50.347,857 3.82,858 160.76,860 141.253,861 163.43,862 11,863 31.278,865 141.253,866 11,869 28.773,870 101.086,871 33.571,872 31.278,873 141.253,874 62.582,875 143.126,878 141.253,879 47.814,880 95.312,881 18.011,882 44.571,883 141.253,884 62.582,885 143.126,887 0.574,888 0.345,889 0.197,890 0.112,891 19,892 7,893 0.079,894 3,895 2,896 1.211,897 3.497,898 182.001,899 0.211,900 19,901 94.107,902 1,904 13.467,905 5.54,906 2.432,907 4.288,908 62.582,909 17.666,910 8.843,913 1.67,914 2.693,916 18.011,917 346.961,918 35.5,926 35.127,927 38.7,928 0.318,929 0.659,930 0.802,931 0.914,932 0.929,933 0.929,934 4.806,935 1.271,936 5.638,937 3.11,938 4.263,939 4.973,940 1.029,941 6.469,942 4.142,943 6.035,944 1,945 7.198,946 2.997,947 3.761,948 4.808,950 7.391,951 3.58,952 7.358,953 0.638,954 8.861,955 2.136,956 5.861,957 7.324,958 0.763,959 10.541,960 5.631,961 8.724,962 0.403,963 10.588,964 1.508,965 6.236,966 8.065,968 12.351,969 5.928,970 10.127,971 -0.031,972 12.357,973 0.671,974 7.768,975 10.01,976 0.597,977 15.015,978 7.425,979 11.557,980 -0.538,981 14.156,982 -0.078,983 8.566,984 11.197,986 17.196,987 8.138,988 13.01,989 -0.683,990 15.978,991 -1.22,992 9.867,993 12.91,994 0.47,995 19.704,996 9.401,997 3.269,998 -0.783,999 17.818,1000 -1.776,1001 10.869,1002 14.313,1004 22.038,1005 10.318,1006 2.705,1007 11.485,1008 19.672,1009 -2.02,1010 12.081,1011 15.935,1012 0.367,1013 24.497,1014 11.484,1015 2.461,1016 8.662,1017 21.537,1018 4.851,1019 13.178,1020 17.436,1022 26.893,1023 12.502,1024 2.195,1025 7.163,1026 23.412,1027 3.752,1028 14.361,1029 19.025,1030 0.283,1031 29.337,1032 13.63,1033 1.815,1034 6.565,1035 25.296,1036 3.429,1037 15.501,1038 20.569,1040 31.758,1041 14.697,1042 1.521,1043 5.474,1044 27.185,1045 3.022,1046 16.676,1047 22.149,1048 0.217,1049 34.198,1050 15.813,1051 1.38,1052 4.163,1053 29.081,1054 2.653,1055 17.836,1056 23.712,1058 36.629,1059 16.905,1060 4765,1061 7957,1062 17.394,1063 25.926,1064 37.375,1065 37.726,1066 38.039,1067 37.279,1068 37.312,1069 53.157,1070 2.52,1071 107.865,1072 34.984,1073 5.509,1074 5.297,1075 6.666,1076 5.339,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.069,1082 6.056,1083 1.495,1084 1.509,1085 1.522,1086 1.491,1087 1.492,1088 2.126,1089 0.101,1090 4.315,1091 1.399,1092 4.163,1093 4.173,1094 4.399,1095 4.166,1096 5.102,1097 4.123,1098 3.888,1099 3.922,1100 3.825,1101 3.819,1102 4.811,1103 3.814,1104 3.655,1105 3.692,1106 3.615,1107 3.521,1108 4.747,1109 3.533,1110 3.26,1111 3.32,1112 3.361,1113 3.041,1114 4.388,1115 3.032,1116 3.049,1117 3.125,1118 3.084,1119 2.956,1120 4.075,1121 2.913,1122 3.007,1123 3.049,1124 2.9,1125 2.83,1126 3.85,1127 2.831,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.688,1133 2.715,1134 2.824,1135 2.889,1136 2.679,1137 2.685,1138 3.674,1139 2.673,1140 0.19,1141 0.132,1142 0.275,1143 0.168,1144 0.131,1145 4.752,1146 0.194,1147 3.297,1148 0.034,1149 6.864,1150 0.459,1151 4.208,1152 0.123,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.069,1158 1.943,1159 1.924,1160 2.022,1161 2.046,1162 1.154,1163 2.036,1164 1.892,1165 1.865,1166 1.989,1167 1.977,1168 1.072,1169 1.987,1170 1.725,1171 1.709,1172 1.724,1173 1.834,1174 0.89,1175 1.834,1176 1.21,1177 1.155,1178 1.558,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.959,1184 1.196,1185 1.236,1186 0.256,1187 1.229,1188 0.987,1189 0.918,1190 1.181,1191 1.084,1192 0.246,1193 1.141,1194 0.886,1195 0.821,1196 1.127,1197 1.062,1198 0.218,1199 1.107,1200 0.806,1201 0.752,1202 0.97,1203 0.947,1204 0.104,1205 0.966,1206 3.932,1208 5.252,1209 2.398,1210 6.786,1211 4.844,1212 8.414,1213 7.066,1214 10.093,1216 1.677,1223 3.365,1224 5.299,1231 24.6,1232 57.177,1233 118.241,1234 144.015,1235 164.015,1236 166.77,1237 166.77,1238 21.725,1239 7.426,1240 47.04,1241 75.28,1242 23,1243 12.505,1244 4.459,1245 3.524,1246 29.844,1247 68,1248 72,1249 0.22,1250 153.43,1251 246.16,1252 366.13,1253 16161,1255 14.941,1256 0.679,1257 0.578,1258 15.295,1259 12.724,1260 10.848,1261 0.434,1262 0.308,1263 6.864,1264 10.06,1265 6.615,1266 5.502,1267 11.256,1268 7.699,1269 9.505,1270 0.272,1271 0.169,1272 10.121,1273 5.907,1274 8.481,1275 0.173,1276 0.095,1277 9.321,1278 4.645,1279 7.376,1280 0.108,1281 0.052,1282 8.387,1283 3.559,1284 6.277,1285 0.07,1286 0.028,1287 7.281,1288 2.544,1289 0.335,1290 71.6,1291 0.24,1292 21.429,1293 0.63,1294 120,1295 336.219,1296 154.108,1297 350.613,1298 494.63,1299 332,1300 144,1301 359.471,1302 178.541,1303 383.963,1304 564.98,1305 361,1306 5} {0 CHEMBL2313905,1 1.605,2 9.739,3 5.1,4 26.014,5 94.299,6 8.459,7 0.808,8 3.762,9 3.86,10 3.505,11 3.418,12 4.897,13 3.376,14 4.245,15 4.387,16 3.897,17 3.81,18 5.33,19 3.744,20 4.378,21 4.521,22 3.974,23 3.889,24 5.438,25 3.806,26 4.444,27 4.64,28 3.823,29 3.839,30 5.42,31 3.716,32 4.349,33 4.575,34 3.67,35 3.705,36 5.291,37 3.584,38 4.182,39 4.357,40 3.584,41 3.624,42 5.224,43 3.514,44 4.129,45 4.33,46 3.391,47 3.491,48 5.126,49 3.381,50 3.963,51 4.158,52 3.187,53 3.342,54 4.97,55 3.244,56 0.01,57 0.538,58 6.607,59 3.353,60 6.171,61 3.909,62 0.148,63 0.888,64 13.489,65 5.909,66 15.431,67 6.721,68 0.119,69 1.046,70 17.024,71 6.642,72 13.864,73 7.656,74 0.155,75 1.095,76 20.631,77 8.032,78 18.679,79 9.428,80 0.118,81 0.989,82 19.767,83 7.446,84 17.554,85 9.042,86 0.173,87 0.885,88 17.606,89 6.105,90 16.224,91 6.507,92 0.182,93 0.768,94 14.567,95 5.663,96 16.017,97 6.966,98 0.124,99 0.653,100 10.208,101 4.096,102 14.688,103 4.952,104 6,105 37,106 0.282,107 0.631,108 0.769,109 0.842,110 0.842,111 0.842,112 3.189,113 0.936,114 -4.89,115 -4.8,116 -4.5,119 47.4,120 1,123 1,133 7,134 2,135 2,137 1,138 1,139 1,143 2,159 7,161 1,162 3,164 1,166 2,168 11,172 4,176 3,178 6,182 7,185 1,187 2,190 1,194 4,199 3,202 2,205 1,206 4,211 1,213 4,216 1,217 3,220 1,224 7,229 1,237 8,242 3,250 5,255 693,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 16.226,263 9.271,264 16.42,265 12.797,266 12.797,267 12.797,268 12.797,269 12.797,270 9.099,271 23.622,272 4.361,273 13.582,274 3.643,275 1.662,276 0.873,277 0.461,278 0.461,279 0.461,280 3.892,284 1,285 494,286 2.449,288 32.495,289 155.341,291 132.804,295 1.49,296 12.034,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 48.5,307 224,308 4.753,309 3.297,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.112,318 2.891,319 6.035,320 3.682,321 2.723,322 3.762,323 0.4,324 8.665,325 2.618,326 3.964,327 2.732,328 5.473,329 3.507,330 2.537,331 3.586,333 7.246,334 2.446,335 3.636,336 2.503,337 5.311,338 3.221,339 2.272,340 3.052,342 6.696,343 2.151,344 3.373,345 2.18,346 5.001,347 2.975,348 2.007,349 2.682,351 5.727,352 1.936,353 3.278,354 1.843,355 4.87,356 2.697,357 1.802,358 2.634,360 5.415,361 1.594,362 2.897,363 1.492,364 4.436,365 2.34,366 1.429,367 2.083,369 4.086,370 1.291,371 2.771,372 1.316,373 3.841,374 2.238,375 1.298,376 1.895,378 3.094,379 1.213,380 2.5,381 1.042,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.047,389 1,390 3.274,391 1.547,392 0.654,393 0.874,394 1.562,395 0.574,396 1.617,397 0.65,398 2.902,399 1.288,400 0.418,401 0.489,402 0.7,403 0.359,404 1.431,405 0.31,406 2.822,407 1.055,408 0.125,409 0.159,411 0.289,412 0.115,413 1.029,414 -0.135,415 2.403,416 0.606,417 -0.335,418 -0.434,420 -0.767,421 -0.313,422 0.804,423 -0.372,424 2.254,425 0.286,426 -0.652,427 -0.86,429 -1.595,430 -0.597,431 0.677,432 -0.7,433 2.233,434 0.193,435 -0.729,436 -1.063,438 -2.02,439 -0.659,440 11.367,441 0.494,442 0.516,443 0.022,444 34,445 1.478,446 19,447 0.826,448 15,449 0.652,450 15.923,451 0.692,452 22.833,453 0.601,454 21.505,455 0.935,456 6.605,457 0.287,458 4.636,459 0.202,460 0.088,462 0.352,466 0.89,467 1.089,468 0.696,469 0.85,470 0.876,471 0.805,472 1.144,473 0.795,474 0.778,475 0.711,476 0.92,477 0.706,478 1.039,479 1.292,480 1.023,481 1.146,482 0.996,483 1.024,484 0.835,485 1.139,486 1.07,487 1.137,488 0.933,489 1.064,490 0.817,491 1.001,492 0.946,493 0.929,494 0.799,495 0.852,496 1.11,497 1.135,498 1.579,499 1.291,500 1.103,501 1.079,502 0.73,503 0.979,504 1.022,505 1.037,506 0.739,507 1.032,508 1.411,509 0.878,510 0.955,511 0.824,512 1.523,513 1.038,514 4.5,515 0.046,516 2.444,517 1.639,518 1.284,519 0.553,520 0.55,521 0.293,522 0.165,523 0.141,524 5726,525 14768,526 2.168,527 39.5,528 3,529 10,531 1,532 1,536 1.658,537 2.06,538 3.254,539 -0.326,545 61.004,546 1.605,547 3.586,548 4.375,549 4.787,550 4.787,551 4.787,552 2.714,553 4.002,554 4.491,555 3.351,556 847.794,557 7.739,558 9356.57,563 199.421,564 1.302,565 4.469,566 0.173,567 0.006,568 0.066,569 0.044,570 0.041,571 0.02,572 0.021,573 0.013,574 0.009,575 0.012,576 0.406,577 0.33,578 1,579 0.7,580 106.561,581 -0.037,582 -0.082,583 0.068,584 0.017,585 -0.085,586 0.027,587 -0.011,588 0.223,589 0.141,590 0.234,591 0.058,592 0.18,593 -0.049,594 -0.258,595 -0.003,596 -0.148,597 -0.098,598 -0.127,599 0.043,600 -0.133,601 -0.006,602 -0.112,603 -0.035,604 -0.092,605 0.012,606 -0.002,607 0.13,608 0.1,609 0.157,610 0.16,611 -0.102,612 -0.011,613 -0.331,614 -0.18,615 -0.113,616 -0.151,617 0.231,618 -0.003,619 -0.072,620 -0.079,621 0.249,622 -0.064,623 -0.318,624 0.121,625 -0.199,627 -0.393,628 -0.138,629 0.834,630 1.81,631 0.826,632 18.495,633 1,634 1.108,635 3.659,636 13.391,637 0.729,638 3.296,639 3.638,640 3.951,641 4.263,642 4.554,643 4.663,644 4.852,645 5.024,646 5.024,647 5.094,648 5.518,649 0.688,650 321.43,651 3.296,652 4.844,653 5.714,654 6.608,655 7.499,656 8.403,657 9.304,658 10.213,659 11.121,660 12.033,661 7.9,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 1,699 38,700 21,701 2,702 26,704 41,705 18,706 16,707 5,708 7,710 4,711 7,715 1,721 16,722 2,736 15,737 4,738 1,739 5,740 1,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 23,790 1,791 1,797 1,801 2.6,806 1,808 11.167,809 7.65,810 5.028,811 2.15,812 4.272,813 1.567,814 1.044,815 3.62,816 11.804,817 3.624,818 4.327,819 5.022,820 5.723,821 6.377,822 6.804,823 7.337,824 7.862,825 8.141,826 8.53,827 0.857,828 37,829 8.439,831 3.565,832 7.551,833 16.328,835 13.456,837 2.051,838 47.167,842 164.795,843 145.661,844 51.582,846 11,848 31.278,849 114.383,850 175.795,851 51.582,852 19.708,854 66.334,855 45.342,856 53.532,857 3.82,858 184.302,860 164.795,861 165.965,862 11,863 31.278,865 164.795,866 11,869 37.599,870 94.795,871 33.571,872 31.278,873 164.795,874 62.582,875 145.661,878 164.795,879 51,880 94.661,881 18.011,882 44.571,883 164.795,884 62.582,885 145.661,887 0.582,888 0.346,889 0.19,890 0.112,891 20,892 8,893 0.073,894 3,895 2,896 1.211,897 3.562,898 192.908,899 0.211,900 19,901 100.042,902 1,904 14.401,905 5.782,906 2.636,907 4.292,908 62.582,909 15.929,910 8.879,913 1.673,914 3.937,916 18.011,917 373.038,918 36.5,926 38.011,927 42.116,928 0.306,929 0.683,930 0.834,931 0.912,932 0.912,933 0.912,934 4.846,935 1.298,936 5.7,937 4.086,938 4.317,939 5.014,940 1.029,941 6.532,942 4.204,943 6.086,944 1,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.734,952 7.417,953 0.654,954 8.93,955 2.275,956 5.927,957 7.37,958 0.763,959 10.583,960 5.714,961 8.787,962 0.418,963 10.653,964 1.562,965 6.33,966 8.132,968 12.376,969 6.053,970 10.191,971 0.125,972 12.415,973 0.7,974 7.828,975 10.05,976 0.597,977 15.034,978 7.51,979 11.619,980 -0.335,981 14.207,982 0.289,983 8.631,984 11.239,986 17.206,987 8.235,988 13.069,989 -0.652,990 16.021,991 -0.767,992 9.916,993 12.939,994 0.47,995 19.712,996 9.477,997 3.269,998 -0.729,999 17.853,1000 -1.595,1001 10.914,1002 14.339,1004 22.042,1005 10.395,1006 2.723,1007 11.485,1008 19.701,1009 -2.02,1010 12.118,1011 15.954,1012 0.367,1013 24.5,1014 11.548,1015 2.537,1016 8.665,1017 21.56,1018 4.851,1019 13.21,1020 17.452,1022 26.894,1023 12.562,1024 2.272,1025 7.246,1026 23.431,1027 3.762,1028 14.387,1029 19.038,1030 0.283,1031 29.338,1032 13.682,1033 2.007,1034 6.696,1035 25.31,1036 3.586,1037 15.523,1038 20.58,1040 31.758,1041 14.745,1042 1.802,1043 5.727,1044 27.197,1045 3.052,1046 16.695,1047 22.157,1048 0.217,1049 34.198,1050 15.855,1051 1.429,1052 5.415,1053 29.09,1054 2.682,1055 17.852,1056 23.718,1058 36.63,1059 16.942,1060 5424,1061 8861,1062 17.8,1063 27.688,1064 39.066,1065 39.559,1066 40.228,1067 38.996,1068 39.067,1069 55.131,1070 2.52,1071 114.479,1072 36.732,1073 5.513,1074 5.297,1075 6.412,1076 5.339,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.07,1082 8.876,1083 1.503,1084 1.522,1085 1.547,1086 1.5,1087 1.503,1088 2.12,1089 0.097,1090 4.403,1091 1.413,1092 4.163,1093 4.173,1094 4.399,1095 4.167,1096 5.102,1097 4.123,1098 3.914,1099 3.945,1100 3.854,1101 3.852,1102 4.808,1103 3.846,1104 3.66,1105 3.699,1106 3.62,1107 3.525,1108 4.737,1109 3.537,1110 3.278,1111 3.341,1112 3.363,1113 3.085,1114 4.388,1115 3.08,1116 3.193,1117 3.274,1118 3.123,1119 3.01,1120 4.105,1121 2.985,1122 3.018,1123 3.054,1124 2.999,1125 2.938,1126 3.852,1127 2.9,1128 2.875,1129 2.959,1130 2.717,1131 2.735,1132 3.796,1133 2.715,1134 2.854,1135 2.925,1136 2.687,1137 2.708,1138 3.674,1139 2.697,1140 0.183,1141 0.127,1142 0.264,1143 0.162,1144 0.126,1145 4.753,1146 0.187,1147 3.297,1148 0.033,1149 6.864,1150 0.442,1151 4.209,1152 0.118,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.946,1159 1.926,1160 2.042,1161 2.05,1162 1.156,1163 2.044,1164 1.912,1165 1.888,1166 1.995,1167 1.99,1168 1.133,1169 1.999,1170 1.733,1171 1.717,1172 1.733,1173 1.844,1174 0.904,1175 1.845,1176 1.235,1177 1.17,1178 1.565,1179 1.511,1180 0.605,1181 1.531,1182 1.194,1183 1.129,1184 1.52,1185 1.431,1186 0.575,1187 1.467,1188 0.992,1189 0.957,1190 1.181,1191 1.106,1192 0.251,1193 1.148,1194 0.886,1195 0.821,1196 1.127,1197 1.077,1198 0.218,1199 1.107,1200 0.859,1201 0.794,1202 1.062,1203 1.062,1204 0.158,1205 1.095,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.47,1213 7.066,1214 10.148,1216 3.755,1223 3.392,1224 5.31,1231 26.127,1232 61.004,1233 136.26,1234 166.26,1235 181.911,1236 181.911,1237 181.911,1238 23.935,1239 7.532,1240 47.04,1241 75.28,1242 23,1243 12.548,1244 4.459,1245 3.524,1246 31.844,1247 75,1248 83,1249 0.212,1250 163.022,1251 263.46,1252 389.535,1253 18496,1255 15.811,1256 0.687,1257 0.593,1258 16.165,1259 13.646,1260 11.242,1261 0.432,1262 0.312,1263 7.275,1264 10.453,1265 6.952,1266 5.809,1267 11.65,1268 8.11,1269 10.127,1270 0.274,1271 0.173,1272 10.743,1273 6.407,1274 8.891,1275 0.174,1276 0.097,1277 9.732,1278 4.923,1279 7.518,1280 0.107,1281 0.052,1282 8.529,1283 3.674,1284 6.568,1285 0.07,1286 0.029,1287 7.572,1288 2.683,1289 0.326,1290 73.963,1291 0.237,1292 22.349,1293 0.599,1294 126,1295 344.219,1296 160.108,1297 359.47,1298 507.18,1299 340,1300 151,1301 369.471,1302 185.541,1303 395.682,1304 581.16,1305 371,1306 5} {0 CHEMBL2313906,1 1.605,2 9.174,3 5.1,4 26.014,5 94.299,6 8.459,7 0.808,8 3.762,9 3.86,10 3.505,11 3.418,12 4.897,13 3.376,14 4.245,15 4.387,16 3.897,17 3.81,18 5.33,19 3.744,20 4.378,21 4.521,22 3.974,23 3.889,24 5.434,25 3.806,26 4.444,27 4.64,28 3.844,29 3.842,30 5.422,31 3.725,32 4.358,33 4.574,34 3.677,35 3.729,36 5.32,37 3.61,38 4.254,39 4.451,40 3.611,41 3.662,42 5.251,43 3.542,44 4.14,45 4.333,46 3.474,47 3.537,48 5.162,49 3.429,50 4.012,51 4.188,52 3.159,53 3.407,54 5.007,55 3.282,56 0.01,57 0.538,58 6.607,59 3.353,60 6.171,61 3.909,62 0.148,63 0.888,64 13.489,65 5.909,66 15.542,67 6.721,68 0.119,69 1.046,70 17.024,71 6.642,72 13.767,73 7.656,74 0.149,75 1.095,76 20.683,77 8.051,78 17.744,79 9.467,80 0.138,81 1.014,82 19.124,83 7.125,84 18.263,85 8.47,86 0.16,87 0.922,88 19.656,89 7.025,90 17.13,91 7.934,92 0.205,93 0.794,94 13.689,95 5.325,96 17.135,97 6.433,98 0.101,99 0.688,100 13.842,101 5.266,102 13.202,103 5.896,104 6,105 37,106 0.282,107 0.631,108 0.788,109 0.879,110 0.879,111 0.879,112 3.189,113 0.936,114 -4.89,115 -4.8,116 -4.5,119 47.4,120 1,123 1,133 7,134 2,135 2,137 1,138 1,139 1,143 2,159 7,161 1,162 3,164 1,166 2,168 11,172 4,176 3,178 5,182 7,185 1,187 3,190 2,194 4,199 2,202 2,205 1,206 5,211 1,213 4,216 1,217 2,220 1,224 8,229 2,237 8,242 2,250 6,255 684,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 16.226,263 9.304,264 16.42,265 12.813,266 12.813,267 12.813,268 12.813,269 12.813,270 9.105,271 25.539,272 4.376,273 13.597,274 3.643,275 1.662,276 0.767,277 0.25,278 0.25,279 0.25,280 3.892,284 1,285 464,286 2.449,288 32.073,289 154.107,291 131.068,295 1.501,296 12.05,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 48.5,307 211,308 4.753,309 3.297,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.124,318 2.902,319 6.036,320 3.701,321 2.738,322 3.77,323 0.4,324 8.678,325 2.644,326 3.98,327 2.754,328 5.526,329 3.518,330 2.552,331 3.61,333 7.437,334 2.449,335 3.628,336 2.486,337 5.342,338 3.204,339 2.259,340 3.045,342 6.771,343 2.126,344 3.305,345 2.104,346 4.997,347 2.888,348 1.921,349 2.657,351 5.57,352 1.855,353 3.245,354 1.836,355 4.757,356 2.692,357 1.793,358 2.517,360 5.222,361 1.591,362 2.896,363 1.492,364 4.414,365 2.344,366 1.429,367 2.082,369 4.051,370 1.298,371 2.775,372 1.322,373 3.841,374 2.245,375 1.302,376 1.901,378 3.094,379 1.22,380 2.654,381 1.214,382 3.483,383 2.169,384 1.177,385 1.727,386 2.594,387 1.165,388 2.038,389 1.034,390 3.266,391 1.529,392 0.639,393 0.857,394 1.519,395 0.559,396 1.609,397 0.597,398 2.885,399 1.266,400 0.404,401 0.477,402 0.672,403 0.344,404 1.303,405 0.092,406 2.819,407 0.889,408 -0.031,409 -0.041,411 -0.081,412 -0.029,413 0.947,414 -0.132,415 2.403,416 0.588,417 -0.405,418 -0.512,420 -0.902,421 -0.4,422 0.813,423 -0.319,424 2.253,425 0.372,426 -0.563,427 -0.742,429 -1.366,430 -0.521,431 0.795,432 -0.578,433 2.232,434 0.248,435 -0.687,436 -0.974,438 -1.921,439 -0.621,440 11.367,441 0.494,442 0.516,443 0.022,444 34,445 1.478,446 19,447 0.826,448 15,449 0.652,450 16.035,451 0.697,452 22.833,453 0.601,454 21.537,455 0.936,456 6.605,457 0.287,458 4.636,459 0.202,460 0.088,462 0.352,466 0.89,467 1.089,468 0.696,469 0.85,470 0.876,471 0.805,472 1.144,473 0.795,474 0.778,475 0.711,476 0.916,477 0.706,478 1.039,479 1.292,480 1.023,481 1.146,482 1.025,483 1.024,484 0.812,485 1.154,486 1.035,487 1.12,488 0.833,489 1.03,490 0.985,491 0.994,492 1.054,493 0.958,494 1.009,495 0.927,496 0.837,497 1.112,498 1.376,499 1.223,500 0.831,501 0.994,502 0.918,503 0.873,504 1.02,505 0.928,506 1.002,507 1.003,508 1.212,509 1.205,510 1.536,511 1.401,512 1.275,513 1.316,514 4.5,515 0.061,516 2.222,517 1.889,518 1.204,519 0.553,520 0.551,521 0.228,522 0.21,523 0.076,524 5650,525 14640,526 2.168,527 39.5,528 3,529 10,531 1,532 1,536 1.659,537 2.06,538 3.195,539 -0.326,545 61.004,546 1.605,547 3.586,548 4.481,549 4.998,550 4.998,551 4.998,552 2.674,553 4.176,554 4.493,555 3.312,556 837.844,557 7.746,558 9241.33,563 199.421,564 1.302,565 4.469,566 0.173,567 0.008,568 0.06,569 0.051,570 0.038,571 0.02,572 0.02,573 0.01,574 0.012,575 0.007,576 0.398,577 0.33,578 1,579 0.7,580 106.281,581 -0.037,582 -0.082,583 0.068,584 0.017,585 -0.085,586 0.027,587 -0.011,588 0.223,589 0.141,590 0.234,591 0.062,592 0.18,593 -0.049,594 -0.258,595 -0.003,596 -0.148,597 -0.128,598 -0.127,599 0.066,600 -0.149,601 0.031,602 -0.095,603 0.058,604 -0.057,605 -0.1,606 0.041,607 -0.003,608 0.045,609 -0.044,610 0.048,611 0.047,612 -0.059,613 -0.14,614 -0.099,615 0.122,616 -0.006,617 0.119,618 0.15,619 -0.09,620 0.004,621 0.06,622 -0.075,623 -0.253,624 -0.221,625 -0.492,626 -0.378,627 -0.291,628 -0.364,629 0.833,630 1.812,631 0.826,632 18.053,633 1,634 1.108,635 3.659,636 13.391,637 0.729,638 3.296,639 3.638,640 3.951,641 4.277,642 4.543,643 4.673,644 4.852,645 5.024,646 5.03,647 5.1,648 5.42,649 0.688,650 321.43,651 3.296,652 4.844,653 5.714,654 6.611,655 7.501,656 8.407,657 9.307,658 10.219,659 11.124,660 12.04,661 7.9,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 1,699 38,700 21,701 2,702 26,704 41,705 18,706 16,707 5,708 7,710 4,711 7,715 1,721 16,722 2,736 15,737 4,738 1,739 5,740 1,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 23,790 1,791 1,797 1,801 2.6,806 1,808 11.167,809 7.65,810 5.028,811 2.15,812 4.282,813 1.569,814 1.044,815 3.62,816 11.814,817 3.624,818 4.327,819 5.022,820 5.731,821 6.369,822 6.809,823 7.337,824 7.862,825 8.144,826 8.534,827 1,828 37,829 8.439,831 3.566,832 7.551,833 16.328,835 13.456,837 2.051,838 47.167,842 164.795,843 145.661,844 51.582,846 11,848 31.278,849 114.383,850 175.795,851 51.582,852 19.708,854 66.334,855 45.342,856 53.532,857 3.82,858 184.302,860 164.795,861 165.965,862 11,863 31.278,865 164.795,866 11,869 37.599,870 94.795,871 33.571,872 31.278,873 164.795,874 62.582,875 145.661,878 164.795,879 51,880 94.661,881 18.011,882 44.571,883 164.795,884 62.582,885 145.661,887 0.58,888 0.345,889 0.195,890 0.11,891 20,892 8,893 0.073,894 3,895 2,896 1.211,897 3.548,898 193.597,899 0.211,900 19,901 102.042,902 1,904 14.401,905 5.782,906 2.636,907 4.294,908 62.582,909 15.912,910 8.89,913 1.674,914 3.924,916 18.011,917 373.038,918 36.5,926 38.011,927 42.116,928 0.306,929 0.683,930 0.854,931 0.952,932 0.952,933 0.952,934 4.846,935 1.302,936 5.7,937 4.051,938 4.317,939 5.014,940 1.029,941 6.535,942 4.204,943 6.086,944 1.177,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.734,952 7.417,953 0.639,954 8.93,955 2.594,956 5.927,957 7.37,958 0.763,959 10.592,960 5.714,961 8.787,962 0.404,963 10.654,964 1.519,965 6.33,966 8.132,968 12.382,969 6.053,970 10.191,971 -0.031,972 12.418,973 0.672,974 7.831,975 10.051,976 0.597,977 15.043,978 7.513,979 11.62,980 -0.405,981 14.21,982 -0.081,983 8.636,984 11.242,986 17.212,987 8.242,988 13.07,989 -0.563,990 16.025,991 -0.902,992 9.922,993 12.942,994 0.47,995 19.719,996 9.485,997 3.269,998 -0.687,999 17.858,1000 -1.366,1001 10.922,1002 14.343,1004 22.047,1005 10.406,1006 2.738,1007 11.485,1008 19.706,1009 -1.921,1010 12.126,1011 15.958,1012 0.367,1013 24.504,1014 11.56,1015 2.552,1016 8.678,1017 21.566,1018 4.851,1019 13.218,1020 17.455,1022 26.897,1023 12.576,1024 2.259,1025 7.437,1026 23.437,1027 3.77,1028 14.395,1029 19.041,1030 0.283,1031 29.34,1032 13.696,1033 1.921,1034 6.771,1035 25.316,1036 3.61,1037 15.531,1038 20.582,1040 31.76,1041 14.759,1042 1.793,1043 5.57,1044 27.202,1045 3.045,1046 16.702,1047 22.159,1048 0.217,1049 34.2,1050 15.868,1051 1.429,1052 5.222,1053 29.095,1054 2.657,1055 17.859,1056 23.72,1058 36.631,1059 16.955,1060 5354,1061 8765,1062 17.8,1063 27.688,1064 39.129,1065 39.368,1066 40.209,1067 38.882,1068 38.969,1069 54.99,1070 2.52,1071 114.186,1072 36.641,1073 5.514,1074 5.297,1075 6.422,1076 5.34,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.07,1082 8.756,1083 1.505,1084 1.514,1085 1.547,1086 1.495,1087 1.499,1088 2.115,1089 0.097,1090 4.392,1091 1.409,1092 4.163,1093 4.174,1094 4.399,1095 4.167,1096 5.102,1097 4.123,1098 3.914,1099 3.946,1100 3.855,1101 3.852,1102 4.808,1103 3.847,1104 3.659,1105 3.697,1106 3.619,1107 3.524,1108 4.738,1109 3.536,1110 3.269,1111 3.331,1112 3.362,1113 3.066,1114 4.388,1115 3.059,1116 3.185,1117 3.269,1118 3.104,1119 3.014,1120 4.092,1121 2.99,1122 3.025,1123 3.087,1124 2.989,1125 2.947,1126 3.868,1127 2.906,1128 2.99,1129 3.047,1130 2.842,1131 2.811,1132 3.848,1133 2.808,1134 2.825,1135 2.889,1136 2.679,1137 2.686,1138 3.687,1139 2.674,1140 0.183,1141 0.127,1142 0.264,1143 0.162,1144 0.126,1145 4.753,1146 0.187,1147 3.297,1148 0.033,1149 6.864,1150 0.442,1151 4.209,1152 0.118,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.947,1159 1.926,1160 2.042,1161 2.051,1162 1.157,1163 2.044,1164 1.912,1165 1.889,1166 1.995,1167 1.989,1168 1.134,1169 1.998,1170 1.732,1171 1.716,1172 1.731,1173 1.843,1174 0.902,1175 1.843,1176 1.226,1177 1.162,1178 1.563,1179 1.509,1180 0.604,1181 1.529,1182 1.198,1183 1.129,1184 1.534,1185 1.426,1186 0.577,1187 1.469,1188 0.993,1189 0.958,1190 1.193,1191 1.205,1192 0.253,1193 1.209,1194 0.968,1195 0.899,1196 1.127,1197 1.084,1198 0.243,1199 1.141,1200 0.809,1201 0.755,1202 0.974,1203 0.951,1204 0.112,1205 0.971,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.472,1213 7.066,1214 10.151,1216 3.755,1223 3.405,1224 5.312,1231 26.127,1232 61.004,1233 136.26,1234 170.26,1235 189.911,1236 189.911,1237 189.911,1238 23.939,1239 7.532,1240 47.04,1241 75.28,1242 23,1243 12.553,1244 4.459,1245 3.524,1246 31.802,1247 74,1248 78,1249 0.215,1250 163.022,1251 263.46,1252 389.535,1253 18496,1255 15.811,1256 0.687,1257 0.593,1258 16.165,1259 13.646,1260 11.242,1261 0.432,1262 0.312,1263 7.275,1264 10.453,1265 6.952,1266 5.81,1267 11.65,1268 8.11,1269 10.139,1270 0.274,1271 0.173,1272 10.755,1273 6.411,1274 8.801,1275 0.173,1276 0.096,1277 9.641,1278 4.889,1279 7.727,1280 0.109,1281 0.053,1282 8.738,1283 3.76,1284 6.416,1285 0.069,1286 0.028,1287 7.42,1288 2.634,1289 0.329,1290 73.963,1291 0.237,1292 22.274,1293 0.612,1294 126,1295 344.219,1296 160.108,1297 359.535,1298 507.2,1299 340,1300 151,1301 369.471,1302 185.541,1303 395.817,1304 581.39,1305 371,1306 5.215} {0 CHEMBL2313907,1 1.685,2 10.458,3 4.598,4 21.14,5 95.721,6 8.652,7 0.778,8 3.8,9 3.89,10 3.554,11 3.415,12 4.966,13 3.39,14 4.281,15 4.413,16 3.932,17 3.794,18 5.399,19 3.749,20 4.383,21 4.514,22 4.02,23 3.875,24 5.481,25 3.817,26 4.438,27 4.605,28 3.876,29 3.858,30 5.47,31 3.756,32 4.425,33 4.648,34 3.715,35 3.767,36 5.378,37 3.64,38 4.279,39 4.471,40 3.626,41 3.655,42 5.289,43 3.543,44 4.136,45 4.322,46 3.451,47 3.48,48 5.194,49 3.393,50 4.01,51 4.197,52 3.32,53 3.319,54 5.048,55 3.261,56 0.039,57 0.558,58 6.47,59 3.499,60 6.051,61 3.816,62 0.253,63 0.903,64 13.91,65 6.042,66 19.599,67 6.263,68 0.205,69 1.042,70 16.638,71 6.546,72 14.793,73 7.016,74 0.221,75 1.082,76 18.857,77 7.678,78 18.076,79 8.464,80 0.224,81 1.05,82 20.769,83 7.966,84 20.674,85 9.779,86 0.228,87 0.938,88 19.879,89 7.013,90 18.066,91 7.699,92 0.275,93 0.779,94 13.986,95 5.297,96 17.99,97 6.232,98 0.168,99 0.655,100 11.328,101 4.45,102 14.397,103 5.194,104 9,105 38,106 0.295,107 0.615,108 0.71,109 0.789,110 0.81,111 0.819,112 3.229,113 0.914,114 -4.37,115 -4.3,116 -4.06,119 46.2,123 2,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 5,164 1,166 2,168 7,172 6,176 3,178 4,182 7,185 1,187 1,190 1,194 4,197 1,199 2,202 2,205 1,206 3,211 1,213 4,216 2,217 2,220 1,224 6,229 1,237 6,241 1,242 3,250 2,255 788,256 16.773,257 16.773,258 16.773,259 16.773,260 16.773,261 14.395,262 18.113,263 9.769,264 17.469,265 13.224,266 13.224,267 13.224,268 13.224,269 13.224,270 9.522,271 26.802,272 4.5,273 14.2,274 3.6,275 1.773,276 1.229,277 0.776,278 0.654,279 0.603,280 3.932,284 1,285 551,286 2.646,288 35.093,289 166.701,291 143.072,295 1.58,296 14.569,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 51.5,307 251,308 4.753,309 3.297,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.117,318 2.92,319 6.035,320 3.686,321 2.731,322 3.765,323 0.86,324 8.666,325 2.605,326 3.983,327 2.822,328 5.505,329 3.518,330 2.565,331 3.604,332 0.4,333 7.358,334 2.433,335 3.648,336 2.613,337 5.359,338 3.235,339 2.301,340 3.057,342 6.843,343 2.141,344 3.418,345 2.254,346 5.117,347 3.002,348 2.061,349 2.722,351 6.183,352 1.93,353 3.281,354 1.849,355 4.956,356 2.698,357 1.805,358 2.645,360 5.454,361 1.595,362 2.898,363 1.503,364 4.444,365 2.342,366 1.432,367 2.084,369 4.101,370 1.292,371 2.772,372 1.322,373 3.841,374 2.239,375 1.3,376 1.897,378 3.094,379 1.213,380 2.5,381 1.132,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.054,389 1.027,390 3.282,391 1.578,392 0.689,393 0.892,394 1.592,395 0.603,396 1.737,397 1,398 2.972,399 1.42,400 0.549,401 0.632,402 0.93,403 0.473,404 1.598,405 0.607,406 2.829,407 1.247,408 0.389,409 0.463,411 0.641,412 0.33,413 1.261,414 0.183,415 2.605,416 0.877,417 -0.028,418 -0.035,420 -0.059,421 -0.025,422 0.883,423 -0.228,424 2.402,425 0.439,426 -0.479,427 -0.624,429 -1.007,430 -0.434,431 0.803,432 -0.408,433 2.249,434 0.265,435 -0.671,436 -0.907,438 -1.665,439 -0.609,440 11.7,441 0.488,442 0.478,443 0.02,444 35.5,445 1.479,446 19.5,447 0.813,448 16,449 0.667,450 16.25,451 0.677,452 24.3,453 0.623,454 23.314,455 0.971,456 7.049,457 0.294,458 4.73,459 0.197,460 0.085,462 0.342,466 0.904,467 1.148,468 0.684,469 0.901,470 0.852,471 0.823,472 1.334,473 0.767,474 0.816,475 0.671,476 1.091,477 0.663,478 1.113,479 1.256,480 1.016,481 1.093,482 0.987,483 0.952,484 0.885,485 1.195,486 1.151,487 1.192,488 0.999,489 1.144,490 0.556,491 0.996,492 0.95,493 0.969,494 0.716,495 0.941,496 0.83,497 1.131,498 1.412,499 1.24,500 0.884,501 1.037,502 0.758,503 0.941,504 1.084,505 1.033,506 0.785,507 1.055,508 1.133,509 1.01,510 0.794,511 0.934,512 1.183,513 1.001,514 4.5,515 0.078,516 2.444,517 1.639,518 1.324,519 0.615,520 0.55,521 0.293,522 0.165,523 0.151,524 6495,525 18457,526 2.161,527 38.5,529 13,531 1,532 1,536 1.669,537 2.057,538 3.34,539 -0.301,545 65.714,546 1.685,547 3.512,548 4.057,549 4.509,550 4.631,551 4.683,552 2.872,553 3.554,554 4.551,555 3.447,556 951.501,557 7.855,558 10918.6,560 1,563 206.131,564 1.281,565 4.532,566 0.167,567 0.007,568 0.064,569 0.042,570 0.04,571 0.021,572 0.02,573 0.013,574 0.008,575 0.01,576 0.393,577 0.17,578 1,579 0.789,580 113.499,581 -0.056,582 -0.125,583 0.068,584 -0.017,585 -0.074,586 0.01,587 -0.143,588 0.26,589 0.109,590 0.287,591 -0.056,592 0.215,593 -0.124,594 -0.204,595 0.004,596 -0.078,597 -0.088,598 -0.061,599 -0.061,600 -0.169,601 -0.119,602 -0.172,603 -0.156,604 -0.197,605 0.094,606 -0.008,607 0.099,608 0.053,609 0.123,610 0.095,611 -0.025,612 -0.064,613 -0.185,614 -0.115,615 0.013,616 -0.043,617 0.18,618 0.088,619 -0.143,620 -0.094,621 0.172,622 -0.118,623 -0.098,624 -0.052,625 -0.011,626 -0.089,627 -0.127,628 -0.069,629 0.87,630 1.809,631 0.792,632 20.708,633 1.009,634 1.111,635 3.14,636 9.858,637 0.722,638 3.332,639 3.664,640 3.989,641 4.29,642 4.575,643 4.7,644 4.883,645 5.05,646 5.063,647 5.142,648 5.846,649 0.688,650 337.43,651 3.332,652 4.875,653 5.746,654 6.637,655 7.529,656 8.43,657 9.331,658 10.238,659 11.145,660 12.056,661 7.7,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 2,699 39,700 21,701 2,702 27,704 42,705 18,706 16,707 5,708 7,710 4,711 7,721 16,722 2,733 1,736 15,737 5,738 1,739 6,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,779 1,781 2,785 24,790 1,791 2,797 1,801 5.1,806 2,808 11.667,809 7.817,810 5.361,811 2.108,812 4.293,813 1.563,814 1.029,815 4.044,816 11.921,817 3.651,818 4.341,819 5.042,820 5.738,821 6.389,822 6.822,823 7.351,824 7.87,825 8.154,826 8.548,827 1,828 39,829 8.789,831 3.689,832 7.611,833 16.863,835 13.701,837 2.111,838 50.667,842 164.795,843 149.776,844 51.582,846 22,848 31.278,849 118.499,850 186.795,851 51.582,852 21.766,854 66.334,855 45.342,856 66.59,857 3.82,858 184.302,860 164.795,861 170.08,862 22,863 31.278,865 164.795,866 22,869 28.773,870 107.736,871 33.571,872 31.278,873 164.795,874 73.582,875 149.776,878 164.795,879 53.058,880 96.718,881 18.011,882 55.571,883 164.795,884 73.582,885 149.776,887 0.576,888 0.351,889 0.192,890 0.109,891 20,892 8,893 0.095,894 4,895 2,896 1.211,897 3.66,898 202.801,899 0.211,900 19,901 106.039,902 1,904 15.303,905 6.342,906 2.845,907 4.207,908 73.582,909 15.354,910 8.861,913 1.653,914 3.408,916 18.011,917 388.153,918 37.5,926 39.338,927 43.325,928 0.319,929 0.664,930 0.768,931 0.853,932 0.876,933 0.886,934 4.869,935 1.3,936 5.727,937 4.101,938 4.344,939 5.027,940 1.454,941 6.558,942 4.211,943 6.102,944 1,945 7.292,946 3.094,947 3.892,948 4.913,950 7.486,951 3.705,952 7.43,953 0.689,954 8.956,955 2.275,956 5.953,957 7.379,958 1.175,959 10.607,960 5.71,961 8.8,962 0.549,963 10.679,964 1.592,965 6.347,966 8.139,968 12.399,969 6.034,970 10.204,971 0.389,972 12.441,973 0.93,974 7.853,975 10.056,976 0.966,977 15.05,978 7.5,979 11.632,980 -0.028,981 14.232,982 0.641,983 8.65,984 11.245,986 17.218,987 8.219,988 13.082,989 -0.479,990 16.045,991 -0.059,992 9.936,993 12.944,994 0.788,995 19.72,996 9.465,997 3.269,998 -0.671,999 17.875,1000 -1.007,1001 10.931,1002 14.343,1004 22.048,1005 10.381,1006 2.731,1007 11.485,1008 19.72,1009 -1.665,1010 12.134,1011 15.958,1012 0.634,1013 24.504,1014 11.536,1015 2.565,1016 8.666,1017 21.578,1018 4.851,1019 13.223,1020 17.455,1022 26.897,1023 12.55,1024 2.301,1025 7.358,1026 23.446,1027 3.765,1028 14.399,1029 19.04,1030 0.504,1031 29.34,1032 13.672,1033 2.061,1034 6.843,1035 25.324,1036 3.604,1037 15.533,1038 20.581,1040 31.759,1041 14.734,1042 1.805,1043 6.183,1044 27.208,1045 3.057,1046 16.703,1047 22.158,1048 0.395,1049 34.199,1050 15.845,1051 1.432,1052 5.454,1053 29.1,1054 2.722,1055 17.86,1056 23.719,1058 36.63,1059 16.933,1060 6179,1061 10547,1062 18.493,1063 28.142,1064 40.185,1065 40.974,1066 41.683,1067 40.123,1068 40.187,1069 56.224,1070 4.24,1071 117.241,1072 37.368,1073 5.518,1074 5.297,1075 6.417,1076 5.34,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.07,1082 9.248,1083 1.488,1084 1.518,1085 1.544,1086 1.486,1087 1.488,1088 2.082,1089 0.157,1090 4.342,1091 1.384,1092 4.163,1093 4.173,1094 4.399,1095 4.167,1096 5.103,1097 4.123,1098 3.902,1099 3.927,1100 3.85,1101 3.821,1102 4.869,1103 3.822,1104 3.658,1105 3.695,1106 3.619,1107 3.521,1108 4.794,1109 3.534,1110 3.289,1111 3.345,1112 3.363,1113 3.048,1114 4.432,1115 3.053,1116 3.234,1117 3.302,1118 3.145,1119 2.987,1120 4.365,1121 2.98,1122 3.021,1123 3.068,1124 3.032,1125 2.938,1126 3.994,1127 2.902,1128 2.959,1129 3.039,1130 2.791,1131 2.745,1132 3.849,1133 2.739,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.674,1139 2.715,1140 0.176,1141 0.122,1142 0.254,1143 0.156,1144 0.121,1145 4.753,1146 0.18,1147 3.297,1148 0.032,1149 6.864,1150 0.425,1151 4.209,1152 0.114,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.942,1159 1.924,1160 2.01,1161 2.047,1162 1.154,1163 2.034,1164 1.888,1165 1.866,1166 1.979,1167 1.981,1168 1.073,1169 1.985,1170 1.724,1171 1.71,1172 1.723,1173 1.839,1174 0.89,1175 1.835,1176 1.218,1177 1.161,1178 1.571,1179 1.527,1180 0.578,1181 1.539,1182 1.193,1183 1.126,1184 1.554,1185 1.495,1186 0.573,1187 1.52,1188 0.992,1189 0.957,1190 1.181,1191 1.18,1192 0.251,1193 1.177,1194 0.921,1195 0.846,1196 1.127,1197 1.083,1198 0.218,1199 1.137,1200 0.886,1201 0.821,1202 1.121,1203 1.062,1204 0.199,1205 1.107,1206 4.007,1208 5.333,1209 2.398,1210 6.868,1211 4.844,1212 8.496,1213 7.066,1214 10.173,1216 3.326,1223 3.36,1224 10.497,1231 26.842,1232 65.714,1233 136.969,1234 158.215,1235 175.866,1236 180.621,1237 182.621,1238 25.645,1239 7.629,1240 56.27,1241 84.51,1242 23,1243 12.572,1244 4.459,1245 3.524,1246 33.904,1247 83,1248 98,1249 0.203,1250 167.019,1251 272.25,1252 399.286,1253 21019,1255 16.518,1256 0.688,1257 0.586,1258 16.872,1259 14.054,1260 11.78,1261 0.436,1262 0.305,1263 7.345,1264 10.834,1265 7.051,1266 5.877,1267 12.188,1268 8.223,1269 10.296,1270 0.271,1271 0.165,1272 10.912,1273 6.27,1274 9.3,1275 0.175,1276 0.094,1277 10.14,1278 4.961,1279 7.828,1280 0.109,1281 0.052,1282 8.84,1283 3.711,1284 6.665,1285 0.069,1286 0.028,1287 7.67,1288 2.645,1289 0.315,1290 78.307,1291 0.233,1292 23.301,1293 0.567,1294 130,1295 391.955,1296 166.986,1297 396.914,1298 554.98,1299 376,1300 156,1301 400.017,1302 193.199,1303 424.501,1304 622.48,1305 397,1306 5.149} {0 CHEMBL2313908,1 1.712,2 10.615,3 4.581,4 20.989,5 102.184,6 8.546,7 0.724,8 3.897,9 3.984,10 3.632,11 3.469,12 5.069,13 3.454,14 4.389,15 4.525,16 4.004,17 3.84,18 5.499,19 3.81,20 4.461,21 4.574,22 4.13,23 3.942,24 5.599,25 3.904,26 4.566,27 4.715,28 4.029,29 3.965,30 5.64,31 3.886,32 4.623,33 4.827,34 3.849,35 3.906,36 5.603,37 3.796,38 4.503,39 4.708,40 3.749,41 3.809,42 5.496,43 3.691,44 4.407,45 4.636,46 3.686,47 3.629,48 5.397,49 3.549,50 4.189,51 4.353,52 3.609,53 3.507,54 5.286,55 3.466,56 0.064,57 0.617,58 7.421,59 3.993,60 6.944,61 4.307,62 0.366,63 0.98,64 16.602,65 6.775,66 24.515,67 6.933,68 0.333,69 1.115,70 17.675,71 6.998,72 17.607,73 7.504,74 0.317,75 1.201,76 20.744,77 8.588,78 21.067,79 9.43,80 0.433,81 1.22,82 24.745,83 9.196,84 30.989,85 10.679,86 0.346,87 1.141,88 24.077,89 8.468,90 25.052,91 9.857,92 0.39,93 0.97,94 20.774,95 7.175,96 25.674,97 9.023,98 0.281,99 0.784,100 13.584,101 5.177,102 19.553,103 5.765,104 19,105 41,106 0.294,107 0.605,108 0.702,109 0.783,110 0.81,111 0.851,112 3.305,113 0.905,114 -3.83,115 -3.79,116 -3.6,119 44.2,123 3,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 5,164 1,166 2,168 6,171 1,172 7,176 2,178 3,182 8,185 2,187 1,190 1,194 3,197 1,199 2,202 2,205 2,206 3,211 1,213 3,216 2,217 2,220 1,224 5,228 1,229 2,237 4,241 1,242 5,250 1,255 982,256 18.143,257 18.143,258 18.143,259 18.143,260 18.143,261 15.765,262 21.033,263 10.479,264 19.004,265 14.14,266 14.14,267 14.14,268 14.14,269 14.14,270 10.339,271 31.796,272 4.714,273 15.284,274 3.714,275 1.906,276 1.338,277 0.867,278 0.71,279 0.471,280 4.005,284 1,285 599,286 2.915,288 39.318,289 186.418,291 159.767,295 1.615,296 18.513,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 56.5,307 276,308 4.753,309 3.301,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.273,318 3.197,319 6.172,320 3.854,321 2.906,322 3.921,323 0.86,324 9.159,325 2.751,326 4.061,327 2.862,328 6.024,329 3.596,330 2.653,331 3.724,332 0.86,333 8.604,334 2.491,335 3.677,336 2.627,337 5.425,338 3.277,339 2.34,340 3.08,341 0.4,342 7.044,343 2.185,344 3.46,345 2.262,346 5.212,347 3.029,348 2.082,349 2.794,351 6.393,352 1.962,353 3.282,354 2.158,355 4.967,356 2.698,357 1.805,358 2.649,360 5.461,361 1.595,362 2.919,363 1.846,364 4.459,365 2.521,366 1.609,367 2.084,369 4.185,370 1.461,371 2.898,372 1.498,373 4.353,374 2.341,375 1.431,376 2.057,378 4.04,379 1.291,380 2.772,381 1.32,382 3.841,383 2.239,384 1.299,385 1.897,386 3.094,387 1.213,388 2.062,389 1.108,390 3.29,391 1.644,392 0.746,393 0.923,394 1.623,395 0.662,396 1.91,397 1.026,398 3.075,399 1.506,400 0.62,401 0.786,402 1.241,403 0.541,404 1.609,405 0.935,406 2.883,407 1.275,408 0.414,409 0.481,411 0.676,412 0.353,413 1.483,414 0.607,415 2.823,416 1.194,417 0.345,418 0.384,420 0.486,421 0.29,422 1.26,423 0.204,424 2.509,425 0.877,426 -0.028,427 -0.035,429 -0.06,430 -0.025,431 0.886,432 -0.113,433 2.403,434 0.453,435 -0.459,436 -0.58,438 -0.912,439 -0.411,440 12.533,441 0.482,442 0.53,443 0.02,444 37.5,445 1.442,446 20,447 0.769,448 17.5,449 0.673,450 18.916,451 0.728,452 27.067,453 0.629,454 26.254,455 1.01,456 7.549,457 0.29,458 5.179,459 0.199,460 0.12,462 0.359,466 0.914,467 1.218,468 0.69,469 0.972,470 0.853,471 0.868,472 1.417,473 0.714,474 0.808,475 0.608,476 1.179,477 0.59,478 1,479 1.27,480 0.978,481 1.096,482 0.9,483 0.936,484 0.896,485 1.235,486 1.112,487 1.218,488 0.925,489 1.157,490 1.017,491 1.005,492 1.07,493 0.955,494 1.087,495 1.001,496 0.692,497 1.136,498 1.316,499 1.226,500 0.811,501 1.108,502 0.643,503 0.827,504 0.745,505 0.84,506 0.63,507 0.805,508 1.181,509 0.982,510 0.872,511 0.926,512 1.237,513 0.957,514 5,515 0.115,516 2.889,517 2.076,518 1.555,519 0.733,520 0.631,521 0.315,522 0.278,523 0.207,524 7825,525 22943,526 2.124,527 39.5,529 15,531 1,532 1,536 1.691,537 2,538 3.381,539 -0.294,545 73.622,546 1.712,547 3.52,548 4.088,549 4.559,550 4.716,551 4.955,552 2.888,553 4.364,554 4.67,555 3.495,556 1135.99,557 8.097,558 13870.6,560 1,563 233.329,564 1.37,565 4.637,566 0.172,567 0.008,568 0.07,569 0.047,570 0.04,571 0.022,572 0.021,573 0.011,574 0.011,575 0.01,576 0.413,577 0.33,578 1,579 0.9,580 126.371,581 -0.063,582 -0.163,583 0.071,584 -0.049,585 -0.067,586 -0.007,587 -0.196,588 0.319,589 0.14,590 0.37,591 -0.102,592 0.307,593 -0.003,594 -0.188,595 0.024,596 -0.065,598 -0.048,599 -0.022,600 -0.196,601 -0.117,602 -0.199,603 -0.069,604 -0.22,605 -0.105,606 -0.02,607 -0.06,608 0.039,609 -0.128,610 -0.009,611 0.034,612 -0.077,613 -0.168,614 -0.145,615 0.02,616 -0.105,617 0.22,618 0.154,619 0.232,620 0.107,621 0.315,622 0.206,623 -0.085,624 0.038,625 -0.018,626 -0.037,627 -0.139,628 -0.056,629 1.01,630 1.867,631 0.731,632 22.331,633 1.013,634 1.115,635 2.6,636 6.76,637 0.706,638 3.401,639 3.738,640 4.078,641 4.382,642 4.644,643 4.771,644 4.956,645 5.124,646 5.159,647 5.263,648 6.089,649 0.676,650 367.46,651 3.401,652 4.949,653 5.826,654 6.723,655 7.618,656 8.523,657 9.426,658 10.335,659 11.242,660 12.154,661 7,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 3,699 43,700 21,701 2,702 29,704 46,705 19,706 16,707 6,708 6,710 4,711 7,721 16,722 3,733 1,736 17,737 6,738 1,739 7,740 1,743 3,747 0.5,748 3,755 1,759 1,760 3,762 2,777 2,779 1,781 3,785 26,790 1,791 3,797 1,801 7,806 3,808 13,809 8.9,810 5.889,811 2.268,812 4.336,813 1.556,814 1.007,815 4.72,816 12.136,817 3.701,818 4.391,819 5.098,820 5.79,821 6.426,822 6.864,823 7.386,824 7.9,825 8.198,826 8.609,827 1,828 44,829 9.521,831 3.969,832 7.647,833 18.172,835 14.593,837 2.147,838 55.833,841 1,842 188.338,843 156.427,844 51.582,846 33,848 31.278,849 125.149,850 221.337,851 51.582,852 32.649,854 56.857,855 45.342,856 82.833,857 3.82,858 207.844,860 188.338,861 176.731,862 33,863 31.278,865 188.338,866 33,869 28.773,870 114.386,871 33.571,872 31.278,873 188.338,874 84.581,875 156.427,878 188.338,879 58.301,880 98.125,881 18.011,882 66.571,883 188.338,884 84.581,885 156.427,887 0.574,888 0.36,889 0.203,890 0.111,891 21,892 9,893 0.109,894 5,895 2,896 1.211,897 3.765,898 227.228,899 0.211,900 19,901 120.211,902 1,904 17.157,905 7.154,906 3.151,907 4.106,908 84.581,909 13.214,910 8.885,913 1.631,914 3.773,916 18.011,917 429.346,918 39.5,926 43.549,927 47.95,928 0.316,929 0.649,930 0.753,931 0.84,932 0.869,933 0.913,934 4.929,935 1.431,936 5.814,937 4.185,938 4.419,939 5.078,940 1.751,941 6.663,942 4.276,943 6.165,944 1.299,945 7.393,946 4.04,947 4.007,948 5.007,950 7.627,951 3.817,952 7.5,953 0.746,954 9.071,955 3.094,956 6.047,957 7.437,958 1.466,959 10.745,960 5.791,961 8.877,962 0.62,963 10.806,964 1.623,965 6.479,966 8.225,968 12.545,969 6.157,970 10.287,971 0.414,972 12.578,973 1.241,974 7.967,975 10.119,976 1.234,977 15.186,978 7.6,979 11.721,980 0.345,981 14.377,982 0.676,983 8.79,984 11.319,986 17.343,987 8.349,988 13.175,989 -0.028,990 16.195,991 0.486,992 10.065,993 13.004,994 1.028,995 19.832,996 9.58,997 3.269,998 -0.459,999 18.029,1000 -0.06,1001 11.071,1002 14.404,1004 22.143,1005 10.511,1006 2.906,1007 11.485,1008 19.874,1009 -0.912,1010 12.266,1011 16.009,1012 0.845,1013 24.585,1014 11.657,1015 2.653,1016 9.159,1017 21.731,1018 4.851,1019 13.356,1020 17.502,1022 26.964,1023 12.676,1024 2.34,1025 8.604,1026 23.596,1027 3.921,1028 14.525,1029 19.08,1030 0.684,1031 29.396,1032 13.79,1033 2.082,1034 7.044,1035 25.468,1036 3.724,1037 15.655,1038 20.616,1040 31.805,1041 14.851,1042 1.805,1043 6.393,1044 27.347,1045 3.08,1046 16.817,1047 22.188,1048 0.546,1049 34.237,1050 15.956,1051 1.609,1052 5.461,1053 29.231,1054 2.794,1055 17.967,1056 23.744,1058 36.661,1059 17.039,1060 7510,1061 12994,1062 19.592,1063 30.358,1064 42.901,1065 44.15,1066 45.268,1067 42.919,1068 43.04,1069 59.261,1070 5.96,1071 126.984,1072 39.73,1073 5.524,1074 5.301,1075 6.418,1076 5.341,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.07,1082 11.765,1083 1.479,1084 1.522,1085 1.561,1086 1.48,1087 1.484,1088 2.043,1089 0.206,1090 4.379,1091 1.37,1092 4.164,1093 4.173,1094 4.399,1095 4.167,1096 5.106,1097 4.123,1098 3.915,1099 3.932,1100 3.876,1101 3.823,1102 4.926,1103 3.83,1104 3.661,1105 3.697,1106 3.623,1107 3.522,1108 4.797,1109 3.535,1110 3.296,1111 3.351,1112 3.365,1113 3.052,1114 4.496,1115 3.062,1116 3.247,1117 3.314,1118 3.16,1119 2.997,1120 4.414,1121 2.989,1122 3.233,1123 3.301,1124 3.051,1125 2.952,1126 4.341,1127 2.958,1128 3.02,1129 3.062,1130 3.032,1131 2.937,1132 3.969,1133 2.902,1134 2.948,1135 3.031,1136 2.782,1137 2.744,1138 3.849,1139 2.737,1140 0.164,1141 0.114,1142 0.237,1143 0.145,1144 0.113,1145 4.753,1146 0.167,1147 3.301,1148 0.03,1149 6.864,1150 0.396,1151 4.209,1152 0.106,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.942,1159 1.924,1160 2.005,1161 2.048,1162 1.154,1163 2.033,1164 1.884,1165 1.867,1166 1.963,1167 1.985,1168 1.075,1169 1.983,1170 1.724,1171 1.711,1172 1.722,1173 1.843,1174 0.89,1175 1.836,1176 1.222,1177 1.164,1178 1.576,1179 1.527,1180 0.579,1181 1.54,1182 1.195,1183 1.132,1184 1.569,1185 1.523,1186 0.575,1187 1.538,1188 1.191,1189 1.114,1190 1.55,1191 1.489,1192 0.572,1193 1.514,1194 0.992,1195 0.957,1196 1.142,1197 1.167,1198 0.251,1199 1.169,1200 0.916,1201 0.842,1202 1.127,1203 1.083,1204 0.204,1205 1.135,1206 4.078,1208 5.407,1209 2.398,1210 6.95,1211 4.844,1212 8.588,1213 7.066,1214 10.275,1216 4.895,1223 3.355,1224 15.973,1231 29.083,1232 73.622,1233 151.374,1234 175.781,1235 196.045,1236 202.8,1237 213.065,1238 30.747,1239 7.8,1240 65.5,1241 93.74,1242 23,1243 12.669,1244 4.459,1245 3.524,1246 38.039,1247 94,1248 98,1249 0.2,1250 180.607,1251 298.34,1252 432.442,1253 25925,1255 18.096,1256 0.696,1257 0.592,1258 18.449,1259 15.385,1260 12.728,1261 0.439,1262 0.302,1263 7.833,1264 11.634,1265 7.494,1266 6.264,1267 13.136,1268 8.752,1269 11.017,1270 0.269,1271 0.161,1272 11.633,1273 6.611,1274 10.053,1275 0.173,1276 0.091,1277 10.893,1278 5.255,1279 8.628,1280 0.109,1281 0.05,1282 9.64,1283 3.951,1284 7.19,1285 0.07,1286 0.027,1287 8.195,1288 2.79,1289 0.31,1290 85.114,1291 0.226,1292 24.867,1293 0.557,1294 140,1295 447.69,1296 179.865,1297 443.2,1298 615.99,1299 420,1300 169,1301 441.562,1302 209.632,1303 466.152,1304 684.15,1305 434,1306 6.032} {0 CHEMBL2313909,1 1.712,2 10.038,3 4.581,4 20.989,5 102.184,6 8.546,7 0.724,8 3.897,9 3.984,10 3.632,11 3.469,12 5.068,13 3.454,14 4.389,15 4.525,16 4.004,17 3.84,18 5.507,19 3.81,20 4.459,21 4.574,22 4.105,23 3.942,24 5.569,25 3.9,26 4.56,27 4.715,28 4.037,29 3.963,30 5.641,31 3.876,32 4.608,33 4.82,34 3.89,35 3.892,36 5.58,37 3.797,38 4.502,39 4.673,40 3.812,41 3.816,42 5.573,43 3.728,44 4.444,45 4.654,46 3.796,47 3.697,48 5.45,49 3.624,50 4.329,51 4.52,52 3.638,53 3.609,54 5.394,55 3.538,56 0.064,57 0.617,58 7.421,59 3.993,60 6.866,61 4.307,62 0.366,63 0.98,64 16.602,65 6.775,66 25.292,67 6.933,68 0.274,69 1.115,70 17.675,71 6.993,72 15.5,73 7.364,74 0.388,75 1.201,76 20.749,77 8.655,78 22.794,79 9.937,80 0.338,81 1.216,82 24.626,83 9.075,84 25.829,85 10.752,86 0.479,87 1.129,88 23.039,89 7.87,90 30.425,91 8.291,92 0.335,93 1.001,94 20.304,95 7.482,96 22.672,97 9.224,98 0.38,99 0.9,100 17.325,101 6.269,102 27.058,103 7.139,104 19,105 41,106 0.294,107 0.605,108 0.691,109 0.756,110 0.767,111 0.778,112 3.305,113 0.905,114 -3.83,115 -3.79,116 -3.6,119 44.2,123 3,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 2,161 1,162 7,164 1,166 2,168 8,172 4,176 1,178 2,181 1,182 9,185 3,187 2,190 1,194 2,199 2,202 2,205 3,206 4,211 1,213 2,216 1,217 2,220 1,224 5,228 2,229 3,237 3,242 6,250 2,255 978,256 18.091,257 18.091,258 18.091,259 18.091,260 18.091,261 15.74,262 22.427,263 10.494,264 18.965,265 14.168,266 14.168,267 14.168,268 14.168,269 14.168,270 10.367,271 36.026,272 4.781,273 15.323,274 3.714,275 1.906,276 1.402,277 1.024,278 0.96,279 0.896,280 4.005,284 1,285 565,286 2.915,288 38.49,289 184.023,291 156.384,295 1.583,296 18.541,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 56.5,307 261,308 4.753,309 3.299,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.217,318 3.072,319 6.043,320 3.796,321 2.84,322 3.864,323 0.86,324 8.753,325 2.71,326 4.044,327 2.845,328 5.769,329 3.569,330 2.624,331 3.708,332 0.86,333 8.168,334 2.47,335 3.645,336 2.58,337 5.388,338 3.228,339 2.294,340 3.056,341 0.4,342 6.911,343 2.137,344 3.355,345 2.555,346 5.061,347 2.972,348 2.061,349 2.661,351 5.937,352 1.867,353 3.329,354 2.17,355 4.969,356 2.912,357 1.97,358 2.604,360 5.818,361 1.847,362 3.263,363 1.838,364 4.917,365 2.69,366 1.796,367 2.562,369 5.415,370 1.588,371 2.893,372 1.489,373 4.43,374 2.332,375 1.423,376 2.079,378 4.061,379 1.284,380 2.766,381 1.316,382 3.841,383 2.235,384 1.293,385 1.887,386 3.093,387 1.211,388 2.039,389 1.103,390 3.276,391 1.532,392 0.644,393 0.861,394 1.532,395 0.562,396 1.61,397 1.029,398 2.933,399 1.33,400 0.484,401 0.525,402 0.695,403 0.406,404 1.592,405 0.916,406 2.842,407 1.27,408 0.401,409 0.475,411 0.661,412 0.342,413 1.576,414 0.596,415 2.827,416 1.264,417 0.396,418 0.452,420 0.602,421 0.342,422 1.301,423 0.091,424 2.761,425 0.889,426 -0.031,427 -0.041,429 -0.084,430 -0.029,431 0.869,432 -0.311,433 2.404,434 0.403,435 -0.528,436 -0.708,438 -1.303,439 -0.486,440 12.533,441 0.482,442 0.547,443 0.021,444 37.5,445 1.442,446 20,447 0.769,448 17.5,449 0.673,450 18.971,451 0.73,452 27.067,453 0.629,454 26.325,455 1.012,456 7.534,457 0.29,458 5.178,459 0.199,460 0.12,462 0.359,466 0.914,467 1.218,468 0.69,469 0.972,470 0.857,471 0.868,472 1.417,473 0.714,474 0.808,475 0.608,476 1.133,477 0.59,478 1.169,479 1.27,480 1.036,481 1.097,482 1.108,483 0.957,484 0.558,485 1.234,486 1.041,487 1.225,488 0.705,489 1.16,490 0.913,491 1.032,492 0.956,493 0.941,494 0.885,495 0.911,496 1.166,497 1.07,498 1.483,499 1.188,500 1.174,501 1.113,502 0.663,503 0.984,504 0.695,505 0.966,506 0.692,507 0.914,508 1.15,509 0.815,510 0.994,511 0.837,512 1.234,513 0.897,514 5.5,515 0.098,516 2.222,517 2.326,518 1.475,519 0.789,520 0.633,521 0.251,522 0.336,523 0.172,524 7689,525 22495,526 2.124,527 39.5,529 15,531 1,532 1,536 1.693,537 2,538 3.319,539 -0.294,545 73.622,546 1.712,547 3.52,548 4.024,549 4.402,550 4.466,551 4.53,552 2.763,553 4.056,554 4.671,555 3.448,556 1120.63,557 8.108,558 13661.2,560 1,563 233.329,564 1.37,565 4.637,566 0.19,567 0.007,568 0.054,569 0.054,570 0.038,571 0.023,572 0.02,573 0.008,574 0.012,575 0.009,576 0.415,577 0.33,578 1,579 0.9,580 125.958,581 -0.063,582 -0.163,583 0.071,584 -0.049,585 -0.071,586 -0.007,587 -0.196,588 0.319,589 0.14,590 0.37,591 -0.054,592 0.307,593 -0.176,594 -0.188,595 -0.036,596 -0.065,597 -0.211,598 -0.069,599 0.227,600 -0.195,601 -0.043,602 -0.201,603 0.101,604 -0.208,605 -0.072,606 -0.04,607 0.062,608 0.054,609 0.029,610 0.092,611 -0.107,612 0.023,613 -0.343,614 -0.127,615 -0.161,616 -0.186,617 0.194,618 -0.021,619 0.246,620 -0.021,621 0.246,622 0.087,623 -0.067,624 0.201,625 -0.042,626 0.1,627 -0.114,628 0.043,629 0.96,630 1.832,631 0.731,632 21.556,633 1.013,634 1.115,635 2.6,636 6.76,637 0.706,638 3.401,639 3.738,640 4.06,641 4.382,642 4.654,643 4.787,644 4.97,645 5.118,646 5.159,647 5.273,648 5.952,649 0.676,650 367.46,651 3.401,652 4.949,653 5.82,654 6.718,655 7.609,656 8.516,657 9.416,658 10.327,659 11.232,660 12.146,661 7,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 3,699 43,700 21,701 2,702 29,704 46,705 19,706 16,707 6,708 6,710 4,711 7,721 16,722 3,733 1,736 17,737 6,738 1,739 7,740 1,743 3,747 0.5,748 3,755 1,759 1,760 3,762 2,777 2,779 1,781 3,785 26,790 1,791 3,797 1,801 7,806 3,808 13,809 8.9,810 5.861,811 2.261,812 4.351,813 1.558,814 1.007,815 4.72,816 12.151,817 3.701,818 4.391,819 5.089,820 5.794,821 6.427,822 6.873,823 7.391,824 7.896,825 8.199,826 8.614,827 0.857,828 43,829 9.521,831 3.968,832 7.647,833 18.172,835 14.588,837 2.147,838 55.833,841 1,842 188.338,843 156.427,844 51.582,846 33,848 31.278,849 125.149,850 221.337,851 51.582,852 32.649,854 56.857,855 45.342,856 82.833,857 3.82,858 207.844,860 188.338,861 176.731,862 33,863 31.278,865 188.338,866 33,869 28.773,870 114.386,871 33.571,872 31.278,873 188.338,874 84.581,875 156.427,878 188.338,879 58.301,880 98.125,881 18.011,882 66.571,883 188.338,884 84.581,885 156.427,887 0.574,888 0.352,889 0.198,890 0.115,891 21,892 9,893 0.109,894 5,895 2,896 1.211,897 3.755,898 227.854,899 0.211,900 19,901 114.211,902 1,904 17.157,905 7.154,906 3.267,907 4.086,908 84.581,909 13.166,910 8.89,913 1.627,914 3.808,916 18.011,917 429.346,918 39.5,926 43.549,927 47.95,928 0.316,929 0.649,930 0.742,931 0.811,932 0.823,933 0.835,934 4.929,935 1.423,936 5.808,937 5.415,938 4.419,939 5.078,940 1.751,941 6.648,942 4.276,943 6.165,944 1.293,945 7.378,946 4.061,947 4.007,948 5.007,950 7.573,951 3.817,952 7.498,953 0.644,954 9.044,955 3.093,956 6.038,957 7.431,958 1.466,959 10.696,960 5.783,961 8.871,962 0.484,963 10.766,964 1.532,965 6.447,966 8.207,968 12.463,969 6.13,970 10.276,971 0.401,972 12.526,973 0.695,974 7.938,975 10.105,976 1.234,977 15.116,978 7.576,979 11.705,980 0.396,981 14.312,982 0.661,983 8.742,984 11.298,986 17.265,987 8.309,988 13.153,989 -0.031,990 16.12,991 0.602,992 10.019,993 12.986,994 1.028,995 19.764,996 9.545,997 3.269,998 -0.528,999 17.945,1000 -0.084,1001 11.016,1002 14.385,1004 22.08,1005 10.468,1006 2.84,1007 11.485,1008 19.784,1009 -1.303,1010 12.213,1011 15.992,1012 0.845,1013 24.531,1014 11.617,1015 2.624,1016 8.753,1017 21.636,1018 4.851,1019 13.3,1020 17.486,1022 26.917,1023 12.633,1024 2.294,1025 8.168,1026 23.499,1027 3.864,1028 14.471,1029 19.067,1030 0.684,1031 29.356,1032 13.749,1033 2.061,1034 6.911,1035 25.371,1036 3.708,1037 15.602,1038 20.604,1040 31.772,1041 14.811,1042 1.97,1043 5.937,1044 27.251,1045 3.056,1046 16.767,1047 22.177,1048 0.546,1049 34.209,1050 15.917,1051 1.796,1052 5.818,1053 29.138,1054 2.661,1055 17.919,1056 23.735,1058 36.638,1059 17.002,1060 7385,1061 12769,1062 19.592,1063 30.358,1064 42.749,1065 44.274,1066 44.806,1067 42.83,1068 42.989,1069 59.168,1070 5.96,1071 126.266,1072 39.672,1073 5.528,1074 5.299,1075 6.417,1076 5.341,1077 5.269,1078 7.851,1079 1.72,1080 18.871,1081 5.07,1082 11.716,1083 1.474,1084 1.527,1085 1.545,1086 1.477,1087 1.482,1088 2.04,1089 0.206,1090 4.354,1091 1.368,1092 4.164,1093 4.173,1094 4.399,1095 4.167,1096 5.106,1097 4.123,1098 3.915,1099 3.932,1100 3.875,1101 3.823,1102 4.917,1103 3.83,1104 3.66,1105 3.696,1106 3.621,1107 3.522,1108 4.796,1109 3.535,1110 3.303,1111 3.355,1112 3.363,1113 3.045,1114 4.58,1115 3.043,1116 3.273,1117 3.331,1118 3.144,1119 3.006,1120 4.399,1121 3.026,1122 3.201,1123 3.278,1124 3.119,1125 2.97,1126 4.28,1127 2.952,1128 3.02,1129 3.067,1130 3,1131 2.922,1132 3.947,1133 2.897,1134 2.96,1135 3.04,1136 2.774,1137 2.75,1138 3.849,1139 2.74,1140 0.164,1141 0.114,1142 0.237,1143 0.145,1144 0.113,1145 4.753,1146 0.167,1147 3.299,1148 0.03,1149 6.864,1150 0.396,1151 4.209,1152 0.106,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.942,1159 1.924,1160 2.005,1161 2.048,1162 1.154,1163 2.033,1164 1.883,1165 1.867,1166 1.962,1167 1.985,1168 1.075,1169 1.983,1170 1.724,1171 1.711,1172 1.722,1173 1.842,1174 0.89,1175 1.836,1176 1.227,1177 1.163,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.213,1183 1.158,1184 1.562,1185 1.513,1186 0.578,1187 1.531,1188 1.163,1189 1.086,1190 1.536,1191 1.462,1192 0.56,1193 1.489,1194 0.992,1195 0.957,1196 1.146,1197 1.182,1198 0.251,1199 1.183,1200 0.932,1201 0.856,1202 1.127,1203 1.084,1204 0.217,1205 1.139,1206 4.078,1208 5.407,1209 2.398,1210 6.944,1211 4.844,1212 8.576,1213 7.066,1214 10.258,1216 4.916,1223 3.354,1224 15.987,1231 29.083,1232 73.622,1233 151.374,1234 173.026,1235 189.29,1236 192.045,1237 194.8,1238 30.397,1239 7.8,1240 65.5,1241 93.74,1242 23,1243 12.661,1244 4.459,1245 3.524,1246 37.957,1247 92,1248 98,1249 0.204,1250 180.607,1251 298.34,1252 432.442,1253 25925,1255 18.096,1256 0.696,1257 0.592,1258 18.449,1259 15.385,1260 12.711,1261 0.438,1262 0.302,1263 7.827,1264 11.609,1265 7.485,1266 6.256,1267 13.12,1268 8.746,1269 11.123,1270 0.271,1271 0.162,1272 11.739,1273 6.643,1274 9.911,1275 0.174,1276 0.092,1277 10.751,1278 5.222,1279 8.515,1280 0.108,1281 0.05,1282 9.526,1283 3.917,1284 7.269,1285 0.07,1286 0.027,1287 8.274,1288 2.805,1289 0.315,1290 85.013,1291 0.226,1292 24.774,1293 0.574,1294 140,1295 447.69,1296 179.865,1297 443.41,1298 615.39,1299 420,1300 168,1301 440.562,1302 207.857,1303 465.451,1304 680.86,1305 433,1306 5.409} {0 CHEMBL2313910,1 1.727,2 10.75,3 4.565,4 20.839,5 108.647,6 8.457,7 0.677,8 3.985,9 4.07,10 3.704,11 3.52,12 5.163,13 3.514,14 4.485,15 4.626,16 4.072,17 3.884,18 5.59,19 3.867,20 4.533,21 4.63,22 4.23,23 4.005,24 5.7,25 3.984,26 4.68,27 4.815,28 4.186,29 4.062,30 5.799,31 4.004,32 4.796,33 4.979,34 4.013,35 4.031,36 5.81,37 3.948,38 4.715,39 4.906,40 3.893,41 3.966,42 5.732,43 3.856,44 4.674,45 4.929,46 3.886,47 3.81,48 5.611,49 3.723,50 4.439,51 4.626,52 3.835,53 3.699,54 5.516,55 3.653,56 0.092,57 0.672,58 8.371,59 4.457,60 7.833,61 4.784,62 0.486,63 1.049,64 19.223,65 7.412,66 29.691,67 7.563,68 0.458,69 1.187,70 18.741,71 7.466,72 19.848,73 8.004,74 0.471,75 1.32,76 22.696,77 9.52,78 25.042,79 10.556,80 0.663,81 1.386,82 28.819,83 10.334,84 40.945,85 11.474,86 0.575,87 1.35,88 28.413,89 9.828,90 36.697,91 11.251,92 0.529,93 1.207,94 28.473,95 9.386,96 34.996,97 12.407,98 0.446,99 0.984,100 19.398,101 6.817,102 29.178,103 7.876,104 33,105 44,106 0.292,107 0.586,108 0.67,109 0.726,110 0.748,111 0.813,112 3.375,113 0.898,114 -3.3,115 -3.29,116 -3.15,119 42.6,123 4,133 5,134 1,135 5,137 1,138 1,139 1,143 2,159 2,161 1,162 5,164 1,166 2,168 6,171 2,172 6,176 1,178 2,181 1,182 9,185 3,187 1,190 1,194 2,197 1,199 2,202 2,205 3,206 3,211 1,213 2,216 2,217 2,220 1,224 4,228 2,229 3,237 2,241 1,242 7,255 1172,256 19.514,257 19.514,258 19.514,259 19.514,260 19.514,261 17.135,262 23.952,263 11.21,264 20.54,265 15.061,266 15.061,267 15.061,268 15.061,269 15.061,270 11.159,271 36.89,272 4.954,273 16.373,274 3.828,275 2.088,276 1.588,277 1.256,278 1.128,279 0.745,280 4.073,284 1,285 647,286 3.162,288 43.544,289 206.135,291 176.463,295 1.625,296 22.706,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 0.87,306 61.5,307 301,308 4.753,309 3.38,310 6.864,311 4.21,312 3.27,313 4.851,314 0.86,315 11.486,316 3.071,317 4.422,318 3.288,319 6.524,320 4.005,321 3.061,322 4.107,323 0.86,324 10.262,325 2.882,326 4.069,327 2.864,328 6.031,329 3.606,330 2.662,331 3.732,332 0.86,333 8.639,334 2.502,335 3.682,336 2.627,337 5.434,338 3.283,339 2.345,340 3.086,341 0.86,342 7.079,343 2.194,344 3.462,345 2.555,346 5.239,347 3.03,348 2.082,349 2.802,350 0.4,351 6.46,352 1.964,353 3.355,354 2.258,355 5.19,356 2.972,357 2.061,358 2.649,360 6.118,361 1.867,362 3.282,363 1.951,364 4.971,365 2.698,366 1.805,367 2.604,369 5.466,370 1.595,371 2.898,372 1.832,373 4.46,374 2.343,375 1.434,376 2.084,378 4.126,379 1.292,380 2.773,381 1.489,382 3.843,383 2.24,384 1.304,385 1.897,386 3.095,387 1.214,388 2.209,389 1.316,390 3.777,391 1.965,392 1.138,393 1.192,394 2.399,395 0.937,396 2.028,397 1.055,398 3.263,399 1.531,400 0.644,401 0.855,402 1.507,403 0.562,404 1.61,405 1.002,406 2.893,407 1.276,408 0.416,409 0.483,411 0.68,412 0.354,413 1.576,414 0.916,415 2.859,416 1.27,417 0.396,418 0.452,420 0.603,421 0.342,422 1.437,423 0.607,424 2.822,425 1.165,426 0.325,427 0.355,429 0.438,430 0.271,431 1.259,432 0.237,433 2.489,434 0.877,435 -0.028,436 -0.035,438 -0.062,439 -0.025,440 13.367,441 0.477,442 0.581,443 0.021,444 39.5,445 1.411,446 20.5,447 0.732,448 19,449 0.679,450 21.839,451 0.78,452 29.833,453 0.635,454 29.394,455 1.05,456 8.048,457 0.287,458 5.628,459 0.201,460 0.15,462 0.374,466 0.924,467 1.282,468 0.696,469 1.037,470 0.855,471 0.908,472 1.471,473 0.669,474 0.802,475 0.556,476 1.239,477 0.529,478 0.936,479 1.284,480 0.944,481 1.103,482 0.873,483 0.923,484 0.782,485 1.272,486 1.035,487 1.244,488 0.773,489 1.153,490 1.324,491 1.017,492 1.139,493 0.942,494 1.295,495 1.016,496 0.945,497 1.136,498 1.374,499 1.214,500 1.048,501 1.196,502 0.548,503 0.812,504 0.582,505 0.788,506 0.557,507 0.744,508 1.062,509 0.856,510 0.827,511 0.821,512 1.12,513 0.822,514 5.5,515 0.151,516 3.111,517 2.639,518 1.866,519 0.907,520 0.713,521 0.338,522 0.392,523 0.262,524 9219,525 27685,526 2.094,527 40.4,529 17,531 1,532 1,536 1.713,537 1.953,538 3.387,539 -0.288,545 81.162,546 1.727,547 3.467,548 3.967,549 4.299,550 4.427,551 4.809,552 2.88,553 4.209,554 4.779,555 3.521,556 1331.05,557 8.323,558 17113,560 1,563 261.066,564 1.432,565 4.736,566 0.177,567 0.008,568 0.071,569 0.054,570 0.041,571 0.023,572 0.021,573 0.01,574 0.012,575 0.01,576 0.428,577 0.33,578 1,579 0.974,580 139.169,581 -0.069,582 -0.198,583 0.074,584 -0.08,585 -0.063,586 -0.022,587 -0.233,588 0.366,589 0.164,590 0.432,591 -0.131,592 0.38,593 0.071,594 -0.17,595 0.043,596 -0.049,597 0.03,598 -0.031,599 0.117,600 -0.215,601 -0.066,602 -0.217,603 0.09,604 -0.217,605 -0.229,606 -0.031,607 -0.154,608 0.031,609 -0.237,610 -0.061,611 -0.069,612 -0.078,613 -0.29,614 -0.174,615 -0.144,616 -0.225,617 0.231,618 0.126,619 0.394,620 0.148,621 0.342,622 0.302,623 -0.026,624 0.168,625 0.118,626 0.114,627 -0.037,628 0.119,629 1.127,630 1.929,631 0.679,632 24.276,633 1.016,634 1.119,635 2.068,636 4.278,637 0.693,638 3.466,639 3.807,640 4.159,641 4.477,642 4.727,643 4.852,644 5.037,645 5.198,646 5.247,647 5.371,648 6.251,649 0.666,650 397.49,651 3.466,652 5.017,653 5.9,654 6.804,655 7.704,656 8.615,657 9.521,658 10.435,659 11.345,660 12.26,661 6.4,669 1,671 2,674 4,675 6,676 2,679 1,680 6,682 21,692 1,697 4,699 47,700 21,701 2,702 31,704 50,705 20,706 16,707 7,708 5,710 4,711 7,721 16,722 4,733 1,736 19,737 7,738 1,739 8,740 1,743 3,747 0.5,748 4,755 1,759 1,760 3,762 2,777 2,779 1,781 4,785 28,790 1,791 4,797 1,801 8.5,806 4,808 14.333,809 9.983,810 6.417,811 2.428,812 4.363,813 1.549,814 0.99,815 5.416,816 12.313,817 3.75,818 4.44,819 5.152,820 5.845,821 6.47,822 6.912,823 7.425,824 7.931,825 8.24,826 8.667,827 1,828 49,829 10.256,831 4.253,832 7.679,833 19.481,835 15.485,837 2.179,838 61,841 1,842 211.88,843 163.077,844 51.582,846 44,848 31.278,849 131.799,850 255.879,851 51.582,852 43.532,854 47.381,855 45.342,856 99.076,857 3.82,858 231.386,860 211.88,861 183.381,862 44,863 31.278,865 211.88,866 44,869 28.773,870 121.036,871 33.571,872 31.278,873 211.88,874 95.581,875 163.077,878 211.88,879 63.545,880 99.532,881 18.011,882 77.571,883 211.88,884 95.581,885 163.077,887 0.572,888 0.367,889 0.213,890 0.116,891 22,892 10,893 0.12,894 6,895 2,896 1.211,897 3.857,898 253.497,899 0.211,900 19,901 126.606,902 1,904 19.024,905 7.971,906 3.457,907 4.006,908 95.581,909 11.188,910 8.909,913 1.61,914 3.957,916 18.011,917 470.538,918 41.5,926 47.76,927 52.574,928 0.311,929 0.624,930 0.714,931 0.774,932 0.797,933 0.866,934 4.985,935 1.434,936 5.894,937 5.466,938 4.489,939 5.127,940 1.979,941 6.76,942 4.336,943 6.224,944 1.304,945 7.485,946 4.126,947 4.111,948 5.094,950 7.758,951 3.917,952 7.565,953 1.138,954 9.174,955 3.095,956 6.133,957 7.491,958 1.691,959 10.884,960 5.865,961 8.949,962 0.644,963 10.92,964 2.399,965 6.594,966 8.305,968 12.704,969 6.267,970 10.364,971 0.416,972 12.703,973 1.507,974 8.072,975 10.179,976 1.446,977 15.354,978 7.693,979 11.804,980 0.396,981 14.511,982 0.68,983 8.918,984 11.392,986 17.518,987 8.468,988 13.262,989 0.325,990 16.338,991 0.603,992 10.189,993 13.065,994 1.222,995 20.011,996 9.693,997 3.27,998 -0.028,999 18.18,1000 0.438,1001 11.211,1002 14.469,1004 22.322,1005 10.642,1006 3.061,1007 11.486,1008 20.033,1009 -0.062,1010 12.406,1011 16.067,1012 1.019,1013 24.762,1014 11.787,1015 2.662,1016 10.262,1017 21.896,1018 4.851,1019 13.506,1020 17.559,1022 27.135,1023 12.817,1024 2.345,1025 8.639,1026 23.767,1027 4.107,1028 14.676,1029 19.131,1030 0.837,1031 29.56,1032 13.932,1033 2.082,1034 7.079,1035 25.644,1036 3.732,1037 15.811,1038 20.664,1040 31.96,1041 15,1042 2.061,1043 6.46,1044 27.527,1045 3.086,1046 16.974,1047 22.231,1048 0.677,1049 34.383,1050 16.105,1051 1.805,1052 6.118,1053 29.415,1054 2.802,1055 18.126,1056 23.783,1058 36.797,1059 17.191,1060 8913,1061 15585,1062 20.69,1063 32.574,1064 45.627,1065 47.343,1066 48.888,1067 45.717,1068 45.891,1069 62.297,1070 7.68,1071 136.715,1072 42.092,1073 5.529,1074 5.38,1075 6.412,1076 5.343,1077 5.27,1078 7.851,1079 1.72,1080 18.872,1081 5.071,1082 14.075,1083 1.472,1084 1.527,1085 1.577,1086 1.475,1087 1.48,1088 2.01,1089 0.248,1090 4.41,1091 1.358,1092 4.164,1093 4.174,1094 4.399,1095 4.167,1096 5.108,1097 4.124,1098 3.927,1099 3.937,1100 3.899,1101 3.824,1102 4.964,1103 3.838,1104 3.663,1105 3.698,1106 3.625,1107 3.522,1108 4.797,1109 3.536,1110 3.303,1111 3.355,1112 3.366,1113 3.054,1114 4.58,1115 3.064,1116 3.296,1117 3.351,1118 3.162,1119 3.006,1120 4.469,1121 3.026,1122 3.234,1123 3.302,1124 3.144,1125 2.996,1126 4.397,1127 2.985,1128 3.193,1129 3.273,1130 3.032,1131 2.938,1132 4.279,1133 2.904,1134 3.018,1135 3.056,1136 2.965,1137 2.893,1138 3.909,1139 2.888,1140 0.153,1141 0.109,1142 0.221,1143 0.136,1144 0.105,1145 4.753,1146 0.156,1147 3.38,1148 0.028,1149 6.864,1150 0.371,1151 4.21,1152 0.099,1153 3.27,1154 4.851,1155 0.86,1156 11.486,1157 3.071,1158 1.942,1159 1.924,1160 2.003,1161 2.049,1162 1.154,1163 2.032,1164 1.879,1165 1.868,1166 1.944,1167 1.989,1168 1.076,1169 1.981,1170 1.723,1171 1.712,1172 1.721,1173 1.846,1174 0.89,1175 1.837,1176 1.227,1177 1.164,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.221,1183 1.163,1184 1.572,1185 1.527,1186 0.578,1187 1.539,1188 1.194,1189 1.129,1190 1.562,1191 1.505,1192 0.574,1193 1.527,1194 1.155,1195 1.068,1196 1.531,1197 1.461,1198 0.56,1199 1.488,1200 0.992,1201 0.957,1202 1.127,1203 1.131,1204 0.251,1205 1.151,1206 4.143,1208 5.476,1209 2.398,1210 7.026,1211 4.844,1212 8.674,1213 7.066,1214 10.372,1216 6.408,1223 3.35,1224 21.573,1231 31.325,1232 81.162,1233 162.927,1234 186.436,1235 202.046,1236 208.046,1237 226.046,1238 36.669,1239 7.949,1240 74.73,1241 102.97,1242 23,1243 12.773,1244 4.459,1245 3.524,1246 42.359,1247 105,1248 112,1249 0.2,1250 194.196,1251 324.43,1252 465.598,1253 30879,1255 19.673,1256 0.703,1257 0.597,1258 20.027,1259 16.716,1260 13.677,1261 0.441,1262 0.299,1263 8.32,1264 12.435,1265 7.937,1266 6.652,1267 14.085,1268 9.281,1269 11.748,1270 0.267,1271 0.158,1272 12.363,1273 6.955,1274 10.759,1275 0.171,1276 0.088,1277 11.599,1278 5.536,1279 9.438,1280 0.108,1281 0.048,1282 10.449,1283 4.19,1284 7.831,1285 0.07,1286 0.026,1287 8.836,1288 2.96,1289 0.31,1290 91.922,1291 0.22,1292 26.355,1293 0.56,1294 150,1295 503.426,1296 192.743,1297 489.536,1298 677.02,1299 464,1300 182,1301 483.108,1302 226.064,1303 507.922,1304 746.14,1305 471,1306 5} {0 CHEMBL2313911,1 1.757,2 9.96,3 4.382,4 19.205,5 95.024,6 9.248,7 0.724,8 3.817,9 3.89,10 3.623,11 3.42,12 4.987,13 3.42,14 4.322,15 4.426,16 4.032,17 3.821,18 5.493,19 3.805,20 4.393,21 4.511,22 4.065,23 3.883,24 5.505,25 3.841,26 4.43,27 4.58,28 3.93,29 3.845,30 5.491,31 3.765,32 4.384,33 4.586,34 3.748,35 3.727,36 5.372,37 3.628,38 4.242,39 4.407,40 3.691,41 3.645,42 5.313,43 3.561,44 4.164,45 4.332,46 3.646,47 3.506,48 5.252,49 3.458,50 4.03,51 4.17,52 3.535,53 3.386,54 5.153,55 3.361,56 0.094,57 0.548,58 5.156,59 3.349,60 5.839,61 3.184,62 0.441,63 0.909,64 12.252,65 5.917,66 23.494,67 5.223,68 0.285,69 1.036,70 14.389,71 6.419,72 14.937,73 6.135,74 0.35,75 1.058,76 16.763,77 7.384,78 19.402,79 7.393,80 0.336,81 1.009,82 18.752,83 7.362,84 21.868,85 8.279,86 0.323,87 0.908,88 17.609,89 6.456,90 19.088,91 6.367,92 0.321,93 0.778,94 13.265,95 5.443,96 18.013,97 5.981,98 0.285,99 0.666,100 9.748,101 4.285,102 17.179,103 3.998,104 3,105 42,106 0.307,107 0.641,108 0.788,109 0.869,110 0.887,111 0.887,112 3.268,113 0.881,114 -4,115 -3.96,116 -3.75,119 47.4,123 1,125 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 2,162 5,164 1,166 2,168 6,172 7,176 2,178 3,182 8,185 2,187 1,190 1,194 3,197 1,199 2,202 2,205 2,206 3,211 1,213 3,216 2,217 2,220 1,224 5,228 1,229 2,237 4,241 1,242 5,250 1,255 857,256 17.558,257 17.558,258 17.558,259 17.558,260 17.558,261 15.179,262 20.401,263 10.178,264 18.219,265 14.301,266 14.301,267 14.301,268 14.301,269 14.301,270 10.546,271 31.696,272 4.779,273 15.319,274 3.491,275 1.586,276 0.744,277 0.283,278 0.178,279 0.178,280 3.987,284 1,285 568,286 2.55,288 84.505,289 151.857,291 225.412,295 1.565,296 18.771,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.5,307 249,308 4.753,309 3.325,310 6.864,311 4.209,312 3.269,313 4.851,314 1.392,315 11.485,316 3.07,317 4.295,318 3.281,319 6.199,320 3.895,321 2.945,322 3.935,323 0.86,324 9.28,325 2.79,326 4.064,327 2.868,328 6.026,329 3.604,330 2.66,331 3.725,332 0.532,333 8.617,334 2.5,335 3.684,336 2.642,337 5.426,338 3.292,339 2.352,340 3.083,341 0.4,342 7.057,343 2.206,344 3.475,345 2.278,346 5.217,347 3.05,348 2.1,349 2.811,351 6.421,352 1.985,353 3.282,354 1.991,355 4.967,356 2.7,357 1.806,358 2.649,360 5.463,361 1.597,362 2.899,363 1.862,364 4.46,365 2.477,366 1.534,367 2.085,369 4.246,370 1.439,371 2.885,372 1.718,373 4.354,374 2.346,375 1.435,376 2.024,378 4.076,379 1.297,380 2.773,381 1.48,382 3.841,383 2.242,384 1.303,385 1.897,386 3.094,387 1.215,388 2.21,389 1.314,390 3.454,391 2.089,392 1.098,393 1.189,394 2.454,395 1.087,396 2.042,397 1.042,398 3.277,399 1.556,400 0.657,401 0.873,402 1.577,403 0.581,404 1.714,405 0.816,406 3.065,407 1.397,408 0.484,409 0.572,411 1.107,412 0.437,413 1.597,414 0.586,415 2.87,416 1.245,417 0.377,418 0.455,420 0.656,421 0.324,422 1.235,423 0.118,424 2.819,425 0.85,426 -0.067,427 -0.085,429 -0.175,430 -0.061,431 0.827,432 -0.287,433 2.405,434 0.391,435 -0.54,436 -0.706,438 -1.31,439 -0.496,440 12.033,441 0.481,442 0.53,443 0.021,444 37.5,445 1.5,446 20,447 0.8,448 17.5,449 0.7,450 16.958,451 0.678,452 25.167,453 0.662,454 24.428,455 0.977,456 7.33,457 0.293,458 4.984,459 0.199,460 0.042,462 0.374,466 0.914,467 1.139,468 0.642,469 0.895,470 0.867,471 0.778,472 1.243,473 0.75,474 0.819,475 0.659,476 1.084,477 0.648,478 0.984,479 1.267,480 1.02,481 1.121,482 0.926,483 0.987,484 0.826,485 1.175,486 1.161,487 1.188,488 0.919,489 1.157,490 0.688,491 1.031,492 1.025,493 0.981,494 0.807,495 0.971,496 0.78,497 1.102,498 1.493,499 1.27,500 0.855,501 1.077,502 0.676,503 0.984,504 0.857,505 1.029,506 0.7,507 0.981,508 1.234,509 0.946,510 0.918,511 0.949,512 1.322,513 0.995,514 4.5,515 0.056,516 2.667,517 1.896,518 1.27,519 0.577,520 0.576,521 0.253,522 0.211,523 0.122,524 7752,525 22782,526 2.251,527 34.2,529 9,530 2,531 1,532 1,536 1.68,537 2.174,538 3.305,539 -0.277,541 1,545 66.747,546 1.757,547 3.662,548 4.504,549 4.965,550 5.07,551 5.07,552 2.759,553 4.324,554 4.615,555 3.43,556 1029.09,557 7.98,558 12098.2,560 1,562 1,563 199.421,564 1.159,565 4.603,566 0.155,567 0.005,568 0.063,569 0.046,570 0.036,571 0.019,572 0.02,573 0.009,574 0.009,575 0.007,576 0.37,577 0.5,578 0.88,579 0.557,580 119.466,581 -0.089,582 -0.14,583 0.062,584 -0.033,585 -0.114,586 0.008,587 -0.077,588 0.261,589 0.061,590 0.281,591 -0.049,592 0.19,593 -0.133,594 -0.23,595 -0.034,596 -0.116,597 -0.103,598 -0.103,599 -0.026,600 -0.155,601 -0.128,602 -0.166,603 -0.093,604 -0.205,605 0.018,606 -0.024,607 0.056,608 0.049,609 0.047,610 0.084,611 -0.008,612 -0.01,613 -0.27,614 -0.144,615 0.003,616 -0.095,617 0.215,618 0.006,619 0.096,620 -0.076,621 0.252,622 -0.006,623 -0.126,624 0.049,625 -0.072,626 -0.062,627 -0.23,628 -0.111,629 1.241,630 1.932,631 0.88,632 20.096,633 1.021,634 1.108,635 2.774,636 7.693,637 0.733,638 3.401,639 3.761,640 4.111,641 4.443,642 4.691,643 4.836,644 5.037,645 5.22,646 5.231,647 5.366,648 5.842,649 0.711,650 351.41,651 3.401,652 4.963,653 5.849,654 6.753,655 7.655,656 8.565,657 9.472,658 10.385,659 11.296,660 12.211,661 7.9,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 3,699 38,700 21,701 2,702 29,704 42,705 18,706 16,707 6,708 6,710 5,711 9,721 16,722 2,733 1,736 13,737 6,738 1,739 7,740 1,743 3,747 0.4,748 3,755 1,759 2,760 3,762 3,777 2,779 1,781 1,785 25,789 1,790 1,791 3,797 1,801 7.9,806 3,808 11.5,809 7.4,810 5.389,811 2.101,812 4.407,813 1.545,814 1.065,815 3.553,816 12.499,817 3.701,818 4.404,819 5.11,820 5.811,821 6.443,822 6.888,823 7.413,824 7.93,825 8.213,826 8.634,827 0.857,828 41,829 9.176,831 3.983,832 7.633,833 17.574,835 14.71,837 2.133,838 53.333,842 141.253,843 141.311,844 51.582,846 33,848 31.278,849 110.033,850 174.253,851 51.582,852 10.883,853 6.65,854 56.857,855 45.342,856 82.833,857 27.362,858 137.218,860 141.253,861 161.615,862 33,863 31.278,865 141.253,866 33,869 35.424,870 92.62,871 33.571,872 31.278,873 141.253,874 84.581,875 141.311,878 141.253,879 64.952,880 76.359,881 18.011,882 66.571,883 141.253,884 84.581,885 141.311,887 0.585,888 0.357,889 0.203,890 0.109,891 24,892 9,893 0.071,894 3,895 3,896 1.273,897 3.805,898 224.135,899 0.273,900 22,901 116.096,902 1,904 15.019,905 5.914,906 2.537,907 4.143,908 84.581,909 13.315,910 8.877,913 1.639,914 3.976,916 18.011,917 367.145,918 39.5,926 38.782,927 42.119,928 0.335,929 0.698,930 0.858,931 0.946,932 0.966,933 0.966,934 4.943,935 1.435,936 5.838,937 4.246,938 4.443,939 5.091,940 1.979,941 6.688,942 4.312,943 6.178,944 1.303,945 7.413,946 4.076,947 4.007,948 5.007,950 7.627,951 3.817,952 7.512,953 1.098,954 9.086,955 3.094,956 6.071,957 7.442,958 2.283,959 10.763,960 5.825,961 8.888,962 0.657,963 10.818,964 2.454,965 6.494,966 8.229,968 12.557,969 6.176,970 10.298,971 0.484,972 12.589,973 1.577,974 7.995,975 10.124,976 2.796,977 15.203,978 7.636,979 11.733,980 0.377,981 14.387,982 1.107,983 8.815,984 11.324,986 17.358,987 8.379,988 13.187,989 -0.067,990 16.205,991 0.656,992 10.096,993 13.008,994 3.392,995 19.847,996 9.618,997 3.269,998 -0.54,999 18.038,1000 -0.175,1001 11.102,1002 14.408,1004 22.157,1005 10.547,1006 2.945,1007 11.485,1008 19.884,1009 -1.31,1010 12.299,1011 16.013,1012 4.023,1013 24.599,1014 11.696,1015 2.66,1016 9.28,1017 21.741,1018 4.851,1019 13.389,1020 17.506,1022 26.976,1023 12.714,1024 2.352,1025 8.617,1026 23.606,1027 3.935,1028 14.558,1029 19.083,1030 4.67,1031 29.406,1032 13.83,1033 2.1,1034 7.057,1035 25.478,1036 3.725,1037 15.688,1038 20.619,1040 31.815,1041 14.891,1042 1.806,1043 6.421,1044 27.357,1045 3.083,1046 16.85,1047 22.19,1048 5.325,1049 34.245,1050 15.995,1051 1.534,1052 5.463,1053 29.242,1054 2.811,1055 17.999,1056 23.746,1058 36.668,1059 17.078,1060 7037,1061 12212,1062 20.285,1063 27.835,1064 43.932,1065 45.068,1066 44.783,1067 44,1068 44.042,1069 60.296,1070 6.366,1071 131.065,1072 41.053,1073 5.589,1074 5.325,1075 6.412,1076 5.343,1077 5.269,1078 7.851,1079 2.783,1080 18.87,1081 5.07,1082 6.655,1083 1.515,1084 1.554,1085 1.544,1086 1.517,1087 1.519,1088 2.079,1089 0.22,1090 4.519,1091 1.416,1092 4.164,1093 4.174,1094 4.399,1095 4.167,1096 5.109,1097 4.123,1098 3.943,1099 3.954,1100 3.907,1101 3.838,1102 4.995,1103 3.849,1104 3.665,1105 3.701,1106 3.626,1107 3.523,1108 4.798,1109 3.537,1110 3.331,1111 3.365,1112 3.37,1113 3.072,1114 4.43,1115 3.102,1116 3.237,1117 3.297,1118 3.227,1119 3.01,1120 4.355,1121 3.001,1122 3.02,1123 3.058,1124 3.047,1125 2.941,1126 4.014,1127 2.903,1128 2.949,1129 3.021,1130 2.817,1131 2.767,1132 3.918,1133 2.767,1134 2.83,1135 2.891,1136 2.692,1137 2.692,1138 3.848,1139 2.681,1140 0.164,1141 0.115,1142 0.237,1143 0.145,1144 0.113,1145 4.753,1146 0.167,1147 3.325,1148 0.048,1149 6.864,1150 0.396,1151 4.209,1152 0.106,1153 3.269,1154 4.851,1155 1.392,1156 11.485,1157 3.07,1158 1.941,1159 1.924,1160 2.003,1161 2.042,1162 1.154,1163 2.028,1164 1.869,1165 1.851,1166 1.944,1167 1.962,1168 1.065,1169 1.964,1170 1.717,1171 1.704,1172 1.715,1173 1.825,1174 0.887,1175 1.821,1176 1.21,1177 1.156,1178 1.557,1179 1.52,1180 0.579,1181 1.527,1182 1.161,1183 1.128,1184 1.439,1185 1.504,1186 0.577,1187 1.486,1188 0.992,1189 0.958,1190 1.131,1191 1.208,1192 0.251,1193 1.185,1194 0.943,1195 0.889,1196 1.126,1197 1.084,1198 0.202,1199 1.138,1200 0.795,1201 0.75,1202 1.051,1203 0.988,1204 0.144,1205 1.019,1206 4.078,1208 5.425,1209 3.045,1210 6.973,1211 5.416,1212 8.612,1213 7.545,1214 10.3,1216 1.668,1222 0.259,1223 3.359,1224 16.098,1231 27.03,1232 66.747,1233 139.141,1234 171.157,1235 188.666,1236 192.666,1237 192.666,1238 25.401,1239 8.092,1240 65.5,1241 93.74,1242 28,1243 12.724,1244 4.459,1245 3.524,1246 32.12,1247 87,1248 91,1249 0.181,1250 163.622,1251 268.68,1252 390.997,1253 38574,1255 16.803,1256 0.672,1257 0.564,1258 17.156,1259 14.092,1260 12.314,1261 0.425,1262 0.294,1263 7.61,1264 11.276,1265 7.377,1266 6.076,1267 12.722,1268 8.512,1269 11.131,1270 0.265,1271 0.157,1272 11.747,1273 6.609,1274 10.154,1275 0.169,1276 0.087,1277 10.994,1278 5.244,1279 8.967,1280 0.107,1281 0.048,1282 9.978,1283 4.011,1284 7.376,1285 0.068,1286 0.026,1287 8.381,1288 2.805,1289 0.281,1290 82.215,1291 0.222,1292 24.053,1293 0.507,1294 142,1295 449.69,1296 183.414,1297 444.619,1298 623.73,1299 422,1300 173,1301 455.381,1302 214.961,1303 475.847,1304 706.65,1305 446,1306 5} {0 CHEMBL2313912,1 1.728,2 10.615,3 4.4,4 19.36,5 100.215,6 8.913,7 0.7,8 3.879,9 3.957,10 3.653,11 3.476,12 5.022,13 3.469,14 4.393,15 4.509,16 4.053,17 3.872,18 5.515,19 3.849,20 4.535,21 4.665,22 4.135,23 3.952,24 5.639,25 3.914,26 4.497,27 4.648,28 3.975,29 3.918,30 5.542,31 3.834,32 4.475,33 4.676,34 3.805,35 3.825,36 5.446,37 3.719,38 4.369,39 4.556,40 3.731,41 3.723,42 5.391,43 3.626,44 4.252,45 4.435,46 3.679,47 3.568,48 5.308,49 3.513,50 4.128,51 4.281,52 3.602,53 3.472,54 5.222,55 3.441,56 0.078,57 0.591,58 6.282,59 3.722,60 5.923,61 3.784,62 0.339,63 0.98,64 14.248,65 6.579,66 21.542,67 6.291,68 0.467,69 1.153,70 19.277,71 7.539,72 24.626,73 7.476,74 0.327,75 1.128,76 18.533,77 7.968,78 19.335,79 8.414,80 0.312,81 1.097,82 20.28,83 8.052,84 21.695,85 9.381,86 0.333,87 1.019,88 20.744,89 7.414,90 21.46,91 8.003,92 0.338,93 0.854,94 15.437,95 5.914,96 19.72,97 6.78,98 0.281,99 0.738,100 11.811,101 4.834,102 18.073,103 4.982,104 3,105 43,106 0.298,107 0.629,108 0.772,109 0.846,110 0.862,111 0.871,112 3.305,113 0.901,114 -3.83,115 -3.79,116 -3.6,119 46.3,123 1,124 2,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 5,164 1,166 2,168 6,171 1,172 7,176 2,178 3,182 8,185 2,187 1,190 1,194 3,197 1,199 2,202 2,205 2,206 3,211 1,213 3,216 2,217 2,220 1,224 5,228 1,229 2,237 4,241 1,242 5,250 1,255 966,256 18.265,257 18.265,258 18.265,259 18.265,260 18.265,261 15.886,262 21.795,263 10.678,264 19.05,265 14.801,266 14.801,267 14.801,268 14.801,269 14.801,270 11.046,271 33.441,272 5.026,273 16.017,274 3.63,275 1.715,276 0.885,277 0.457,278 0.36,279 0.311,280 4.025,284 1,285 626,286 2.55,288 36.639,289 217.808,291 148.008,292 96.229,295 1.615,296 19.797,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 56.5,307 276,308 4.753,309 3.305,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.284,318 3.246,319 6.189,320 3.872,321 2.928,322 3.927,323 0.86,324 9.252,325 2.761,326 4.063,327 2.866,328 6.025,329 3.6,330 2.658,331 3.724,332 0.86,333 8.614,334 2.494,335 3.681,336 2.637,337 5.426,338 3.286,339 2.349,340 3.082,341 0.4,342 7.054,343 2.193,344 3.471,345 2.28,346 5.216,347 3.044,348 2.099,349 2.805,351 6.416,352 1.974,353 3.282,354 2.17,355 4.967,356 2.699,357 1.807,358 2.649,360 5.463,361 1.596,362 2.923,363 1.87,364 4.468,365 2.53,366 1.618,367 2.085,369 4.384,370 1.469,371 2.899,372 1.778,373 4.393,374 2.364,375 1.455,376 2.061,378 4.091,379 1.309,380 2.774,381 1.486,382 3.841,383 2.302,384 1.388,385 1.898,386 3.096,387 1.257,388 2.475,389 1.315,390 3.617,391 2.234,392 1.292,393 1.474,394 2.997,395 1.209,396 2.056,397 1.048,398 3.288,399 1.628,400 0.726,401 0.909,402 1.703,403 0.647,404 1.904,405 1.001,406 3.167,407 1.506,408 0.62,409 0.784,411 1.451,412 0.541,413 1.607,414 0.618,415 2.91,416 1.264,417 0.403,418 0.476,420 0.675,421 0.343,422 1.303,423 0.229,424 2.824,425 0.916,426 0.008,427 0.01,429 0.02,430 0.007,431 0.913,432 -0.113,433 2.405,434 0.478,435 -0.437,436 -0.554,438 -1.03,439 -0.393,440 12.533,441 0.482,442 0.53,443 0.02,444 38,445 1.462,446 20,447 0.769,448 18,449 0.692,450 18.572,451 0.714,452 26.467,453 0.646,454 25.234,455 0.971,456 7.385,457 0.284,458 5.429,459 0.209,460 0.04,462 0.359,466 0.904,467 1.154,468 0.658,469 0.916,470 0.841,471 0.807,472 1.34,473 0.832,474 0.828,475 0.739,476 1.134,477 0.71,478 1.212,479 1.127,480 1.002,481 0.983,482 1.093,483 0.879,484 0.815,485 1.187,486 1.141,487 1.19,488 0.902,489 1.153,490 0.667,491 1.064,492 1.021,493 1.016,494 0.802,495 1.016,496 0.737,497 1.122,498 1.384,499 1.231,500 0.812,501 1.063,502 0.714,503 0.944,504 0.854,505 0.974,506 0.72,507 0.935,508 1.189,509 0.973,510 0.869,511 0.926,512 1.267,513 0.951,514 4.5,515 0.061,516 2.667,517 1.826,518 1.457,519 0.58,520 0.61,521 0.256,522 0.217,523 0.152,524 8614,525 24262,526 2.241,527 36.6,529 13,531 1,532 1,536 1.69,537 2.167,538 3.383,539 -0.294,541 1,545 70.836,546 1.728,547 3.642,548 4.473,549 4.9,550 4.998,551 5.046,552 2.888,553 4.287,554 4.672,555 3.495,556 1135.84,557 8.092,558 13796.7,560 1,562 1,563 219.66,564 1.142,565 4.66,566 0.15,567 0.004,568 0.062,569 0.042,570 0.039,571 0.018,572 0.02,573 0.009,574 0.008,575 0.008,576 0.361,577 0.5,578 0.88,579 0.542,580 126.278,581 -0.073,582 -0.136,583 0.068,584 -0.032,585 -0.072,586 0.009,587 -0.178,588 0.183,589 0.066,590 0.209,591 -0.095,592 0.152,593 -0.088,594 -0.102,595 0.013,596 0.027,597 -0.077,598 0.019,599 -0.019,600 -0.16,601 -0.129,602 -0.172,603 -0.085,604 -0.21,605 0.017,606 -0.059,607 0.012,608 -0.003,609 0.02,610 0.008,611 0.025,612 -0.044,613 -0.183,614 -0.123,615 0.045,616 -0.062,617 0.192,618 0.069,619 0.098,620 -0.028,621 0.236,622 0.032,623 -0.091,624 0.032,625 -0.017,626 -0.037,627 -0.168,628 -0.056,629 0.938,630 2.154,631 0.885,632 21.574,633 1.016,634 1.111,635 2.6,636 6.76,637 0.722,638 3.434,639 3.784,640 4.127,641 4.454,642 4.745,643 4.86,644 5.056,645 5.242,646 5.303,647 5.389,648 6.077,649 0.697,650 365.44,651 3.434,652 4.99,653 5.872,654 6.772,655 7.67,656 8.577,657 9.482,658 10.392,659 11.3,660 12.213,661 7.3,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 3,699 41,700 21,701 2,702 30,704 45,705 19,706 16,707 6,708 6,710 5,711 9,721 16,722 3,733 1,736 15,737 6,738 1,739 7,740 1,743 3,747 0.4,748 3,755 1,759 1,760 4,762 2,763 1,777 2,779 1,781 1,785 26,789 2,790 1,791 3,797 1,801 7.3,806 3,808 12,809 7.9,810 5.639,811 2.351,812 4.418,813 1.539,814 1.054,815 3.966,816 12.621,817 3.726,818 4.416,819 5.116,820 5.814,821 6.457,822 6.893,823 7.417,824 7.934,825 8.235,826 8.637,827 1,828 44,829 9.561,831 4.133,832 7.609,833 18.39,835 15.376,837 2.109,838 54.833,841 1,842 164.795,843 143.845,844 51.582,846 33,848 31.278,849 112.568,850 197.795,851 51.582,852 10.883,853 9.185,854 56.857,855 45.342,856 82.833,857 3.82,858 184.302,860 164.795,861 164.149,862 33,863 31.278,865 164.795,866 33,869 37.958,870 92.62,871 33.571,872 31.278,873 164.795,874 84.581,875 143.845,878 164.795,879 67.486,880 76.359,881 18.011,882 66.571,883 164.795,884 84.581,885 143.845,887 0.582,888 0.353,889 0.201,890 0.115,891 24,892 9,893 0.067,894 3,895 3,896 1.261,897 3.885,898 235.037,899 0.261,900 23,901 122.211,902 1,904 15.941,905 6.468,906 2.837,907 4.15,908 84.581,909 13.384,910 8.908,913 1.642,914 4.005,916 18.011,917 393.222,918 40.5,926 41.665,927 45.534,928 0.322,929 0.68,930 0.835,931 0.915,932 0.933,933 0.942,934 4.965,935 1.455,936 5.855,937 4.384,938 4.466,939 5.103,940 1.751,941 6.698,942 4.319,943 6.192,944 1.388,945 7.425,946 4.091,947 4.007,948 5.007,950 7.627,951 3.817,952 7.523,953 1.292,954 9.094,955 3.096,956 6.084,957 7.446,958 1.466,959 10.765,960 5.819,961 8.894,962 0.726,963 10.823,964 2.997,965 6.479,966 8.225,968 12.552,969 6.157,970 10.3,971 0.62,972 12.592,973 1.703,974 7.997,975 10.123,976 1.234,977 15.202,978 7.619,979 11.732,980 0.403,981 14.388,982 1.451,983 8.798,984 11.321,986 17.353,987 8.354,988 13.185,989 0.008,990 16.204,991 0.675,992 10.09,993 13.006,994 1.028,995 19.844,996 9.594,997 3.269,998 -0.437,999 18.037,1000 0.02,1001 11.085,1002 14.406,1004 22.153,1005 10.52,1006 2.928,1007 11.485,1008 19.882,1009 -1.03,1010 12.288,1011 16.011,1012 0.845,1013 24.596,1014 11.669,1015 2.658,1016 9.252,1017 21.738,1018 4.851,1019 13.374,1020 17.504,1022 26.973,1023 12.686,1024 2.349,1025 8.614,1026 23.603,1027 3.927,1028 14.546,1029 19.081,1030 0.684,1031 29.404,1032 13.801,1033 2.099,1034 7.054,1035 25.475,1036 3.724,1037 15.673,1038 20.618,1040 31.812,1041 14.861,1042 1.807,1043 6.416,1044 27.354,1045 3.082,1046 16.837,1047 22.189,1048 0.546,1049 34.243,1050 15.966,1051 1.618,1052 5.463,1053 29.238,1054 2.805,1055 17.985,1056 23.745,1058 36.666,1059 17.049,1060 7850,1061 13326,1062 20.978,1063 29.597,1064 45.244,1065 46.14,1066 46.211,1067 45.16,1068 45.238,1069 61.468,1070 5.96,1071 133.403,1072 41.744,1073 5.697,1074 5.305,1075 6.551,1076 5.349,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.07,1082 6.851,1083 1.508,1084 1.538,1085 1.54,1086 1.505,1087 1.508,1088 2.049,1089 0.199,1090 4.447,1091 1.391,1092 4.164,1093 4.174,1094 4.399,1095 4.167,1096 5.106,1097 4.124,1098 3.94,1099 3.953,1100 3.9,1101 3.836,1102 4.942,1103 3.846,1104 3.668,1105 3.705,1106 3.627,1107 3.524,1108 4.797,1109 3.539,1110 3.454,1111 3.503,1112 3.378,1113 3.251,1114 4.422,1115 3.259,1116 3.253,1117 3.315,1118 3.31,1119 3.036,1120 4.351,1121 3.023,1122 3.026,1123 3.079,1124 3.066,1125 2.951,1126 4.214,1127 2.908,1128 2.989,1129 3.045,1130 2.87,1131 2.795,1132 3.966,1133 2.801,1134 2.868,1135 2.916,1136 2.746,1137 2.708,1138 3.849,1139 2.702,1140 0.158,1141 0.11,1142 0.229,1143 0.14,1144 0.109,1145 4.753,1146 0.162,1147 3.305,1148 0.029,1149 6.864,1150 0.383,1151 4.209,1152 0.102,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.943,1159 1.925,1160 2.008,1161 2.057,1162 1.155,1163 2.04,1164 1.895,1165 1.881,1166 1.977,1167 2.002,1168 1.111,1169 1.997,1170 1.73,1171 1.717,1172 1.739,1173 1.857,1174 0.945,1175 1.849,1176 1.413,1177 1.361,1178 1.662,1179 1.637,1180 0.869,1181 1.649,1182 1.209,1183 1.154,1184 1.556,1185 1.502,1186 0.577,1187 1.525,1188 0.992,1189 0.958,1190 1.16,1191 1.189,1192 0.251,1193 1.183,1194 0.942,1195 0.882,1196 1.127,1197 1.085,1198 0.216,1199 1.14,1200 0.843,1201 0.792,1202 1.043,1203 1.053,1204 0.152,1205 1.055,1206 4.111,1208 5.451,1209 2.398,1210 7.002,1211 4.844,1212 8.648,1213 7.066,1214 10.34,1216 1.67,1222 1.143,1223 3.379,1224 16.552,1231 28.557,1232 70.836,1233 149.337,1234 183.395,1235 200.905,1236 204.905,1237 206.905,1238 28.398,1239 8.203,1240 65.5,1241 93.74,1242 29,1243 12.727,1244 4.459,1245 3.524,1246 33.946,1247 94,1248 98,1249 0.176,1250 173.214,1251 285.98,1252 414.402,1253 44869,1255 17.51,1256 0.673,1257 0.569,1258 17.863,1259 14.8,1260 12.814,1261 0.427,1262 0.3,1263 8.11,1264 11.764,1265 7.878,1266 6.464,1267 13.222,1268 9.012,1269 11.485,1270 0.267,1271 0.16,1272 12.101,1273 6.9,1274 10.404,1275 0.171,1276 0.089,1277 11.244,1278 5.413,1279 9.137,1280 0.107,1281 0.049,1282 10.149,1283 4.158,1284 7.913,1285 0.069,1286 0.026,1287 8.918,1288 2.996,1289 0.274,1290 85.215,1291 0.218,1292 24.926,1293 0.49,1294 146,1295 453.69,1296 187.194,1297 448.039,1298 629.17,1299 426,1300 177,1301 459.381,1302 219.071,1303 477.423,1304 709.21,1305 450,1306 6.301} {0 CHEMBL2313913,1 1.779,2 9.739,3 4.82,4 23.23,5 89.474,6 9.297,7 0.808,8 3.706,9 3.793,10 3.515,11 3.357,12 4.926,13 3.336,14 4.177,15 4.297,16 3.915,17 3.742,18 5.404,19 3.703,20 4.328,21 4.467,22 3.989,23 3.799,24 5.537,25 3.75,26 4.324,27 4.494,28 3.826,29 3.74,30 5.438,31 3.653,32 4.245,33 4.447,34 3.68,35 3.644,36 5.31,37 3.542,38 4.145,39 4.311,40 3.593,41 3.579,42 5.268,43 3.482,44 4.054,45 4.237,46 3.424,47 3.406,48 5.238,49 3.324,50 3.869,51 4.047,52 3.273,53 3.175,54 5.094,55 3.14,56 0.068,57 0.571,58 4.574,59 3.003,60 5.048,61 3.033,62 0.227,63 0.928,64 9.861,65 5.221,66 16.589,67 5.093,68 0.284,69 1.138,70 14.493,71 6.205,72 25.512,73 5.95,74 0.293,75 1.078,76 16.158,77 6.842,78 26.267,79 6.832,80 0.264,81 0.956,82 16.235,83 6.459,84 23.314,85 7.325,86 0.252,87 0.903,88 16.153,89 6.073,90 20.837,91 5.873,92 0.293,93 0.801,94 12.251,95 5.058,96 23.425,97 5.691,98 0.201,99 0.707,100 9.053,101 3.898,102 15.696,103 3.91,104 6,105 37,106 0.318,107 0.649,108 0.771,109 0.851,110 0.851,111 0.851,112 3.189,113 0.9,114 -5.04,115 -4.94,116 -4.63,119 48.6,123 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 3,164 1,166 2,168 7,172 4,176 3,178 4,182 7,185 1,187 1,190 1,194 4,199 2,202 2,205 1,206 3,211 1,213 4,216 1,217 2,220 1,224 6,237 6,242 2,250 2,255 693,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 15.428,263 9.271,264 16.482,265 12.797,266 12.797,267 12.797,268 12.797,269 12.797,270 9.099,271 22.813,272 4.361,273 13.707,274 3.35,275 1.497,276 0.812,277 0.364,278 0.364,279 0.364,280 3.892,284 1,285 494,286 2.449,288 32.495,289 155.341,291 132.804,295 1.49,296 20.506,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 50,307 224,308 4.753,309 3.297,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.069,317 4.112,318 2.951,319 6.035,320 3.676,321 2.723,322 3.762,323 0.4,324 8.665,325 2.591,326 3.964,327 2.842,328 5.473,329 3.492,330 2.537,331 3.586,333 7.246,334 2.411,335 3.636,336 2.62,337 5.311,338 3.206,339 2.272,340 3.052,342 6.696,343 2.113,344 3.373,345 2.25,346 5.001,347 2.942,348 2.007,349 2.682,351 5.727,352 1.859,353 3.278,354 1.847,355 4.87,356 2.695,357 1.802,358 2.634,360 5.415,361 1.592,362 2.897,363 1.497,364 4.436,365 2.339,366 1.429,367 2.083,369 4.086,370 1.289,371 2.771,372 1.318,373 3.841,374 2.238,375 1.298,376 1.895,378 3.094,379 1.212,380 2.5,381 1.045,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.047,389 1,390 3.274,391 1.544,392 0.654,393 0.874,394 1.562,395 0.572,396 1.617,397 0.711,398 2.902,399 1.283,400 0.418,401 0.489,402 0.7,403 0.357,404 1.431,405 0.451,406 2.822,407 1.023,408 0.125,409 0.159,411 0.289,412 0.11,413 1.029,414 -0.037,415 2.403,416 0.566,417 -0.335,418 -0.434,420 -0.767,421 -0.295,422 0.804,423 -0.348,424 2.254,425 0.28,426 -0.652,427 -0.86,429 -1.595,430 -0.591,431 0.677,432 -0.66,433 2.233,434 0.186,435 -0.729,436 -1.063,438 -2.02,439 -0.65,440 11.152,441 0.485,442 0.516,443 0.022,444 34.25,445 1.489,446 19,447 0.826,448 15.25,449 0.663,450 15.128,451 0.658,452 23.048,453 0.659,454 22.299,455 0.97,456 6.768,457 0.294,458 4.473,459 0.194,460 0.07,462 0.359,464 1,466 0.706,467 0.949,468 0.644,469 0.822,470 0.567,471 0.762,472 0.917,473 0.819,474 0.785,475 0.753,476 0.644,477 0.733,478 1.099,479 1.171,480 1.044,481 1.09,482 1.025,483 0.963,484 0.898,485 1.009,486 1.173,487 1.145,488 0.874,489 1.098,490 0.511,491 0.747,492 0.988,493 0.958,494 0.378,495 0.928,496 0.821,497 0.996,498 1.564,499 1.328,500 0.747,501 1.14,502 0.608,503 0.841,504 1.045,505 1.073,506 0.587,507 1.104,508 1.184,509 1.188,510 0.823,511 1.013,512 1.183,513 1.084,514 4.5,515 0.046,516 2.444,517 1.639,518 1.284,519 0.553,520 0.55,521 0.293,522 0.165,523 0.141,524 5726,525 18368,526 2.168,527 34.3,529 10,531 1,532 1,536 1.658,537 2.06,538 3.254,539 -0.284,545 62.264,546 1.779,547 3.632,548 4.318,549 4.765,550 4.765,551 4.765,552 2.714,553 4.002,554 4.491,555 3.351,556 847.794,557 7.739,558 9356.57,560 1,563 179.525,564 1.302,565 4.469,566 0.173,567 0.006,568 0.066,569 0.044,570 0.041,571 0.02,572 0.021,573 0.013,574 0.009,575 0.012,576 0.406,577 0.33,578 1,579 0.7,580 106.561,581 -0.059,582 -0.069,583 0.048,584 0.017,585 -0.062,586 0.027,587 -0.071,588 0.09,589 0.073,590 0.17,591 0.006,592 0.114,593 -0.142,594 -0.151,595 -0.029,596 -0.083,597 -0.1,598 -0.073,599 -0.083,600 -0.067,601 -0.111,602 -0.118,603 -0.114,604 -0.141,605 0.082,606 0.055,607 0.078,608 0.061,609 0.093,610 0.108,611 -0.079,612 -0.058,613 -0.347,614 -0.204,615 -0.077,616 -0.169,617 0.215,618 0.038,619 -0.093,620 -0.12,621 0.15,622 -0.122,623 -0.111,624 -0.198,625 -0.033,626 -0.165,627 -0.083,628 -0.156,629 1.933,630 5.026,631 0.826,632 18.495,633 1.018,634 1.115,635 3.809,636 14.51,637 0.739,638 3.296,639 3.638,640 3.951,641 4.263,642 4.554,643 4.663,644 4.852,645 5.024,646 5.024,647 5.094,648 5.518,649 0.714,650 325.39,651 3.296,652 4.844,653 5.714,654 6.608,655 7.499,656 8.403,657 9.304,658 10.213,659 11.121,660 12.033,661 8.6,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 1,698 1,699 35,700 21,701 2,702 26,704 38,705 17,706 16,707 5,708 7,710 4,711 7,721 16,722 1,734 1,736 12,737 5,738 1,739 6,740 1,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,783 1,785 23,790 1,791 1,797 1,800 1,801 2.9,806 1,808 11.167,809 6.793,810 5.028,811 1.936,812 4.272,813 1.567,814 1.055,815 3.581,816 11.804,817 3.624,818 4.327,819 5.022,820 5.723,821 6.377,822 6.804,823 7.337,824 7.862,825 8.141,826 8.53,827 0.857,828 37,829 8.448,831 3.64,832 7.812,833 15.975,835 13.183,837 2.312,838 53.167,842 129.482,843 142.771,844 51.582,846 11,847 14.96,848 31.278,849 111.493,850 140.482,851 66.542,852 10.883,854 66.334,855 45.342,856 59.468,857 18.78,858 148.989,860 129.482,861 163.075,862 25.96,863 31.278,865 144.442,866 11,869 28.773,870 100.73,871 33.571,872 31.278,873 144.442,874 62.582,875 142.771,878 129.482,879 56.935,880 85.835,881 18.011,882 59.531,883 129.482,884 77.542,885 142.771,887 0.582,888 0.346,889 0.19,890 0.112,891 20,892 8,893 0.079,894 3,895 2,896 1.211,897 3.562,898 192.908,899 0.211,900 19,901 100.042,902 1,904 14.34,905 5.744,906 2.615,907 4.004,908 77.542,909 13.631,910 8.725,913 1.599,914 2.033,916 18.011,917 349.795,918 36.5,926 35.64,927 39.04,928 0.347,929 0.708,930 0.842,931 0.929,932 0.929,933 0.929,934 4.846,935 1.298,936 5.7,937 4.086,938 4.317,939 5.014,940 1.029,941 6.532,942 4.186,943 6.086,944 1,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.69,952 7.417,953 0.654,954 8.93,955 2.275,956 5.927,957 7.37,958 0.763,959 10.583,960 5.684,961 8.787,962 0.418,963 10.653,964 1.562,965 6.33,966 8.132,968 12.376,969 6.007,970 10.191,971 0.125,972 12.415,973 0.7,974 7.828,975 10.05,976 0.597,977 15.034,978 7.475,979 11.619,980 -0.335,981 14.207,982 0.289,983 8.631,984 11.239,986 17.206,987 8.193,988 13.069,989 -0.652,990 16.021,991 -0.767,992 9.916,993 12.939,994 0.47,995 19.712,996 9.442,997 3.269,998 -0.729,999 17.853,1000 -1.595,1001 10.914,1002 14.339,1004 22.042,1005 10.359,1006 2.723,1007 11.485,1008 19.701,1009 -2.02,1010 12.118,1011 15.954,1012 0.367,1013 24.5,1014 11.517,1015 2.537,1016 8.665,1017 21.56,1018 4.851,1019 13.21,1020 17.452,1022 26.894,1023 12.532,1024 2.272,1025 7.246,1026 23.431,1027 3.762,1028 14.387,1029 19.038,1030 0.283,1031 29.338,1032 13.656,1033 2.007,1034 6.696,1035 25.31,1036 3.586,1037 15.523,1038 20.58,1040 31.758,1041 14.72,1042 1.802,1043 5.727,1044 27.197,1045 3.052,1046 16.695,1047 22.157,1048 0.217,1049 34.198,1050 15.833,1051 1.429,1052 5.415,1053 29.09,1054 2.682,1055 17.852,1056 23.718,1058 36.63,1059 16.922,1060 5424,1061 9833,1062 17.8,1063 25.864,1064 39.066,1065 39.942,1066 40.228,1067 39.047,1068 39.067,1069 55.131,1070 2.52,1071 114.479,1072 36.351,1073 5.513,1074 5.297,1075 6.412,1076 5.339,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.069,1082 8.876,1083 1.503,1084 1.536,1085 1.547,1086 1.502,1087 1.503,1088 2.12,1089 0.097,1090 4.403,1091 1.398,1092 4.163,1093 4.173,1094 4.399,1095 4.166,1096 8.201,1097 4.123,1098 3.899,1099 3.929,1100 3.853,1101 3.819,1102 5.101,1103 3.82,1104 3.657,1105 3.694,1106 3.619,1107 3.521,1108 4.803,1109 3.533,1110 3.262,1111 3.321,1112 3.363,1113 3.041,1114 4.653,1115 3.034,1116 3.068,1117 3.14,1118 3.101,1119 2.956,1120 4.384,1121 2.915,1122 3.011,1123 3.05,1124 2.955,1125 2.828,1126 4.019,1127 2.842,1128 2.854,1129 2.925,1130 2.692,1131 2.735,1132 3.849,1133 2.715,1134 2.828,1135 2.891,1136 2.687,1137 2.685,1138 3.674,1139 2.675,1140 0.183,1141 0.127,1142 0.264,1143 0.162,1144 0.126,1145 4.753,1146 0.187,1147 3.297,1148 0.033,1149 6.864,1150 0.442,1151 4.209,1152 0.118,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.069,1158 1.942,1159 1.924,1160 2.009,1161 2.046,1162 1.154,1163 2.033,1164 1.885,1165 1.861,1166 1.974,1167 1.978,1168 1.06,1169 1.982,1170 1.723,1171 1.708,1172 1.72,1173 1.835,1174 0.886,1175 1.831,1176 1.21,1177 1.155,1178 1.558,1179 1.506,1180 0.577,1181 1.527,1182 0.993,1183 0.959,1184 1.181,1185 1.239,1186 0.251,1187 1.212,1188 0.97,1189 0.906,1190 1.137,1191 1.084,1192 0.218,1193 1.141,1194 0.886,1195 0.821,1196 1.126,1197 1.062,1198 0.195,1199 1.107,1200 0.8,1201 0.748,1202 0.969,1203 0.948,1204 0.07,1205 0.962,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.47,1213 7.066,1214 10.148,1216 1.649,1218 13.026,1223 3.225,1224 5.275,1231 24.983,1232 62.264,1233 127.119,1234 151.119,1235 166.77,1236 166.77,1237 166.77,1238 29.005,1239 7.532,1240 47.04,1241 75.28,1242 23,1243 12.548,1244 4.459,1245 3.524,1246 31.844,1247 75,1248 83,1249 0.212,1250 154.628,1251 252.23,1252 369.053,1253 18496,1254 2.9,1255 15.811,1256 0.687,1257 0.566,1258 15.295,1259 13.024,1260 11.242,1261 0.432,1262 0.3,1263 6.938,1264 10.335,1265 6.709,1266 5.55,1267 11.256,1268 7.799,1269 10.127,1270 0.274,1271 0.163,1272 10.121,1273 6.048,1274 8.891,1275 0.174,1276 0.092,1277 9.321,1278 4.715,1279 7.518,1280 0.107,1281 0.051,1282 8.387,1283 3.57,1284 6.568,1285 0.07,1286 0.027,1287 7.281,1288 2.572,1289 0.326,1290 74.829,1291 0.237,1292 22.349,1293 0.599,1294 126,1295 430.33,1296 163.939,1297 412.706,1298 565.98,1299 388,1300 151,1301 402.805,1302 188.451,1303 420.473,1304 618.24,1305 395,1306 5} {0 CHEMBL2313914,1 1.779,2 9.739,3 5.363,4 28.757,5 96.88,6 11.037,7 0.808,8 3.699,9 3.782,10 3.655,11 3.405,12 4.861,13 3.358,14 4.168,15 4.283,16 4.099,17 3.807,18 5.305,19 3.734,20 4.313,21 4.442,22 4.174,23 3.883,24 5.405,25 3.787,26 4.313,27 4.475,28 3.947,29 3.798,30 5.351,31 3.678,32 4.24,33 4.44,34 3.819,35 3.666,36 5.243,37 3.556,38 4.136,39 4.296,40 3.734,41 3.632,42 5.194,43 3.507,44 4.043,45 4.221,46 3.73,47 3.479,48 5.099,49 3.364,50 3.851,51 4.021,52 3.913,53 3.371,54 4.899,55 3.225,56 0.038,57 0.471,58 1.985,59 2.7,60 4.762,61 2.913,62 0.179,63 0.789,64 6.566,65 5,66 14.162,67 5.061,68 0.187,69 0.935,70 18.879,71 6.631,72 13.3,73 6.346,74 0.201,75 0.942,76 20.969,77 7.197,78 15.312,79 7.16,80 0.177,81 0.885,82 15.907,83 6.574,84 16.111,85 7.21,86 0.192,87 0.813,88 18.46,89 6.335,90 14.602,91 5.989,92 0.223,93 0.689,94 11.763,95 5.195,96 15.224,97 5.674,98 0.143,99 0.542,100 16.101,101 4.497,102 12.402,103 4.236,104 6,105 37,106 0.318,107 0.649,108 0.771,109 0.851,110 0.851,111 0.851,112 3.189,113 0.991,114 -5.27,115 -5.16,116 -4.83,117 1,119 48.6,123 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 3,164 1,166 2,168 9,172 4,176 3,178 6,182 7,185 1,187 1,190 1,194 4,199 3,202 2,205 1,206 3,211 1,213 4,216 1,217 3,220 1,224 6,237 7,242 3,250 3,255 693,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 15.444,263 9.271,264 16.584,265 12.797,266 12.797,267 12.797,268 12.797,269 12.797,270 9.099,271 22.827,272 4.361,273 13.915,274 3.35,275 1.497,276 0.812,277 0.364,278 0.364,279 0.364,280 3.892,284 1,285 494,286 2.449,288 32.495,289 155.341,291 132.804,295 1.49,296 12.651,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 48.25,307 224,308 4.753,309 3.297,310 6.864,311 4.208,312 3.269,313 4.851,314 0.86,315 11.485,316 3.069,317 4.112,318 2.944,319 6.035,320 3.671,321 2.723,322 3.762,323 0.4,324 8.665,325 2.574,326 3.964,327 2.839,328 5.473,329 3.477,330 2.537,331 3.586,333 7.246,334 2.377,335 3.636,336 2.617,337 5.311,338 3.192,339 2.272,340 3.052,342 6.696,343 2.081,344 3.373,345 2.249,346 5.001,347 2.899,348 2.007,349 2.682,351 5.727,352 1.685,353 3.278,354 1.847,355 4.87,356 2.693,357 1.802,358 2.634,360 5.415,361 1.574,362 2.897,363 1.497,364 4.436,365 2.337,366 1.429,367 2.083,369 4.086,370 1.283,371 2.771,372 1.318,373 3.841,374 2.237,375 1.298,376 1.895,378 3.094,379 1.211,380 2.5,381 1.045,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.047,389 1,390 3.274,391 1.542,392 0.654,393 0.874,394 1.562,395 0.567,396 1.617,397 0.708,398 2.902,399 1.279,400 0.418,401 0.489,402 0.7,403 0.353,404 1.431,405 0.446,406 2.822,407 0.992,408 0.125,409 0.159,411 0.289,412 0.094,413 1.029,414 -0.04,415 2.403,416 0.525,417 -0.335,418 -0.434,420 -0.767,421 -0.234,422 0.804,423 -0.348,424 2.254,425 0.274,426 -0.652,427 -0.86,429 -1.595,430 -0.559,431 0.677,432 -0.662,433 2.233,434 0.18,435 -0.729,436 -1.063,438 -2.02,439 -0.629,440 12.2,441 0.53,442 0.516,443 0.022,444 34,445 1.478,446 19,447 0.826,448 15,449 0.652,450 17.175,451 0.747,452 22,453 0.629,454 20.253,455 0.881,456 6.366,457 0.277,458 4.876,459 0.212,460 0.15,462 0.328,466 0.863,467 1.05,468 0.483,469 0.694,470 0.829,471 0.704,472 1.138,473 0.796,474 0.597,475 0.637,476 0.944,477 0.675,478 1.101,479 1.248,480 1.046,481 1.109,482 1.001,483 0.988,484 0.94,485 1.176,486 0.902,487 1.148,488 1.008,489 1.115,490 0.764,491 1.047,492 0.423,493 0.862,494 0.823,495 0.877,496 0.935,497 1.166,498 0.864,499 1.226,500 1.018,501 1.114,502 0.692,503 0.981,504 0.696,505 0.977,506 0.744,507 1.041,508 1.246,509 0.883,510 0.871,511 0.713,512 1.345,513 0.975,514 4.5,515 0.046,516 2.444,517 1.639,518 1.284,519 0.553,520 0.55,521 0.293,522 0.165,523 0.141,524 5726,525 18368,526 2.168,527 34.3,529 10,531 1,532 1,536 1.658,537 2.06,538 3.254,539 -0.284,545 62.264,546 1.779,547 3.632,548 4.318,549 4.765,550 4.765,551 4.765,552 2.714,553 4.002,554 4.491,555 3.351,556 847.794,557 7.739,558 9356.57,563 179.525,564 1.302,565 4.469,566 0.173,567 0.006,568 0.066,569 0.044,570 0.041,571 0.02,572 0.021,573 0.013,574 0.009,575 0.012,576 0.406,577 0.33,578 1,579 0.7,580 106.561,581 -0.071,582 -0.079,583 0.002,584 0.014,585 -0.106,586 0.023,587 -0.078,588 0.21,589 0.019,590 0.187,591 -0.014,592 0.128,593 -0.123,594 -0.229,595 -0.098,596 -0.144,597 -0.105,598 -0.112,599 -0.052,600 -0.152,601 -0.109,602 -0.189,603 -0.119,604 -0.182,605 0.031,606 -0.016,607 0.059,608 0.041,609 0.117,610 0.111,611 -0.072,612 -0.086,613 -0.139,614 -0.213,615 -0.088,616 -0.179,617 0.256,618 0.005,619 0.02,620 -0.073,621 0.25,622 -0.081,623 -0.207,624 0.065,625 0.18,626 0.197,627 -0.287,628 -0.029,629 0.85,630 1.806,631 0.826,632 18.495,633 1.01,634 1.101,635 4.044,636 16.355,637 0.779,638 3.296,639 3.638,640 3.951,641 4.263,642 4.554,643 4.663,644 4.852,645 5.024,646 5.024,647 5.094,648 5.518,649 0.732,650 386.29,651 3.296,652 4.844,653 5.714,654 6.608,655 7.499,656 8.403,657 9.304,658 10.213,659 11.121,660 12.033,661 8.6,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 1,698 1,699 35,700 21,701 2,702 26,703 1,704 38,705 17,706 16,707 5,708 7,710 4,711 7,721 16,722 1,736 12,737 4,738 1,739 6,740 2,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,780 1,781 1,785 23,790 1,791 1,797 1,800 1,801 2.9,806 1,808 11.167,809 6.793,810 5.028,811 1.936,812 4.272,813 1.567,814 1.055,815 3.913,816 11.804,817 3.624,818 4.327,819 5.022,820 5.723,821 6.377,822 6.804,823 7.337,824 7.862,825 8.141,826 8.53,827 0.857,828 37,829 8.426,831 3.569,832 7.583,833 16.224,835 13.376,837 2.083,838 47.917,842 129.482,843 136.705,844 97.536,846 11,848 31.278,849 151.381,850 140.482,851 51.582,852 10.883,854 66.334,855 45.342,856 53.402,857 3.82,858 148.989,859 45.954,860 129.482,861 157.009,862 11,863 31.278,864 45.954,865 129.482,866 11,869 28.773,870 94.665,871 33.571,872 77.232,873 129.482,874 62.582,875 182.659,878 129.482,879 50.87,880 85.835,881 63.965,882 44.571,883 129.482,884 62.582,885 182.659,887 0.582,888 0.346,889 0.19,890 0.112,891 20,892 8,893 0.079,894 3,895 2,896 1.211,897 3.562,898 192.908,899 0.211,900 19,901 100.042,902 1,904 14.851,905 6.06,906 2.792,907 4.256,908 62.582,909 15.641,910 8.86,913 1.663,914 3.699,916 18.011,917 374.723,918 36.5,926 35.356,927 38.542,928 0.347,929 0.708,930 0.842,931 0.929,932 0.929,933 0.929,934 4.846,935 1.298,936 5.7,937 4.086,938 4.317,939 5.014,940 1.029,941 6.532,942 4.161,943 6.086,944 1,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.629,952 7.417,953 0.654,954 8.93,955 2.275,956 5.927,957 7.37,958 0.763,959 10.583,960 5.651,961 8.787,962 0.418,963 10.653,964 1.562,965 6.33,966 8.132,968 12.376,969 5.957,970 10.191,971 0.125,972 12.415,973 0.7,974 7.828,975 10.05,976 0.597,977 15.034,978 7.441,979 11.619,980 -0.335,981 14.207,982 0.289,983 8.631,984 11.239,986 17.206,987 8.155,988 13.069,989 -0.652,990 16.021,991 -0.767,992 9.916,993 12.939,994 0.47,995 19.712,996 9.413,997 3.269,998 -0.729,999 17.853,1000 -1.595,1001 10.914,1002 14.339,1004 22.042,1005 10.33,1006 2.723,1007 11.485,1008 19.701,1009 -2.02,1010 12.118,1011 15.954,1012 0.367,1013 24.5,1014 11.493,1015 2.537,1016 8.665,1017 21.56,1018 4.851,1019 13.21,1020 17.452,1022 26.894,1023 12.511,1024 2.272,1025 7.246,1026 23.431,1027 3.762,1028 14.387,1029 19.038,1030 0.283,1031 29.338,1032 13.637,1033 2.007,1034 6.696,1035 25.31,1036 3.586,1037 15.523,1038 20.58,1040 31.758,1041 14.704,1042 1.802,1043 5.727,1044 27.197,1045 3.052,1046 16.695,1047 22.157,1048 0.217,1049 34.198,1050 15.819,1051 1.429,1052 5.415,1053 29.09,1054 2.682,1055 17.852,1056 23.718,1058 36.63,1059 16.91,1060 5424,1061 9833,1062 17.8,1063 27.279,1064 39.066,1065 39.922,1066 40.228,1067 39.181,1068 39.067,1069 55.131,1070 2.52,1071 114.479,1072 35.733,1073 5.513,1074 5.297,1075 6.412,1076 5.34,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.069,1082 8.876,1083 1.503,1084 1.535,1085 1.547,1086 1.507,1087 1.503,1088 2.12,1089 0.097,1090 4.403,1091 1.374,1092 4.163,1093 4.173,1094 6.88,1095 4.167,1096 5.102,1097 4.123,1098 3.892,1099 3.919,1100 4.399,1101 3.854,1102 4.809,1103 3.834,1104 3.655,1105 3.692,1106 3.761,1107 3.524,1108 4.741,1109 3.535,1110 3.261,1111 3.32,1112 3.601,1113 3.052,1114 4.388,1115 3.039,1116 3.056,1117 3.12,1118 3.357,1119 2.972,1120 4.09,1121 2.923,1122 3.009,1123 3.049,1124 3.07,1125 2.906,1126 3.85,1127 2.868,1128 2.854,1129 2.925,1130 2.832,1131 2.735,1132 3.73,1133 2.715,1134 2.826,1135 2.888,1136 2.687,1137 2.697,1138 3.674,1139 2.68,1140 0.183,1141 0.127,1142 0.264,1143 0.162,1144 0.126,1145 4.753,1146 0.187,1147 3.297,1148 0.033,1149 6.864,1150 0.442,1151 4.208,1152 0.118,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.069,1158 1.942,1159 1.925,1160 2.005,1161 2.042,1162 1.154,1163 2.031,1164 1.889,1165 1.868,1166 1.958,1167 1.964,1168 1.08,1169 1.976,1170 1.724,1171 1.71,1172 1.717,1173 1.825,1174 0.891,1175 1.828,1176 1.21,1177 1.156,1178 1.557,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.96,1184 1.181,1185 1.203,1186 0.252,1187 1.197,1188 0.978,1189 0.924,1190 1.127,1191 1.084,1192 0.22,1193 1.139,1194 0.886,1195 0.821,1196 1.111,1197 1.062,1198 0.218,1199 1.107,1200 0.803,1201 0.754,1202 0.968,1203 0.94,1204 0.088,1205 0.959,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.47,1213 7.066,1214 10.148,1215 3.444,1216 1.675,1223 3.371,1224 5.306,1231 25.625,1232 62.264,1233 127.119,1234 151.119,1235 166.77,1236 166.77,1237 166.77,1238 24.1,1239 7.532,1240 47.04,1241 75.28,1242 23,1243 12.548,1244 4.459,1245 3.524,1246 31.844,1247 75,1248 83,1249 0.212,1250 165.344,1251 265.44,1252 395.199,1253 18496,1254 2.9,1255 15.811,1256 0.687,1257 0.635,1258 17.165,1259 14.61,1260 11.242,1261 0.432,1262 0.33,1263 7.012,1264 9.88,1265 6.709,1266 5.55,1267 12.227,1268 8.592,1269 10.127,1270 0.274,1271 0.188,1272 11.559,1273 6.964,1274 8.891,1275 0.174,1276 0.103,1277 10.309,1278 5.244,1279 7.518,1280 0.107,1281 0.055,1282 8.862,1283 3.835,1284 6.568,1285 0.07,1286 0.03,1287 8.044,1288 2.857,1289 0.326,1290 82.335,1291 0.237,1292 22.349,1293 0.599,1294 126,1295 362.873,1296 225.978,1297 412.706,1298 565.98,1299 388,1300 151,1301 383.205,1302 213.805,1303 420.473,1304 618.24,1305 395,1306 5} {0 CHEMBL2313915,1 1.779,2 9.739,3 5.279,4 27.864,5 94.062,6 9.767,7 0.808,8 3.701,9 3.784,10 3.555,11 3.388,12 4.878,13 3.351,14 4.171,15 4.286,16 3.968,17 3.785,18 5.332,19 3.724,20 4.318,21 4.447,22 4.042,23 3.855,24 5.441,25 3.776,26 4.317,27 4.479,28 3.86,29 3.778,30 5.374,31 3.67,32 4.242,33 4.441,34 3.719,35 3.659,36 5.261,37 3.552,38 4.139,39 4.3,40 3.634,41 3.614,42 5.214,43 3.499,44 4.046,45 4.224,46 3.516,47 3.454,48 5.137,49 3.352,50 3.857,51 4.026,52 3.49,53 3.307,54 4.953,55 3.2,56 0.047,57 0.482,58 3.962,59 2.742,60 4.757,61 2.94,62 0.194,63 0.798,64 9.182,65 4.945,66 15.079,67 5.049,68 0.217,69 0.943,70 15.64,71 6.121,72 16.375,73 6.162,74 0.23,75 0.946,76 17.313,77 6.777,78 17.711,79 7.007,80 0.206,81 0.885,82 16.241,83 6.487,84 18.003,85 7.245,86 0.211,87 0.814,88 16.776,89 6.063,90 15.917,91 5.923,92 0.246,93 0.688,94 12.405,95 5.037,96 17.257,97 5.671,98 0.162,99 0.541,100 11.403,101 3.905,102 13.295,103 4.099,104 6,105 37,106 0.318,107 0.649,108 0.771,109 0.851,110 0.851,111 0.851,112 3.189,113 0.944,114 -5.16,115 -5.05,116 -4.73,119 48.6,123 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 3,164 1,166 2,168 9,172 4,176 3,178 6,182 7,185 1,187 1,190 1,194 4,199 3,202 2,205 1,206 3,211 1,213 4,216 1,217 3,220 1,224 6,237 7,242 3,250 3,255 693,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 15.401,263 9.271,264 16.556,265 12.797,266 12.797,267 12.797,268 12.797,269 12.797,270 9.099,271 22.792,272 4.361,273 13.858,274 3.35,275 1.497,276 0.812,277 0.364,278 0.364,279 0.364,280 3.892,281 1,284 1,285 494,286 2.449,288 32.495,289 155.341,291 132.804,295 1.49,296 14.658,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 48.833,307 224,308 4.753,309 3.297,310 6.864,311 4.208,312 3.269,313 4.851,314 0.86,315 11.485,316 3.069,317 4.112,318 2.965,319 6.035,320 3.672,321 2.723,322 3.762,323 0.4,324 8.665,325 2.577,326 3.964,327 2.848,328 5.473,329 3.48,330 2.537,331 3.586,333 7.246,334 2.384,335 3.636,336 2.624,337 5.311,338 3.195,339 2.272,340 3.052,342 6.696,343 2.087,344 3.373,345 2.253,346 5.001,347 2.909,348 2.007,349 2.682,351 5.727,352 1.732,353 3.278,354 1.848,355 4.87,356 2.694,357 1.802,358 2.634,360 5.415,361 1.583,362 2.897,363 1.498,364 4.436,365 2.338,366 1.429,367 2.083,369 4.086,370 1.285,371 2.771,372 1.318,373 3.841,374 2.237,375 1.298,376 1.895,378 3.094,379 1.211,380 2.5,381 1.046,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.047,389 1,390 3.274,391 1.542,392 0.654,393 0.874,394 1.562,395 0.569,396 1.617,397 0.717,398 2.902,399 1.28,400 0.418,401 0.489,402 0.7,403 0.354,404 1.431,405 0.458,406 2.822,407 0.999,408 0.125,409 0.159,411 0.289,412 0.1,413 1.029,414 -0.033,415 2.403,416 0.534,417 -0.335,418 -0.434,420 -0.767,421 -0.257,422 0.804,423 -0.347,424 2.254,425 0.275,426 -0.652,427 -0.86,429 -1.595,430 -0.573,431 0.677,432 -0.658,433 2.233,434 0.181,435 -0.729,436 -1.063,438 -2.02,439 -0.635,440 11.581,441 0.504,442 0.516,443 0.022,444 34.25,445 1.489,446 19,447 0.826,448 15.25,449 0.663,450 15.833,451 0.688,452 22.619,453 0.646,454 21.594,455 0.939,456 6.637,457 0.289,458 4.604,459 0.2,460 0.105,462 0.345,466 0.811,467 1.071,468 0.577,469 0.765,470 0.743,471 0.726,472 1.065,473 0.822,474 0.706,475 0.684,476 0.832,477 0.695,478 1.107,479 1.248,480 1.064,481 1.116,482 1.021,483 0.981,484 0.932,485 1.166,486 1.103,487 1.195,488 0.987,489 1.118,490 0.672,491 1.027,492 0.781,493 0.964,494 0.662,495 0.904,496 0.901,497 1.166,498 1.332,499 1.335,500 0.943,501 1.132,502 0.655,503 0.97,504 0.904,505 1.049,506 0.663,507 1.068,508 1.221,509 0.947,510 0.752,511 0.764,512 1.28,513 1.003,514 4.5,515 0.046,516 2.444,517 1.639,518 1.284,519 0.553,520 0.55,521 0.293,522 0.165,523 0.141,524 5726,525 18368,526 2.168,527 34.3,529 10,531 1,532 1,536 1.658,537 2.06,538 3.254,539 -0.284,545 62.264,546 1.779,547 3.632,548 4.318,549 4.765,550 4.765,551 4.765,552 2.714,553 4.002,554 4.491,555 3.351,556 847.794,557 7.739,558 9356.57,563 179.525,564 1.302,565 4.469,566 0.173,567 0.006,568 0.066,569 0.044,570 0.041,571 0.02,572 0.021,573 0.013,574 0.009,575 0.012,576 0.406,577 0.33,578 1,579 0.7,580 106.561,581 -0.069,582 -0.083,583 0.027,584 0.017,585 -0.103,586 0.024,587 -0.079,588 0.193,589 0.056,590 0.203,591 -0.003,592 0.127,593 -0.138,594 -0.224,595 -0.083,596 -0.136,597 -0.122,598 -0.102,599 -0.069,600 -0.139,601 -0.14,602 -0.185,603 -0.143,604 -0.173,605 0.056,606 0.002,607 0.083,608 0.051,609 0.127,610 0.112,611 -0.079,612 -0.085,613 -0.294,614 -0.234,615 -0.102,616 -0.179,617 0.252,618 0.015,619 -0.032,620 -0.097,621 0.248,622 -0.095,623 -0.17,624 -0.002,625 0.133,626 0.099,627 -0.21,628 -0.067,629 0.961,630 1.817,631 0.826,632 18.495,633 1.013,634 1.104,635 3.927,636 15.424,637 0.765,638 3.296,639 3.638,640 3.951,641 4.263,642 4.554,643 4.663,644 4.852,645 5.024,646 5.024,647 5.094,648 5.518,649 0.727,650 341.84,651 3.296,652 4.844,653 5.714,654 6.608,655 7.499,656 8.403,657 9.304,658 10.213,659 11.121,660 12.033,661 8.6,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 1,698 1,699 35,700 21,701 2,702 26,704 38,705 17,706 16,707 5,708 7,710 4,711 7,712 1,721 16,722 1,736 12,737 4,738 1,739 6,740 2,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,782 1,785 23,790 1,791 1,797 1,800 1,801 2.9,806 1,808 11.167,809 6.793,810 5.028,811 1.936,812 4.272,813 1.567,814 1.049,815 3.792,816 11.804,817 3.624,818 4.327,819 5.022,820 5.723,821 6.377,822 6.804,823 7.337,824 7.862,825 8.141,826 8.53,827 0.857,828 37,829 8.418,831 3.581,832 7.643,833 16.114,835 13.291,837 2.143,838 49.278,842 129.482,843 137.15,844 51.582,845 39.149,846 11,848 31.278,849 105.873,850 179.631,851 51.582,852 10.883,854 66.334,855 45.342,856 53.847,857 3.82,858 148.989,859 39.149,860 129.482,861 157.455,862 11,863 70.426,865 129.482,866 11,869 28.773,870 95.11,871 72.72,872 31.278,873 129.482,874 62.582,875 176.299,878 129.482,879 51.315,880 85.835,881 18.011,882 83.72,883 129.482,884 62.582,885 176.299,887 0.582,888 0.346,889 0.19,890 0.112,891 20,892 8,893 0.079,894 3,895 2,896 1.211,897 3.562,898 192.908,899 0.211,900 19,901 100.042,902 1,904 14.669,905 5.947,906 2.728,907 4.191,908 62.582,909 15.12,910 8.825,913 1.647,914 3.267,916 18.011,917 368.363,918 36.5,926 35.451,927 38.644,928 0.347,929 0.708,930 0.842,931 0.929,932 0.929,933 0.929,934 4.846,935 1.298,936 5.7,937 4.086,938 4.317,939 5.014,940 1.029,941 6.532,942 4.168,943 6.086,944 1,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.644,952 7.417,953 0.654,954 8.93,955 2.275,956 5.927,957 7.37,958 0.763,959 10.583,960 5.658,961 8.787,962 0.418,963 10.653,964 1.562,965 6.33,966 8.132,968 12.376,969 5.968,970 10.191,971 0.125,972 12.415,973 0.7,974 7.828,975 10.05,976 0.597,977 15.034,978 7.448,979 11.619,980 -0.335,981 14.207,982 0.289,983 8.631,984 11.239,986 17.206,987 8.163,988 13.069,989 -0.652,990 16.021,991 -0.767,992 9.916,993 12.939,994 0.47,995 19.712,996 9.419,997 3.269,998 -0.729,999 17.853,1000 -1.595,1001 10.914,1002 14.339,1004 22.042,1005 10.336,1006 2.723,1007 11.485,1008 19.701,1009 -2.02,1010 12.118,1011 15.954,1012 0.367,1013 24.5,1014 11.498,1015 2.537,1016 8.665,1017 21.56,1018 4.851,1019 13.21,1020 17.452,1022 26.894,1023 12.515,1024 2.272,1025 7.246,1026 23.431,1027 3.762,1028 14.387,1029 19.038,1030 0.283,1031 29.338,1032 13.641,1033 2.007,1034 6.696,1035 25.31,1036 3.586,1037 15.523,1038 20.58,1040 31.758,1041 14.707,1042 1.802,1043 5.727,1044 27.197,1045 3.052,1046 16.695,1047 22.157,1048 0.217,1049 34.198,1050 15.821,1051 1.429,1052 5.415,1053 29.09,1054 2.682,1055 17.852,1056 23.718,1058 36.63,1059 16.912,1060 5424,1061 9833,1062 17.8,1063 26.784,1064 39.066,1065 39.976,1066 40.228,1067 39.141,1068 39.067,1069 55.131,1070 2.52,1071 114.479,1072 35.905,1073 5.513,1074 5.297,1075 6.412,1076 5.34,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.069,1082 8.876,1083 1.503,1084 1.538,1085 1.547,1086 1.505,1087 1.503,1088 2.12,1089 0.097,1090 4.403,1091 1.381,1092 4.163,1093 4.173,1094 4.399,1095 4.167,1096 5.105,1097 4.123,1098 3.894,1099 3.921,1100 3.989,1101 3.836,1102 4.937,1103 3.829,1104 3.656,1105 3.692,1106 3.636,1107 3.522,1108 4.796,1109 3.534,1110 3.261,1111 3.32,1112 3.4,1113 3.044,1114 4.42,1115 3.037,1116 3.059,1117 3.123,1118 3.312,1119 2.961,1120 4.348,1121 2.919,1122 3.01,1123 3.049,1124 3.051,1125 2.868,1126 3.955,1127 2.859,1128 2.854,1129 2.925,1130 2.757,1131 2.735,1132 3.848,1133 2.715,1134 2.826,1135 2.888,1136 2.687,1137 2.691,1138 3.674,1139 2.678,1140 0.183,1141 0.127,1142 0.264,1143 0.162,1144 0.126,1145 4.753,1146 0.187,1147 3.297,1148 0.033,1149 6.864,1150 0.442,1151 4.208,1152 0.118,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.069,1158 1.942,1159 1.924,1160 2.006,1161 2.043,1162 1.154,1163 2.032,1164 1.888,1165 1.866,1166 1.967,1167 1.967,1168 1.07,1169 1.978,1170 1.723,1171 1.709,1172 1.718,1173 1.828,1174 0.889,1175 1.829,1176 1.21,1177 1.155,1178 1.557,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.96,1184 1.181,1185 1.21,1186 0.251,1187 1.201,1188 0.975,1189 0.92,1190 1.128,1191 1.084,1192 0.218,1193 1.14,1194 0.886,1195 0.821,1196 1.122,1197 1.062,1198 0.206,1199 1.107,1200 0.802,1201 0.753,1202 0.968,1203 0.942,1204 0.08,1205 0.96,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.47,1213 7.066,1214 10.148,1216 1.668,1217 5.928,1223 3.333,1224 5.298,1231 25.428,1232 62.264,1233 127.119,1234 151.119,1235 166.77,1236 166.77,1237 166.77,1238 24.931,1239 7.532,1240 47.04,1241 75.28,1242 23,1243 12.548,1244 4.459,1245 3.524,1246 31.844,1247 75,1248 83,1249 0.212,1250 161.763,1251 261.37,1252 386.462,1253 18496,1254 2.9,1255 15.811,1256 0.687,1257 0.599,1258 16.665,1259 13.78,1260 11.242,1261 0.432,1262 0.315,1263 6.994,1264 10.145,1265 6.709,1266 5.55,1267 11.938,1268 8.177,1269 10.127,1270 0.274,1271 0.175,1272 11.151,1273 6.485,1274 8.891,1275 0.174,1276 0.097,1277 10.02,1278 4.967,1279 7.518,1280 0.107,1281 0.053,1282 8.696,1283 3.696,1284 6.568,1285 0.07,1286 0.029,1287 7.808,1288 2.708,1289 0.326,1290 77.139,1291 0.237,1292 22.349,1293 0.599,1294 126,1295 370.422,1296 175.627,1297 412.706,1298 565.98,1299 388,1300 151,1301 386.334,1302 195.3,1303 420.473,1304 618.24,1305 395,1306 5} {0 CHEMBL2313916,1 1.779,2 9.174,3 5.279,4 27.864,5 94.062,6 9.767,7 0.808,8 3.701,9 3.784,10 3.555,11 3.388,12 4.878,13 3.351,14 4.171,15 4.286,16 3.968,17 3.785,18 5.332,19 3.724,20 4.318,21 4.447,22 4.042,23 3.855,24 5.434,25 3.776,26 4.318,27 4.479,28 3.923,29 3.783,30 5.398,31 3.681,32 4.25,33 4.44,34 3.72,35 3.683,36 5.277,37 3.57,38 4.14,39 4.299,40 3.712,41 3.62,42 5.245,43 3.512,44 4.052,45 4.224,46 3.71,47 3.507,48 5.149,49 3.392,50 3.864,51 4.025,52 3.357,53 3.286,54 5,55 3.194,56 0.047,57 0.482,58 3.962,59 2.742,60 4.757,61 2.94,62 0.194,63 0.798,64 9.182,65 4.945,66 15.106,67 5.049,68 0.217,69 0.943,70 15.64,71 6.121,72 16.082,73 6.162,74 0.244,75 0.941,76 16.783,77 6.755,78 17.836,79 7.049,80 0.208,81 0.878,82 18.062,83 6.564,84 19.267,85 7.13,86 0.225,87 0.81,88 16.247,89 6.041,90 16.87,91 5.966,92 0.233,93 0.683,94 14.787,95 5.124,96 15.491,97 5.601,98 0.19,99 0.535,100 10.312,101 3.873,102 16.391,103 4.096,104 6,105 37,106 0.318,107 0.649,108 0.791,109 0.892,110 0.892,111 0.892,112 3.189,113 0.944,114 -5.16,115 -5.05,116 -4.73,119 48.6,123 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 3,164 1,166 2,168 10,172 4,176 2,178 4,182 7,185 1,187 3,190 2,194 3,199 2,202 2,205 1,206 5,211 1,213 3,216 1,217 1,220 1,224 7,229 2,237 6,242 2,250 5,255 684,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 15.401,263 9.304,264 16.556,265 12.813,266 12.813,267 12.813,268 12.813,269 12.813,270 9.105,271 24.058,272 4.376,273 13.865,274 3.35,275 1.497,276 0.697,277 0.136,278 0.136,279 0.136,280 3.892,281 1,284 1,285 464,286 2.449,288 32.073,289 154.107,291 131.068,295 1.501,296 14.841,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 48.833,307 211,308 4.753,309 3.298,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.124,318 3.001,319 6.036,320 3.685,321 2.738,322 3.77,323 0.4,324 8.678,325 2.583,326 3.98,327 2.84,328 5.526,329 3.494,330 2.552,331 3.61,333 7.437,334 2.39,335 3.628,336 2.589,337 5.342,338 3.187,339 2.259,340 3.045,342 6.771,343 2.086,344 3.305,345 2.207,346 4.997,347 2.821,348 1.921,349 2.657,351 5.57,352 1.672,353 3.245,354 1.845,355 4.757,356 2.684,357 1.793,358 2.517,360 5.222,361 1.565,362 2.896,363 1.502,364 4.414,365 2.338,366 1.429,367 2.082,369 4.051,370 1.284,371 2.775,372 1.328,373 3.841,374 2.242,375 1.302,376 1.901,378 3.094,379 1.213,380 2.654,381 1.237,382 3.483,383 2.157,384 1.177,385 1.727,386 2.594,387 1.135,388 2.038,389 1.034,390 3.266,391 1.529,392 0.639,393 0.857,394 1.519,395 0.559,396 1.609,397 0.598,398 2.885,399 1.266,400 0.404,401 0.477,402 0.672,403 0.344,404 1.303,405 0.212,406 2.819,407 0.889,408 -0.031,409 -0.041,411 -0.081,412 -0.029,413 0.947,414 0.09,415 2.403,416 0.442,417 -0.405,418 -0.512,420 -0.902,421 -0.257,422 0.813,423 -0.318,424 2.253,425 0.324,426 -0.563,427 -0.742,429 -1.366,430 -0.502,431 0.795,432 -0.573,433 2.232,434 0.243,435 -0.687,436 -0.974,438 -1.921,439 -0.619,440 11.581,441 0.504,442 0.516,443 0.022,444 34.25,445 1.489,446 19,447 0.826,448 15.25,449 0.663,450 15.94,451 0.693,452 22.619,453 0.646,454 21.631,455 0.94,456 6.637,457 0.289,458 4.604,459 0.2,460 0.105,462 0.345,466 0.811,467 1.071,468 0.577,469 0.765,470 0.743,471 0.726,472 1.065,473 0.822,474 0.706,475 0.684,476 0.829,477 0.695,478 1.107,479 1.248,480 1.064,481 1.116,482 1.061,483 0.981,484 0.819,485 1.171,486 1.009,487 1.169,488 0.831,489 1.072,490 0.937,491 1.012,492 1.059,493 1.017,494 0.991,495 0.962,496 0.765,497 1.172,498 1.219,499 1.304,500 0.754,501 1.077,502 0.782,503 0.929,504 0.792,505 0.883,506 0.831,507 0.977,508 1.286,509 0.983,510 1.159,511 1.008,512 1.37,513 1.129,514 4.5,515 0.061,516 2.222,517 1.889,518 1.204,519 0.553,520 0.551,521 0.228,522 0.21,523 0.076,524 5650,525 17856,526 2.168,527 34.3,529 10,531 1,532 1,536 1.659,537 2.06,538 3.195,539 -0.284,545 62.264,546 1.779,547 3.632,548 4.432,549 4.993,550 4.993,551 4.993,552 2.674,553 4.176,554 4.493,555 3.312,556 837.844,557 7.746,558 9241.33,563 179.525,564 1.302,565 4.469,566 0.173,567 0.008,568 0.06,569 0.051,570 0.038,571 0.02,572 0.02,573 0.01,574 0.012,575 0.007,576 0.398,577 0.33,578 1,579 0.7,580 106.281,581 -0.069,582 -0.083,583 0.027,584 0.017,585 -0.103,586 0.024,587 -0.079,588 0.193,589 0.056,590 0.203,592 0.127,593 -0.138,594 -0.224,595 -0.083,596 -0.136,597 -0.163,598 -0.102,599 0.047,600 -0.144,601 -0.044,602 -0.158,603 0.017,604 -0.126,605 -0.114,606 0.007,607 -0.07,608 0.007,609 -0.08,610 0.043,611 0.06,612 -0.091,613 -0.178,614 -0.202,615 0.091,616 -0.122,617 0.184,618 0.052,619 0.165,620 0.081,621 0.155,622 -0.007,623 -0.16,624 -0.047,625 -0.185,626 -0.144,627 -0.202,628 -0.204,629 0.985,630 1.932,631 0.826,632 18.053,633 1.013,634 1.104,635 3.927,636 15.424,637 0.765,638 3.296,639 3.638,640 3.951,641 4.277,642 4.543,643 4.673,644 4.852,645 5.024,646 5.03,647 5.1,648 5.42,649 0.727,650 341.84,651 3.296,652 4.844,653 5.714,654 6.611,655 7.501,656 8.407,657 9.307,658 10.219,659 11.124,660 12.04,661 8.6,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 1,698 1,699 35,700 21,701 2,702 26,704 38,705 17,706 16,707 5,708 7,710 4,711 7,712 1,721 16,722 1,736 12,737 4,738 1,739 6,740 2,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,782 1,785 23,790 1,791 1,797 1,800 1,801 2.9,806 1,808 11.167,809 6.793,810 5.028,811 1.936,812 4.282,813 1.569,814 1.049,815 3.792,816 11.814,817 3.624,818 4.327,819 5.022,820 5.731,821 6.369,822 6.809,823 7.337,824 7.862,825 8.144,826 8.534,827 1,828 37,829 8.419,831 3.584,832 7.643,833 16.114,835 13.291,837 2.143,838 49.278,842 129.482,843 137.15,844 51.582,845 39.149,846 11,848 31.278,849 105.873,850 179.631,851 51.582,852 10.883,854 66.334,855 45.342,856 53.847,857 3.82,858 148.989,859 39.149,860 129.482,861 157.455,862 11,863 70.426,865 129.482,866 11,869 28.773,870 95.11,871 72.72,872 31.278,873 129.482,874 62.582,875 176.299,878 129.482,879 51.315,880 85.835,881 18.011,882 83.72,883 129.482,884 62.582,885 176.299,887 0.58,888 0.345,889 0.195,890 0.11,891 20,892 8,893 0.079,894 3,895 2,896 1.211,897 3.548,898 193.597,899 0.211,900 19,901 104.042,902 1,904 14.669,905 5.947,906 2.728,907 4.166,908 62.582,909 15.134,910 8.821,913 1.641,914 3.188,916 18.011,917 368.363,918 36.5,926 35.451,927 38.644,928 0.347,929 0.708,930 0.864,931 0.974,932 0.974,933 0.974,934 4.846,935 1.302,936 5.7,937 4.051,938 4.317,939 5.014,940 1.029,941 6.535,942 4.168,943 6.086,944 1.177,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.644,952 7.417,953 0.639,954 8.93,955 2.594,956 5.927,957 7.37,958 0.763,959 10.592,960 5.658,961 8.787,962 0.404,963 10.654,964 1.519,965 6.33,966 8.132,968 12.382,969 5.968,970 10.191,971 -0.031,972 12.418,973 0.672,974 7.831,975 10.051,976 0.597,977 15.043,978 7.45,979 11.62,980 -0.405,981 14.21,982 -0.081,983 8.636,984 11.242,986 17.212,987 8.166,988 13.07,989 -0.563,990 16.025,991 -0.902,992 9.922,993 12.942,994 0.47,995 19.719,996 9.422,997 3.269,998 -0.687,999 17.858,1000 -1.366,1001 10.922,1002 14.343,1004 22.047,1005 10.34,1006 2.738,1007 11.485,1008 19.706,1009 -1.921,1010 12.126,1011 15.958,1012 0.367,1013 24.504,1014 11.502,1015 2.552,1016 8.678,1017 21.566,1018 4.851,1019 13.218,1020 17.455,1022 26.897,1023 12.519,1024 2.259,1025 7.437,1026 23.437,1027 3.77,1028 14.395,1029 19.041,1030 0.283,1031 29.34,1032 13.645,1033 1.921,1034 6.771,1035 25.316,1036 3.61,1037 15.531,1038 20.582,1040 31.76,1041 14.711,1042 1.793,1043 5.57,1044 27.202,1045 3.045,1046 16.702,1047 22.159,1048 0.217,1049 34.2,1050 15.825,1051 1.429,1052 5.222,1053 29.095,1054 2.657,1055 17.859,1056 23.72,1058 36.631,1059 16.915,1060 5354,1061 9641,1062 17.8,1063 26.784,1064 39.129,1065 39.615,1066 40.209,1067 39.085,1068 38.969,1069 54.99,1070 2.52,1071 114.186,1072 35.799,1073 5.514,1074 5.298,1075 6.422,1076 5.34,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.07,1082 8.756,1083 1.505,1084 1.524,1085 1.547,1086 1.503,1087 1.499,1088 2.115,1089 0.097,1090 4.392,1091 1.377,1092 4.163,1093 4.173,1094 4.399,1095 4.167,1096 5.105,1097 4.123,1098 3.894,1099 3.921,1100 3.991,1101 3.837,1102 4.936,1103 3.829,1104 3.656,1105 3.692,1106 3.632,1107 3.522,1108 4.796,1109 3.534,1110 3.26,1111 3.32,1112 3.387,1113 3.042,1114 4.412,1115 3.034,1116 3.053,1117 3.124,1118 3.307,1119 2.958,1120 4.347,1121 2.915,1122 3.008,1123 3.049,1124 3.064,1125 2.851,1126 4.025,1127 2.844,1128 2.877,1129 2.921,1130 2.867,1131 2.782,1132 3.85,1133 2.76,1134 2.824,1135 2.889,1136 2.679,1137 2.686,1138 3.687,1139 2.674,1140 0.183,1141 0.127,1142 0.264,1143 0.162,1144 0.126,1145 4.753,1146 0.187,1147 3.298,1148 0.033,1149 6.864,1150 0.442,1151 4.209,1152 0.118,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.942,1159 1.924,1160 2.006,1161 2.043,1162 1.154,1163 2.031,1164 1.888,1165 1.866,1166 1.967,1167 1.967,1168 1.07,1169 1.978,1170 1.724,1171 1.709,1172 1.72,1173 1.828,1174 0.889,1175 1.829,1176 1.21,1177 1.155,1178 1.558,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.959,1184 1.193,1185 1.228,1186 0.253,1187 1.222,1188 0.984,1189 0.918,1190 1.127,1191 1.084,1192 0.244,1193 1.141,1194 0.867,1195 0.824,1196 1.065,1197 1.01,1198 0.155,1199 1.052,1200 0.805,1201 0.752,1202 0.97,1203 0.945,1204 0.097,1205 0.964,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.472,1213 7.066,1214 10.151,1216 1.667,1217 6.043,1223 3.321,1224 5.298,1231 25.428,1232 62.264,1233 127.119,1234 155.119,1235 174.77,1236 174.77,1237 174.77,1238 25.089,1239 7.532,1240 47.04,1241 75.28,1242 23,1243 12.553,1244 4.459,1245 3.524,1246 31.802,1247 74,1248 78,1249 0.215,1250 161.763,1251 261.37,1252 386.462,1253 18496,1254 2.9,1255 15.811,1256 0.687,1257 0.599,1258 16.665,1259 13.78,1260 11.242,1261 0.432,1262 0.315,1263 6.994,1264 10.145,1265 6.708,1266 5.552,1267 11.938,1268 8.177,1269 10.139,1270 0.274,1271 0.175,1272 11.163,1273 6.488,1274 8.801,1275 0.173,1276 0.097,1277 9.903,1278 4.931,1279 7.727,1280 0.109,1281 0.053,1282 9.007,1283 3.794,1284 6.416,1285 0.069,1286 0.029,1287 7.586,1288 2.652,1289 0.329,1290 77.139,1291 0.237,1292 22.274,1293 0.612,1294 126,1295 370.422,1296 175.627,1297 412.771,1298 566,1299 388,1300 151,1301 386.334,1302 195.3,1303 420.61,1304 618.53,1305 395,1306 5} {0 CHEMBL2313917,1 1.779,2 9.13,3 5.279,4 27.864,5 94.062,6 9.767,7 0.808,8 3.701,9 3.784,10 3.555,11 3.388,12 4.879,13 3.351,14 4.171,15 4.286,16 3.968,17 3.785,18 5.324,19 3.724,20 4.319,21 4.447,22 4.095,23 3.859,24 5.457,25 3.785,26 4.325,27 4.477,28 3.923,29 3.805,30 5.412,31 3.696,32 4.251,33 4.44,34 3.792,35 3.689,36 5.306,37 3.581,38 4.145,39 4.299,40 3.874,41 3.665,42 5.256,43 3.546,44 4.057,45 4.222,46 3.605,47 3.491,48 5.187,49 3.388,50 3.85,51 4.027,52 3.224,53 3.253,54 4.924,55 3.159,56 0.047,57 0.482,58 3.962,59 2.742,60 4.784,61 2.94,62 0.194,63 0.798,64 9.182,65 4.945,66 14.813,67 5.049,68 0.231,69 0.938,70 15.111,71 6.099,72 16.207,73 6.204,74 0.245,75 0.934,76 18.604,77 6.832,78 19.1,79 6.934,80 0.222,81 0.873,82 17.532,83 6.542,84 20.221,85 7.172,86 0.212,87 0.804,88 18.629,89 6.128,90 15.104,91 5.896,92 0.261,93 0.677,94 13.696,95 5.092,96 18.587,97 5.598,98 0.15,99 0.551,100 8.786,101 3.826,102 13.483,103 4.145,104 6,105 37,106 0.318,107 0.649,108 0.781,109 0.881,110 0.892,111 0.892,112 3.19,113 0.944,114 -5.16,115 -5.05,116 -4.73,119 48.6,123 1,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 5,161 1,162 3,164 1,166 1,168 8,172 4,176 4,178 5,182 6,185 1,187 2,190 2,194 5,199 2,202 1,205 1,206 3,211 1,213 4,216 1,217 3,220 1,224 6,229 1,237 8,242 1,250 5,255 675,256 15.955,257 15.955,258 15.955,259 15.955,260 15.955,261 13.497,262 13.734,263 9.327,264 16.581,265 12.791,266 12.791,267 12.791,268 12.791,269 12.791,270 9.079,271 19.982,272 4.356,273 13.815,274 3.35,275 1.497,276 0.754,277 0.193,278 0.136,279 0.136,280 3.892,281 1,284 1,285 462,286 2.449,288 31.697,289 153.047,291 129.558,295 1.452,296 15.136,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 48.833,307 210,308 4.753,309 3.312,310 6.865,311 4.21,312 3.27,313 4.851,314 0.86,315 11.488,316 3.07,317 4.201,318 3.151,319 6.124,320 3.765,321 2.833,322 3.83,323 0.4,324 8.956,325 2.619,326 4.015,327 2.828,328 5.915,329 3.526,330 2.585,331 3.672,333 8.181,334 2.411,335 3.617,336 2.501,337 5.371,338 3.175,339 2.241,340 3.036,342 6.824,343 2.083,344 3.288,345 1.949,346 4.995,347 2.716,348 1.82,349 2.654,351 5.511,352 1.616,353 2.96,354 1.789,355 4.534,356 2.482,357 1.548,358 2.149,360 4.388,361 1.444,362 2.872,363 1.547,364 4.113,365 2.35,366 1.414,367 2.046,369 3.549,370 1.275,371 2.84,372 1.413,373 3.841,374 2.293,375 1.377,376 1.985,378 3.091,379 1.229,380 2.731,381 1.297,382 3.599,383 2.218,384 1.264,385 1.836,386 2.96,387 1.194,388 2.044,389 1.034,390 3.263,391 1.537,392 0.645,393 0.867,394 1.53,395 0.565,396 1.617,397 0.638,398 2.888,399 1.278,400 0.414,401 0.487,402 0.694,403 0.352,404 1.43,405 0.431,406 2.82,407 0.999,408 0.123,409 0.157,411 0.282,412 0.099,413 1.02,414 -0.033,415 2.403,416 0.523,417 -0.339,418 -0.437,420 -0.774,421 -0.257,422 0.804,423 -0.344,424 2.254,425 0.281,426 -0.64,427 -0.844,429 -1.522,430 -0.558,431 0.721,432 -0.622,433 2.233,434 0.207,435 -0.709,436 -1.032,438 -1.932,439 -0.627,440 11.581,441 0.504,442 0.5,443 0.022,444 34.25,445 1.489,446 19,447 0.826,448 15.25,449 0.663,450 16.087,451 0.699,452 22.619,453 0.646,454 21.679,455 0.943,456 6.652,457 0.289,458 4.606,459 0.2,460 0.105,462 0.345,466 0.811,467 1.071,468 0.577,469 0.765,470 0.738,471 0.726,472 1.065,473 0.822,474 0.706,475 0.684,476 0.876,477 0.695,478 0.992,479 1.252,480 0.969,481 1.09,482 0.902,483 0.934,484 1.07,485 1.157,486 1.272,487 1.22,488 1.141,489 1.126,490 0.818,491 1.017,492 0.96,493 0.99,494 0.824,495 0.913,496 0.882,497 1.134,498 1.117,499 1.152,500 0.909,501 0.993,502 0.835,503 0.959,504 1.125,505 1.082,506 0.905,507 1.079,508 1.198,509 0.971,510 0.912,511 0.905,512 1.132,513 1.079,514 4,515 0.041,516 2.667,517 1.764,518 1.284,519 0.608,520 0.492,521 0.337,522 0.127,523 0.105,524 5574,525 17344,526 2.168,527 34.3,529 10,531 1,532 1,536 1.66,537 2.06,538 3.172,539 -0.284,545 62.264,546 1.779,547 3.632,548 4.375,549 4.936,550 4.993,551 4.993,552 2.653,553 4.176,554 4.494,555 3.283,556 830.594,557 7.751,558 9123.24,563 179.525,564 1.302,565 4.469,566 0.154,567 0.006,568 0.072,569 0.046,570 0.04,571 0.021,572 0.018,573 0.015,574 0.007,575 0.01,576 0.389,577 0.33,578 1,579 0.7,580 105.984,581 -0.069,582 -0.083,583 0.027,584 0.017,585 -0.098,586 0.024,587 -0.079,588 0.193,589 0.056,590 0.203,591 -0.048,592 0.127,593 -0.02,594 -0.228,595 0.015,596 -0.109,597 -0.001,598 -0.054,599 -0.114,600 -0.139,601 -0.189,602 -0.201,603 -0.179,604 -0.191,605 0.009,606 0.002,607 0.032,608 0.034,609 0.091,610 0.093,611 -0.002,612 -0.058,613 0.003,614 -0.04,615 0.006,616 -0.042,617 0.193,618 0.015,619 -0.096,620 -0.118,621 0.162,622 -0.119,623 -0.225,624 -0.02,625 -0.131,626 -0.053,627 -0.157,628 -0.137,629 1.012,630 2.113,631 0.826,632 17.611,633 1.013,634 1.104,635 3.927,636 15.424,637 0.765,638 3.296,639 3.638,640 3.97,641 4.277,642 4.554,643 4.673,644 4.86,645 5.03,646 5.043,647 5.094,648 5.333,649 0.727,650 341.84,651 3.296,652 4.844,653 5.72,654 6.616,655 7.513,656 8.418,657 9.323,658 10.234,659 11.144,660 12.058,661 8.6,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 1,698 1,699 35,700 21,701 2,702 26,704 38,705 17,706 16,707 5,708 7,710 4,711 7,712 1,721 16,722 1,736 12,737 4,738 1,739 6,740 2,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,782 1,785 23,790 1,791 1,797 1,800 1,801 2.9,806 1,808 11.167,809 6.793,810 5.056,811 1.943,812 4.314,813 1.573,814 1.049,815 3.792,816 11.846,817 3.624,818 4.327,819 5.032,820 5.728,821 6.373,822 6.808,823 7.342,824 7.865,825 8.151,826 8.529,827 1,828 38,829 8.423,831 3.59,832 7.643,833 16.114,835 13.295,837 2.143,838 49.278,842 129.482,843 137.15,844 51.582,845 39.149,846 11,848 31.278,849 105.873,850 179.631,851 51.582,852 10.883,854 66.334,855 45.342,856 53.847,857 3.82,858 148.989,859 39.149,860 129.482,861 157.455,862 11,863 70.426,865 129.482,866 11,869 28.773,870 95.11,871 72.72,872 31.278,873 129.482,874 62.582,875 176.299,878 129.482,879 51.315,880 85.835,881 18.011,882 83.72,883 129.482,884 62.582,885 176.299,887 0.581,888 0.354,889 0.196,890 0.11,891 20,892 8,893 0.079,894 3,895 2,896 1.211,897 3.531,898 194.621,899 0.211,900 19,901 104.042,902 1,904 14.669,905 5.947,906 2.621,907 4.13,908 62.582,909 15.151,910 8.814,913 1.632,914 3.062,916 18.011,917 368.363,918 36.5,926 35.451,927 38.644,928 0.347,929 0.708,930 0.853,931 0.962,932 0.974,933 0.974,934 4.846,935 1.377,936 5.707,937 3.549,938 4.317,939 5.014,940 1.029,941 6.553,942 4.168,943 6.086,944 1.264,945 7.283,946 3.091,947 3.892,948 4.913,950 7.506,951 3.644,952 7.419,953 0.645,954 8.96,955 2.96,956 5.938,957 7.376,958 0.763,959 10.643,960 5.663,961 8.794,962 0.414,963 10.698,964 1.53,965 6.365,966 8.152,968 12.453,969 5.986,970 10.203,971 0.123,972 12.475,973 0.694,974 7.864,975 10.067,976 0.597,977 15.108,978 7.465,979 11.639,980 -0.339,981 14.279,982 0.282,983 8.689,984 11.266,986 17.276,987 8.191,988 13.094,989 -0.64,990 16.103,991 -0.774,992 9.972,993 12.962,994 0.47,995 19.775,996 9.445,997 3.27,998 -0.709,999 17.943,1000 -1.522,1001 10.983,1002 14.365,1004 22.095,1005 10.367,1006 2.833,1007 11.488,1008 19.795,1009 -1.932,1010 12.184,1011 15.976,1012 0.367,1013 24.545,1014 11.527,1015 2.585,1016 8.956,1017 21.657,1018 4.851,1019 13.279,1020 17.473,1022 26.931,1023 12.545,1024 2.241,1025 8.181,1026 23.527,1027 3.83,1028 14.453,1029 19.056,1030 0.283,1031 29.369,1032 13.669,1033 1.82,1034 6.824,1035 25.405,1036 3.672,1037 15.588,1038 20.595,1040 31.784,1041 14.734,1042 1.548,1043 5.511,1044 27.288,1045 3.036,1046 16.756,1047 22.17,1048 0.217,1049 34.22,1050 15.847,1051 1.414,1052 4.388,1053 29.177,1054 2.654,1055 17.911,1056 23.729,1058 36.647,1059 16.936,1060 5285,1061 9450,1062 17.8,1063 26.784,1064 39.045,1065 40.015,1066 40.399,1067 39.128,1068 39.072,1069 55.141,1070 2.52,1071 114.908,1072 35.912,1073 5.52,1074 5.312,1075 6.553,1076 5.341,1077 5.27,1078 7.851,1079 1.72,1080 18.878,1081 5.07,1082 8.615,1083 1.502,1084 1.539,1085 1.554,1086 1.505,1087 1.503,1088 2.121,1089 0.097,1090 4.42,1091 1.381,1092 4.163,1093 4.173,1094 4.4,1095 4.167,1096 5.107,1097 4.123,1098 3.895,1099 3.92,1100 3.998,1101 3.837,1102 4.93,1103 3.83,1104 3.655,1105 3.692,1106 3.624,1107 3.521,1108 4.793,1109 3.533,1110 3.26,1111 3.32,1112 3.365,1113 3.041,1114 4.393,1115 3.032,1116 3.05,1117 3.125,1118 3.293,1119 2.956,1120 4.345,1121 2.914,1122 3.007,1123 3.049,1124 3.084,1125 2.843,1126 4.075,1127 2.838,1128 2.878,1129 2.922,1130 2.893,1131 2.788,1132 3.85,1133 2.765,1134 2.825,1135 2.888,1136 2.679,1137 2.686,1138 3.687,1139 2.674,1140 0.183,1141 0.127,1142 0.264,1143 0.162,1144 0.126,1145 4.753,1146 0.187,1147 3.312,1148 0.033,1149 6.865,1150 0.442,1151 4.21,1152 0.118,1153 3.27,1154 4.851,1155 0.86,1156 11.488,1157 3.07,1158 1.942,1159 1.924,1160 2.006,1161 2.042,1162 1.154,1163 2.031,1164 1.887,1165 1.866,1166 1.969,1167 1.966,1168 1.07,1169 1.977,1170 1.724,1171 1.709,1172 1.723,1173 1.83,1174 0.89,1175 1.831,1176 1.21,1177 1.155,1178 1.558,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.959,1184 1.194,1185 1.234,1186 0.254,1187 1.227,1188 0.986,1189 0.918,1190 1.127,1191 1.084,1192 0.245,1193 1.141,1194 0.868,1195 0.824,1196 1.082,1197 1.017,1198 0.162,1199 1.059,1200 0.804,1201 0.752,1202 0.969,1203 0.944,1204 0.089,1205 0.962,1206 3.97,1208 5.303,1209 2.398,1210 6.847,1211 4.844,1212 8.485,1213 7.066,1214 10.17,1216 1.665,1217 6.225,1223 3.301,1224 5.297,1231 25.428,1232 62.264,1233 127.119,1234 153.119,1235 172.77,1236 174.77,1237 174.77,1238 25.653,1239 7.532,1240 47.04,1241 75.28,1242 23,1243 12.571,1244 4.459,1245 3.524,1246 31.772,1247 73,1248 78,1249 0.218,1250 161.763,1251 261.37,1252 386.462,1253 18496,1254 2.9,1255 15.811,1256 0.687,1257 0.599,1258 16.665,1259 13.78,1260 11.258,1261 0.433,1262 0.315,1263 6.999,1264 10.182,1265 6.717,1266 5.56,1267 11.955,1268 8.183,1269 10.023,1270 0.271,1271 0.174,1272 11.01,1273 6.428,1274 9.014,1275 0.173,1276 0.097,1277 10.235,1278 5.065,1279 7.657,1280 0.108,1281 0.053,1282 8.922,1283 3.774,1284 6.501,1285 0.069,1286 0.029,1287 7.719,1288 2.679,1289 0.333,1290 77.24,1291 0.237,1292 22.207,1293 0.626,1294 126,1295 370.422,1296 175.627,1297 412.601,1298 566.6,1299 388,1300 152,1301 387.334,1302 198.743,1303 421.405,1304 621.85,1305 396,1306 6.215} {0 CHEMBL2313918,1 1.864,2 9.833,3 5.943,4 35.319,5 98.867,6 10.751,7 0.778,8 3.709,9 3.783,10 3.634,11 3.417,12 4.906,13 3.38,14 4.181,15 4.284,16 4.071,17 3.823,18 5.372,19 3.763,20 4.336,21 4.444,22 4.268,23 3.918,24 5.546,25 3.838,26 4.33,27 4.476,28 3.988,29 3.817,30 5.445,31 3.712,32 4.255,33 4.439,34 3.798,35 3.697,36 5.311,37 3.587,38 4.15,39 4.298,40 3.786,41 3.651,42 5.28,43 3.542,44 4.064,45 4.222,46 3.851,47 3.548,48 5.22,49 3.44,50 3.885,51 4.022,52 3.74,53 3.397,54 5.095,55 3.297,56 0.081,57 0.47,58 2.301,59 2.489,60 4.681,61 2.574,62 0.246,63 0.781,64 6.915,65 4.682,66 15.82,67 4.59,68 0.332,69 0.918,70 16.712,71 5.991,72 22.147,73 5.525,74 0.322,75 0.921,76 16.604,77 6.661,78 20.786,79 6.54,80 0.291,81 0.867,82 17.4,83 6.546,84 22.519,85 6.9,86 0.277,87 0.797,88 15.923,89 6.017,90 18.28,91 5.552,92 0.292,93 0.667,94 13.435,95 5.04,96 18.316,97 5.303,98 0.242,99 0.513,100 11.172,101 3.849,102 17.274,103 3.707,104 11,105 39,106 0.333,107 0.671,108 0.792,109 0.881,110 0.892,111 0.892,112 3.229,113 0.962,114 -5.39,115 -5.27,116 -4.93,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 3,164 1,166 2,168 8,172 4,176 2,178 7,182 7,185 1,187 2,190 2,194 3,199 3,202 2,205 1,206 4,211 1,213 3,216 1,217 2,220 1,224 6,229 1,237 6,242 3,250 4,255 764,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.968,263 9.438,264 17.154,265 13.265,266 13.265,267 13.265,268 13.265,269 13.265,270 9.485,271 24.324,272 4.414,273 14.565,274 3.266,275 1.369,276 0.693,277 0.193,278 0.136,279 0.136,280 3.929,281 2,285 517,286 2.55,288 34.528,289 164.859,291 140.878,295 1.514,296 18.467,299 0.75,300 1,301 1,302 0.4,304 1,305 0.74,306 51.167,307 236,308 4.753,309 3.33,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.229,318 3.281,319 6.049,320 3.759,321 2.845,322 3.886,323 0.4,324 8.725,325 2.602,326 4.054,327 2.865,328 5.932,329 3.567,330 2.638,331 3.718,333 8.224,334 2.419,335 3.666,336 2.631,337 5.415,338 3.244,339 2.323,340 3.073,342 6.977,343 2.109,344 3.433,345 2.26,346 5.185,347 2.98,348 2.055,349 2.761,351 6.256,352 1.814,353 3.281,354 2.119,355 4.962,356 2.696,357 1.804,358 2.647,360 5.452,361 1.589,362 2.897,363 1.844,364 4.446,365 2.339,366 1.43,367 2.084,369 4.098,370 1.287,371 2.82,372 1.494,373 4.041,374 2.305,375 1.414,376 1.949,378 3.522,379 1.213,380 2.771,381 1.317,382 3.841,383 2.237,384 1.298,385 1.894,386 3.094,387 1.196,388 2.048,389 1.045,390 3.283,391 1.543,392 0.656,393 0.876,394 1.571,395 0.569,396 1.625,397 0.803,398 2.956,399 1.284,400 0.425,401 0.495,402 0.735,403 0.357,404 1.516,405 0.568,406 2.827,407 1.052,408 0.232,409 0.289,411 0.501,412 0.164,413 1.149,414 0.142,415 2.407,416 0.662,417 -0.163,418 -0.205,420 -0.396,421 -0.122,422 0.814,423 -0.148,424 2.38,425 0.328,426 -0.555,427 -0.722,429 -1.357,430 -0.423,431 0.797,432 -0.355,433 2.33,434 0.248,435 -0.675,436 -0.915,438 -1.771,439 -0.584,440 12.295,441 0.512,442 0.606,443 0.025,444 35,445 1.458,446 19,447 0.792,448 16,449 0.667,450 18.036,451 0.752,452 23.705,453 0.677,454 22.438,455 0.935,456 6.725,457 0.28,458 4.927,459 0.205,460 0.157,462 0.366,466 0.768,467 1.071,468 0.533,469 0.717,470 0.69,471 0.686,472 1.002,473 0.813,474 0.653,475 0.628,476 0.785,477 0.639,478 1.022,479 1.25,480 0.929,481 1.061,482 0.912,483 0.942,484 0.875,485 1.185,486 1.047,487 1.222,488 0.915,489 1.146,490 0.762,491 1.038,492 0.878,493 1.023,494 0.795,495 0.978,496 0.783,497 1.183,498 1.144,499 1.315,500 0.792,501 1.114,502 0.685,503 0.941,504 0.716,505 0.87,506 0.705,507 0.95,508 1.245,509 0.944,510 0.919,511 0.792,512 1.313,513 0.98,514 5,515 0.083,516 2.889,517 1.951,518 1.395,519 0.608,520 0.631,521 0.315,522 0.266,523 0.156,524 6323,525 22749,526 2.135,527 31.4,529 9,531 1,532 1,536 1.67,537 2,538 3.276,539 -0.26,545 65.229,546 1.864,547 3.76,548 4.436,549 4.936,550 4.993,551 4.993,552 2.736,553 3.824,554 4.555,555 3.382,556 933.489,557 7.866,558 10650.2,563 179.525,564 1.406,565 4.518,566 0.185,567 0.008,568 0.074,569 0.049,570 0.042,571 0.021,572 0.023,573 0.013,574 0.013,575 0.011,576 0.439,577 0.33,578 1,579 0.757,580 112.925,581 -0.081,582 -0.082,583 0.008,584 0.017,585 -0.111,586 0.022,587 -0.1,588 0.207,589 0.045,590 0.231,591 -0.024,592 0.159,593 -0.069,594 -0.227,595 0.022,596 -0.102,597 -0.013,598 -0.088,599 -0.035,600 -0.154,601 -0.14,602 -0.223,603 -0.093,604 -0.202,605 -0.014,606 -0.003,607 -0.017,608 -0.002,609 0.006,610 0.056,611 0.001,612 -0.093,613 -0.207,614 -0.231,615 -0.001,616 -0.157,617 0.232,618 0.047,619 0.182,620 0.093,621 0.218,622 0.032,623 -0.13,624 -0.01,625 0.084,626 0.08,627 -0.174,628 -0.061,629 1.173,630 1.969,631 0.792,632 19.292,633 1.022,634 1.103,635 4.16,636 17.303,637 0.79,638 3.332,639 3.689,640 4.007,641 4.304,642 4.585,643 4.71,644 4.89,645 5.063,646 5.081,647 5.17,648 5.657,649 0.75,650 376.28,651 3.332,652 4.89,653 5.765,654 6.663,655 7.557,656 8.463,657 9.366,658 10.275,659 11.183,660 12.096,661 8.6,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,712 2,721 16,722 1,736 11,737 4,738 1,739 7,740 3,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,782 2,785 24,790 1,791 1,797 1,800 2,801 2.9,806 1,808 12,809 6.852,810 5.222,811 1.923,812 4.301,813 1.564,814 1.044,815 4.203,816 11.93,817 3.651,818 4.366,819 5.061,820 5.752,821 6.398,822 6.833,823 7.355,824 7.879,825 8.17,826 8.573,827 0.857,828 40,829 8.778,831 3.758,832 7.711,833 16.675,835 13.773,837 2.211,838 53.056,842 117.711,843 131.175,844 51.582,845 78.297,846 11,848 31.278,849 99.897,850 207.008,851 51.582,852 10.883,854 56.857,855 45.342,856 57.348,857 3.82,858 137.218,859 78.297,860 117.711,861 151.479,862 11,863 109.575,865 117.711,866 11,869 28.773,870 89.134,871 111.868,872 31.278,873 117.711,874 62.582,875 209.472,878 117.711,879 54.816,880 76.359,881 18.011,882 122.868,883 117.711,884 62.582,885 209.472,887 0.588,888 0.355,889 0.189,890 0.108,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.603,898 205.322,899 0.211,900 19,901 110.039,902 1,904 15.878,905 6.353,906 2.933,907 4.069,908 62.582,909 12.891,910 8.803,913 1.618,914 3.385,916 18.011,917 389.765,918 37.5,926 35.775,927 38.588,928 0.363,929 0.733,930 0.865,931 0.962,932 0.974,933 0.974,934 4.885,935 1.414,936 5.765,937 4.098,938 4.369,939 5.053,940 1.029,941 6.611,942 4.192,943 6.135,944 1.298,945 7.345,946 3.522,947 4.007,948 5.007,950 7.554,951 3.705,952 7.474,953 0.656,954 9.022,955 3.094,956 5.999,957 7.42,958 0.763,959 10.677,960 5.687,961 8.853,962 0.425,963 10.756,964 1.571,965 6.447,966 8.213,968 12.459,969 6.014,970 10.263,971 0.232,972 12.525,973 0.735,974 7.919,975 10.105,976 0.597,977 15.112,978 7.479,979 11.696,980 -0.163,981 14.321,982 0.501,983 8.746,984 11.306,986 17.265,987 8.2,988 13.149,989 -0.555,990 16.136,991 -0.396,992 10.016,993 12.992,994 0.47,995 19.765,996 9.448,997 3.269,998 -0.675,999 17.967,1000 -1.357,1001 11.023,1002 14.393,1004 22.08,1005 10.367,1006 2.845,1007 11.485,1008 19.811,1009 -1.771,1010 12.216,1011 15.999,1012 0.367,1013 24.532,1014 11.524,1015 2.638,1016 8.725,1017 21.666,1018 4.851,1019 13.308,1020 17.493,1022 26.917,1023 12.54,1024 2.323,1025 8.224,1026 23.53,1027 3.886,1028 14.477,1029 19.072,1030 0.283,1031 29.356,1032 13.663,1033 2.055,1034 6.977,1035 25.403,1036 3.718,1037 15.608,1038 20.609,1040 31.772,1041 14.727,1042 1.804,1043 6.256,1044 27.283,1045 3.073,1046 16.772,1047 22.181,1048 0.217,1049 34.209,1050 15.84,1051 1.43,1052 5.452,1053 29.169,1054 2.761,1055 17.924,1056 23.739,1058 36.637,1059 16.928,1060 6024,1061 11564,1062 18.205,1063 27.642,1064 40.851,1065 42.102,1066 42.39,1067 40.917,1068 40.773,1069 57.046,1070 2.52,1071 121.279,1072 36.778,1073 5.517,1074 5.33,1075 6.412,1076 5.341,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.07,1082 10.999,1083 1.513,1084 1.559,1085 1.57,1086 1.515,1087 1.51,1088 2.113,1089 0.093,1090 4.492,1091 1.362,1092 4.163,1093 4.173,1094 4.4,1095 4.167,1096 5.114,1097 4.123,1098 3.901,1099 3.919,1100 4.109,1101 3.853,1102 5.026,1103 3.844,1104 3.657,1105 3.692,1106 3.638,1107 3.523,1108 4.797,1109 3.535,1110 3.261,1111 3.32,1112 3.409,1113 3.046,1114 4.492,1115 3.039,1116 3.063,1117 3.123,1118 3.386,1119 2.963,1120 4.409,1121 2.922,1122 3.01,1123 3.049,1124 3.291,1125 2.879,1126 4.318,1127 2.866,1128 2.877,1129 2.921,1130 3.046,1131 2.788,1132 3.931,1133 2.762,1134 2.827,1135 2.888,1136 2.751,1137 2.692,1138 3.848,1139 2.679,1140 0.176,1141 0.123,1142 0.254,1143 0.156,1144 0.121,1145 4.753,1146 0.18,1147 3.33,1148 0.032,1149 6.864,1150 0.425,1151 4.209,1152 0.114,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.942,1159 1.924,1160 2.003,1161 2.041,1162 1.154,1163 2.029,1164 1.883,1165 1.867,1166 1.934,1167 1.958,1168 1.068,1169 1.967,1170 1.722,1171 1.71,1172 1.713,1173 1.821,1174 0.888,1175 1.823,1176 1.21,1177 1.155,1178 1.557,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.96,1184 1.144,1185 1.201,1186 0.251,1187 1.193,1188 0.972,1189 0.921,1190 1.127,1191 1.084,1192 0.209,1193 1.139,1194 0.867,1195 0.824,1196 1.036,1197 1.01,1198 0.15,1199 1.051,1200 0.801,1201 0.753,1202 0.967,1203 0.939,1204 0.056,1205 0.957,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.537,1213 7.066,1214 10.221,1216 1.658,1217 12.045,1223 3.289,1224 5.296,1231 26.255,1232 65.229,1233 131.609,1234 155.26,1235 172.77,1236 174.77,1237 174.77,1238 29.354,1239 7.629,1240 47.04,1241 75.28,1242 23,1243 12.61,1244 4.459,1245 3.524,1246 33.845,1247 81,1248 84,1249 0.209,1250 170.096,1251 276.58,1252 406.794,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.618,1258 18.035,1259 14.837,1260 11.652,1261 0.432,1262 0.321,1263 7.129,1264 10.296,1265 6.81,1266 5.612,1267 12.638,1268 8.661,1269 10.635,1270 0.273,1271 0.179,1272 11.992,1273 6.985,1274 9.463,1275 0.175,1276 0.102,1277 11.217,1278 5.53,1279 7.826,1280 0.107,1281 0.054,1282 9.239,1283 3.909,1284 6.672,1285 0.069,1286 0.029,1287 8.046,1288 2.8,1289 0.322,1290 82.778,1291 0.234,1292 23.146,1293 0.59,1294 132,1295 404.626,1296 197.146,1297 474.833,1298 638.03,1299 444,1300 159,1301 414.197,1302 220.771,1303 458.251,1304 676.19,1305 430,1306 5.699} {0 CHEMBL2313919,1 1.864,2 9.292,3 5.943,4 35.319,5 98.867,6 10.751,7 0.778,8 3.709,9 3.783,10 3.634,11 3.417,12 4.905,13 3.38,14 4.181,15 4.284,16 4.071,17 3.823,18 5.382,19 3.763,20 4.334,21 4.444,22 4.146,23 3.904,24 5.492,25 3.823,26 4.332,27 4.476,28 4.178,29 3.837,30 5.508,31 3.738,32 4.263,33 4.437,34 3.798,35 3.721,36 5.326,37 3.605,38 4.151,39 4.298,40 3.854,41 3.656,42 5.31,43 3.554,44 4.069,45 4.221,46 3.993,47 3.597,48 5.23,49 3.477,50 3.892,51 4.02,52 3.638,53 3.378,54 5.136,55 3.292,56 0.081,57 0.47,58 2.301,59 2.489,60 4.681,61 2.574,62 0.246,63 0.781,64 6.915,65 4.682,66 15.839,67 4.59,68 0.305,69 0.915,70 15.161,71 5.99,72 20.015,73 5.503,74 0.358,75 0.92,76 17.483,77 6.653,78 22.66,79 6.631,80 0.298,81 0.86,82 19.213,83 6.58,84 24.191,85 6.723,86 0.286,87 0.793,88 15.251,89 6.007,90 18.779,91 5.622,92 0.282,93 0.661,94 15.439,95 5.076,96 16.857,97 5.204,98 0.269,99 0.507,100 10.309,101 3.838,102 20.174,103 3.699,104 11,105 39,106 0.333,107 0.671,108 0.782,109 0.851,110 0.851,111 0.851,112 3.229,113 0.962,114 -5.39,115 -5.27,116 -4.93,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 2,161 1,162 3,164 1,166 2,168 12,172 4,176 1,178 2,182 7,185 1,187 4,190 4,194 2,199 2,202 2,205 1,206 6,211 1,213 2,216 1,220 1,224 7,229 3,237 5,242 2,250 6,255 758,256 16.35,257 16.35,258 16.35,259 16.35,260 16.35,261 13.895,262 17.003,263 9.481,264 17.14,265 13.313,266 13.313,267 13.313,268 13.313,269 13.313,270 9.522,271 26.606,272 4.473,273 14.619,274 3.266,275 1.369,276 0.75,277 0.364,278 0.364,279 0.364,280 3.929,281 2,285 487,286 2.55,288 34.107,289 163.626,291 139.142,295 1.566,296 18.586,299 0.75,300 1,301 1,302 0.4,304 1,305 0.74,306 51.167,307 223,308 4.753,309 3.302,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.19,318 3.147,319 6.04,320 3.737,321 2.803,322 3.842,323 0.4,324 8.709,325 2.604,326 4.034,327 2.85,328 5.656,329 3.542,330 2.607,331 3.7,333 7.832,334 2.416,335 3.639,336 2.623,337 5.373,338 3.208,339 2.281,340 3.054,342 6.858,343 2.099,344 3.311,345 2.587,346 5.018,347 2.847,348 1.93,349 2.659,351 5.709,352 1.713,353 3.247,354 2.165,355 4.843,356 2.707,357 1.879,358 2.527,360 5.349,361 1.574,362 3.232,363 1.836,364 4.618,365 2.683,366 1.79,367 2.481,369 4.963,370 1.441,371 2.892,372 1.484,373 4.419,374 2.329,375 1.421,376 2.078,378 4.045,379 1.279,380 2.764,381 1.313,382 3.841,383 2.234,384 1.291,385 1.885,386 3.093,387 1.209,388 2.039,389 1.039,390 3.276,391 1.53,392 0.64,393 0.859,394 1.529,395 0.559,396 1.609,397 0.608,398 2.933,399 1.266,400 0.404,401 0.478,402 0.674,403 0.344,404 1.304,405 0.277,406 2.826,407 0.89,408 -0.031,409 -0.041,411 -0.083,412 -0.029,413 1,414 0.173,415 2.406,416 0.473,417 -0.347,418 -0.445,420 -0.891,421 -0.229,422 0.924,423 0.089,424 2.382,425 0.433,426 -0.454,427 -0.581,429 -1.131,430 -0.291,431 0.804,432 -0.319,433 2.331,434 0.269,435 -0.63,436 -0.794,438 -1.484,439 -0.514,440 12.295,441 0.512,442 0.623,443 0.026,444 35,445 1.458,446 19,447 0.792,448 16,449 0.667,450 18.077,451 0.753,452 23.705,453 0.677,454 22.493,455 0.937,456 6.71,457 0.28,458 4.925,459 0.205,460 0.157,462 0.366,466 0.768,467 1.071,468 0.533,469 0.717,470 0.694,471 0.686,472 1.002,473 0.813,474 0.653,475 0.628,476 0.732,477 0.639,478 1.165,479 1.253,480 1.132,481 1.15,482 1.174,483 1.022,484 0.639,485 1.187,486 0.772,487 1.108,488 0.601,489 1.02,490 0.985,491 1.024,492 1.101,493 1.076,494 1.06,495 1.037,496 0.669,497 1.189,498 1.053,499 1.285,500 0.64,501 1.057,502 0.791,503 0.899,504 0.626,505 0.706,506 0.841,507 0.856,508 1.299,509 0.981,510 1.246,511 1.032,512 1.386,513 1.109,514 5.5,515 0.098,516 2.222,517 2.326,518 1.315,519 0.608,520 0.633,521 0.251,522 0.311,523 0.091,524 6251,525 22301,526 2.135,527 31.4,529 9,531 1,532 1,536 1.671,537 2,538 3.203,539 -0.26,545 65.229,546 1.864,547 3.76,548 4.379,549 4.765,550 4.765,551 4.765,552 2.678,553 3.804,554 4.556,555 3.347,556 923.882,557 7.872,558 10540.9,563 179.525,564 1.406,565 4.518,566 0.204,567 0.01,568 0.057,569 0.06,570 0.038,571 0.021,572 0.022,573 0.01,574 0.015,575 0.007,576 0.442,577 0.33,578 1,579 0.757,580 112.674,581 -0.081,582 -0.082,583 0.008,584 0.017,585 -0.115,586 0.022,587 -0.1,588 0.207,589 0.045,590 0.231,591 0.03,592 0.159,593 -0.217,594 -0.231,595 -0.187,596 -0.194,597 -0.284,598 -0.17,599 0.208,600 -0.155,601 0.143,602 -0.106,603 0.229,604 -0.072,605 -0.166,606 0.002,607 -0.153,608 -0.052,609 -0.172,610 -0.02,611 0.118,612 -0.099,613 -0.114,614 -0.2,615 0.156,616 -0.098,617 0.17,618 0.084,619 0.333,620 0.265,621 0.137,622 0.12,623 -0.128,624 -0.055,625 -0.181,626 -0.163,627 -0.177,628 -0.205,629 1.101,630 1.953,631 0.792,632 18.813,633 1.022,634 1.103,635 4.16,636 17.303,637 0.79,638 3.332,639 3.689,640 3.989,641 4.331,642 4.575,643 4.727,644 4.883,645 5.063,646 5.088,647 5.176,648 5.573,649 0.75,650 376.28,651 3.332,652 4.89,653 5.759,654 6.663,655 7.55,656 8.462,657 9.359,658 10.275,659 11.177,660 12.095,661 8.6,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,712 2,721 16,722 1,736 11,737 4,738 1,739 7,740 3,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,782 2,785 24,790 1,791 1,797 1,800 2,801 2.9,806 1,808 12,809 6.852,810 5.194,811 1.916,812 4.31,813 1.565,814 1.044,815 4.203,816 11.939,817 3.651,818 4.366,819 5.051,820 5.766,821 6.39,822 6.844,823 7.35,824 7.879,825 8.173,826 8.576,827 1,828 39,829 8.778,831 3.757,832 7.711,833 16.675,835 13.768,837 2.211,838 53.056,842 117.711,843 131.175,844 51.582,845 78.297,846 11,848 31.278,849 99.897,850 207.008,851 51.582,852 10.883,854 56.857,855 45.342,856 57.348,857 3.82,858 137.218,859 78.297,860 117.711,861 151.479,862 11,863 109.575,865 117.711,866 11,869 28.773,870 89.134,871 111.868,872 31.278,873 117.711,874 62.582,875 209.472,878 117.711,879 54.816,880 76.359,881 18.011,882 122.868,883 117.711,884 62.582,885 209.472,887 0.585,888 0.343,889 0.198,890 0.107,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.595,898 205.773,899 0.211,900 19,901 104.039,902 1,904 15.878,905 6.353,906 3.048,907 4.044,908 62.582,909 12.792,910 8.799,913 1.612,914 3.451,916 18.011,917 389.765,918 37.5,926 35.775,927 38.588,928 0.363,929 0.733,930 0.854,931 0.929,932 0.929,933 0.929,934 4.885,935 1.421,936 5.759,937 4.963,938 4.369,939 5.053,940 1.029,941 6.6,942 4.192,943 6.135,944 1.291,945 7.33,946 4.045,947 4.007,948 5.007,950 7.516,951 3.705,952 7.472,953 0.64,954 8.996,955 3.093,956 5.989,957 7.414,958 0.763,959 10.648,960 5.685,961 8.847,962 0.404,963 10.718,964 1.529,965 6.415,966 8.194,968 12.416,969 6.006,970 10.251,971 -0.031,972 12.478,973 0.674,974 7.892,975 10.092,976 0.597,977 15.08,978 7.474,979 11.68,980 -0.347,981 14.265,982 -0.083,983 8.705,984 11.287,986 17.234,987 8.194,988 13.129,989 -0.454,990 16.075,991 -0.891,992 9.98,993 12.977,994 0.47,995 19.74,996 9.444,997 3.269,998 -0.63,999 17.902,1000 -1.131,1001 10.982,1002 14.376,1004 22.06,1005 10.364,1006 2.803,1007 11.485,1008 19.745,1009 -1.484,1010 12.179,1011 15.985,1012 0.367,1013 24.516,1014 11.522,1015 2.607,1016 8.709,1017 21.6,1018 4.851,1019 13.27,1020 17.48,1022 26.905,1023 12.539,1024 2.281,1025 7.832,1026 23.466,1027 3.842,1028 14.442,1029 19.061,1030 0.283,1031 29.347,1032 13.662,1033 1.93,1034 6.858,1035 25.342,1036 3.7,1037 15.575,1038 20.6,1040 31.765,1041 14.727,1042 1.879,1043 5.709,1044 27.225,1045 3.054,1046 16.742,1047 22.173,1048 0.217,1049 34.203,1050 15.839,1051 1.79,1052 5.349,1053 29.114,1054 2.659,1055 17.896,1056 23.732,1058 36.634,1059 16.929,1060 5957,1061 11387,1062 18.205,1063 27.642,1064 40.864,1065 41.446,1066 42.206,1067 40.865,1068 40.631,1069 56.826,1070 2.52,1071 120.49,1072 36.615,1073 5.519,1074 5.302,1075 6.412,1076 5.341,1077 5.269,1078 7.851,1079 1.72,1080 18.871,1081 5.07,1082 10.929,1083 1.513,1084 1.535,1085 1.563,1086 1.514,1087 1.505,1088 2.105,1089 0.093,1090 4.463,1091 1.356,1092 4.163,1093 4.173,1094 4.4,1095 4.167,1096 5.112,1097 4.123,1098 3.901,1099 3.919,1100 4.082,1101 3.853,1102 5.006,1103 3.843,1104 3.656,1105 3.692,1106 3.633,1107 3.523,1108 4.797,1109 3.535,1110 3.261,1111 3.32,1112 3.582,1113 3.043,1114 4.632,1115 3.036,1116 3.056,1117 3.124,1118 3.374,1119 2.959,1120 4.397,1121 2.917,1122 3.009,1123 3.049,1124 3.199,1125 2.851,1126 4.236,1127 2.847,1128 2.901,1129 2.918,1130 3.023,1131 2.849,1132 3.867,1133 2.815,1134 2.825,1135 2.888,1136 2.715,1137 2.688,1138 3.839,1139 2.676,1140 0.176,1141 0.122,1142 0.254,1143 0.156,1144 0.121,1145 4.753,1146 0.18,1147 3.302,1148 0.032,1149 6.864,1150 0.425,1151 4.209,1152 0.114,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.942,1159 1.924,1160 2.002,1161 2.04,1162 1.154,1163 2.028,1164 1.883,1165 1.867,1166 1.929,1167 1.957,1168 1.068,1169 1.966,1170 1.722,1171 1.71,1172 1.713,1173 1.821,1174 0.888,1175 1.823,1176 1.21,1177 1.155,1178 1.557,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.96,1184 1.148,1185 1.215,1186 0.251,1187 1.208,1188 0.98,1189 0.919,1190 1.127,1191 1.084,1192 0.223,1193 1.14,1194 0.849,1195 0.827,1196 1,1197 0.962,1198 0.105,1199 1.004,1200 0.804,1201 0.752,1202 0.97,1203 0.945,1204 0.096,1205 0.964,1206 4.007,1208 5.352,1209 2.398,1210 6.893,1211 4.844,1212 8.527,1213 7.066,1214 10.211,1216 1.657,1217 12.127,1223 3.277,1224 5.296,1231 26.255,1232 65.229,1233 131.609,1234 153.26,1235 166.77,1236 166.77,1237 166.77,1238 29.032,1239 7.629,1240 47.04,1241 75.28,1242 23,1243 12.608,1244 4.459,1245 3.524,1246 33.801,1247 80,1248 84,1249 0.212,1250 170.096,1251 276.58,1252 406.794,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.618,1258 18.035,1259 14.837,1260 11.635,1261 0.431,1262 0.321,1263 7.123,1264 10.229,1265 6.801,1266 5.603,1267 12.621,1268 8.655,1269 10.785,1270 0.277,1271 0.181,1272 12.217,1273 7.072,1274 9.032,1275 0.17,1276 0.098,1277 10.344,1278 5.17,1279 8.259,1280 0.11,1281 0.056,1282 10.065,1283 4.189,1284 6.496,1285 0.068,1286 0.028,1287 7.789,1288 2.735,1289 0.325,1290 82.677,1291 0.234,1292 23.085,1293 0.602,1294 132,1295 404.626,1296 197.146,1297 474.993,1298 637.39,1299 444,1300 158,1301 413.197,1302 212.058,1303 457.396,1304 672.42,1305 429,1306 5.092} {0 CHEMBL2313920,1 1.864,2 9.792,3 5.943,4 35.319,5 98.867,6 10.751,7 0.778,8 3.709,9 3.783,10 3.634,11 3.417,12 4.906,13 3.38,14 4.181,15 4.284,16 4.071,17 3.823,18 5.374,19 3.763,20 4.335,21 4.444,22 4.194,23 3.908,24 5.52,25 3.832,26 4.339,27 4.475,28 4.13,29 3.854,30 5.498,31 3.744,32 4.256,33 4.439,34 3.865,35 3.702,36 5.34,37 3.598,38 4.154,39 4.297,40 3.936,41 3.695,42 5.29,43 3.576,44 4.069,45 4.221,46 3.761,47 3.532,48 5.256,49 3.436,50 3.871,51 4.024,52 3.651,53 3.367,54 5.025,55 3.265,56 0.081,57 0.47,58 2.301,59 2.489,60 4.681,61 2.574,62 0.246,63 0.781,64 6.915,65 4.682,66 15.83,67 4.59,68 0.315,69 0.91,70 14.488,71 5.98,72 19.793,73 5.573,74 0.356,75 0.917,76 19.968,77 6.697,78 24.563,79 6.384,80 0.3,81 0.863,82 16.727,83 6.536,84 23.018,85 6.97,86 0.266,87 0.792,88 17.926,89 6.053,90 16.821,91 5.453,92 0.318,93 0.661,94 12.573,95 5.029,96 21.216,97 5.295,98 0.206,99 0.53,100 9.823,101 3.826,102 14.38,103 3.779,104 11,105 39,106 0.333,107 0.671,108 0.802,109 0.892,110 0.892,111 0.892,112 3.229,113 0.962,114 -5.39,115 -5.27,116 -4.93,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 3,164 1,166 1,168 9,172 4,176 4,178 5,182 6,185 1,187 1,190 3,194 5,199 3,202 1,205 1,206 2,211 1,213 4,216 1,217 4,220 1,224 5,237 8,242 2,250 4,255 758,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.335,263 9.46,264 17.165,265 13.275,266 13.275,267 13.275,268 13.275,269 13.275,270 9.49,271 21.264,272 4.429,273 14.561,274 3.266,275 1.369,276 0.636,277 0.136,278 0.136,279 0.136,280 3.929,281 2,285 515,286 2.55,288 34.152,289 163.798,291 139.368,295 1.476,296 18.697,299 0.75,300 1,301 1,302 0.4,304 1,305 0.74,306 51.167,307 235,308 4.753,309 3.322,310 6.865,311 4.21,312 3.271,313 4.851,314 0.86,315 11.488,316 3.07,317 4.252,318 3.213,319 6.141,320 3.802,321 2.877,322 3.904,323 0.4,324 9.021,325 2.635,326 4.036,327 2.848,328 5.935,329 3.547,330 2.608,331 3.706,333 8.27,334 2.425,335 3.637,336 2.729,337 5.375,338 3.201,339 2.275,340 3.052,342 6.849,343 2.095,344 3.431,345 2.484,346 5.015,347 2.942,348 2.067,349 2.751,351 5.827,352 1.736,353 3.285,354 1.949,355 4.937,356 2.703,357 1.813,358 2.65,360 5.469,361 1.588,362 2.92,363 1.783,364 4.508,365 2.399,366 1.507,367 2.102,369 4.277,370 1.304,371 2.841,372 1.473,373 4.112,374 2.297,375 1.384,376 1.986,378 3.568,379 1.23,380 2.751,381 1.313,382 3.841,383 2.229,384 1.283,385 1.864,386 3.091,387 1.197,388 2.056,389 1.045,390 3.286,391 1.558,392 0.668,393 0.891,394 1.604,395 0.58,396 1.646,397 0.773,398 2.978,399 1.304,400 0.441,401 0.512,402 0.793,403 0.371,404 1.538,405 0.489,406 2.828,407 1.096,408 0.243,409 0.31,411 0.523,412 0.191,413 1.063,414 0.256,415 2.407,416 0.576,417 -0.304,418 -0.398,420 -0.728,421 -0.248,422 0.804,423 -0.065,424 2.359,425 0.283,426 -0.514,427 -0.621,429 -1.242,430 -0.293,431 0.797,432 -0.36,433 2.339,434 0.265,435 -0.653,436 -0.866,438 -1.615,439 -0.584,440 12.295,441 0.512,442 0.606,443 0.025,444 35,445 1.458,446 19,447 0.792,448 16,449 0.667,450 18.116,451 0.755,452 23.705,453 0.677,454 22.503,455 0.938,456 6.725,457 0.28,458 4.927,459 0.205,460 0.157,462 0.366,466 0.768,467 1.071,468 0.533,469 0.717,470 0.69,471 0.686,472 1.002,473 0.813,474 0.653,475 0.628,476 0.772,477 0.639,478 1.069,479 1.258,480 1.055,481 1.125,482 1.014,483 0.975,484 0.945,485 1.168,486 1.059,487 1.183,488 0.978,489 1.123,490 0.662,491 1.043,492 0.798,493 0.997,494 0.661,495 0.928,496 0.88,497 1.145,498 1.061,499 1.165,500 0.917,501 1.028,502 0.729,503 0.971,504 0.984,505 1.066,506 0.765,507 1.056,508 1.171,509 0.931,510 0.72,511 0.691,512 1.122,513 0.93,514 5,515 0.063,516 2.889,517 1.951,518 1.475,519 0.664,520 0.572,521 0.424,522 0.183,523 0.186,524 6251,525 22301,526 2.135,527 31.4,529 9,531 1,532 1,536 1.671,537 2,538 3.255,539 -0.26,545 65.229,546 1.864,547 3.76,548 4.493,549 4.993,550 4.993,551 4.993,552 2.701,553 3.939,554 4.555,555 3.361,556 927.624,557 7.87,558 10537.7,563 179.525,564 1.406,565 4.518,566 0.185,567 0.007,568 0.074,569 0.049,570 0.043,571 0.022,572 0.02,573 0.017,574 0.009,575 0.013,576 0.44,577 0.33,578 1,579 0.757,580 112.66,581 -0.081,582 -0.082,583 0.008,584 0.017,585 -0.111,586 0.022,587 -0.1,588 0.207,589 0.045,590 0.231,591 -0.012,592 0.159,593 -0.117,594 -0.236,595 -0.108,596 -0.168,597 -0.118,598 -0.121,599 -0.034,600 -0.145,601 -0.063,602 -0.179,603 -0.068,604 -0.193,605 0.09,606 -0.009,607 0.065,608 0.025,609 0.144,610 0.108,611 -0.056,612 -0.059,613 -0.069,614 -0.074,615 -0.075,616 -0.076,617 0.234,618 0.009,619 -0.035,620 -0.106,621 0.216,622 -0.086,623 -0.171,624 0.018,625 0.146,626 0.178,627 -0.121,628 0.014,629 1.128,630 2.134,631 0.792,632 18.979,633 1.022,634 1.103,635 4.16,636 17.303,637 0.79,638 3.332,639 3.689,640 4.007,641 4.317,642 4.595,643 4.718,644 4.89,645 5.069,646 5.094,647 5.165,648 5.583,649 0.75,650 376.28,651 3.332,652 4.89,653 5.765,654 6.666,655 7.561,656 8.468,657 9.372,658 10.284,659 11.193,660 12.107,661 8.6,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,712 2,721 16,722 1,736 11,737 4,738 1,739 7,740 3,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,782 2,785 24,790 1,791 1,797 1,800 2,801 2.9,806 1,808 12,809 6.852,810 5.222,811 1.923,812 4.33,813 1.568,814 1.044,815 4.203,816 11.959,817 3.651,818 4.366,819 5.061,820 5.757,821 6.402,822 6.837,823 7.355,824 7.882,825 8.177,826 8.569,827 0.857,828 40,829 8.78,831 3.759,832 7.711,833 16.675,835 13.773,837 2.211,838 53.056,842 117.711,843 131.175,844 51.582,845 78.297,846 11,848 31.278,849 99.897,850 207.008,851 51.582,852 10.883,854 56.857,855 45.342,856 57.348,857 3.82,858 137.218,859 78.297,860 117.711,861 151.479,862 11,863 109.575,865 117.711,866 11,869 28.773,870 89.134,871 111.868,872 31.278,873 117.711,874 62.582,875 209.472,878 117.711,879 54.816,880 76.359,881 18.011,882 122.868,883 117.711,884 62.582,885 209.472,887 0.587,888 0.352,889 0.194,890 0.11,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.591,898 206.108,899 0.211,900 19,901 110.039,902 1,904 15.878,905 6.353,906 2.933,907 4.033,908 62.582,909 12.795,910 8.797,913 1.609,914 3.405,916 18.011,917 389.765,918 37.5,926 35.775,927 38.588,928 0.363,929 0.733,930 0.876,931 0.974,932 0.974,933 0.974,934 4.885,935 1.384,936 5.765,937 4.277,938 4.369,939 5.053,940 1.029,941 6.613,942 4.192,943 6.135,944 1.283,945 7.345,946 3.568,947 4.007,948 5.007,950 7.564,951 3.705,952 7.474,953 0.668,954 9.023,955 3.091,956 5.999,957 7.42,958 0.763,959 10.69,960 5.69,961 8.853,962 0.441,963 10.757,964 1.604,965 6.447,966 8.213,968 12.481,969 6.024,970 10.263,971 0.243,972 12.529,973 0.793,974 7.921,975 10.106,976 0.597,977 15.136,978 7.488,979 11.697,980 -0.304,981 14.327,982 0.523,983 8.751,984 11.308,986 17.292,987 8.217,988 13.151,989 -0.514,990 16.145,991 -0.728,992 10.022,993 12.993,994 0.47,995 19.791,996 9.464,997 3.271,998 -0.653,999 17.979,1000 -1.242,1001 11.032,1002 14.395,1004 22.106,1005 10.386,1006 2.877,1007 11.488,1008 19.826,1009 -1.615,1010 12.227,1011 16.001,1012 0.367,1013 24.556,1014 11.543,1015 2.608,1016 9.021,1017 21.683,1018 4.851,1019 13.321,1020 17.495,1022 26.939,1023 12.56,1024 2.275,1025 8.27,1026 23.55,1027 3.904,1028 14.491,1029 19.074,1030 0.283,1031 29.376,1032 13.682,1033 2.067,1034 6.849,1035 25.425,1036 3.706,1037 15.624,1038 20.611,1040 31.789,1041 14.747,1042 1.813,1043 5.827,1044 27.306,1045 3.052,1046 16.79,1047 22.183,1048 0.217,1049 34.224,1050 15.858,1051 1.507,1052 5.469,1053 29.193,1054 2.751,1055 17.942,1056 23.741,1058 36.651,1059 16.946,1060 5958,1061 11388,1062 18.205,1063 27.642,1064 40.956,1065 41.926,1066 42.431,1067 41.065,1068 40.871,1069 57.159,1070 2.52,1071 121.562,1072 36.843,1073 5.523,1074 5.322,1075 6.412,1076 5.342,1077 5.271,1078 7.851,1079 1.72,1080 18.879,1081 5.07,1082 10.913,1083 1.517,1084 1.553,1085 1.572,1086 1.521,1087 1.514,1088 2.117,1089 0.093,1090 4.502,1091 1.365,1092 4.163,1093 4.173,1094 4.4,1095 4.167,1096 5.114,1097 4.123,1098 3.901,1099 3.919,1100 4.084,1101 3.853,1102 5.002,1103 3.844,1104 3.656,1105 3.692,1106 3.642,1107 3.523,1108 4.796,1109 3.535,1110 3.261,1111 3.32,1112 3.577,1113 3.045,1114 4.631,1115 3.037,1116 3.06,1117 3.123,1118 3.365,1119 2.962,1120 4.392,1121 2.921,1122 3.01,1123 3.049,1124 3.154,1125 2.881,1126 4.2,1127 2.866,1128 2.879,1129 2.922,1130 3.029,1131 2.79,1132 3.924,1133 2.765,1134 2.827,1135 2.888,1136 2.753,1137 2.692,1138 3.848,1139 2.679,1140 0.176,1141 0.123,1142 0.254,1143 0.156,1144 0.121,1145 4.753,1146 0.18,1147 3.322,1148 0.032,1149 6.865,1150 0.425,1151 4.21,1152 0.114,1153 3.271,1154 4.851,1155 0.86,1156 11.488,1157 3.07,1158 1.942,1159 1.925,1160 2.002,1161 2.04,1162 1.154,1163 2.028,1164 1.883,1165 1.867,1166 1.929,1167 1.956,1168 1.068,1169 1.966,1170 1.722,1171 1.71,1172 1.716,1173 1.823,1174 0.888,1175 1.825,1176 1.21,1177 1.155,1178 1.557,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.96,1184 1.131,1185 1.21,1186 0.251,1187 1.2,1188 0.974,1189 0.92,1190 1.126,1191 1.084,1192 0.208,1193 1.14,1194 0.868,1195 0.824,1196 1.081,1197 1.016,1198 0.162,1199 1.058,1200 0.801,1201 0.753,1202 0.968,1203 0.94,1204 0.064,1205 0.958,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1216 1.657,1217 12.195,1223 3.269,1224 5.296,1231 26.255,1232 65.229,1233 131.609,1234 157.26,1235 174.77,1236 174.77,1237 174.77,1238 29.466,1239 7.629,1240 47.04,1241 75.28,1242 23,1243 12.62,1244 4.459,1245 3.524,1246 33.814,1247 80,1248 84,1249 0.212,1250 170.096,1251 276.58,1252 406.794,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.618,1258 18.035,1259 14.837,1260 11.652,1261 0.432,1262 0.321,1263 7.129,1264 10.267,1265 6.81,1266 5.61,1267 12.638,1268 8.661,1269 10.657,1270 0.273,1271 0.18,1272 12.052,1273 7.009,1274 9.335,1275 0.173,1276 0.099,1277 10.79,1278 5.34,1279 7.992,1280 0.108,1281 0.055,1282 9.684,1283 4.075,1284 6.706,1285 0.068,1286 0.029,1287 8.103,1288 2.811,1289 0.325,1290 82.778,1291 0.234,1292 23.093,1293 0.602,1294 132,1295 404.626,1296 197.146,1297 474.759,1298 637.97,1299 444,1300 159,1301 414.197,1302 215.502,1303 458.055,1304 675.45,1305 430,1306 5.796} {0 CHEMBL2313921,1 1.921,2 9.833,3 5.484,4 30.075,5 94.279,6 10.281,7 0.778,8 3.714,9 3.792,10 3.597,11 3.386,12 4.952,13 3.365,14 4.187,15 4.295,16 4.023,17 3.782,18 5.436,19 3.743,20 4.346,21 4.464,22 4.167,23 3.85,24 5.675,25 3.805,26 4.337,27 4.492,28 3.957,29 3.78,30 5.505,31 3.695,32 4.258,33 4.445,34 3.761,35 3.682,36 5.358,37 3.578,38 4.156,39 4.31,40 3.751,41 3.617,42 5.332,43 3.526,44 4.071,45 4.235,46 3.786,47 3.504,48 5.313,49 3.415,50 3.897,51 4.042,52 3.575,53 3.278,54 5.218,55 3.243,56 0.106,57 0.558,58 2.996,59 2.776,60 5.442,61 2.685,62 0.286,63 0.909,64 7.816,65 4.996,66 18.411,67 4.666,68 0.435,69 1.092,70 14.038,71 6.217,72 36.385,73 5.437,74 0.391,75 1.055,76 15.482,77 6.827,78 30.564,79 6.432,80 0.35,81 0.939,82 17.512,83 6.574,84 28.532,85 7.016,86 0.32,87 0.886,88 15.433,89 6.083,90 24.115,91 5.541,92 0.341,93 0.778,94 13.811,95 5.155,96 25.723,97 5.373,98 0.284,99 0.677,100 9.381,101 3.963,102 20.195,103 3.606,104 11,105 39,106 0.343,107 0.692,108 0.813,109 0.892,110 0.892,111 0.892,112 3.229,113 0.92,114 -5.27,115 -5.16,116 -4.83,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 3,164 1,166 2,168 7,172 4,176 2,178 4,182 7,185 1,187 2,190 2,194 3,199 2,202 2,205 1,206 4,211 1,213 3,216 1,217 1,220 1,224 6,229 1,237 5,242 2,250 3,255 764,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.985,263 9.438,264 17.087,265 13.265,266 13.265,267 13.265,268 13.265,269 13.265,270 9.485,271 24.338,272 4.414,273 14.412,274 3.208,275 1.255,276 0.579,277 0.136,278 0.136,279 0.136,280 3.929,281 1,284 1,285 517,286 2.55,288 34.528,289 164.859,291 140.878,295 1.514,296 24.381,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.333,307 236,308 4.753,309 3.323,310 6.864,311 4.209,312 3.269,313 4.851,314 0.86,315 11.485,316 3.07,317 4.229,318 3.277,319 6.049,320 3.773,321 2.845,322 3.886,323 0.4,324 8.725,325 2.629,326 4.054,327 2.865,328 5.932,329 3.574,330 2.638,331 3.718,333 8.224,334 2.447,335 3.666,336 2.63,337 5.415,338 3.251,339 2.323,340 3.073,342 6.977,343 2.137,344 3.433,345 2.254,346 5.185,347 2.993,348 2.055,349 2.761,351 6.256,352 1.898,353 3.281,354 2.108,355 4.962,356 2.696,357 1.804,358 2.647,360 5.452,361 1.593,362 2.897,363 1.844,364 4.446,365 2.339,366 1.43,367 2.084,369 4.098,370 1.289,371 2.82,372 1.494,373 4.041,374 2.318,375 1.414,376 1.949,378 3.522,379 1.217,380 2.771,381 1.317,382 3.841,383 2.238,384 1.298,385 1.894,386 3.094,387 1.212,388 2.048,389 1.045,390 3.283,391 1.546,392 0.656,393 0.876,394 1.571,395 0.574,396 1.625,397 0.796,398 2.956,399 1.29,400 0.425,401 0.495,402 0.735,403 0.362,404 1.516,405 0.567,406 2.827,407 1.09,408 0.232,409 0.289,411 0.501,412 0.187,413 1.149,414 0.142,415 2.407,416 0.689,417 -0.163,418 -0.205,420 -0.396,421 -0.126,422 0.814,423 -0.154,424 2.38,425 0.329,426 -0.555,427 -0.722,429 -1.357,430 -0.441,431 0.797,432 -0.357,433 2.33,434 0.249,435 -0.675,436 -0.915,438 -1.771,439 -0.602,440 11.867,441 0.494,442 0.606,443 0.025,444 35,445 1.458,446 19,447 0.792,448 16,449 0.667,450 17.222,451 0.718,452 24.133,453 0.69,454 23.251,455 0.969,456 6.856,457 0.286,458 4.796,459 0.2,460 0.126,462 0.379,464 1,466 0.691,467 0.946,468 0.563,469 0.764,470 0.565,471 0.718,472 0.895,473 0.811,474 0.688,475 0.687,476 0.659,477 0.673,478 0.985,479 1.185,480 0.986,481 1.118,482 0.887,483 0.962,484 0.866,485 1.018,486 1.07,487 1.159,488 0.861,489 1.122,490 0.6,491 0.75,492 1.043,493 1.006,494 0.463,495 0.999,496 0.749,497 1.004,498 1.251,499 1.293,500 0.707,501 1.115,502 0.64,503 0.818,504 0.762,505 0.88,506 0.618,507 0.978,508 1.215,509 1.187,510 1.002,511 1.026,512 1.219,513 1.057,514 5,515 0.083,516 2.889,517 1.951,518 1.395,519 0.608,520 0.631,521 0.315,522 0.266,523 0.156,524 6323,525 22749,526 2.135,527 31.4,529 9,531 1,532 1,536 1.67,537 2,538 3.276,539 -0.26,545 67.229,546 1.921,547 3.875,548 4.55,549 4.993,550 4.993,551 4.993,552 2.736,553 3.824,554 4.555,555 3.382,556 933.489,557 7.866,558 10650.2,563 179.525,564 1.406,565 4.518,566 0.185,567 0.008,568 0.074,569 0.049,570 0.042,571 0.021,572 0.023,573 0.013,574 0.013,575 0.011,576 0.439,577 0.33,578 1,579 0.757,580 112.925,581 -0.069,582 -0.068,583 0.017,584 0.016,585 -0.067,586 0.024,587 -0.089,588 0.098,589 0.057,590 0.198,591 -0.018,592 0.148,593 -0.037,594 -0.167,595 -0.022,596 -0.137,597 0.038,598 -0.098,599 -0.06,600 -0.076,601 -0.11,602 -0.152,603 -0.101,604 -0.167,605 0.028,606 0.052,607 -0.046,608 0.007,609 0.044,610 0.05,611 -0.022,612 -0.063,613 -0.219,614 -0.197,615 -0.038,616 -0.144,617 0.202,618 0.062,619 0.198,620 0.079,621 0.141,622 0.012,623 -0.101,624 -0.202,625 -0.029,626 -0.159,627 -0.098,628 -0.143,629 2.121,630 5.306,631 0.792,632 19.292,633 1.028,634 1.114,635 4.044,636 16.355,637 0.763,638 3.332,639 3.689,640 4.007,641 4.304,642 4.585,643 4.71,644 4.89,645 5.063,646 5.081,647 5.17,648 5.657,649 0.737,650 359.83,651 3.332,652 4.89,653 5.765,654 6.663,655 7.557,656 8.463,657 9.366,658 10.275,659 11.183,660 12.096,661 8.6,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,712 1,721 16,722 1,734 1,736 11,737 5,738 1,739 7,740 2,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,782 1,783 1,785 24,790 1,791 1,797 1,800 2,801 2.9,806 1,808 12,809 6.852,810 5.222,811 1.923,812 4.301,813 1.564,814 1.049,815 3.985,816 11.93,817 3.651,818 4.366,819 5.061,820 5.752,821 6.398,822 6.833,823 7.355,824 7.879,825 8.17,826 8.573,827 0.857,828 40,829 8.817,831 3.83,832 7.873,833 16.535,835 13.665,837 2.373,838 56.944,842 117.711,843 136.795,844 51.582,845 39.149,846 11,847 14.96,848 31.278,849 105.518,850 167.86,851 66.542,852 10.883,854 56.857,855 45.342,856 62.968,857 18.78,858 137.218,859 39.149,860 117.711,861 157.099,862 25.96,863 70.426,865 132.671,866 11,869 28.773,870 94.755,871 72.72,872 31.278,873 132.671,874 62.582,875 175.944,878 117.711,879 60.436,880 76.359,881 18.011,882 98.68,883 117.711,884 77.542,885 175.944,887 0.588,888 0.355,889 0.189,890 0.108,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.603,898 205.322,899 0.211,900 19,901 110.039,902 1,904 15.548,905 6.151,906 2.819,907 3.882,908 77.542,909 11.833,910 8.703,913 1.57,914 1.719,916 18.011,917 371.197,918 37.5,926 35.964,927 38.984,928 0.374,929 0.755,930 0.887,931 0.974,932 0.974,933 0.974,934 4.885,935 1.414,936 5.765,937 4.098,938 4.369,939 5.053,940 1.029,941 6.611,942 4.21,943 6.135,944 1.298,945 7.345,946 3.522,947 4.007,948 5.007,950 7.554,951 3.749,952 7.474,953 0.656,954 9.022,955 3.094,956 5.999,957 7.42,958 0.763,959 10.677,960 5.714,961 8.853,962 0.425,963 10.756,964 1.571,965 6.447,966 8.213,968 12.459,969 6.057,970 10.263,971 0.232,972 12.525,973 0.735,974 7.919,975 10.105,976 0.597,977 15.112,978 7.509,979 11.696,980 -0.163,981 14.321,982 0.501,983 8.746,984 11.306,986 17.265,987 8.238,988 13.149,989 -0.555,990 16.136,991 -0.396,992 10.016,993 12.992,994 0.47,995 19.765,996 9.479,997 3.269,998 -0.675,999 17.967,1000 -1.357,1001 11.023,1002 14.393,1004 22.08,1005 10.399,1006 2.845,1007 11.485,1008 19.811,1009 -1.771,1010 12.216,1011 15.999,1012 0.367,1013 24.532,1014 11.552,1015 2.638,1016 8.725,1017 21.666,1018 4.851,1019 13.308,1020 17.493,1022 26.917,1023 12.567,1024 2.323,1025 8.224,1026 23.53,1027 3.886,1028 14.477,1029 19.072,1030 0.283,1031 29.356,1032 13.687,1033 2.055,1034 6.977,1035 25.403,1036 3.718,1037 15.608,1038 20.609,1040 31.772,1041 14.75,1042 1.804,1043 6.256,1044 27.283,1045 3.073,1046 16.772,1047 22.181,1048 0.217,1049 34.209,1050 15.86,1051 1.43,1052 5.452,1053 29.169,1054 2.761,1055 17.924,1056 23.739,1058 36.637,1059 16.947,1060 6024,1061 11564,1062 18.205,1063 26.722,1064 40.851,1065 42.071,1066 42.39,1067 40.858,1068 40.773,1069 57.046,1070 2.52,1071 121.279,1072 37.228,1073 5.517,1074 5.323,1075 6.412,1076 5.34,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.07,1082 10.999,1083 1.513,1084 1.558,1085 1.57,1086 1.513,1087 1.51,1088 2.113,1089 0.093,1090 4.492,1091 1.379,1092 4.163,1093 4.173,1094 4.399,1095 4.167,1096 8.201,1097 4.123,1098 3.905,1099 3.928,1100 4.014,1101 3.836,1102 5.102,1103 3.835,1104 3.657,1105 3.694,1106 3.633,1107 3.522,1108 4.863,1109 3.534,1110 3.262,1111 3.321,1112 3.387,1113 3.042,1114 4.792,1115 3.036,1116 3.072,1117 3.139,1118 3.308,1119 2.957,1120 4.411,1121 2.917,1122 3.012,1123 3.05,1124 3.075,1125 2.849,1126 4.34,1127 2.853,1128 2.877,1129 2.921,1130 2.93,1131 2.782,1132 3.976,1133 2.761,1134 2.828,1135 2.891,1136 2.692,1137 2.686,1138 3.849,1139 2.676,1140 0.176,1141 0.123,1142 0.254,1143 0.156,1144 0.121,1145 4.753,1146 0.18,1147 3.323,1148 0.032,1149 6.864,1150 0.425,1151 4.209,1152 0.114,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.07,1158 1.942,1159 1.924,1160 2.003,1161 2.043,1162 1.154,1163 2.03,1164 1.881,1165 1.862,1166 1.942,1167 1.968,1168 1.058,1169 1.972,1170 1.721,1171 1.708,1172 1.715,1173 1.829,1174 0.885,1175 1.826,1176 1.21,1177 1.155,1178 1.557,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.959,1184 1.151,1185 1.231,1186 0.251,1187 1.205,1188 0.966,1189 0.907,1190 1.127,1191 1.084,1192 0.202,1193 1.14,1194 0.867,1195 0.824,1196 1.042,1197 1.01,1198 0.149,1199 1.051,1200 0.799,1201 0.748,1202 0.967,1203 0.946,1204 0.042,1205 0.96,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.537,1213 7.066,1214 10.221,1216 1.638,1217 5.837,1218 13.306,1223 3.181,1224 5.273,1231 25.811,1232 67.229,1233 135.609,1234 159.26,1235 174.77,1236 174.77,1237 174.77,1238 34.275,1239 7.629,1240 47.04,1241 75.28,1242 23,1243 12.61,1244 4.459,1245 3.524,1246 33.845,1247 81,1248 84,1249 0.209,1250 162.961,1251 267.44,1252 389.385,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.587,1258 16.665,1259 14.081,1260 11.652,1261 0.432,1262 0.307,1263 7.074,1264 10.466,1265 6.81,1266 5.612,1267 11.938,1268 8.283,1269 10.635,1270 0.273,1271 0.169,1272 11.163,1273 6.577,1274 9.463,1275 0.175,1276 0.094,1277 9.903,1278 5.08,1279 7.826,1280 0.107,1281 0.052,1282 9.007,1283 3.792,1284 6.672,1285 0.069,1286 0.028,1287 7.586,1288 2.673,1289 0.322,1290 80.469,1291 0.234,1292 23.146,1293 0.59,1294 132,1295 464.534,1296 185.458,1297 474.833,1298 638.03,1299 444,1300 159,1301 430.667,1302 209.88,1303 458.251,1304 676.19,1305 430,1306 5} {0 CHEMBL2313922,1 1.921,2 9.792,3 5.484,4 30.075,5 94.279,6 10.281,7 0.778,8 3.714,9 3.792,10 3.597,11 3.386,12 4.952,13 3.365,14 4.187,15 4.295,16 4.023,17 3.782,18 5.438,19 3.743,20 4.345,21 4.465,22 4.124,23 3.851,24 5.626,25 3.802,26 4.351,27 4.5,28 4.01,29 3.772,30 5.643,31 3.705,32 4.265,33 4.455,34 3.798,35 3.655,36 5.441,37 3.574,38 4.164,39 4.313,40 3.803,41 3.608,42 5.393,43 3.536,44 4.083,45 4.246,46 3.651,47 3.448,48 5.395,49 3.391,50 3.879,51 4.039,52 3.577,53 3.302,54 5.123,55 3.231,56 0.106,57 0.558,58 2.996,59 2.776,60 5.442,61 2.685,62 0.286,63 0.909,64 7.816,65 4.996,66 18.063,67 4.666,68 0.399,69 1.139,70 14.12,71 6.196,72 29.59,73 5.564,74 0.475,75 1.112,76 15.99,77 6.894,78 42.729,79 6.141,80 0.379,81 1.017,82 15.646,83 6.533,84 35.157,85 6.877,86 0.31,87 0.963,88 15.989,89 6.152,90 20.462,91 5.395,92 0.389,93 0.855,94 11.587,95 5.103,96 32.516,97 5.174,98 0.241,99 0.616,100 10.433,101 3.941,102 16.401,103 3.784,104 11,105 39,106 0.343,107 0.692,108 0.813,109 0.892,110 0.892,111 0.892,112 3.229,113 0.92,114 -5.27,115 -5.16,116 -4.83,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 3,164 1,166 1,168 8,172 4,176 3,178 4,182 6,185 1,187 1,190 1,194 4,199 3,202 1,205 1,206 2,211 1,213 3,216 1,217 3,220 1,224 4,237 6,242 2,250 3,255 758,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.358,263 9.46,264 17.104,265 13.275,266 13.275,267 13.275,268 13.275,269 13.275,270 9.49,271 21.321,272 4.429,273 14.432,274 3.208,275 1.255,276 0.579,277 0.136,278 0.136,279 0.136,280 3.929,281 1,284 1,285 515,286 2.55,288 34.152,289 163.798,291 139.368,295 1.476,296 25.274,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.333,307 235,308 4.753,309 3.32,310 6.865,311 4.21,312 3.271,313 4.851,314 0.86,315 11.488,316 3.071,317 4.252,318 3.204,319 6.141,320 3.82,321 2.877,322 3.904,323 0.4,324 9.021,325 2.699,326 4.036,327 2.848,328 5.935,329 3.551,330 2.608,331 3.706,333 8.27,334 2.446,335 3.637,336 2.725,337 5.375,338 3.201,339 2.275,340 3.052,342 6.849,343 2.1,344 3.431,345 2.48,346 5.015,347 2.947,348 2.067,349 2.751,351 5.827,352 1.74,353 3.285,354 1.943,355 4.937,356 2.705,357 1.813,358 2.65,360 5.469,361 1.594,362 2.92,363 1.779,364 4.508,365 2.426,366 1.507,367 2.102,369 4.277,370 1.369,371 2.841,372 1.473,373 4.112,374 2.307,375 1.384,376 1.986,378 3.568,379 1.265,380 2.751,381 1.313,382 3.841,383 2.23,384 1.283,385 1.864,386 3.091,387 1.207,388 2.056,389 1.045,390 3.286,391 1.56,392 0.668,393 0.891,394 1.604,395 0.583,396 1.646,397 0.772,398 2.978,399 1.309,400 0.441,401 0.512,402 0.793,403 0.375,404 1.538,405 0.488,406 2.828,407 1.111,408 0.243,409 0.31,411 0.523,412 0.2,413 1.063,414 0.245,415 2.407,416 0.591,417 -0.304,418 -0.398,420 -0.728,421 -0.253,422 0.804,423 -0.067,424 2.359,425 0.33,426 -0.514,427 -0.621,429 -1.242,430 -0.36,431 0.797,432 -0.361,433 2.339,434 0.274,435 -0.653,436 -0.866,438 -1.615,439 -0.59,440 11.867,441 0.494,442 0.606,443 0.025,444 35,445 1.458,446 19,447 0.792,448 16,449 0.667,450 17.23,451 0.718,452 24.133,453 0.69,454 23.39,455 0.975,456 6.856,457 0.286,458 4.796,459 0.2,460 0.126,462 0.379,464 1,466 0.691,467 0.946,468 0.563,469 0.764,470 0.565,471 0.718,472 0.895,473 0.811,474 0.688,475 0.687,476 0.654,477 0.673,478 1.039,479 1.15,480 1.068,481 1.114,482 0.994,483 0.977,484 1.003,485 1.165,486 1.06,487 1.196,488 1.082,489 1.116,490 0.68,491 0.904,492 0.793,493 0.959,494 0.712,495 0.921,496 0.872,497 1.198,498 1.214,499 1.341,500 0.885,501 1.093,502 0.863,503 1.025,504 0.909,505 1.051,506 1.043,507 1.054,508 1.076,509 0.979,510 0.728,511 0.77,512 0.901,513 0.978,514 5,515 0.063,516 2.889,517 1.951,518 1.475,519 0.664,520 0.572,521 0.424,522 0.183,523 0.186,524 6251,525 22301,526 2.135,527 31.4,529 9,531 1,532 1,536 1.671,537 2,538 3.255,539 -0.26,545 67.229,546 1.921,547 3.875,548 4.55,549 4.993,550 4.993,551 4.993,552 2.701,553 3.939,554 4.555,555 3.361,556 927.624,557 7.87,558 10537.7,563 179.525,564 1.406,565 4.518,566 0.185,567 0.007,568 0.074,569 0.049,570 0.043,571 0.022,572 0.02,573 0.017,574 0.009,575 0.013,576 0.44,577 0.33,578 1,579 0.757,580 112.66,581 -0.069,582 -0.068,583 0.017,584 0.016,585 -0.067,586 0.024,587 -0.089,588 0.098,589 0.057,590 0.198,591 -0.013,592 0.148,593 -0.093,594 -0.131,595 -0.106,596 -0.132,597 -0.072,598 -0.114,599 -0.022,600 -0.092,601 -0.103,602 -0.183,603 -0.022,604 -0.188,605 0.081,606 0.042,607 0.084,608 0.052,609 0.079,610 0.115,611 -0.041,612 -0.182,613 -0.182,614 -0.242,615 -0.037,616 -0.137,617 0.172,618 0.028,619 -0.032,620 -0.095,621 0.083,622 -0.093,623 -0.141,624 -0.092,625 0.161,626 0.092,627 -0.042,628 -0.03,629 2.1,630 6.036,631 0.792,632 18.979,633 1.028,634 1.114,635 4.044,636 16.355,637 0.763,638 3.332,639 3.689,640 4.007,641 4.317,642 4.595,643 4.718,644 4.89,645 5.069,646 5.094,647 5.165,648 5.583,649 0.737,650 359.83,651 3.332,652 4.89,653 5.765,654 6.666,655 7.561,656 8.468,657 9.372,658 10.284,659 11.193,660 12.107,661 8.6,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,712 1,721 16,722 1,734 1,736 11,737 5,738 1,739 7,740 2,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,782 1,783 1,785 24,790 1,791 1,797 1,800 2,801 2.9,806 1,808 12,809 6.852,810 5.222,811 1.923,812 4.33,813 1.568,814 1.049,815 3.985,816 11.959,817 3.651,818 4.366,819 5.061,820 5.757,821 6.402,822 6.837,823 7.355,824 7.882,825 8.177,826 8.569,827 0.857,828 40,829 8.83,831 3.844,832 7.873,833 16.535,835 13.665,837 2.373,838 56.944,842 117.711,843 136.795,844 51.582,845 39.149,846 11,847 14.96,848 31.278,849 105.518,850 167.86,851 66.542,852 10.883,854 56.857,855 45.342,856 62.968,857 18.78,858 137.218,859 39.149,860 117.711,861 157.099,862 25.96,863 70.426,865 132.671,866 11,869 28.773,870 94.755,871 72.72,872 31.278,873 132.671,874 62.582,875 175.944,878 117.711,879 60.436,880 76.359,881 18.011,882 98.68,883 117.711,884 77.542,885 175.944,887 0.587,888 0.352,889 0.194,890 0.11,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.591,898 206.108,899 0.211,900 19,901 110.039,902 1,904 15.548,905 6.151,906 2.819,907 3.724,908 77.542,909 11.75,910 8.628,913 1.53,914 1.563,916 18.011,917 371.197,918 37.5,926 35.964,927 38.984,928 0.374,929 0.755,930 0.887,931 0.974,932 0.974,933 0.974,934 4.885,935 1.384,936 5.765,937 4.277,938 4.369,939 5.053,940 1.029,941 6.613,942 4.21,943 6.135,944 1.283,945 7.345,946 3.568,947 4.007,948 5.007,950 7.564,951 3.749,952 7.474,953 0.668,954 9.023,955 3.091,956 5.999,957 7.42,958 0.763,959 10.69,960 5.718,961 8.853,962 0.441,963 10.757,964 1.604,965 6.447,966 8.213,968 12.481,969 6.073,970 10.263,971 0.243,972 12.529,973 0.793,974 7.921,975 10.106,976 0.597,977 15.136,978 7.527,979 11.697,980 -0.304,981 14.327,982 0.523,983 8.751,984 11.308,986 17.292,987 8.269,988 13.151,989 -0.514,990 16.145,991 -0.728,992 10.022,993 12.993,994 0.47,995 19.791,996 9.51,997 3.271,998 -0.653,999 17.979,1000 -1.242,1001 11.032,1002 14.395,1004 22.106,1005 10.44,1006 2.877,1007 11.488,1008 19.826,1009 -1.615,1010 12.227,1011 16.001,1012 0.367,1013 24.556,1014 11.593,1015 2.608,1016 9.021,1017 21.683,1018 4.851,1019 13.321,1020 17.495,1022 26.939,1023 12.612,1024 2.275,1025 8.27,1026 23.55,1027 3.904,1028 14.491,1029 19.074,1030 0.283,1031 29.376,1032 13.731,1033 2.067,1034 6.849,1035 25.425,1036 3.706,1037 15.624,1038 20.611,1040 31.789,1041 14.795,1042 1.813,1043 5.827,1044 27.306,1045 3.052,1046 16.79,1047 22.183,1048 0.217,1049 34.224,1050 15.904,1051 1.507,1052 5.469,1053 29.193,1054 2.751,1055 17.942,1056 23.741,1058 36.651,1059 16.99,1060 5958,1061 11388,1062 18.205,1063 26.722,1064 40.956,1065 41.887,1066 42.431,1067 40.978,1068 40.871,1069 57.159,1070 2.52,1071 121.562,1072 37.297,1073 5.523,1074 5.32,1075 6.412,1076 5.342,1077 5.271,1078 7.851,1079 1.72,1080 18.879,1081 5.071,1082 10.913,1083 1.517,1084 1.551,1085 1.572,1086 1.518,1087 1.514,1088 2.117,1089 0.093,1090 4.502,1091 1.381,1092 4.163,1093 4.173,1094 4.399,1095 4.167,1096 8.201,1097 4.123,1098 3.906,1099 3.929,1100 4.006,1101 3.836,1102 5.101,1103 3.835,1104 3.656,1105 3.693,1106 3.636,1107 3.522,1108 4.895,1109 3.534,1110 3.261,1111 3.32,1112 3.414,1113 3.044,1114 4.796,1115 3.037,1116 3.061,1117 3.124,1118 3.329,1119 2.961,1120 4.404,1121 2.92,1122 3.01,1123 3.049,1124 3.055,1125 2.867,1126 4.299,1127 2.861,1128 2.898,1129 2.957,1130 2.813,1131 2.733,1132 3.938,1133 2.734,1134 2.827,1135 2.889,1136 2.75,1137 2.691,1138 3.848,1139 2.679,1140 0.176,1141 0.123,1142 0.254,1143 0.156,1144 0.121,1145 4.753,1146 0.18,1147 3.32,1148 0.032,1149 6.865,1150 0.425,1151 4.21,1152 0.114,1153 3.271,1154 4.851,1155 0.86,1156 11.488,1157 3.071,1158 1.942,1159 1.924,1160 2.003,1161 2.043,1162 1.154,1163 2.029,1164 1.88,1165 1.861,1166 1.939,1167 1.968,1168 1.056,1169 1.971,1170 1.722,1171 1.709,1172 1.716,1173 1.828,1174 0.887,1175 1.826,1176 1.21,1177 1.155,1178 1.557,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.96,1184 1.133,1185 1.21,1186 0.251,1187 1.2,1188 0.973,1189 0.918,1190 1.126,1191 1.084,1192 0.207,1193 1.14,1194 0.86,1195 0.804,1196 1.097,1197 1.068,1198 0.149,1199 1.078,1200 0.8,1201 0.751,1202 0.968,1203 0.942,1204 0.057,1205 0.959,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1216 1.63,1217 5.794,1218 14.036,1223 3.026,1224 5.264,1231 25.811,1232 67.229,1233 135.609,1234 159.26,1235 174.77,1236 174.77,1237 174.77,1238 35.304,1239 7.629,1240 47.04,1241 75.28,1242 23,1243 12.62,1244 4.459,1245 3.524,1246 33.814,1247 80,1248 84,1249 0.212,1250 162.961,1251 267.44,1252 389.385,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.587,1258 16.665,1259 14.081,1260 11.652,1261 0.432,1262 0.307,1263 7.074,1264 10.446,1265 6.81,1266 5.61,1267 11.938,1268 8.283,1269 10.657,1270 0.273,1271 0.169,1272 11.151,1273 6.602,1274 9.335,1275 0.173,1276 0.093,1277 10.02,1278 5.028,1279 7.992,1280 0.108,1281 0.051,1282 8.696,1283 3.778,1284 6.706,1285 0.068,1286 0.028,1287 7.808,1288 2.698,1289 0.325,1290 80.469,1291 0.234,1292 23.093,1293 0.602,1294 132,1295 464.534,1296 185.458,1297 474.759,1298 637.97,1299 444,1300 159,1301 430.667,1302 207.055,1303 458.055,1304 675.45,1305 430,1306 5} {0 CHEMBL2313923,1 1.864,2 9.792,3 5.025,4 25.253,5 89.69,6 9.811,7 0.778,8 3.718,9 3.801,10 3.558,11 3.355,12 4.997,13 3.349,14 4.193,15 4.306,16 3.973,17 3.739,18 5.504,19 3.721,20 4.355,21 4.485,22 4.075,23 3.795,24 5.703,25 3.777,26 4.359,27 4.516,28 3.941,29 3.736,30 5.78,31 3.684,32 4.268,33 4.461,34 3.762,35 3.64,36 5.482,37 3.564,38 4.169,39 4.325,40 3.769,41 3.573,42 5.439,43 3.519,44 4.089,45 4.259,46 3.571,47 3.399,48 5.474,49 3.365,50 3.891,51 4.059,52 3.38,53 3.17,54 5.243,55 3.173,56 0.133,57 0.654,58 3.633,59 3.037,60 8.5,61 2.779,62 0.331,63 1.056,64 8.574,65 5.274,66 21.889,67 4.709,68 0.482,69 1.332,70 13.052,71 6.275,72 44.465,73 5.37,74 0.612,75 1.369,76 15.041,77 6.951,78 75.607,79 6.093,80 0.437,81 1.08,82 15.756,83 6.504,84 42.571,85 6.953,86 0.359,87 1.062,88 15.534,89 6.165,90 30.412,91 5.347,92 0.441,93 0.968,94 11.657,95 5.122,96 41.649,97 5.198,98 0.29,99 0.8,100 8.294,101 3.933,102 22.073,103 3.615,104 11,105 39,106 0.333,107 0.671,108 0.802,109 0.892,110 0.892,111 0.892,112 3.229,113 0.878,114 -5.16,115 -5.05,116 -4.73,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 3,164 1,166 1,168 6,172 4,176 3,178 3,182 6,185 1,187 1,190 1,194 4,199 2,202 1,205 1,206 2,211 1,213 3,216 1,217 2,220 1,224 4,237 5,242 1,250 2,255 758,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.384,263 9.46,264 17.031,265 13.275,266 13.275,267 13.275,268 13.275,269 13.275,270 9.49,271 21.353,272 4.429,273 14.285,274 3.266,275 1.369,276 0.636,277 0.136,278 0.136,279 0.136,280 3.929,284 1,285 515,286 2.55,288 34.152,289 163.798,291 139.368,295 1.476,296 31.231,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53.5,307 235,308 4.753,309 3.319,310 6.865,311 4.21,312 3.271,313 4.851,314 0.86,315 11.488,316 3.071,317 4.252,318 3.201,319 6.141,320 3.826,321 2.877,322 3.904,323 0.4,324 9.021,325 2.719,326 4.036,327 2.845,328 5.935,329 3.554,330 2.608,331 3.706,333 8.27,334 2.455,335 3.637,336 2.708,337 5.375,338 3.209,339 2.275,340 3.052,342 6.849,343 2.116,344 3.431,345 2.478,346 5.015,347 2.991,348 2.067,349 2.751,351 5.827,352 1.891,353 3.285,354 1.943,355 4.937,356 2.706,357 1.813,358 2.65,360 5.469,361 1.602,362 2.92,363 1.779,364 4.508,365 2.427,366 1.507,367 2.102,369 4.277,370 1.371,371 2.841,372 1.472,373 4.112,374 2.307,375 1.384,376 1.986,378 3.568,379 1.266,380 2.751,381 1.313,382 3.841,383 2.231,384 1.283,385 1.864,386 3.091,387 1.208,388 2.056,389 1.044,390 3.286,391 1.563,392 0.668,393 0.891,394 1.604,395 0.588,396 1.646,397 0.768,398 2.978,399 1.315,400 0.441,401 0.512,402 0.793,403 0.381,404 1.538,405 0.486,406 2.828,407 1.124,408 0.243,409 0.31,411 0.523,412 0.211,413 1.063,414 0.235,415 2.407,416 0.601,417 -0.304,418 -0.398,420 -0.728,421 -0.271,422 0.804,423 -0.069,424 2.359,425 0.362,426 -0.514,427 -0.621,429 -1.242,430 -0.426,431 0.797,432 -0.361,433 2.339,434 0.28,435 -0.653,436 -0.866,438 -1.615,439 -0.594,440 11.438,441 0.477,442 0.606,443 0.025,444 35,445 1.458,446 19,447 0.792,448 16,449 0.667,450 16.475,451 0.686,452 24.562,453 0.702,454 24.145,455 1.006,456 6.987,457 0.291,458 4.665,459 0.194,460 0.094,462 0.393,464 2,466 0.649,467 0.888,468 0.619,469 0.821,470 0.536,471 0.754,472 0.836,473 0.819,474 0.753,475 0.755,476 0.619,477 0.711,478 1.058,479 1.122,480 1.039,481 1.088,482 1.03,483 0.956,484 0.896,485 0.975,486 1.186,487 1.141,488 0.852,489 1.114,490 0.57,491 0.719,492 0.994,493 0.953,494 0.536,495 0.944,496 0.83,497 1.068,498 1.392,499 1.335,500 0.804,501 1.097,502 0.793,503 0.92,504 1.041,505 1.075,506 0.873,507 1.089,508 1.091,509 1.171,510 0.783,511 1.016,512 1,513 1.059,514 5,515 0.063,516 2.889,517 1.951,518 1.475,519 0.664,520 0.572,521 0.424,522 0.183,523 0.186,524 6251,525 22301,526 2.135,527 31.4,529 9,531 1,532 1,536 1.671,537 2,538 3.255,539 -0.26,545 65.229,546 1.864,547 3.76,548 4.493,549 4.993,550 4.993,551 4.993,552 2.701,553 3.939,554 4.555,555 3.361,556 927.624,557 7.87,558 10537.7,560 1,563 179.525,564 1.406,565 4.518,566 0.185,567 0.007,568 0.074,569 0.049,570 0.043,571 0.022,572 0.02,573 0.017,574 0.009,575 0.013,576 0.44,577 0.33,578 1,579 0.757,580 112.66,581 -0.062,582 -0.06,583 0.034,584 0.017,585 -0.055,586 0.027,587 -0.083,588 0.037,589 0.075,590 0.166,591 -0.006,592 0.135,593 -0.115,594 -0.105,595 -0.05,596 -0.08,597 -0.102,598 -0.082,599 0.027,600 0.023,601 -0.136,602 -0.111,603 0.083,604 -0.173,605 0.094,606 0.075,607 0.078,608 0.062,609 0.077,610 0.111,611 -0.053,612 -0.144,613 -0.19,614 -0.213,615 -0.055,616 -0.123,617 0.157,618 0.035,619 -0.083,620 -0.119,621 0.072,622 -0.119,623 -0.115,624 -0.235,625 0.013,626 -0.17,627 -0.044,628 -0.12,629 2.343,630 5.88,631 0.792,632 18.979,633 1.033,634 1.125,635 3.927,636 15.424,637 0.737,638 3.332,639 3.689,640 4.007,641 4.317,642 4.595,643 4.718,644 4.89,645 5.069,646 5.094,647 5.165,648 5.583,649 0.725,650 343.38,651 3.332,652 4.89,653 5.765,654 6.666,655 7.561,656 8.468,657 9.372,658 10.284,659 11.193,660 12.107,661 8.6,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,704 38,705 17,706 16,707 6,708 6,710 4,711 7,721 16,722 1,734 2,736 11,737 6,738 1,739 7,740 1,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,783 2,785 24,790 1,791 1,797 1,800 2,801 2.9,806 1,808 12,809 6.852,810 5.222,811 1.923,812 4.33,813 1.568,814 1.055,815 3.773,816 11.959,817 3.651,818 4.366,819 5.061,820 5.757,821 6.402,822 6.837,823 7.355,824 7.882,825 8.177,826 8.569,827 0.857,828 40,829 8.872,831 3.919,832 8.035,833 16.396,835 13.556,837 2.535,838 60.833,842 117.711,843 142.416,844 51.582,846 11,847 29.92,848 31.278,849 111.138,850 128.711,851 81.502,852 10.883,854 56.857,855 45.342,856 68.589,857 33.74,858 137.218,860 117.711,861 162.72,862 40.92,863 31.278,865 147.631,866 11,869 28.773,870 100.375,871 33.571,872 31.278,873 147.631,874 62.582,875 142.416,878 117.711,879 66.057,880 76.359,881 18.011,882 74.491,883 117.711,884 92.502,885 142.416,887 0.587,888 0.352,889 0.194,890 0.11,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.591,898 206.108,899 0.211,900 19,901 110.039,902 1,904 15.218,905 5.95,906 2.707,907 3.537,908 92.502,909 10.503,910 8.528,913 1.482,914 0.086,916 18.011,917 352.629,918 37.5,926 36.153,927 39.38,928 0.363,929 0.733,930 0.876,931 0.974,932 0.974,933 0.974,934 4.885,935 1.384,936 5.765,937 4.277,938 4.369,939 5.053,940 1.029,941 6.613,942 4.228,943 6.135,944 1.283,945 7.345,946 3.568,947 4.007,948 5.007,950 7.564,951 3.79,952 7.474,953 0.668,954 9.023,955 3.091,956 5.999,957 7.42,958 0.763,959 10.69,960 5.742,961 8.853,962 0.441,963 10.757,964 1.604,965 6.447,966 8.213,968 12.481,969 6.109,970 10.263,971 0.243,972 12.529,973 0.793,974 7.921,975 10.106,976 0.597,977 15.136,978 7.552,979 11.697,980 -0.304,981 14.327,982 0.523,983 8.751,984 11.308,986 17.292,987 8.298,988 13.151,989 -0.514,990 16.145,991 -0.728,992 10.022,993 12.993,994 0.47,995 19.791,996 9.534,997 3.271,998 -0.653,999 17.979,1000 -1.242,1001 11.032,1002 14.395,1004 22.106,1005 10.464,1006 2.877,1007 11.488,1008 19.826,1009 -1.615,1010 12.227,1011 16.001,1012 0.367,1013 24.556,1014 11.614,1015 2.608,1016 9.021,1017 21.683,1018 4.851,1019 13.321,1020 17.495,1022 26.939,1023 12.634,1024 2.275,1025 8.27,1026 23.55,1027 3.904,1028 14.491,1029 19.074,1030 0.283,1031 29.376,1032 13.751,1033 2.067,1034 6.849,1035 25.425,1036 3.706,1037 15.624,1038 20.611,1040 31.789,1041 14.814,1042 1.813,1043 5.827,1044 27.306,1045 3.052,1046 16.79,1047 22.183,1048 0.217,1049 34.224,1050 15.921,1051 1.507,1052 5.469,1053 29.193,1054 2.751,1055 17.942,1056 23.741,1058 36.651,1059 17.007,1060 5958,1061 11388,1062 18.205,1063 25.801,1064 40.956,1065 41.848,1066 42.431,1067 40.882,1068 40.871,1069 57.159,1070 2.52,1071 121.562,1072 37.756,1073 5.523,1074 5.319,1075 6.412,1076 5.342,1077 5.271,1078 7.851,1079 1.72,1080 18.879,1081 5.071,1082 10.913,1083 1.517,1084 1.55,1085 1.572,1086 1.514,1087 1.514,1088 2.117,1089 0.093,1090 4.502,1091 1.398,1092 4.163,1093 4.173,1094 4.399,1095 4.166,1096 8.211,1097 4.123,1098 3.91,1099 3.937,1100 3.883,1101 3.818,1102 8.191,1103 3.826,1104 3.657,1105 3.694,1106 3.62,1107 3.521,1108 5.098,1109 3.533,1110 3.262,1111 3.321,1112 3.363,1113 3.041,1114 4.8,1115 3.034,1116 3.071,1117 3.142,1118 3.104,1119 2.956,1120 4.544,1121 2.915,1122 3.012,1123 3.05,1124 2.972,1125 2.828,1126 4.381,1127 2.844,1128 2.898,1129 2.957,1130 2.812,1131 2.733,1132 4.015,1133 2.734,1134 2.829,1135 2.891,1136 2.692,1137 2.685,1138 3.849,1139 2.676,1140 0.176,1141 0.123,1142 0.254,1143 0.156,1144 0.121,1145 4.753,1146 0.18,1147 3.319,1148 0.032,1149 6.865,1150 0.425,1151 4.21,1152 0.114,1153 3.271,1154 4.851,1155 0.86,1156 11.488,1157 3.071,1158 1.942,1159 1.924,1160 2.003,1161 2.046,1162 1.154,1163 2.031,1164 1.878,1165 1.856,1166 1.949,1167 1.979,1168 1.046,1169 1.976,1170 1.721,1171 1.707,1172 1.718,1173 1.835,1174 0.884,1175 1.829,1176 1.21,1177 1.155,1178 1.558,1179 1.506,1180 0.577,1181 1.527,1182 0.993,1183 0.959,1184 1.143,1185 1.239,1186 0.251,1187 1.211,1188 0.968,1189 0.905,1190 1.127,1191 1.084,1192 0.197,1193 1.14,1194 0.86,1195 0.804,1196 1.098,1197 1.068,1198 0.149,1199 1.078,1200 0.798,1201 0.747,1202 0.968,1203 0.949,1204 0.05,1205 0.961,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1216 1.61,1218 26.927,1223 2.918,1224 5.241,1231 25.367,1232 65.229,1233 131.609,1234 157.26,1235 174.77,1236 174.77,1237 174.77,1238 40.637,1239 7.629,1240 47.04,1241 75.28,1242 23,1243 12.62,1244 4.459,1245 3.524,1246 33.814,1247 80,1248 84,1249 0.212,1250 155.827,1251 258.3,1252 371.977,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.555,1258 15.295,1259 13.325,1260 11.652,1261 0.432,1262 0.293,1263 7.019,1264 10.637,1265 6.81,1266 5.61,1267 11.256,1268 7.905,1269 10.657,1270 0.273,1271 0.158,1272 10.121,1273 6.166,1274 9.335,1275 0.173,1276 0.089,1277 9.321,1278 4.792,1279 7.992,1280 0.108,1281 0.049,1282 8.387,1283 3.619,1284 6.706,1285 0.068,1286 0.026,1287 7.281,1288 2.577,1289 0.325,1290 78.16,1291 0.234,1292 23.093,1293 0.602,1294 132,1295 524.441,1296 173.769,1297 474.759,1298 637.97,1299 444,1300 159,1301 447.138,1302 200.207,1303 458.055,1304 675.45,1305 430,1306 6.032} {0 CHEMBL2313924,1 1.921,2 9.792,3 5.568,4 31.004,5 97.097,6 11.551,7 0.778,8 3.711,9 3.789,10 3.693,11 3.403,12 4.936,13 3.371,14 4.184,15 4.292,16 4.147,17 3.804,18 5.414,19 3.752,20 4.341,21 4.46,22 4.246,23 3.879,24 5.598,25 3.813,26 4.347,27 4.496,28 4.174,29 3.791,30 5.59,31 3.714,32 4.263,33 4.453,34 3.89,35 3.663,36 5.426,37 3.578,38 4.161,39 4.31,40 3.889,41 3.626,42 5.376,43 3.543,44 4.079,45 4.243,46 3.84,47 3.473,48 5.365,49 3.403,50 3.873,51 4.033,52 3.971,53 3.366,54 5.077,55 3.255,56 0.093,57 0.548,58 0.984,59 2.734,60 5.116,61 2.66,62 0.266,63 0.901,64 5.049,65 5.05,66 17.454,67 4.681,68 0.361,69 1.14,70 17.205,71 6.706,72 25.723,73 5.754,74 0.407,75 1.123,76 18.048,77 7.344,78 32.377,79 6.222,80 0.349,81 1.021,82 15.03,83 6.62,84 32.979,85 6.842,86 0.287,87 0.963,88 17.31,89 6.421,90 18.097,91 5.468,92 0.363,93 0.862,94 10.402,95 5.261,96 29.873,97 5.177,98 0.218,99 0.623,100 14.622,101 4.534,102 15.572,103 3.918,104 11,105 39,106 0.343,107 0.692,108 0.813,109 0.892,110 0.892,111 0.892,112 3.229,113 0.966,114 -5.39,115 -5.27,116 -4.93,117 1,119 48.6,123 1,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 3,164 1,166 1,168 8,172 4,176 3,178 4,182 6,185 1,187 1,190 1,194 4,199 3,202 1,205 1,206 2,211 1,213 3,216 1,217 3,220 1,224 4,237 6,242 2,250 3,255 758,256 16.403,257 16.403,258 16.403,259 16.403,260 16.403,261 13.919,262 15.4,263 9.46,264 17.132,265 13.275,266 13.275,267 13.275,268 13.275,269 13.275,270 9.49,271 21.373,272 4.429,273 14.488,274 3.208,275 1.255,276 0.579,277 0.136,278 0.136,279 0.136,280 3.929,284 1,285 515,286 2.55,288 34.152,289 163.798,291 139.368,295 1.476,296 23.19,299 0.75,300 1,301 1,302 0.4,304 1,305 0.74,306 51.75,307 235,308 4.753,309 3.319,310 6.865,311 4.21,312 3.271,313 4.851,314 0.86,315 11.488,316 3.071,317 4.252,318 3.198,319 6.141,320 3.819,321 2.877,322 3.904,323 0.4,324 9.021,325 2.694,326 4.036,327 2.844,328 5.935,329 3.55,330 2.608,331 3.706,333 8.27,334 2.443,335 3.637,336 2.697,337 5.375,338 3.199,339 2.275,340 3.052,342 6.849,343 2.097,344 3.431,345 2.477,346 5.015,347 2.933,348 2.067,349 2.751,351 5.827,352 1.686,353 3.285,354 1.943,355 4.937,356 2.704,357 1.813,358 2.65,360 5.469,361 1.584,362 2.92,363 1.779,364 4.508,365 2.426,366 1.507,367 2.102,369 4.277,370 1.367,371 2.841,372 1.472,373 4.112,374 2.307,375 1.384,376 1.986,378 3.568,379 1.264,380 2.751,381 1.313,382 3.841,383 2.23,384 1.283,385 1.864,386 3.091,387 1.207,388 2.056,389 1.044,390 3.286,391 1.559,392 0.668,393 0.891,394 1.604,395 0.58,396 1.646,397 0.765,398 2.978,399 1.308,400 0.441,401 0.512,402 0.793,403 0.372,404 1.538,405 0.484,406 2.828,407 1.107,408 0.243,409 0.31,411 0.523,412 0.194,413 1.063,414 0.229,415 2.407,416 0.588,417 -0.304,418 -0.398,420 -0.728,421 -0.234,422 0.804,423 -0.07,424 2.359,425 0.323,426 -0.514,427 -0.621,429 -1.242,430 -0.335,431 0.797,432 -0.361,433 2.339,434 0.271,435 -0.653,436 -0.866,438 -1.615,439 -0.588,440 12.486,441 0.52,442 0.606,443 0.025,444 34.75,445 1.448,446 19,447 0.792,448 15.75,449 0.656,450 18.665,451 0.778,452 23.514,453 0.672,454 21.954,455 0.915,456 6.585,457 0.274,458 5.068,459 0.211,460 0.17,462 0.36,464 1,466 0.706,467 0.928,468 0.481,469 0.693,470 0.568,471 0.695,472 0.917,473 0.79,474 0.595,475 0.64,476 0.663,477 0.655,478 1.023,479 1.147,480 1.055,481 1.106,482 0.972,483 0.986,484 1.059,485 1.194,486 0.834,487 1.152,488 1.171,489 1.106,490 0.729,491 0.915,492 0.43,493 0.858,494 0.755,495 0.892,496 0.884,497 1.194,498 0.829,499 1.232,500 0.892,501 1.077,502 0.898,503 1.03,504 0.702,505 0.979,506 1.089,507 1.027,508 1.071,509 0.93,510 0.869,511 0.718,512 0.878,513 0.95,514 5,515 0.063,516 2.889,517 1.951,518 1.475,519 0.664,520 0.572,521 0.424,522 0.183,523 0.186,524 6251,525 22301,526 2.135,527 31.4,529 9,531 1,532 1,536 1.671,537 2,538 3.255,539 -0.26,545 67.229,546 1.921,547 3.875,548 4.55,549 4.993,550 4.993,551 4.993,552 2.701,553 3.939,554 4.555,555 3.361,556 927.624,557 7.87,558 10537.7,563 179.525,564 1.406,565 4.518,566 0.185,567 0.007,568 0.074,569 0.049,570 0.043,571 0.022,572 0.02,573 0.017,574 0.009,575 0.013,576 0.44,577 0.33,578 1,579 0.757,580 112.66,581 -0.07,582 -0.065,583 -0.001,584 0.014,585 -0.065,586 0.023,587 -0.088,588 0.11,589 0.019,590 0.183,591 -0.015,592 0.148,593 -0.073,594 -0.132,595 -0.114,596 -0.14,597 -0.049,598 -0.125,599 -0.056,600 -0.124,601 -0.042,602 -0.19,603 -0.083,604 -0.189,605 0.068,606 0.029,607 0.06,608 0.042,609 0.071,610 0.114,611 -0.03,612 -0.181,613 -0.104,614 -0.221,615 -0.023,616 -0.139,617 0.172,618 0.023,619 0.014,620 -0.072,621 0.077,622 -0.079,623 -0.153,624 -0.04,625 0.184,626 0.19,627 -0.04,628 0.007,629 2.015,630 6.09,631 0.792,632 18.979,633 1.025,634 1.111,635 4.16,636 17.303,637 0.778,638 3.332,639 3.689,640 4.007,641 4.317,642 4.595,643 4.718,644 4.89,645 5.069,646 5.094,647 5.165,648 5.583,649 0.743,650 404.28,651 3.332,652 4.89,653 5.765,654 6.666,655 7.561,656 8.468,657 9.372,658 10.284,659 11.193,660 12.107,661 8.6,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 1,698 2,699 35,700 21,701 2,702 27,703 1,704 38,705 17,706 16,707 6,708 6,710 4,711 7,721 16,722 1,734 1,736 11,737 5,738 1,739 7,740 2,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,780 1,781 1,783 1,785 24,790 1,791 1,797 1,800 2,801 2.9,806 1,808 12,809 6.852,810 5.222,811 1.923,812 4.33,813 1.568,814 1.054,815 4.105,816 11.959,817 3.651,818 4.366,819 5.061,820 5.757,821 6.402,822 6.837,823 7.355,824 7.882,825 8.177,826 8.569,827 0.857,828 40,829 8.836,831 3.828,832 7.816,833 16.645,835 13.75,837 2.316,838 55.583,842 117.711,843 136.35,844 97.536,846 11,847 14.96,848 31.278,849 151.026,850 128.711,851 66.542,852 10.883,854 56.857,855 45.342,856 62.523,857 18.78,858 137.218,859 45.954,860 117.711,861 156.654,862 25.96,863 31.278,864 45.954,865 132.671,866 11,869 28.773,870 94.309,871 33.571,872 77.232,873 132.671,874 62.582,875 182.304,878 117.711,879 59.991,880 76.359,881 63.965,882 59.531,883 117.711,884 77.542,885 182.304,887 0.587,888 0.352,889 0.194,890 0.11,891 21,892 9,893 0.079,894 3,895 2,896 1.211,897 3.591,898 206.108,899 0.211,900 19,901 110.039,902 1,904 15.731,905 6.263,906 2.882,907 3.789,908 77.542,909 12.186,910 8.663,913 1.547,914 2.08,916 18.011,917 377.557,918 37.5,926 35.869,927 38.882,928 0.374,929 0.755,930 0.887,931 0.974,932 0.974,933 0.974,934 4.885,935 1.384,936 5.765,937 4.277,938 4.369,939 5.053,940 1.029,941 6.613,942 4.204,943 6.135,944 1.283,945 7.345,946 3.568,947 4.007,948 5.007,950 7.564,951 3.734,952 7.474,953 0.668,954 9.023,955 3.091,956 5.999,957 7.42,958 0.763,959 10.69,960 5.711,961 8.853,962 0.441,963 10.757,964 1.604,965 6.447,966 8.213,968 12.481,969 6.063,970 10.263,971 0.243,972 12.529,973 0.793,974 7.921,975 10.106,976 0.597,977 15.136,978 7.52,979 11.697,980 -0.304,981 14.327,982 0.523,983 8.751,984 11.308,986 17.292,987 8.262,988 13.151,989 -0.514,990 16.145,991 -0.728,992 10.022,993 12.993,994 0.47,995 19.791,996 9.504,997 3.271,998 -0.653,999 17.979,1000 -1.242,1001 11.032,1002 14.395,1004 22.106,1005 10.434,1006 2.877,1007 11.488,1008 19.826,1009 -1.615,1010 12.227,1011 16.001,1012 0.367,1013 24.556,1014 11.587,1015 2.608,1016 9.021,1017 21.683,1018 4.851,1019 13.321,1020 17.495,1022 26.939,1023 12.607,1024 2.275,1025 8.27,1026 23.55,1027 3.904,1028 14.491,1029 19.074,1030 0.283,1031 29.376,1032 13.727,1033 2.067,1034 6.849,1035 25.425,1036 3.706,1037 15.624,1038 20.611,1040 31.789,1041 14.791,1042 1.813,1043 5.827,1044 27.306,1045 3.052,1046 16.79,1047 22.183,1048 0.217,1049 34.224,1050 15.9,1051 1.507,1052 5.469,1053 29.193,1054 2.751,1055 17.942,1056 23.741,1058 36.651,1059 16.986,1060 5958,1061 11388,1062 18.205,1063 27.216,1064 40.956,1065 41.825,1066 42.431,1067 41.017,1068 40.871,1069 57.159,1070 2.52,1071 121.562,1072 37.12,1073 5.523,1074 5.319,1075 6.412,1076 5.342,1077 5.271,1078 7.851,1079 1.72,1080 18.879,1081 5.071,1082 10.913,1083 1.517,1084 1.549,1085 1.572,1086 1.519,1087 1.514,1088 2.117,1089 0.093,1090 4.502,1091 1.375,1092 4.163,1093 4.173,1094 6.88,1095 4.167,1096 8.201,1097 4.123,1098 3.904,1099 3.927,1100 4.399,1101 3.853,1102 5.099,1103 3.84,1104 3.656,1105 3.692,1106 3.796,1107 3.524,1108 4.801,1109 3.535,1110 3.261,1111 3.32,1112 3.607,1113 3.052,1114 4.653,1115 3.039,1116 3.058,1117 3.121,1118 3.358,1119 2.972,1120 4.388,1121 2.924,1122 3.01,1123 3.049,1124 3.071,1125 2.905,1126 4.089,1127 2.87,1128 2.898,1129 2.956,1130 2.832,1131 2.733,1132 3.85,1133 2.734,1134 2.826,1135 2.888,1136 2.809,1137 2.697,1138 3.723,1139 2.68,1140 0.176,1141 0.123,1142 0.254,1143 0.156,1144 0.121,1145 4.753,1146 0.18,1147 3.319,1148 0.032,1149 6.865,1150 0.425,1151 4.21,1152 0.114,1153 3.271,1154 4.851,1155 0.86,1156 11.488,1157 3.071,1158 1.942,1159 1.924,1160 2.002,1161 2.042,1162 1.154,1163 2.029,1164 1.882,1165 1.863,1166 1.929,1167 1.965,1168 1.066,1169 1.97,1170 1.722,1171 1.709,1172 1.714,1173 1.826,1174 0.889,1175 1.825,1176 1.21,1177 1.156,1178 1.557,1179 1.505,1180 0.577,1181 1.527,1182 0.993,1183 0.96,1184 1.127,1185 1.203,1186 0.251,1187 1.197,1188 0.976,1189 0.923,1190 1.123,1191 1.084,1192 0.22,1193 1.139,1194 0.86,1195 0.804,1196 1.094,1197 1.068,1198 0.149,1199 1.078,1200 0.801,1201 0.752,1202 0.968,1203 0.941,1204 0.064,1205 0.958,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.066,1214 10.225,1215 3.255,1216 1.636,1218 14.09,1223 3.064,1224 5.272,1231 26.009,1232 67.229,1233 135.609,1234 159.26,1235 174.77,1236 174.77,1237 174.77,1238 34.06,1239 7.629,1240 47.04,1241 75.28,1242 23,1243 12.62,1244 4.459,1245 3.524,1246 33.814,1247 80,1248 84,1249 0.212,1250 166.542,1251 271.51,1252 398.123,1253 20841,1254 5.7,1255 16.681,1256 0.695,1257 0.621,1258 17.165,1259 14.911,1260 11.652,1261 0.432,1262 0.322,1263 7.092,1264 10.182,1265 6.81,1266 5.61,1267 12.227,1268 8.698,1269 10.657,1270 0.273,1271 0.182,1272 11.559,1273 7.081,1274 9.335,1275 0.173,1276 0.098,1277 10.309,1278 5.286,1279 7.992,1280 0.108,1281 0.053,1282 8.862,1283 3.952,1284 6.706,1285 0.068,1286 0.029,1287 8.044,1288 2.832,1289 0.325,1290 85.665,1291 0.234,1292 23.093,1293 0.602,1294 132,1295 456.985,1296 235.809,1297 474.759,1298 637.97,1299 444,1300 159,1301 427.538,1302 225.561,1303 458.055,1304 675.45,1305 430,1306 6.149} {0 CHEMBL2313925,1 1.821,2 10.48,3 4.803,4 23.072,5 95.937,6 9.113,7 0.75,8 3.811,9 3.896,10 3.596,11 3.413,12 5.034,13 3.403,14 4.295,15 4.422,16 3.989,17 3.791,18 5.499,19 3.767,20 4.409,21 4.53,22 4.104,23 3.871,24 5.66,25 3.842,26 4.47,27 4.624,28 3.98,29 3.854,30 5.701,31 3.785,32 4.449,33 4.662,34 3.827,35 3.762,36 5.589,37 3.67,38 4.32,39 4.496,40 3.805,41 3.647,42 5.542,43 3.587,44 4.169,45 4.342,46 3.594,47 3.474,48 5.439,49 3.431,50 4.029,51 4.208,52 3.423,53 3.314,54 5.203,55 3.29,56 0.097,57 0.631,58 5.527,59 3.532,60 5.87,61 3.539,62 0.349,63 1.008,64 12.878,65 6.09,66 23.58,67 5.83,68 0.381,69 1.238,70 15.411,71 6.617,72 26.757,73 6.358,74 0.487,75 1.265,76 17.965,77 7.779,78 38.191,79 7.695,80 0.413,81 1.211,82 20.653,83 8.022,84 38.089,85 9.307,86 0.421,87 1.172,88 20.145,89 7.164,90 36.501,91 6.68,92 0.412,93 0.941,94 13.597,95 5.36,96 31.717,97 5.699,98 0.247,99 0.733,100 10.809,101 4.484,102 18.472,103 4.861,104 14,105 40,106 0.319,107 0.653,108 0.75,109 0.828,110 0.846,111 0.855,112 3.268,113 0.892,114 -4.49,115 -4.41,116 -4.16,119 46.2,123 2,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 5,164 1,166 1,168 6,172 5,176 3,178 3,182 6,185 1,187 1,190 1,194 4,197 1,199 2,202 1,205 1,206 2,211 1,213 3,216 2,217 2,220 1,224 4,229 1,237 5,241 1,242 2,250 2,255 875,256 17.273,257 17.273,258 17.273,259 17.273,260 17.273,261 14.842,262 18.07,263 9.963,264 18.017,265 13.702,266 13.702,267 13.702,268 13.702,269 13.702,270 9.912,271 25.557,272 4.575,273 14.779,274 3.465,275 1.556,276 1.001,277 0.552,278 0.449,279 0.398,280 3.968,284 1,285 572,286 2.739,288 36.75,289 175.159,291 149.637,295 1.539,296 25.499,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 55,307 262,308 4.753,309 3.317,310 6.865,311 4.21,312 3.271,313 4.851,314 0.86,315 11.488,316 3.071,317 4.261,318 3.188,319 6.146,320 3.838,321 2.888,322 3.913,323 0.86,324 9.046,325 2.735,326 4.04,327 2.84,328 5.942,329 3.561,330 2.615,331 3.708,332 0.4,333 8.307,334 2.462,335 3.648,336 2.673,337 5.381,338 3.236,339 2.303,340 3.057,342 6.89,343 2.142,344 3.491,345 2.477,346 5.215,347 3.074,348 2.145,349 2.813,351 6.43,352 1.981,353 3.286,354 1.943,355 4.989,356 2.708,357 1.815,358 2.652,360 5.495,361 1.604,362 2.921,363 1.779,364 4.518,365 2.429,366 1.509,367 2.103,369 4.305,370 1.372,371 2.841,372 1.476,373 4.121,374 2.308,375 1.384,376 1.986,378 3.574,379 1.267,380 2.752,381 1.317,382 3.841,383 2.232,384 1.284,385 1.866,386 3.091,387 1.209,388 2.065,389 1.128,390 3.293,391 1.606,392 0.711,393 0.914,394 1.641,395 0.627,396 1.777,397 1.027,398 3.039,399 1.431,400 0.557,401 0.655,402 1.024,403 0.481,404 1.598,405 0.656,406 2.832,407 1.249,408 0.392,409 0.464,411 0.643,412 0.332,413 1.339,414 0.439,415 2.729,416 0.984,417 0.102,418 0.124,420 0.197,421 0.089,422 1.019,423 -0.01,424 2.405,425 0.567,426 -0.333,427 -0.43,429 -0.78,430 -0.293,431 0.804,432 -0.262,433 2.345,434 0.297,435 -0.63,436 -0.816,438 -1.531,439 -0.567,440 11.986,441 0.479,442 0.568,443 0.023,444 36.25,445 1.45,446 19.5,447 0.78,448 16.75,449 0.67,450 17.659,451 0.706,452 25.814,453 0.662,454 25.204,455 1.008,456 7.268,457 0.291,458 4.922,459 0.197,460 0.107,462 0.375,464 1,466 0.758,467 1.02,468 0.652,469 0.9,470 0.592,471 0.814,472 1.078,473 0.776,474 0.777,475 0.674,476 0.725,477 0.639,478 1.054,479 1.181,480 0.998,481 1.093,482 0.991,483 0.94,484 0.921,485 1.174,486 1.162,487 1.189,488 1.09,489 1.152,490 0.665,491 0.967,492 0.934,493 0.969,494 0.811,495 0.932,496 1.211,497 1.298,498 1.386,499 1.248,500 1.526,501 1.021,502 0.912,503 1.013,504 1.066,505 1.037,506 1.09,507 1.033,508 1.008,509 1.016,510 0.749,511 0.938,512 0.824,513 0.975,514 5,515 0.095,516 2.889,517 1.951,518 1.595,519 0.726,520 0.572,521 0.424,522 0.183,523 0.196,524 7036,525 22398,526 2.13,527 35.9,529 12,531 1,532 1,536 1.681,537 2,538 3.338,539 -0.277,545 71.014,546 1.821,547 3.73,548 4.285,549 4.734,550 4.836,551 4.888,552 2.855,553 4.324,554 4.612,555 3.448,556 1034.54,557 7.982,558 12173.2,560 1,563 206.131,564 1.388,565 4.579,566 0.179,567 0.008,568 0.072,569 0.046,570 0.044,571 0.023,572 0.019,573 0.016,574 0.008,575 0.012,576 0.427,577 0.17,578 1,579 0.844,580 119.561,581 -0.066,582 -0.102,583 0.054,584 -0.017,585 -0.062,586 0.009,587 -0.135,588 0.147,589 0.115,590 0.281,591 -0.03,592 0.24,593 -0.084,594 -0.123,595 -0.011,596 -0.076,597 -0.049,598 -0.067,599 0.017,600 -0.104,601 -0.144,602 -0.166,603 -0.047,604 -0.222,605 0.104,606 -0.002,607 0.124,608 0.051,609 0.103,610 0.113,611 -0.126,612 -0.092,613 -0.162,614 -0.117,615 -0.154,616 -0.055,617 0.132,618 0.074,619 -0.125,620 -0.094,621 0.064,622 -0.112,623 -0.087,624 -0.122,625 0.037,626 -0.094,627 0.002,628 -0.035,629 2.075,630 6.227,631 0.76,632 21.04,633 1.022,634 1.12,635 3.256,636 10.605,637 0.72,638 3.367,639 3.714,640 4.043,641 4.344,642 4.625,643 4.754,644 4.927,645 5.094,646 5.13,647 5.209,648 5.876,649 0.698,650 355.42,651 3.367,652 4.92,653 5.796,654 6.693,655 7.589,656 8.495,657 9.399,658 10.309,659 11.218,660 12.131,661 7.7,669 1,671 2,674 4,675 7,676 2,679 1,680 5,682 21,692 1,697 2,698 1,699 39,700 21,701 2,702 28,704 42,705 18,706 16,707 6,708 6,710 4,711 7,721 16,722 2,734 1,736 14,737 6,738 1,739 7,740 1,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,779 1,781 2,783 1,785 25,790 1,791 2,797 1,800 1,801 5.1,806 2,808 12.5,809 7.876,810 5.556,811 2.095,812 4.342,813 1.563,814 1.029,815 4.236,816 12.06,817 3.676,818 4.379,819 5.08,820 5.771,821 6.417,822 6.855,823 7.372,824 7.89,825 8.189,826 8.586,827 1,828 42,829 9.205,831 3.952,832 7.833,833 17.284,835 14.075,837 2.333,838 58.333,842 153.024,843 149.421,844 51.582,846 22,847 14.96,848 31.278,849 118.143,850 175.024,851 66.542,852 21.766,854 56.857,855 45.342,856 75.711,857 18.78,858 172.531,860 153.024,861 169.725,862 36.96,863 31.278,865 167.984,866 22,869 28.773,870 107.381,871 33.571,872 31.278,873 167.984,874 73.582,875 149.421,878 153.024,879 62.179,880 87.242,881 18.011,882 70.531,883 153.024,884 88.542,885 149.421,887 0.581,888 0.357,889 0.195,890 0.111,891 21,892 9,893 0.095,894 4,895 2,896 1.211,897 3.684,898 216.449,899 0.211,900 19,901 116.096,902 1,904 16.185,905 6.543,906 2.921,907 3.74,908 88.542,909 11.945,910 8.664,913 1.536,914 1.728,916 18.011,917 390.987,918 38.5,926 39.851,927 43.665,928 0.345,929 0.706,930 0.811,931 0.896,932 0.915,933 0.925,934 4.907,935 1.384,936 5.79,937 4.305,938 4.394,939 5.066,940 1.454,941 6.637,942 4.252,943 6.15,944 1.284,945 7.37,946 3.574,947 4.007,948 5.007,950 7.591,951 3.804,952 7.487,953 0.711,954 9.047,955 3.091,956 6.023,957 7.428,958 1.175,959 10.712,960 5.767,961 8.865,962 0.557,963 10.781,964 1.641,965 6.463,966 8.219,968 12.502,969 6.133,970 10.275,971 0.392,972 12.552,973 1.024,974 7.943,975 10.112,976 0.966,977 15.151,978 7.576,979 11.709,980 0.102,981 14.349,982 0.643,983 8.768,984 11.313,986 17.305,987 8.322,988 13.162,989 -0.333,990 16.166,991 0.197,992 10.041,993 12.998,994 0.788,995 19.801,996 9.555,997 3.271,998 -0.63,999 17.999,1000 -0.78,1001 11.048,1002 14.399,1004 22.114,1005 10.485,1006 2.888,1007 11.488,1008 19.844,1009 -1.531,1010 12.243,1011 16.004,1012 0.634,1013 24.562,1014 11.633,1015 2.615,1016 9.046,1017 21.7,1018 4.851,1019 13.335,1020 17.498,1022 26.944,1023 12.652,1024 2.303,1025 8.307,1026 23.565,1027 3.913,1028 14.504,1029 19.076,1030 0.504,1031 29.38,1032 13.768,1033 2.145,1034 6.89,1035 25.437,1036 3.708,1037 15.636,1038 20.613,1040 31.792,1041 14.831,1042 1.815,1043 6.43,1044 27.317,1045 3.057,1046 16.8,1047 22.185,1048 0.395,1049 34.227,1050 15.937,1051 1.509,1052 5.495,1053 29.202,1054 2.813,1055 17.952,1056 23.742,1058 36.653,1059 17.022,1060 6731,1061 12142,1062 18.898,1063 28.08,1064 41.864,1065 43.178,1066 43.844,1067 41.866,1068 41.951,1069 58.21,1070 4.24,1071 124.264,1072 38.743,1073 5.526,1074 5.317,1075 6.414,1076 5.342,1077 5.271,1078 7.851,1079 1.72,1080 18.879,1081 5.071,1082 11.299,1083 1.495,1084 1.542,1085 1.566,1086 1.495,1087 1.498,1088 2.079,1089 0.151,1090 4.438,1091 1.384,1092 4.164,1093 4.173,1094 4.399,1095 4.167,1096 8.201,1097 4.123,1098 3.913,1099 3.935,1100 3.88,1101 3.82,1102 5.1,1103 3.828,1104 3.659,1105 3.695,1106 3.621,1107 3.521,1108 4.821,1109 3.534,1110 3.291,1111 3.346,1112 3.363,1113 3.048,1114 4.79,1115 3.053,1116 3.236,1117 3.303,1118 3.155,1119 2.987,1120 4.408,1121 2.982,1122 3.021,1123 3.068,1124 3.041,1125 2.938,1126 4.331,1127 2.902,1128 2.959,1129 3.039,1130 2.813,1131 2.745,1132 3.985,1133 2.739,1134 2.897,1135 2.956,1136 2.785,1137 2.733,1138 3.849,1139 2.734,1140 0.17,1141 0.118,1142 0.245,1143 0.15,1144 0.117,1145 4.753,1146 0.173,1147 3.317,1148 0.031,1149 6.865,1150 0.41,1151 4.21,1152 0.11,1153 3.271,1154 4.851,1155 0.86,1156 11.488,1157 3.071,1158 1.942,1159 1.924,1160 2.004,1161 2.047,1162 1.154,1163 2.032,1164 1.881,1165 1.862,1166 1.956,1167 1.982,1168 1.06,1169 1.98,1170 1.723,1171 1.709,1172 1.722,1173 1.839,1174 0.888,1175 1.834,1176 1.217,1177 1.161,1178 1.568,1179 1.527,1180 0.578,1181 1.538,1182 1.192,1183 1.125,1184 1.553,1185 1.495,1186 0.572,1187 1.519,1188 0.992,1189 0.957,1190 1.131,1191 1.18,1192 0.251,1193 1.177,1194 0.92,1195 0.845,1196 1.126,1197 1.083,1198 0.201,1199 1.137,1200 0.86,1201 0.804,1202 1.096,1203 1.068,1204 0.149,1205 1.078,1206 4.043,1208 5.38,1209 2.398,1210 6.925,1211 4.844,1212 8.563,1213 7.066,1214 10.249,1216 3.134,1218 14.227,1223 3.054,1224 10.304,1231 27.225,1232 71.014,1233 145.46,1234 167.111,1235 184.621,1236 188.621,1237 190.621,1238 36.233,1239 7.718,1240 56.27,1241 84.51,1242 23,1243 12.645,1244 4.459,1245 3.524,1246 35.916,1247 87,1248 99,1249 0.205,1250 168.217,1251 278.32,1252 402.209,1253 23376,1254 2.6,1255 17.389,1256 0.696,1257 0.574,1258 16.872,1259 14.355,1260 12.19,1261 0.435,1262 0.297,1263 7.426,1264 11.136,1265 7.152,1266 5.937,1267 12.188,1268 8.328,1269 10.826,1270 0.271,1271 0.16,1272 10.912,1273 6.387,1274 9.758,1275 0.174,1276 0.09,1277 10.14,1278 5.038,1279 8.205,1280 0.108,1281 0.049,1282 8.84,1283 3.752,1284 6.968,1285 0.069,1286 0.026,1287 7.67,1288 2.667,1289 0.317,1290 81.637,1291 0.23,1292 24.017,1293 0.575,1294 136,1295 486.066,1296 176.817,1297 458.967,1298 626.97,1299 432,1300 164,1301 444.35,1302 204.955,1303 462.083,1304 679.68,1305 432,1306 6.149} {0 CHEMBL2313926,1 1.668,2 10.458,3 4.493,4 20.188,5 94.995,6 9.234,7 0.778,8 3.723,9 3.81,10 3.532,11 3.401,12 4.968,13 3.374,14 4.181,15 4.299,16 3.915,17 3.788,18 5.349,19 3.738,20 4.335,21 4.469,22 4.008,23 3.867,24 5.501,25 3.805,26 4.365,27 4.536,28 3.865,29 3.807,30 5.505,31 3.714,32 4.285,33 4.49,34 3.697,35 3.683,36 5.35,37 3.582,38 4.152,39 4.317,40 3.613,41 3.616,42 5.27,43 3.513,44 4.075,45 4.26,46 3.424,47 3.469,48 5.186,49 3.379,50 3.892,51 4.07,52 3.266,53 3.312,54 5.08,55 3.241,56 0.036,57 0.512,58 4.652,59 2.828,60 7.052,61 2.947,62 0.175,63 0.833,64 9.849,65 4.985,66 15.427,67 5.036,68 0.164,69 1.009,70 13.796,71 5.963,72 15.344,73 6.077,74 0.2,75 1.042,76 16.103,77 6.759,78 23.774,79 6.971,80 0.173,81 0.953,82 16.707,83 6.578,84 26.178,85 7.293,86 0.201,87 0.862,88 15.863,89 5.956,90 17.563,91 5.88,92 0.209,93 0.744,94 12.328,95 5.048,96 19.741,97 5.683,98 0.152,99 0.618,100 8.021,101 3.665,102 18.867,103 4.035,104 9,105 38,106 0.293,107 0.653,108 0.77,109 0.847,110 0.847,111 0.847,112 3.229,113 0.898,114 -4.3,115 -4.23,116 -4,119 50,123 1,133 7,134 2,135 2,137 1,138 1,139 1,143 2,147 1,159 6,161 1,162 4,164 1,166 2,168 9,172 6,176 3,178 4,182 9,185 1,187 2,190 1,194 4,199 2,202 2,205 1,206 4,209 1,211 1,213 4,216 1,217 2,220 1,224 7,228 1,229 1,237 7,242 3,250 4,255 788,256 16.773,257 16.773,258 16.773,259 16.773,260 16.773,261 14.303,262 17.125,263 9.769,264 17.3,265 13.224,266 13.224,267 13.224,268 13.224,269 13.224,270 9.338,271 24.495,272 4.5,273 14.031,274 3.502,275 1.456,276 0.789,277 0.354,278 0.354,279 0.354,280 3.932,284 1,285 551,286 2.646,288 35.093,289 166.701,291 143.072,295 1.58,296 16.631,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 51,307 251,308 4.753,309 4.057,310 6.864,311 4.209,312 3.269,313 4.851,314 2.035,315 11.485,316 3.07,317 4.14,318 3.297,319 6.035,320 3.694,321 2.731,322 3.774,323 0.86,324 8.666,325 2.64,326 4.033,327 2.886,328 5.505,329 3.534,330 2.565,331 3.65,332 0.4,333 7.358,334 2.466,335 3.706,336 2.708,337 5.359,338 3.251,339 2.301,340 3.075,342 6.843,343 2.181,344 3.539,345 2.451,346 5.117,347 3.024,348 2.061,349 2.823,351 6.183,352 1.974,353 3.285,354 2.153,355 4.956,356 2.699,357 1.805,358 2.65,360 5.454,361 1.596,362 2.974,363 1.842,364 4.444,365 2.343,366 1.432,367 2.086,369 4.101,370 1.293,371 2.884,372 1.492,373 3.841,374 2.239,375 1.3,376 1.901,378 3.094,379 1.214,380 2.763,381 1.317,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.5,389 1.043,390 3.282,391 1.606,392 0.689,393 1.109,394 1.592,395 0.624,396 2.044,397 1,398 2.972,399 1.463,400 0.549,401 0.833,402 0.93,403 0.498,404 1.614,405 0.656,406 2.829,407 1.254,408 0.389,409 0.474,411 0.641,412 0.333,413 1.388,414 0.337,415 2.605,416 0.89,417 -0.028,418 -0.039,420 -0.059,421 -0.025,422 0.987,423 -0.107,424 2.402,425 0.453,426 -0.479,427 -0.684,429 -1.007,430 -0.442,431 0.804,432 -0.363,433 2.249,434 0.267,435 -0.671,436 -0.938,438 -1.665,439 -0.611,440 11.767,441 0.49,442 0.478,443 0.02,444 37.75,445 1.573,446 22,447 0.917,448 15.75,449 0.656,450 15.217,451 0.634,452 23.033,453 0.64,454 24.347,455 1.014,456 7.279,457 0.303,458 4.5,459 0.188,460 0.076,462 0.34,466 0.87,467 1.036,468 0.66,469 0.809,470 0.547,471 0.744,472 1.13,473 0.783,474 0.81,475 0.724,476 0.6,477 0.716,478 1.016,479 1.238,480 1.014,481 1.129,482 0.683,483 0.985,484 0.946,485 1.149,486 1.174,487 1.191,488 1.02,489 1.123,490 0.906,491 1.005,492 1.062,493 0.991,494 0.896,495 0.934,496 0.87,497 1.09,498 1.603,499 1.376,500 0.574,501 1.152,502 0.78,503 0.962,504 1.1,505 1.077,506 0.752,507 1.094,508 1.191,509 0.847,510 0.876,511 0.812,512 0.918,513 1.009,514 4.5,515 0.078,516 2.444,517 1.639,518 1.324,519 0.615,520 0.55,521 0.293,522 0.165,523 0.151,524 6495,525 20003,526 2.161,527 33.3,529 10,531 1,532 1,536 1.669,537 2.057,538 3.34,539 -0.301,541 1,545 60.039,546 1.668,547 3.714,548 4.381,549 4.816,550 4.816,551 4.816,552 2.872,553 3.554,554 4.551,555 3.447,556 951.501,557 7.855,558 10918.6,560 1,562 1,563 186.117,564 1.281,565 4.532,566 0.167,567 0.007,568 0.064,569 0.042,570 0.04,571 0.021,572 0.02,573 0.013,574 0.008,575 0.01,576 0.393,577 0.33,578 1,579 0.789,580 113.499,581 -0.07,582 -0.077,583 0.052,584 0.017,585 0.011,586 0.025,587 -0.074,588 0.196,589 0.072,590 0.205,591 -0.032,592 0.127,593 -0.077,594 -0.24,595 0.004,596 -0.13,597 -0.025,598 -0.095,599 -0.048,600 -0.138,601 -0.099,602 -0.163,603 -0.115,604 -0.165,605 -0.066,606 -0.009,607 0.047,608 0.062,609 -0.039,610 0.108,611 0.01,612 -0.038,613 -0.341,614 -0.232,615 0.022,616 -0.181,617 0.168,618 -0.002,619 -0.127,620 -0.103,621 0.049,622 -0.101,623 -0.166,624 0.111,625 -0.112,626 0.03,627 -0.028,628 -0.082,629 1.039,630 2.883,631 0.792,632 20.708,633 1.01,634 1.105,635 3.066,636 9.399,637 0.755,638 3.332,639 3.664,640 3.989,641 4.29,642 4.575,643 4.7,644 4.883,645 5.05,646 5.063,647 5.142,648 5.846,649 0.725,650 332.41,651 3.332,652 4.875,653 5.746,654 6.637,655 7.529,656 8.43,657 9.331,658 10.238,659 11.145,660 12.056,661 11.1,669 1,670 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,683 1,692 1,697 1,699 36,700 22,701 2,702 27,704 39,705 18,706 16,707 5,708 7,710 4,711 7,720 1,721 16,722 1,733 1,736 12,737 5,738 1,739 6,740 1,743 4,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,785 24,790 1,791 1,796 1,797 1,798 1,799 1,801 2.8,806 1,808 11.667,809 7.1,810 5.361,811 2.013,812 4.492,813 1.589,814 1.041,815 3.758,816 12.121,817 3.701,818 4.366,819 5.08,820 5.766,821 6.411,822 6.858,823 7.379,824 7.885,825 8.18,826 8.583,827 1,828 39,829 8.766,831 3.72,832 7.736,833 16.662,835 13.657,837 2.236,838 53.667,842 129.482,843 153.437,844 82.641,846 11,848 31.278,849 122.159,850 140.482,851 82.641,852 10.883,854 66.334,855 61.944,856 84.591,857 3.82,858 148.989,860 129.482,861 204.801,862 11,863 31.278,865 129.482,866 11,869 59.833,870 111.397,871 33.571,872 31.278,873 129.482,874 93.641,875 153.437,878 129.482,879 51,880 85.835,881 34.612,882 75.63,883 129.482,884 93.641,885 153.437,887 0.576,888 0.351,889 0.192,890 0.109,891 20,892 8,893 0.077,894 3,895 2,896 1.211,897 3.66,898 202.801,899 0.211,900 19,901 106.039,902 1,904 14.864,905 6.067,906 2.694,907 4.1,908 93.641,909 14.798,910 8.804,913 1.625,914 3.083,916 18.011,917 376.56,918 39.5,926 36.345,927 39.783,928 0.323,929 0.718,930 0.847,931 0.931,932 0.931,933 0.931,934 4.929,935 1.3,936 5.727,937 4.101,938 4.344,939 5.053,940 2.405,941 6.558,942 4.231,943 6.171,944 1,945 7.292,946 3.094,947 3.892,948 4.913,950 7.486,951 3.734,952 7.499,953 0.689,954 8.956,955 2.275,956 5.953,957 7.404,958 3.595,959 10.607,960 5.743,961 8.866,962 0.549,963 10.679,964 1.592,965 6.347,966 8.152,968 12.399,969 6.074,970 10.266,971 0.389,972 12.441,973 0.93,974 7.853,975 10.076,976 4.968,977 15.05,978 7.539,979 11.69,980 -0.028,981 14.232,982 0.641,983 8.65,984 11.258,986 17.218,987 8.261,988 13.135,989 -0.479,990 16.045,991 -0.059,992 9.936,993 12.958,994 6.379,995 19.72,996 9.504,997 3.269,998 -0.671,999 17.875,1000 -1.007,1001 10.931,1002 14.354,1004 22.048,1005 10.42,1006 2.731,1007 11.485,1008 19.72,1009 -1.665,1010 12.134,1011 15.967,1012 7.797,1013 24.504,1014 11.573,1015 2.565,1016 8.666,1017 21.578,1018 4.851,1019 13.223,1020 17.463,1022 26.897,1023 12.585,1024 2.301,1025 7.358,1026 23.446,1027 3.774,1028 14.399,1029 19.046,1030 9.217,1031 29.34,1032 13.703,1033 2.061,1034 6.843,1035 25.324,1036 3.65,1037 15.533,1038 20.586,1040 31.759,1041 14.764,1042 1.805,1043 6.183,1044 27.208,1045 3.075,1046 16.703,1047 22.162,1048 10.638,1049 34.199,1050 15.872,1051 1.432,1052 5.454,1053 29.1,1054 2.823,1055 17.86,1056 23.722,1058 36.63,1059 16.958,1060 6179,1061 10959,1062 18.493,1063 27.171,1064 41.357,1065 43.473,1066 41.683,1067 40.143,1068 40.187,1069 57.453,1070 6.589,1071 117.241,1072 37.776,1073 5.515,1074 6.057,1075 6.417,1076 5.34,1077 5.269,1078 7.851,1079 4.069,1080 18.869,1081 5.07,1082 9.248,1083 1.532,1084 1.61,1085 1.544,1086 1.487,1087 1.488,1088 2.128,1089 0.244,1090 4.342,1091 1.399,1092 4.163,1093 4.173,1094 4.399,1095 4.167,1096 6.82,1097 4.123,1098 3.913,1099 3.942,1100 3.868,1101 3.851,1102 5.101,1103 3.85,1104 3.66,1105 3.698,1106 3.623,1107 3.525,1108 4.805,1109 3.538,1110 3.281,1111 3.336,1112 3.367,1113 3.089,1114 4.697,1115 3.109,1116 3.199,1117 3.263,1118 3.206,1119 3.011,1120 4.386,1121 2.997,1122 3.018,1123 3.054,1124 3.044,1125 2.938,1126 4.047,1127 2.902,1128 2.881,1129 2.954,1130 2.768,1131 2.735,1132 3.85,1133 2.715,1134 2.854,1135 2.925,1136 2.687,1137 2.709,1138 3.674,1139 2.703,1140 0.176,1141 0.15,1142 0.254,1143 0.156,1144 0.121,1145 4.753,1146 0.18,1147 4.057,1148 0.075,1149 6.864,1150 0.425,1151 4.209,1152 0.114,1153 3.269,1154 4.851,1155 2.035,1156 11.485,1157 3.07,1158 1.945,1159 1.926,1160 2.017,1161 2.047,1162 1.154,1163 2.036,1164 1.906,1165 1.884,1166 1.986,1167 1.982,1168 1.08,1169 1.989,1170 1.73,1171 1.716,1172 1.723,1173 1.839,1174 0.891,1175 1.837,1176 1.214,1177 1.161,1178 1.558,1179 1.507,1180 0.577,1181 1.528,1182 1.139,1183 1.093,1184 1.233,1185 1.342,1186 0.252,1187 1.314,1188 0.992,1189 0.957,1190 1.181,1191 1.088,1192 0.226,1193 1.144,1194 0.886,1195 0.821,1196 1.127,1197 1.062,1198 0.218,1199 1.107,1200 0.845,1201 0.788,1202 0.975,1203 1.047,1204 0.092,1205 1.03,1206 4.007,1208 5.333,1209 2.398,1210 6.868,1211 4.844,1212 8.496,1213 7.066,1214 10.173,1216 1.659,1223 3.306,1224 5.295,1229 8.883,1230 2.113,1231 26.095,1232 60.039,1233 133.711,1234 157.711,1235 173.362,1236 173.362,1237 173.362,1238 27.878,1239 7.629,1240 70.83,1241 99.07,1242 23,1243 12.572,1244 4.524,1245 3.755,1246 33.904,1247 83,1248 98,1249 0.203,1250 163.962,1251 269.18,1252 391.827,1253 21019,1255 16.518,1256 0.688,1257 0.566,1258 16.872,1259 13.593,1260 11.78,1261 0.436,1262 0.299,1263 7.241,1264 10.948,1265 6.981,1266 5.801,1267 12.188,1268 8.084,1269 10.296,1270 0.271,1271 0.164,1272 10.912,1273 6.231,1274 9.3,1275 0.175,1276 0.092,1277 10.14,1278 4.885,1279 7.828,1280 0.109,1281 0.051,1282 8.84,1283 3.665,1284 6.665,1285 0.069,1286 0.027,1287 7.67,1288 2.631,1289 0.315,1290 77.545,1291 0.233,1292 23.301,1293 0.567,1294 130,1295 387.864,1296 164.802,1297 404.527,1298 561.3,1299 380,1300 156,1301 402.88,1302 191.207,1303 429.87,1304 627.76,1305 403,1306 5.585} {0 CHEMBL2313927,1 1.89,2 10.077,3 5.557,4 30.875,5 95.231,6 9.879,7 0.724,8 3.797,9 3.881,10 3.632,11 3.412,12 5.054,13 3.414,14 4.317,15 4.433,16 4.114,17 3.802,18 6.058,19 3.795,20 4.415,21 4.543,22 4.13,23 3.881,24 5.733,25 3.856,26 4.512,27 4.683,28 4.034,29 3.831,30 5.833,31 3.793,32 4.417,33 4.61,34 3.905,35 3.72,36 5.76,37 3.671,38 4.315,39 4.49,40 3.744,41 3.654,42 5.577,43 3.592,44 4.191,45 4.363,46 3.738,47 3.528,48 5.593,49 3.492,50 4.094,51 4.232,52 3.796,53 3.385,54 5.559,55 3.411,56 0.189,57 0.783,58 3.806,59 3.457,60 23.545,61 3.098,62 0.892,63 1.619,64 10.323,65 6.152,66 135.1,67 5.221,68 0.445,69 1.406,70 12.553,71 6.779,72 33.723,73 6.314,74 0.705,75 1.529,76 18.23,77 8.287,78 82.13,79 7.415,80 0.677,81 1.365,82 17.584,83 7.25,84 65.431,85 7.272,86 0.607,87 1.205,88 18.829,89 7.194,90 74.554,91 6.303,92 0.523,93 1.087,94 11.467,95 5.409,96 51.532,97 5.671,98 0.398,99 1.19,100 12.345,101 5.55,102 38.231,103 4.312,104 21,105 43,106 0.332,107 0.658,108 0.788,109 0.879,110 0.879,111 0.879,112 3.305,113 0.872,114 -5.5,115 -5.38,116 -5.02,119 47.4,123 1,127 1,133 7,134 2,135 2,137 1,138 1,139 1,143 2,159 6,161 1,162 3,164 1,166 2,168 9,172 4,176 3,178 4,182 7,185 1,187 2,190 1,194 4,199 2,202 2,205 1,206 4,211 1,213 4,216 1,217 2,220 1,224 7,229 1,237 7,242 2,250 4,255 970,256 17.375,257 17.375,258 17.375,259 17.375,260 17.375,261 15.035,262 18.255,263 9.945,264 18.143,265 14.288,266 14.288,267 14.288,268 14.288,269 14.288,270 10.643,271 28.222,272 4.66,273 15.557,274 3.358,275 1.504,276 0.767,277 0.25,278 0.25,279 0.25,280 4,284 1,285 567,286 3.464,288 38.648,289 184.703,291 156.93,295 1.627,296 38.934,299 0.75,300 1,301 1,302 0.4,304 1,305 0.74,306 59,307 262,308 4.753,309 4.46,310 7.116,311 4.213,312 3.322,313 4.851,314 3.825,315 11.691,316 3.07,317 4.453,318 3.297,319 6.864,320 4.175,321 3.266,322 3.879,323 0.86,324 11.484,325 2.895,326 4.081,327 2.884,328 6.034,329 3.637,330 2.694,331 3.722,332 0.4,333 8.664,334 2.521,335 3.787,336 2.695,337 5.463,338 3.383,339 2.44,340 3.139,342 7.227,343 2.274,344 3.577,345 2.37,346 5.291,347 3.129,348 2.189,349 2.964,351 6.646,352 2.041,353 3.286,354 1.913,355 4.98,356 2.711,357 1.816,358 2.653,360 5.491,361 1.609,362 2.961,363 1.781,364 4.567,365 2.506,366 1.58,367 2.132,369 4.566,370 1.435,371 2.869,372 1.477,373 4.381,374 2.315,375 1.403,376 2.031,378 3.956,379 1.268,380 2.75,381 1.315,382 3.841,383 2.23,384 1.285,385 1.861,386 3.093,387 1.206,388 2.57,389 1.177,390 3.493,391 2.092,392 1.112,393 1.6,394 2.542,395 1.078,396 2.038,397 1.034,398 3.267,399 1.528,400 0.638,401 0.857,402 1.518,403 0.558,404 1.609,405 0.596,406 2.902,407 1.266,408 0.403,409 0.477,411 0.672,412 0.344,413 1.303,414 0.51,415 2.823,416 0.889,417 -0.031,418 -0.041,420 -0.081,421 -0.029,422 0.877,423 0.51,424 2.71,425 0.408,426 -0.528,427 -0.709,429 -1.244,430 -0.487,431 0.803,432 0.091,433 2.403,434 0.266,435 -0.676,436 -0.926,438 -1.75,439 -0.616,440 12.224,441 0.47,442 0.805,443 0.031,444 36.25,445 1.394,446 19,447 0.731,448 17.25,449 0.663,450 19.09,451 0.734,452 27.376,453 0.72,454 27.289,455 1.05,456 7.244,457 0.279,458 5.209,459 0.2,460 0.111,461 0.041,462 0.327,463 3,466 0.622,467 0.874,468 0.609,469 0.847,470 0.591,471 0.779,472 0.564,473 0.598,474 0.708,475 0.703,476 0.378,477 0.719,478 0.69,479 0.996,480 0.918,481 1.135,482 0.528,483 1.02,484 1.031,485 1.047,486 1.163,487 1.109,488 1.018,489 1.086,490 0.764,491 0.792,492 1.044,493 0.946,494 0.767,495 0.966,496 1.001,497 0.929,498 1.559,499 1.199,500 0.994,501 1.107,502 0.561,503 0.709,504 0.865,505 0.922,506 0.568,507 0.999,508 1.064,509 1.418,510 0.942,511 1.433,512 1.082,513 1.151,514 6.5,515 0.104,516 3.111,517 2.264,518 1.502,519 0.796,520 0.674,521 0.385,522 0.316,523 0.277,524 7741,525 29625,526 2.092,527 31.6,529 10,531 1,532 1,536 1.692,537 1.938,538 3.314,539 -0.256,545 71.833,546 1.89,547 3.744,548 4.481,549 4.998,550 4.998,551 4.998,552 2.763,553 4.075,554 4.672,555 3.465,556 1126.17,557 8.1,558 13722.2,563 199.421,564 1.619,565 4.616,566 0.224,567 0.007,568 0.072,569 0.053,570 0.04,571 0.023,572 0.022,573 0.013,574 0.012,575 0.014,576 0.481,577 0.33,578 0.88,579 0.881,580 126.117,581 -0.055,582 -0.054,583 0.03,584 0.016,585 -0.104,586 0.026,587 0.329,588 0.375,589 0.126,590 0.244,591 0.456,592 0.126,593 -0.056,594 -0.194,595 0.009,596 -0.148,597 0.018,598 -0.104,599 -0.149,600 -0.098,601 -0.126,602 -0.088,603 -0.131,604 -0.106,605 0.026,606 0.078,607 -0.002,608 0.047,609 0.007,610 0.05,611 -0.172,612 0.003,613 -0.377,614 -0.084,615 -0.165,616 -0.1,617 0.189,618 0.112,619 0.046,621 0.118,622 -0.031,623 -0.073,624 -0.4,625 0.074,626 -0.408,627 -0.082,628 -0.224,629 5.646,630 4.907,631 0.731,632 21.456,633 1.041,634 1.135,635 4.274,636 18.267,637 0.724,638 3.401,639 3.784,640 4.06,641 4.357,642 4.635,643 4.754,644 4.963,645 5.1,646 5.142,647 5.252,648 6.008,649 0.718,650 375.4,651 3.401,652 4.977,653 5.844,654 6.753,655 7.643,656 8.555,657 9.454,658 10.368,659 11.272,660 12.187,661 7.9,669 1,671 2,674 4,675 8,676 2,679 1,680 4,682 21,692 1,697 1,699 38,700 21,701 2,702 29,704 41,705 18,706 16,707 5,708 7,710 4,711 7,715 1,718 1,721 16,722 2,734 3,736 12,737 7,738 1,739 8,740 1,743 3,747 0.5,748 1,755 1,759 1,760 3,762 2,777 2,779 1,781 1,783 3,785 26,790 1,791 1,795 1,797 1,800 3,801 2.6,806 1,808 13.417,809 7.329,810 5.528,811 2.07,812 4.352,813 1.558,814 1.044,815 4.198,816 12.151,817 3.701,818 4.404,819 5.08,820 5.773,821 6.415,822 6.85,823 7.388,824 7.885,825 8.183,826 8.592,827 0.857,828 43,829 9.987,831 4.748,832 8.208,833 17.576,835 14.55,837 2.708,838 70.417,842 129.482,843 144.595,844 51.582,846 11,847 44.88,848 31.278,849 113.317,850 140.482,851 96.462,852 10.883,854 66.334,855 45.342,856 98.412,857 3.82,858 148.989,859 7.76,860 129.482,861 164.899,862 55.88,863 31.278,865 129.482,866 55.88,869 36.533,870 94.795,871 33.571,872 31.278,873 174.362,874 62.582,875 144.595,878 137.242,879 51,880 85.835,881 18.011,882 89.451,883 129.482,884 107.462,885 144.595,887 0.596,888 0.344,889 0.183,890 0.105,891 23,892 10,893 0.073,894 3,895 2,896 1.211,897 3.719,898 229.102,899 0.211,900 19,901 117.457,902 1,904 17.046,905 6.403,906 3.227,907 3.428,908 107.462,909 12.074,910 8.53,913 1.457,914 0.794,916 18.011,917 381.539,918 39.5,926 39.549,927 43.135,928 0.36,929 0.713,930 0.854,931 0.952,932 0.952,933 0.952,934 4.958,935 1.403,936 5.883,937 4.566,938 4.466,939 5.091,940 3.12,941 6.767,942 4.305,943 6.22,944 1.285,945 7.494,946 3.956,947 4.29,948 5.075,949 3.903,950 7.96,951 3.965,952 7.572,953 1.112,954 9.213,955 3.093,956 6.18,957 7.443,958 5.425,959 11,960 5.856,961 8.962,962 0.638,963 10.998,964 2.542,965 6.792,966 8.242,967 6.69,968 12.98,969 6.293,970 10.383,971 0.403,972 12.824,973 1.518,974 8.221,975 10.121,976 8.058,977 15.611,978 7.706,979 11.827,980 -0.031,981 14.679,982 0.672,983 9.167,984 11.321,985 9.388,986 17.884,987 8.495,988 13.289,989 -0.528,990 16.555,991 -0.081,992 10.433,993 13.001,994 10.734,995 20.391,996 9.716,997 3.322,998 -0.676,999 18.445,1000 -1.244,1001 11.521,1002 14.399,1003 12.074,1004 22.773,1005 10.669,1006 3.266,1007 11.691,1008 20.348,1009 -1.75,1010 12.731,1011 16.003,1012 13.416,1013 25.24,1014 11.813,1015 2.694,1016 11.484,1017 22.26,1018 4.851,1019 13.877,1020 17.496,1021 14.758,1022 27.664,1023 12.843,1024 2.44,1025 8.664,1026 24.18,1027 3.879,1028 15.07,1029 19.074,1030 16.1,1031 30.119,1032 13.957,1033 2.189,1034 7.227,1035 26.105,1036 3.722,1037 16.241,1038 20.61,1039 17.441,1040 32.559,1041 15.025,1042 1.816,1043 6.646,1044 28.035,1045 3.139,1046 17.43,1047 22.182,1048 18.783,1049 35.01,1050 16.129,1051 1.58,1052 5.491,1053 29.969,1054 2.964,1055 18.612,1056 23.739,1057 20.124,1058 37.456,1059 17.214,1060 7433,1061 14705,1062 19.186,1063 27.5,1064 44.779,1065 44.573,1066 45.356,1067 44.436,1068 44.297,1069 60.331,1070 10.171,1071 135.097,1072 40.598,1073 5.531,1074 6.46,1075 6.664,1076 5.345,1077 5.322,1078 7.851,1079 5.335,1080 19.078,1081 5.07,1082 13.287,1083 1.544,1084 1.537,1085 1.564,1086 1.532,1087 1.527,1088 2.08,1089 0.351,1090 4.659,1091 1.4,1092 4.164,1093 4.174,1094 4.399,1095 4.167,1096 8.513,1097 4.124,1098 3.929,1099 3.957,1100 3.896,1101 3.851,1102 7.999,1103 3.853,1104 3.663,1105 3.7,1106 3.626,1107 3.524,1108 7.999,1109 3.537,1110 3.338,1111 3.385,1112 3.382,1113 3.062,1114 5.101,1115 3.098,1116 3.248,1117 3.309,1118 3.325,1119 3.01,1120 4.805,1121 3.012,1122 3.03,1123 3.096,1124 3.072,1125 2.946,1126 4.699,1127 2.908,1128 2.997,1129 3.048,1130 2.876,1131 2.811,1132 4.387,1133 2.811,1134 2.825,1135 2.889,1136 2.679,1137 2.686,1138 4.062,1139 2.674,1140 0.164,1141 0.154,1142 0.245,1143 0.145,1144 0.115,1145 4.753,1146 0.167,1147 4.46,1148 0.132,1149 7.116,1150 0.403,1151 4.213,1152 0.106,1153 3.322,1154 4.851,1155 3.825,1156 11.691,1157 3.07,1158 1.945,1159 1.926,1160 2.016,1161 2.051,1162 1.155,1163 2.039,1164 1.905,1165 1.884,1166 1.986,1167 1.991,1168 1.106,1169 1.993,1170 1.729,1171 1.715,1172 1.723,1173 1.844,1174 0.895,1175 1.839,1176 1.212,1177 1.157,1178 1.558,1179 1.51,1180 0.577,1181 1.528,1182 1.113,1183 1.075,1184 1.214,1185 1.446,1186 0.285,1187 1.355,1188 0.992,1189 0.958,1190 1.191,1191 1.207,1192 0.251,1193 1.203,1194 0.963,1195 0.896,1196 1.127,1197 1.084,1198 0.239,1199 1.141,1200 0.809,1201 0.755,1202 0.971,1203 0.951,1204 0.106,1205 0.969,1206 4.078,1208 5.442,1209 2.398,1210 7,1211 4.844,1212 8.643,1213 7.066,1214 10.33,1216 1.592,1218 38.722,1223 2.977,1224 5.238,1228 -4.396,1231 27.277,1232 71.833,1233 142.26,1234 170.26,1235 189.911,1236 189.911,1237 189.911,1238 45.197,1239 7.799,1240 47.04,1241 75.28,1242 23,1243 12.701,1244 4.459,1245 3.524,1246 38.02,1247 93,1248 98,1249 0.202,1250 166.617,1251 281.67,1252 398.306,1253 26071,1254 7.9,1255 18.311,1256 0.704,1257 0.549,1258 16.165,1259 14.28,1260 12.453,1261 0.429,1262 0.291,1263 7.516,1264 11.369,1265 7.315,1266 6.013,1267 11.65,1268 8.427,1269 12.097,1270 0.281,1271 0.154,1272 10.755,1273 6.62,1274 9.763,1275 0.171,1276 0.089,1277 9.641,1278 5.061,1279 8.244,1280 0.107,1281 0.049,1282 8.738,1283 3.81,1284 7.056,1285 0.069,1286 0.027,1287 7.42,1288 2.711,1289 0.313,1290 83.481,1291 0.228,1292 24.797,1293 0.566,1294 144,1295 620.552,1296 195.125,1297 539.188,1298 714.68,1299 502,1300 172,1301 493.471,1302 217.018,1303 498.918,1304 753.86,1305 467,1306 5} {0 CHEMBL2314163,1 1.71,2 6.313,3 1.759,4 3.095,5 59.028,6 8.609,7 0.833,8 3.397,9 3.492,10 3.089,11 2.895,12 4.65,13 2.939,14 3.857,15 3.984,16 3.454,17 3.244,18 5.083,19 3.289,20 3.93,21 4.045,22 3.488,23 3.292,24 5.207,25 3.323,26 3.949,27 4.099,28 3.279,29 3.22,30 5.145,31 3.2,32 3.843,33 4.076,34 2.887,35 2.974,36 4.856,37 2.902,38 3.54,39 3.758,40 2.589,41 2.629,42 4.646,43 2.572,44 3.236,45 3.49,46 2.171,47 2.217,48 4.302,49 2.113,50 2.769,51 3.005,52 1.654,53 1.777,54 3.818,55 1.724,56 0.088,57 0.388,58 3.879,59 1.974,60 7.102,61 2.058,62 0.244,63 0.579,64 7.854,65 3.284,66 16.983,67 3.445,68 0.313,69 0.612,70 7.979,71 3.409,72 19.266,73 3.638,74 0.329,75 0.61,76 8.879,77 3.705,78 19.847,79 4.17,80 0.232,81 0.516,82 10.126,83 3.507,84 17.686,85 4.65,86 0.235,87 0.378,88 7.258,89 2.281,90 17.644,91 2.875,92 0.179,93 0.254,94 5.877,95 1.881,96 14.592,97 2.722,98 0.136,99 0.162,100 3.695,101 0.888,102 9.511,103 1.034,104 6,105 26,106 0.335,107 0.725,108 0.819,109 0.856,110 0.856,111 0.856,112 2.856,113 0.793,114 -2.26,115 -2.3,116 -2.27,119 44,123 1,133 3,134 1,135 1,137 1,138 1,139 1,143 2,152 1,153 1,154 1,159 2,161 1,162 5,163 1,164 1,168 3,171 2,172 3,173 1,174 1,178 1,181 1,182 5,184 1,185 1,187 1,192 1,194 2,199 2,204 2,205 1,206 1,211 1,215 1,216 1,219 1,220 1,255 188,256 11.025,257 11.025,258 11.025,259 11.025,260 11.025,261 9.318,262 7.476,263 6.343,264 11.354,265 8.82,266 8.82,267 8.82,268 8.82,269 8.82,270 6.189,271 7.151,272 2.921,273 9.244,274 2.934,275 0.94,276 0.46,277 0.27,278 0.27,279 0.27,280 3.532,284 1,285 220,286 2,288 19.432,289 56.361,291 79.753,295 1.102,296 14.957,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 35.5,307 101,308 4.746,309 3.277,310 6.847,311 4.243,312 3.257,313 4.848,314 0.86,315 11.399,316 3.21,317 4.04,318 2.823,319 5.938,320 3.571,321 2.61,322 3.715,324 8.223,325 2.508,326 3.605,327 2.434,328 5.342,329 3.167,330 2.226,331 3.024,333 6.71,334 2.086,335 3.285,336 1.855,337 4.968,338 2.776,339 1.811,340 2.652,342 5.447,343 1.747,344 2.898,345 1.492,346 4.357,347 2.375,348 1.43,349 2.084,351 3.916,352 1.346,353 2.768,354 1.314,355 3.839,356 2.244,357 1.295,358 1.891,360 3.087,361 1.225,362 2.018,363 1.035,364 3.203,365 1.56,366 0.62,367 0.828,369 1.399,370 0.577,371 1.599,372 0.555,373 2.831,374 1.277,375 0.384,376 0.461,378 0.64,379 0.342,380 1.084,381 -0.136,382 2.407,383 0.635,384 -0.287,385 -0.378,386 -0.636,387 -0.264,388 0.804,389 -0.413,390 2.3,391 0.307,392 -0.666,393 -0.899,394 -1.649,395 -0.639,396 0.653,397 -0.714,398 2.245,399 0.187,400 -0.755,401 -1.085,402 -2.02,403 -0.707,404 0.316,405 -1.137,406 2,407 -0.19,408 -1.173,409 -1.71,411 -3.398,412 -1.151,413 -0.052,414 -1.158,415 1.58,416 -0.437,417 -1.355,418 -1.772,420 -3.723,421 -1.239,422 -0.296,423 -1.328,424 1.263,425 -0.686,426 -1.581,427 -1.999,429 -4.21,430 -1.411,431 -0.415,432 -1.875,433 1.189,434 -0.908,435 -1.891,436 -2.807,438 -5.606,439 -1.82,440 7.367,441 0.46,442 0.38,443 0.024,444 24.25,445 1.516,446 13,447 0.813,448 11.25,449 0.703,450 8.29,451 0.518,452 16.633,453 0.665,454 14.528,455 0.908,456 4.96,457 0.31,458 2.832,459 0.177,460 0.122,462 0.407,466 0.979,467 1.231,468 0.668,469 1.023,470 1.11,471 0.805,472 1.195,473 0.812,474 0.692,475 0.759,476 0.871,477 0.635,478 1.067,479 1.044,480 0.867,481 0.974,482 0.836,483 0.903,484 1.008,485 1.18,486 1.141,487 1.216,488 1.022,489 1.227,490 0.865,491 1.063,492 1.027,493 1.093,494 0.824,495 1.097,496 1.118,497 1.061,498 1.261,499 1.056,500 1.358,501 1.165,502 0.524,503 0.954,504 1.006,505 1.184,506 0.585,507 1.218,508 1.817,509 0.829,510 1.577,511 0.683,512 1.628,513 0.978,514 3,516 2,517 1.514,518 0.902,519 0.403,520 0.258,521 0.072,522 0.031,524 1856,525 5783,526 2.135,527 36,529 6,531 1,532 2,536 1.555,537 2,538 2.696,539 0.512,543 1,545 42.758,546 1.71,547 3.703,548 4.183,549 4.374,550 4.374,551 4.374,552 2.203,553 3.5,554 3.971,555 2.749,556 329.907,557 6.704,558 2721.73,560 1,562 1,563 116.096,564 1.406,565 3.933,566 0.167,568 0.077,569 0.058,570 0.045,571 0.031,572 0.029,573 0.014,574 0.01,576 0.431,577 0.67,578 1,579 0.875,580 62.516,581 -0.148,582 -0.133,583 0.037,584 -0.067,585 -0.263,586 0.024,587 -0.126,588 0.216,589 0.15,590 0.204,591 0.002,592 0.238,593 0.034,594 -0.014,595 -0.048,596 -0.026,597 0.083,598 -0.059,600 -0.211,601 -0.258,602 -0.254,603 -0.087,604 -0.317,605 -0.063,606 -0.175,607 0.019,608 -0.106,609 0.029,610 -0.036,611 -0.118,612 -0.131,613 -0.221,614 -0.124,615 -0.237,616 -0.187,617 0.383,618 -0.109,619 0.142,620 -0.211,621 0.449,622 -0.127,623 -0.553,624 0.093,625 -0.435,626 0.204,627 -0.43,628 -0.022,629 1.319,630 2.096,631 0.813,632 8.344,633 1.024,634 1.126,635 1.034,636 1.069,637 0.688,638 2.944,639 3.296,640 3.638,641 3.951,642 4.205,643 4.304,644 4.419,645 4.489,646 4.248,647 4.06,648 3.832,649 0.683,650 215.23,651 2.944,652 4.489,653 5.371,654 6.275,655 7.179,656 8.092,657 9.003,658 9.919,659 10.834,660 11.752,661 12,665 1,671 2,674 4,675 4,676 2,678 1,680 2,682 15,691 1,697 1,699 25,700 15,701 1,702 18,704 27,705 11,706 10,707 3,708 3,710 3,711 6,721 10,722 1,733 1,735 1,736 9,737 5,738 2,739 5,743 3,747 0.333,748 2,755 1,759 1,760 2,762 2,777 1,781 1,785 16,786 1,791 1,801 8,806 2,808 8,809 4.9,810 3.528,811 1.303,812 3.25,813 1.499,814 1.035,815 1.974,816 9.765,817 3.277,818 4.012,819 4.758,820 5.488,821 6.135,822 6.597,823 7.094,824 7.552,825 7.654,826 7.861,827 1,828 26,829 5.834,831 2.489,832 7.813,833 10.907,835 8.809,837 2.313,838 37,839 0.002,842 82.398,843 69.891,844 66.468,846 20.507,849 69.891,850 102.905,851 66.468,852 10.883,854 61.326,855 45.342,856 39.086,857 12,858 70.627,860 82.398,861 136.36,862 20.507,865 82.398,866 20.507,869 10.763,870 92.026,871 33.571,873 82.398,874 86.975,875 69.891,878 82.398,879 21.961,880 47.93,882 86.975,883 82.398,884 86.975,885 69.891,887 0.584,888 0.361,889 0.201,890 0.114,891 15,892 6,893 0.037,894 1,895 2,896 1.308,897 2.822,898 116.448,899 0.308,900 13,901 64,904 9.423,905 3.352,906 1.344,907 2.849,908 86.975,909 6.981,910 8.047,912 5.596,914 1.082,916 32.897,917 239.264,918 25.5,926 25.611,927 28.159,928 0.368,929 0.797,930 0.901,931 0.942,932 0.942,933 0.942,934 4.497,935 0.384,936 5.371,937 1.399,938 3.97,939 4.696,940 0.908,941 6.236,942 3.895,943 5.755,944 -0.287,945 6.961,946 0.64,947 3.611,948 4.691,950 7.235,951 3.528,952 7.102,953 -0.666,954 8.653,955 -0.636,956 5.609,957 7.119,958 0.739,959 10.375,960 5.491,961 8.495,962 -0.755,963 10.404,964 -1.649,965 6.089,966 7.979,968 12.222,969 5.97,970 9.921,971 -1.173,972 12.193,973 -2.02,974 7.566,975 9.876,976 0.593,977 14.889,978 7.423,979 11.374,980 -1.355,981 14.009,982 -3.398,983 8.432,984 11.137,986 17.087,987 8.289,988 12.846,989 -1.581,990 15.845,991 -3.723,992 9.71,993 12.829,994 0.469,995 19.597,996 9.551,997 3.257,998 -1.891,999 17.696,1000 -4.21,1001 10.752,1002 14.272,1004 21.936,1005 10.588,1006 2.61,1007 11.399,1008 19.56,1009 -5.606,1010 11.958,1011 15.887,1012 0.366,1013 24.394,1014 11.781,1015 2.226,1016 8.223,1017 21.434,1018 4.848,1019 13.075,1020 17.407,1022 26.79,1023 12.89,1024 1.811,1025 6.71,1026 23.316,1027 3.715,1028 14.258,1029 18.995,1030 0.283,1031 29.23,1032 14.061,1033 1.43,1034 5.447,1035 25.205,1036 3.024,1037 15.408,1038 20.548,1040 31.648,1041 15.201,1042 1.295,1043 3.916,1044 27.1,1045 2.652,1046 16.585,1047 22.128,1048 0.217,1049 34.083,1050 16.366,1051 0.62,1052 3.087,1053 28.999,1054 2.084,1055 17.75,1056 23.694,1058 36.51,1059 17.52,1060 1850,1061 3355,1062 12.137,1063 17.21,1064 27.254,1065 27.685,1066 28.544,1067 27.225,1068 27.267,1069 39.006,1070 1.72,1071 81.644,1072 26.082,1073 5.301,1074 5.277,1075 6.395,1076 5.314,1077 5.257,1078 7.848,1079 1.72,1080 18.704,1081 5.21,1082 6.501,1083 1.514,1084 1.538,1085 1.586,1086 1.512,1087 1.515,1088 2.167,1089 0.096,1090 4.536,1091 1.449,1092 4.177,1093 4.186,1094 4.161,1095 4.06,1096 5.33,1097 4.082,1098 3.672,1099 3.713,1100 3.624,1101 3.517,1102 4.967,1103 3.539,1104 3.268,1105 3.329,1106 3.146,1107 2.991,1108 4.702,1109 3.016,1110 3.058,1111 3.118,1112 2.969,1113 2.833,1114 4.542,1115 2.855,1116 2.979,1117 3.073,1118 2.803,1119 2.731,1120 4.14,1121 2.729,1122 2.807,1123 2.879,1124 2.649,1125 2.613,1126 3.754,1127 2.622,1128 2.302,1129 2.387,1130 2.124,1131 2.06,1132 3.483,1133 2.066,1134 2.133,1135 2.203,1136 2.031,1137 1.793,1138 3.062,1139 1.842,1140 0.264,1141 0.182,1142 0.38,1143 0.236,1144 0.181,1145 4.746,1146 0.269,1147 3.277,1148 0.048,1149 6.847,1150 0.633,1151 4.243,1152 0.178,1153 3.257,1154 4.848,1155 0.86,1156 11.399,1157 3.21,1158 1.936,1159 1.919,1160 2.003,1161 2.029,1162 1.143,1163 2.02,1164 1.732,1165 1.708,1166 1.788,1167 1.949,1168 0.775,1169 1.904,1170 1.207,1171 1.147,1172 1.566,1173 1.524,1174 0.569,1175 1.534,1176 0.967,1177 0.927,1178 1.189,1179 1.266,1180 0.186,1181 1.256,1182 0.912,1183 0.829,1184 1.168,1185 1.221,1186 0.11,1187 1.193,1188 0.755,1189 0.678,1190 0.971,1191 0.952,1193 0.961,1194 0.556,1195 0.479,1196 0.823,1197 0.831,1199 0.845,1202 0.333,1203 0.307,1205 0.294,1206 3.611,1208 4.949,1209 2.398,1210 6.503,1211 4.844,1212 8.154,1213 7.066,1214 9.854,1216 1.609,1220 5.715,1224 5.121,1231 17.074,1232 42.758,1233 92.587,1234 104.587,1235 109.342,1236 109.342,1237 109.342,1238 16.176,1239 6.515,1240 74.17,1241 74.17,1242 17,1243 12.262,1244 4,1245 3.087,1246 21.713,1247 39,1248 38,1249 0.316,1250 104.917,1251 163.82,1252 247.757,1253 4686,1255 11.121,1256 0.695,1257 0.537,1258 11.121,1259 8.598,1260 7.792,1261 0.433,1262 0.264,1263 4.65,1264 7.352,1265 4.544,1266 3.773,1267 7.792,1268 4.761,1269 6.983,1270 0.269,1271 0.131,1272 6.983,1273 3.401,1274 6.33,1275 0.171,1276 0.067,1277 6.33,1278 2.487,1279 5.404,1280 0.106,1281 0.033,1282 5.404,1283 1.7,1284 4.493,1285 0.068,1286 0.017,1287 4.493,1288 1.132,1289 0.461,1290 49.881,1291 0.287,1292 15.656,1293 0.97,1294 88,1295 296.074,1296 99.665,1297 280.303,1298 390.84,1299 264,1300 107,1301 298.593,1302 119.47,1303 300.257,1304 442.55,1305 281,1306 5.959} {0 CHEMBL2314164,1 1.576,2 9.045,3 4.056,4 16.451,5 82.814,6 8.324,7 0.84,8 3.705,9 3.798,10 3.382,11 3.272,12 4.894,13 3.287,14 4.177,15 4.303,16 3.732,17 3.625,18 5.338,19 3.635,20 4.322,21 4.474,22 3.767,23 3.683,24 5.46,25 3.674,26 4.325,27 4.502,28 3.64,29 3.616,30 5.411,31 3.583,32 4.254,33 4.46,34 3.516,35 3.52,36 5.294,37 3.484,38 4.155,39 4.332,40 3.45,41 3.443,42 5.258,43 3.417,44 4.047,45 4.241,46 3.253,47 3.337,48 5.101,49 3.272,50 3.841,51 4.036,52 2.959,53 3.166,54 4.857,55 3.08,56 0.044,57 0.504,58 5.601,59 2.904,60 5.195,61 3.224,62 0.191,63 0.8,64 10.697,65 4.748,66 15.217,67 5.228,68 0.311,69 0.909,70 13.35,71 5.456,72 20.405,73 6.398,74 0.313,75 0.913,76 14.289,77 5.647,78 21.462,79 6.801,80 0.21,81 0.844,82 14.346,83 5.373,84 20.001,85 6.714,86 0.279,87 0.763,88 12.309,89 4.534,90 21.631,91 5.176,92 0.248,93 0.673,94 11.215,95 4.418,96 17.812,97 5.505,98 0.155,99 0.553,100 8.941,101 3.608,102 14.001,103 4.37,104 3,105 35,106 0.282,107 0.603,108 0.735,109 0.837,110 0.851,111 0.851,112 3.148,113 0.826,114 -3.86,115 -3.82,116 -3.63,119 48.6,123 1,133 8,134 1,135 2,137 1,138 1,139 1,143 2,159 6,161 1,162 5,164 1,166 2,168 7,171 2,172 3,174 1,176 2,178 3,181 1,182 7,185 1,187 2,194 6,199 2,205 1,206 6,211 1,213 2,216 1,217 3,220 1,224 6,229 1,237 7,242 2,250 4,255 606,256 15.455,257 15.455,258 15.455,259 15.455,260 15.455,261 13.05,262 13.8,263 9.185,264 15.816,265 12.33,266 12.33,267 12.33,268 12.33,269 12.33,270 8.694,271 22.151,272 4.326,273 12.818,274 3.553,275 1.751,276 1.015,277 0.443,278 0.364,279 0.364,280 3.853,283 1,284 1,285 441,286 2.345,288 30.039,289 144.589,291 122.993,295 1.417,296 15.116,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47.5,307 199,308 4.752,309 3.297,310 6.864,311 4.252,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.097,318 2.881,319 6.034,320 3.665,321 2.705,322 3.752,323 0.4,324 8.662,325 2.596,326 3.867,327 2.681,328 5.449,329 3.427,330 2.461,331 3.429,333 7.163,334 2.38,335 3.595,336 2.329,337 5.263,338 3.147,339 2.195,340 3.022,342 6.565,343 2.078,344 3.287,345 1.863,346 4.973,347 2.779,348 1.815,349 2.653,351 5.474,352 1.749,353 2.957,354 1.58,355 4.459,356 2.5,357 1.521,358 2.148,360 4.163,361 1.487,362 2.862,363 1.413,364 3.842,365 2.326,366 1.38,367 2.034,369 3.11,370 1.302,371 2.743,372 1.299,373 3.596,374 2.231,375 1.271,376 1.855,378 2.997,379 1.215,380 2.5,381 1.034,382 3.247,383 2,384 1,385 1.5,386 2.136,387 1,388 2.037,389 1,390 3.246,391 1.583,392 0.638,393 0.856,394 1.508,395 0.597,396 1.609,397 0.594,398 2.846,399 1.29,400 0.403,401 0.477,402 0.671,403 0.356,404 1.302,405 0.091,406 2.785,407 0.909,408 -0.031,409 -0.041,411 -0.078,412 -0.029,413 0.865,414 -0.317,415 2.402,416 0.41,417 -0.538,418 -0.722,420 -1.22,421 -0.506,422 0.802,423 -0.567,424 2.249,425 0.293,426 -0.683,427 -0.964,429 -1.776,430 -0.663,431 0.634,432 -0.718,433 2.207,434 0.163,435 -0.783,436 -1.099,438 -2.02,439 -0.733,440 10.367,441 0.471,442 0.41,443 0.019,444 34,445 1.545,446 19,447 0.864,448 15,449 0.682,450 12.579,451 0.572,452 22.033,453 0.63,454 22.166,455 1.008,456 6.93,457 0.315,458 3.918,459 0.178,460 0.048,462 0.338,466 0.906,467 1.208,468 0.67,469 1.001,470 0.861,471 0.828,472 1.177,473 0.973,474 0.808,475 0.901,476 1.02,477 0.813,478 1.024,479 1.101,480 0.906,481 0.987,482 0.922,483 0.94,484 0.992,485 1.147,486 1.001,487 1.062,488 0.972,489 1.037,490 1.053,491 1.031,492 0.902,493 0.922,494 0.989,495 0.881,496 1.388,497 1.009,498 1.121,499 0.907,500 1.306,501 0.949,502 0.893,503 0.925,504 1.086,505 1.015,506 0.919,507 1.071,508 1.064,509 0.973,510 1.273,511 1.051,512 1.251,513 1.167,514 3.5,515 0.025,516 2,517 1.576,518 1.093,519 0.497,520 0.47,521 0.206,522 0.109,523 0.061,524 5061,525 13651,526 2.205,527 37.1,529 11,531 1,532 1,536 1.647,537 2.129,538 3.166,539 -0.31,541 1,545 55.177,546 1.576,547 3.378,548 4.115,549 4.686,550 4.765,551 4.765,552 2.652,553 3.754,554 4.428,555 3.26,556 753.087,557 7.617,558 8005.55,560 1,561 1,562 1,563 179.525,564 1.143,565 4.418,566 0.14,567 0.004,568 0.057,569 0.045,570 0.036,571 0.018,572 0.019,573 0.01,574 0.007,575 0.007,576 0.344,577 0.67,578 1,579 0.608,580 99.832,581 -0.064,582 -0.167,583 0.063,584 -0.083,585 -0.101,586 -0.002,587 -0.072,588 0.056,589 0.035,590 0.025,591 -0.049,592 0.04,593 0.092,594 -0.082,595 -0.004,596 -0.057,597 0.069,598 -0.056,599 0.064,600 -0.146,601 -0.05,602 -0.119,603 0.016,604 -0.11,605 -0.095,606 -0.041,607 0.096,608 0.04,609 0.025,610 0.098,611 -0.186,612 0.013,613 -0.158,614 0.024,615 -0.183,616 -0.045,617 0.066,618 0.055,619 -0.117,620 -0.049,621 0.071,622 -0.103,623 -0.224,624 0.008,625 -0.332,626 -0.083,627 -0.317,628 -0.197,629 1.033,630 2.431,631 0.864,632 17.099,633 1.011,634 1.114,635 2.634,636 6.938,637 0.707,638 3.258,639 3.584,640 3.912,641 4.234,642 4.511,643 4.625,644 4.82,645 4.984,646 4.97,647 5.017,648 5.227,649 0.689,650 291.33,651 3.258,652 4.796,653 5.666,654 6.558,655 7.451,656 8.354,657 9.257,658 10.168,659 11.077,660 11.991,661 8.6,669 1,671 2,674 4,675 9,676 2,678 1,680 3,682 21,692 1,697 1,699 35,700 21,701 2,702 25,704 38,705 17,706 16,707 4,708 8,710 4,711 7,721 16,722 1,733 1,735 1,736 13,737 5,738 1,739 5,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 1,785 22,790 1,791 1,801 5.7,806 2,808 10.333,809 6.733,810 4.861,811 1.956,812 4.245,813 1.572,814 1.046,815 3.166,816 11.671,817 3.597,818 4.287,819 4.992,820 5.701,821 6.348,822 6.779,823 7.324,824 7.844,825 8.114,826 8.489,827 1,828 35,829 8.057,831 3.425,832 7.644,833 15.349,835 12.497,837 2.144,838 47.167,842 141.253,843 120.029,844 51.582,846 20.507,849 120.029,850 161.76,851 51.582,852 10.883,854 75.81,855 45.342,856 59.854,857 12,858 129.482,860 141.253,861 171.611,862 20.507,865 141.253,866 20.507,869 28.773,870 109.267,871 33.571,873 141.253,874 72.089,875 120.029,878 141.253,879 24.718,880 95.312,881 18.011,882 54.078,883 141.253,884 72.089,885 120.029,887 0.574,888 0.345,889 0.197,890 0.112,891 19,892 7,893 0.079,894 3,895 2,896 1.211,897 3.497,898 182.001,899 0.211,900 19,901 94.107,904 13.105,905 5.316,906 2.311,907 3.084,908 72.089,909 17.057,910 8.634,912 5.931,914 2.337,916 18.011,917 333.372,918 35.5,926 35.378,927 38.99,928 0.307,929 0.659,930 0.802,931 0.914,932 0.929,933 0.929,934 4.806,935 1.271,936 5.638,937 3.11,938 4.263,939 4.973,940 1.029,941 6.469,942 4.195,943 6.035,944 1,945 7.198,946 2.997,947 3.761,948 4.808,950 7.391,951 3.675,952 7.358,953 0.638,954 8.861,955 2.136,956 5.861,957 7.324,958 0.763,959 10.541,960 5.743,961 8.724,962 0.403,963 10.588,964 1.508,965 6.236,966 8.065,968 12.351,969 6.106,970 10.127,971 -0.031,972 12.357,973 0.671,974 7.768,975 10.01,976 0.597,977 15.015,978 7.615,979 11.557,980 -0.538,981 14.156,982 -0.078,983 8.566,984 11.197,986 17.196,987 8.404,988 13.01,989 -0.683,990 15.978,991 -1.22,992 9.867,993 12.91,994 0.47,995 19.704,996 9.688,997 3.269,998 -0.783,999 17.818,1000 -1.776,1001 10.869,1002 14.313,1004 22.038,1005 10.681,1006 2.705,1007 11.485,1008 19.672,1009 -2.02,1010 12.081,1011 15.935,1012 0.367,1013 24.497,1014 11.88,1015 2.461,1016 8.662,1017 21.537,1018 4.851,1019 13.178,1020 17.436,1022 26.893,1023 12.966,1024 2.195,1025 7.163,1026 23.412,1027 3.752,1028 14.361,1029 19.025,1030 0.283,1031 29.337,1032 14.136,1033 1.815,1034 6.565,1035 25.296,1036 3.429,1037 15.501,1038 20.569,1040 31.758,1041 15.264,1042 1.521,1043 5.474,1044 27.185,1045 3.022,1046 16.676,1047 22.149,1048 0.217,1049 34.198,1050 16.427,1051 1.38,1052 4.163,1053 29.081,1054 2.653,1055 17.836,1056 23.712,1058 36.629,1059 17.575,1060 4765,1061 7957,1062 17.394,1063 24.733,1064 37.375,1065 37.726,1066 38.039,1067 37.28,1068 37.312,1069 53.157,1070 2.52,1071 107.865,1072 35.953,1073 5.509,1074 5.297,1075 6.666,1076 5.329,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.217,1082 6.056,1083 1.495,1084 1.509,1085 1.522,1086 1.491,1087 1.492,1088 2.126,1089 0.101,1090 4.315,1091 1.438,1092 4.183,1093 4.192,1094 4.167,1095 4.065,1096 5.259,1097 4.087,1098 3.888,1099 3.922,1100 3.821,1101 3.818,1102 4.822,1103 3.814,1104 3.656,1105 3.693,1106 3.607,1107 3.508,1108 4.748,1109 3.529,1110 3.264,1111 3.323,1112 3.146,1113 2.998,1114 4.562,1115 3.022,1116 3.065,1117 3.129,1118 2.988,1119 2.842,1120 4.208,1121 2.867,1122 3.024,1123 3.08,1124 2.875,1125 2.823,1126 4.006,1127 2.824,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.711,1133 2.715,1134 2.825,1135 2.889,1136 2.676,1137 2.685,1138 3.674,1139 2.673,1140 0.19,1141 0.132,1142 0.275,1143 0.17,1144 0.131,1145 4.752,1146 0.194,1147 3.297,1148 0.034,1149 6.864,1150 0.459,1151 4.252,1152 0.129,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.942,1159 1.923,1160 2.022,1161 2.047,1162 1.147,1163 2.036,1164 1.889,1165 1.861,1166 1.995,1167 1.998,1168 1.065,1169 1.994,1170 1.708,1171 1.686,1172 1.764,1173 1.888,1174 0.79,1175 1.861,1176 1.206,1177 1.147,1178 1.565,1179 1.523,1180 0.571,1181 1.532,1182 0.989,1183 0.928,1184 1.196,1185 1.237,1186 0.25,1187 1.23,1188 0.965,1189 0.918,1190 1.181,1191 1.218,1192 0.218,1193 1.193,1194 0.886,1195 0.821,1196 1.168,1197 1.062,1198 0.185,1199 1.107,1200 0.804,1201 0.751,1202 0.977,1203 0.965,1204 0.084,1205 0.973,1206 3.932,1208 5.252,1209 2.398,1210 6.786,1211 4.844,1212 8.414,1213 7.066,1214 10.093,1216 1.631,1223 3.26,1224 5.233,1231 24.128,1232 55.177,1233 118.241,1234 144.015,1235 164.015,1236 166.77,1237 166.77,1238 22.761,1239 7.426,1240 60.18,1241 60.18,1242 23,1243 12.505,1244 4.459,1245 3.524,1246 29.844,1247 68,1248 72,1249 0.22,1250 146.295,1251 236.44,1252 348.721,1253 16161,1255 14.941,1256 0.679,1257 0.541,1258 14.941,1259 11.907,1260 10.848,1261 0.434,1262 0.275,1263 6.764,1264 10.384,1265 6.615,1266 5.502,1267 10.848,1268 6.883,1269 9.505,1270 0.272,1271 0.139,1272 9.505,1273 4.855,1274 8.481,1275 0.173,1276 0.071,1277 8.481,1278 3.496,1279 7.376,1280 0.108,1281 0.036,1282 7.376,1283 2.429,1284 6.277,1285 0.07,1286 0.018,1287 6.277,1288 1.652,1289 0.335,1290 68.334,1291 0.24,1292 21.429,1293 0.63,1294 120,1295 365.094,1296 132.692,1297 350.613,1298 494.63,1299 332,1300 144,1301 380.001,1302 157.802,1303 383.963,1304 564.98,1305 361,1306 5} {0 CHEMBL2314165,1 1.374,2 9.739,3 5.353,4 28.658,5 91.217,6 7.584,7 0.808,8 3.802,9 3.898,10 3.405,11 3.414,12 4.913,13 3.394,14 4.293,15 4.428,16 3.764,17 3.787,18 5.351,19 3.759,20 4.471,21 4.625,22 3.806,23 3.883,24 5.517,25 3.831,26 4.547,27 4.744,28 3.668,29 3.842,30 5.511,31 3.753,32 4.437,33 4.658,34 3.543,35 3.733,36 5.348,37 3.637,38 4.326,39 4.518,40 3.472,41 3.65,42 5.299,43 3.572,44 4.263,45 4.474,46 3.324,47 3.569,48 5.175,49 3.459,50 4.078,51 4.269,52 3.131,53 3.437,54 5.012,55 3.318,56 0.02,57 0.499,58 7.663,59 3.695,60 6.846,61 4.535,62 0.089,63 0.81,64 13.995,65 6.202,66 13.889,67 7.613,68 0.17,69 0.993,70 17.234,71 7.25,72 20.065,73 9.067,74 0.282,75 1.065,76 20.262,77 8.141,78 26.357,79 10.466,80 0.118,81 0.951,82 18.412,83 7.707,84 19.241,85 10.264,86 0.174,87 0.859,88 16.071,89 6.347,90 20.655,91 7.991,92 0.167,93 0.783,94 15.388,95 6.509,96 17.035,97 8.563,98 0.082,99 0.648,100 12.154,101 5.431,102 13.721,103 7.065,104 6,105 37,106 0.239,107 0.544,108 0.694,109 0.83,110 0.851,111 0.851,112 3.189,113 0.874,114 -4.93,115 -4.83,116 -4.53,119 50,120 1,123 1,133 10,134 3,135 3,143 2,159 11,162 5,166 3,168 13,172 4,174 1,176 4,178 10,181 1,182 3,187 3,190 6,194 3,199 3,202 10,206 3,211 1,213 10,217 3,220 1,224 11,229 1,237 10,242 2,250 6,255 693,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 16.226,263 9.271,264 16.137,265 12.797,266 12.797,267 12.797,268 12.797,269 12.797,270 9.099,271 23.622,272 4.361,273 13.087,274 3.948,275 2.199,276 1.337,277 0.557,278 0.438,279 0.438,280 3.892,284 1,285 494,286 2.449,288 32.495,289 155.341,291 132.804,295 1.49,296 11.759,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 0.87,306 48.5,307 224,308 4.753,309 3.297,310 6.864,311 4.264,312 3.269,313 4.851,314 0.86,315 11.485,316 3.255,317 4.112,318 2.891,319 6.035,320 3.696,321 2.723,322 3.762,323 0.4,324 8.665,325 2.651,326 3.964,327 2.732,328 5.473,329 3.52,330 2.537,331 3.586,333 7.246,334 2.497,335 3.636,336 2.503,337 5.311,338 3.231,339 2.272,340 3.052,342 6.696,343 2.172,344 3.373,345 2.18,346 5.001,347 2.985,348 2.007,349 2.682,351 5.727,352 1.958,353 3.278,354 1.843,355 4.87,356 2.795,357 1.802,358 2.634,360 5.415,361 1.785,362 2.897,363 1.492,364 4.436,365 2.419,366 1.429,367 2.083,369 4.086,370 1.412,371 2.771,372 1.316,373 3.841,374 2.292,375 1.298,376 1.895,378 3.094,379 1.29,380 2.5,381 1.042,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.047,389 1,390 3.274,391 1.614,392 0.654,393 0.874,394 1.562,395 0.622,396 1.617,397 0.65,398 2.902,399 1.311,400 0.418,401 0.489,402 0.7,403 0.37,404 1.431,405 0.31,406 2.822,407 1.096,408 0.125,409 0.159,411 0.289,412 0.121,413 1.029,414 -0.135,415 2.403,416 0.646,417 -0.335,418 -0.434,420 -0.767,421 -0.328,422 0.804,423 -0.372,424 2.254,425 0.322,426 -0.652,427 -0.86,429 -1.595,430 -0.622,431 0.677,432 -0.7,433 2.233,434 0.253,435 -0.729,436 -1.063,438 -2.02,439 -0.721,440 11.067,441 0.481,442 0.516,443 0.022,444 33.5,445 1.457,446 19,447 0.826,448 14.5,449 0.63,450 15.015,451 0.653,452 23.133,453 0.578,454 22.413,455 0.974,456 6.813,457 0.296,458 4.428,459 0.193,460 0.09,462 0.361,466 0.889,467 1.036,468 0.754,469 0.95,470 0.935,471 0.85,472 1.181,473 1.012,474 0.799,475 0.897,476 0.944,477 0.818,478 1.15,479 1.119,480 1.012,481 1.051,482 1.027,483 1.016,484 1.099,485 1.059,486 1.068,487 1.013,488 1.123,489 1.03,490 0.832,491 1.001,492 0.866,493 0.966,494 0.766,495 0.928,496 1.385,497 0.942,498 1.117,499 0.93,500 1.285,501 0.971,502 0.881,503 0.919,504 1,505 0.996,506 0.871,507 1.014,508 0.885,509 1.125,510 1.157,511 1.176,512 1.034,513 1.203,514 4.5,515 0.046,516 2.444,517 1.639,518 1.284,519 0.553,520 0.55,521 0.293,522 0.165,523 0.141,524 5726,525 13496,526 2.168,527 42.5,528 3,529 13,532 1,536 1.658,537 2.06,538 3.254,539 -0.412,545 54.952,546 1.374,547 3.123,548 3.985,549 4.765,550 4.884,551 4.884,552 2.714,553 4.002,554 4.491,555 3.351,556 847.794,557 7.739,558 9356.57,563 212.877,564 1.302,565 4.469,566 0.173,567 0.006,568 0.066,569 0.044,570 0.041,571 0.02,572 0.021,573 0.013,574 0.009,575 0.012,576 0.406,577 0.67,578 1,579 0.7,580 106.561,581 -0.016,582 -0.024,583 0.064,584 -0.013,585 -0.112,586 0.03,587 -0.057,588 -0.021,589 0.1,590 0.054,591 0.035,592 0.087,593 -0.012,594 -0.095,595 -0.091,596 -0.116,597 -0.019,598 -0.115,599 0.045,600 -0.059,601 -0.089,602 -0.057,603 -0.064,604 -0.084,605 0.019,606 -0.031,607 0.113,608 0.017,609 0.138,610 0.066,611 -0.194,612 0.081,613 -0.142,614 0.016,615 -0.204,616 -0.04,617 0.051,618 0.035,619 -0.025,620 -0.01,621 0.073,622 -0.026,623 -0.091,624 -0.185,625 -0.228,626 -0.192,627 -0.157,628 -0.224,629 0.871,630 2.579,631 0.826,632 18.495,633 0.996,634 1.106,635 3.695,636 13.653,637 0.7,638 3.296,639 3.638,640 3.951,641 4.263,642 4.554,643 4.663,644 4.852,645 5.024,646 5.024,647 5.094,648 5.518,649 0.667,650 303.38,651 3.296,652 4.844,653 5.714,654 6.608,655 7.499,656 8.403,657 9.304,658 10.213,659 11.121,660 12.033,661 2.5,669 1,674 4,675 10,678 1,680 4,682 21,692 1,697 1,699 40,700 21,701 3,702 26,704 43,705 20,706 18,707 8,708 10,710 4,711 7,715 1,721 18,722 2,735 1,736 17,737 3,738 1,739 3,743 1,747 0.5,748 2,759 1,760 3,762 2,777 2,781 2,785 23,790 1,791 1,801 5,806 2,808 11.167,809 7.917,810 5.028,811 2.306,812 4.272,813 1.567,814 1.042,815 3.467,816 11.804,817 3.624,818 4.327,819 5.022,820 5.723,821 6.377,822 6.804,823 7.337,824 7.862,825 8.141,826 8.53,827 0.857,828 37,829 8.453,831 3.579,832 7.536,833 16.384,835 13.525,837 2.036,838 46.833,842 188.338,843 143.232,844 18.011,846 20.507,849 143.232,850 208.845,851 18.011,852 19.708,854 94.762,856 57.606,857 9.672,858 188.338,860 188.338,861 161.242,862 20.507,865 188.338,866 20.507,869 26.836,870 134.406,873 188.338,874 38.518,875 143.232,878 188.338,879 28.761,880 114.471,881 18.011,882 20.507,883 188.338,884 38.518,885 143.232,887 0.582,888 0.346,889 0.19,890 0.112,891 20,892 8,893 0.07,894 3,895 2,896 1.211,897 3.562,898 192.908,899 0.211,900 19,901 100.042,904 14.158,905 5.633,906 2.553,907 3.877,908 38.518,909 20.378,912 6.079,914 4.039,916 18.011,917 370.087,918 36.5,926 39.825,927 44.239,928 0.258,929 0.587,930 0.749,931 0.895,932 0.918,933 0.918,934 4.846,935 1.298,936 5.7,937 4.086,938 4.317,939 5.014,940 1.029,941 6.532,942 4.281,943 6.086,944 1,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.842,952 7.417,953 0.654,954 8.93,955 2.275,956 5.927,957 7.37,958 0.763,959 10.583,960 5.864,961 8.787,962 0.418,963 10.653,964 1.562,965 6.33,966 8.132,968 12.376,969 6.257,970 10.191,971 0.125,972 12.415,973 0.7,974 7.828,975 10.05,976 0.597,977 15.034,978 7.751,979 11.619,980 -0.335,981 14.207,982 0.289,983 8.631,984 11.239,986 17.206,987 8.55,988 13.069,989 -0.652,990 16.021,991 -0.767,992 9.916,993 12.939,994 0.47,995 19.712,996 9.833,997 3.269,998 -0.729,999 17.853,1000 -1.595,1001 10.914,1002 14.339,1004 22.042,1005 10.831,1006 2.723,1007 11.485,1008 19.701,1009 -2.02,1010 12.118,1011 15.954,1012 0.367,1013 24.5,1014 12.033,1015 2.537,1016 8.665,1017 21.56,1018 4.851,1019 13.21,1020 17.452,1022 26.894,1023 13.125,1024 2.272,1025 7.246,1026 23.431,1027 3.762,1028 14.387,1029 19.038,1030 0.283,1031 29.338,1032 14.302,1033 2.007,1034 6.696,1035 25.31,1036 3.586,1037 15.523,1038 20.58,1040 31.758,1041 15.438,1042 1.802,1043 5.727,1044 27.197,1045 3.052,1046 16.695,1047 22.157,1048 0.217,1049 34.198,1050 16.608,1051 1.429,1052 5.415,1053 29.09,1054 2.682,1055 17.852,1056 23.718,1058 36.63,1059 17.765,1060 5424,1061 8451,1062 17.8,1063 28.006,1064 39.066,1065 39.559,1066 40.228,1067 39.002,1068 39.067,1069 55.131,1070 2.52,1071 114.479,1072 38.269,1073 5.513,1074 5.297,1075 6.412,1076 5.279,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.255,1082 8.876,1083 1.503,1084 1.522,1085 1.547,1086 1.5,1087 1.503,1088 2.12,1089 0.097,1090 4.403,1091 1.472,1092 4.202,1093 4.205,1094 4.178,1095 4.117,1096 5.194,1097 4.13,1098 3.915,1099 3.947,1100 3.85,1101 3.851,1102 4.777,1103 3.847,1104 3.701,1105 3.727,1106 3.638,1107 3.623,1108 4.707,1109 3.622,1110 3.297,1111 3.35,1112 3.18,1113 3.094,1114 4.402,1115 3.101,1116 3.223,1117 3.295,1118 3.088,1119 3.038,1120 4.166,1121 3.044,1122 3.076,1123 3.114,1124 2.934,1125 2.877,1126 4.011,1127 2.884,1128 2.93,1129 3.005,1130 2.753,1131 2.782,1132 3.674,1133 2.764,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.67,1139 2.715,1140 0.183,1141 0.127,1142 0.264,1143 0.164,1144 0.126,1145 4.753,1146 0.187,1147 3.297,1148 0.033,1149 6.864,1150 0.442,1151 4.264,1152 0.125,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.255,1158 1.996,1159 1.979,1160 2.074,1161 2.066,1162 1.231,1163 2.07,1164 1.912,1165 1.887,1166 2.023,1167 2.006,1168 1.13,1169 2.008,1170 1.801,1171 1.788,1172 1.898,1173 1.921,1174 0.981,1175 1.916,1176 1.248,1177 1.186,1178 1.57,1179 1.527,1180 0.613,1181 1.537,1182 1.194,1183 1.124,1184 1.536,1185 1.443,1186 0.574,1187 1.477,1188 1.035,1189 1.013,1190 1.217,1191 1.26,1192 0.292,1193 1.244,1194 0.947,1195 0.883,1196 1.181,1197 1.133,1198 0.244,1199 1.154,1200 0.886,1201 0.821,1202 1.172,1203 1.062,1204 0.218,1205 1.107,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.47,1213 7.066,1214 10.148,1216 3.741,1223 3.439,1224 5.28,1231 26.665,1232 54.952,1233 124.929,1234 159.393,1235 190.612,1236 195.367,1237 195.367,1238 24.604,1239 7.532,1240 34.4,1241 34.4,1242 23,1243 12.548,1244 4.459,1245 3.524,1246 31.844,1247 75,1248 83,1249 0.212,1250 161.484,1251 266.34,1252 385.781,1253 18496,1255 15.811,1256 0.687,1257 0.569,1258 15.811,1259 13.09,1260 11.242,1261 0.432,1262 0.291,1263 7.488,1264 10.908,1265 7.235,1266 6.049,1267 11.242,1268 7.574,1269 10.127,1270 0.274,1271 0.152,1272 10.127,1273 5.637,1274 8.891,1275 0.174,1276 0.079,1277 8.891,1278 4.037,1279 7.518,1280 0.107,1281 0.04,1282 7.518,1283 2.796,1284 6.568,1285 0.07,1286 0.021,1287 6.568,1288 2.01,1289 0.326,1290 69.789,1291 0.237,1292 22.349,1293 0.599,1294 126,1295 333.804,1296 135.14,1297 324.975,1298 462.38,1299 308,1300 151,1301 357.072,1302 160.861,1303 364.64,1304 535.38,1305 343,1306 5} {0 CHEMBL2314166,1 1.553,2 9.174,3 4.542,4 20.632,5 87.855,6 8.036,7 0.808,8 3.774,9 3.872,10 3.421,11 3.337,12 4.938,13 3.343,14 4.259,15 4.401,16 3.782,17 3.698,18 5.385,19 3.698,20 4.398,21 4.543,22 3.823,23 3.779,24 5.526,25 3.758,26 4.463,27 4.659,28 3.706,29 3.728,30 5.501,31 3.676,32 4.374,33 4.59,34 3.564,35 3.615,36 5.383,37 3.564,38 4.277,39 4.477,40 3.52,41 3.535,42 5.324,43 3.496,44 4.151,45 4.345,46 3.384,47 3.45,48 5.209,49 3.393,50 4.029,51 4.209,52 3.14,53 3.345,54 5.051,55 3.263,56 0.032,57 0.545,58 6.618,59 3.257,60 5.507,61 3.809,62 0.184,63 0.867,64 12.795,65 5.389,66 15.594,67 6.356,68 0.286,69 0.985,70 14.712,71 6.039,72 20.26,73 7.327,74 0.305,75 1.036,76 17.688,77 6.803,78 23.559,79 8.751,80 0.218,81 0.954,82 16.739,83 5.975,84 22.01,85 7.751,86 0.275,87 0.851,88 15.171,89 5.401,90 22.948,91 6.766,92 0.245,93 0.759,94 12.676,95 4.761,96 18.83,97 6.092,98 0.191,99 0.654,100 11.123,101 4.406,102 17.176,103 5.276,104 6,105 37,106 0.273,107 0.631,108 0.788,109 0.879,110 0.879,111 0.879,112 3.189,113 0.842,114 -4.1,115 -4.05,116 -3.83,119 47.4,120 1,123 1,133 7,134 2,135 2,137 1,138 1,139 1,143 2,159 7,161 1,162 5,164 1,166 2,168 9,171 2,172 3,174 1,176 2,178 4,181 1,182 7,185 1,187 3,190 1,194 6,199 2,205 1,206 7,211 1,213 2,216 1,217 4,220 1,224 6,229 2,237 8,242 2,250 6,255 684,256 15.903,257 15.903,258 15.903,259 15.903,260 15.903,261 13.472,262 16.226,263 9.304,264 16.264,265 12.813,266 12.813,267 12.813,268 12.813,269 12.813,270 9.105,271 25.539,272 4.376,273 13.3,274 3.695,275 1.662,276 0.767,277 0.25,278 0.25,279 0.25,280 3.892,284 1,285 464,286 2.449,288 32.073,289 154.107,291 131.068,295 1.501,296 15.688,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 49.5,307 211,308 4.753,309 3.297,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.124,318 2.902,319 6.036,320 3.707,321 2.738,322 3.77,323 0.4,324 8.678,325 2.655,326 3.98,327 2.754,328 5.526,329 3.528,330 2.552,331 3.61,333 7.437,334 2.486,335 3.628,336 2.486,337 5.342,338 3.205,339 2.259,340 3.045,342 6.771,343 2.129,344 3.305,345 2.104,346 4.997,347 2.895,348 1.921,349 2.657,351 5.57,352 1.868,353 3.245,354 1.836,355 4.757,356 2.766,357 1.793,358 2.517,360 5.222,361 1.741,362 2.896,363 1.492,364 4.414,365 2.378,366 1.429,367 2.082,369 4.051,370 1.354,371 2.775,372 1.322,373 3.841,374 2.254,375 1.302,376 1.901,378 3.094,379 1.235,380 2.654,381 1.214,382 3.483,383 2.17,384 1.177,385 1.727,386 2.594,387 1.167,388 2.038,389 1.034,390 3.266,391 1.584,392 0.639,393 0.857,394 1.519,395 0.598,396 1.609,397 0.597,398 2.885,399 1.29,400 0.404,401 0.477,402 0.672,403 0.356,404 1.303,405 0.092,406 2.819,407 0.909,408 -0.031,409 -0.041,411 -0.081,412 -0.029,413 0.947,414 -0.132,415 2.403,416 0.589,417 -0.405,418 -0.512,420 -0.902,421 -0.401,422 0.813,423 -0.319,424 2.253,425 0.389,426 -0.563,427 -0.742,429 -1.366,430 -0.532,431 0.795,432 -0.578,433 2.232,434 0.289,435 -0.687,436 -0.974,438 -1.921,439 -0.667,440 10.867,441 0.472,442 0.516,443 0.022,444 34.5,445 1.5,446 19,447 0.826,448 15.5,449 0.674,450 14.535,451 0.632,452 23.333,453 0.614,454 23.036,455 1.002,456 6.97,457 0.303,458 4.271,459 0.186,460 0.092,462 0.368,466 0.898,467 1.223,468 0.699,469 1.025,470 0.879,471 0.861,472 1.138,473 0.928,474 0.753,475 0.845,476 0.932,477 0.757,478 1.015,479 1.165,480 0.963,481 1.069,482 0.962,483 1.023,484 0.899,485 1.157,486 0.945,487 1.061,488 0.873,489 1.021,490 1.096,491 1.025,492 0.975,493 0.932,494 1.056,495 0.917,496 1.267,497 0.986,498 0.978,499 0.851,500 1.159,501 0.861,502 0.947,503 0.918,504 1.067,505 0.985,506 0.984,507 1.023,508 1.383,509 1.037,510 1.35,511 1.078,512 1.452,513 1.192,514 4.5,515 0.061,516 2.222,517 1.889,518 1.204,519 0.553,520 0.551,521 0.228,522 0.21,523 0.076,524 5650,525 14640,526 2.168,527 39.5,528 3,529 10,531 1,532 1,536 1.659,537 2.06,538 3.195,539 -0.326,545 59.004,546 1.553,547 3.586,548 4.481,549 4.998,550 4.998,551 4.998,552 2.674,553 4.176,554 4.493,555 3.312,556 837.844,557 7.746,558 9241.33,560 1,563 199.421,564 1.302,565 4.469,566 0.173,567 0.008,568 0.06,569 0.051,570 0.038,571 0.02,572 0.02,573 0.01,574 0.012,575 0.007,576 0.398,577 0.5,578 1,579 0.7,580 106.281,581 -0.049,582 -0.161,583 0.065,584 -0.078,585 -0.101,586 -0.001,587 -0.034,588 0.107,589 0.127,590 0.104,591 0.049,592 0.132,593 0.093,594 -0.129,595 -0.077,596 -0.133,597 0.016,598 -0.14,599 0.108,600 -0.169,601 0.023,602 -0.102,603 0.096,604 -0.066,605 -0.122,606 -0.01,607 0.015,608 0.015,609 -0.049,610 0.042,611 -0.103,612 0.018,613 0.016,614 0.098,615 -0.049,616 0.079,617 0.044,618 0.109,619 -0.119,620 -0.042,621 0.043,622 -0.089,623 -0.314,624 -0.059,625 -0.415,626 -0.111,627 -0.415,628 -0.254,629 1.03,630 2.461,631 0.826,632 18.053,633 1.007,634 1.116,635 2.872,636 8.246,637 0.697,638 3.296,639 3.638,640 3.951,641 4.277,642 4.543,643 4.673,644 4.852,645 5.024,646 5.03,647 5.1,648 5.42,649 0.675,650 305.36,651 3.296,652 4.844,653 5.714,654 6.611,655 7.501,656 8.407,657 9.307,658 10.219,659 11.124,660 12.04,661 7.9,669 1,671 2,674 4,675 8,676 2,678 1,680 4,682 21,692 1,697 1,699 38,700 21,701 2,702 26,704 41,705 18,706 16,707 5,708 7,710 4,711 7,715 1,721 16,722 2,733 1,735 1,736 15,737 5,738 1,739 5,743 3,747 0.5,748 2,755 1,759 1,760 3,762 2,777 2,781 2,785 23,790 1,791 1,801 5.3,806 2,808 11.167,809 7.65,810 5.028,811 2.15,812 4.282,813 1.569,814 1.035,815 3.393,816 11.814,817 3.624,818 4.327,819 5.022,820 5.731,821 6.369,822 6.809,823 7.337,824 7.862,825 8.144,826 8.534,827 1,828 37,829 8.432,831 3.574,832 7.623,833 16.124,835 13.14,837 2.123,838 48.833,842 164.795,843 122.564,844 51.582,846 20.507,849 122.564,850 185.303,851 51.582,852 19.708,854 66.334,855 45.342,856 63.039,857 12,858 153.024,860 164.795,861 174.146,862 20.507,865 164.795,866 20.507,869 37.599,870 102.976,871 33.571,873 164.795,874 72.089,875 122.564,878 164.795,879 27.903,880 94.661,881 18.011,882 54.078,883 164.795,884 72.089,885 122.564,887 0.58,888 0.345,889 0.195,890 0.11,891 20,892 8,893 0.073,894 3,895 2,896 1.211,897 3.548,898 193.597,899 0.211,900 19,901 102.042,904 14.036,905 5.559,906 2.512,907 3.09,908 72.089,909 15.337,910 8.681,912 5.961,914 3.533,916 18.011,917 359.448,918 36.5,926 38.262,927 42.405,928 0.296,929 0.683,930 0.854,931 0.952,932 0.952,933 0.952,934 4.846,935 1.302,936 5.7,937 4.051,938 4.317,939 5.014,940 1.029,941 6.535,942 4.254,943 6.086,944 1.177,945 7.266,946 3.094,947 3.892,948 4.913,950 7.455,951 3.817,952 7.417,953 0.639,954 8.93,955 2.594,956 5.927,957 7.37,958 0.763,959 10.592,960 5.817,961 8.787,962 0.404,963 10.654,964 1.519,965 6.33,966 8.132,968 12.382,969 6.211,970 10.191,971 -0.031,972 12.418,973 0.672,974 7.831,975 10.051,976 0.597,977 15.043,978 7.688,979 11.62,980 -0.405,981 14.21,982 -0.081,983 8.636,984 11.242,986 17.212,987 8.485,988 13.07,989 -0.563,990 16.025,991 -0.902,992 9.922,993 12.942,994 0.47,995 19.719,996 9.752,997 3.269,998 -0.687,999 17.858,1000 -1.366,1001 10.922,1002 14.343,1004 22.047,1005 10.743,1006 2.738,1007 11.485,1008 19.706,1009 -1.921,1010 12.126,1011 15.958,1012 0.367,1013 24.504,1014 11.932,1015 2.552,1016 8.678,1017 21.566,1018 4.851,1019 13.218,1020 17.455,1022 26.897,1023 13.013,1024 2.259,1025 7.437,1026 23.437,1027 3.77,1028 14.395,1029 19.041,1030 0.283,1031 29.34,1032 14.176,1033 1.921,1034 6.771,1035 25.316,1036 3.61,1037 15.531,1038 20.582,1040 31.76,1041 15.3,1042 1.793,1043 5.57,1044 27.202,1045 3.045,1046 16.702,1047 22.159,1048 0.217,1049 34.2,1050 16.457,1051 1.429,1052 5.222,1053 29.095,1054 2.657,1055 17.859,1056 23.72,1058 36.631,1059 17.601,1060 5354,1061 8765,1062 17.8,1063 26.495,1064 39.129,1065 39.368,1066 40.209,1067 38.904,1068 38.969,1069 54.99,1070 2.52,1071 114.186,1072 37.609,1073 5.514,1074 5.297,1075 6.422,1076 5.329,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.217,1082 8.756,1083 1.505,1084 1.514,1085 1.547,1086 1.496,1087 1.499,1088 2.115,1089 0.097,1090 4.392,1091 1.447,1092 4.183,1093 4.193,1094 4.167,1095 4.066,1096 5.259,1097 4.088,1098 3.915,1099 3.947,1100 3.85,1101 3.85,1102 4.819,1103 3.846,1104 3.66,1105 3.698,1106 3.612,1107 3.511,1108 4.739,1109 3.533,1110 3.273,1111 3.333,1112 3.155,1113 3.053,1114 4.562,1115 3.054,1116 3.185,1117 3.269,1118 3.035,1119 2.976,1120 4.211,1121 2.982,1122 3.055,1123 3.1,1124 2.936,1125 2.836,1126 4.025,1127 2.858,1128 2.994,1129 3.069,1130 2.836,1131 2.81,1132 3.863,1133 2.806,1134 2.825,1135 2.89,1136 2.676,1137 2.686,1138 3.707,1139 2.674,1140 0.183,1141 0.127,1142 0.264,1143 0.164,1144 0.126,1145 4.753,1146 0.187,1147 3.297,1148 0.033,1149 6.864,1150 0.442,1151 4.253,1152 0.124,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.946,1159 1.925,1160 2.042,1161 2.052,1162 1.153,1163 2.044,1164 1.91,1165 1.885,1166 2,1167 2.005,1168 1.127,1169 2.004,1170 1.714,1171 1.692,1172 1.77,1173 1.902,1174 0.801,1175 1.871,1176 1.225,1177 1.158,1178 1.567,1179 1.524,1180 0.602,1181 1.534,1182 1.194,1183 1.124,1184 1.538,1185 1.43,1186 0.568,1187 1.47,1188 0.972,1189 0.927,1190 1.193,1191 1.226,1192 0.244,1193 1.213,1194 0.962,1195 0.899,1196 1.168,1197 1.198,1198 0.186,1199 1.189,1200 0.807,1201 0.753,1202 0.984,1203 0.968,1204 0.093,1205 0.978,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.844,1212 8.472,1213 7.066,1214 10.151,1216 3.683,1223 3.301,1224 5.246,1231 25.655,1232 59.004,1233 136.26,1234 170.26,1235 189.911,1236 189.911,1237 189.911,1238 25.05,1239 7.532,1240 60.18,1241 60.18,1242 23,1243 12.553,1244 4.459,1245 3.524,1246 31.802,1247 74,1248 78,1249 0.215,1250 155.888,1251 253.74,1252 372.126,1253 18496,1255 15.811,1256 0.687,1257 0.558,1258 15.811,1259 12.83,1260 11.242,1261 0.432,1262 0.281,1263 7.175,1264 10.778,1265 6.952,1266 5.81,1267 11.242,1268 7.294,1269 10.139,1270 0.274,1271 0.145,1272 10.139,1273 5.359,1274 8.801,1275 0.173,1276 0.073,1277 8.801,1278 3.741,1279 7.727,1280 0.109,1281 0.037,1282 7.727,1283 2.631,1284 6.416,1285 0.069,1286 0.019,1287 6.416,1288 1.743,1289 0.329,1290 70.697,1291 0.237,1292 22.274,1293 0.612,1294 126,1295 373.094,1296 138.692,1297 359.535,1298 507.2,1299 340,1300 151,1301 390.001,1302 164.802,1303 395.817,1304 581.39,1305 371,1306 5} {0 CHEMBL2314167,1 1.614,2 10.458,3 4.04,4 16.318,5 89.277,6 8.24,7 0.778,8 3.811,9 3.901,10 3.474,11 3.334,12 5.004,13 3.358,14 4.295,15 4.427,16 3.821,17 3.68,18 5.45,19 3.703,20 4.403,21 4.536,22 3.876,23 3.764,24 5.568,25 3.769,26 4.457,27 4.624,28 3.743,29 3.746,30 5.546,31 3.708,32 4.439,33 4.663,34 3.606,35 3.657,36 5.437,37 3.596,38 4.302,39 4.497,40 3.536,41 3.527,42 5.362,43 3.497,44 4.147,45 4.335,46 3.4,47 3.413,48 5.227,49 3.368,50 4.016,51 4.203,52 3.253,53 3.299,54 5.084,55 3.248,56 0.071,57 0.56,58 6.535,59 3.356,60 6.049,61 3.713,62 0.306,63 0.872,64 13.267,65 5.409,66 20.881,67 5.904,68 0.38,69 0.975,70 14.387,71 5.884,72 22.51,73 6.693,74 0.388,75 1.025,76 16.222,77 6.519,78 24.671,79 7.838,80 0.317,81 0.986,82 18.236,83 6.739,84 25.573,85 8.995,86 0.363,87 0.861,88 15.369,89 5.347,90 25.739,91 6.543,92 0.336,93 0.741,94 12.506,95 4.641,96 20.723,97 5.826,98 0.276,99 0.643,100 10.989,101 4.247,102 17.887,103 5.3,104 9,105 38,106 0.283,107 0.615,108 0.71,109 0.789,110 0.81,111 0.819,112 3.229,113 0.823,114 -3.6,115 -3.57,116 -3.4,119 46.2,123 2,133 7,134 1,135 3,137 1,138 1,139 1,143 2,159 4,161 1,162 7,164 1,166 2,168 5,171 2,172 5,174 1,176 2,178 3,181 1,182 7,185 1,187 1,194 6,197 1,199 2,205 1,206 5,211 1,213 2,216 2,217 2,220 1,224 6,228 1,237 6,241 1,242 3,250 2,255 788,256 16.773,257 16.773,258 16.773,259 16.773,260 16.773,261 14.395,262 18.113,263 9.769,264 17.313,265 13.224,266 13.224,267 13.224,268 13.224,269 13.224,270 9.522,271 26.802,272 4.5,273 13.903,274 3.671,275 1.773,276 1.229,277 0.776,278 0.654,279 0.603,280 3.932,283 1,284 1,285 551,286 2.646,288 35.093,289 166.701,291 143.072,295 1.58,296 18.54,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 52.5,307 251,308 4.753,309 3.297,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.117,318 2.92,319 6.035,320 3.692,321 2.731,322 3.765,323 0.86,324 8.666,325 2.622,326 3.983,327 2.822,328 5.505,329 3.526,330 2.565,331 3.604,332 0.4,333 7.358,334 2.463,335 3.648,336 2.613,337 5.359,338 3.235,339 2.301,340 3.057,342 6.843,343 2.142,344 3.418,345 2.254,346 5.117,347 3.009,348 2.061,349 2.722,351 6.183,352 1.943,353 3.281,354 1.849,355 4.956,356 2.772,357 1.805,358 2.645,360 5.454,361 1.744,362 2.898,363 1.503,364 4.444,365 2.379,366 1.432,367 2.084,369 4.101,370 1.351,371 2.772,372 1.322,373 3.841,374 2.248,375 1.3,376 1.897,378 3.094,379 1.228,380 2.5,381 1.132,382 3.414,383 2,384 1,385 1.5,386 2.275,387 1,388 2.054,389 1.027,390 3.282,391 1.621,392 0.689,393 0.892,394 1.592,395 0.636,396 1.737,397 1,398 2.972,399 1.427,400 0.549,401 0.632,402 0.93,403 0.477,404 1.598,405 0.607,406 2.829,407 1.278,408 0.389,409 0.463,411 0.641,412 0.344,413 1.261,414 0.183,415 2.605,416 0.894,417 -0.028,418 -0.035,420 -0.059,421 -0.025,422 0.883,423 -0.228,424 2.402,425 0.452,426 -0.479,427 -0.624,429 -1.007,430 -0.442,431 0.803,432 -0.408,433 2.249,434 0.301,435 -0.671,436 -0.907,438 -1.665,439 -0.644,440 11.2,441 0.467,442 0.478,443 0.02,444 36,445 1.5,446 19.5,447 0.813,448 16.5,449 0.688,450 14.751,451 0.615,452 24.8,453 0.636,454 24.813,455 1.034,456 7.414,457 0.309,458 4.365,459 0.182,460 0.089,462 0.357,466 0.916,467 1.286,468 0.679,469 1.09,470 0.865,471 0.879,472 1.303,473 0.898,474 0.798,475 0.795,476 1.087,477 0.713,478 1.097,479 1.125,480 0.931,481 0.996,482 0.95,483 0.945,484 0.957,485 1.2,486 1.079,487 1.139,488 1.023,489 1.137,490 0.729,491 1.031,492 0.853,493 0.963,494 0.797,495 0.935,496 1.178,497 1.009,498 1.028,499 0.876,500 1.153,501 0.904,502 0.854,503 0.914,504 1.047,505 0.972,506 0.879,507 1.026,508 0.836,509 1.009,510 1.026,511 1.012,512 0.965,513 1.04,514 4.5,515 0.078,516 2.444,517 1.639,518 1.324,519 0.615,520 0.55,521 0.293,522 0.165,523 0.151,524 6495,525 18457,526 2.161,527 38.5,529 13,531 1,532 1,536 1.669,537 2.057,538 3.34,539 -0.301,541 1,545 62.959,546 1.614,547 3.512,548 4.057,549 4.509,550 4.631,551 4.683,552 2.872,553 3.554,554 4.551,555 3.447,556 951.501,557 7.855,558 10918.6,560 1,561 1,562 1,563 206.131,564 1.281,565 4.532,566 0.167,567 0.007,568 0.064,569 0.042,570 0.04,571 0.021,572 0.02,573 0.013,574 0.008,575 0.01,576 0.393,577 0.33,578 1,579 0.789,580 113.499,581 -0.07,582 -0.21,583 0.067,584 -0.125,585 -0.095,586 -0.02,587 -0.147,588 0.138,589 0.087,590 0.159,591 -0.059,592 0.167,593 -0.01,594 -0.075,595 -0.06,596 -0.053,597 0.022,598 -0.071,599 -0.013,600 -0.185,601 -0.167,602 -0.184,603 -0.106,604 -0.207,605 0.04,606 -0.059,607 0.145,608 0.017,609 0.099,610 0.088,611 -0.142,612 0.005,613 -0.043,614 0.068,615 -0.115,616 0.041,617 0.081,618 0.119,619 -0.1,620 -0.027,621 0.073,622 -0.086,623 0.055,624 -0.012,625 -0.082,626 -0.042,627 -0.012,628 -0.074,629 1.059,630 2.451,631 0.792,632 20.708,633 1.015,634 1.118,635 2.368,636 5.606,637 0.691,638 3.332,639 3.664,640 3.989,641 4.29,642 4.575,643 4.7,644 4.883,645 5.05,646 5.063,647 5.142,648 5.846,649 0.676,650 321.36,651 3.332,652 4.875,653 5.746,654 6.637,655 7.529,656 8.43,657 9.331,658 10.238,659 11.145,660 12.056,661 7.7,669 1,671 2,674 4,675 8,676 2,678 1,680 4,682 21,692 1,697 2,699 39,700 21,701 2,702 27,704 42,705 18,706 16,707 5,708 7,710 4,711 7,721 16,722 2,733 1,735 1,736 15,737 6,738 1,739 6,743 3,747 0.5,748 3,755 1,759 1,760 3,762 2,777 2,781 2,785 24,790 1,791 2,801 7.7,806 3,808 11.667,809 7.817,810 5.361,811 2.108,812 4.293,813 1.563,814 1.02,815 3.805,816 11.921,817 3.651,818 4.341,819 5.042,820 5.738,821 6.389,822 6.822,823 7.351,824 7.87,825 8.154,826 8.548,827 1,828 39,829 8.783,831 3.698,832 7.681,833 16.659,835 13.385,837 2.181,838 52.333,842 164.795,843 126.679,844 51.582,846 31.507,849 126.679,850 196.303,851 51.582,852 21.766,854 66.334,855 45.342,856 76.097,857 12,858 153.024,860 164.795,861 178.261,862 31.507,865 164.795,866 31.507,869 28.773,870 115.917,871 33.571,873 164.795,874 83.089,875 126.679,878 164.795,879 29.961,880 96.718,881 18.011,882 65.078,883 164.795,884 83.089,885 126.679,887 0.576,888 0.351,889 0.192,890 0.109,891 20,892 8,893 0.095,894 4,895 2,896 1.211,897 3.66,898 202.801,899 0.211,900 19,901 106.039,904 14.937,905 6.113,906 2.719,907 3.004,908 83.089,909 14.771,910 8.653,912 5.951,914 3.026,916 18.011,917 374.564,918 37.5,926 39.589,927 43.614,928 0.305,929 0.664,930 0.768,931 0.853,932 0.876,933 0.886,934 4.869,935 1.3,936 5.727,937 4.101,938 4.344,939 5.027,940 1.454,941 6.558,942 4.261,943 6.102,944 1,945 7.292,946 3.094,947 3.892,948 4.913,950 7.486,951 3.79,952 7.43,953 0.689,954 8.956,955 2.275,956 5.953,957 7.379,958 1.175,959 10.607,960 5.814,961 8.8,962 0.549,963 10.679,964 1.592,965 6.347,966 8.139,968 12.399,969 6.195,970 10.204,971 0.389,972 12.441,973 0.93,974 7.853,975 10.056,976 0.966,977 15.05,978 7.678,979 11.632,980 -0.028,981 14.232,982 0.641,983 8.65,984 11.245,986 17.218,987 8.467,988 13.082,989 -0.479,990 16.045,991 -0.059,992 9.936,993 12.944,994 0.788,995 19.72,996 9.737,997 3.269,998 -0.671,999 17.875,1000 -1.007,1001 10.931,1002 14.343,1004 22.048,1005 10.725,1006 2.731,1007 11.485,1008 19.72,1009 -1.665,1010 12.134,1011 15.958,1012 0.634,1013 24.504,1014 11.915,1015 2.565,1016 8.666,1017 21.578,1018 4.851,1019 13.223,1020 17.455,1022 26.897,1023 12.996,1024 2.301,1025 7.358,1026 23.446,1027 3.765,1028 14.399,1029 19.04,1030 0.504,1031 29.34,1032 14.161,1033 2.061,1034 6.843,1035 25.324,1036 3.604,1037 15.533,1038 20.581,1040 31.759,1041 15.286,1042 1.805,1043 6.183,1044 27.208,1045 3.057,1046 16.703,1047 22.158,1048 0.395,1049 34.199,1050 16.444,1051 1.432,1052 5.454,1053 29.1,1054 2.722,1055 17.86,1056 23.719,1058 36.63,1059 17.59,1060 6179,1061 10547,1062 18.493,1063 26.949,1064 40.185,1065 40.974,1066 41.683,1067 40.124,1068 40.187,1069 56.224,1070 4.24,1071 117.241,1072 38.336,1073 5.518,1074 5.297,1075 6.417,1076 5.33,1077 5.269,1078 7.851,1079 1.72,1080 18.869,1081 5.217,1082 9.248,1083 1.488,1084 1.518,1085 1.544,1086 1.486,1087 1.488,1088 2.082,1089 0.157,1090 4.342,1091 1.42,1092 4.183,1093 4.193,1094 4.167,1095 4.065,1096 5.259,1097 4.088,1098 3.902,1099 3.928,1100 3.846,1101 3.82,1102 4.877,1103 3.822,1104 3.659,1105 3.695,1106 3.612,1107 3.509,1108 4.797,1109 3.531,1110 3.291,1111 3.346,1112 3.173,1113 3.02,1114 4.566,1115 3.047,1116 3.236,1117 3.303,1118 3.09,1119 2.956,1120 4.413,1121 2.972,1122 3.054,1123 3.095,1124 2.946,1125 2.833,1126 4.181,1127 2.853,1128 2.96,1129 3.047,1130 2.788,1131 2.745,1132 3.943,1133 2.739,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.674,1139 2.715,1140 0.176,1141 0.122,1142 0.254,1143 0.158,1144 0.121,1145 4.753,1146 0.18,1147 3.297,1148 0.032,1149 6.864,1150 0.425,1151 4.253,1152 0.119,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.942,1159 1.923,1160 2.011,1161 2.048,1162 1.147,1163 2.034,1164 1.885,1165 1.862,1166 1.984,1167 2,1168 1.066,1169 1.993,1170 1.707,1171 1.687,1172 1.762,1173 1.895,1174 0.79,1175 1.861,1176 1.216,1177 1.156,1178 1.571,1179 1.53,1180 0.576,1181 1.54,1182 1.191,1183 1.121,1184 1.561,1185 1.51,1186 0.568,1187 1.525,1188 0.967,1189 0.927,1190 1.181,1191 1.225,1192 0.218,1193 1.202,1194 0.92,1195 0.845,1196 1.169,1197 1.171,1198 0.2,1199 1.163,1200 0.886,1201 0.821,1202 1.122,1203 1.062,1204 0.183,1205 1.107,1206 4.007,1208 5.333,1209 2.398,1210 6.868,1211 4.844,1212 8.496,1213 7.066,1214 10.173,1216 3.263,1223 3.256,1224 10.41,1231 26.369,1232 62.959,1233 136.969,1234 158.215,1235 175.866,1236 180.621,1237 182.621,1238 26.807,1239 7.629,1240 69.41,1241 69.41,1242 23,1243 12.572,1244 4.459,1245 3.524,1246 33.904,1247 83,1248 98,1249 0.203,1250 159.884,1251 262.53,1252 381.877,1253 21019,1255 16.518,1256 0.688,1257 0.552,1258 16.518,1259 13.238,1260 11.78,1261 0.436,1262 0.274,1263 7.246,1264 11.158,1265 7.051,1266 5.877,1267 11.78,1268 7.406,1269 10.296,1270 0.271,1271 0.137,1272 10.296,1273 5.218,1274 9.3,1275 0.175,1276 0.072,1277 9.3,1278 3.812,1279 7.828,1280 0.109,1281 0.036,1282 7.828,1283 2.582,1284 6.665,1285 0.069,1286 0.018,1287 6.665,1288 1.754,1289 0.315,1290 75.041,1291 0.233,1292 23.301,1293 0.567,1294 130,1295 420.83,1296 145.571,1297 396.914,1298 554.98,1299 376,1300 156,1301 420.547,1302 172.46,1303 424.501,1304 622.48,1305 397,1306 6.056} {0 CHEMBL2314168,1 1.637,2 10.615,3 4.023,4 16.186,5 95.74,6 8.172,7 0.724,8 3.907,9 3.995,10 3.558,11 3.392,12 5.103,13 3.424,14 4.401,15 4.538,16 3.902,17 3.732,18 5.546,19 3.767,20 4.479,21 4.594,22 4.002,23 3.839,24 5.678,25 3.86,26 4.582,27 4.732,28 3.916,29 3.865,30 5.704,31 3.844,32 4.635,33 4.84,34 3.755,35 3.811,36 5.651,37 3.758,38 4.521,39 4.728,40 3.67,41 3.701,42 5.554,43 3.651,44 4.417,45 4.646,46 3.601,47 3.569,48 5.443,49 3.522,50 4.197,51 4.362,52 3.521,53 3.454,54 5.332,55 3.441,56 0.101,57 0.613,58 7.469,59 3.779,60 6.949,61 4.187,62 0.429,63 0.938,64 15.783,65 5.977,66 26.262,67 6.535,68 0.505,69 1.042,70 15.458,71 6.339,72 25.308,73 7.169,74 0.491,75 1.139,76 18.23,77 7.392,78 27.538,79 8.812,80 0.543,81 1.147,82 22.396,83 7.87,84 36.086,85 9.964,86 0.492,87 1.051,88 19.631,89 6.719,90 32.293,91 8.707,92 0.527,93 0.914,94 18.838,95 6.306,96 31.081,97 8.67,98 0.395,99 0.757,100 13.018,101 4.776,102 23.547,103 5.751,104 19,105 41,106 0.281,107 0.605,108 0.702,109 0.783,110 0.81,111 0.851,112 3.305,113 0.821,114 -3.07,115 -3.07,116 -2.95,119 44.2,123 3,133 6,134 1,135 4,137 1,138 1,139 1,143 2,159 3,161 1,162 7,164 1,166 2,168 4,171 3,172 6,174 1,176 1,178 2,181 1,182 8,185 2,187 1,194 5,197 1,199 2,205 2,206 4,211 1,213 2,216 3,217 1,220 1,224 5,228 2,229 1,237 4,241 1,242 5,250 1,255 982,256 18.143,257 18.143,258 18.143,259 18.143,260 18.143,261 15.765,262 21.033,263 10.479,264 18.849,265 14.14,266 14.14,267 14.14,268 14.14,269 14.14,270 10.339,271 31.796,272 4.714,273 14.987,274 3.79,275 1.906,276 1.338,277 0.867,278 0.71,279 0.471,280 4.005,283 1,284 1,285 599,286 2.915,288 39.318,289 186.418,291 159.767,295 1.615,296 22.526,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 57.5,307 276,308 4.753,309 3.301,310 6.864,311 4.253,312 3.269,313 4.851,314 0.86,315 11.485,316 3.217,317 4.273,318 3.197,319 6.172,320 3.855,321 2.906,322 3.921,323 0.86,324 9.159,325 2.754,326 4.061,327 2.862,328 6.024,329 3.609,330 2.653,331 3.724,332 0.86,333 8.604,334 2.534,335 3.677,336 2.627,337 5.425,338 3.277,339 2.34,340 3.08,341 0.4,342 7.044,343 2.186,344 3.46,345 2.262,346 5.212,347 3.036,348 2.082,349 2.794,351 6.393,352 1.978,353 3.282,354 2.158,355 4.967,356 2.772,357 1.805,358 2.649,360 5.461,361 1.744,362 2.919,363 1.846,364 4.459,365 2.521,366 1.609,367 2.084,369 4.185,370 1.461,371 2.898,372 1.498,373 4.353,374 2.378,375 1.431,376 2.057,378 4.04,379 1.351,380 2.772,381 1.32,382 3.841,383 2.248,384 1.299,385 1.897,386 3.094,387 1.228,388 2.062,389 1.108,390 3.29,391 1.66,392 0.746,393 0.923,394 1.623,395 0.674,396 1.91,397 1.026,398 3.075,399 1.543,400 0.62,401 0.786,402 1.241,403 0.567,404 1.609,405 0.935,406 2.883,407 1.294,408 0.414,409 0.481,411 0.676,412 0.361,413 1.483,414 0.607,415 2.823,416 1.205,417 0.345,418 0.384,420 0.486,421 0.294,422 1.26,423 0.204,424 2.509,425 0.894,426 -0.028,427 -0.035,429 -0.06,430 -0.025,431 0.886,432 -0.113,433 2.403,434 0.464,435 -0.459,436 -0.58,438 -0.912,439 -0.417,440 12.033,441 0.463,442 0.53,443 0.02,444 38,445 1.462,446 20,447 0.769,448 18,449 0.692,450 17.345,451 0.667,452 27.567,453 0.641,454 27.825,455 1.07,456 7.914,457 0.304,458 4.814,459 0.185,460 0.125,462 0.374,466 0.927,467 1.356,468 0.687,469 1.168,470 0.866,471 0.923,472 1.382,473 0.836,474 0.791,475 0.712,476 1.167,477 0.632,478 1.017,479 1.147,480 0.877,481 1.007,482 0.884,483 0.929,484 0.952,485 1.249,486 1.045,487 1.192,488 0.953,489 1.155,490 1.062,491 1.043,492 1.056,493 0.971,494 1.099,495 1.005,496 0.947,497 1.049,498 1.046,499 0.977,500 1.016,501 1.015,502 0.614,503 0.811,504 0.753,505 0.812,506 0.615,507 0.804,508 1.003,509 1.01,510 1.02,511 1,512 1.079,513 0.996,514 5,515 0.115,516 2.889,517 2.076,518 1.555,519 0.733,520 0.631,521 0.315,522 0.278,523 0.207,524 7825,525 22943,526 2.124,527 39.5,529 15,531 1,532 1,536 1.691,537 2,538 3.381,539 -0.294,541 1,545 70.377,546 1.637,547 3.52,548 4.088,549 4.559,550 4.716,551 4.955,552 2.888,553 4.364,554 4.67,555 3.495,556 1135.99,557 8.097,558 13870.6,560 1,562 1,563 233.329,564 1.37,565 4.637,566 0.172,567 0.008,568 0.07,569 0.047,570 0.04,571 0.022,572 0.021,573 0.011,574 0.011,575 0.01,576 0.413,577 0.33,578 1,579 0.9,580 126.371,581 -0.076,582 -0.248,583 0.071,584 -0.163,585 -0.087,586 -0.036,587 -0.196,588 0.202,589 0.126,590 0.257,591 -0.1,592 0.264,593 0.062,594 -0.064,595 -0.023,596 -0.042,597 0.079,598 -0.056,599 0.002,600 -0.212,601 -0.154,602 -0.219,603 -0.043,604 -0.229,605 -0.123,606 -0.069,607 -0.068,609 -0.125,610 -0.02,611 -0.058,612 -0.031,613 -0.07,614 -0.028,615 -0.083,616 -0.046,617 0.244,618 0.166,619 0.271,620 0.153,621 0.323,622 0.21,623 0.014,624 0.033,625 -0.092,626 -0.046,627 -0.044,628 -0.076,629 1.1,630 2.476,631 0.731,632 22.331,633 1.019,634 1.122,635 1.841,636 3.389,637 0.678,638 3.401,639 3.738,640 4.078,641 4.382,642 4.644,643 4.771,644 4.956,645 5.124,646 5.159,647 5.263,648 6.089,649 0.665,650 351.39,651 3.401,652 4.949,653 5.826,654 6.723,655 7.618,656 8.523,657 9.426,658 10.335,659 11.242,660 12.154,661 7,669 1,671 2,674 4,675 7,676 2,678 1,680 5,682 21,692 1,697 3,699 43,700 21,701 2,702 29,704 46,705 19,706 16,707 6,708 6,710 4,711 7,721 16,722 3,733 1,735 1,736 17,737 7,738 1,739 7,743 3,747 0.5,748 4,755 1,759 1,760 3,762 2,777 2,781 3,785 26,790 1,791 3,801 9.3,806 4,808 13,809 8.9,810 5.889,811 2.268,812 4.336,813 1.556,814 0.998,815 4.468,816 12.136,817 3.701,818 4.391,819 5.098,820 5.79,821 6.426,822 6.864,823 7.386,824 7.9,825 8.198,826 8.609,827 1,828 44,829 9.516,831 3.979,832 7.712,833 17.968,835 14.277,837 2.212,838 57.5,841 1,842 188.338,843 133.33,844 51.582,846 42.507,849 133.33,850 230.845,851 51.582,852 32.649,854 56.857,855 45.342,856 92.34,857 12,858 176.567,860 188.338,861 184.912,862 42.507,865 188.338,866 42.507,869 28.773,870 122.567,871 33.571,873 188.338,874 94.089,875 133.33,878 188.338,879 35.204,880 98.125,881 18.011,882 76.078,883 188.338,884 94.089,885 133.33,887 0.574,888 0.36,889 0.203,890 0.111,891 21,892 9,893 0.109,894 5,895 2,896 1.211,897 3.765,898 227.228,899 0.211,900 19,901 120.211,904 16.787,905 6.92,906 3.024,907 2.903,908 94.089,909 12.665,910 8.677,912 5.976,914 3.357,916 18.011,917 415.756,918 39.5,926 43.8,927 48.239,928 0.302,929 0.649,930 0.753,931 0.84,932 0.869,933 0.913,934 4.929,935 1.431,936 5.814,937 4.185,938 4.419,939 5.078,940 1.751,941 6.663,942 4.322,943 6.165,944 1.299,945 7.393,946 4.04,947 4.007,948 5.007,950 7.627,951 3.893,952 7.5,953 0.746,954 9.071,955 3.094,956 6.047,957 7.437,958 1.466,959 10.745,960 5.887,961 8.877,962 0.62,963 10.806,964 1.623,965 6.479,966 8.225,968 12.545,969 6.301,970 10.287,971 0.414,972 12.578,973 1.241,974 7.967,975 10.119,976 1.234,977 15.186,978 7.762,979 11.721,980 0.345,981 14.377,982 0.676,983 8.79,984 11.319,986 17.343,987 8.569,988 13.175,989 -0.028,990 16.195,991 0.486,992 10.065,993 13.004,994 1.028,995 19.832,996 9.826,997 3.269,998 -0.459,999 18.029,1000 -0.06,1001 11.071,1002 14.404,1004 22.143,1005 10.819,1006 2.906,1007 11.485,1008 19.874,1009 -0.912,1010 12.266,1011 16.009,1012 0.845,1013 24.585,1014 12,1015 2.653,1016 9.159,1017 21.731,1018 4.851,1019 13.356,1020 17.502,1022 26.964,1023 13.079,1024 2.34,1025 8.604,1026 23.596,1027 3.921,1028 14.525,1029 19.08,1030 0.684,1031 29.396,1032 14.235,1033 2.082,1034 7.044,1035 25.468,1036 3.724,1037 15.655,1038 20.616,1040 31.805,1041 15.355,1042 1.805,1043 6.393,1044 27.347,1045 3.08,1046 16.817,1047 22.188,1048 0.546,1049 34.237,1050 16.507,1051 1.609,1052 5.461,1053 29.231,1054 2.794,1055 17.967,1056 23.744,1058 36.661,1059 17.646,1060 7510,1061 12994,1062 19.592,1063 29.165,1064 42.901,1065 44.15,1066 45.268,1067 42.916,1068 43.04,1069 59.261,1070 5.96,1071 126.984,1072 40.699,1073 5.524,1074 5.301,1075 6.418,1076 5.331,1077 5.269,1078 7.851,1079 1.72,1080 18.87,1081 5.217,1082 11.765,1083 1.479,1084 1.522,1085 1.561,1086 1.48,1087 1.484,1088 2.043,1089 0.206,1090 4.379,1091 1.403,1092 4.184,1093 4.193,1094 4.168,1095 4.065,1096 5.26,1097 4.088,1098 3.916,1099 3.933,1100 3.871,1101 3.821,1102 4.934,1103 3.83,1104 3.662,1105 3.697,1106 3.616,1107 3.509,1108 4.801,1109 3.532,1110 3.298,1111 3.352,1112 3.184,1113 3.03,1114 4.567,1115 3.058,1116 3.247,1117 3.314,1118 3.096,1119 2.965,1120 4.496,1121 2.98,1122 3.235,1123 3.303,1124 3.051,1125 2.947,1126 4.375,1127 2.957,1128 3.053,1129 3.093,1130 2.944,1131 2.833,1132 4.17,1133 2.853,1134 2.949,1135 3.036,1136 2.78,1137 2.744,1138 3.925,1139 2.737,1140 0.164,1141 0.114,1142 0.237,1143 0.147,1144 0.113,1145 4.753,1146 0.167,1147 3.301,1148 0.03,1149 6.864,1150 0.396,1151 4.253,1152 0.111,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.217,1158 1.941,1159 1.923,1160 2.007,1161 2.049,1162 1.147,1163 2.033,1164 1.881,1165 1.863,1166 1.968,1167 2.002,1168 1.068,1169 1.991,1170 1.707,1171 1.688,1172 1.76,1173 1.9,1174 0.79,1175 1.862,1176 1.221,1177 1.161,1178 1.576,1179 1.53,1180 0.577,1181 1.54,1182 1.193,1183 1.126,1184 1.57,1185 1.524,1186 0.575,1187 1.539,1188 1.19,1189 1.114,1190 1.556,1191 1.503,1192 0.566,1193 1.519,1194 0.967,1195 0.927,1196 1.169,1197 1.225,1198 0.204,1199 1.201,1200 0.916,1201 0.842,1202 1.142,1203 1.158,1204 0.185,1205 1.155,1206 4.078,1208 5.407,1209 2.398,1210 6.95,1211 4.844,1212 8.588,1213 7.066,1214 10.275,1216 4.812,1223 3.251,1224 15.859,1231 28.611,1232 70.377,1233 151.374,1234 175.781,1235 196.045,1236 202.8,1237 213.065,1238 32.05,1239 7.8,1240 78.64,1241 78.64,1242 23,1243 12.669,1244 4.459,1245 3.524,1246 38.039,1247 94,1248 98,1249 0.2,1250 173.473,1251 288.62,1252 415.033,1253 25925,1255 18.096,1256 0.696,1257 0.56,1258 18.096,1259 14.569,1260 12.728,1261 0.439,1262 0.274,1263 7.733,1264 11.958,1265 7.494,1266 6.264,1267 12.728,1268 7.935,1269 11.017,1270 0.269,1271 0.136,1272 11.017,1273 5.559,1274 10.053,1275 0.173,1276 0.071,1277 10.053,1278 4.106,1279 8.628,1280 0.109,1281 0.036,1282 8.628,1283 2.822,1284 7.19,1285 0.07,1286 0.018,1287 7.19,1288 1.898,1289 0.31,1290 81.848,1291 0.226,1292 24.867,1293 0.557,1294 140,1295 476.565,1296 158.449,1297 443.2,1298 615.99,1299 420,1300 169,1301 462.092,1302 188.892,1303 466.152,1304 684.15,1305 434,1306 5} {0 CHEMBL2314169,1 1.338,2 10.038,3 5.259,4 27.655,5 100.354,6 7.574,7 0.724,8 3.941,9 4.022,10 3.536,11 3.504,12 5.064,13 3.496,14 4.456,15 4.589,16 3.876,17 3.87,18 5.511,19 3.857,20 4.571,21 4.693,22 3.948,23 4.005,24 5.617,25 3.969,26 4.712,27 4.878,28 3.9,29 4.041,30 5.708,31 3.963,32 4.733,33 4.939,34 3.786,35 3.988,36 5.645,37 3.894,38 4.647,39 4.828,40 3.712,41 3.915,42 5.595,43 3.829,44 4.637,45 4.864,46 3.671,47 3.82,48 5.562,49 3.721,50 4.454,51 4.647,52 3.55,53 3.684,54 5.428,55 3.611,56 0.012,57 0.55,58 8.975,59 4.603,60 7.65,61 5.368,62 0.231,63 0.899,64 17.699,65 7.481,66 22.598,67 8.614,68 0.17,69 1.027,70 18.87,71 8.599,72 19.048,73 10.066,74 0.39,75 1.187,76 23.298,77 10.095,78 30.794,79 12.613,80 0.261,81 1.217,82 25.208,83 10.428,84 28.418,85 13.327,86 0.281,87 1.103,88 22.637,89 9.351,90 28.573,91 11.47,92 0.392,93 1.1,94 23.778,95 9.487,96 31.164,97 12.591,98 0.212,99 0.904,100 19.018,101 7.67,102 24.021,103 9.521,104 19,105 41,106 0.227,107 0.512,108 0.644,109 0.76,110 0.777,111 0.788,112 3.305,113 0.871,114 -4.56,115 -4.48,116 -4.22,119 47.8,121 1,123 3,133 9,134 4,135 3,143 2,159 11,162 10,168 16,172 7,178 14,181 2,182 8,190 13,194 5,202 14,206 4,213 9,216 2,217 8,224 7,229 5,237 4,242 6,250 2,255 978,256 18.091,257 18.091,258 18.091,259 18.091,260 18.091,261 15.74,262 20.216,263 10.494,264 18.627,265 14.168,266 14.168,267 14.168,268 14.168,269 14.168,270 10.367,271 28.026,272 4.781,273 14.728,274 4.186,275 2.508,276 1.724,277 1.044,278 0.941,279 0.881,280 4.005,284 1,285 565,286 2.915,288 38.49,289 184.023,291 156.384,295 1.583,296 17.114,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 56,307 261,308 4.753,309 3.325,310 6.864,311 4.268,312 3.269,313 4.851,314 0.86,315 11.485,316 3.266,317 4.217,318 3.097,319 6.043,320 3.814,321 2.84,322 3.864,323 0.86,324 8.753,325 2.771,326 4.044,327 2.868,328 5.769,329 3.599,330 2.624,331 3.708,332 0.86,333 8.168,334 2.557,335 3.645,336 2.641,337 5.388,338 3.251,339 2.294,340 3.056,341 0.68,342 6.911,343 2.188,344 3.355,345 2.555,346 5.061,347 2.972,348 2.061,349 2.661,351 5.937,352 1.901,353 3.329,354 2.215,355 4.969,356 2.94,357 1.97,358 2.604,360 5.818,361 1.867,362 3.263,363 1.848,364 4.917,365 2.789,366 1.796,367 2.562,369 5.415,370 1.78,371 2.893,372 1.507,373 4.43,374 2.416,375 1.423,376 2.079,378 4.061,379 1.411,380 2.766,381 1.323,382 3.841,383 2.291,384 1.293,385 1.887,386 3.093,387 1.289,388 2.039,389 1.111,390 3.276,391 1.61,392 0.644,393 0.861,394 1.532,395 0.616,396 1.61,397 1.035,398 2.933,399 1.333,400 0.484,401 0.525,402 0.695,403 0.407,404 1.592,405 0.916,406 2.842,407 1.298,408 0.401,409 0.475,411 0.661,412 0.358,413 1.576,414 0.632,415 2.827,416 1.27,417 0.396,418 0.452,420 0.602,421 0.342,422 1.301,423 0.149,424 2.761,425 0.962,426 -0.031,427 -0.041,429 -0.084,430 -0.031,431 0.869,432 -0.292,433 2.404,434 0.452,435 -0.528,436 -0.708,438 -1.303,439 -0.513,440 12.333,441 0.474,442 0.547,443 0.021,444 36,445 1.385,446 19.5,447 0.75,448 16.5,449 0.635,450 19.045,451 0.732,452 27.267,453 0.593,454 26.251,455 1.01,456 7.513,457 0.289,458 5.198,459 0.2,460 0.122,462 0.365,466 0.856,467 1.122,468 0.741,469 1.087,470 0.846,471 0.927,472 1.374,473 0.767,474 0.842,475 0.741,476 1.133,477 0.702,478 1.149,479 1.076,480 1.01,481 1.062,482 1.078,483 1.02,484 0.803,485 1.096,486 1.032,487 1.105,488 0.904,489 1.109,490 0.93,491 0.989,492 0.977,493 0.991,494 0.908,495 0.992,496 1.179,497 1.057,498 1.158,499 1.063,500 1.207,501 1.099,502 0.637,503 0.951,504 0.814,505 0.952,506 0.638,507 0.922,508 1.147,509 1.027,510 1.01,511 1.018,512 1.121,513 0.994,514 5.5,515 0.098,516 2.222,517 2.326,518 1.475,519 0.789,520 0.633,521 0.251,522 0.336,523 0.172,524 7689,525 20169,526 2.124,527 43.5,528 2,529 18,536 1.693,537 2,538 3.319,539 -0.836,545 61.538,546 1.338,547 3.015,548 3.799,549 4.479,550 4.583,551 4.642,552 2.763,553 4.056,554 4.671,555 3.448,556 1120.63,557 8.108,558 13661.2,563 254.084,564 1.37,565 4.637,566 0.19,567 0.007,568 0.054,569 0.054,570 0.038,571 0.023,572 0.02,573 0.008,574 0.012,575 0.009,576 0.415,577 0.33,578 1,579 0.9,580 125.958,581 -0.008,582 -0.105,583 0.077,584 -0.086,585 -0.034,586 -0.006,587 -0.166,588 0.234,589 0.098,590 0.24,591 -0.058,592 0.221,593 -0.131,594 -0.074,595 -0.12,596 -0.077,597 -0.139,598 -0.093,599 0.115,600 -0.109,601 -0.104,602 -0.122,603 0.005,604 -0.147,605 -0.062,606 -0.01,607 -0.011,608 -0.007,609 -0.012,610 -0.001,611 -0.157,612 -0.075,613 -0.197,614 -0.087,615 -0.21,616 -0.138,617 0.231,618 0.019,619 0.184,620 0.029,621 0.279,622 0.086,623 -0.094,624 -0.05,625 -0.024,626 -0.044,627 -0.081,628 -0.025,629 0.888,630 2.669,631 0.731,632 21.556,633 1.003,634 1.108,635 3.329,636 11.082,637 0.683,638 3.401,639 3.738,640 4.06,641 4.382,642 4.654,643 4.787,644 4.97,645 5.118,646 5.159,647 5.273,648 5.952,649 0.655,650 348.42,651 3.401,652 4.949,653 5.82,654 6.718,655 7.609,656 8.516,657 9.416,658 10.327,659 11.232,660 12.146,674 4,675 9,678 1,680 5,682 21,697 3,699 46,700 21,701 3,702 29,704 49,705 22,706 18,707 9,708 9,710 4,711 7,719 1,721 18,722 4,735 1,736 20,737 4,739 4,747 0.5,748 4,759 1,760 3,762 2,777 2,781 3,785 26,789 1,791 3,801 8.7,806 4,808 13,809 9.417,810 5.861,811 2.542,812 4.351,813 1.558,814 1,815 4.576,816 12.151,817 3.701,818 4.391,819 5.089,820 5.794,821 6.427,822 6.873,823 7.391,824 7.896,825 8.199,826 8.614,827 0.857,828 43,829 9.556,831 3.99,832 7.596,833 18.411,835 14.942,837 2.096,838 54.5,842 235.422,843 157.39,846 42.507,849 157.39,850 277.929,852 32.649,853 2.535,854 85.286,856 69.754,857 9.672,858 235.422,860 235.422,861 157.39,862 42.507,865 235.422,866 42.507,869 2.535,870 154.855,873 235.422,874 42.507,875 157.39,878 235.422,879 39.454,880 117.935,882 42.507,883 235.422,884 42.507,885 157.39,887 0.574,888 0.352,889 0.198,890 0.115,891 21,892 9,893 0.102,894 5,895 2,896 1.211,897 3.755,898 227.854,899 0.211,900 19,901 114.211,904 16.947,905 7.021,906 3.193,907 3.924,908 42.507,909 18.075,912 6.169,914 4.567,917 435.319,918 39.5,926 46.145,927 50.99,928 0.242,929 0.546,930 0.688,931 0.811,932 0.83,933 0.84,934 4.929,935 1.423,936 5.808,937 5.415,938 4.419,939 5.078,940 1.85,941 6.648,942 4.362,943 6.165,944 1.293,945 7.378,946 4.061,947 4.007,948 5.007,950 7.573,951 3.94,952 7.498,953 0.644,954 9.044,955 3.093,956 6.038,957 7.431,958 1.55,959 10.696,960 5.955,961 8.871,962 0.484,963 10.766,964 1.532,965 6.447,966 8.207,968 12.463,969 6.357,970 10.276,971 0.401,972 12.526,973 0.695,974 7.938,975 10.105,976 1.288,977 15.116,978 7.847,979 11.705,980 0.396,981 14.312,982 0.661,983 8.742,984 11.298,986 17.265,987 8.651,988 13.153,989 -0.031,990 16.12,991 0.602,992 10.019,993 12.986,994 1.06,995 19.764,996 9.932,997 3.269,998 -0.528,999 17.945,1000 -0.084,1001 11.016,1002 14.385,1004 22.08,1005 10.932,1006 2.84,1007 11.485,1008 19.784,1009 -1.303,1010 12.213,1011 15.992,1012 0.863,1013 24.531,1014 12.133,1015 2.624,1016 8.753,1017 21.636,1018 4.851,1019 13.3,1020 17.486,1022 26.917,1023 13.225,1024 2.294,1025 8.168,1026 23.499,1027 3.864,1028 14.471,1029 19.067,1030 0.694,1031 29.356,1032 14.4,1033 2.061,1034 6.911,1035 25.371,1036 3.708,1037 15.602,1038 20.604,1040 31.772,1041 15.535,1042 1.97,1043 5.937,1044 27.251,1045 3.056,1046 16.767,1047 22.177,1048 0.551,1049 34.209,1050 16.704,1051 1.796,1052 5.818,1053 29.138,1054 2.661,1055 17.919,1056 23.735,1058 36.638,1059 17.86,1060 7385,1061 12063,1062 19.592,1063 31.432,1064 42.749,1065 44.299,1066 44.806,1067 42.782,1068 42.989,1069 59.168,1070 6.52,1071 126.266,1072 41.507,1073 5.528,1074 5.325,1075 6.417,1076 5.268,1077 5.269,1078 7.851,1079 1.72,1080 18.871,1081 5.266,1082 11.716,1083 1.474,1084 1.528,1085 1.545,1086 1.475,1087 1.482,1088 2.04,1089 0.225,1090 4.354,1091 1.431,1092 4.206,1093 4.207,1094 4.181,1095 4.128,1096 5.189,1097 4.139,1098 3.926,1099 3.94,1100 3.877,1101 3.85,1102 4.916,1103 3.853,1104 3.706,1105 3.728,1106 3.643,1107 3.63,1108 4.72,1109 3.629,1110 3.312,1111 3.357,1112 3.193,1113 3.13,1114 4.58,1115 3.134,1116 3.303,1117 3.355,1118 3.144,1119 3.033,1120 4.4,1121 3.046,1122 3.246,1123 3.305,1124 3.106,1125 3.006,1126 4.209,1127 3.026,1128 3.089,1129 3.144,1130 2.939,1131 2.875,1132 4.142,1133 2.879,1134 3.026,1135 3.093,1136 2.807,1137 2.823,1138 3.726,1139 2.806,1140 0.164,1141 0.115,1142 0.237,1143 0.147,1144 0.113,1145 4.753,1146 0.167,1147 3.325,1148 0.03,1149 6.864,1150 0.396,1151 4.268,1152 0.113,1153 3.269,1154 4.851,1155 0.86,1156 11.485,1157 3.266,1158 2.011,1159 1.996,1160 2.091,1161 2.071,1162 1.291,1163 2.078,1164 1.906,1165 1.893,1166 1.994,1167 2.006,1168 1.144,1169 2,1170 1.79,1171 1.78,1172 1.885,1173 1.917,1174 0.974,1175 1.904,1176 1.266,1177 1.22,1178 1.59,1179 1.558,1180 0.643,1181 1.565,1182 1.227,1183 1.163,1184 1.578,1185 1.532,1186 0.584,1187 1.544,1188 1.187,1189 1.119,1190 1.555,1191 1.483,1192 0.571,1193 1.507,1194 1.069,1195 1.014,1196 1.388,1197 1.279,1198 0.525,1199 1.318,1200 1.027,1201 0.973,1202 1.209,1203 1.245,1204 0.275,1205 1.23,1206 4.078,1208 5.407,1209 2.398,1210 6.944,1211 4.844,1212 8.576,1213 7.066,1214 10.258,1216 4.975,1222 0.724,1224 16.065,1231 30.127,1232 61.538,1233 138.707,1234 174.761,1235 206.045,1236 210.8,1237 213.555,1238 32.008,1239 7.8,1240 40.83,1241 40.83,1242 23,1243 12.661,1244 4.459,1245 3.524,1246 37.957,1247 92,1248 98,1249 0.204,1250 181.867,1251 307.52,1252 435.515,1253 25925,1255 18.096,1256 0.696,1257 0.578,1258 18.096,1259 15.036,1260 12.711,1261 0.438,1262 0.29,1263 8.264,1264 12.126,1265 7.962,1266 6.651,1267 12.711,1268 8.417,1269 11.123,1270 0.271,1271 0.15,1272 11.123,1273 6.156,1274 9.911,1275 0.174,1276 0.081,1277 9.911,1278 4.593,1279 8.515,1280 0.108,1281 0.042,1282 8.515,1283 3.292,1284 7.269,1285 0.07,1286 0.023,1287 7.269,1288 2.354,1289 0.315,1290 80.431,1291 0.226,1292 24.774,1293 0.574,1294 140,1295 422.942,1296 152.843,1297 395.937,1298 551.43,1299 376,1300 168,1301 409.909,1302 180.957,1303 417.862,1304 610.42,1305 389,1306 5} {0 CHEMBL2314170,1 1.65,2 10.75,3 4.007,4 16.054,5 102.204,6 8.115,7 0.677,8 3.994,9 4.08,10 3.636,11 3.446,12 5.194,13 3.485,14 4.497,15 4.637,16 3.977,17 3.781,18 5.633,19 3.827,20 4.55,21 4.65,22 4.115,23 3.908,24 5.771,25 3.944,26 4.695,27 4.83,28 4.09,29 3.971,30 5.854,31 3.967,32 4.806,33 4.99,34 3.934,35 3.947,36 5.85,37 3.916,38 4.73,39 4.923,40 3.825,41 3.873,42 5.776,43 3.823,44 4.683,45 4.936,46 3.78,47 3.758,48 5.663,49 3.695,50 4.449,51 4.635,52 3.733,53 3.623,54 5.565,55 3.619,56 0.132,57 0.663,58 8.405,59 4.179,60 7.843,61 4.651,62 0.558,63 0.998,64 18.259,65 6.481,66 31.791,67 7.133,68 0.628,69 1.11,70 16.554,71 6.811,72 27.716,73 7.66,74 0.646,75 1.254,76 20.286,77 8.288,78 31.333,79 9.931,80 0.79,81 1.306,82 26.653,83 8.922,84 46.339,85 10.819,86 0.735,87 1.25,88 24.235,89 8.034,90 43.442,91 10.179,92 0.74,93 1.136,94 26.185,95 8.364,96 42.81,97 12.12,98 0.574,99 0.931,100 18.248,101 6.049,102 34.1,103 7.654,104 33,105 44,106 0.279,107 0.586,108 0.67,109 0.726,110 0.748,111 0.813,112 3.375,113 0.819,114 -2.55,115 -2.57,116 -2.51,119 42.6,123 4,133 5,134 1,135 5,137 1,138 1,139 1,143 2,159 2,161 1,162 7,164 1,166 2,168 4,171 4,172 5,174 1,178 1,181 2,182 9,185 3,187 1,194 4,197 1,199 2,205 3,206 3,211 1,213 2,216 4,220 1,224 4,228 3,229 2,237 2,241 1,242 7,255 1172,256 19.514,257 19.514,258 19.514,259 19.514,260 19.514,261 17.135,262 23.952,263 11.21,264 20.384,265 15.061,266 15.061,267 15.061,268 15.061,269 15.061,270 11.159,271 36.89,272 4.954,273 16.076,274 3.905,275 2.088,276 1.588,277 1.256,278 1.128,279 0.745,280 4.073,283 1,284 1,285 647,286 3.162,288 43.544,289 206.135,291 176.463,295 1.625,296 26.762,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 62.5,307 301,308 4.753,309 3.38,310 6.864,311 4.253,312 3.27,313 4.851,314 0.86,315 11.486,316 3.217,317 4.422,318 3.288,319 6.524,320 4.006,321 3.061,322 4.107,323 0.86,324 10.262,325 2.884,326 4.069,327 2.864,328 6.031,329 3.619,330 2.662,331 3.732,332 0.86,333 8.639,334 2.546,335 3.682,336 2.627,337 5.434,338 3.284,339 2.345,340 3.086,341 0.86,342 7.079,343 2.194,344 3.462,345 2.555,346 5.239,347 3.037,348 2.082,349 2.802,350 0.4,351 6.46,352 1.98,353 3.355,354 2.258,355 5.19,356 2.972,357 2.061,358 2.649,360 6.118,361 1.867,362 3.282,363 1.951,364 4.971,365 2.772,366 1.805,367 2.604,369 5.466,370 1.744,371 2.898,372 1.832,373 4.46,374 2.38,375 1.434,376 2.084,378 4.126,379 1.352,380 2.773,381 1.489,382 3.843,383 2.249,384 1.304,385 1.897,386 3.095,387 1.228,388 2.209,389 1.316,390 3.777,391 1.966,392 1.138,393 1.192,394 2.399,395 0.937,396 2.028,397 1.055,398 3.263,399 1.585,400 0.644,401 0.855,402 1.507,403 0.6,404 1.61,405 1.002,406 2.893,407 1.295,408 0.416,409 0.483,411 0.68,412 0.363,413 1.576,414 0.916,415 2.859,416 1.27,417 0.396,418 0.452,420 0.603,421 0.342,422 1.437,423 0.607,424 2.822,425 1.174,426 0.325,427 0.355,429 0.438,430 0.274,431 1.259,432 0.237,433 2.489,434 0.894,435 -0.028,436 -0.035,438 -0.062,439 -0.025,440 12.867,441 0.46,442 0.581,443 0.021,444 40,445 1.429,446 20.5,447 0.732,448 19.5,449 0.696,450 20.197,451 0.721,452 30.333,453 0.645,454 31.035,455 1.108,456 8.413,457 0.3,458 5.263,459 0.188,460 0.155,462 0.389,466 0.936,467 1.419,468 0.694,469 1.238,470 0.867,471 0.962,472 1.438,473 0.783,474 0.786,475 0.644,476 1.223,477 0.565,478 0.966,479 1.168,480 0.833,481 1.02,482 0.866,483 0.915,484 0.845,485 1.292,486 0.958,487 1.238,488 0.812,489 1.154,490 1.311,491 1.058,492 1.168,493 0.972,494 1.277,495 1.024,496 1.093,497 1.073,498 1.215,499 1.04,500 1.183,501 1.13,502 0.463,503 0.81,504 0.641,505 0.801,506 0.484,507 0.766,508 0.974,509 0.901,510 0.9,511 0.882,512 1.019,513 0.857,514 5.5,515 0.151,516 3.111,517 2.639,518 1.866,519 0.907,520 0.713,521 0.338,522 0.392,523 0.262,524 9219,525 27685,526 2.094,527 40.4,529 17,531 1,532 1,536 1.713,537 1.953,538 3.387,539 -0.288,541 1,545 77.552,546 1.65,547 3.467,548 3.967,549 4.299,550 4.427,551 4.809,552 2.88,553 4.209,554 4.779,555 3.521,556 1331.05,557 8.323,558 17113,560 1,562 1,563 261.066,564 1.432,565 4.736,566 0.177,567 0.008,568 0.071,569 0.054,570 0.041,571 0.023,572 0.021,573 0.01,574 0.012,575 0.01,576 0.428,577 0.33,578 1,579 0.974,580 139.169,581 -0.082,582 -0.283,583 0.074,584 -0.197,585 -0.081,586 -0.051,587 -0.232,588 0.253,589 0.156,590 0.332,591 -0.128,592 0.341,593 0.11,594 -0.051,595 0.009,596 -0.028,597 0.093,598 -0.038,599 0.113,600 -0.231,601 -0.08,602 -0.243,603 0.093,604 -0.225,605 -0.235,606 -0.076,607 -0.183,608 -0.008,609 -0.23,610 -0.072,611 -0.132,612 -0.044,613 -0.25,614 -0.095,615 -0.221,616 -0.184,617 0.314,618 0.128,619 0.404,620 0.167,621 0.409,622 0.287,623 0.034,624 0.126,625 0.074,626 0.068,627 0.035,628 0.089,629 1.154,630 2.502,631 0.679,632 24.276,633 1.022,634 1.125,635 1.32,636 1.743,637 0.668,638 3.466,639 3.807,640 4.159,641 4.477,642 4.727,643 4.852,644 5.037,645 5.198,646 5.247,647 5.371,648 6.251,649 0.656,650 381.42,651 3.466,652 5.017,653 5.9,654 6.804,655 7.704,656 8.615,657 9.521,658 10.435,659 11.345,660 12.26,661 6.4,669 1,671 2,674 4,675 6,676 2,678 1,680 6,682 21,692 1,697 4,699 47,700 21,701 2,702 31,704 50,705 20,706 16,707 7,708 5,710 4,711 7,721 16,722 4,733 1,735 1,736 19,737 8,738 1,739 8,743 3,747 0.5,748 5,755 1,759 1,760 3,762 2,777 2,781 4,785 28,790 1,791 4,801 10.6,806 5,808 14.333,809 9.983,810 6.417,811 2.428,812 4.363,813 1.549,814 0.981,815 5.152,816 12.313,817 3.75,818 4.44,819 5.152,820 5.845,821 6.47,822 6.912,823 7.425,824 7.931,825 8.24,826 8.667,827 1,828 49,829 10.251,831 4.264,832 7.738,833 19.277,835 15.169,837 2.238,838 62.667,841 1,842 211.88,843 139.98,844 51.582,846 53.507,849 139.98,850 265.387,851 51.582,852 43.532,854 47.381,855 45.342,856 108.584,857 12,858 200.109,860 211.88,861 191.562,862 53.507,865 211.88,866 53.507,869 28.773,870 129.217,871 33.571,873 211.88,874 105.089,875 139.98,878 211.88,879 40.448,880 99.532,881 18.011,882 87.078,883 211.88,884 105.089,885 139.98,887 0.572,888 0.367,889 0.213,890 0.116,891 22,892 10,893 0.12,894 6,895 2,896 1.211,897 3.857,898 253.497,899 0.211,900 19,901 126.606,904 18.652,905 7.733,906 3.329,907 2.802,908 105.089,909 10.673,910 8.7,912 6.002,914 3.507,916 18.011,917 456.949,918 41.5,926 48.011,927 52.864,928 0.297,929 0.624,930 0.714,931 0.774,932 0.797,933 0.866,934 4.985,935 1.434,936 5.894,937 5.466,938 4.489,939 5.127,940 1.979,941 6.76,942 4.38,943 6.224,944 1.304,945 7.485,946 4.126,947 4.111,948 5.094,950 7.758,951 3.986,952 7.565,953 1.138,954 9.174,955 3.095,956 6.133,957 7.491,958 1.691,959 10.884,960 5.955,961 8.949,962 0.644,963 10.92,964 2.399,965 6.594,966 8.305,968 12.704,969 6.396,970 10.364,971 0.416,972 12.703,973 1.507,974 8.072,975 10.179,976 1.446,977 15.354,978 7.842,979 11.804,980 0.396,981 14.511,982 0.68,983 8.918,984 11.392,986 17.518,987 8.667,988 13.262,989 0.325,990 16.338,991 0.603,992 10.189,993 13.065,994 1.222,995 20.011,996 9.915,997 3.27,998 -0.028,999 18.18,1000 0.438,1001 11.211,1002 14.469,1004 22.322,1005 10.917,1006 3.061,1007 11.486,1008 20.033,1009 -0.062,1010 12.406,1011 16.067,1012 1.019,1013 24.762,1014 12.093,1015 2.662,1016 10.262,1017 21.896,1018 4.851,1019 13.506,1020 17.559,1022 27.135,1023 13.175,1024 2.345,1025 8.639,1026 23.767,1027 4.107,1028 14.676,1029 19.131,1030 0.837,1031 29.56,1032 14.328,1033 2.082,1034 7.079,1035 25.644,1036 3.732,1037 15.811,1038 20.664,1040 31.96,1041 15.447,1042 2.061,1043 6.46,1044 27.527,1045 3.086,1046 16.974,1047 22.231,1048 0.677,1049 34.383,1050 16.595,1051 1.805,1052 6.118,1053 29.415,1054 2.802,1055 18.126,1056 23.783,1058 36.797,1059 17.732,1060 8913,1061 15585,1062 20.69,1063 31.381,1064 45.627,1065 47.343,1066 48.888,1067 45.71,1068 45.891,1069 62.297,1070 7.68,1071 136.715,1072 43.061,1073 5.529,1074 5.38,1075 6.412,1076 5.332,1077 5.27,1078 7.851,1079 1.72,1080 18.872,1081 5.217,1082 14.075,1083 1.472,1084 1.527,1085 1.577,1086 1.475,1087 1.48,1088 2.01,1089 0.248,1090 4.41,1091 1.389,1092 4.184,1093 4.193,1094 4.168,1095 4.066,1096 5.26,1097 4.088,1098 3.928,1099 3.938,1100 3.894,1101 3.823,1102 4.974,1103 3.837,1104 3.664,1105 3.699,1106 3.619,1107 3.51,1108 4.802,1109 3.533,1110 3.303,1111 3.355,1112 3.187,1113 3.032,1114 4.58,1115 3.06,1116 3.298,1117 3.352,1118 3.144,1119 3.006,1120 4.567,1121 3.026,1122 3.236,1123 3.304,1124 3.094,1125 2.959,1126 4.467,1127 2.976,1128 3.193,1129 3.274,1130 2.976,1131 2.893,1132 4.311,1133 2.892,1134 3.052,1135 3.09,1136 2.932,1137 2.833,1138 4.147,1139 2.851,1140 0.153,1141 0.109,1142 0.221,1143 0.137,1144 0.105,1145 4.753,1146 0.156,1147 3.38,1148 0.028,1149 6.864,1150 0.371,1151 4.253,1152 0.104,1153 3.27,1154 4.851,1155 0.86,1156 11.486,1157 3.217,1158 1.941,1159 1.923,1160 2.006,1161 2.051,1162 1.147,1163 2.032,1164 1.876,1165 1.864,1166 1.949,1167 2.004,1168 1.069,1169 1.989,1170 1.706,1171 1.689,1172 1.759,1173 1.905,1174 0.79,1175 1.862,1176 1.227,1177 1.163,1178 1.59,1179 1.558,1180 0.584,1181 1.565,1182 1.22,1183 1.161,1184 1.572,1185 1.53,1186 0.576,1187 1.54,1188 1.191,1189 1.123,1190 1.566,1191 1.515,1192 0.571,1193 1.53,1194 1.155,1195 1.068,1196 1.535,1197 1.468,1198 0.557,1199 1.49,1200 0.967,1201 0.927,1202 1.169,1203 1.225,1204 0.188,1205 1.199,1206 4.143,1208 5.476,1209 2.398,1210 7.026,1211 4.844,1212 8.674,1213 7.066,1214 10.372,1216 6.304,1223 3.246,1224 21.433,1231 30.853,1232 77.552,1233 162.927,1234 186.436,1235 202.046,1236 208.046,1237 226.046,1238 38.123,1239 7.949,1240 87.87,1241 87.87,1242 23,1243 12.773,1244 4.459,1245 3.524,1246 42.359,1247 105,1248 112,1249 0.2,1250 187.061,1251 314.71,1252 448.189,1253 30879,1255 19.673,1256 0.703,1257 0.568,1258 19.673,1259 15.9,1260 13.677,1261 0.441,1262 0.273,1263 8.22,1264 12.759,1265 7.937,1266 6.652,1267 13.677,1268 8.464,1269 11.748,1270 0.267,1271 0.134,1272 11.748,1273 5.903,1274 10.759,1275 0.171,1276 0.07,1277 10.759,1278 4.387,1279 9.438,1280 0.108,1281 0.035,1282 9.438,1283 3.061,1284 7.831,1285 0.07,1286 0.018,1287 7.831,1288 2.069,1289 0.31,1290 88.656,1291 0.22,1292 26.355,1293 0.56,1294 150,1295 532.301,1296 171.328,1297 489.536,1298 677.02,1299 464,1300 182,1301 503.638,1302 205.325,1303 507.922,1304 746.14,1305 471,1306 5} {0 CHEMBL2321878,1 1.938,2 9.393,3 4.877,4 23.785,5 92.498,6 10.245,7 0.645,8 3.829,9 3.903,10 3.612,11 3.362,12 5.265,13 3.427,14 4.314,15 4.395,16 4.11,17 3.785,18 6.191,19 3.843,20 4.518,21 4.633,22 4.148,23 3.9,24 5.971,25 3.952,26 4.687,27 4.828,28 4.235,29 3.891,30 6.267,31 3.967,32 4.673,33 4.822,34 4.171,35 3.759,36 6.276,37 3.874,38 4.518,39 4.652,40 4.048,41 3.62,42 6.378,43 3.71,44 4.392,45 4.54,46 3.805,47 3.486,48 6.117,49 3.553,50 4.225,51 4.399,52 3.662,53 3.27,54 5.87,55 3.354,56 0.413,57 0.788,58 3.221,59 3.217,60 66.812,61 2.309,62 1.022,63 1.624,64 5.609,65 5.555,66 178.335,67 4.425,68 0.86,69 1.457,70 8.331,71 6.796,72 132.051,73 5.987,74 1.288,75 1.701,76 13.317,77 7.46,78 181.53,79 6.289,80 1.46,81 1.626,82 16.286,83 7.511,84 239.816,85 5.816,86 1.39,87 1.175,88 13.426,89 6.173,90 220.422,91 5.404,92 1.193,93 1.138,94 12.259,95 5.488,96 193.538,97 4.327,98 0.978,99 1.119,100 12.004,101 5.285,102 159.833,103 4.952,104 59,105 48,106 0.338,107 0.688,108 0.805,109 0.894,110 0.894,111 0.894,112 3.376,113 0.76,114 -3.91,115 -3.87,116 -3.67,119 47.4,127 1,133 6,134 5,135 1,143 3,144 1,147 1,155 1,156 1,158 1,159 9,160 1,162 2,164 1,165 1,166 8,168 9,169 2,172 5,174 1,176 8,178 7,179 2,182 7,185 1,186 2,187 7,190 4,194 5,195 1,197 2,199 6,200 1,202 5,205 1,206 4,207 1,209 4,210 1,211 5,213 6,214 1,216 1,217 4,220 1,222 5,224 7,225 1,229 2,234 1,235 2,237 6,238 1,242 1,245 2,246 2,247 1,250 2,251 2,255 1120,256 18.273,257 18.273,258 18.273,259 18.273,260 18.273,261 15.845,262 14.34,263 10.164,264 18.737,265 15.221,266 15.221,267 15.221,268 15.221,269 15.221,270 11.318,271 12.821,272 4.681,273 16.025,274 3.31,275 1.31,276 0.639,277 0.125,278 0.125,279 0.125,280 4.063,284 1,285 562,286 3.873,288 103.792,289 136.627,291 201.95,295 1.449,296 64.294,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 66,307 263,308 4.829,309 4.47,310 7.323,311 4.41,312 3.469,313 4.783,314 3.825,315 12.751,316 3.32,317 4.621,318 3.586,319 7.015,320 4.213,321 3.281,322 4.534,323 1.437,324 11.848,325 3.085,326 4.283,327 3.421,328 6.579,329 3.925,330 2.983,331 3.683,332 0.894,333 10.366,334 2.773,335 4.006,336 3.11,337 5.951,338 3.631,339 2.645,340 3.431,342 8.269,343 2.571,344 3.588,345 2.525,346 5.762,347 3.169,348 2.219,349 2.917,351 7.511,352 2.079,353 3.394,354 2.435,355 5.312,356 2.93,357 1.981,358 2.714,360 6.13,361 1.863,362 3.198,363 2.08,364 4.904,365 2.709,366 1.77,367 2.48,369 5.211,370 1.653,371 2.966,372 1.849,373 4.799,374 2.466,375 1.511,376 2.138,378 4.78,379 1.42,380 2.835,381 1.684,382 4.192,383 2.347,384 1.368,385 1.983,386 3.39,387 1.332,388 2.74,389 1.543,390 3.828,391 2.215,392 1.214,393 1.758,394 2.905,395 1.197,396 2.55,397 1.413,398 3.74,399 1.991,400 1.02,401 1.442,402 2.49,403 0.985,404 2.055,405 0.821,406 3.496,407 1.534,408 0.581,409 0.84,411 1.638,412 0.55,413 1.926,414 0.65,415 2.939,416 1.235,417 0.252,418 0.409,420 0.433,421 0.247,422 1.105,423 0.51,424 2.742,425 0.688,426 -0.246,427 -0.314,429 -0.602,430 -0.227,431 0.901,432 0.51,433 2.492,434 0.417,435 -0.569,436 -0.798,438 -1.379,439 -0.554,440 12.39,441 0.443,442 1.039,443 0.037,444 38.5,445 1.375,446 20,447 0.714,448 18.5,449 0.661,450 20.516,451 0.733,452 30.21,453 0.795,454 34.638,455 1.237,456 8.023,457 0.287,458 5.196,459 0.186,460 0.177,461 0.04,462 0.444,463 3,466 0.692,467 0.795,468 0.595,469 0.738,470 0.681,471 0.651,472 0.389,473 0.746,474 0.518,475 0.907,476 0.371,477 0.877,478 0.663,479 0.953,480 0.74,481 1.131,482 0.601,483 1.074,484 0.903,485 0.933,486 0.986,487 1.047,488 0.907,489 1.07,490 1.279,491 1.139,492 1.122,493 1.04,494 1.231,495 0.97,496 0.799,497 0.814,498 0.958,499 0.927,500 0.826,501 1.004,502 1.06,503 0.769,504 1.266,505 0.899,506 1.1,507 1.086,508 1.146,509 1.091,510 1.062,511 1.106,512 1.228,513 1.069,514 7,515 0.147,516 4.222,517 3.431,518 2.129,519 1.914,520 0.817,521 0.476,522 0.507,523 0.195,524 8295,525 37957,526 2.022,527 26.3,529 6,532 4,536 1.716,537 1.816,538 3.206,539 1.768,545 73.634,546 1.938,547 3.938,548 4.609,549 5.123,550 5.123,551 5.123,552 2.651,553 4.28,554 4.778,555 3.362,556 1270.81,557 8.342,558 15767.3,560 1,563 199.421,564 1.728,565 4.691,566 0.226,567 0.012,568 0.088,569 0.067,570 0.041,571 0.04,572 0.02,573 0.015,574 0.019,575 0.008,576 0.536,577 0.33,578 1,579 1.017,580 136.788,581 -0.084,582 0.059,583 -0.058,584 0.2,585 -0.105,586 0.154,587 0.358,588 0.286,589 0.097,590 0.076,591 0.353,592 -0.046,593 -0.039,594 -0.162,595 0.001,596 -0.185,597 -0.003,598 -0.124,599 -0.073,600 -0.025,601 -0.086,602 -0.113,603 -0.097,604 -0.118,605 -0.289,606 -0.171,607 -0.102,608 -0.084,609 -0.252,610 0.012,611 0.133,612 0.017,613 0.037,614 0.004,615 0.106,616 -0.031,617 -0.099,618 0.097,619 -0.236,620 0.048,621 -0.117,622 -0.088,623 -0.083,624 -0.041,625 0.113,626 -0.08,627 -0.162,628 0.049,629 5.906,630 5.261,631 0.643,632 22.786,633 1.068,634 1.143,635 2.679,636 7.179,637 0.696,638 3.466,639 3.892,640 4.22,641 4.575,642 4.844,643 5.043,644 5.236,645 5.38,646 5.493,647 5.565,648 5.695,649 0.729,650 389.31,651 3.466,652 5.069,653 5.964,654 6.905,655 7.825,656 8.77,657 9.7,658 10.645,659 11.58,660 12.526,661 7.9,669 2,673 1,674 4,675 6,677 2,680 6,682 20,689 1,693 1,696 1,699 38,700 22,701 2,702 31,704 41,705 18,706 16,707 6,708 6,709 1,710 4,711 6,715 1,718 1,721 17,722 1,724 2,728 2,730 1,731 1,734 3,736 10,737 8,738 4,739 10,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,775 1,777 2,783 3,785 28,788 2,795 1,800 3,801 10.5,803 2,804 2,808 15.417,809 6.862,810 5.917,811 2.04,812 4.338,813 1.545,814 0.997,815 4.033,816 12.296,817 3.784,818 4.505,819 5.223,820 5.951,821 6.564,822 7.083,823 7.623,824 8.124,825 8.52,826 8.956,827 1,828 51,829 10.971,831 5.617,832 8.699,833 18.133,835 15.378,837 3.199,838 89.583,842 70.627,843 90.031,844 52.855,846 135.885,847 44.88,849 90.031,850 206.512,851 97.735,854 56.857,855 136.795,856 95.911,857 26.329,858 70.627,859 7.76,860 70.627,861 142.886,862 180.765,865 70.627,866 180.765,869 41.331,870 82.272,871 19.284,873 115.507,874 188.74,875 90.031,878 78.386,879 25.414,880 56.857,881 33.571,882 200.049,883 70.627,884 233.62,885 90.031,887 0.607,888 0.361,889 0.202,890 0.115,891 26,892 13,893 0.073,894 3,895 2,896 1.222,897 3.66,898 266.729,899 0.222,900 18,901 129.851,904 18.231,905 6.194,906 2.8,907 0.201,908 200.049,909 7.34,911 5.131,914 -1.949,916 118.938,917 394.278,918 43,922 22.633,924 2.913,925 -1.216,926 40.571,927 43.428,928 0.369,929 0.75,930 0.878,931 0.976,932 0.976,933 0.976,934 5.069,935 1.511,936 6.033,937 5.211,938 4.575,939 5.193,940 3.28,941 6.98,942 4.481,943 6.357,944 1.368,945 7.687,946 4.78,947 4.511,948 5.293,949 3.903,950 8.25,951 4.298,952 7.729,953 1.214,954 9.446,955 3.39,956 6.344,957 7.581,958 5.463,959 11.353,960 6.154,961 9.141,962 1.02,963 11.265,964 2.905,965 7.048,966 8.484,967 6.69,968 13.393,969 6.749,970 10.584,971 0.581,972 13.121,973 2.49,974 8.451,975 10.302,976 8.064,977 16.085,978 8.151,979 12.05,980 0.252,981 15.002,982 1.638,983 9.461,984 11.565,985 9.388,986 18.414,987 9.076,988 13.534,989 -0.246,990 16.902,991 0.433,992 10.726,993 13.207,994 10.735,995 20.982,996 10.317,997 3.469,998 -0.569,999 18.815,1000 -0.602,1001 11.858,1002 14.63,1003 12.074,1004 23.423,1005 11.381,1006 3.281,1007 12.751,1008 20.738,1009 -1.379,1010 13.081,1011 16.207,1012 13.417,1013 25.953,1014 12.568,1015 2.983,1016 11.848,1017 22.671,1018 4.783,1019 14.261,1020 17.7,1021 14.758,1022 28.439,1023 13.692,1024 2.645,1025 10.366,1026 24.61,1027 4.534,1028 15.474,1029 19.255,1030 16.1,1031 30.96,1032 14.864,1033 2.219,1034 8.269,1035 26.555,1036 3.683,1037 16.675,1038 20.778,1039 17.441,1040 33.466,1041 16.015,1042 1.981,1043 7.511,1044 28.504,1045 3.431,1046 17.89,1047 22.326,1048 18.783,1049 35.987,1050 17.185,1051 1.77,1052 6.13,1053 30.458,1054 2.917,1055 19.101,1056 23.864,1057 20.124,1058 38.504,1059 18.35,1060 8137,1061 17511,1062 19.709,1063 26.455,1064 49.918,1065 49.973,1066 51.478,1067 48.893,1068 48.59,1069 66.228,1070 12.313,1071 155.443,1072 46.15,1073 5.526,1074 6.47,1075 6.827,1076 5.451,1077 5.469,1078 7.783,1079 5.335,1080 20.739,1081 5.32,1082 17.863,1083 1.61,1084 1.612,1085 1.661,1086 1.577,1087 1.567,1088 2.136,1089 0.397,1090 5.014,1091 1.489,1092 4.211,1093 4.238,1094 4.19,1095 4.123,1096 8.513,1097 4.135,1098 4.038,1099 4.064,1100 4.01,1101 3.954,1102 7.999,1103 3.963,1104 3.587,1105 3.606,1106 3.567,1107 3.44,1108 7.999,1109 3.46,1110 3.435,1111 3.464,1112 3.429,1113 3.211,1114 7.529,1115 3.246,1116 3.277,1117 3.329,1118 3.222,1119 3.023,1120 7.475,1121 3.063,1122 3.152,1123 3.173,1124 3.108,1125 2.914,1126 6.473,1127 2.941,1128 2.927,1129 2.97,1130 2.861,1131 2.585,1132 6.351,1133 2.641,1134 2.747,1135 2.791,1136 2.647,1137 2.407,1138 4.955,1139 2.45,1140 0.156,1141 0.144,1142 0.236,1143 0.142,1144 0.112,1145 4.829,1146 0.154,1147 4.47,1148 0.123,1149 7.323,1150 0.411,1151 4.41,1152 0.107,1153 3.469,1154 4.783,1155 3.825,1156 12.751,1157 3.32,1158 1.953,1159 1.936,1160 2.019,1161 2.039,1162 1.193,1163 2.031,1164 1.94,1165 1.922,1166 2.013,1167 2.025,1168 1.154,1169 2.021,1170 1.635,1171 1.604,1172 1.687,1173 1.828,1174 0.822,1175 1.788,1176 1.258,1177 1.21,1178 1.392,1179 1.539,1180 0.415,1181 1.496,1182 1.194,1183 1.193,1184 1.257,1185 1.481,1186 0.3,1187 1.398,1188 1.033,1189 0.991,1190 1.159,1191 1.422,1192 0.261,1193 1.307,1194 0.958,1195 0.918,1196 1.107,1197 1.162,1198 0.139,1199 1.141,1200 0.763,1201 0.704,1202 1,1203 1.061,1205 1.045,1206 4.143,1208 5.541,1209 3.045,1210 7.127,1211 5.533,1212 8.8,1213 7.743,1214 10.52,1218 39.782,1221 19.406,1228 -4.656,1231 27.707,1232 73.634,1233 149.647,1234 175.157,1235 194.666,1236 194.666,1237 194.666,1238 81.798,1239 7.958,1240 118.54,1241 118.54,1242 22,1243 13.02,1244 4.524,1245 3.7,1246 42.179,1247 95,1248 96,1249 0.225,1250 164.547,1251 286.89,1252 393.256,1253 29035,1254 7.9,1255 20.215,1256 0.722,1257 0.491,1258 17.715,1259 13.756,1260 13.219,1261 0.426,1262 0.253,1263 7.677,1264 12.436,1265 7.632,1266 6.216,1267 12.007,1268 7.857,1269 13.234,1270 0.276,1271 0.127,1272 11.239,1273 6.08,1274 10.699,1275 0.16,1276 0.067,1277 9.945,1278 4.479,1279 9.555,1280 0.1,1281 0.034,1282 8.773,1283 3.28,1284 7.897,1285 0.063,1286 0.018,1287 7.295,1288 2.232,1289 0.34,1290 85.375,1291 0.225,1292 25.867,1293 0.66,1294 158,1295 734.415,1296 188.594,1297 625.117,1298 808.89,1299 572,1300 194,1301 571.591,1302 217.754,1303 555.91,1304 837.69,1305 521,1306 6.387} {0 CHEMBL2321945,1 1.771,2 8.583,3 3.631,4 13.181,5 89.161,6 11.672,7 0.593,8 3.673,9 3.732,10 3.597,11 3.329,12 5.016,13 3.344,14 4.119,15 4.182,16 4.074,17 3.754,18 5.575,19 3.755,20 4.355,21 4.456,22 4.247,23 3.843,24 5.778,25 3.837,26 4.395,27 4.51,28 4.195,29 3.792,30 5.838,31 3.775,32 4.291,33 4.41,34 4.052,35 3.564,36 5.916,37 3.594,38 4.098,39 4.213,40 3.863,41 3.475,42 5.529,43 3.468,44 3.992,45 4.101,46 3.908,47 3.374,48 5.662,49 3.346,50 3.814,51 3.983,52 3.467,53 3.155,54 5.053,55 3.071,56 0.186,57 0.418,58 1.199,59 2.484,60 26.173,61 1.981,62 0.315,63 0.66,64 1.028,65 4.024,66 47.422,67 3.681,68 0.438,69 0.839,70 10.57,71 5.872,72 57.067,73 5.197,74 0.553,75 0.882,76 15.864,77 6.619,78 75.668,79 5.491,80 0.688,81 0.795,82 14.494,83 5.701,84 97.698,85 4.515,86 0.421,87 0.624,88 11.137,89 4.857,90 65.616,91 4.059,92 0.5,93 0.556,94 6.176,95 4.394,96 83.072,97 3.624,98 0.298,99 0.472,100 6.668,101 4.129,102 47.583,103 4.344,104 27,105 41,106 0.319,107 0.68,108 0.802,109 0.897,110 0.908,111 0.908,112 3.23,113 0.863,114 -3.63,115 -3.6,116 -3.43,117 1,119 51.5,133 6,134 4,135 2,143 1,144 1,146 2,147 1,156 1,158 1,159 8,160 1,162 5,164 1,165 1,166 4,168 8,169 2,171 1,172 7,176 6,178 7,179 1,182 6,183 1,185 2,187 3,190 6,191 1,193 1,194 4,197 3,199 6,202 5,206 3,207 1,211 4,213 5,214 1,216 1,217 3,220 1,222 5,224 6,225 1,229 1,234 1,235 2,237 6,238 1,242 1,245 2,246 2,247 1,250 4,251 1,255 740,256 15.93,257 15.93,258 15.93,259 15.93,260 15.93,261 13.634,262 14.126,263 8.931,264 16.187,265 13.279,266 13.279,267 13.279,268 13.279,269 13.279,270 9.647,271 16.619,272 4.188,273 13.773,274 3.273,275 1.266,276 0.591,277 0.061,280 3.921,283 1,284 1,285 450,286 2.828,288 86.044,289 112.499,291 166.77,295 1.368,296 38.549,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.75,307 206,308 4.772,309 3.759,310 7.068,311 4.352,312 3.371,313 4.696,314 1.437,315 12.169,316 3.312,317 4.488,318 3.572,319 6.617,320 4.058,321 3.079,322 4.184,323 0.6,324 10.517,325 3.008,326 4.065,327 3.317,328 6.074,329 3.685,330 2.692,331 3.546,333 8.603,334 2.666,335 3.808,336 2.825,337 5.875,338 3.373,339 2.435,340 3.24,342 7.929,343 2.249,344 3.331,345 2.636,346 5.282,347 2.89,348 1.914,349 2.592,351 5.919,352 1.849,353 3.226,354 2.17,355 4.966,356 2.734,357 1.791,358 2.511,360 5.281,361 1.667,362 3.118,363 2.031,364 4.801,365 2.619,366 1.665,367 2.272,369 4.959,370 1.542,371 2.866,372 1.768,373 4.22,374 2.367,375 1.389,376 2.024,378 3.536,379 1.347,380 2.737,381 1.454,382 3.797,383 2.225,384 1.231,385 1.748,386 2.922,387 1.202,388 2.439,389 1.366,390 3.685,391 1.89,392 0.895,393 1.298,394 2.32,395 0.859,396 2.171,397 0.986,398 3.423,399 1.554,400 0.62,401 0.926,402 1.651,403 0.546,404 1.251,405 0.469,406 2.765,407 0.808,408 -0.086,409 -0.107,411 -0.21,412 -0.061,413 1.09,414 0.36,415 2.435,416 0.569,417 -0.413,418 -0.581,420 -0.995,421 -0.352,422 0.805,423 0.142,424 2.343,425 0.371,426 -0.595,427 -0.787,429 -1.519,430 -0.534,431 0.638,432 -0.188,433 2.277,434 0.171,435 -0.746,436 -0.919,438 -2,439 -0.668,440 11.967,441 0.499,442 0.789,443 0.033,444 35,445 1.458,446 19.5,447 0.813,448 15.5,449 0.646,450 17.513,451 0.73,452 23.433,453 0.71,454 25.203,455 1.05,456 6.79,457 0.283,458 4.68,459 0.195,460 0.223,462 0.46,466 0.839,467 0.874,468 0.465,469 0.571,470 0.768,471 0.58,472 0.49,473 1.068,474 0.548,475 0.751,476 0.481,477 0.778,478 0.84,479 1.143,480 0.898,481 0.998,482 0.792,483 0.957,484 1.109,485 1.1,486 1.154,487 1.076,488 1.063,489 1.072,490 1.15,491 0.921,492 0.806,493 0.909,494 1.199,495 0.905,496 1.196,497 1.052,498 0.945,499 1.04,500 1.227,501 1.044,502 0.877,503 0.963,504 0.942,505 1.007,506 0.837,507 1.085,508 0.889,509 0.982,510 0.787,511 0.953,512 0.914,513 1.143,514 5,515 0.07,516 3.556,517 2.931,518 1.797,519 1.094,520 0.599,521 0.323,522 0.22,523 0.144,524 5781,525 22521,526 2.085,527 27.3,529 6,532 3,536 1.673,537 1.895,538 3.101,539 1.039,541 1,545 58.449,546 1.771,547 3.779,548 4.453,549 4.984,550 5.044,551 5.044,552 2.542,553 4.335,554 4.556,555 3.232,556 892.02,557 7.885,558 9919.48,559 1,560 1,562 1,563 166.465,564 1.516,565 4.49,566 0.185,567 0.012,568 0.087,569 0.068,570 0.046,571 0.032,572 0.021,573 0.013,574 0.014,575 0.01,576 0.489,577 0.5,578 1,579 0.854,580 111.184,581 -0.162,582 0.109,583 -0.017,584 0.139,585 -0.151,586 0.121,587 0.138,588 -0.092,589 0.003,590 -0.009,591 0.114,592 -0.042,593 -0.053,594 -0.152,595 -0.029,596 -0.108,597 -0.028,598 -0.074,599 -0.165,600 -0.096,601 -0.108,602 -0.104,603 -0.131,604 -0.135,605 0.017,606 0.127,607 -0.016,608 0.01,609 -0.014,610 0.024,611 -0.209,612 -0.096,613 -0.055,614 -0.093,615 -0.195,616 -0.083,617 0.152,618 -0.012,619 0.04,620 -0.026,621 0.22,622 -0.115,623 -0.054,624 -0.081,625 0.068,626 0.055,627 -0.084,628 0.038,629 2.757,630 5.642,631 0.75,632 17.222,633 1.039,634 1.101,635 2.397,636 5.744,637 0.764,638 3.332,639 3.738,640 4.094,641 4.431,642 4.682,643 4.844,644 5.037,645 5.165,646 5.198,647 5.263,648 5.205,649 0.759,650 385.18,651 3.332,652 4.92,653 5.82,654 6.746,655 7.667,656 8.599,657 9.527,658 10.461,659 11.394,660 12.329,661 6.1,669 1,670 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,689 1,696 1,698 1,699 33,700 19,701 2,702 27,703 1,704 36,705 17,706 14,707 6,708 6,709 3,710 4,711 6,721 17,724 3,728 2,730 1,731 3,732 1,733 1,736 9,737 5,738 3,739 7,740 1,743 2,747 0.5,748 4,756 1,759 2,760 2,762 2,775 1,777 2,780 1,785 24,788 2,800 1,801 12.1,803 2,804 2,808 12.667,809 6.076,810 5.083,811 1.84,812 3.831,813 1.503,814 1.005,815 3.337,816 11.45,817 3.664,818 4.366,819 5.07,820 5.74,821 6.314,822 6.742,823 7.233,824 7.666,825 7.951,826 8.355,827 0.833,828 43,829 8.898,831 4.092,832 8.191,833 16.148,835 13.746,837 2.691,838 64.583,842 70.627,843 85.743,844 79.525,846 135.657,849 131.697,850 206.283,851 33.571,854 56.857,855 144.457,856 51.513,857 2.144,858 70.627,859 45.954,860 70.627,861 119.314,862 135.657,864 45.954,865 70.627,866 135.657,869 33.571,870 85.743,872 45.954,873 70.627,874 169.228,875 131.697,878 70.627,879 28.886,880 56.857,881 62.74,882 152.442,883 70.627,884 169.228,885 131.697,887 0.605,888 0.37,889 0.204,890 0.113,891 23,892 11,893 0.056,894 2,895 2,896 1.222,897 3.455,898 214.068,899 0.222,900 18,901 110.039,904 15.12,905 5.296,906 2.223,907 1.308,908 152.442,909 9.535,911 2.831,914 1.563,916 102.152,917 371.552,918 38,922 23.718,924 4.267,925 -1.347,926 34.276,927 36.337,928 0.351,929 0.749,930 0.883,931 0.988,932 1,933 1,934 4.934,935 1.389,936 5.855,937 4.959,938 4.419,939 5.053,940 1.766,941 6.765,942 4.354,943 6.205,944 1.231,945 7.482,946 3.536,947 4.205,948 5.066,950 7.842,951 4.099,952 7.561,953 0.895,954 9.206,955 2.922,956 6.111,957 7.387,958 2.28,959 11,960 6.009,961 8.955,962 0.62,963 10.987,964 2.32,965 6.698,966 8.219,968 12.902,969 6.567,970 10.381,971 -0.086,972 12.802,973 1.651,974 8.128,975 10.045,976 2.927,977 15.595,978 7.994,979 11.831,980 -0.413,981 14.641,982 -0.21,983 9.061,984 11.253,986 17.833,987 8.905,988 13.3,989 -0.595,990 16.499,991 -0.995,992 10.323,993 12.889,994 3.62,995 20.376,996 10.159,997 3.371,998 -0.746,999 18.371,1000 -1.519,1001 11.403,1002 14.27,1004 22.754,1005 11.219,1006 3.079,1007 12.169,1008 20.253,1009 -2,1010 12.61,1011 15.833,1012 4.33,1013 25.25,1014 12.413,1015 2.692,1016 10.517,1017 22.145,1018 4.696,1019 13.752,1020 17.293,1022 27.687,1023 13.538,1024 2.435,1025 8.603,1026 24.044,1027 4.184,1028 14.944,1029 18.831,1030 5.047,1031 30.171,1032 14.714,1033 1.914,1034 7.929,1035 25.95,1036 3.546,1037 16.114,1038 20.329,1040 32.634,1041 15.867,1042 1.791,1043 5.919,1044 27.861,1045 3.24,1046 17.304,1047 21.86,1048 5.769,1049 35.117,1050 17.04,1051 1.665,1052 5.281,1053 29.777,1054 2.592,1055 18.488,1056 23.376,1058 37.594,1059 18.207,1060 5576,1061 11088,1062 17.63,1063 25.227,1064 43.078,1065 44.476,1066 44.802,1067 42.392,1068 42.162,1069 58.073,1070 4.073,1071 131.613,1072 40.493,1073 5.618,1074 5.759,1075 6.595,1076 5.392,1077 5.371,1078 7.696,1079 2.873,1080 19.908,1081 5.312,1082 13.502,1083 1.595,1084 1.647,1085 1.659,1086 1.57,1087 1.562,1088 2.151,1089 0.151,1090 4.875,1091 1.5,1092 4.156,1093 4.178,1094 6.881,1095 4.082,1096 7.475,1097 4.087,1098 3.969,1099 3.986,1100 4.1,1101 3.9,1102 7.428,1103 3.904,1104 3.532,1105 3.54,1106 3.915,1107 3.414,1108 6.473,1109 3.422,1110 3.37,1111 3.397,1112 3.482,1113 3.178,1114 6.351,1115 3.206,1116 3.085,1117 3.104,1118 3.276,1119 2.939,1120 4.911,1121 2.907,1122 2.912,1123 2.94,1124 3.009,1125 2.814,1126 4.747,1127 2.807,1128 2.851,1129 2.874,1130 2.776,1131 2.618,1132 4.267,1133 2.661,1134 2.606,1135 2.632,1136 2.643,1137 2.34,1138 4.107,1139 2.359,1140 0.177,1141 0.139,1142 0.262,1143 0.161,1144 0.125,1145 4.772,1146 0.174,1147 3.759,1148 0.053,1149 7.068,1150 0.451,1151 4.352,1152 0.123,1153 3.371,1154 4.696,1155 1.437,1156 12.169,1157 3.312,1158 1.931,1159 1.915,1160 1.979,1161 1.99,1162 1.161,1163 1.998,1164 1.887,1165 1.873,1166 1.963,1167 1.967,1168 1.087,1169 1.965,1170 1.576,1171 1.555,1172 1.613,1173 1.77,1174 0.714,1175 1.727,1176 1.218,1177 1.207,1178 1.327,1179 1.475,1180 0.339,1181 1.422,1182 1.092,1183 1.066,1184 1.193,1185 1.384,1186 0.241,1187 1.316,1188 0.908,1189 0.871,1190 1.093,1191 1.079,1192 0.146,1193 1.08,1194 0.797,1195 0.763,1196 0.982,1197 1.022,1198 0.05,1199 1.017,1200 0.725,1201 0.703,1202 0.874,1203 0.906,1205 0.929,1206 4.007,1208 5.389,1209 3.045,1210 6.963,1211 5.533,1212 8.625,1213 7.735,1214 10.335,1215 3.389,1221 19.32,1231 25.034,1232 58.449,1233 124.691,1234 146.955,1235 164.465,1236 166.465,1237 166.465,1238 49.959,1239 7.62,1240 103.28,1241 103.28,1242 22,1243 12.828,1244 4.322,1245 3.585,1246 33.725,1247 74,1248 75,1249 0.23,1250 156.48,1251 270.56,1252 373.571,1253 19347,1254 3,1255 17.008,1256 0.709,1257 0.566,1258 18.008,1259 13.586,1260 11.469,1261 0.425,1262 0.288,1263 6.932,1264 10.54,1265 6.78,1266 5.538,1267 12.047,1268 7.767,1269 11.026,1270 0.269,1271 0.151,1272 11.768,1273 6.192,1274 9.718,1275 0.165,1276 0.078,1277 10.435,1278 4.597,1279 8.44,1280 0.102,1281 0.04,1282 9.028,1283 3.29,1284 6.93,1285 0.065,1286 0.021,1287 7.487,1288 2.214,1289 0.347,1290 80.313,1291 0.238,1292 22.743,1293 0.676,1294 136,1295 458.403,1296 214.725,1297 479.704,1298 636.73,1299 442,1300 168,1301 439.137,1302 215.384,1303 457.176,1304 681.07,1305 431,1306 5.886} {0 CHEMBL2321946,1 1.883,2 9.407,3 3.824,4 14.626,5 87.512,6 10.397,7 0.533,8 3.774,9 3.837,10 3.571,11 3.337,12 5.183,13 3.401,14 4.274,15 4.347,16 4.09,17 3.749,18 6.195,19 3.814,20 4.453,21 4.556,22 4.111,23 3.837,24 5.992,25 3.9,26 4.586,27 4.714,28 4.157,29 3.794,30 6.223,31 3.881,32 4.541,33 4.675,34 4.076,35 3.626,36 6.28,37 3.753,38 4.303,39 4.422,40 3.836,41 3.484,42 6.112,43 3.565,44 4.207,45 4.337,46 3.729,47 3.378,48 6.011,49 3.451,50 4.086,51 4.226,52 3.599,53 3.192,54 5.988,55 3.268,56 0.394,57 0.728,58 2.638,59 3.131,60 72.985,61 2.165,62 1.015,63 1.548,64 4.949,65 5.266,66 183.494,67 3.951,68 0.851,69 1.326,70 7.442,71 6.338,72 139.019,73 5.303,74 1.226,75 1.564,76 11.307,77 6.968,78 193.536,79 5.468,80 1.389,81 1.462,82 13.673,83 6.729,84 238.349,85 4.873,86 1.164,87 1.026,88 9.877,89 5.477,90 210.628,91 4.166,92 0.964,93 1.042,94 8.565,95 4.805,96 164.019,97 3.823,98 0.955,99 0.905,100 8.893,101 4.768,102 188.454,103 4.38,104 54,105 47,106 0.334,107 0.687,108 0.797,109 0.883,110 0.893,111 0.893,112 3.341,113 0.76,114 -3.86,115 -3.82,116 -3.62,119 50,127 1,133 6,134 5,135 1,143 1,144 1,146 2,147 1,156 1,158 1,159 9,160 1,162 5,164 1,165 1,166 5,168 9,169 2,171 1,172 7,176 5,178 7,179 1,182 6,183 1,185 2,187 4,190 4,191 1,193 1,194 5,197 3,199 5,202 5,206 3,207 1,211 4,213 6,214 1,216 1,217 2,220 1,222 5,224 7,225 1,229 1,234 1,235 2,237 6,238 1,242 1,245 2,246 2,247 1,250 2,251 2,255 1025,256 17.403,257 17.403,258 17.403,259 17.403,260 17.403,261 15.197,262 16.937,263 9.625,264 17.775,265 14.774,266 14.774,267 14.774,268 14.774,269 14.774,270 11.197,271 20.097,272 4.519,273 15.461,274 3.287,275 1.292,276 0.674,277 0.188,278 0.132,279 0.132,280 4.027,283 1,284 1,285 545,286 3.742,288 99.671,289 131.417,291 194.035,295 1.49,296 67.108,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 63.5,307 254,308 4.812,309 4.471,310 7.322,311 4.41,312 3.467,313 4.721,314 3.825,315 12.729,316 3.338,317 4.553,318 3.757,319 6.988,320 4.21,321 3.268,322 4.195,323 1.437,324 11.707,325 3.101,326 4.272,327 3.572,328 6.543,329 3.922,330 2.976,331 3.676,332 0.6,333 10.22,334 2.775,335 4.009,336 3.21,337 5.958,338 3.649,339 2.653,340 3.394,342 8.295,343 2.602,344 3.57,345 2.64,346 5.771,347 3.161,348 2.214,349 2.845,351 7.534,352 2.066,353 3.31,354 2.465,355 5.221,356 2.864,357 1.899,358 2.591,360 5.748,361 1.82,362 3.156,363 2.155,364 4.894,365 2.696,366 1.727,367 2.324,369 5.151,370 1.653,371 3.015,372 1.838,373 4.771,374 2.508,375 1.551,376 2.179,378 4.795,379 1.463,380 2.836,381 1.701,382 4.185,383 2.349,384 1.37,385 1.984,386 3.39,387 1.333,388 2.728,389 1.426,390 3.797,391 2.213,392 1.216,393 1.729,394 2.919,395 1.194,396 2.418,397 1.35,398 3.686,399 1.861,400 0.844,401 1.244,402 2.229,403 0.847,404 2.069,405 0.773,406 3.435,407 1.505,408 0.548,409 0.81,411 1.543,412 0.521,413 1.187,414 0.51,415 2.916,416 0.773,417 -0.191,418 -0.24,420 -0.5,421 -0.179,422 1.013,423 0.51,424 2.617,425 0.536,426 -0.473,427 -0.685,429 -1.167,430 -0.475,431 0.774,432 0.466,433 2.423,434 0.355,435 -0.638,436 -0.828,438 -1.774,439 -0.627,440 11.99,441 0.444,442 1.077,443 0.04,444 37.25,445 1.38,446 19.5,447 0.722,448 17.75,449 0.657,450 19.26,451 0.713,452 28.81,453 0.8,454 33.006,455 1.222,456 7.667,457 0.284,458 5.013,459 0.186,460 0.183,461 0.042,462 0.459,463 3,466 0.708,467 0.787,468 0.581,469 0.768,470 0.712,471 0.66,472 0.41,473 0.699,474 0.502,475 0.864,476 0.414,477 0.834,478 0.703,479 0.911,480 0.728,481 1.077,482 0.669,483 1.014,484 0.978,485 0.935,486 1.019,487 1.05,488 0.998,489 1.067,490 1.305,491 1.123,492 1.167,493 0.969,494 1.294,495 0.93,496 0.973,497 0.877,498 1.087,499 0.964,500 0.982,501 1.041,502 0.945,503 0.829,504 1.127,505 0.979,506 0.96,507 1.103,508 0.841,509 1.121,510 0.916,511 1.155,512 0.851,513 1.157,514 7,515 0.147,516 4.222,517 3.556,518 2.004,519 1.744,520 0.721,521 0.46,522 0.413,523 0.195,524 7722,525 35004,526 2.022,527 25,529 6,532 3,536 1.705,537 1.81,538 3.211,539 1.018,541 1,545 67.774,546 1.883,547 3.877,548 4.496,549 4.982,550 5.038,551 5.038,552 2.672,553 4.505,554 4.726,555 3.368,556 1182.12,557 8.226,558 14322.3,560 1,561 1,562 1,563 186.117,564 1.729,565 4.635,566 0.233,567 0.012,568 0.09,569 0.073,570 0.042,571 0.041,572 0.021,573 0.015,574 0.017,575 0.01,576 0.553,577 0.5,578 1,579 0.959,580 130.663,581 -0.107,582 0.026,583 -0.06,584 0.148,585 -0.132,586 0.13,587 0.352,588 0.303,589 0.108,590 0.079,591 0.333,592 -0.038,593 -0.048,594 -0.15,595 0.023,596 -0.157,597 -0.018,598 -0.084,599 -0.108,600 -0.02,601 -0.107,602 -0.117,603 -0.135,604 -0.123,605 -0.245,606 -0.107,607 -0.128,608 -0.007,609 -0.234,610 0.035,611 -0.019,612 0.008,613 -0.109,614 0.003,615 -0.021,616 -0.058,617 0.005,618 0.112,619 -0.145,620 -0.022,621 -0.013,622 -0.126,623 0.164,624 -0.173,625 0.219,626 -0.137,627 0.175,628 -0.042,629 5.908,630 5.629,631 0.667,632 21.514,633 1.069,634 1.137,635 2.626,636 6.898,637 0.707,638 3.434,639 3.871,640 4.19,641 4.533,642 4.787,643 4.977,644 5.198,645 5.308,646 5.394,647 5.497,648 5.681,649 0.741,650 374.29,651 3.434,652 5.043,653 5.938,654 6.878,655 7.796,656 8.739,657 9.666,658 10.61,659 11.542,660 12.486,661 5.6,669 1,670 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,689 1,696 1,699 36,700 19,701 2,702 30,704 39,705 18,706 14,707 6,708 6,709 3,710 4,711 6,715 1,718 1,721 17,722 1,724 3,728 2,730 1,731 3,733 1,734 3,736 9,737 8,738 3,739 9,743 2,747 0.5,748 4,756 1,759 2,760 2,762 2,775 1,777 2,783 3,785 27,788 2,795 1,800 3,801 11.1,803 2,804 2,808 14.917,809 6.612,810 5.583,811 1.974,812 3.88,813 1.492,814 0.996,815 3.654,816 11.771,817 3.738,818 4.44,819 5.125,820 5.803,821 6.385,822 6.833,823 7.352,824 7.765,825 8.09,826 8.51,827 1,828 49,829 10.656,831 5.532,832 8.725,833 17.501,835 14.92,837 3.225,838 87.083,842 70.627,843 93.633,844 33.571,846 135.657,847 44.88,849 93.633,850 206.283,851 78.451,854 56.857,855 144.457,856 96.523,857 2.144,858 70.627,859 7.76,860 70.627,861 127.204,862 180.537,865 70.627,866 180.537,869 41.331,870 85.874,873 115.507,874 169.228,875 93.633,878 78.386,879 29.016,880 56.857,881 16.786,882 197.322,883 70.627,884 214.108,885 93.633,887 0.615,888 0.361,889 0.195,890 0.109,891 26,892 13,893 0.051,894 2,895 2,896 1.222,897 3.61,898 252.845,899 0.222,900 18,901 123.627,904 17.317,905 5.697,906 2.61,907 -0.379,908 197.322,909 7.054,911 2.264,914 -1.673,916 102.152,917 378.368,918 41,922 23.697,924 4.064,925 -2.079,926 38.469,927 40.929,928 0.364,929 0.75,930 0.87,931 0.964,932 0.974,933 0.974,934 5.037,935 1.551,936 6.014,937 5.151,938 4.554,939 5.127,940 3.246,941 6.959,942 4.474,943 6.324,944 1.37,945 7.669,946 4.795,947 4.511,948 5.207,949 3.903,950 8.225,951 4.322,952 7.696,953 1.216,954 9.429,955 3.39,956 6.326,957 7.459,958 5.458,959 11.324,960 6.162,961 9.104,962 0.844,963 11.248,964 2.919,965 7.04,966 8.321,967 6.69,968 13.356,969 6.778,970 10.543,971 0.548,972 13.104,973 2.229,974 8.435,975 10.118,976 8.063,977 16.047,978 8.174,979 12.003,980 -0.191,981 14.984,982 1.543,983 9.448,984 11.337,985 9.388,986 18.369,987 9.113,988 13.482,989 -0.473,990 16.882,991 -0.5,992 10.71,993 12.961,994 10.735,995 20.935,996 10.354,997 3.467,998 -0.638,999 18.794,1000 -1.167,1001 11.841,1002 14.348,1003 12.074,1004 23.37,1005 11.428,1006 3.268,1007 12.729,1008 20.717,1009 -1.774,1010 13.062,1011 15.906,1012 13.417,1013 25.898,1014 12.618,1015 2.976,1016 11.707,1017 22.648,1018 4.721,1019 14.241,1020 17.37,1021 14.758,1022 28.381,1023 13.749,1024 2.653,1025 10.22,1026 24.586,1027 4.195,1028 15.453,1029 18.908,1030 16.1,1031 30.9,1032 14.926,1033 2.214,1034 8.295,1035 26.53,1036 3.676,1037 16.653,1038 20.409,1039 17.441,1040 33.404,1041 16.083,1042 1.899,1043 7.534,1044 28.479,1045 3.394,1046 17.866,1047 21.941,1048 18.783,1049 35.923,1050 17.259,1051 1.727,1052 5.748,1053 30.431,1054 2.845,1055 19.076,1056 23.461,1057 20.124,1058 38.438,1059 18.429,1060 7544,1061 16161,1062 19.016,1063 25.449,1064 48.698,1065 48.658,1066 49.941,1067 47.737,1068 47.468,1069 63.383,1070 11.724,1071 152.524,1072 45.425,1073 5.659,1074 6.471,1075 6.826,1076 5.45,1077 5.467,1078 7.721,1079 5.335,1080 20.717,1081 5.338,1082 17.37,1083 1.623,1084 1.622,1085 1.665,1086 1.591,1087 1.582,1088 2.113,1089 0.391,1090 5.084,1091 1.514,1092 4.167,1093 4.191,1094 4.148,1095 4.079,1096 8.513,1097 4.092,1098 3.975,1099 3.992,1100 3.947,1101 3.899,1102 7.999,1103 3.906,1104 3.57,1105 3.588,1106 3.559,1107 3.42,1108 7.999,1109 3.443,1110 3.409,1111 3.421,1112 3.405,1113 3.183,1114 7.475,1115 3.222,1116 3.277,1117 3.329,1118 3.222,1119 3.023,1120 7.428,1121 3.063,1122 3.07,1123 3.089,1124 3.006,1125 2.825,1126 6.473,1127 2.854,1128 2.851,1129 2.878,1130 2.775,1131 2.624,1132 6.351,1133 2.666,1134 2.69,1135 2.748,1136 2.614,1137 2.413,1138 4.888,1139 2.462,1140 0.16,1141 0.149,1142 0.244,1143 0.147,1144 0.116,1145 4.812,1146 0.157,1147 4.471,1148 0.128,1149 7.322,1150 0.424,1151 4.41,1152 0.111,1153 3.467,1154 4.721,1155 3.825,1156 12.729,1157 3.338,1158 1.95,1159 1.932,1160 2.016,1161 2.036,1162 1.184,1163 2.028,1164 1.887,1165 1.873,1166 1.963,1167 1.968,1168 1.087,1169 1.965,1170 1.586,1171 1.566,1172 1.626,1173 1.776,1174 0.731,1175 1.733,1176 1.222,1177 1.211,1178 1.331,1179 1.476,1180 0.346,1181 1.422,1182 1.092,1183 1.069,1184 1.193,1185 1.424,1186 0.244,1187 1.319,1188 1.031,1189 0.991,1190 1.119,1191 1.38,1192 0.146,1193 1.302,1194 0.895,1195 0.858,1196 1.086,1197 1.078,1198 0.139,1199 1.077,1200 0.787,1201 0.759,1202 0.948,1203 1.022,1205 1.015,1206 4.111,1208 5.517,1209 3.045,1210 7.106,1211 5.533,1212 8.778,1213 7.735,1214 10.497,1218 39.58,1221 19.214,1228 -4.658,1231 26.686,1232 67.774,1233 139.588,1234 161.853,1235 179.362,1236 181.362,1237 181.362,1238 79.773,1239 7.89,1240 103.28,1241 103.28,1242 22,1243 12.981,1244 4.322,1245 3.585,1246 40.054,1247 91,1248 94,1249 0.222,1250 157.753,1251 286.79,1252 376.678,1253 26928,1254 8.3,1255 19.508,1256 0.723,1257 0.491,1258 17.008,1259 13.256,1260 12.681,1261 0.423,1262 0.253,1263 7.436,1264 11.994,1265 7.387,1266 5.998,1267 11.469,1268 7.602,1269 13.021,1270 0.277,1271 0.126,1272 11.026,1273 5.901,1274 10.472,1275 0.161,1276 0.066,1277 9.718,1278 4.293,1279 9.222,1280 0.1,1281 0.034,1282 8.44,1283 3.097,1284 7.533,1285 0.063,1286 0.017,1287 6.93,1288 2.071,1289 0.337,1290 81.459,1291 0.229,1292 25.174,1293 0.646,1294 154,1295 716.082,1296 183.871,1297 606.047,1298 785.35,1299 556,1300 189,1301 549.404,1302 212.002,1303 535.289,1304 815.89,1305 503,1306 5} {0 CHEMBL2321947,1 1.726,2 8.478,3 3.422,4 11.707,5 89.219,6 10.918,7 0.615,8 3.687,9 3.761,10 3.564,11 3.34,12 4.947,13 3.337,14 4.153,15 4.243,16 4.027,17 3.768,18 5.419,19 3.749,20 4.376,21 4.5,22 4.211,23 3.859,24 5.696,25 3.828,26 4.422,27 4.567,28 4.154,29 3.816,30 5.738,31 3.769,32 4.309,33 4.444,34 4.026,35 3.596,36 5.822,37 3.602,38 4.188,39 4.321,40 3.835,41 3.493,42 5.689,43 3.46,44 3.963,45 4.103,46 3.811,47 3.371,48 5.278,49 3.307,50 3.811,51 4,52 3.388,53 3.174,54 4.874,55 3.045,56 0.127,57 0.439,58 2.391,59 2.711,60 17.256,61 2.531,62 0.209,63 0.709,64 4.408,65 4.608,66 24.862,67 4.68,68 0.308,69 0.882,70 14.077,71 6.382,72 33.262,73 6.528,74 0.407,75 0.928,76 20.368,77 7.232,78 47.491,79 7.101,80 0.5,81 0.807,82 16.758,83 6.108,84 67.938,85 5.634,86 0.517,87 0.699,88 14.303,89 5.37,90 79.94,91 4.629,92 0.29,93 0.566,94 8.733,95 4.442,96 34.534,97 3.993,98 0.182,99 0.482,100 7.819,101 4.263,102 25.753,103 4.881,104 18,105 39,106 0.311,107 0.72,108 0.823,109 0.905,110 0.905,111 0.905,112 3.19,113 0.895,114 -3.66,115 -3.63,116 -3.46,117 1,119 50,124 1,133 6,134 4,135 2,143 1,144 1,146 2,159 8,162 4,165 1,166 4,168 8,171 1,172 5,176 6,178 7,182 5,185 2,187 4,190 6,194 3,197 2,199 5,202 5,206 3,209 2,211 4,213 5,217 2,222 5,224 6,234 1,237 6,246 2,247 1,250 4,255 650,256 15.593,257 15.593,258 15.593,259 15.593,260 15.593,261 13.441,262 16.565,263 8.793,264 15.865,265 12.738,266 12.738,267 12.738,268 12.738,269 12.738,270 9.306,271 20.362,272 4.066,273 13.272,274 3.362,275 1.089,276 0.515,277 0.059,278 0.059,279 0.059,280 3.884,283 1,284 1,285 429,286 2.449,288 80.051,289 105.809,291 156.228,295 1.327,296 31.228,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 49.75,307 195,308 4.771,309 3.757,310 7.068,311 4.352,312 3.371,313 4.696,314 0.765,315 12.17,316 3.312,317 4.48,318 3.319,319 6.617,320 4.049,321 3.071,322 4.169,323 0.6,324 10.519,325 2.998,326 3.939,327 2.843,328 6.047,329 3.506,330 2.55,331 3.448,333 8.466,334 2.442,335 3.655,336 2.79,337 5.395,338 3.253,339 2.295,340 3.041,342 6.739,343 2.158,344 3.283,345 2.493,346 5.163,347 2.897,348 1.914,349 2.561,351 5.894,352 1.87,353 3.231,354 2.081,355 4.966,356 2.738,357 1.799,358 2.486,360 5.282,361 1.666,362 3.081,363 2.007,364 4.796,365 2.565,366 1.618,367 2.237,369 4.896,370 1.479,371 2.847,372 1.439,373 4.212,374 2.348,375 1.372,376 1.99,378 3.49,379 1.333,380 2.428,381 1.322,382 3.682,383 1.885,384 0.885,385 1.294,386 2.304,387 0.861,388 2.201,389 1.137,390 3.43,391 1.66,392 0.742,393 1.016,394 1.802,395 0.649,396 1.675,397 0.969,398 2.908,399 1.348,400 0.439,401 0.526,402 0.738,403 0.385,404 1.228,405 0.404,406 2.673,407 0.801,408 -0.082,409 -0.101,411 -0.187,412 -0.059,413 1.028,414 0.153,415 2.428,416 0.555,417 -0.389,418 -0.525,420 -0.854,421 -0.324,422 0.721,423 -0.192,424 2.35,425 0.249,426 -0.664,427 -0.836,429 -1.585,430 -0.539,431 0.628,432 -0.476,433 2.277,434 0.172,435 -0.819,436 -1.155,438 -2.401,439 -0.815,440 11.633,441 0.506,442 0.661,443 0.029,444 32.75,445 1.424,446 18,447 0.783,448 14.75,449 0.641,450 17.355,451 0.755,452 22.567,453 0.664,454 22.37,455 0.973,456 6.296,457 0.274,458 4.8,459 0.209,460 0.201,462 0.43,466 0.879,467 0.9,468 0.469,469 0.599,470 0.834,471 0.627,472 0.691,473 1.048,474 0.551,475 0.733,476 0.694,477 0.772,478 0.79,479 1.148,480 0.869,481 0.992,482 0.759,483 0.937,484 1.028,485 1.03,486 1.095,487 1.025,488 1.003,489 0.993,490 1.181,491 1.077,492 0.769,493 0.993,494 1.262,495 0.923,496 1.391,497 0.947,498 0.918,499 0.938,500 1.578,501 1.022,502 1.133,503 0.973,504 0.968,505 0.999,506 1.171,507 1.066,508 0.736,509 1.041,510 0.783,511 1.004,512 0.724,513 1.189,514 4.5,515 0.037,516 3.111,517 2.681,518 1.757,519 1.032,520 0.461,521 0.323,522 0.153,523 0.099,524 5156,525 17717,526 2.115,527 32.4,529 8,532 3,536 1.662,537 1.944,538 3.062,539 1.032,541 1,545 58.678,546 1.726,547 3.999,548 4.572,549 5.029,550 5.029,551 5.029,552 2.533,553 4.35,554 4.495,555 3.168,556 801.508,557 7.765,558 8596.19,559 1,560 1,561 1,562 1,563 172.974,564 1.491,565 4.44,566 0.173,567 0.009,568 0.08,569 0.065,570 0.047,571 0.031,572 0.018,573 0.015,574 0.011,575 0.01,576 0.46,577 0.5,578 1,579 0.832,580 104.594,581 -0.161,582 0.102,583 -0.014,584 0.13,585 -0.164,586 0.109,587 -0.015,588 -0.054,589 0.004,590 0.038,591 -0.058,592 0.016,593 0.01,594 -0.151,595 -0.008,596 -0.098,597 0.019,598 -0.047,599 -0.072,600 -0.027,601 -0.065,602 -0.054,603 -0.058,604 -0.046,605 0.057,606 -0.074,607 0.006,608 -0.089,609 0.072,610 -0.016,611 -0.104,612 0.044,613 -0.067,614 -0.005,615 -0.09,616 -0.114,617 -0.144,618 0.002,619 0.026,620 -0.032,621 -0.145,622 -0.121,623 -0.01,624 -0.142,625 0.053,626 -0.023,627 -0.038,628 -0.089,629 1.925,630 5.695,631 0.783,632 15.535,633 1.024,634 1.104,635 2.43,636 5.907,637 0.751,638 3.296,639 3.689,640 4.06,641 4.407,642 4.663,643 4.796,644 4.963,645 5.124,646 5.136,647 5.165,648 4.983,649 0.731,650 371.2,651 3.296,652 4.875,653 5.778,654 6.703,655 7.626,656 8.558,657 9.488,658 10.422,659 11.355,660 12.291,661 5.9,669 1,670 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,696 1,698 1,699 34,700 18,701 2,702 26,703 1,704 37,705 17,706 14,707 6,708 6,709 2,710 4,711 6,715 1,721 16,722 1,724 2,728 1,730 1,731 2,732 1,733 1,736 11,737 4,738 3,739 6,740 1,743 2,747 0.5,748 3,749 1,756 1,759 2,760 2,762 2,775 1,777 2,780 1,785 23,788 2,789 1,800 1,801 8.8,802 1,803 1,804 1,808 11.833,809 6.16,810 4.972,811 1.911,812 3.752,813 1.498,814 1.005,815 3.287,816 11.28,817 3.611,818 4.314,819 5.031,820 5.71,821 6.285,822 6.681,823 7.148,824 7.621,825 7.89,826 8.256,827 0.833,828 41,829 8.522,831 3.857,832 7.996,833 15.812,835 13.502,837 2.496,838 57.417,842 94.169,843 84.833,844 79.525,846 110.512,849 130.787,850 204.68,851 33.571,854 99.541,855 75.718,856 51.513,857 2.144,858 94.169,859 45.954,860 94.169,861 118.404,862 110.512,864 45.954,865 94.169,866 67.828,867 42.683,869 33.571,870 84.833,872 45.954,873 94.169,874 144.083,875 130.787,878 94.169,879 27.976,880 56.857,881 62.74,882 127.297,883 94.169,884 144.083,885 130.787,887 0.596,888 0.374,889 0.212,890 0.119,891 22,892 10,893 0.054,894 2,895 2,896 1.222,897 3.395,898 202.305,899 0.222,900 18,901 104.042,904 14.486,905 5.219,906 2.114,907 1.432,908 127.297,909 10.57,911 2.878,914 2.741,916 102.152,917 369.039,918 36,922 12.695,924 4.381,925 -0.052,926 34.833,927 37.542,928 0.339,929 0.786,930 0.899,931 0.988,932 0.988,933 0.988,934 4.875,935 1.372,936 5.802,937 4.896,938 4.369,939 5.001,940 1.061,941 6.711,942 4.297,943 6.138,944 0.885,945 7.424,946 3.49,947 4.111,948 4.987,950 7.781,951 3.999,952 7.492,953 0.742,954 9.144,955 2.304,956 6.057,957 7.342,958 0.664,959 10.95,960 5.943,961 8.886,962 0.439,963 10.922,964 1.802,965 6.621,966 8.162,968 12.857,969 6.48,970 10.313,971 -0.082,972 12.736,973 0.738,974 8.069,975 10.004,976 0.401,977 15.559,978 7.923,979 11.765,980 -0.389,981 14.576,982 -0.187,983 8.995,984 11.21,986 17.805,987 8.828,988 13.236,989 -0.664,990 16.435,991 -0.854,992 10.267,993 12.854,994 0.237,995 20.355,996 10.091,997 3.371,998 -0.819,999 18.309,1000 -1.585,1001 11.349,1002 14.237,1004 22.739,1005 11.154,1006 3.071,1007 12.17,1008 20.195,1009 -2.401,1010 12.562,1011 15.806,1012 0.139,1013 25.239,1014 12.355,1015 2.55,1016 10.519,1017 22.091,1018 4.696,1019 13.708,1020 17.269,1022 27.679,1023 13.484,1024 2.295,1025 8.466,1026 23.995,1027 4.169,1028 14.905,1029 18.81,1030 0.081,1031 30.166,1032 14.666,1033 1.914,1034 6.739,1035 25.905,1036 3.448,1037 16.079,1038 20.31,1040 32.631,1041 15.824,1042 1.799,1043 5.894,1044 27.821,1045 3.041,1046 17.273,1047 21.844,1048 0.047,1049 35.116,1050 17.002,1051 1.618,1052 5.282,1053 29.741,1054 2.561,1055 18.461,1056 23.361,1058 37.594,1059 18.173,1060 4951,1061 9263,1062 17.224,1063 25.534,1064 40.723,1065 42.125,1066 42.751,1067 40.3,1068 40.107,1069 54.926,1070 2.729,1071 124.598,1072 38.306,1073 5.619,1074 5.757,1075 6.615,1076 5.391,1077 5.371,1078 7.696,1079 1.529,1080 19.907,1081 5.312,1082 11.626,1083 1.566,1084 1.62,1085 1.644,1086 1.55,1087 1.543,1088 2.113,1089 0.105,1090 4.792,1091 1.473,1092 4.156,1093 4.178,1094 6.881,1095 4.082,1096 7.428,1097 4.087,1098 3.967,1099 3.988,1100 4.099,1101 3.901,1102 6.474,1103 3.902,1104 3.518,1105 3.544,1106 3.908,1107 3.414,1108 6.457,1109 3.414,1110 3.356,1111 3.398,1112 3.429,1113 3.17,1114 4.912,1115 3.188,1116 3.085,1117 3.126,1118 3.256,1119 2.937,1120 4.755,1121 2.902,1122 2.942,1123 2.971,1124 2.954,1125 2.875,1126 4.271,1127 2.855,1128 2.761,1129 2.818,1130 2.744,1131 2.557,1132 4.107,1133 2.561,1134 2.606,1135 2.632,1136 2.56,1137 2.338,1138 3.794,1139 2.357,1140 0.184,1141 0.145,1142 0.272,1143 0.167,1144 0.13,1145 4.771,1146 0.181,1147 3.757,1148 0.029,1149 7.068,1150 0.468,1151 4.352,1152 0.127,1153 3.371,1154 4.696,1155 0.765,1156 12.17,1157 3.312,1158 1.931,1159 1.915,1160 1.989,1161 1.99,1162 1.162,1163 1.998,1164 1.894,1165 1.875,1166 1.979,1167 1.973,1168 1.141,1169 1.979,1170 1.576,1171 1.554,1172 1.613,1173 1.77,1174 0.713,1175 1.727,1176 1.197,1177 1.17,1178 1.43,1179 1.454,1180 0.567,1181 1.441,1182 1.184,1183 1.132,1184 1.321,1185 1.445,1186 0.338,1187 1.406,1188 0.96,1189 0.921,1190 1.144,1191 1.116,1192 0.234,1193 1.123,1194 0.757,1195 0.721,1196 0.946,1197 0.922,1198 0.049,1199 0.941,1200 0.67,1201 0.625,1202 0.831,1203 0.904,1205 0.906,1206 3.97,1208 5.342,1209 3.045,1210 6.915,1211 5.533,1212 8.578,1213 7.735,1214 10.29,1215 3.42,1221 19.489,1222 -0.138,1231 24.846,1232 58.678,1233 135.954,1234 155.464,1235 170.974,1236 170.974,1237 170.974,1238 42.217,1239 7.528,1240 86.21,1241 86.21,1242 22,1243 12.79,1244 4.248,1245 3.459,1246 31.699,1247 68,1248 78,1249 0.237,1250 155.411,1251 264.41,1252 370.963,1253 17302,1254 2.9,1255 16.137,1256 0.702,1257 0.582,1258 17.137,1259 13.385,1260 11.097,1261 0.427,1262 0.298,1263 6.932,1264 10.227,1265 6.761,1266 5.53,1267 11.674,1268 7.759,1269 10.296,1270 0.264,1271 0.158,1272 11.038,1273 6.164,1274 9.427,1275 0.165,1276 0.081,1277 10.144,1278 4.596,1279 8.214,1280 0.101,1281 0.041,1282 8.802,1283 3.302,1284 6.888,1285 0.066,1286 0.021,1287 7.445,1288 2.252,1289 0.355,1290 77.629,1291 0.241,1292 21.866,1293 0.702,1294 130,1295 398.667,1296 205.736,1297 424.344,1298 569.85,1299 394,1300 161,1301 391.986,1302 206.391,1303 412.098,1304 616.16,1305 389,1306 5} {0 CHEMBL2321948,1 1.787,2 9.167,3 3.873,4 14.996,5 92.401,6 11.3,7 0.593,8 3.698,9 3.771,10 3.6,11 3.343,12 5.048,13 3.349,14 4.123,15 4.209,16 4.044,17 3.764,18 5.414,19 3.753,20 4.358,21 4.472,22 4.225,23 3.857,24 5.699,25 3.835,26 4.401,27 4.543,28 4.186,29 3.818,30 5.745,31 3.784,32 4.311,33 4.43,34 4.067,35 3.608,36 5.882,37 3.633,38 4.202,39 4.34,40 3.875,41 3.517,42 5.624,43 3.495,44 4.019,45 4.147,46 3.902,47 3.4,48 5.536,49 3.36,50 3.842,51 4.036,52 3.422,53 3.192,54 4.967,55 3.076,56 0.182,57 0.464,58 1.82,59 2.555,60 20.029,61 2.233,62 0.206,63 0.726,64 2.247,65 4.086,66 19.599,67 3.932,68 0.361,69 0.887,70 11.73,71 5.957,72 40.931,73 5.617,74 0.424,75 0.943,76 18.318,77 6.72,78 45.161,79 6.344,80 0.562,81 0.822,82 14.237,83 5.734,84 70.804,85 4.654,86 0.49,87 0.733,88 13.817,89 5.41,90 68.142,91 4.643,92 0.423,93 0.598,94 8.026,95 4.557,96 56.311,97 4.082,98 0.249,99 0.518,100 7.549,101 4.217,102 32.393,103 4.603,104 19,105 40,106 0.32,107 0.69,108 0.829,109 0.911,110 0.911,111 0.911,112 3.23,113 0.871,114 -3.63,115 -3.6,116 -3.43,117 1,119 50,133 6,134 4,135 2,143 1,144 1,145 1,146 2,157 1,159 8,162 5,165 1,166 3,168 8,171 1,172 7,176 5,178 7,182 7,185 2,187 4,190 6,194 3,197 2,199 7,202 5,205 2,206 3,211 4,213 5,217 3,220 2,222 4,224 6,229 1,234 1,237 6,242 1,245 2,247 1,250 4,255 752,256 16.301,257 16.301,258 16.301,259 16.301,260 16.301,261 13.803,262 14.515,263 9.399,264 16.615,265 13.276,266 13.276,267 13.276,268 13.276,269 13.276,270 9.569,271 16.147,272 4.361,273 13.823,274 3.3,275 1.233,276 0.456,280 3.924,283 1,284 1,285 482,286 2.646,288 86.375,289 112.921,291 167.372,295 1.514,296 30.205,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.25,307 220,308 4.771,309 3.757,310 7.068,311 4.352,312 3.371,313 4.696,314 1.697,315 12.17,316 3.312,317 4.481,318 3.623,319 6.617,320 4.05,321 3.071,322 4.174,323 0.6,324 10.52,325 2.999,326 3.956,327 3.318,328 6.048,329 3.514,330 2.555,331 3.468,333 8.47,334 2.457,335 3.703,336 2.828,337 5.404,338 3.27,339 2.312,340 3.106,342 6.846,343 2.174,344 3.318,345 2.685,346 5.182,347 2.906,348 1.922,349 2.577,351 5.922,352 1.877,353 3.232,354 2.342,355 4.966,356 2.738,357 1.799,358 2.518,360 5.282,361 1.666,362 3.093,363 2.054,364 4.798,365 2.569,366 1.622,367 2.245,369 4.906,370 1.483,371 2.851,372 1.967,373 4.212,374 2.349,375 1.373,376 1.996,378 3.493,379 1.334,380 2.686,381 1.436,382 3.683,383 2.061,384 1.103,385 1.594,386 2.305,387 1.053,388 2.423,389 1.32,390 3.433,391 1.878,392 0.883,393 1.287,394 2.029,395 0.85,396 2.185,397 1.039,398 3.2,399 1.59,400 0.657,401 0.959,402 1.586,403 0.58,404 1.319,405 0.82,406 2.751,407 0.957,413 1.139,414 0.377,415 2.433,416 0.668,417 -0.234,418 -0.298,420 -0.493,421 -0.188,422 0.765,423 0.134,424 2.368,425 0.411,426 -0.553,427 -0.696,429 -1.16,430 -0.449,431 0.705,432 -0.193,433 2.278,434 0.243,435 -0.72,436 -0.942,438 -1.65,439 -0.669,440 12.033,441 0.501,442 0.661,443 0.028,444 35,445 1.458,446 19.5,447 0.813,448 15.5,449 0.646,450 17.431,451 0.726,452 23.367,453 0.687,454 24.485,455 1.02,456 6.897,457 0.287,458 4.7,459 0.196,460 0.194,462 0.416,466 0.799,467 0.855,468 0.466,469 0.557,470 0.778,471 0.598,472 0.577,473 1.032,474 0.563,475 0.744,476 0.545,477 0.774,478 0.838,479 1.134,480 0.906,481 1.006,482 0.829,483 0.97,484 0.948,485 1.025,486 1.124,487 1.042,488 0.901,489 0.997,490 1.308,491 1.084,492 0.799,493 1.013,494 1.37,495 0.959,496 1.388,497 0.929,498 0.905,499 0.953,500 1.608,501 1.019,502 0.955,503 0.946,504 0.924,505 1.001,506 1.005,507 1.052,508 0.817,509 1.001,510 0.786,511 0.943,512 0.81,513 1.173,514 4.5,515 0.057,516 3.111,517 2.681,518 1.757,519 1.06,520 0.542,521 0.364,522 0.153,523 0.119,524 5869,525 21717,526 2.11,527 29.4,529 6,531 1,532 3,536 1.673,537 1.946,538 3.153,539 1.039,541 1,545 60.758,546 1.787,547 3.855,548 4.631,549 5.087,550 5.087,551 5.087,552 2.69,553 4.335,554 4.553,555 3.276,556 904.293,557 7.88,558 10054.7,560 1,562 1,563 172.974,564 1.483,565 4.504,566 0.167,567 0.007,568 0.078,569 0.064,570 0.045,571 0.03,572 0.019,573 0.015,574 0.01,575 0.01,576 0.445,577 0.5,578 1,579 1.004,580 111.481,581 -0.069,582 0.157,583 -0.014,584 0.164,585 -0.107,586 0.116,587 0.008,588 -0.028,589 -0.002,590 0.01,591 -0.012,592 -0.013,593 -0.035,594 -0.159,595 -0.029,596 -0.106,597 -0.039,598 -0.086,599 -0.066,600 -0.027,601 -0.071,602 -0.065,603 -0.026,604 -0.038,605 -0.044,606 -0.097,607 -0.025,608 -0.11,609 0.014,610 -0.073,611 -0.201,612 0.032,613 -0.054,614 -0.002,615 -0.241,616 -0.062,617 0.127,618 -0.01,619 0.05,620 -0.018,621 0.137,622 -0.084,623 -0.059,624 -0.092,625 0.053,626 0.053,627 -0.065,628 -0.024,629 1.95,630 5.758,631 0.75,632 18.056,633 1.031,634 1.107,635 2.397,636 5.744,637 0.758,638 3.332,639 3.714,640 4.078,641 4.431,642 4.682,643 4.82,644 5.004,645 5.165,646 5.187,647 5.242,648 5.3,649 0.745,650 384.2,651 3.332,652 4.905,653 5.802,654 6.725,655 7.644,656 8.575,657 9.503,658 10.437,659 11.369,660 12.304,661 8.8,669 1,670 2,674 2,675 6,677 1,680 6,682 16,684 1,685 1,686 1,696 1,698 1,699 34,700 19,701 2,702 27,703 1,704 37,705 17,706 14,707 6,708 6,709 3,710 4,711 6,721 17,724 3,728 1,729 1,730 2,731 2,733 1,736 10,737 5,738 3,739 7,740 1,743 3,747 0.5,748 3,756 1,759 2,760 2,762 2,775 1,777 2,780 1,785 24,788 2,800 1,801 8.8,803 1,804 1,806 1,808 12.333,809 6.193,810 5.222,811 1.876,812 3.895,813 1.511,814 1.002,815 3.517,816 11.515,817 3.664,818 4.353,819 5.063,820 5.744,821 6.318,822 6.732,823 7.215,824 7.684,825 7.97,826 8.356,827 1,828 42,829 8.835,831 3.961,832 8.038,833 16.28,835 13.728,837 2.538,838 60.917,842 82.398,843 93.881,844 92.773,846 110.634,849 139.835,850 193.032,851 46.819,854 56.857,855 96.537,856 107.566,857 2.144,858 70.627,859 45.954,860 82.398,861 140.699,862 110.634,864 45.954,865 82.398,866 110.634,869 46.819,870 84.833,871 9.047,872 45.954,873 82.398,874 157.452,875 139.835,878 82.398,879 27.976,880 65.905,881 62.74,882 140.667,883 82.398,884 157.452,885 139.835,887 0.589,888 0.364,889 0.212,890 0.119,891 22,892 10,893 0.054,894 2,895 2,896 1.222,897 3.5,898 212.201,899 0.222,900 18,901 110.039,904 15.12,905 5.582,906 2.303,907 1.406,908 140.667,909 10.467,911 2.873,914 2.581,916 102.275,917 379.685,918 38,922 12.758,923 1.242,924 7.348,925 -0.098,926 35.051,927 37.626,928 0.351,929 0.758,930 0.91,931 1,932 1,933 1,934 4.92,935 1.373,936 5.82,937 4.906,938 4.394,939 5.04,940 2.012,941 6.723,942 4.324,943 6.18,944 1.103,945 7.435,946 3.493,947 4.111,948 4.987,950 7.781,951 3.999,952 7.528,953 0.883,954 9.152,955 2.305,956 6.071,957 7.369,958 2.882,959 10.955,960 5.959,961 8.916,962 0.657,963 10.927,964 2.029,965 6.621,966 8.169,968 12.859,969 6.481,970 10.338,972 12.74,973 1.586,974 8.077,975 10.022,976 3.889,977 15.562,978 7.932,979 11.786,980 -0.234,981 14.579,983 8.997,984 11.218,986 17.807,987 8.832,988 13.254,989 -0.553,990 16.437,991 -0.493,992 10.272,993 12.866,994 4.932,995 20.356,996 10.097,997 3.371,998 -0.72,999 18.311,1000 -1.16,1001 11.351,1002 14.245,1004 22.739,1005 11.158,1006 3.071,1007 12.17,1008 20.197,1009 -1.65,1010 12.565,1011 15.814,1012 5.985,1013 25.24,1014 12.359,1015 2.555,1016 10.52,1017 22.093,1018 4.696,1019 13.71,1020 17.275,1022 27.68,1023 13.487,1024 2.312,1025 8.47,1026 23.996,1027 4.174,1028 14.907,1029 18.816,1030 7.041,1031 30.166,1032 14.669,1033 1.922,1034 6.846,1035 25.906,1036 3.468,1037 16.081,1038 20.315,1040 32.632,1041 15.827,1042 1.799,1043 5.922,1044 27.822,1045 3.106,1046 17.275,1047 21.848,1048 8.098,1049 35.116,1050 17.005,1051 1.622,1052 5.282,1053 29.742,1054 2.577,1055 18.462,1056 23.365,1058 37.594,1059 18.176,1060 5653,1061 10963,1062 17.918,1063 25.779,1064 42.438,1065 45.364,1066 44.033,1067 41.529,1068 41.334,1069 57.241,1070 4.594,1071 127.058,1072 39.57,1073 5.618,1074 5.757,1075 6.837,1076 5.392,1077 5.371,1078 7.696,1079 3.394,1080 19.907,1081 5.312,1082 12.083,1083 1.572,1084 1.68,1085 1.631,1086 1.538,1087 1.531,1088 2.12,1089 0.17,1090 4.706,1091 1.466,1092 4.156,1093 4.178,1094 6.881,1095 4.082,1096 7.428,1097 4.087,1098 3.967,1099 3.989,1100 4.099,1101 3.901,1102 6.546,1103 3.903,1104 3.526,1105 3.555,1106 3.911,1107 3.416,1108 6.473,1109 3.42,1110 3.366,1111 3.412,1112 3.459,1113 3.178,1114 4.916,1115 3.2,1116 3.133,1117 3.176,1118 3.27,1119 2.942,1120 4.776,1121 2.934,1122 2.942,1123 2.972,1124 3.054,1125 2.889,1126 4.363,1127 2.859,1128 2.807,1129 2.859,1130 2.773,1131 2.594,1132 4.14,1133 2.613,1134 2.606,1135 2.632,1136 2.613,1137 2.339,1138 3.914,1139 2.358,1140 0.177,1141 0.139,1142 0.262,1143 0.161,1144 0.125,1145 4.771,1146 0.174,1147 3.757,1148 0.063,1149 7.068,1150 0.451,1151 4.352,1152 0.123,1153 3.371,1154 4.696,1155 1.697,1156 12.17,1157 3.312,1158 1.931,1159 1.915,1160 1.979,1161 1.99,1162 1.161,1163 1.998,1164 1.892,1165 1.873,1166 1.975,1167 1.968,1168 1.098,1169 1.971,1170 1.576,1171 1.554,1172 1.613,1173 1.77,1174 0.713,1175 1.727,1176 1.197,1177 1.17,1178 1.333,1179 1.475,1180 0.338,1181 1.423,1182 1.186,1183 1.133,1184 1.313,1185 1.445,1186 0.303,1187 1.405,1188 0.96,1189 0.921,1190 1.144,1191 1.118,1192 0.234,1193 1.123,1194 0.758,1195 0.721,1196 0.946,1197 0.948,1198 0.049,1199 0.943,1200 0.672,1201 0.628,1202 0.831,1203 0.906,1205 0.911,1206 4.007,1208 5.371,1209 3.045,1210 6.934,1211 5.533,1212 8.592,1213 7.735,1214 10.301,1215 3.418,1221 18.923,1231 25.341,1232 60.758,1233 131.058,1234 157.464,1235 172.974,1236 172.974,1237 172.974,1238 43.772,1239 7.62,1240 98.57,1241 98.57,1242 22,1243 12.803,1244 4.322,1245 3.585,1246 33.747,1247 75,1248 94,1249 0.227,1250 159.278,1251 272.77,1252 380.399,1253 19523,1254 2.9,1255 16.845,1256 0.702,1257 0.571,1258 17.845,1259 13.703,1260 11.597,1261 0.43,1262 0.29,1263 7.002,1264 10.637,1265 6.841,1266 5.616,1267 12.174,1268 7.836,1269 10.677,1270 0.267,1271 0.154,1272 11.418,1273 6.176,1274 9.547,1275 0.165,1276 0.079,1277 10.264,1278 4.58,1279 8.514,1280 0.103,1281 0.04,1282 9.101,1283 3.321,1284 7.059,1285 0.066,1286 0.021,1287 7.616,1288 2.247,1289 0.344,1290 81.233,1291 0.236,1292 22.838,1293 0.662,1294 134,1295 432.312,1296 210.79,1297 459.549,1298 614.47,1299 424,1300 165,1301 431.342,1302 211.335,1303 449.566,1304 661.54,1305 423,1306 5.959} {0 CHEMBL2321949,1 1.866,2 8,3 5.273,4 27.8,5 85.739,6 9.866,7 0.714,8 3.739,9 3.826,10 3.507,11 3.301,12 5.114,13 3.347,14 4.238,15 4.336,16 3.999,17 3.721,18 6.046,19 3.761,20 4.429,21 4.567,22 4.022,23 3.814,24 5.796,25 3.848,26 4.566,27 4.724,28 4.114,29 3.789,30 6.106,31 3.851,32 4.557,33 4.717,34 4.025,35 3.645,36 6.149,37 3.747,38 4.38,39 4.533,40 3.829,41 3.504,42 6.186,43 3.561,44 4.233,45 4.401,46 3.593,47 3.364,48 5.776,49 3.4,50 4.09,51 4.295,52 3.377,53 3.085,54 5.688,55 3.122,56 0.29,57 0.755,58 3.364,59 2.954,60 43.355,61 2.432,62 0.848,63 1.57,64 6.354,65 5.205,66 140.849,67 4.524,68 0.619,69 1.374,70 9.664,71 6.311,72 87.079,73 6.219,74 0.956,75 1.6,76 13.131,77 6.679,78 111.83,79 6.272,80 1.124,81 1.518,82 15.342,83 6.709,84 169.362,85 5.186,86 1.159,87 1.072,88 13.506,89 5.705,90 188.969,91 5.099,92 0.834,93 1.05,94 11.28,95 4.957,96 113.033,97 4.288,98 0.775,99 1.024,100 11.79,101 4.758,102 115.267,103 4.687,104 30,105 43,106 0.332,107 0.649,108 0.745,109 0.855,110 0.889,111 0.889,112 3.269,113 0.779,114 -4.47,115 -4.4,116 -4.15,119 48.6,127 1,133 7,134 4,135 1,143 3,144 1,155 1,159 9,162 1,165 1,166 7,168 9,172 3,174 1,176 6,178 7,182 5,185 1,186 2,187 5,190 4,194 5,197 2,199 6,202 5,206 4,209 2,211 5,213 6,217 3,222 4,224 7,229 1,237 6,250 2,255 819,256 16.618,257 16.618,258 16.618,259 16.618,260 16.618,261 14.307,262 12.062,263 9.383,264 17.077,265 13.77,266 13.77,267 13.77,268 13.77,269 13.77,270 10.142,271 11.171,272 4.324,273 14.569,274 3.263,275 1.487,276 0.947,277 0.329,278 0.136,279 0.136,280 3.959,284 1,285 433,286 3.391,288 86.22,289 117.069,291 171.054,295 1.2,296 49.226,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 58,307 200,308 4.826,309 4.47,310 7.322,311 4.408,312 3.469,313 4.778,314 3.825,315 12.749,316 3.316,317 4.603,318 3.428,319 7.012,320 4.2,321 3.272,322 4.51,323 0.894,324 11.833,325 3.059,326 4.262,327 3.113,328 6.562,329 3.886,330 2.949,331 3.643,333 10.296,334 2.712,335 3.654,336 2.514,337 5.826,338 3.227,339 2.275,340 3.027,342 7.741,343 2.139,344 3.406,345 2.433,346 5.326,347 2.95,348 2.006,349 2.721,351 6.164,352 1.875,353 3.208,354 2.045,355 4.903,356 2.714,357 1.774,358 2.505,360 5.212,361 1.66,362 3.037,363 1.735,364 4.798,365 2.529,366 1.571,367 2.273,369 4.805,370 1.491,371 2.839,372 1.603,373 4.19,374 2.355,375 1.376,376 1.987,378 3.407,379 1.336,380 2.79,381 1.426,382 3.768,383 2.304,384 1.32,385 1.92,386 2.966,387 1.293,388 2.549,389 1.353,390 3.591,391 1.99,392 1.02,393 1.443,394 2.414,395 0.985,396 2.051,397 0.82,398 3.46,399 1.523,400 0.57,401 0.828,402 1.579,403 0.54,404 1.893,405 0.581,406 2.899,407 1.202,408 0.22,409 0.361,411 0.361,412 0.215,413 1.081,414 0.51,415 2.697,416 0.675,417 -0.255,418 -0.323,420 -0.634,421 -0.234,422 0.808,423 0.51,424 2.466,425 0.337,426 -0.647,427 -0.907,429 -1.565,430 -0.635,431 0.62,432 0.071,433 2.406,434 0.127,435 -0.832,436 -1,438 -2.045,439 -0.7,440 11.224,441 0.449,442 0.844,443 0.034,444 35,445 1.4,446 18.5,447 0.74,448 16.5,449 0.66,450 17.407,451 0.696,452 26.576,453 0.759,454 28.846,455 1.154,456 7.234,457 0.289,458 4.68,459 0.187,460 0.136,461 0.045,462 0.401,463 3,466 0.613,467 0.791,468 0.576,469 0.749,470 0.614,471 0.682,472 0.378,473 0.739,474 0.557,475 0.928,476 0.359,477 0.907,478 0.619,479 0.922,480 0.704,481 1.084,482 0.557,483 1.018,484 0.845,485 0.941,486 0.899,487 1.045,488 0.858,489 1.025,490 1.377,491 1.128,492 1.174,493 1.028,494 1.334,495 0.967,496 0.888,497 0.808,498 1.037,499 0.889,500 0.886,501 0.984,502 1.11,503 0.819,504 1.258,505 0.981,506 1.196,507 1.129,508 1.204,509 1.084,510 1.224,511 1.106,512 1.303,513 1.166,514 5.5,515 0.06,516 3.556,517 3.243,518 1.778,519 1.543,520 0.594,521 0.382,522 0.353,523 0.102,524 6112,525 24911,526 2.071,527 28.6,529 7,532 3,536 1.688,537 1.887,538 3.014,539 1.045,545 65.309,546 1.866,547 3.642,548 4.182,549 4.8,550 4.993,551 4.993,552 2.44,553 4.374,554 4.618,555 3.156,556 946.831,557 8.025,558 10809.9,563 179.525,564 1.71,565 4.543,566 0.196,567 0.01,568 0.083,569 0.072,570 0.039,571 0.038,572 0.018,573 0.015,574 0.019,575 0.008,576 0.497,577 0.33,578 1,579 0.942,580 116.545,581 -0.042,582 0.047,583 -0.027,584 0.163,585 -0.08,586 0.121,587 0.372,588 0.269,589 0.089,590 0.031,591 0.364,592 -0.074,593 -0.015,594 -0.16,595 0.068,596 -0.156,597 0.008,598 -0.064,599 -0.002,600 -0.029,601 -0.006,602 -0.126,603 -0.041,604 -0.1,605 -0.3,606 -0.15,607 -0.17,608 -0.086,609 -0.253,610 -0.041,611 0.103,612 0.014,613 -0.024,614 0.059,615 0.126,616 -0.008,617 -0.135,618 0.065,619 -0.243,620 -0.026,621 -0.202,622 -0.141,623 -0.058,624 -0.028,625 -0.008,626 -0.076,627 -0.146,628 -0.053,629 5.833,630 5.196,631 0.72,632 17.45,633 1.055,634 1.143,635 3.242,636 10.514,637 0.701,638 3.367,639 3.784,640 4.127,641 4.5,642 4.745,643 4.905,644 5.094,645 5.215,646 5.273,647 5.333,648 5.065,649 0.722,650 345.3,651 3.367,652 4.963,653 5.861,654 6.804,655 7.725,656 8.672,657 9.602,658 10.549,659 11.483,660 12.43,661 8.6,669 2,673 1,674 4,675 7,677 2,680 5,682 20,693 1,696 1,699 35,700 21,701 2,702 28,704 38,705 17,706 16,707 5,708 7,710 4,711 6,715 1,718 1,721 16,722 1,724 1,728 1,730 1,734 3,736 10,737 6,738 3,739 8,743 3,747 0.5,748 2,756 2,759 2,760 2,762 2,777 2,783 3,785 25,788 1,795 1,800 3,801 5.7,803 1,804 1,808 13.25,809 6.329,810 5.306,811 1.942,812 4.302,813 1.56,814 1.04,815 3.375,816 11.984,817 3.689,818 4.413,819 5.147,820 5.888,821 6.477,822 6.955,823 7.489,824 7.984,825 8.324,826 8.755,827 1,828 45,829 9.777,831 4.962,832 8.51,833 16.505,835 14.074,837 3.01,838 75.25,842 82.398,843 95.412,844 52.855,846 68.057,847 44.88,849 95.412,850 150.455,851 97.735,854 66.334,855 68.057,856 92.725,857 26.329,858 82.398,859 7.76,860 82.398,861 148.267,862 112.937,865 82.398,866 112.937,869 41.331,870 87.653,871 19.284,873 127.278,874 120.911,875 95.412,878 90.157,879 21.319,880 66.334,881 33.571,882 132.221,883 82.398,884 165.792,885 95.412,887 0.601,888 0.363,889 0.214,890 0.119,891 24,892 11,893 0.053,894 2,895 2,896 1.222,897 3.465,898 229.834,899 0.222,900 18,901 111.342,904 15.731,905 5.364,906 2.313,907 1.003,908 132.221,909 10.445,911 5.322,914 -1.096,916 76.254,917 343.602,918 39,922 11.329,924 3.005,926 36.916,927 40.009,928 0.364,929 0.71,930 0.815,931 0.936,932 0.974,933 0.974,934 4.963,935 1.376,936 5.922,937 4.805,938 4.466,939 5.1,940 3.111,941 6.874,942 4.362,943 6.245,944 1.32,945 7.574,946 3.407,947 4.369,948 5.156,949 3.903,950 8.165,951 4.124,952 7.614,953 1.02,954 9.337,955 2.966,956 6.236,957 7.497,958 5.426,959 11.279,960 6.023,961 9.027,962 0.57,963 11.163,964 2.414,965 6.938,966 8.388,967 6.69,968 13.344,969 6.601,970 10.473,971 0.22,972 13.028,973 1.579,974 8.359,975 10.231,976 8.058,977 16.042,978 8.026,979 11.944,980 -0.255,981 14.919,982 0.361,983 9.377,984 11.495,985 9.388,986 18.384,987 8.952,988 13.435,989 -0.647,990 16.828,991 -0.634,992 10.653,993 13.15,994 10.734,995 20.956,996 10.206,997 3.469,998 -0.832,999 18.75,1000 -1.565,1001 11.793,1002 14.576,1003 12.074,1004 23.403,1005 11.277,1006 3.272,1007 12.749,1008 20.682,1009 -2.045,1010 13.023,1011 16.159,1012 13.416,1013 25.936,1014 12.472,1015 2.949,1016 11.833,1017 22.621,1018 4.778,1019 14.209,1020 17.654,1021 14.758,1022 28.425,1023 13.602,1024 2.275,1025 10.296,1026 24.567,1027 4.51,1028 15.428,1029 19.211,1030 16.1,1031 30.948,1032 14.78,1033 2.006,1034 7.741,1035 26.518,1036 3.643,1037 16.633,1038 20.735,1039 17.441,1040 33.455,1041 15.935,1042 1.774,1043 6.164,1044 28.472,1045 3.027,1046 17.851,1047 22.285,1048 18.783,1049 35.977,1050 17.11,1051 1.571,1052 5.212,1053 30.43,1054 2.721,1055 19.065,1056 23.822,1057 20.124,1058 38.494,1059 18.278,1060 5930,1061 12106,1062 18.205,1063 24.546,1064 44.807,1065 44.614,1066 45.947,1067 43.951,1068 43.644,1069 59.992,1070 9.439,1071 139.057,1072 41.241,1073 5.523,1074 6.47,1075 7.004,1076 5.448,1077 5.469,1078 7.778,1079 5.335,1080 20.737,1081 5.316,1082 13.694,1083 1.6,1084 1.593,1085 1.641,1086 1.57,1087 1.559,1088 2.143,1089 0.337,1090 4.966,1091 1.473,1092 4.208,1093 4.235,1094 4.185,1095 4.119,1096 8.513,1097 4.131,1098 4.03,1099 4.06,1100 3.998,1101 3.945,1102 7.999,1103 3.953,1104 3.536,1105 3.571,1106 3.519,1107 3.399,1108 7.999,1109 3.411,1110 3.352,1111 3.402,1112 3.309,1113 3.151,1114 7.529,1115 3.173,1116 3.277,1117 3.329,1118 3.215,1119 3.022,1120 6.473,1121 3.063,1122 3.048,1123 3.106,1124 2.986,1125 2.828,1126 4.971,1127 2.837,1128 2.762,1129 2.811,1130 2.668,1131 2.427,1132 4.798,1133 2.476,1134 2.693,1135 2.756,1136 2.616,1137 2.359,1138 4.281,1139 2.436,1140 0.172,1141 0.16,1142 0.262,1143 0.157,1144 0.124,1145 4.826,1146 0.171,1147 4.47,1148 0.137,1149 7.322,1150 0.455,1151 4.408,1152 0.118,1153 3.469,1154 4.778,1155 3.825,1156 12.749,1157 3.316,1158 1.953,1159 1.935,1160 2.022,1161 2.039,1162 1.192,1163 2.031,1164 1.927,1165 1.902,1166 2.019,1167 2.011,1168 1.134,1169 2.015,1170 1.635,1171 1.604,1172 1.687,1173 1.827,1174 0.822,1175 1.787,1176 1.257,1177 1.209,1178 1.391,1179 1.535,1180 0.415,1181 1.492,1182 1.037,1183 0.991,1184 1.202,1185 1.422,1186 0.287,1187 1.307,1188 1.031,1189 0.983,1190 1.157,1191 1.286,1192 0.259,1193 1.25,1194 0.947,1195 0.902,1196 1.103,1197 1.112,1198 0.138,1199 1.12,1200 0.709,1201 0.644,1202 0.967,1203 0.96,1205 0.972,1206 4.043,1208 5.434,1209 3.045,1210 7.02,1211 5.533,1212 8.696,1213 7.743,1214 10.42,1218 39.588,1221 10.237,1228 -4.583,1231 25.278,1232 65.309,1233 127.467,1234 146.364,1235 168.015,1236 174.77,1237 174.77,1238 59.558,1239 7.682,1240 81.24,1241 81.24,1242 22,1243 12.923,1244 4.459,1245 3.585,1246 35.624,1247 75,1248 65,1249 0.24,1250 149.89,1251 254.65,1252 357.492,1253 20865,1254 8.6,1255 17.767,1256 0.711,1257 0.499,1258 15.267,1259 12.478,1260 11.914,1261 0.426,1262 0.26,1263 7.118,1264 11.274,1265 7.067,1266 5.77,1267 10.703,1268 7.268,1269 11.702,1270 0.272,1271 0.129,1272 9.706,1273 5.56,1274 9.636,1275 0.158,1276 0.068,1277 8.882,1278 4.139,1279 8.923,1280 0.1,1281 0.035,1282 8.141,1283 3.096,1284 7.308,1285 0.064,1286 0.018,1287 6.706,1288 2.076,1289 0.357,1290 76.393,1291 0.234,1292 23.333,1293 0.721,1294 142,1295 630.529,1296 168.166,1297 530.843,1298 695,1299 488,1300 175,1301 498.924,1302 195.431,1303 484.253,1304 733.19,1305 455,1306 5} {0 CHEMBL2321950,1 1.722,2 7.261,3 5.285,4 27.927,5 92.285,6 10.578,7 0.769,8 3.708,9 3.799,10 3.572,11 3.348,12 4.974,13 3.336,14 4.173,15 4.294,16 4.021,17 3.782,18 5.312,19 3.753,20 4.404,21 4.539,22 4.236,23 3.913,24 5.591,25 3.875,26 4.518,27 4.665,28 4.3,29 3.936,30 5.787,31 3.881,32 4.492,33 4.651,34 4.096,35 3.784,36 5.821,37 3.741,38 4.39,39 4.573,40 3.935,41 3.662,42 5.745,43 3.609,44 4.256,45 4.449,46 3.87,47 3.543,48 5.49,49 3.45,50 3.952,51 4.148,52 3.57,53 3.232,54 5.159,55 3.073,56 0.12,57 0.493,58 2.855,59 2.726,60 13.091,61 2.874,62 0.162,63 0.796,64 6.478,65 4.693,66 9.746,67 5.254,68 0.209,69 0.976,70 14.891,71 6.499,72 18.488,73 7.072,74 0.39,75 1.081,76 16.52,77 7.395,78 36.96,79 7.425,80 0.467,81 1.025,82 32.22,83 7.875,84 48.134,85 7.321,86 0.48,87 0.923,88 19.615,89 6.666,90 60.656,91 6.981,92 0.349,93 0.785,94 19.36,95 6.299,96 42.162,97 6.408,98 0.294,99 0.544,100 12.444,101 5.045,102 38.899,103 5.132,104 18,105 39,106 0.307,107 0.669,108 0.755,109 0.855,110 0.889,111 0.889,112 3.191,113 0.903,114 -4.47,115 -4.4,116 -4.15,117 1,119 48.6,123 1,133 7,134 3,135 2,143 3,144 1,155 1,159 8,162 3,164 1,166 4,168 8,172 6,174 1,176 4,178 7,182 6,185 2,186 1,187 3,190 6,193 1,194 6,197 1,199 5,202 5,205 1,206 5,209 1,211 4,213 5,217 5,222 2,224 6,229 2,237 6,250 4,255 641,256 15.698,257 15.698,258 15.698,259 15.698,260 15.698,261 13.224,262 10.645,263 8.909,264 16.078,265 12.728,266 12.728,267 12.728,268 12.728,269 12.728,270 8.959,271 10.199,272 4.067,273 13.388,274 3.407,275 1.373,276 0.89,277 0.329,278 0.136,279 0.136,280 3.884,284 1,285 366,286 2.449,288 76.623,289 103.508,291 151.777,295 0.991,296 21.458,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 49.25,307 167,308 4.859,309 3.539,310 7.216,311 4.406,312 3.443,313 4.845,314 0.894,315 12.711,316 3.319,317 4.579,318 3.252,319 6.752,320 4.085,321 3.121,322 4.533,324 11.012,325 3.005,326 3.887,327 2.81,328 6.126,329 3.431,330 2.492,331 3.408,333 8.642,334 2.323,335 3.578,336 2.514,337 5.605,338 3.118,339 2.185,340 2.985,342 6.813,343 2.018,344 3.411,345 2.273,346 5.356,347 2.934,348 1.975,349 2.783,351 6.206,352 1.877,353 3.144,354 1.984,355 4.879,356 2.628,357 1.689,358 2.434,360 5.079,361 1.558,362 2.913,363 1.671,364 4.528,365 2.421,366 1.464,367 2.095,369 3.968,370 1.373,371 2.799,372 1.579,373 3.823,374 2.312,375 1.329,376 1.936,378 2.984,379 1.3,380 2.604,381 1.37,382 3.606,383 2.081,384 1.122,385 1.574,386 2.647,387 1.043,388 2.366,389 1.182,390 3.552,391 1.823,392 0.883,393 1.239,394 2.046,395 0.804,396 1.894,397 0.702,398 2.998,399 1.206,400 0.228,401 0.368,402 0.4,403 0.222,404 1.271,405 0.357,406 2.678,407 0.914,408 -0.007,409 -0.009,411 -0.016,412 -0.006,413 0.977,414 0.243,415 2.556,416 0.516,417 -0.276,418 -0.334,420 -0.639,421 -0.153,422 0.838,423 -0.434,424 2.359,425 0.358,426 -0.614,427 -0.869,429 -1.491,430 -0.591,431 0.62,432 -0.657,433 2.287,434 0.127,435 -0.842,436 -1.199,438 -2.081,439 -0.797,440 11.7,441 0.509,442 0.628,443 0.027,444 33.5,445 1.457,446 18.5,447 0.804,448 15,449 0.652,450 17.624,451 0.766,452 22.5,453 0.643,454 22.799,455 0.991,456 6.507,457 0.283,458 4.623,459 0.201,460 0.214,462 0.419,466 0.7,467 1.011,468 0.464,469 0.646,470 0.622,471 0.687,472 0.572,473 1.002,474 0.539,475 0.682,476 0.439,477 0.713,478 0.744,479 1.172,480 0.85,481 0.998,482 0.638,483 0.927,484 1.092,485 1.097,486 0.991,487 0.984,488 1.031,489 1.012,490 1.387,491 1.102,492 1.327,493 1.255,494 1.381,495 1.128,496 1.154,497 0.964,498 0.751,499 0.898,500 1.228,501 0.953,502 1.357,503 0.895,504 1.045,505 0.974,506 1.417,507 1.021,508 1.267,509 0.87,510 1.019,511 1.087,512 1.627,513 1.271,514 3.5,516 3.111,517 3.313,518 1.736,519 1.011,520 0.65,521 0.339,522 0.117,523 0.031,524 4862,525 15831,526 2.115,527 34.3,529 10,532 2,536 1.667,537 1.944,538 2.897,539 0.321,545 60.264,546 1.722,547 3.756,548 4.239,549 4.8,550 4.993,551 4.993,552 2.212,553 4.437,554 4.499,555 2.99,556 756.573,557 7.794,558 8144.41,563 179.525,564 1.491,565 4.44,566 0.135,568 0.08,569 0.077,570 0.042,571 0.029,572 0.022,573 0.015,574 0.01,575 0.008,576 0.417,577 0.33,578 1,579 0.832,580 103.317,581 0.014,582 0.039,583 -0.005,584 0.084,585 -0.014,586 0.061,587 0.033,588 0.038,589 0.025,590 0.1,591 0.002,592 0.107,593 0.023,594 -0.168,595 -0.004,596 -0.113,597 0.012,598 -0.048,599 -0.039,600 -0.079,601 -0.034,602 -0.055,603 -0.037,604 -0.124,605 -0.114,606 -0.102,607 -0.159,608 -0.246,609 -0.082,610 -0.197,611 0.04,612 0.027,613 -0.002,614 0.017,615 0.089,616 0.006,617 -0.206,618 0.059,619 -0.01,620 0.044,621 -0.146,622 -0.001,623 -0.147,624 -0.009,625 0.037,626 -0.024,627 -0.229,628 -0.19,629 1.58,630 4.623,631 0.783,632 14.484,633 1.017,634 1.109,635 3.242,636 10.514,637 0.745,638 3.296,639 3.689,640 4.094,641 4.466,642 4.71,643 4.844,644 5.004,645 5.147,646 5.13,647 5.112,648 4.62,649 0.719,650 370.22,651 3.296,652 4.875,653 5.79,654 6.725,655 7.66,656 8.603,657 9.543,658 10.489,659 11.433,660 12.38,661 8.6,669 2,673 1,674 4,675 7,677 1,680 5,681 1,682 20,693 1,696 1,698 1,699 35,700 21,701 2,702 26,703 1,704 38,705 17,706 16,707 5,708 7,710 4,711 6,721 16,722 1,724 1,728 1,730 1,736 12,737 3,738 2,739 6,740 1,743 3,747 0.5,748 2,756 2,759 2,760 2,762 2,777 2,780 1,781 1,785 23,788 1,800 1,801 5.7,803 1,804 1,808 11.833,809 6.743,810 5.028,811 1.983,812 4.244,813 1.567,814 1.033,815 3.287,816 11.731,817 3.638,818 4.376,819 5.143,820 5.882,821 6.469,822 6.934,823 7.452,824 7.969,825 8.269,826 8.646,827 0.8,828 43,829 8.462,831 3.747,832 7.859,833 15.934,835 13.515,837 2.359,838 54.25,842 117.711,843 95.918,844 83.922,846 68.057,849 141.873,850 185.768,851 37.968,852 8.396,854 66.334,855 68.057,856 32.828,857 26.329,858 117.711,859 45.954,860 117.711,861 133.887,862 68.057,864 45.954,865 117.711,866 68.057,869 18.685,870 95.918,871 19.284,872 45.954,873 117.711,874 106.025,875 141.873,878 117.711,879 21.188,880 76.629,881 62.74,882 87.34,883 117.711,884 106.025,885 141.873,887 0.592,888 0.384,889 0.231,890 0.126,891 22,892 10,893 0.053,894 2,895 2,896 1.222,897 3.332,898 206.31,899 0.222,900 18,901 102.042,904 14.486,905 5.219,906 1.968,907 3.249,908 87.34,909 13.178,911 3.215,914 2.375,915 1.689,916 59.469,917 365.609,918 37,922 11.429,924 3.201,926 35.607,927 38.831,928 0.336,929 0.732,930 0.826,931 0.936,932 0.974,933 0.974,934 4.89,935 1.329,936 5.814,937 3.968,938 4.369,939 5.063,940 0.956,941 6.751,942 4.273,943 6.162,944 1.122,945 7.452,946 2.984,947 4.111,948 5.094,950 7.888,951 3.934,952 7.524,953 0.883,954 9.193,955 2.647,956 6.075,957 7.483,958 0.824,959 11.088,960 5.906,961 8.932,962 0.228,963 10.995,964 2.046,965 6.673,966 8.385,968 13.068,969 6.437,970 10.376,971 -0.007,972 12.834,973 0.4,974 8.132,975 10.246,976 0.705,977 15.8,978 7.893,979 11.848,980 -0.276,981 14.699,982 -0.016,983 9.099,984 11.532,986 18.109,987 8.807,988 13.342,989 -0.614,990 16.583,991 -0.639,992 10.386,993 13.199,994 0.598,995 20.694,996 10.077,997 3.443,998 -0.842,999 18.481,1000 -1.491,1001 11.503,1002 14.647,1004 23.131,1005 11.15,1006 3.121,1007 12.711,1008 20.391,1009 -2.081,1010 12.735,1011 16.243,1012 0.504,1013 25.671,1014 12.356,1015 2.492,1016 11.012,1017 22.309,1018 4.845,1019 13.912,1020 17.758,1022 28.16,1023 13.493,1024 2.185,1025 8.642,1026 24.235,1027 4.533,1028 15.129,1029 19.329,1030 0.422,1031 30.688,1032 14.679,1033 1.975,1034 6.813,1035 26.167,1036 3.408,1037 16.33,1038 20.87,1040 33.199,1041 15.842,1042 1.689,1043 6.206,1044 28.104,1045 2.985,1046 17.546,1047 22.434,1048 0.35,1049 35.727,1050 17.024,1051 1.464,1052 5.079,1053 30.045,1054 2.783,1055 18.758,1056 23.987,1058 38.249,1059 18.199,1060 4682,1061 8550,1062 17.224,1063 26.085,1064 40.758,1065 41.809,1066 42.884,1067 40.156,1068 39.859,1069 56.402,1070 1.789,1071 125.019,1072 37.681,1073 5.554,1074 5.539,1075 6.898,1076 5.445,1077 5.443,1078 7.845,1079 1.789,1080 20.585,1081 5.319,1082 11.362,1083 1.568,1084 1.608,1085 1.649,1086 1.544,1087 1.533,1088 2.169,1089 0.069,1090 4.808,1091 1.449,1092 4.209,1093 4.236,1094 6.881,1095 4.127,1096 7.529,1097 4.135,1098 4.027,1099 4.056,1100 4.165,1101 3.953,1102 6.47,1103 3.955,1104 3.495,1105 3.536,1106 3.959,1107 3.401,1108 4.971,1109 3.393,1110 3.394,1111 3.455,1112 3.379,1113 3.211,1114 4.806,1115 3.225,1116 3.074,1117 3.123,1118 3.298,1119 2.964,1120 4.29,1121 2.92,1122 3.008,1123 3.072,1124 3,1125 2.828,1126 4.151,1127 2.833,1128 2.818,1129 2.872,1130 2.812,1131 2.712,1132 3.811,1133 2.656,1134 2.755,1135 2.803,1136 2.655,1137 2.358,1138 3.758,1139 2.437,1140 0.187,1141 0.136,1142 0.278,1143 0.169,1144 0.132,1145 4.859,1146 0.186,1147 3.539,1148 0.034,1149 7.216,1150 0.489,1151 4.406,1152 0.128,1153 3.443,1154 4.845,1155 0.894,1156 12.711,1157 3.319,1158 1.94,1159 1.924,1160 2.022,1161 2.015,1162 1.184,1163 2.018,1164 1.926,1165 1.902,1166 1.988,1167 2.003,1168 1.134,1169 2.009,1170 1.66,1171 1.624,1172 1.759,1173 1.856,1174 0.897,1175 1.827,1176 1.367,1177 1.303,1178 1.56,1179 1.609,1180 0.646,1181 1.595,1182 1.048,1183 1.007,1184 1.204,1185 1.293,1186 0.305,1187 1.251,1188 1.007,1189 0.951,1190 1.196,1191 1.219,1192 0.28,1193 1.219,1194 0.796,1195 0.749,1196 1.018,1197 0.985,1198 0.166,1199 1.011,1200 0.719,1201 0.651,1202 0.987,1203 0.955,1204 0.065,1205 0.966,1206 3.97,1208 5.342,1209 3.045,1210 6.927,1211 5.587,1212 8.606,1213 7.832,1214 10.335,1215 3.511,1216 1.78,1221 10.623,1231 25.153,1232 60.264,1233 131.467,1234 148.364,1235 168.015,1236 174.77,1237 174.77,1238 36.054,1239 7.487,1240 70.38,1241 70.38,1242 22,1243 12.871,1244 4.459,1245 3.585,1246 31.517,1247 63,1248 55,1249 0.254,1250 158.209,1251 255.72,1252 377.791,1253 16210,1254 2.9,1255 16.137,1256 0.702,1257 0.598,1258 17.137,1259 13.755,1260 11.13,1261 0.428,1262 0.301,1263 6.996,1264 10.212,1265 6.779,1266 5.597,1267 11.708,1268 7.828,1269 10.125,1270 0.26,1271 0.16,1272 10.867,1273 6.233,1274 9.495,1275 0.161,1276 0.081,1277 10.168,1278 4.793,1279 8.621,1280 0.1,1281 0.043,1282 9.375,1283 3.734,1284 7.002,1285 0.064,1286 0.022,1287 7.52,1288 2.41,1289 0.374,1290 78.025,1291 0.241,1292 21.578,1293 0.783,1294 130,1295 384.163,1296 205.38,1297 414.898,1298 562.52,1299 384,1300 163,1301 402.573,1302 208.978,1303 421.136,1304 622.06,1305 396,1306 5} {0 CHEMBL2321951,1 1.671,2 9.08,3 4.186,4 17.52,5 91.293,6 8.825,7 0.714,8 3.796,9 3.882,10 3.492,11 3.356,12 5.12,13 3.381,14 4.254,15 4.359,16 3.874,17 3.764,18 5.527,19 3.773,20 4.45,21 4.581,22 3.974,23 3.865,24 5.731,25 3.871,26 4.576,27 4.726,28 3.973,29 3.843,30 5.918,31 3.854,32 4.515,33 4.664,34 3.912,35 3.741,36 5.892,37 3.768,38 4.481,39 4.654,40 3.834,41 3.663,42 5.953,43 3.668,44 4.325,45 4.492,46 3.55,47 3.496,48 5.79,49 3.479,50 4.092,51 4.296,52 3.158,53 3.243,54 5.3,55 3.187,56 0.175,57 0.55,58 5.407,59 3.121,60 16.193,61 3.111,62 0.357,63 0.853,64 9.823,65 5.267,66 29.934,67 5.619,68 0.308,69 1.049,70 12.463,71 6.365,72 29.392,73 6.961,74 0.585,75 1.137,76 16.676,77 6.865,78 62.296,79 7.171,80 0.551,81 1.057,82 15.935,83 6.349,84 64.241,85 6.423,86 0.677,87 0.992,88 17.031,89 6.393,90 76.478,91 7.444,92 0.625,93 0.821,94 14.771,95 5.61,96 89.033,97 5.956,98 0.337,99 0.663,100 12.031,101 4.6,102 38.28,103 5.307,104 22,105 41,106 0.292,107 0.668,108 0.767,109 0.876,110 0.894,111 0.894,112 3.269,113 0.805,114 -3.56,115 -3.54,116 -3.37,119 47.4,123 1,133 7,134 4,135 1,143 3,144 1,147 1,155 1,159 9,161 1,162 3,165 1,166 7,168 9,172 7,174 1,176 6,178 7,182 9,185 1,186 2,187 5,190 4,194 5,197 2,199 6,202 5,205 2,206 4,209 4,211 5,213 6,216 2,217 5,222 4,224 7,229 3,237 6,242 2,245 4,250 2,255 835,256 17.171,257 17.171,258 17.171,259 17.171,260 17.171,261 14.75,262 10.872,263 9.81,264 17.539,265 13.68,266 13.68,267 13.68,268 13.68,269 13.68,270 9.79,271 9.115,272 4.449,273 14.111,274 3.577,275 1.423,276 0.853,277 0.23,278 0.125,279 0.125,280 3.963,284 1,285 495,286 3.082,288 92.457,289 119.04,291 177.562,295 1.45,296 31.803,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 55.5,307 227,308 4.781,309 3.655,310 7.062,311 4.341,312 3.365,313 4.742,314 1.674,315 12.188,316 3.284,317 4.519,318 3.423,319 6.602,320 4.034,321 3.054,322 4.468,323 0.894,324 10.52,325 2.994,326 4.059,327 3.102,328 6.017,329 3.686,330 2.698,331 3.538,333 8.526,334 2.651,335 3.674,336 2.527,337 5.738,338 3.236,339 2.255,340 3.113,342 7.489,343 2.207,344 3.411,345 2.334,346 5.275,347 2.941,348 1.986,349 2.764,351 6.042,352 1.893,353 3.203,354 2.084,355 4.88,356 2.711,357 1.768,358 2.502,360 5.194,361 1.66,362 2.988,363 1.816,364 4.624,365 2.473,366 1.508,367 2.186,369 4.427,370 1.447,371 2.83,372 1.643,373 4.127,374 2.339,375 1.354,376 1.983,378 3.429,379 1.33,380 2.79,381 1.461,382 3.753,383 2.304,384 1.333,385 1.859,386 2.934,387 1.282,388 2.545,389 1.424,390 3.609,391 1.979,392 1.006,393 1.435,394 2.389,395 0.976,396 1.981,397 1.381,398 3.345,399 1.468,400 0.509,401 0.734,402 1.324,403 0.486,404 1.932,405 0.759,406 2.854,407 1.265,408 0.308,409 0.453,411 0.495,412 0.291,413 1.471,414 0.521,415 2.56,416 1.087,417 0.135,418 0.179,420 0.191,421 0.127,422 1.047,423 0.003,424 2.499,425 0.605,426 -0.334,427 -0.431,429 -0.782,430 -0.308,431 0.836,432 -0.143,433 2.348,434 0.358,435 -0.623,436 -0.89,438 -1.488,439 -0.604,440 11.533,441 0.461,442 0.623,443 0.025,444 36.5,445 1.46,446 20,447 0.8,448 16.5,449 0.66,450 16.273,451 0.651,452 25.667,453 0.675,454 28.28,455 1.131,456 7.555,457 0.302,458 4.58,459 0.183,460 0.13,462 0.434,466 0.746,467 0.991,468 0.665,469 0.829,470 0.611,471 0.74,472 0.644,473 1.033,474 0.683,475 0.857,476 0.482,477 0.803,478 0.752,479 1.221,480 0.803,481 1.119,482 0.684,483 1.004,484 1.097,485 1.077,486 1.025,487 1.015,488 1.131,489 0.999,490 1.25,491 1.132,492 1.04,493 1.047,494 1.274,495 0.992,496 0.842,497 0.93,498 0.893,499 0.956,500 0.958,501 0.941,502 1.155,503 0.971,504 1.185,505 0.993,506 1.259,507 1.071,508 1.044,509 0.948,510 1.234,511 1.13,512 1.055,513 1.195,514 4.5,515 0.057,516 3.333,517 2.618,518 1.606,519 1.237,520 0.693,521 0.307,522 0.222,523 0.139,524 6400,525 21280,526 2.105,527 34.2,529 10,532 3,536 1.686,537 1.948,538 3.147,539 1.005,541 1,545 63.502,546 1.671,547 3.825,548 4.395,549 5.018,550 5.123,551 5.123,552 2.675,553 4.484,554 4.614,555 3.268,556 980.502,557 8.011,558 11255.8,560 1,561 1,562 1,563 199.421,564 1.473,565 4.565,566 0.161,567 0.006,568 0.081,569 0.06,570 0.038,571 0.032,572 0.02,573 0.012,574 0.013,575 0.01,576 0.432,577 0.33,578 1,579 1.086,580 117.533,581 -0.04,582 0.094,583 0.006,584 0.112,585 -0.041,586 0.084,587 0.081,588 -0.002,589 0.061,590 0.113,591 0.044,592 0.083,593 -0.042,594 -0.186,596 -0.164,597 -0.007,598 -0.093,599 -0.112,600 -0.053,601 -0.104,602 -0.076,603 -0.111,604 -0.086,605 -0.177,606 -0.114,607 -0.096,608 -0.114,609 -0.164,610 -0.088,611 0.196,612 0.062,613 0.125,614 0.001,615 0.148,616 0.031,617 -0.034,618 -0.025,619 -0.158,620 -0.017,621 0.017,622 -0.093,623 -0.153,624 0.005,625 -0.182,626 -0.144,627 -0.123,628 -0.149,629 2.17,630 4.735,631 0.72,632 19.056,633 1.027,634 1.116,635 2.333,636 5.441,637 0.701,638 3.367,639 3.738,640 4.111,641 4.454,642 4.71,643 4.875,644 5.063,645 5.215,646 5.257,647 5.318,648 5.329,649 0.699,650 335.34,651 3.367,652 4.934,653 5.832,654 6.751,655 7.671,656 8.6,657 9.527,658 10.46,659 11.391,660 12.325,661 7.9,669 2,673 1,674 4,675 7,677 2,680 5,682 20,690 1,693 1,696 1,699 38,700 22,701 2,702 28,704 41,705 18,706 16,707 5,708 7,709 1,710 4,711 6,721 17,722 1,724 2,728 2,730 1,731 1,733 1,736 13,737 5,738 3,739 7,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,777 2,781 1,785 25,788 1,791 1,801 10.5,803 1,804 2,806 1,808 12.833,809 7.233,810 5.556,811 2.078,812 4.242,813 1.553,814 1.01,815 3.641,816 11.908,817 3.714,818 4.413,819 5.152,820 5.868,821 6.471,822 6.969,823 7.507,824 8.016,825 8.356,826 8.784,827 1,828 44,829 9.208,831 4.093,832 8.067,833 16.944,835 14.112,837 2.567,838 64.167,842 117.711,843 105.727,844 52.855,846 104.202,849 105.727,850 221.913,851 52.855,852 10.883,854 66.334,855 100.393,856 58.845,857 26.329,858 117.711,860 117.711,861 158.582,862 104.202,865 117.711,866 104.202,869 33.571,870 105.727,871 19.284,873 117.711,874 157.056,875 105.727,878 117.711,879 28.51,880 77.217,881 33.571,882 123.485,883 117.711,884 157.056,885 105.727,887 0.585,888 0.371,889 0.212,890 0.117,891 22,892 10,893 0.098,894 4,895 2,896 1.222,897 3.556,898 224.649,899 0.222,900 18,901 116.096,904 15.572,905 5.846,906 2.348,907 2.602,908 123.485,909 12.152,911 5.986,914 1.225,916 76.254,917 380.494,918 40,922 23.253,924 3.13,925 -0.503,926 39.033,927 42.409,928 0.318,929 0.729,930 0.837,931 0.956,932 0.976,933 0.976,934 4.956,935 1.354,936 5.844,937 4.427,938 4.419,939 5.1,940 2.105,941 6.744,942 4.363,943 6.212,944 1.333,945 7.458,946 3.429,947 4.111,948 5.085,950 7.813,951 4.037,952 7.559,953 1.006,954 9.173,955 2.934,956 6.094,957 7.478,958 2.89,959 10.976,960 5.996,961 8.951,962 0.509,963 10.947,964 2.389,965 6.635,966 8.329,968 12.89,969 6.517,970 10.378,971 0.308,972 12.759,973 1.324,974 8.096,975 10.188,976 3.831,977 15.58,978 7.959,979 11.831,980 0.135,981 14.597,982 0.495,983 9.009,984 11.427,986 17.831,987 8.848,988 13.304,989 -0.334,990 16.455,991 0.191,992 10.284,993 13.084,994 4.831,995 20.372,996 10.104,997 3.365,998 -0.623,999 18.326,1000 -0.782,1001 11.356,1002 14.495,1004 22.759,1005 11.15,1006 3.054,1007 12.188,1008 20.21,1009 -1.488,1010 12.567,1011 16.075,1012 5.852,1013 25.255,1014 12.34,1015 2.698,1016 10.52,1017 22.102,1018 4.742,1019 13.706,1020 17.558,1022 27.698,1023 13.454,1024 2.255,1025 8.526,1026 24.003,1027 4.468,1028 14.898,1029 19.11,1030 6.88,1031 30.183,1032 14.623,1033 1.986,1034 7.489,1035 25.91,1036 3.538,1037 16.067,1038 20.626,1040 32.65,1041 15.767,1042 1.768,1043 6.042,1044 27.822,1045 3.113,1046 17.257,1047 22.168,1048 7.91,1049 35.135,1050 16.933,1051 1.508,1052 5.194,1053 29.739,1054 2.764,1055 18.44,1056 23.698,1058 37.615,1059 18.09,1060 6185,1061 11380,1062 18.611,1063 26.642,1064 43.23,1065 45.407,1066 45.636,1067 42.564,1068 42.561,1069 59.913,1070 5.138,1071 130.296,1072 41.254,1073 5.481,1074 5.655,1075 6.743,1076 5.381,1077 5.365,1078 7.742,1079 3.349,1080 19.895,1081 5.284,1082 12.535,1083 1.544,1084 1.622,1085 1.63,1086 1.52,1087 1.52,1088 2.14,1089 0.183,1090 4.653,1091 1.473,1092 4.204,1093 4.232,1094 4.179,1095 4.117,1096 7.529,1097 4.128,1098 4.025,1099 4.053,1100 3.989,1101 3.944,1102 7.433,1103 3.951,1104 3.586,1105 3.6,1106 3.546,1107 3.428,1108 6.473,1109 3.447,1110 3.397,1111 3.438,1112 3.314,1113 3.206,1114 4.97,1115 3.23,1116 3.247,1117 3.303,1118 3.152,1119 2.994,1120 4.823,1121 3.017,1122 3.054,1123 3.113,1124 2.952,1125 2.825,1126 4.501,1127 2.828,1128 2.93,1129 2.985,1130 2.801,1131 2.8,1132 4.218,1133 2.791,1134 2.779,1135 2.829,1136 2.666,1137 2.458,1138 4.093,1139 2.482,1140 0.171,1141 0.131,1142 0.252,1143 0.155,1144 0.12,1145 4.781,1146 0.169,1147 3.655,1148 0.06,1149 7.062,1150 0.435,1151 4.341,1152 0.117,1153 3.365,1154 4.742,1155 1.674,1156 12.188,1157 3.284,1158 1.943,1159 1.927,1160 2.028,1161 2.03,1162 1.169,1163 2.026,1164 1.937,1165 1.914,1166 2.014,1167 2.014,1168 1.15,1169 2.018,1170 1.627,1171 1.593,1172 1.688,1173 1.824,1174 0.808,1175 1.785,1176 1.302,1177 1.279,1178 1.596,1179 1.622,1180 0.584,1181 1.599,1182 1.251,1183 1.201,1184 1.39,1185 1.534,1186 0.405,1187 1.49,1188 1.044,1189 0.977,1190 1.203,1191 1.302,1192 0.299,1193 1.274,1194 0.967,1195 0.919,1196 1.154,1197 1.132,1198 0.26,1199 1.134,1200 0.775,1201 0.712,1202 1.063,1203 0.995,1204 0.104,1205 1.017,1206 4.043,1208 5.398,1209 3.045,1210 6.959,1211 5.533,1212 8.613,1213 7.735,1214 10.315,1216 1.29,1221 10.32,1224 4.712,1231 26.557,1232 63.502,1233 145.363,1234 167.015,1235 190.666,1236 194.666,1237 194.666,1238 45.883,1239 7.667,1240 107.54,1241 107.54,1242 22,1243 12.825,1244 4.524,1245 3.7,1246 35.705,1247 79,1248 89,1249 0.228,1250 160.953,1251 268.68,1252 384.485,1253 20486,1255 17.552,1256 0.702,1257 0.526,1258 17.552,1259 13.161,1260 12.135,1261 0.433,1262 0.268,1263 7.382,1264 11.568,1265 7.232,1266 5.987,1267 12.135,1268 7.512,1269 10.853,1270 0.265,1271 0.136,1272 10.853,1273 5.586,1274 9.972,1275 0.166,1276 0.07,1277 9.972,1278 4.22,1279 8.691,1280 0.102,1281 0.036,1282 8.691,1283 3.079,1284 7.149,1285 0.065,1286 0.019,1287 7.149,1288 2.08,1289 0.344,1290 77.159,1291 0.232,1292 23.579,1293 0.672,1294 138,1295 465.667,1296 152.352,1297 446.832,1298 605.04,1299 414,1300 170,1301 448.106,1302 184.44,1303 452.979,1304 663.93,1305 424,1306 5} {0 CHEMBL2321952,1 1.692,2 8.458,3 3.935,4 15.482,5 86.524,6 9.18,7 0.741,8 3.728,9 3.81,10 3.447,11 3.305,12 5.103,13 3.336,14 4.157,15 4.243,16 3.847,17 3.727,18 5.553,19 3.738,20 4.415,21 4.549,22 3.929,23 3.821,24 5.719,25 3.828,26 4.504,27 4.656,28 3.926,29 3.779,30 5.874,31 3.793,32 4.448,33 4.603,34 3.861,35 3.642,36 5.873,37 3.685,38 4.346,39 4.496,40 3.779,41 3.536,42 5.945,43 3.57,44 4.206,45 4.362,46 3.442,47 3.363,48 5.803,49 3.359,50 3.918,51 4.113,52 3.018,53 3.087,54 5.179,55 3.033,56 0.204,57 0.51,58 4.544,59 2.767,60 24.906,61 2.462,62 0.287,63 0.79,64 6.532,65 4.607,66 42.139,67 4.712,68 0.371,69 1.007,70 11.307,71 6.03,72 47.347,73 6.259,74 0.555,75 1.075,76 14.259,77 6.357,78 66.243,79 6.517,80 0.605,81 0.987,82 14.879,83 5.857,84 86.617,85 5.572,86 0.658,87 0.874,88 13.191,89 5.255,90 83.459,91 5.445,92 0.642,93 0.725,94 12.3,95 4.779,96 110.733,97 4.409,98 0.324,99 0.531,100 10.182,101 4.22,102 51.811,103 4.779,104 21,105 40,106 0.3,107 0.639,108 0.759,109 0.889,110 0.909,111 0.909,112 3.23,113 0.791,114 -3.33,115 -3.31,116 -3.17,119 48.6,133 7,134 4,135 1,143 3,144 1,147 1,155 1,156 1,158 1,159 9,160 1,162 2,164 1,165 1,166 8,168 9,169 2,172 5,174 1,176 8,178 7,179 2,182 7,185 1,186 2,187 7,190 4,194 5,195 1,197 2,199 6,200 1,202 5,205 1,206 4,207 1,209 4,210 1,211 5,213 6,214 1,216 1,217 4,220 1,222 5,224 7,225 1,229 2,234 1,235 2,237 6,238 1,242 1,245 2,246 2,247 1,250 2,251 2,255 746,256 16.301,257 16.301,258 16.301,259 16.301,260 16.301,261 13.827,262 9.885,263 9.308,264 16.517,265 13.259,266 13.259,267 13.259,268 13.259,269 13.259,270 9.376,271 8.668,272 4.295,273 13.586,274 3.437,275 1.523,276 0.847,277 0.114,280 3.925,283 1,284 1,285 444,286 2.915,288 86.132,289 111.928,291 166.418,295 1.292,296 33.813,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53.5,307 203,308 4.781,309 3.586,310 7.062,311 4.341,312 3.364,313 4.742,314 1.437,315 12.188,316 3.284,317 4.518,318 3.42,319 6.601,320 4.031,321 3.051,322 4.467,323 0.894,324 10.515,325 2.991,326 4.03,327 3.101,328 5.942,329 3.651,330 2.656,331 3.519,333 8.26,334 2.628,335 3.665,336 2.525,337 5.714,338 3.226,339 2.244,340 3.102,342 7.398,343 2.2,344 3.408,345 2.333,346 5.272,347 2.937,348 1.98,349 2.761,351 6.034,352 1.89,353 3.202,354 2.08,355 4.88,356 2.71,357 1.767,358 2.501,360 5.188,361 1.659,362 2.963,363 1.808,364 4.62,365 2.439,366 1.462,367 2.161,369 4.387,370 1.423,371 2.83,372 1.643,373 3.83,374 2.339,375 1.354,376 1.982,378 2.936,379 1.329,380 2.737,381 1.424,382 3.73,383 2.211,384 1.208,385 1.756,386 2.893,387 1.195,388 2.542,389 1.381,390 3.609,391 1.974,392 1,393 1.427,394 2.385,395 0.971,396 1.98,397 0.761,398 3.338,399 1.457,400 0.489,401 0.721,402 1.298,403 0.472,404 1.926,405 0.545,406 2.819,407 1.232,408 0.247,409 0.404,411 0.418,412 0.243,413 1.047,414 0.415,415 2.506,416 0.609,417 -0.33,418 -0.425,420 -0.772,421 -0.304,422 0.837,423 -0.023,424 2.377,425 0.36,426 -0.609,427 -0.836,429 -1.473,430 -0.582,431 0.642,432 -0.339,433 2.265,434 0.146,435 -0.843,436 -1.187,438 -2,439 -0.825,440 11.033,441 0.46,442 0.661,443 0.028,444 35.75,445 1.49,446 20,447 0.833,448 15.75,449 0.656,450 15.019,451 0.626,452 24.367,453 0.696,454 27.176,455 1.132,456 7.328,457 0.305,458 4.269,459 0.178,460 0.121,462 0.453,466 0.792,467 0.876,468 0.678,469 0.684,470 0.703,471 0.645,472 0.424,473 1.143,474 0.635,475 0.99,476 0.389,477 0.914,478 0.756,479 1.181,480 0.853,481 1.097,482 0.664,483 1.027,484 0.935,485 1.113,486 0.989,487 1.074,488 0.899,489 1.049,490 1.268,491 1.07,492 1.013,493 0.97,494 1.215,495 0.916,496 0.927,497 0.952,498 0.948,499 0.974,500 0.992,501 0.965,502 1.273,503 0.862,504 1.333,505 0.955,506 1.25,507 1.099,508 0.998,509 0.934,510 1.143,511 1.14,512 1.098,513 1.186,514 4.5,515 0.037,516 3.111,517 2.618,518 1.606,519 1.209,520 0.653,521 0.235,522 0.222,523 0.119,524 5695,525 20065,526 2.11,527 31.4,529 7,532 4,536 1.676,537 1.946,538 3.062,539 1.819,541 1,545 59.229,546 1.692,547 3.606,548 4.282,549 5.015,550 5.129,551 5.129,552 2.527,553 4.418,554 4.556,555 3.184,556 878.85,557 7.898,558 9769.62,560 1,561 1,562 1,563 179.525,564 1.483,565 4.504,566 0.167,567 0.007,568 0.078,569 0.062,570 0.04,571 0.033,572 0.02,573 0.01,574 0.015,575 0.01,576 0.442,577 0.33,578 1,579 0.921,580 110.777,581 -0.089,582 0.193,583 -0.04,584 0.234,585 -0.088,586 0.148,587 0.156,588 -0.113,589 0.009,590 -0.051,591 0.132,592 -0.07,593 -0.056,594 -0.168,595 -0.031,596 -0.148,597 -0.024,598 -0.1,599 -0.055,600 -0.095,601 -0.058,602 -0.132,603 -0.061,604 -0.106,605 -0.192,606 -0.064,607 -0.013,608 -0.029,609 -0.167,610 0.024,611 0.16,612 0.057,613 0.055,614 -0.032,615 0.107,616 -0.027,617 -0.102,618 0.087,619 -0.279,620 0.022,621 0.008,622 -0.119,623 -0.088,624 -0.074,625 -0.009,626 -0.087,627 -0.127,628 -0.038,629 2.758,630 4.417,631 0.75,632 17,633 1.033,634 1.114,635 2.095,636 4.389,637 0.711,638 3.332,639 3.714,640 4.078,641 4.431,642 4.691,643 4.852,644 5.024,645 5.17,646 5.209,647 5.242,648 5.079,649 0.715,650 321.31,651 3.332,652 4.905,653 5.802,654 6.725,655 7.645,656 8.576,657 9.504,658 10.438,659 11.37,660 12.305,661 8.6,669 2,673 1,674 4,675 7,677 2,680 5,682 20,689 1,693 1,696 1,699 35,700 22,701 2,702 27,704 38,705 17,706 16,707 5,708 7,709 1,710 4,711 6,721 17,724 2,728 2,730 1,731 1,733 1,736 11,737 5,738 4,739 7,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,775 1,777 2,785 24,788 2,801 11.4,803 2,804 2,808 12.333,809 6.267,810 5.222,811 1.919,812 4.258,813 1.561,814 1.004,815 3.232,816 11.843,817 3.689,818 4.401,819 5.134,820 5.859,821 6.464,822 6.959,823 7.491,824 7.996,825 8.336,826 8.755,827 0.833,828 42,829 8.846,831 4.019,832 8.194,833 16.11,835 13.637,837 2.694,838 64.667,842 82.398,843 88.562,844 52.855,846 135.885,849 88.562,850 218.283,851 52.855,854 66.334,855 136.795,856 47.845,857 26.329,858 82.398,860 82.398,861 141.417,862 135.885,865 82.398,866 135.885,869 33.571,870 88.562,871 19.284,873 82.398,874 188.74,875 88.562,878 82.398,879 22.229,880 66.334,881 33.571,882 155.169,883 82.398,884 188.74,885 88.562,887 0.591,888 0.366,889 0.212,890 0.12,891 22,892 10,893 0.079,894 3,895 2,896 1.222,897 3.467,898 213.839,899 0.222,900 18,901 110.039,904 14.632,905 5.302,906 2.162,907 2.399,908 155.169,909 11.656,911 5.898,914 0.797,916 118.938,917 359.7,918 39,922 22.562,924 3.064,925 -1.091,926 36.149,927 38.993,928 0.33,929 0.703,930 0.835,931 0.978,932 1,933 1,934 4.934,935 1.354,936 5.82,937 4.387,938 4.394,939 5.088,940 1.906,941 6.723,942 4.346,943 6.197,944 1.208,945 7.435,946 2.936,947 4.111,948 5.085,950 7.794,951 4.037,952 7.547,953 1,954 9.152,955 2.893,956 6.071,957 7.47,958 2.38,959 10.956,960 5.983,961 8.94,962 0.489,963 10.927,964 2.385,965 6.621,966 8.324,968 12.871,969 6.508,970 10.367,971 0.247,972 12.74,973 1.298,974 8.077,975 10.183,976 2.976,977 15.563,978 7.948,979 11.82,980 -0.33,981 14.579,982 0.418,983 8.994,984 11.423,986 17.817,987 8.838,988 13.294,989 -0.609,990 16.436,991 -0.772,992 10.267,993 13.081,994 3.641,995 20.36,996 10.094,997 3.364,998 -0.843,999 18.309,1000 -1.473,1001 11.341,1002 14.492,1004 22.749,1005 11.141,1006 3.051,1007 12.188,1008 20.192,1009 -2,1010 12.552,1011 16.072,1012 4.338,1013 25.247,1014 12.331,1015 2.656,1016 10.515,1017 22.086,1018 4.742,1019 13.693,1020 17.556,1022 27.691,1023 13.445,1024 2.244,1025 8.26,1026 23.987,1027 4.467,1028 14.886,1029 19.109,1030 5.051,1031 30.178,1032 14.615,1033 1.98,1034 7.398,1035 25.895,1036 3.519,1037 16.056,1038 20.624,1040 32.646,1041 15.759,1042 1.767,1043 6.034,1044 27.808,1045 3.102,1046 17.246,1047 22.167,1048 5.77,1049 35.132,1050 16.925,1051 1.462,1052 5.188,1053 29.726,1054 2.761,1055 18.43,1056 23.696,1058 37.612,1059 18.083,1060 5488,1061 10402,1062 17.918,1063 24.881,1064 42.497,1065 43.763,1066 44.009,1067 41.716,1068 41.647,1069 59.088,1070 4.662,1071 127.799,1072 40.569,1073 5.476,1074 5.586,1075 6.743,1076 5.38,1077 5.364,1078 7.742,1079 2.873,1080 19.895,1081 5.284,1082 12.128,1083 1.574,1084 1.621,1085 1.63,1086 1.545,1087 1.542,1088 2.188,1089 0.173,1090 4.733,1091 1.503,1092 4.204,1093 4.232,1094 4.179,1095 4.116,1096 7.529,1097 4.128,1098 4.024,1099 4.053,1100 3.988,1101 3.944,1102 7.475,1103 3.95,1104 3.561,1105 3.577,1106 3.524,1107 3.421,1108 6.473,1109 3.437,1110 3.381,1111 3.421,1112 3.304,1113 3.194,1114 6.351,1115 3.218,1116 3.153,1117 3.174,1118 3.108,1119 2.917,1120 4.966,1121 2.945,1122 2.971,1123 3.018,1124 2.894,1125 2.809,1126 4.82,1127 2.806,1128 2.858,1129 2.912,1130 2.742,1131 2.559,1132 4.231,1133 2.606,1134 2.747,1135 2.791,1136 2.647,1137 2.34,1138 4.098,1139 2.435,1140 0.177,1141 0.133,1142 0.262,1143 0.161,1144 0.125,1145 4.781,1146 0.176,1147 3.586,1148 0.053,1149 7.062,1150 0.451,1151 4.341,1152 0.122,1153 3.364,1154 4.742,1155 1.437,1156 12.188,1157 3.284,1158 1.943,1159 1.927,1160 2.028,1161 2.028,1162 1.168,1163 2.025,1164 1.936,1165 1.913,1166 2.013,1167 2.014,1168 1.149,1169 2.018,1170 1.627,1171 1.593,1172 1.688,1173 1.824,1174 0.808,1175 1.785,1176 1.252,1177 1.202,1178 1.392,1179 1.539,1180 0.405,1181 1.496,1182 1.194,1183 1.192,1184 1.257,1185 1.481,1186 0.3,1187 1.398,1188 0.971,1189 0.927,1190 1.157,1191 1.165,1192 0.26,1193 1.145,1194 0.788,1195 0.726,1196 1.07,1197 1.063,1198 0.103,1199 1.052,1200 0.731,1201 0.675,1202 0.987,1203 0.984,1205 1.003,1206 4.007,1208 5.371,1209 3.045,1210 6.934,1211 5.533,1212 8.59,1213 7.735,1214 10.294,1221 19.383,1231 25.031,1232 59.229,1233 126.222,1234 149.873,1235 175.525,1236 179.525,1237 179.525,1238 46.317,1239 7.585,1240 118.54,1241 118.54,1242 22,1243 12.804,1244 4.524,1245 3.7,1246 33.622,1247 72,1248 72,1249 0.236,1250 151.361,1251 251.38,1252 361.08,1253 18462,1255 16.845,1256 0.702,1257 0.508,1258 16.845,1259 12.2,1260 11.597,1261 0.43,1262 0.264,1263 7.019,1264 11.109,1265 6.924,1266 5.697,1267 11.597,1268 7.123,1269 10.711,1270 0.268,1271 0.135,1272 10.711,1273 5.4,1274 9.466,1275 0.163,1276 0.07,1277 9.466,1278 4.046,1279 8.446,1280 0.102,1281 0.036,1282 8.446,1283 2.967,1284 7.009,1285 0.065,1286 0.019,1287 7.009,1288 2.021,1289 0.353,1290 73.393,1291 0.236,1292 22.673,1293 0.701,1294 134,1295 450.081,1296 147.577,1297 436.752,1298 588.28,1299 402,1300 165,1301 436.591,1302 178.111,1303 440.283,1304 645.69,1305 414,1306 6.509} {0 CHEMBL2321953,1 1.805,2 9.192,3 4.934,4 24.345,5 98.916,6 10.901,7 0.69,8 3.801,9 3.878,10 3.675,11 3.402,12 5.128,13 3.416,14 4.26,15 4.355,16 4.115,17 3.825,18 5.543,19 3.819,20 4.461,21 4.574,22 4.312,23 3.947,24 5.764,25 3.934,26 4.587,27 4.718,28 4.303,29 3.947,30 5.944,31 3.928,32 4.523,33 4.659,34 4.188,35 3.799,36 5.928,37 3.814,38 4.489,39 4.649,40 4.111,41 3.73,42 5.97,43 3.72,44 4.337,45 4.484,46 4.029,47 3.612,48 5.818,49 3.57,50 4.105,51 4.289,52 3.816,53 3.365,54 5.383,55 3.295,56 0.199,57 0.533,58 2.531,59 3.01,60 17.569,61 2.739,62 0.396,63 0.827,64 6.322,65 5.275,66 32.305,67 5.167,68 0.377,69 1.02,70 13.039,71 6.726,72 33.366,73 6.534,74 0.657,75 1.123,76 20.536,77 7.852,78 67.04,79 6.874,80 0.632,81 1.052,82 17.37,83 7.026,84 67.036,85 6.099,86 0.731,87 0.991,88 19.525,89 7.054,90 79.682,91 7.317,92 0.684,93 0.812,94 17.499,95 6.429,96 92.772,97 5.799,98 0.398,99 0.663,100 12.549,101 5.26,102 40.077,103 5.183,104 31,105 43,106 0.315,107 0.706,108 0.814,109 0.894,110 0.894,111 0.894,112 3.306,113 0.87,114 -3.91,115 -3.87,116 -3.67,117 1,119 47.4,123 1,133 6,134 4,135 2,143 3,144 1,147 1,155 1,159 8,161 1,162 3,165 1,166 6,168 8,172 7,174 1,176 7,178 7,182 9,185 1,186 2,187 4,190 6,194 5,197 2,199 6,202 5,205 2,206 3,209 4,211 6,213 5,216 2,217 5,222 4,224 6,229 4,237 6,242 2,245 4,250 4,255 936,256 17.671,257 17.671,258 17.671,259 17.671,260 17.671,261 15.205,262 12.516,263 9.972,264 18.17,265 14.147,266 14.147,267 14.147,268 14.147,269 14.147,270 10.181,271 9.791,272 4.504,273 14.862,274 3.443,275 1.205,276 0.586,277 0.125,278 0.125,279 0.125,280 3.998,284 1,285 518,286 3.162,288 96.489,289 124.82,291 185.829,295 1.515,296 33.642,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 57.25,307 239,308 4.799,309 3.655,310 7.087,311 4.353,312 3.381,313 4.77,314 1.674,315 12.277,316 3.288,317 4.558,318 3.456,319 6.66,320 4.065,321 3.094,322 4.515,323 0.894,324 10.717,325 3.003,326 4.079,327 3.205,328 6.098,329 3.703,330 2.722,331 3.576,333 8.724,334 2.657,335 3.829,336 2.793,337 5.931,338 3.379,339 2.445,340 3.288,342 8.096,343 2.255,344 3.448,345 2.527,346 5.372,347 2.976,348 2.023,349 2.807,351 6.305,352 1.91,353 3.238,354 2.084,355 4.967,356 2.741,357 1.807,358 2.554,360 5.282,361 1.67,362 3.105,363 2.019,364 4.85,365 2.602,366 1.664,367 2.347,369 5.059,370 1.514,371 2.876,372 1.762,373 4.245,374 2.381,375 1.417,376 2.024,378 3.633,379 1.351,380 2.798,381 1.605,382 4.107,383 2.316,384 1.346,385 1.872,386 3.359,387 1.29,388 2.57,389 1.461,390 3.766,391 2.013,392 1.048,393 1.482,394 2.537,395 0.997,396 2.163,397 1.415,398 3.486,399 1.604,400 0.694,401 0.991,402 1.815,403 0.589,404 1.932,405 0.988,406 2.896,407 1.274,408 0.327,409 0.47,411 0.533,412 0.303,413 1.472,414 0.705,415 2.561,416 1.088,417 0.135,418 0.18,420 0.191,421 0.127,422 1.216,423 0.283,424 2.55,425 0.74,426 -0.125,427 -0.16,429 -0.285,430 -0.086,431 0.946,432 -0.093,433 2.416,434 0.437,435 -0.517,436 -0.702,438 -1.194,439 -0.416,440 12.867,441 0.495,442 0.713,443 0.027,444 37,445 1.423,446 20,447 0.769,448 17,449 0.654,450 20.077,451 0.772,452 26.133,453 0.688,454 27.751,455 1.067,456 7.372,457 0.284,458 5.173,459 0.199,460 0.22,462 0.427,466 0.751,467 0.962,468 0.47,469 0.662,470 0.616,471 0.668,472 0.656,473 0.995,474 0.555,475 0.687,476 0.485,477 0.718,478 0.76,479 1.231,480 0.893,481 1.054,482 0.688,483 0.983,484 1.143,485 1.056,486 1.087,487 0.995,488 1.16,489 1.004,490 1.203,491 1.148,492 0.743,493 1.008,494 1.252,495 0.999,496 0.836,497 0.956,498 0.737,499 0.916,500 0.968,501 0.946,502 1.158,503 0.977,504 1.086,505 0.985,506 1.279,507 1.049,508 0.976,509 0.919,510 0.94,511 1.032,512 0.984,513 1.098,514 5,515 0.09,516 3.778,517 2.806,518 1.922,519 1.292,520 0.734,521 0.442,522 0.241,523 0.164,524 7007,525 26157,526 2.078,527 31.6,529 9,532 3,536 1.696,537 1.902,538 3.174,539 1.012,545 68.588,546 1.805,547 4.043,548 4.662,549 5.123,550 5.123,551 5.123,552 2.701,553 4.624,554 4.67,555 3.308,556 1075.03,557 8.125,558 12675.2,560 1,563 199.421,564 1.513,565 4.611,566 0.172,567 0.009,568 0.088,569 0.06,570 0.043,571 0.032,572 0.02,573 0.015,574 0.012,575 0.01,576 0.461,577 0.33,578 1,579 1.104,580 123.938,581 -0.053,582 0.104,583 -0.009,584 0.098,585 -0.042,586 0.082,587 0.067,588 0.019,589 0.022,590 0.135,591 0.046,592 0.113,593 -0.04,594 -0.209,595 -0.023,596 -0.153,597 -0.009,598 -0.105,599 -0.164,600 -0.033,601 -0.098,602 -0.047,603 -0.144,604 -0.1,605 -0.148,606 -0.124,607 -0.028,608 -0.137,609 -0.143,610 -0.109,611 0.192,612 0.045,613 0.022,614 -0.005,615 0.139,616 0.028,617 -0.042,618 -0.028,619 -0.034,620 0.025,621 -0.008,622 -0.058,623 -0.073,624 0.042,625 0.074,626 -0.024,627 -0.046,628 -0.028,629 2.176,630 4.767,631 0.692,632 20.385,633 1.033,634 1.112,635 2.679,636 7.179,637 0.737,638 3.401,639 3.784,640 4.159,641 4.5,642 4.762,643 4.942,644 5.118,645 5.288,646 5.347,647 5.403,648 5.467,649 0.726,650 414.23,651 3.401,652 4.977,653 5.878,654 6.801,655 7.724,656 8.656,657 9.587,658 10.523,659 11.457,660 12.395,661 7.9,669 2,673 1,674 4,675 6,677 2,680 6,682 20,690 1,693 1,696 1,698 1,699 38,700 22,701 2,702 29,703 1,704 41,705 18,706 16,707 6,708 6,709 1,710 4,711 6,721 17,722 1,724 2,728 2,730 1,731 1,736 12,737 5,738 3,739 8,740 1,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,777 2,780 1,781 1,785 26,788 1,791 1,800 1,801 10.5,803 1,804 2,806 1,808 13.667,809 7.293,810 5.75,811 2.065,812 4.27,813 1.549,814 1.013,815 4.151,816 12.042,817 3.738,818 4.449,819 5.19,820 5.905,821 6.512,822 7.022,823 7.548,824 8.071,825 8.43,826 8.849,827 1,828 47,829 9.577,831 4.256,832 8.061,833 17.614,835 14.679,837 2.561,838 66.583,842 105.94,843 99.306,844 98.809,846 104.202,849 145.26,850 210.142,851 52.855,852 10.883,854 56.857,855 100.393,856 61.9,857 26.329,858 105.94,859 45.954,860 105.94,861 152.161,862 104.202,864 45.954,865 105.94,866 104.202,869 33.571,870 99.306,871 19.284,872 45.954,873 105.94,874 157.056,875 145.26,878 105.94,879 31.565,880 67.741,881 79.525,882 123.485,883 105.94,884 157.056,885 145.26,887 0.59,888 0.375,889 0.211,890 0.117,891 23,892 11,893 0.098,894 4,895 2,896 1.222,897 3.594,898 238.227,899 0.222,900 18,901 122.211,904 16.972,905 6.359,906 2.598,907 2.514,908 123.485,909 10.297,911 6.012,914 1.923,916 76.254,917 408.256,918 41,922 23.343,924 3.141,925 -0.509,926 39.262,927 42.25,928 0.344,929 0.77,930 0.888,931 0.976,932 0.976,933 0.976,934 4.99,935 1.417,936 5.9,937 5.059,938 4.466,939 5.136,940 2.105,941 6.81,942 4.378,943 6.255,944 1.346,945 7.523,946 3.633,947 4.205,948 5.165,950 7.897,951 4.069,952 7.609,953 1.048,954 9.247,955 3.359,956 6.155,957 7.525,958 2.89,959 11.058,960 6.012,961 9.007,962 0.694,963 11.027,964 2.537,965 6.723,966 8.403,968 12.975,969 6.541,970 10.439,971 0.327,972 12.843,973 1.815,974 8.168,975 10.246,976 3.831,977 15.67,978 7.977,979 11.896,980 0.135,981 14.684,982 0.533,983 9.094,984 11.502,986 17.922,987 8.869,988 13.373,989 -0.125,990 16.544,991 0.191,992 10.363,993 13.154,994 4.831,995 20.469,996 10.122,997 3.381,998 -0.517,999 18.418,1000 -0.285,1001 11.442,1002 14.575,1004 22.858,1005 11.171,1006 3.094,1007 12.277,1008 20.303,1009 -1.194,1010 12.652,1011 16.156,1012 5.852,1013 25.359,1014 12.36,1015 2.722,1016 10.717,1017 22.198,1018 4.77,1019 13.796,1020 17.647,1022 27.806,1023 13.475,1024 2.445,1025 8.724,1026 24.099,1027 4.515,1028 14.99,1029 19.203,1030 6.88,1031 30.296,1032 14.645,1033 2.023,1034 8.096,1035 26.008,1036 3.576,1037 16.163,1038 20.725,1040 32.768,1041 15.789,1042 1.807,1043 6.305,1044 27.921,1045 3.288,1046 17.355,1047 22.273,1048 7.91,1049 35.259,1050 16.956,1051 1.664,1052 5.282,1053 29.84,1054 2.807,1055 18.542,1056 23.809,1058 37.744,1059 18.114,1060 6810,1061 13252,1062 19.016,1063 27.994,1064 44.978,1065 47.405,1066 47.898,1067 44.423,1068 44.206,1069 61.752,1070 5.138,1071 137.056,1072 41.907,1073 5.499,1074 5.655,1075 6.631,1076 5.394,1077 5.381,1078 7.77,1079 3.349,1080 20.017,1081 5.288,1082 14.401,1083 1.551,1084 1.635,1085 1.652,1086 1.532,1087 1.524,1088 2.129,1089 0.177,1090 4.726,1091 1.445,1092 4.205,1093 4.231,1094 6.881,1095 4.124,1096 7.529,1097 4.132,1098 4.027,1099 4.052,1100 4.164,1101 3.957,1102 7.433,1103 3.958,1104 3.587,1105 3.599,1106 3.955,1107 3.441,1108 6.473,1109 3.454,1110 3.399,1111 3.437,1112 3.536,1113 3.217,1114 4.967,1115 3.237,1116 3.247,1117 3.303,1118 3.286,1119 2.996,1120 4.818,1121 3.017,1122 3.054,1123 3.113,1124 3.152,1125 2.924,1126 4.501,1127 2.868,1128 2.944,1129 2.975,1130 2.946,1131 2.821,1132 4.221,1133 2.818,1134 2.781,1135 2.828,1136 2.713,1137 2.466,1138 4.093,1139 2.488,1140 0.165,1141 0.126,1142 0.244,1143 0.15,1144 0.117,1145 4.799,1146 0.164,1147 3.655,1148 0.058,1149 7.087,1150 0.423,1151 4.353,1152 0.113,1153 3.381,1154 4.77,1155 1.674,1156 12.277,1157 3.288,1158 1.943,1159 1.928,1160 2.014,1161 2.029,1162 1.174,1163 2.024,1164 1.934,1165 1.916,1166 1.982,1167 1.994,1168 1.153,1169 2.001,1170 1.626,1171 1.595,1172 1.675,1173 1.821,1174 0.808,1175 1.781,1176 1.302,1177 1.279,1178 1.596,1179 1.622,1180 0.584,1181 1.599,1182 1.251,1183 1.201,1184 1.384,1185 1.534,1186 0.401,1187 1.49,1188 1.044,1189 0.977,1190 1.203,1191 1.302,1192 0.299,1193 1.274,1194 0.966,1195 0.919,1196 1.151,1197 1.13,1198 0.26,1199 1.132,1200 0.764,1201 0.722,1202 1,1203 0.994,1204 0.073,1205 1,1206 4.078,1208 5.442,1209 3.045,1210 7.011,1211 5.533,1212 8.672,1213 7.743,1214 10.383,1215 3.431,1216 1.288,1221 10.424,1224 4.72,1231 27.583,1232 68.588,1233 153.647,1234 177.157,1235 194.666,1236 194.666,1237 194.666,1238 50.176,1239 7.772,1240 107.54,1241 107.54,1242 22,1243 12.893,1244 4.524,1245 3.7,1246 37.816,1247 84,1248 96,1249 0.227,1250 172.867,1251 287.96,1252 413.555,1253 23202,1254 2.6,1255 18.422,1256 0.709,1257 0.579,1258 19.422,1259 15.047,1260 12.545,1261 0.433,1262 0.29,1263 7.536,1264 11.442,1265 7.334,1266 6.045,1267 13.123,1268 8.41,1269 11.38,1270 0.265,1271 0.152,1272 12.122,1273 6.557,1274 10.451,1275 0.166,1276 0.079,1277 11.168,1278 4.958,1279 9.018,1280 0.101,1281 0.04,1282 9.605,1283 3.585,1284 7.435,1285 0.064,1286 0.021,1287 7.992,1288 2.434,1289 0.342,1290 87.994,1291 0.229,1292 24.358,1293 0.666,1294 144,1295 492.322,1296 224.223,1297 508.853,1298 677.03,1299 470,1300 178,1301 472.839,1302 227.464,1303 490.494,1304 721.11,1305 459,1306 5} {0 CHEMBL2321954,1 1.913,2 10.034,3 5.128,4 26.296,5 97.267,6 9.838,7 0.625,8 3.89,9 3.969,10 3.651,11 3.41,12 5.279,13 3.469,14 4.397,15 4.495,16 4.13,17 3.82,18 6.178,19 3.875,20 4.549,21 4.664,22 4.185,23 3.941,24 5.981,25 3.991,26 4.747,27 4.887,28 4.269,29 3.949,30 6.296,31 4.019,32 4.726,33 4.871,34 4.208,35 3.848,36 6.289,37 3.943,38 4.632,39 4.789,40 4.09,41 3.737,42 6.383,43 3.795,44 4.492,45 4.65,46 3.881,47 3.605,48 6.108,49 3.652,50 4.356,51 4.539,52 3.737,53 3.401,54 5.933,55 3.468,56 0.379,57 0.82,58 3.984,59 3.572,60 51.909,61 2.891,62 1.111,63 1.659,64 9.467,65 6.146,66 163.679,67 5.297,68 0.762,69 1.5,70 9.617,71 7.151,72 100.572,73 6.583,74 1.306,75 1.764,76 16.084,77 7.962,78 161.22,79 6.779,80 1.366,81 1.715,82 17.187,83 8.03,84 198.761,85 6.367,86 1.449,87 1.285,88 17.908,89 7.275,90 214.982,91 7.311,92 1.204,93 1.242,94 15.18,95 6.306,96 168.445,97 5.739,98 0.97,99 1.227,100 13.708,101 5.654,102 134.965,103 5.295,104 60,105 49,106 0.329,107 0.71,108 0.809,109 0.883,110 0.883,111 0.883,112 3.409,113 0.773,114 -4.13,115 -4.08,116 -3.86,119 46.3,123 1,127 1,133 6,134 5,135 1,143 3,144 1,147 1,155 1,159 9,161 1,162 3,165 1,166 7,168 9,172 7,174 1,176 6,178 7,182 9,185 1,186 2,187 5,190 4,194 5,197 2,199 6,202 5,205 2,206 4,209 4,211 5,213 6,216 2,217 5,222 4,224 7,229 3,237 6,242 2,245 4,250 2,255 1260,256 19.143,257 19.143,258 19.143,259 19.143,260 19.143,261 16.768,262 15.326,263 10.666,264 19.758,265 15.642,266 15.642,267 15.642,268 15.642,269 15.642,270 11.732,271 13.269,272 4.836,273 16.55,274 3.445,275 1.232,276 0.659,277 0.232,278 0.232,279 0.232,280 4.096,284 1,285 621,286 4,288 110.116,289 143.739,291 213.094,295 1.56,296 62.242,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 68,307 291,308 4.829,309 4.47,310 7.323,311 4.41,312 3.469,313 4.783,314 3.825,315 12.751,316 3.32,317 4.622,318 3.655,319 7.015,320 4.214,321 3.282,322 4.534,323 1.674,324 11.848,325 3.087,326 4.285,327 3.424,328 6.58,329 3.929,330 2.987,331 3.687,332 0.894,333 10.372,334 2.78,335 4.035,336 3.111,337 6.02,338 3.665,339 2.687,340 3.451,342 8.525,343 2.59,344 3.597,345 2.528,346 5.79,347 3.178,348 2.23,349 2.926,351 7.607,352 2.085,353 3.396,354 2.435,355 5.317,356 2.934,357 1.987,358 2.715,360 6.142,361 1.865,362 3.2,363 2.084,364 4.904,365 2.71,366 1.771,367 2.483,369 5.214,370 1.654,371 2.989,372 1.856,373 4.802,374 2.491,375 1.541,376 2.161,378 4.804,379 1.441,380 2.838,381 1.685,382 4.212,383 2.354,384 1.38,385 1.984,386 3.524,387 1.334,388 2.793,389 1.544,390 4.104,391 2.311,392 1.345,393 1.861,394 3.319,395 1.285,396 2.553,397 1.46,398 3.766,399 1.994,400 1.024,401 1.449,402 2.49,403 0.989,404 2.057,405 1.413,406 3.499,407 1.544,408 0.596,409 0.85,411 1.665,412 0.561,413 1.932,414 0.821,415 2.959,416 1.271,417 0.319,418 0.463,420 0.516,421 0.3,422 1.471,423 0.638,424 2.761,425 1.088,426 0.135,427 0.179,429 0.191,430 0.127,431 1.105,432 0.51,433 2.56,434 0.686,435 -0.249,436 -0.318,438 -0.61,439 -0.23,440 12.89,441 0.444,442 1.001,443 0.035,444 39.25,445 1.353,446 20,447 0.69,448 19.25,449 0.664,450 21.876,451 0.754,452 31.51,453 0.769,454 35.814,455 1.235,456 8.25,457 0.284,458 5.507,459 0.19,460 0.183,461 0.039,462 0.427,463 3,466 0.66,467 0.856,468 0.579,469 0.865,470 0.621,471 0.745,472 0.494,473 0.706,474 0.559,475 0.799,476 0.401,477 0.766,478 0.661,479 0.996,480 0.69,481 1.153,482 0.6,483 1.037,484 0.975,485 0.93,486 0.995,487 1.002,488 0.997,489 1.01,490 1.26,491 1.175,492 1.11,493 1.1,494 1.244,495 1.027,496 0.729,497 0.789,498 0.888,499 0.917,500 0.763,501 0.975,502 0.975,503 0.808,504 1.123,505 0.938,506 1.053,507 1.059,508 1.114,509 1.058,510 1.114,511 1.101,512 1.159,513 1.095,514 7,515 0.167,516 4.444,517 3.431,518 2.129,519 1.942,520 0.857,521 0.548,522 0.507,523 0.215,524 9188,525 39810,526 2.021,527 29.3,529 9,532 3,536 1.725,537 1.822,538 3.281,539 0.994,545 78.42,546 1.913,547 4.125,548 4.699,549 5.126,550 5.126,551 5.126,552 2.767,553 4.349,554 4.828,555 3.437,556 1395.35,557 8.44,558 17799.4,563 219.66,564 1.723,565 4.745,566 0.219,567 0.01,568 0.091,569 0.065,570 0.039,571 0.039,572 0.02,573 0.016,574 0.017,575 0.009,576 0.525,577 0.33,578 1,579 1.169,580 143.81,581 -0.056,582 0.018,583 -0.017,584 0.096,585 -0.08,586 0.086,587 0.304,588 0.305,589 0.149,590 0.198,591 0.325,592 0.112,593 -0.039,594 -0.171,595 0.018,596 -0.194,597 -0.001,598 -0.112,599 -0.106,600 -0.007,601 -0.12,602 -0.067,603 -0.124,604 -0.095,605 -0.27,606 -0.178,607 -0.163,608 -0.146,609 -0.24,610 -0.097,611 0.173,612 0.022,613 0.124,614 0.024,615 0.147,616 0.031,617 -0.041,618 0.052,619 -0.12,620 0.013,621 -0.087,622 -0.065,623 -0.103,624 -0.018,625 -0.033,626 -0.126,627 -0.13,628 -0.065,629 5.893,630 5.306,631 0.621,632 24.946,633 1.06,634 1.143,635 2.905,636 8.436,637 0.688,638 3.497,639 3.912,640 4.248,641 4.595,642 4.86,643 5.063,644 5.268,645 5.416,646 5.529,647 5.62,648 5.937,649 0.713,650 403.34,651 3.497,652 5.094,653 5.989,654 6.927,655 7.847,656 8.789,657 9.718,658 10.663,659 11.597,660 12.543,661 7.3,669 2,673 1,674 4,675 6,677 2,680 6,682 20,690 1,693 1,696 1,699 41,700 22,701 2,702 32,704 44,705 19,706 16,707 6,708 6,709 1,710 4,711 6,715 1,718 1,721 17,722 2,724 2,728 2,730 1,731 1,734 3,736 12,737 8,738 3,739 10,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,777 2,781 1,783 3,785 29,788 1,791 1,795 1,800 3,801 9.8,803 1,804 2,806 1,808 15.917,809 7.829,810 6.25,811 2.199,812 4.325,813 1.538,814 1.004,815 4.451,816 12.361,817 3.807,818 4.516,819 5.239,820 5.959,821 6.57,822 7.092,823 7.636,824 8.141,825 8.536,826 8.98,827 0.857,828 53,829 11.323,831 5.676,832 8.572,833 18.966,835 15.854,837 3.072,838 89.083,841 1,842 105.94,843 107.196,844 52.855,846 104.202,847 44.88,849 107.196,850 210.142,851 97.735,852 10.883,854 56.857,855 100.393,856 106.911,857 26.329,858 105.94,859 7.76,860 105.94,861 160.05,862 149.082,865 105.94,866 149.082,869 41.331,870 99.436,871 19.284,873 150.82,874 157.056,875 107.196,878 113.699,879 31.696,880 67.741,881 33.571,882 168.366,883 105.94,884 201.937,885 107.196,887 0.601,888 0.366,889 0.203,890 0.113,891 26,892 13,893 0.091,894 4,895 2,896 1.222,897 3.745,898 278.196,899 0.222,900 18,901 136.127,904 19.186,905 6.728,906 2.994,907 0.404,908 168.366,909 7.816,911 5.219,914 -1.503,916 76.254,917 415.072,918 44,922 23.324,924 2.979,925 -0.628,926 43.454,927 46.843,928 0.357,929 0.77,930 0.877,931 0.957,932 0.957,933 0.957,934 5.088,935 1.541,936 6.052,937 5.214,938 4.595,939 5.204,940 3.334,941 6.997,942 4.496,943 6.369,944 1.38,945 7.704,946 4.804,947 4.511,948 5.293,949 3.903,950 8.263,951 4.298,952 7.739,953 1.345,954 9.461,955 3.524,956 6.361,957 7.588,958 5.493,959 11.366,960 6.165,961 9.15,962 1.024,963 11.279,964 3.319,965 7.057,966 8.489,967 6.69,968 13.404,969 6.757,970 10.592,971 0.596,972 13.134,973 2.49,974 8.464,975 10.306,976 8.072,977 16.095,978 8.16,979 12.058,980 0.319,981 15.015,982 1.665,983 9.471,984 11.569,985 9.388,986 18.422,987 9.084,988 13.542,989 0.135,990 16.913,991 0.516,992 10.737,993 13.21,994 10.737,995 20.988,996 10.325,997 3.469,998 -0.249,999 18.826,1000 0.191,1001 11.866,1002 14.633,1003 12.074,1004 23.427,1005 11.388,1006 3.282,1007 12.751,1008 20.749,1009 -0.61,1010 13.089,1011 16.209,1012 13.417,1013 25.957,1014 12.575,1015 2.987,1016 11.848,1017 22.68,1018 4.783,1019 14.268,1020 17.702,1021 14.758,1022 28.442,1023 13.699,1024 2.687,1025 10.372,1026 24.618,1027 4.534,1028 15.481,1029 19.256,1030 16.1,1031 30.963,1032 14.87,1033 2.23,1034 8.525,1035 26.563,1036 3.687,1037 16.681,1038 20.779,1039 17.441,1040 33.468,1041 16.021,1042 1.987,1043 7.607,1044 28.511,1045 3.451,1046 17.895,1047 22.328,1048 18.783,1049 35.989,1050 17.191,1051 1.771,1052 6.142,1053 30.464,1054 2.926,1055 19.106,1056 23.865,1057 20.124,1058 38.505,1059 18.355,1060 9030,1061 18919,1062 20.403,1063 28.216,1064 50.692,1065 51.701,1066 53.164,1067 49.761,1068 49.504,1069 67.053,1070 12.788,1071 157.941,1072 46.835,1073 5.529,1074 6.47,1075 6.866,1076 5.451,1077 5.469,1078 7.783,1079 5.5,1080 20.739,1081 5.32,1082 18.361,1083 1.584,1084 1.616,1085 1.661,1086 1.555,1087 1.547,1088 2.095,1089 0.4,1090 4.936,1091 1.464,1092 4.212,1093 4.238,1094 4.19,1095 4.123,1096 8.513,1097 4.136,1098 4.038,1099 4.065,1100 4.01,1101 3.955,1102 7.999,1103 3.964,1104 3.605,1105 3.621,1106 3.58,1107 3.446,1108 7.999,1109 3.468,1110 3.457,1111 3.487,1112 3.445,1113 3.224,1114 7.529,1115 3.261,1116 3.278,1117 3.329,1118 3.225,1119 3.025,1120 7.433,1121 3.063,1122 3.247,1123 3.302,1124 3.152,1125 2.987,1126 6.473,1127 3.012,1128 3.052,1129 3.112,1130 2.944,1131 2.821,1132 4.959,1133 2.822,1134 2.814,1135 2.859,1136 2.7,1137 2.494,1138 4.79,1139 2.535,1140 0.151,1141 0.14,1142 0.229,1143 0.138,1144 0.108,1145 4.829,1146 0.149,1147 4.47,1148 0.12,1149 7.323,1150 0.398,1151 4.41,1152 0.104,1153 3.469,1154 4.783,1155 3.825,1156 12.751,1157 3.32,1158 1.953,1159 1.936,1160 2.019,1161 2.04,1162 1.193,1163 2.032,1164 1.941,1165 1.923,1166 2.014,1167 2.027,1168 1.156,1169 2.022,1170 1.635,1171 1.604,1172 1.687,1173 1.829,1174 0.822,1175 1.788,1176 1.302,1177 1.279,1178 1.596,1179 1.622,1180 0.584,1181 1.599,1182 1.257,1183 1.209,1184 1.39,1185 1.534,1186 0.415,1187 1.49,1188 1.044,1189 0.991,1190 1.203,1191 1.422,1192 0.299,1193 1.307,1194 1.032,1195 0.976,1196 1.157,1197 1.302,1198 0.261,1199 1.274,1200 0.953,1201 0.91,1202 1.104,1203 1.128,1204 0.139,1205 1.128,1206 4.174,1208 5.565,1209 3.045,1210 7.148,1211 5.533,1212 8.818,1213 7.743,1214 10.538,1216 1.205,1218 39.918,1221 10.343,1224 4.65,1228 -4.643,1231 29.234,1232 78.42,1233 169.13,1234 192.64,1235 210.15,1236 210.15,1237 210.15,1238 81.943,1239 8.036,1240 107.54,1241 107.54,1242 22,1243 13.037,1244 4.524,1245 3.7,1246 44.481,1247 102,1248 117,1249 0.219,1250 174.14,1251 304.19,1252 416.661,1253 32067,1254 7.3,1255 20.922,1256 0.721,1257 0.507,1258 18.422,1259 14.717,1260 13.757,1261 0.43,1262 0.258,1263 8.039,1264 12.896,1265 7.94,1266 6.505,1267 12.545,1268 8.245,1269 13.376,1270 0.273,1271 0.128,1272 11.38,1273 6.266,1274 11.205,1275 0.162,1276 0.067,1277 10.451,1278 4.653,1279 9.799,1280 0.1,1281 0.035,1282 9.018,1283 3.391,1284 8.037,1285 0.063,1286 0.018,1287 7.435,1288 2.291,1289 0.333,1290 89.141,1291 0.221,1292 26.735,1293 0.638,1294 162,1295 750,1296 193.369,1297 635.196,1298 825.65,1299 584,1300 199,1301 583.106,1302 224.083,1303 568.607,1304 855.93,1305 531,1306 5} {0 CHEMBL2321955,1 1.883,2 9.296,3 5.152,4 26.538,5 91.477,6 10.286,7 0.667,8 3.768,9 3.85,10 3.568,11 3.346,12 5.205,13 3.398,14 4.256,15 4.347,16 4.053,17 3.765,18 6.079,19 3.812,20 4.459,21 4.584,22 4.096,23 3.877,24 5.886,25 3.917,26 4.614,27 4.767,28 4.184,29 3.859,30 6.188,31 3.924,32 4.594,33 4.747,34 4.118,35 3.718,36 6.218,37 3.828,38 4.429,39 4.574,40 3.954,41 3.578,42 6.295,43 3.652,44 4.288,45 4.449,46 3.714,47 3.443,48 5.944,49 3.494,50 4.132,51 4.317,52 3.576,53 3.22,54 5.803,55 3.287,56 0.313,57 0.779,58 2.698,59 2.841,60 50.024,61 2.119,62 0.871,63 1.606,64 5.061,65 5.036,66 152.341,67 4.021,68 0.663,69 1.441,70 7.542,71 6.192,72 104.968,73 5.608,74 1.022,75 1.69,76 11.777,77 6.74,78 144.441,79 5.814,80 1.191,81 1.606,82 14.08,83 6.854,84 204.686,85 5.069,86 1.191,87 1.163,88 12.014,89 5.785,90 196.644,91 4.848,92 0.907,93 1.117,94 10.676,95 5.063,96 151.641,97 4.089,98 0.795,99 1.108,100 10.688,101 4.842,102 129.809,103 4.609,104 46,105 46,106 0.33,107 0.694,108 0.798,109 0.884,110 0.884,111 0.884,112 3.342,113 0.765,114 -3.86,115 -3.82,116 -3.62,119 50,127 1,133 6,134 5,135 1,143 3,144 1,147 1,155 1,159 9,162 2,165 1,166 7,168 9,172 5,174 1,176 6,178 7,182 7,185 1,186 2,187 5,190 4,194 5,197 2,199 6,202 5,205 1,206 4,209 3,211 5,213 6,216 1,217 4,222 4,224 7,229 2,237 6,242 1,245 2,250 2,255 1022,256 17.936,257 17.936,258 17.936,259 17.936,260 17.936,261 15.561,262 15.387,263 10.024,264 18.405,265 14.681,266 14.681,267 14.681,268 14.681,269 14.681,270 10.794,271 13.515,272 4.555,273 15.501,274 3.287,275 1.216,276 0.618,277 0.132,278 0.132,279 0.132,280 4.03,284 1,285 539,286 3.606,288 97.799,289 129.938,291 191.408,295 1.388,296 55.793,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 62.5,307 251,308 4.828,309 4.47,310 7.322,311 4.41,312 3.469,313 4.783,314 3.825,315 12.751,316 3.319,317 4.618,318 4.058,319 7.014,320 4.209,321 3.279,322 4.531,323 2.035,324 11.845,325 3.075,326 4.277,327 3.429,328 6.573,329 3.906,330 2.969,331 3.668,332 0.894,333 10.346,334 2.736,335 3.924,336 3.119,337 5.845,338 3.414,339 2.44,340 3.311,342 7.864,343 2.363,344 3.579,345 2.582,346 5.387,347 3.101,348 2.152,349 2.862,351 6.666,352 2.015,353 3.394,354 2.44,355 5.176,356 2.905,357 1.95,358 2.71,360 6.03,361 1.849,362 3.2,363 2.25,364 4.903,365 2.706,366 1.767,367 2.472,369 5.202,370 1.65,371 3.025,372 1.981,373 4.787,374 2.436,375 1.481,376 2.095,378 4.721,379 1.392,380 2.859,381 1.704,382 4.184,383 2.344,384 1.366,385 1.982,386 3.373,387 1.33,388 2.828,389 1.562,390 3.771,391 2.001,392 1.028,393 1.474,394 2.49,395 0.996,396 2.555,397 1.414,398 3.501,399 1.629,400 0.679,401 1.129,402 1.749,403 0.642,404 2.059,405 0.822,406 3.01,407 1.44,408 0.485,409 0.79,411 0.86,412 0.461,413 1.942,414 0.685,415 2.815,416 1.157,417 0.188,418 0.333,420 0.287,421 0.182,422 1.118,423 0.51,424 2.676,425 0.68,426 -0.251,427 -0.321,429 -0.603,430 -0.23,431 0.927,432 0.51,433 2.488,434 0.386,435 -0.588,436 -0.881,438 -1.289,439 -0.571,440 12.124,441 0.449,442 0.912,443 0.034,444 39.25,445 1.454,446 21.5,447 0.796,448 17.75,449 0.657,450 18.778,451 0.695,452 28.076,453 0.78,454 33.079,455 1.225,456 7.949,457 0.294,458 4.897,459 0.181,460 0.159,461 0.041,462 0.412,463 3,466 0.626,467 0.782,468 0.564,469 0.721,470 0.61,471 0.649,472 0.389,473 0.72,474 0.538,475 0.889,476 0.368,477 0.874,478 0.634,479 0.928,480 0.746,481 1.113,482 0.57,483 1.076,484 0.864,485 0.917,486 0.969,487 1.035,488 0.895,489 1.057,490 1.38,491 1.137,492 1.182,493 1.035,494 1.315,495 0.97,496 0.872,497 0.798,498 1.037,499 0.915,500 0.858,501 1.011,502 1.119,503 0.776,504 1.285,505 0.92,506 1.18,507 1.092,508 1.186,509 1.1,510 1.115,511 1.092,512 1.25,513 1.086,514 6.5,515 0.13,516 3.778,517 3.306,518 2.089,519 1.765,520 0.72,521 0.476,522 0.44,523 0.15,524 7526,525 32779,526 2.044,527 25,529 6,532 3,536 1.707,537 1.851,538 3.174,539 1.018,545 67.774,546 1.883,547 3.954,548 4.551,549 5.038,550 5.038,551 5.038,552 2.652,553 4.357,554 4.726,555 3.311,556 1162.11,557 8.24,558 13999.5,563 186.117,564 1.72,565 4.648,566 0.217,567 0.013,568 0.082,569 0.067,570 0.042,571 0.038,572 0.019,573 0.016,574 0.018,575 0.008,576 0.52,577 0.5,578 1,579 1.011,580 130.01,581 -0.046,582 0.046,583 -0.037,584 0.167,585 -0.062,586 0.126,587 0.372,588 0.278,589 0.091,590 0.056,591 0.347,592 -0.06,593 -0.023,594 -0.164,595 0.017,596 -0.194,597 0.005,598 -0.13,599 -0.023,600 -0.019,601 -0.047,602 -0.108,603 -0.077,604 -0.103,605 -0.31,606 -0.169,607 -0.15,608 -0.069,609 -0.274,610 -0.005,611 0.112,612 0.026,613 -0.01,614 0.037,615 0.12,616 -0.021,617 -0.131,618 0.095,619 -0.225,620 0.053,621 -0.173,622 -0.065,623 -0.054,624 -0.043,625 0.108,626 -0.034,627 -0.14,628 0.058,629 5.873,630 5.249,631 0.667,632 20.957,633 1.059,634 1.141,635 2.626,636 6.898,637 0.716,638 3.434,639 3.85,640 4.19,641 4.554,642 4.82,643 5.004,644 5.193,645 5.338,646 5.429,647 5.493,648 5.5,649 0.744,650 370.31,651 3.434,652 5.03,653 5.927,654 6.868,655 7.789,656 8.735,657 9.665,658 10.612,659 11.547,660 12.493,661 11.1,669 2,670 1,673 1,674 4,675 6,677 2,680 6,682 20,683 1,693 1,696 1,699 36,700 22,701 2,702 30,704 39,705 18,706 16,707 6,708 6,710 4,711 6,715 1,718 1,720 1,721 16,722 1,724 1,728 1,730 1,734 3,736 9,737 7,738 3,739 9,743 4,747 0.5,748 2,756 2,759 2,760 2,762 2,777 2,783 3,785 27,788 1,795 1,796 1,798 1,799 1,800 3,801 5.6,803 1,804 1,808 14.583,809 6.695,810 5.806,811 1.999,812 4.422,813 1.562,814 1.027,815 3.727,816 12.296,817 3.784,818 4.483,819 5.223,820 5.951,821 6.564,822 7.083,823 7.623,824 8.124,825 8.52,826 8.956,827 1,828 49,829 10.524,831 5.325,832 8.59,833 17.613,835 14.917,837 3.09,838 83.417,842 70.627,843 105.723,844 83.914,846 68.057,847 44.88,849 105.723,850 138.683,851 128.794,854 56.857,855 84.659,856 126.97,857 26.329,858 70.627,859 7.76,860 70.627,861 189.637,862 112.937,865 70.627,866 112.937,869 72.39,870 97.964,871 19.284,873 115.507,874 151.971,875 105.723,878 78.386,879 24.504,880 56.857,881 50.173,882 163.28,883 70.627,884 196.851,885 105.723,887 0.599,888 0.364,889 0.209,890 0.119,891 25,892 12,893 0.051,894 2,895 2,896 1.222,897 3.605,898 253.941,899 0.222,900 18,901 123.627,904 17.144,905 5.87,906 2.559,907 0.573,908 163.28,909 8.029,911 5.234,914 -1.21,916 76.254,917 373.201,918 43,922 11.446,924 2.971,926 38.134,927 41.092,928 0.364,929 0.765,930 0.88,931 0.974,932 0.974,933 0.974,934 5.069,935 1.481,936 5.989,937 5.202,938 4.533,939 5.17,940 3.425,941 6.936,942 4.433,943 6.357,944 1.366,945 7.64,946 4.721,947 4.443,948 5.231,949 3.903,950 8.21,951 4.217,952 7.725,953 1.028,954 9.397,955 3.373,956 6.301,957 7.564,958 5.566,959 11.317,960 6.1,961 9.134,962 0.679,963 11.216,964 2.49,965 6.995,966 8.451,967 6.69,968 13.365,969 6.678,970 10.573,971 0.485,972 13.073,973 1.749,974 8.408,975 10.286,976 8.102,977 16.062,978 8.092,979 12.037,980 0.188,981 14.957,982 0.86,983 9.418,984 11.544,985 9.388,986 18.397,987 9.012,988 13.52,989 -0.251,990 16.859,991 0.287,992 10.689,993 13.193,994 10.747,995 20.968,996 10.26,997 3.469,998 -0.588,999 18.776,1000 -0.603,1001 11.823,1002 14.616,1003 12.074,1004 23.413,1005 11.325,1006 3.279,1007 12.751,1008 20.703,1009 -1.289,1010 13.051,1011 16.196,1012 13.42,1013 25.945,1014 12.517,1015 2.969,1016 11.845,1017 22.639,1018 4.783,1019 14.233,1020 17.69,1021 14.758,1022 28.433,1023 13.644,1024 2.44,1025 10.346,1026 24.582,1027 4.531,1028 15.45,1029 19.246,1030 16.101,1031 30.955,1032 14.82,1033 2.152,1034 7.864,1035 26.53,1036 3.668,1037 16.654,1038 20.77,1039 17.441,1040 33.463,1041 15.974,1042 1.95,1043 6.666,1044 28.482,1045 3.311,1046 17.871,1047 22.32,1048 18.783,1049 35.984,1050 17.148,1051 1.767,1052 6.03,1053 30.439,1054 2.862,1055 19.084,1056 23.857,1057 20.124,1058 38.501,1059 18.315,1060 7360,1061 15478,1062 19.304,1063 25.79,1064 48.909,1065 49.854,1066 49.459,1067 46.788,1068 46.506,1069 64.278,1070 13.509,1071 148.365,1072 44.02,1073 5.526,1074 6.47,1075 6.87,1076 5.45,1077 5.469,1078 7.783,1079 5.86,1080 20.739,1081 5.319,1082 16.067,1083 1.63,1084 1.662,1085 1.649,1086 1.56,1087 1.55,1088 2.143,1089 0.45,1090 4.946,1091 1.467,1092 4.21,1093 4.237,1094 4.189,1095 4.123,1096 8.513,1097 4.135,1098 4.036,1099 4.064,1100 4.008,1101 3.955,1102 7.999,1103 3.963,1104 3.569,1105 3.602,1106 3.553,1107 3.443,1108 7.999,1109 3.458,1110 3.415,1111 3.46,1112 3.408,1113 3.214,1114 7.529,1115 3.244,1116 3.277,1117 3.329,1118 3.221,1119 3.023,1120 6.82,1121 3.063,1122 3.116,1123 3.162,1124 3.08,1125 2.917,1126 6.473,1127 2.935,1128 2.866,1129 2.938,1130 2.817,1131 2.586,1132 4.954,1133 2.624,1134 2.738,1135 2.787,1136 2.642,1137 2.407,1138 4.787,1139 2.446,1140 0.161,1141 0.149,1142 0.244,1143 0.147,1144 0.116,1145 4.828,1146 0.159,1147 4.47,1148 0.128,1149 7.322,1150 0.425,1151 4.41,1152 0.111,1153 3.469,1154 4.783,1155 3.825,1156 12.751,1157 3.319,1158 1.953,1159 1.936,1160 2.019,1161 2.039,1162 1.192,1163 2.031,1164 1.942,1165 1.92,1166 2.013,1167 2.018,1168 1.142,1169 2.018,1170 1.635,1171 1.604,1172 1.687,1173 1.828,1174 0.822,1175 1.787,1176 1.258,1177 1.209,1178 1.392,1179 1.536,1180 0.415,1181 1.494,1182 1.196,1183 1.159,1184 1.24,1185 1.422,1186 0.271,1187 1.341,1188 1.033,1189 0.991,1190 1.159,1191 1.392,1192 0.244,1193 1.307,1194 0.958,1195 0.917,1196 1.106,1197 1.137,1198 0.134,1199 1.133,1200 0.758,1201 0.688,1202 0.988,1203 1.007,1205 1.011,1206 4.111,1208 5.501,1209 3.045,1210 7.086,1211 5.533,1212 8.76,1213 7.743,1214 10.483,1218 39.747,1221 10.285,1228 -4.623,1229 9.023,1230 1.941,1231 26.772,1232 67.774,1233 142.343,1234 163.853,1235 181.362,1236 181.362,1237 181.362,1238 71.316,1239 7.874,1240 105.03,1241 105.03,1242 22,1243 12.987,1244 4.524,1245 3.807,1246 39.94,1247 88,1248 101,1249 0.229,1250 160.422,1251 277.67,1252 383.189,1253 26234,1254 8.3,1255 19.345,1256 0.716,1257 0.494,1258 16.845,1259 13.348,1260 12.846,1261 0.428,1262 0.255,1263 7.495,1264 12.162,1265 7.433,1266 6.07,1267 11.635,1268 7.652,1269 12.504,1270 0.272,1271 0.128,1272 10.509,1273 5.887,1274 10.402,1275 0.16,1276 0.067,1277 9.648,1278 4.361,1279 9.377,1280 0.1,1281 0.034,1282 8.595,1283 3.216,1284 7.776,1285 0.063,1286 0.018,1287 7.174,1288 2.185,1289 0.345,1290 82.337,1291 0.228,1292 25.044,1293 0.677,1294 152,1295 682.175,1296 178.86,1297 584.822,1298 761.69,1299 536,1300 187,1301 542.332,1302 208.098,1303 530.297,1304 796.25,1305 497,1306 5} {0 CHEMBL2321956,1 1.955,2 10.133,3 4.742,4 22.487,5 101.493,6 10.334,7 0.735,8 3.903,9 4.004,10 3.708,11 3.415,12 5.31,13 3.484,14 4.385,15 4.491,16 4.18,17 3.844,18 6.161,19 3.904,20 4.534,21 4.662,22 4.174,23 3.94,24 5.911,25 3.985,26 4.709,27 4.865,28 4.289,29 3.952,30 6.228,31 4.022,32 4.73,33 4.892,34 4.236,35 3.847,36 6.275,37 3.952,38 4.587,39 4.746,40 4.112,41 3.719,42 6.334,43 3.797,44 4.467,45 4.636,46 3.947,47 3.587,48 6.046,49 3.659,50 4.322,51 4.507,52 3.784,53 3.382,54 5.944,55 3.464,56 0.379,57 0.927,58 3.192,59 3.036,60 45.619,61 2.277,62 0.965,63 1.796,64 5.82,65 5.351,66 146.019,67 4.276,68 0.761,69 1.601,70 7.925,71 6.542,72 90.966,73 5.958,74 1.136,75 1.828,76 12.465,77 7.035,78 118.542,79 6.172,80 1.363,81 1.767,82 15.614,83 7.218,84 180.517,85 5.466,86 1.341,87 1.308,88 14.202,89 6.29,90 195.684,91 5.664,92 1.063,93 1.26,94 12.279,95 5.438,96 127.839,97 4.659,98 0.962,99 1.223,100 12.147,101 5.105,102 123.304,103 4.805,104 30,105 52,106 0.334,107 0.703,108 0.815,109 0.89,110 0.89,111 0.89,112 3.442,113 0.752,114 -4.39,115 -4.33,116 -4.08,119 45,127 1,133 6,134 5,135 1,140 1,143 3,144 1,155 2,157 2,159 9,161 2,162 3,164 1,165 1,166 7,168 9,172 8,174 1,176 7,178 7,182 11,185 1,186 2,187 7,190 4,194 7,197 2,199 8,202 5,205 2,206 4,209 4,211 5,213 6,216 3,217 5,220 2,221 1,222 4,224 7,228 1,229 4,232 1,234 1,237 6,242 3,245 4,247 1,250 2,255 1384,256 20.135,257 20.135,258 20.135,259 20.135,260 20.135,261 17.293,262 12.062,263 11.381,264 20.663,265 16.741,266 16.741,267 16.741,268 16.741,269 16.741,270 12.288,271 11.171,272 5.287,273 17.653,274 3.367,275 1.213,276 0.557,277 0.119,278 0.119,279 0.119,280 4.144,284 1,285 672,286 3.536,288 187.806,289 146.102,291 217.02,295 1.627,296 55.786,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 70,307 304,308 4.829,309 4.47,310 7.323,311 4.41,312 3.469,313 4.784,314 3.825,315 12.751,316 3.32,317 4.623,318 3.433,319 7.015,320 4.215,321 3.283,322 4.537,323 0.894,324 11.849,325 3.087,326 4.295,327 3.133,328 6.583,329 3.937,330 2.996,331 3.793,333 10.386,334 2.788,335 4.13,336 2.824,337 6.131,338 3.72,339 2.764,340 3.604,342 9,343 2.616,344 3.636,345 2.475,346 5.809,347 3.2,348 2.252,349 3.023,351 7.687,352 2.11,353 3.41,354 2.423,355 5.322,356 2.951,357 2.005,358 2.727,360 6.163,361 1.877,362 3.259,363 2.042,364 4.904,365 2.754,366 1.79,367 2.606,369 5.227,370 1.73,371 3.176,372 1.795,373 4.807,374 2.694,375 1.74,376 2.45,378 4.915,379 1.643,380 2.908,381 1.682,382 4.469,383 2.43,384 1.471,385 2.073,386 4.369,387 1.388,388 2.833,389 1.55,390 4.18,391 2.344,392 1.366,393 1.981,394 3.37,395 1.329,396 2.562,397 1.414,398 3.77,399 2.005,400 1.031,401 1.476,402 2.49,403 1.001,404 2.368,405 0.913,406 3.501,407 1.863,408 0.893,409 1.293,411 2.128,412 0.863,413 2.118,414 0.819,415 3.302,416 1.591,417 0.618,418 0.927,420 1.608,421 0.6,422 2.053,423 0.618,424 3,425 1.525,426 0.573,427 0.833,429 1.372,430 0.542,431 1.914,432 0.585,433 2.941,434 1.228,435 0.248,436 0.404,438 0.431,439 0.243,440 13.324,441 0.444,442 0.964,443 0.032,444 42.5,445 1.417,446 22.5,447 0.75,448 20,449 0.667,450 21.997,451 0.733,452 31.676,453 0.792,454 36.644,455 1.221,456 8.762,457 0.292,458 5.618,459 0.187,460 0.114,461 0.038,462 0.413,463 3,466 0.625,467 0.763,468 0.561,469 0.711,470 0.616,471 0.638,472 0.419,473 0.738,474 0.554,475 0.89,476 0.375,477 0.86,478 0.664,479 0.986,480 0.751,481 1.179,482 0.586,483 1.109,484 0.889,485 0.977,486 0.959,487 1.088,488 0.876,489 1.079,490 1.359,491 1.15,492 1.2,493 1.078,494 1.307,495 1.027,496 0.843,497 0.821,498 0.989,499 0.942,500 0.83,501 1.015,502 1.045,503 0.769,504 1.172,505 0.931,506 1.169,507 1.069,508 1.165,509 1.077,510 1.12,511 1.087,512 1.275,513 1.091,514 6.5,515 0.154,516 4.222,517 3.208,518 2.059,519 1.859,520 0.786,521 0.517,522 0.507,523 0.185,524 11047,525 45925,526 2.116,527 25,529 6,532 4,536 1.733,537 1.946,538 3.312,539 1.763,545 78.193,546 1.955,547 4.109,548 4.765,549 5.203,550 5.203,551 5.203,552 2.766,553 4.482,554 4.877,555 3.486,556 1516.37,557 8.533,558 19857.3,560 1,563 212.877,564 1.648,565 4.818,566 0.191,567 0.008,568 0.081,569 0.061,570 0.037,571 0.036,572 0.017,573 0.014,574 0.016,575 0.007,576 0.467,577 0.17,578 0.88,579 0.855,580 150.718,581 -0.025,582 0.132,583 -0.027,584 0.206,585 -0.078,586 0.143,587 0.345,588 0.305,589 0.074,590 0.091,591 0.355,592 -0.031,593 -0.027,594 -0.156,595 0.007,596 -0.19,597 0.003,598 -0.127,599 -0.043,600 -0.056,601 -0.057,602 -0.122,603 -0.054,604 -0.108,605 -0.325,606 -0.2,607 -0.182,608 -0.096,609 -0.254,610 -0.039,611 0.104,612 -0.004,613 0.039,614 0.022,615 0.133,616 0.004,617 -0.079,618 0.089,619 -0.142,620 0.026,621 -0.167,622 -0.066,623 -0.055,624 -0.075,625 0.053,626 -0.053,627 -0.12,628 0.013,629 5.875,630 5.356,631 0.767,632 26.609,633 1.064,634 1.154,635 3.163,636 10.008,637 0.701,638 3.555,639 3.97,640 4.317,641 4.682,642 4.92,643 5.13,644 5.347,645 5.525,646 5.666,647 5.784,648 6.131,649 0.733,650 413.35,651 3.555,652 5.153,653 6.052,654 6.989,655 7.909,656 8.851,657 9.779,658 10.722,659 11.655,660 12.599,661 17.5,669 3,671 3,673 1,674 4,675 6,676 3,677 3,680 7,682 25,693 1,696 1,699 40,700 26,701 2,702 34,704 44,705 18,706 17,707 6,708 6,710 5,711 7,715 1,718 1,721 17,722 1,724 1,728 1,730 1,734 3,736 10,737 9,738 4,739 12,743 7,747 0.6,748 2,756 2,759 3,760 2,762 2,777 3,783 3,785 30,788 1,795 1,800 3,801 5,803 1,804 1,808 15.417,809 7.345,810 6.333,811 2.189,812 4.831,813 1.578,814 1.052,815 4.001,816 13.185,817 3.882,818 4.603,819 5.332,820 6.063,821 6.633,822 7.169,823 7.735,824 8.276,825 8.71,826 9.185,827 0.857,828 53,829 11.619,831 5.831,832 8.436,833 19.711,835 16.727,837 2.936,838 88.083,841 1,842 70.627,843 91.449,844 119.262,846 68.057,847 44.88,849 91.449,850 138.683,851 164.142,854 56.857,855 117.923,856 114.779,857 26.329,858 70.627,859 7.76,860 70.627,861 210.711,862 112.937,865 72.955,866 112.937,869 57.871,870 81.362,871 69.15,873 115.507,874 187.318,875 91.449,878 78.386,879 26.832,880 56.857,881 50.112,882 182.087,883 70.627,884 232.199,885 91.449,887 0.601,888 0.363,889 0.21,890 0.111,891 29,892 13,893 0.068,894 3,895 2,896 1.174,897 3.946,898 298.023,899 0.174,900 23,901 142.452,904 18.493,905 6.49,906 2.829,907 0.688,908 182.087,909 8.479,910 11.214,911 7.676,914 -0.565,916 92.795,917 394.275,918 47.5,922 11.677,924 3.063,926 42.556,927 46.172,928 0.367,929 0.772,930 0.895,931 0.978,932 0.978,933 0.978,934 5.155,935 1.74,936 6.103,937 5.227,938 4.654,939 5.291,940 3.111,941 7.04,942 4.556,943 6.43,944 1.471,945 7.744,946 4.915,947 4.511,948 5.301,949 3.903,950 8.281,951 4.286,952 7.793,953 1.366,954 9.493,955 4.369,956 6.405,957 7.666,958 5.426,959 11.394,960 6.206,961 9.197,962 1.031,963 11.305,964 3.37,965 7.074,966 8.526,967 6.69,968 13.425,969 6.762,970 10.636,971 0.893,972 13.157,973 2.49,974 8.497,975 10.366,976 8.058,977 16.115,978 8.185,979 12.098,980 0.618,981 15.035,982 2.128,983 9.491,984 11.608,985 9.388,986 18.438,987 9.092,988 13.58,989 0.573,990 16.932,991 1.608,992 10.762,993 13.254,994 10.734,995 21.003,996 10.34,997 3.469,998 0.248,999 18.843,1000 1.372,1001 11.886,1002 14.666,1003 12.074,1004 23.439,1005 11.397,1006 3.283,1007 12.751,1008 20.765,1009 0.431,1010 13.109,1011 16.242,1012 13.416,1013 25.967,1014 12.586,1015 2.996,1016 11.849,1017 22.695,1018 4.784,1019 14.285,1020 17.729,1021 14.758,1022 28.45,1023 13.706,1024 2.764,1025 10.386,1026 24.632,1027 4.537,1028 15.498,1029 19.281,1030 16.1,1031 30.969,1032 14.878,1033 2.252,1034 9,1035 26.575,1036 3.793,1037 16.696,1038 20.8,1039 17.441,1040 33.473,1041 16.027,1042 2.005,1043 7.687,1044 28.523,1045 3.604,1046 17.908,1047 22.346,1048 18.783,1049 35.993,1050 17.197,1051 1.79,1052 6.163,1053 30.475,1054 3.023,1055 19.118,1056 23.88,1057 20.124,1058 38.508,1059 18.36,1060 10371,1061 21310,1062 22.482,1063 28.046,1064 54.315,1065 53.924,1066 54.702,1067 53.321,1068 52.998,1069 73.021,1070 9.439,1071 167.493,1072 50.275,1073 5.527,1074 6.47,1075 6.919,1076 5.455,1077 5.469,1078 7.784,1079 5.335,1080 20.739,1081 5.32,1082 15.682,1083 1.597,1084 1.586,1085 1.609,1086 1.568,1087 1.559,1088 2.148,1089 0.278,1090 4.926,1091 1.479,1092 4.214,1093 4.242,1094 4.192,1095 4.124,1096 8.513,1097 4.137,1098 4.045,1099 4.076,1100 4.018,1101 3.958,1102 7.999,1103 3.967,1104 3.774,1105 3.867,1106 3.756,1107 3.501,1108 7.999,1109 3.545,1110 3.508,1111 3.547,1112 3.501,1113 3.293,1114 7.529,1115 3.333,1116 3.305,1117 3.358,1118 3.272,1119 3.066,1120 6.473,1121 3.103,1122 3.276,1123 3.329,1124 3.211,1125 3.019,1126 5.271,1127 3.062,1128 3.033,1129 3.094,1130 2.978,1131 2.788,1132 4.946,1133 2.81,1134 2.761,1135 2.809,1136 2.671,1137 2.425,1138 4.785,1139 2.476,1140 0.142,1141 0.131,1142 0.215,1143 0.13,1144 0.102,1145 4.829,1146 0.141,1147 4.47,1148 0.113,1149 7.323,1150 0.375,1151 4.41,1152 0.098,1153 3.469,1154 4.784,1155 3.825,1156 12.751,1157 3.32,1158 1.953,1159 1.936,1160 2.019,1161 2.039,1162 1.193,1163 2.031,1164 1.942,1165 1.92,1166 2.014,1167 2.022,1168 1.163,1169 2.02,1170 1.635,1171 1.604,1172 1.687,1173 1.828,1174 0.822,1175 1.788,1176 1.259,1177 1.21,1178 1.393,1179 1.625,1180 0.416,1181 1.535,1182 1.24,1183 1.192,1184 1.301,1185 1.537,1186 0.369,1187 1.493,1188 1.063,1189 0.991,1190 1.196,1191 1.44,1192 0.264,1193 1.374,1194 1.033,1195 0.927,1196 1.158,1197 1.422,1198 0.144,1199 1.307,1200 0.959,1201 0.913,1202 1.106,1203 1.155,1204 0.015,1205 1.139,1206 4.234,1208 5.624,1209 3.434,1210 7.201,1211 5.82,1212 8.867,1213 7.953,1214 10.582,1218 40.067,1221 10.409,1228 -4.625,1231 29.31,1232 78.193,1233 164.348,1234 190.612,1235 208.122,1236 208.122,1237 208.122,1238 68.901,1239 8.353,1240 135.7,1241 135.7,1242 27,1243 13.094,1244 4.755,1245 3.858,1246 41.429,1247 109,1248 110,1249 0.188,1250 173.411,1251 287.41,1252 414.884,1253 48605,1254 7.5,1255 21.043,1256 0.701,1257 0.491,1258 18.543,1259 14.742,1260 14.38,1261 0.423,1262 0.251,1263 8.315,1264 13.469,1265 8.279,1266 6.761,1267 13.169,1268 8.523,1269 14.035,1270 0.27,1271 0.125,1272 12.039,1273 6.51,1274 11.823,1275 0.16,1276 0.065,1277 11.069,1278 4.835,1279 10.806,1280 0.101,1281 0.033,1282 10.025,1283 3.57,1284 8.552,1285 0.063,1286 0.018,1287 7.949,1288 2.382,1289 0.288,1290 93.099,1291 0.211,1292 27.645,1293 0.543,1294 172,1295 757.798,1296 204.549,1297 653.6,1298 865.94,1299 602,1300 212,1301 638.218,1302 239.425,1303 620.76,1304 928.78,1305 582,1306 5} {0 CHEMBL2321957,1 1.778,2 9.259,3 5.14,4 26.42,5 103.813,6 10.445,7 0.667,8 3.863,9 3.946,10 3.708,11 3.452,12 5.162,13 3.459,14 4.342,15 4.46,16 4.149,17 3.876,18 5.57,19 3.868,20 4.527,21 4.638,22 4.37,23 4.029,24 5.813,25 4.015,26 4.707,27 4.837,28 4.43,29 4.075,30 6.04,31 4.045,32 4.671,33 4.815,34 4.268,35 3.962,36 6.011,37 3.938,38 4.64,39 4.82,40 4.173,41 3.864,42 6.038,43 3.834,44 4.51,45 4.688,46 4.096,47 3.748,48 5.912,49 3.692,50 4.252,51 4.426,52 3.876,53 3.51,54 5.541,55 3.434,56 0.179,57 0.575,58 3.494,59 3.385,60 14.977,61 3.349,62 0.418,63 0.918,64 9.95,65 5.824,66 28.933,67 6.032,68 0.323,69 1.101,70 14.734,71 7.327,72 22.986,73 7.492,74 0.687,75 1.256,76 19.522,77 8.864,78 71.833,79 8.029,80 0.642,81 1.203,82 33.771,83 9.167,84 61.882,85 8.597,86 0.768,87 1.165,88 24.086,89 8.294,90 77.045,91 9.227,92 0.719,93 0.984,94 23.307,95 7.723,96 92.532,97 7.889,98 0.441,99 0.759,100 14.258,101 6.003,102 47.639,103 5.834,104 42,105 45,106 0.306,107 0.702,108 0.817,109 0.883,110 0.883,111 0.883,112 3.342,113 0.88,114 -4.13,115 -4.08,116 -3.86,117 1,119 46.3,123 2,133 6,134 4,135 2,143 3,144 1,147 1,155 1,159 8,161 1,162 5,164 1,166 4,168 8,172 10,174 1,176 4,178 7,182 10,185 2,186 1,187 3,190 6,193 1,194 6,197 1,199 5,202 5,205 3,206 5,209 3,211 4,213 5,216 2,217 7,222 2,224 6,229 4,237 6,241 2,242 2,245 2,250 4,255 1030,256 18.223,257 18.223,258 18.223,259 18.223,260 18.223,261 15.684,262 13.909,263 10.192,264 18.759,265 14.6,266 14.6,267 14.6,268 14.6,269 14.6,270 10.549,271 12.297,272 4.579,273 15.369,274 3.58,275 1.281,276 0.61,277 0.232,278 0.232,279 0.232,280 4.031,284 1,285 539,286 3.24,288 100.519,289 130.179,291 193.817,295 1.528,296 34.018,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 59.25,307 250,308 4.861,309 3.655,310 7.217,311 4.409,312 3.445,313 4.848,314 1.674,315 12.714,316 3.323,317 4.603,318 3.536,319 6.764,320 4.117,321 3.149,322 4.56,323 0.894,324 11.067,325 3.045,326 4.084,327 3.248,328 6.172,329 3.713,330 2.73,331 3.579,333 8.901,334 2.668,335 3.83,336 2.811,337 5.954,338 3.38,339 2.445,340 3.292,342 8.19,343 2.263,344 3.55,345 2.527,346 5.599,347 3.097,348 2.159,349 2.94,351 6.792,352 2.007,353 3.398,354 2.283,355 5.346,356 2.919,357 1.96,358 2.758,360 6.182,361 1.863,362 3.109,363 2.02,364 4.882,365 2.605,366 1.672,367 2.353,369 5.082,370 1.516,371 2.889,372 1.831,373 4.533,374 2.4,375 1.451,376 2.03,378 3.986,379 1.356,380 2.8,381 1.658,382 4.127,383 2.316,384 1.347,385 1.879,386 3.412,387 1.291,388 2.605,389 1.489,390 3.815,391 2.081,392 1.123,393 1.574,394 2.709,395 1.043,396 2.377,397 1.46,398 3.598,399 1.84,400 0.903,401 1.259,402 2.144,403 0.819,404 1.932,405 1.203,406 3.057,407 1.285,408 0.342,409 0.482,411 0.588,412 0.318,413 1.472,414 0.733,415 2.753,416 1.088,417 0.135,418 0.18,420 0.191,421 0.127,422 1.281,423 0.384,424 2.567,425 0.917,426 -0.007,427 -0.009,429 -0.016,430 -0.006,431 0.983,432 0.265,433 2.56,434 0.517,435 -0.276,436 -0.334,438 -0.638,439 -0.153,440 13.367,441 0.495,442 0.785,443 0.029,444 37.75,445 1.398,446 20,447 0.741,448 17.75,449 0.657,450 22.145,451 0.82,452 27.433,453 0.669,454 29.345,455 1.087,456 7.523,457 0.279,458 5.45,459 0.202,460 0.249,462 0.441,466 0.724,467 1.097,468 0.474,469 0.745,470 0.604,471 0.742,472 0.699,473 0.89,474 0.545,475 0.595,476 0.484,477 0.617,478 0.728,479 1.242,480 0.878,481 1.059,482 0.652,483 0.959,484 1.216,485 1.055,486 1.003,487 0.944,488 1.247,489 1,490 1.131,491 1.205,492 1.291,493 1.269,494 1.152,495 1.156,496 0.794,497 0.966,498 0.688,499 0.897,500 0.897,501 0.94,502 1.048,503 0.928,504 0.968,505 0.92,506 1.109,507 0.975,508 1.141,509 0.961,510 0.919,511 1.053,512 1.298,513 1.166,514 5,515 0.107,516 4,517 3.5,518 2.087,519 1.41,520 0.912,521 0.473,522 0.278,523 0.204,524 7554,525 27210,526 2.053,527 34.1,529 12,532 2,536 1.707,537 1.862,538 3.176,539 0.304,545 72.891,546 1.778,547 4.076,548 4.747,549 5.126,550 5.126,551 5.126,552 2.696,553 4.607,554 4.725,555 3.315,556 1163.71,557 8.239,558 14031.2,563 219.66,564 1.53,565 4.656,566 0.167,567 0.009,568 0.089,569 0.069,570 0.043,571 0.032,572 0.023,573 0.015,574 0.013,575 0.012,576 0.47,577 0.33,578 1,579 1.113,580 130.062,581 -0.024,582 -0.018,583 -0.003,584 0.039,585 -0.032,586 0.038,587 0.047,588 0.167,589 0.043,590 0.243,591 0.045,592 0.241,593 -0.018,594 -0.202,595 -0.015,596 -0.153,597 0.017,598 -0.088,599 -0.186,600 -0.032,601 -0.059,602 -0.006,603 -0.17,604 -0.114,605 -0.122,606 -0.203,607 -0.154,608 -0.274,609 -0.116,610 -0.22,611 0.187,612 0.044,613 0.031,614 0.001,615 0.135,616 0.033,617 0.004,618 0.038,619 0.006,620 0.064,621 0.065,622 0.031,623 -0.157,624 -0.002,625 0.022,626 -0.079,627 -0.167,628 -0.166,629 2.173,630 4.814,631 0.667,632 21.35,633 1.028,634 1.114,635 2.905,636 8.436,637 0.726,638 3.434,639 3.829,640 4.22,641 4.564,642 4.828,643 5.011,644 5.193,645 5.361,646 5.425,647 5.481,648 5.516,649 0.71,650 428.26,651 3.434,652 5.017,653 5.927,654 6.858,655 7.789,656 8.728,657 9.667,658 10.61,659 11.552,660 12.498,661 7.3,669 2,673 1,674 4,675 6,677 1,680 6,681 1,682 20,690 1,693 1,696 1,698 1,699 41,700 22,701 2,702 30,703 1,704 44,705 19,706 16,707 6,708 6,709 1,710 4,711 6,721 17,722 2,724 2,728 2,730 1,731 1,736 14,737 5,738 2,739 8,740 1,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,777 2,780 1,781 2,785 27,788 1,791 1,800 1,801 9.8,803 1,804 2,806 1,808 14.5,809 8.243,810 5.972,811 2.24,812 4.26,813 1.543,814 1,815 4.384,816 12.109,817 3.761,818 4.483,819 5.235,820 5.953,821 6.563,822 7.073,823 7.605,824 8.127,825 8.494,826 8.906,827 1,828 51,829 9.958,831 4.401,832 8.022,833 18.396,835 15.295,837 2.522,838 68.083,841 1,842 141.253,843 107.702,844 83.922,846 104.202,849 153.656,850 245.455,851 37.968,852 19.279,854 56.857,855 100.393,856 47.013,857 26.329,858 141.253,859 45.954,860 141.253,861 145.67,862 104.202,864 45.954,865 141.253,866 104.202,869 18.685,870 107.702,871 19.284,872 45.954,873 141.253,874 142.17,875 153.656,878 141.253,879 31.565,880 78.036,881 62.74,882 123.485,883 141.253,884 142.17,885 153.656,887 0.593,888 0.383,889 0.216,890 0.118,891 24,892 12,893 0.091,894 4,895 2,896 1.222,897 3.617,898 253.416,899 0.222,900 18,901 128.382,904 17.922,905 6.605,906 2.62,907 2.651,908 123.485,909 10.408,911 3.147,914 2.113,915 1.634,916 59.469,917 437.079,918 42,922 23.477,924 3.175,925 -0.506,926 42.145,927 45.665,928 0.332,929 0.761,930 0.886,931 0.957,932 0.957,933 0.957,934 5.024,935 1.451,936 5.958,937 5.082,938 4.511,939 5.17,940 2.105,941 6.889,942 4.418,943 6.296,944 1.347,945 7.597,946 3.986,947 4.29,948 5.239,950 8.015,951 4.141,952 7.659,953 1.123,954 9.336,955 3.412,956 6.221,957 7.575,958 2.89,959 11.193,960 6.064,961 9.066,962 0.903,963 11.131,964 2.709,965 6.825,966 8.487,968 13.146,969 6.618,970 10.507,971 0.342,972 12.962,973 2.144,974 8.263,975 10.319,976 3.831,977 15.867,978 8.045,979 11.973,980 0.135,981 14.817,982 0.588,983 9.221,984 11.603,986 18.157,987 8.958,988 13.46,989 -0.007,990 16.691,991 0.191,992 10.494,993 13.256,994 4.831,995 20.735,996 10.211,997 3.445,998 -0.276,999 18.579,1000 -0.016,1001 11.6,1002 14.7,1004 23.163,1005 11.276,1006 3.149,1007 12.714,1008 20.479,1009 -0.638,1010 12.823,1011 16.289,1012 5.852,1013 25.698,1014 12.471,1015 2.73,1016 11.067,1017 22.388,1018 4.848,1019 13.99,1020 17.801,1022 28.182,1023 13.6,1024 2.445,1025 8.901,1026 24.306,1027 4.56,1028 15.201,1029 19.369,1030 6.88,1031 30.707,1032 14.779,1033 2.159,1034 8.19,1035 26.23,1036 3.579,1037 16.395,1038 20.909,1040 33.216,1041 15.936,1042 1.96,1043 6.792,1044 28.16,1045 3.292,1046 17.606,1047 22.471,1048 7.91,1049 35.742,1050 17.112,1051 1.672,1052 6.182,1053 30.096,1054 2.94,1055 18.813,1056 24.023,1058 38.263,1059 18.283,1060 7382,1061 14105,1062 19.422,1063 29.756,1064 46.62,1065 49.034,1066 50.125,1067 45.97,1068 45.723,1069 63.466,1070 5.138,1071 143.918,1072 43.277,1073 5.561,1074 5.655,1075 6.761,1076 5.449,1077 5.445,1078 7.848,1079 3.349,1080 20.591,1081 5.323,1082 16.039,1083 1.554,1084 1.634,1085 1.671,1086 1.532,1087 1.524,1088 2.116,1089 0.171,1090 4.797,1091 1.443,1092 4.213,1093 4.239,1094 6.881,1095 4.131,1096 7.529,1097 4.14,1098 4.036,1099 4.062,1100 4.172,1101 3.963,1102 7.433,1103 3.966,1104 3.587,1105 3.599,1106 3.971,1107 3.444,1108 6.47,1109 3.455,1110 3.455,1111 3.507,1112 3.537,1113 3.268,1114 4.958,1115 3.287,1116 3.268,1117 3.321,1118 3.331,1119 3.031,1120 4.798,1121 3.043,1122 3.073,1123 3.123,1124 3.163,1125 2.946,1126 4.501,1127 2.915,1128 3.025,1129 3.088,1130 2.971,1131 2.821,1132 4.223,1133 2.818,1134 2.818,1135 2.873,1136 2.816,1137 2.717,1138 4.121,1139 2.661,1140 0.162,1141 0.122,1142 0.241,1143 0.147,1144 0.115,1145 4.861,1146 0.162,1147 3.655,1148 0.056,1149 7.217,1150 0.424,1151 4.409,1152 0.111,1153 3.445,1154 4.848,1155 1.674,1156 12.714,1157 3.323,1158 1.943,1159 1.929,1160 2.014,1161 2.029,1162 1.185,1163 2.024,1164 1.938,1165 1.919,1166 1.988,1167 2.005,1168 1.156,1169 2.01,1170 1.66,1171 1.624,1172 1.759,1173 1.857,1174 0.897,1175 1.827,1176 1.367,1177 1.303,1178 1.597,1179 1.631,1180 0.646,1181 1.611,1182 1.301,1183 1.279,1184 1.558,1185 1.6,1186 0.584,1187 1.582,1188 1.05,1189 0.999,1190 1.205,1191 1.305,1192 0.306,1193 1.274,1194 1.018,1195 0.958,1196 1.197,1197 1.229,1198 0.293,1199 1.223,1200 0.8,1201 0.752,1202 1.021,1203 1.023,1204 0.166,1205 1.029,1206 4.111,1208 5.485,1209 3.045,1210 7.066,1211 5.587,1212 8.739,1213 7.832,1214 10.462,1215 3.493,1216 3.026,1221 10.73,1224 4.737,1231 29.109,1232 72.891,1233 167.13,1234 194.64,1235 210.15,1236 210.15,1237 210.15,1238 53.798,1239 7.849,1240 96.68,1241 96.68,1242 22,1243 12.991,1244 4.524,1245 3.7,1246 39.949,1247 88,1248 103,1249 0.229,1250 182.459,1251 305.26,1252 436.96,1253 25156,1254 2.4,1255 19.292,1256 0.715,1257 0.592,1258 20.292,1259 15.994,1260 12.973,1261 0.432,1262 0.293,1263 7.917,1264 11.835,1265 7.652,1266 6.332,1267 13.55,1268 8.805,1269 11.799,1270 0.262,1271 0.154,1272 12.541,1273 6.94,1274 11.064,1275 0.165,1276 0.079,1277 11.738,1278 5.306,1279 9.497,1280 0.1,1281 0.042,1282 10.252,1283 4.029,1284 7.731,1285 0.062,1286 0.021,1287 8.249,1288 2.625,1289 0.344,1290 90.773,1291 0.227,1292 25.067,1293 0.675,1294 150,1295 503.634,1296 230.583,1297 519.251,1298 693.17,1299 480,1300 187,1301 486.755,1302 237.629,1303 505.489,1304 744.8,1305 472,1306 5} {0 CHEMBL2321958,1 1.805,2 8.615,3 4.889,4 23.902,5 99.043,6 10.901,7 0.69,8 3.8,9 3.878,10 3.671,11 3.406,12 5.146,13 3.417,14 4.254,15 4.356,16 4.129,17 3.842,18 5.594,19 3.836,20 4.494,21 4.607,22 4.339,23 3.992,24 5.802,25 3.977,26 4.645,27 4.775,28 4.401,29 4.025,30 6.002,31 3.994,32 4.615,33 4.763,34 4.233,35 3.883,36 5.994,37 3.869,38 4.526,39 4.688,40 4.134,41 3.762,42 6.03,43 3.752,44 4.412,45 4.582,46 4.034,47 3.646,48 5.923,49 3.596,50 4.106,51 4.267,52 3.811,53 3.393,54 5.447,55 3.316,56 0.209,57 0.535,58 2.652,59 3.025,60 23.744,61 2.735,62 0.348,63 0.853,64 5.845,65 5.069,66 42.368,67 5.144,68 0.383,69 1.056,70 13.132,71 6.958,72 40.207,73 6.811,74 0.66,75 1.191,76 16.122,77 8.265,78 76.226,79 7.39,80 0.697,81 1.133,82 33.638,83 8.741,84 83.589,85 7.896,86 0.753,87 1.046,88 19.374,89 7.13,90 86.144,91 7.268,92 0.74,93 0.889,94 20.173,95 6.899,96 115.69,97 6.444,98 0.428,99 0.622,100 12.188,101 5.573,102 60.707,103 5.353,104 41,105 44,106 0.315,107 0.706,108 0.814,109 0.894,110 0.894,111 0.894,112 3.306,113 0.871,114 -3.91,115 -3.87,116 -3.67,117 1,119 47.4,123 1,133 6,134 4,135 2,143 3,144 1,147 1,155 1,156 1,158 1,159 8,160 1,162 4,164 2,166 5,168 8,169 2,172 8,174 1,176 6,178 7,179 2,182 8,185 2,186 1,187 5,190 6,193 1,194 6,195 1,197 1,199 5,200 1,202 5,205 2,206 5,207 1,209 3,210 1,211 4,213 5,214 1,216 1,217 6,220 1,222 3,224 6,225 1,229 3,230 1,234 1,235 1,237 6,238 1,241 1,242 1,245 2,246 1,247 1,250 4,251 1,255 918,256 17.353,257 17.353,258 17.353,259 17.353,260 17.353,261 14.762,262 12.923,263 9.69,264 17.738,265 14.18,266 14.18,267 14.18,268 14.18,269 14.18,270 10.135,271 11.85,272 4.425,273 14.844,274 3.443,275 1.205,276 0.586,277 0.125,278 0.125,279 0.125,280 3.995,284 1,285 484,286 3.082,288 94.195,289 123.067,291 182.673,295 1.337,296 36.118,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 57.25,307 224,308 4.861,309 3.589,310 7.217,311 4.409,312 3.445,313 4.848,314 1.437,315 12.714,316 3.323,317 4.602,318 3.532,319 6.763,320 4.115,321 3.147,322 4.56,323 0.894,324 11.064,325 3.043,326 4.06,327 3.245,328 6.16,329 3.681,330 2.693,331 3.565,333 8.825,334 2.646,335 3.82,336 2.811,337 5.871,338 3.37,339 2.433,340 3.28,342 7.922,343 2.256,344 3.546,345 2.525,346 5.596,347 3.093,348 2.152,349 2.935,351 6.781,352 2.005,353 3.396,354 2.282,355 5.34,356 2.915,357 1.956,358 2.755,360 6.169,361 1.861,362 3.1,363 2.016,364 4.881,365 2.596,366 1.663,367 2.342,369 5.067,370 1.503,371 2.866,372 1.823,373 4.528,374 2.369,375 1.407,376 2.016,378 3.937,379 1.343,380 2.752,381 1.658,382 3.86,383 2.228,384 1.232,385 1.776,386 2.919,387 1.204,388 2.604,389 1.488,390 3.761,391 2.081,392 1.12,393 1.574,394 2.693,395 1.043,396 2.373,397 1.203,398 3.598,399 1.83,400 0.888,401 1.246,402 2.122,403 0.81,404 1.926,405 0.736,406 3.041,407 1.244,408 0.266,409 0.422,411 0.495,412 0.259,413 1.282,414 0.467,415 2.728,416 0.92,417 -0.004,418 -0.005,420 -0.009,421 -0.004,422 0.983,423 0.359,424 2.565,425 0.518,426 -0.276,427 -0.334,429 -0.638,430 -0.153,431 0.928,432 0.254,433 2.413,434 0.44,435 -0.54,436 -0.764,438 -1.295,439 -0.523,440 12.867,441 0.495,442 0.823,443 0.032,444 37,445 1.423,446 20,447 0.769,448 17,449 0.654,450 20.771,451 0.799,452 26.133,453 0.688,454 28.259,455 1.087,456 7.296,457 0.281,458 5.139,459 0.198,460 0.246,462 0.459,466 0.768,467 0.994,468 0.474,469 0.638,470 0.694,471 0.662,472 0.495,473 0.982,474 0.541,475 0.672,476 0.39,477 0.69,478 0.734,479 1.207,480 0.866,481 1.036,482 0.638,483 0.976,484 1.07,485 1.086,486 0.991,487 0.98,488 1.002,489 1.045,490 1.141,491 1.155,492 1.287,493 1.235,494 1.091,495 1.118,496 0.857,497 0.987,498 0.727,499 0.918,500 0.907,501 0.968,502 1.131,503 0.831,504 1.021,505 0.903,506 1.078,507 0.991,508 1.105,509 0.949,510 0.952,511 1.073,512 1.3,513 1.166,514 5,515 0.07,516 3.778,517 3.5,518 2.087,519 1.382,520 0.872,521 0.401,522 0.278,523 0.184,524 6765,525 25773,526 2.055,527 31.6,529 9,532 3,536 1.698,537 1.857,538 3.095,539 1.012,545 68.588,546 1.805,547 4.043,548 4.662,549 5.123,550 5.123,551 5.123,552 2.551,553 4.21,554 4.672,555 3.233,556 1050.79,557 8.135,558 12300.3,560 1,563 199.421,564 1.526,565 4.598,566 0.172,567 0.009,568 0.086,569 0.071,570 0.044,571 0.033,572 0.023,573 0.014,574 0.014,575 0.012,576 0.479,577 0.5,578 1,579 0.954,580 123.157,581 -0.07,582 0.071,583 -0.012,584 0.121,585 -0.077,586 0.089,587 0.115,588 0.076,589 0.029,590 0.132,591 0.132,592 0.132,593 -0.034,594 -0.188,595 -0.023,596 -0.143,597 -0.005,598 -0.099,599 -0.14,600 -0.071,601 -0.053,602 -0.044,603 -0.12,604 -0.139,605 -0.13,606 -0.163,607 -0.143,608 -0.226,609 -0.117,610 -0.147,611 0.158,612 0.038,613 0.009,614 -0.024,615 0.107,616 -0.011,617 -0.047,618 0.139,619 -0.014,620 0.099,621 0.064,622 0.034,623 -0.106,624 -0.075,625 0.057,626 -0.041,627 -0.176,628 -0.092,629 2.761,630 4.672,631 0.692,632 19.331,633 1.033,634 1.112,635 2.679,636 7.179,637 0.737,638 3.401,639 3.807,640 4.19,641 4.543,642 4.812,643 4.99,644 5.159,645 5.323,646 5.384,647 5.416,648 5.267,649 0.726,650 414.23,651 3.401,652 4.99,653 5.9,654 6.834,655 7.766,656 8.708,657 9.647,658 10.592,659 11.534,660 12.481,661 7.9,669 2,673 1,674 4,675 6,677 1,680 6,681 1,682 20,689 1,693 1,696 1,698 1,699 38,700 22,701 2,702 29,703 1,704 41,705 18,706 16,707 6,708 6,709 1,710 4,711 6,721 17,722 1,724 2,728 2,730 1,731 1,736 12,737 5,738 3,739 8,740 1,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,775 1,777 2,780 1,781 1,785 26,788 2,800 1,801 10.5,803 2,804 2,808 14,809 7.276,810 5.639,811 2.082,812 4.274,813 1.55,814 0.993,815 3.953,816 12.044,817 3.738,818 4.472,819 5.219,820 5.945,821 6.557,822 7.065,823 7.591,824 8.11,825 8.477,826 8.88,827 0.833,828 49,829 9.596,831 4.328,832 8.138,833 17.563,835 14.819,837 2.638,838 68.583,842 105.94,843 90.538,844 83.922,846 135.885,849 136.492,850 241.825,851 37.968,852 8.396,854 56.857,855 136.795,856 36.014,857 26.329,858 105.94,859 45.954,860 105.94,861 128.506,862 135.885,864 45.954,865 105.94,866 135.885,869 18.685,870 90.538,871 19.284,872 45.954,873 105.94,874 173.853,875 136.492,878 105.94,879 25.284,880 67.153,881 62.74,882 155.169,883 105.94,884 173.853,885 136.492,887 0.599,888 0.379,889 0.215,890 0.12,891 24,892 12,893 0.073,894 3,895 2,896 1.222,897 3.53,898 242.24,899 0.222,900 18,901 122.211,904 16.972,905 6.056,906 2.435,907 2.448,908 155.169,909 9.932,911 3.088,914 1.666,915 1.609,916 102.152,917 416.285,918 41,922 22.786,924 3.109,925 -1.094,926 39.262,927 42.25,928 0.344,929 0.77,930 0.888,931 0.976,932 0.976,933 0.976,934 5.004,935 1.407,936 5.938,937 5.067,938 4.489,939 5.159,940 1.906,941 6.87,942 4.402,943 6.283,944 1.232,945 7.578,946 3.937,947 4.29,948 5.239,950 7.999,951 4.141,952 7.648,953 1.12,954 9.318,955 2.919,956 6.201,957 7.568,958 2.38,959 11.176,960 6.051,961 9.056,962 0.888,963 11.114,964 2.693,965 6.815,966 8.483,968 13.132,969 6.61,970 10.497,971 0.266,972 12.946,973 2.122,974 8.247,975 10.315,976 2.976,977 15.854,978 8.035,979 11.964,980 -0.004,981 14.802,982 0.495,983 9.209,984 11.6,986 18.148,987 8.948,988 13.451,989 -0.276,990 16.676,991 -0.009,992 10.481,993 13.253,994 3.641,995 20.727,996 10.202,997 3.445,998 -0.54,999 18.565,1000 -0.638,1001 11.589,1002 14.698,1004 23.156,1005 11.267,1006 3.147,1007 12.714,1008 20.466,1009 -1.295,1010 12.812,1011 16.287,1012 4.338,1013 25.693,1014 12.463,1015 2.693,1016 11.064,1017 22.376,1018 4.848,1019 13.98,1020 17.799,1022 28.178,1023 13.592,1024 2.433,1025 8.825,1026 24.294,1027 4.56,1028 15.192,1029 19.367,1030 5.051,1031 30.704,1032 14.772,1033 2.152,1034 7.922,1035 26.219,1036 3.565,1037 16.387,1038 20.908,1040 33.214,1041 15.929,1042 1.956,1043 6.781,1044 28.15,1045 3.28,1046 17.599,1047 22.47,1048 5.77,1049 35.74,1050 17.106,1051 1.663,1052 6.169,1053 30.086,1054 2.935,1055 18.807,1056 24.022,1058 38.261,1059 18.277,1060 6597,1061 12967,1062 18.729,1063 27.994,1064 45.878,1065 47.356,1066 48.404,1067 45.099,1068 44.806,1069 62.638,1070 4.662,1071 141.417,1072 42.59,1073 5.556,1074 5.589,1075 6.744,1076 5.449,1077 5.445,1078 7.848,1079 2.873,1080 20.591,1081 5.323,1082 15.561,1083 1.582,1084 1.633,1085 1.669,1086 1.555,1087 1.545,1088 2.16,1089 0.161,1090 4.876,1091 1.469,1092 4.212,1093 4.238,1094 6.881,1095 4.131,1096 7.529,1097 4.139,1098 4.035,1099 4.061,1100 4.171,1101 3.962,1102 7.475,1103 3.965,1104 3.562,1105 3.578,1106 3.971,1107 3.438,1108 6.47,1109 3.446,1110 3.447,1111 3.499,1112 3.513,1113 3.259,1114 6.351,1115 3.278,1116 3.165,1117 3.184,1118 3.328,1119 2.991,1120 4.954,1121 2.978,1122 3.068,1123 3.116,1124 3.112,1125 2.907,1126 4.796,1127 2.907,1128 2.875,1129 2.924,1130 2.932,1131 2.724,1132 4.234,1133 2.674,1134 2.817,1135 2.872,1136 2.728,1137 2.545,1138 4.128,1139 2.585,1140 0.168,1141 0.124,1142 0.249,1143 0.152,1144 0.119,1145 4.861,1146 0.167,1147 3.589,1148 0.05,1149 7.217,1150 0.438,1151 4.409,1152 0.115,1153 3.445,1154 4.848,1155 1.437,1156 12.714,1157 3.323,1158 1.943,1159 1.928,1160 2.013,1161 2.027,1162 1.185,1163 2.023,1164 1.937,1165 1.918,1166 1.988,1167 2.005,1168 1.154,1169 2.01,1170 1.66,1171 1.624,1172 1.759,1173 1.857,1174 0.897,1175 1.827,1176 1.367,1177 1.303,1178 1.56,1179 1.612,1180 0.646,1181 1.597,1182 1.194,1183 1.194,1184 1.262,1185 1.482,1186 0.307,1187 1.401,1188 1.028,1189 0.988,1190 1.197,1191 1.242,1192 0.293,1193 1.226,1194 0.806,1195 0.757,1196 1.037,1197 1.104,1198 0.166,1199 1.073,1200 0.758,1201 0.699,1202 1,1203 0.97,1204 0.065,1205 0.99,1206 4.078,1208 5.46,1209 3.045,1210 7.043,1211 5.587,1212 8.719,1213 7.832,1214 10.443,1215 3.471,1216 1.713,1221 19.855,1231 27.583,1232 68.588,1233 153.647,1234 177.157,1235 194.666,1236 194.666,1237 194.666,1238 54.309,1239 7.769,1240 107.68,1241 107.68,1242 22,1243 12.973,1244 4.524,1245 3.7,1246 37.751,1247 81,1248 84,1249 0.235,1250 172.867,1251 287.96,1252 413.555,1253 22724,1254 2.6,1255 18.585,1256 0.715,1257 0.578,1258 19.585,1259 15.033,1260 12.435,1261 0.429,1262 0.29,1263 7.555,1264 11.375,1265 7.343,1266 6.043,1267 13.012,1268 8.416,1269 11.658,1270 0.265,1271 0.153,1272 12.399,1273 6.753,1274 10.558,1275 0.162,1276 0.079,1277 11.232,1278 5.132,1279 9.253,1280 0.099,1281 0.042,1282 10.007,1283 3.917,1284 7.591,1285 0.062,1286 0.021,1287 8.109,1288 2.566,1289 0.352,1290 87.007,1291 0.231,1292 24.177,1293 0.703,1294 146,1295 488.048,1296 225.809,1297 509.171,1298 676.41,1299 468,1300 182,1301 475.24,1302 231.3,1303 492.793,1304 726.56,1305 462,1306 6.886} {0 CHEMBL2321959,1 1.692,2 8.458,3 3.935,4 15.482,5 86.524,6 9.18,7 0.741,8 3.728,9 3.81,10 3.447,11 3.305,12 5.103,13 3.336,14 4.157,15 4.243,16 3.847,17 3.727,18 5.553,19 3.738,20 4.415,21 4.549,22 3.929,23 3.821,24 5.719,25 3.828,26 4.504,27 4.656,28 3.929,29 3.774,30 5.879,31 3.789,32 4.453,33 4.61,34 3.846,35 3.635,36 5.902,37 3.672,38 4.334,39 4.493,40 3.695,41 3.532,42 5.829,43 3.553,44 4.156,45 4.317,46 3.456,47 3.368,48 5.591,49 3.364,50 3.966,51 4.138,52 3.178,53 3.102,54 5.574,55 3.078,56 0.204,57 0.51,58 4.544,59 2.767,60 24.906,61 2.462,62 0.287,63 0.79,64 6.532,65 4.607,66 42.139,67 4.712,68 0.371,69 1.007,70 11.307,71 6.03,72 47.295,73 6.259,74 0.549,75 1.076,76 14.185,77 6.365,78 66.508,79 6.558,80 0.669,81 0.996,82 15.018,83 5.734,84 83.212,85 5.463,86 0.605,87 0.852,88 13.807,89 5.438,90 92.503,91 5.405,92 0.461,93 0.711,94 11.162,95 4.66,96 63.28,97 4.703,98 0.474,99 0.548,100 10.251,101 4.186,102 87.79,103 4.594,104 21,105 40,106 0.3,107 0.639,108 0.759,109 0.889,110 0.909,111 0.909,112 3.23,113 0.791,114 -3.33,115 -3.31,116 -3.17,119 48.6,133 7,134 4,135 1,143 3,144 1,147 1,155 1,156 1,158 1,159 9,160 1,162 2,164 1,165 1,166 8,168 9,169 2,172 5,174 1,176 8,178 7,179 1,182 6,185 1,186 2,187 6,188 1,190 4,191 1,194 6,197 3,198 1,199 7,202 5,206 4,207 1,209 2,211 5,213 6,214 1,216 1,217 4,218 1,220 1,222 5,224 7,225 1,228 1,229 2,232 1,234 1,235 2,237 6,238 1,242 1,245 2,246 2,247 1,250 2,251 2,255 758,256 16.301,257 16.301,258 16.301,259 16.301,260 16.301,261 13.827,262 9.885,263 9.306,264 16.517,265 13.259,266 13.259,267 13.259,268 13.259,269 13.259,270 9.376,271 8.668,272 4.29,273 13.585,274 3.437,275 1.523,276 0.847,277 0.114,280 3.925,283 1,284 1,285 444,286 2.915,288 86.132,289 111.928,291 166.418,295 1.292,296 33.622,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53.5,307 203,308 4.78,309 3.584,310 7.061,311 4.339,312 3.363,313 4.741,314 1.437,315 12.183,316 3.282,317 4.516,318 3.422,319 6.595,320 4.027,321 3.047,322 4.466,323 0.894,324 10.49,325 2.986,326 4.049,327 3.101,328 5.961,329 3.67,330 2.675,331 3.547,333 8.342,334 2.65,335 3.659,336 2.529,337 5.719,338 3.223,339 2.241,340 3.094,342 7.41,343 2.197,344 3.359,345 2.333,346 5.249,347 2.89,348 1.936,349 2.668,351 5.915,352 1.84,353 3.21,354 2.078,355 4.876,356 2.712,357 1.768,358 2.514,360 5.19,361 1.663,362 3.011,363 1.815,364 4.623,365 2.488,366 1.51,367 2.251,369 4.438,370 1.473,371 2.83,372 1.59,373 3.811,374 2.339,375 1.354,376 1.983,378 2.94,379 1.329,380 2.727,381 1.455,382 3.757,383 2.204,384 1.204,385 1.739,386 2.907,387 1.188,388 2.543,389 1.39,390 3.609,391 1.977,392 1,393 1.427,394 2.398,395 0.972,396 1.982,397 0.817,398 3.336,399 1.445,400 0.477,401 0.707,402 1.268,403 0.461,404 1.921,405 0.485,406 2.821,407 1.232,408 0.246,409 0.403,411 0.408,412 0.242,413 1.003,414 0.428,415 2.498,416 0.586,417 -0.342,418 -0.436,420 -0.83,421 -0.313,422 0.823,423 -0.039,424 2.362,425 0.336,426 -0.663,427 -0.903,429 -1.64,430 -0.648,431 0.745,432 -0.41,433 2.278,434 0.248,435 -0.722,436 -1.034,438 -1.905,439 -0.696,440 11.033,441 0.46,442 0.661,443 0.028,444 35.75,445 1.49,446 20,447 0.833,448 15.75,449 0.656,450 15.003,451 0.625,452 24.367,453 0.696,454 27.115,455 1.13,456 7.328,457 0.305,458 4.269,459 0.178,460 0.121,462 0.453,466 0.792,467 0.876,468 0.678,469 0.684,470 0.703,471 0.645,472 0.424,473 1.143,474 0.635,475 0.99,476 0.389,477 0.914,478 0.756,479 1.181,480 0.853,481 1.097,482 0.666,483 1.027,484 0.928,485 1.168,486 0.981,487 1.106,488 0.892,489 1.069,490 1.219,491 0.958,492 1.073,493 0.918,494 1.185,495 0.929,496 1.148,497 0.96,498 1.042,499 0.939,500 1.148,501 0.942,502 1.102,503 0.947,504 1.156,505 1.047,506 1.139,507 1.099,508 0.908,509 0.921,510 1.103,511 1.124,512 0.962,513 1.166,514 4.5,515 0.037,516 3.111,517 2.743,518 1.606,519 1.122,520 0.653,521 0.298,522 0.222,523 0.119,524 5719,525 20241,526 2.11,527 31.4,529 7,532 4,536 1.675,537 1.946,538 3.07,539 1.819,541 1,545 59.229,546 1.692,547 3.606,548 4.282,549 5.015,550 5.129,551 5.129,552 2.527,553 4.502,554 4.556,555 3.194,556 881.487,557 7.896,558 9814.91,560 1,561 1,562 1,563 179.525,564 1.483,565 4.504,566 0.167,567 0.007,568 0.078,569 0.065,570 0.04,571 0.031,572 0.021,573 0.012,574 0.013,575 0.01,576 0.445,577 0.33,578 1,579 0.921,580 110.881,581 -0.089,582 0.193,583 -0.04,584 0.234,585 -0.088,586 0.148,587 0.156,588 -0.113,589 0.009,590 -0.051,591 0.132,592 -0.07,593 -0.056,594 -0.168,595 -0.031,596 -0.148,597 -0.026,598 -0.1,599 -0.048,600 -0.152,601 -0.05,602 -0.165,603 -0.055,604 -0.126,605 -0.128,606 0.07,607 -0.068,608 0.013,609 -0.138,610 0.001,611 -0.079,612 0.01,613 -0.013,614 0.031,615 -0.046,616 0.039,617 -0.098,618 0.014,619 -0.14,620 -0.071,621 -0.105,622 -0.105,623 0.169,624 -0.045,625 0.018,626 -0.094,627 0.217,628 -0.081,629 2.733,630 4.386,631 0.75,632 17.25,633 1.033,634 1.114,635 2.095,636 4.389,637 0.711,638 3.332,639 3.714,640 4.078,641 4.431,642 4.682,643 4.844,644 5.05,645 5.182,646 5.182,647 5.236,648 5.107,649 0.715,650 321.31,651 3.332,652 4.905,653 5.802,654 6.725,655 7.644,656 8.575,657 9.502,658 10.436,659 11.368,660 12.303,661 8.6,669 2,673 1,674 4,675 7,677 2,680 5,682 20,689 1,693 1,696 1,699 35,700 22,701 2,702 27,704 38,705 17,706 16,707 5,708 7,709 1,710 4,711 6,721 17,724 2,728 2,730 1,731 1,733 1,736 11,737 5,738 4,739 7,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,775 1,777 2,785 24,788 2,801 11.4,803 2,804 2,808 12.333,809 6.267,810 5.222,811 1.919,812 4.258,813 1.561,814 1.004,815 3.232,816 11.843,817 3.689,818 4.401,819 5.134,820 5.859,821 6.459,822 6.953,823 7.508,824 8.009,825 8.313,826 8.746,827 0.833,828 42,829 8.843,831 4.014,832 8.194,833 16.11,835 13.637,837 2.694,838 64.667,842 82.398,843 88.562,844 52.855,846 135.885,849 88.562,850 218.283,851 52.855,854 66.334,855 136.795,856 47.845,857 26.329,858 82.398,860 82.398,861 141.417,862 135.885,865 82.398,866 135.885,869 33.571,870 88.562,871 19.284,873 82.398,874 188.74,875 88.562,878 82.398,879 22.229,880 66.334,881 33.571,882 155.169,883 82.398,884 188.74,885 88.562,887 0.591,888 0.366,889 0.212,890 0.118,891 22,892 10,893 0.079,894 3,895 2,896 1.222,897 3.473,898 213.513,899 0.222,900 18,901 110.039,904 14.632,905 5.302,906 2.162,907 2.399,908 155.169,909 11.625,911 5.857,914 0.898,916 118.938,917 359.7,918 39,922 22.505,924 3.083,925 -1.066,926 36.149,927 38.993,928 0.33,929 0.703,930 0.835,931 0.978,932 1,933 1,934 4.934,935 1.354,936 5.82,937 4.438,938 4.394,939 5.088,940 1.906,941 6.723,942 4.346,943 6.197,944 1.204,945 7.435,946 2.94,947 4.111,948 5.085,950 7.794,951 4.037,952 7.547,953 1,954 9.152,955 2.907,956 6.071,957 7.47,958 2.38,959 10.955,960 5.983,961 8.94,962 0.477,963 10.927,964 2.398,965 6.621,966 8.324,968 12.871,969 6.508,970 10.367,971 0.246,972 12.74,973 1.268,974 8.077,975 10.183,976 2.976,977 15.561,978 7.948,979 11.82,980 -0.342,981 14.578,982 0.408,983 8.994,984 11.423,986 17.814,987 8.838,988 13.294,989 -0.663,990 16.436,991 -0.83,992 10.267,993 13.081,994 3.641,995 20.356,996 10.093,997 3.363,998 -0.722,999 18.308,1000 -1.64,1001 11.34,1002 14.491,1004 22.744,1005 11.139,1006 3.047,1007 12.183,1008 20.192,1009 -1.905,1010 12.551,1011 16.071,1012 4.338,1013 25.241,1014 12.329,1015 2.675,1016 10.49,1017 22.085,1018 4.741,1019 13.691,1020 17.555,1022 27.685,1023 13.441,1024 2.241,1025 8.342,1026 23.986,1027 4.466,1028 14.884,1029 19.107,1030 5.051,1031 30.171,1032 14.611,1033 1.936,1034 7.41,1035 25.893,1036 3.547,1037 16.053,1038 20.622,1040 32.639,1041 15.753,1042 1.768,1043 5.915,1044 27.806,1045 3.094,1046 17.242,1047 22.165,1048 5.77,1049 35.124,1050 16.919,1051 1.51,1052 5.19,1053 29.724,1054 2.668,1055 18.426,1056 23.693,1058 37.604,1059 18.076,1060 5512,1061 10467,1062 17.918,1063 24.881,1064 42.504,1065 43.772,1066 44.011,1067 41.715,1068 41.643,1069 59.082,1070 4.662,1071 127.778,1072 40.565,1073 5.475,1074 5.584,1075 6.742,1076 5.379,1077 5.363,1078 7.741,1079 2.873,1080 19.892,1081 5.282,1082 12.169,1083 1.574,1084 1.621,1085 1.63,1086 1.545,1087 1.542,1088 2.188,1089 0.173,1090 4.733,1091 1.502,1092 4.204,1093 4.232,1094 4.179,1095 4.116,1096 7.529,1097 4.128,1098 4.025,1099 4.053,1100 3.988,1101 3.943,1102 7.475,1103 3.95,1104 3.562,1105 3.577,1106 3.526,1107 3.423,1108 6.473,1109 3.44,1110 3.382,1111 3.422,1112 3.306,1113 3.198,1114 6.351,1115 3.221,1116 3.096,1117 3.132,1118 3.038,1119 2.878,1120 4.966,1121 2.896,1122 3.042,1123 3.069,1124 2.984,1125 2.799,1126 4.819,1127 2.796,1128 2.912,1129 2.97,1130 2.793,1131 2.658,1132 4.236,1133 2.728,1134 2.643,1135 2.687,1136 2.542,1137 2.33,1138 4.105,1139 2.359,1140 0.177,1141 0.133,1142 0.262,1143 0.161,1144 0.125,1145 4.78,1146 0.176,1147 3.584,1148 0.053,1149 7.061,1150 0.451,1151 4.339,1152 0.122,1153 3.363,1154 4.741,1155 1.437,1156 12.183,1157 3.282,1158 1.942,1159 1.926,1160 2.028,1161 2.029,1162 1.167,1163 2.026,1164 1.937,1165 1.914,1166 2.013,1167 2.014,1168 1.149,1169 2.018,1170 1.628,1171 1.595,1172 1.688,1173 1.823,1174 0.809,1175 1.784,1176 1.265,1177 1.24,1178 1.391,1179 1.538,1180 0.408,1181 1.493,1182 1.172,1183 1.139,1184 1.26,1185 1.477,1186 0.3,1187 1.401,1188 0.961,1189 0.912,1190 1.158,1191 1.175,1192 0.258,1193 1.136,1194 0.828,1195 0.791,1196 1.068,1197 1.116,1198 0.103,1199 1.099,1200 0.749,1201 0.693,1202 0.98,1203 0.985,1205 1.007,1206 4.007,1208 5.371,1209 3.045,1210 6.934,1211 5.533,1212 8.59,1213 7.735,1214 10.294,1221 19.365,1231 25.031,1232 59.229,1233 126.222,1234 149.873,1235 175.525,1236 179.525,1237 179.525,1238 46.034,1239 7.585,1240 118.54,1241 118.54,1242 22,1243 12.802,1244 4.524,1245 3.7,1246 33.63,1247 72,1248 74,1249 0.234,1250 151.361,1251 251.38,1252 361.08,1253 18462,1255 16.845,1256 0.702,1257 0.508,1258 16.845,1259 12.2,1260 11.597,1261 0.43,1262 0.264,1263 7.019,1264 11.109,1265 6.924,1266 5.697,1267 11.597,1268 7.123,1269 10.711,1270 0.268,1271 0.135,1272 10.711,1273 5.4,1274 9.459,1275 0.163,1276 0.07,1277 9.459,1278 4.046,1279 8.486,1280 0.102,1281 0.036,1282 8.486,1283 2.972,1284 6.986,1285 0.065,1286 0.019,1287 6.986,1288 2.004,1289 0.351,1290 73.393,1291 0.236,1292 22.698,1293 0.696,1294 134,1295 450.081,1296 147.577,1297 436.752,1298 588.28,1299 402,1300 165,1301 436.591,1302 178.111,1303 440.283,1304 645.69,1305 414,1306 6.201} {0 CHEMBL2321960,1 1.805,2 9.269,3 4.934,4 24.345,5 98.916,6 10.901,7 0.69,8 3.801,9 3.878,10 3.675,11 3.402,12 5.128,13 3.416,14 4.26,15 4.355,16 4.115,17 3.825,18 5.543,19 3.819,20 4.461,21 4.574,22 4.312,23 3.947,24 5.763,25 3.934,26 4.587,27 4.718,28 4.306,29 3.942,30 5.948,31 3.925,32 4.527,33 4.666,34 4.177,35 3.793,36 5.951,37 3.802,38 4.479,39 4.645,40 4.054,41 3.721,42 5.88,43 3.701,44 4.3,45 4.458,46 4.017,47 3.607,48 5.654,49 3.563,50 4.127,51 4.295,52 3.879,53 3.377,54 5.608,55 3.317,56 0.199,57 0.533,58 2.531,59 3.01,60 17.569,61 2.739,62 0.396,63 0.827,64 6.322,65 5.275,66 32.305,67 5.167,68 0.377,69 1.02,70 13.039,71 6.726,72 33.376,73 6.534,74 0.652,75 1.124,76 20.415,77 7.866,78 67.054,79 6.92,80 0.695,81 1.063,82 17.22,83 6.904,84 65.473,85 5.967,86 0.673,87 0.969,88 20.602,89 7.286,90 85.377,91 7.349,92 0.537,93 0.813,94 16.796,95 6.048,96 57.337,97 5.636,98 0.527,99 0.637,100 13.802,101 5.704,102 71.457,103 5.995,104 31,105 43,106 0.315,107 0.706,108 0.805,109 0.885,110 0.894,111 0.894,112 3.306,113 0.87,114 -3.91,115 -3.87,116 -3.67,117 1,119 47.4,123 1,133 6,134 4,135 2,143 3,144 1,147 1,155 1,159 8,161 1,162 3,165 1,166 6,168 8,172 7,174 1,176 7,178 7,182 7,185 1,186 2,187 4,190 6,194 7,197 4,199 6,202 5,206 3,209 2,211 6,213 5,216 2,217 5,222 4,224 6,228 2,229 4,237 6,242 2,245 4,250 4,255 952,256 17.671,257 17.671,258 17.671,259 17.671,260 17.671,261 15.205,262 12.516,263 9.97,264 18.17,265 14.147,266 14.147,267 14.147,268 14.147,269 14.147,270 10.181,271 9.791,272 4.5,273 14.86,274 3.443,275 1.205,276 0.639,277 0.178,278 0.125,279 0.125,280 3.998,284 1,285 522,286 3.162,288 96.489,289 124.82,291 185.829,295 1.444,296 33.463,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 57.25,307 241,308 4.798,309 3.654,310 7.087,311 4.352,312 3.38,313 4.769,314 1.674,315 12.273,316 3.286,317 4.555,318 3.457,319 6.655,320 4.061,321 3.091,322 4.513,323 0.894,324 10.694,325 2.997,326 4.094,327 3.206,328 6.099,329 3.719,330 2.735,331 3.597,333 8.751,334 2.676,335 3.832,336 2.793,337 5.951,338 3.382,339 2.448,340 3.296,342 8.152,343 2.255,344 3.398,345 2.532,346 5.357,347 2.933,348 1.982,349 2.706,351 6.223,352 1.864,353 3.238,354 2.082,355 4.967,356 2.74,357 1.806,358 2.554,360 5.282,361 1.671,362 3.139,363 2.018,364 4.849,365 2.626,366 1.685,367 2.424,369 5.071,370 1.545,371 2.881,372 1.753,373 4.229,374 2.385,375 1.418,376 2.038,378 3.595,379 1.355,380 2.798,381 1.589,382 4.107,383 2.317,384 1.35,385 1.865,386 3.387,387 1.289,388 2.578,389 1.461,390 3.793,391 2.036,392 1.079,393 1.497,394 2.618,395 1.015,396 2.157,397 1.42,398 3.483,399 1.584,400 0.67,401 0.971,402 1.771,403 0.57,404 1.932,405 1.028,406 2.87,407 1.27,408 0.315,409 0.46,411 0.49,412 0.297,413 1.47,414 0.71,415 2.645,416 1.088,417 0.14,418 0.183,420 0.201,421 0.13,422 1.207,423 0.249,424 2.514,425 0.733,426 -0.126,427 -0.16,429 -0.292,430 -0.087,431 0.861,432 -0.129,433 2.401,434 0.377,435 -0.55,436 -0.719,438 -1.32,439 -0.426,440 12.867,441 0.495,442 0.713,443 0.027,444 37,445 1.423,446 20,447 0.769,448 17,449 0.654,450 20.057,451 0.771,452 26.133,453 0.688,454 27.68,455 1.065,456 7.372,457 0.284,458 5.173,459 0.199,460 0.22,462 0.427,466 0.751,467 0.962,468 0.47,469 0.662,470 0.616,471 0.668,472 0.656,473 0.995,474 0.555,475 0.687,476 0.485,477 0.718,478 0.76,479 1.231,480 0.893,481 1.054,482 0.689,483 0.983,484 1.135,485 1.109,486 1.086,487 1.019,488 1.152,489 1.021,490 1.155,491 1.041,492 0.754,493 0.971,494 1.229,495 1.01,496 1.022,497 1.021,498 0.751,499 0.918,500 1.089,501 0.946,502 1.091,503 0.904,504 1.101,505 0.979,506 1.185,507 1.016,508 0.744,509 0.96,510 0.883,511 1.034,512 0.851,513 1.048,514 5,515 0.09,516 3.778,517 2.931,518 1.922,519 1.206,520 0.734,521 0.473,522 0.265,523 0.164,524 7039,525 26355,526 2.078,527 31.6,529 9,532 3,536 1.696,537 1.902,538 3.185,539 1.012,545 68.588,546 1.805,547 4.043,548 4.609,549 5.07,550 5.123,551 5.123,552 2.701,553 4.47,554 4.67,555 3.317,556 1077.88,557 8.124,558 12737.7,560 1,563 199.421,564 1.513,565 4.611,566 0.172,567 0.009,568 0.088,569 0.062,570 0.043,571 0.03,572 0.021,573 0.016,574 0.012,575 0.01,576 0.463,577 0.33,578 1,579 1.104,580 124.059,581 -0.053,582 0.104,583 -0.009,584 0.098,585 -0.042,586 0.082,587 0.067,588 0.019,589 0.022,590 0.135,591 0.046,592 0.113,593 -0.04,594 -0.209,595 -0.023,596 -0.153,597 -0.011,598 -0.105,599 -0.157,600 -0.087,601 -0.096,602 -0.071,603 -0.137,604 -0.117,605 -0.086,606 0.005,607 -0.039,608 -0.105,609 -0.119,610 -0.129,611 -0.01,612 -0.055,613 0.017,614 0.012,615 0.018,616 0.062,617 -0.105,618 0.092,619 -0.029,620 0.02,621 -0.128,622 -0.027,623 0.271,624 -0.079,625 0.127,626 0.001,627 0.274,628 0.048,629 2.15,630 4.742,631 0.692,632 20.68,633 1.033,634 1.112,635 2.679,636 7.179,637 0.737,638 3.401,639 3.784,640 4.159,641 4.5,642 4.754,643 4.934,644 5.136,645 5.303,646 5.333,647 5.389,648 5.498,649 0.726,650 414.23,651 3.401,652 4.977,653 5.878,654 6.801,655 7.724,656 8.655,657 9.585,658 10.521,659 11.455,660 12.393,661 7.9,669 2,673 1,674 4,675 6,677 2,680 6,682 20,690 1,693 1,696 1,698 1,699 38,700 22,701 2,702 29,703 1,704 41,705 18,706 16,707 6,708 6,709 1,710 4,711 6,721 17,722 1,724 2,728 2,730 1,731 1,736 12,737 5,738 3,739 8,740 1,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,777 2,780 1,781 1,785 26,788 1,791 1,800 1,801 10.5,803 1,804 2,806 1,808 13.667,809 7.293,810 5.75,811 2.065,812 4.27,813 1.549,814 1.013,815 4.151,816 12.042,817 3.738,818 4.449,819 5.19,820 5.905,821 6.507,822 7.016,823 7.563,824 8.083,825 8.413,826 8.839,827 1,828 47,829 9.574,831 4.252,832 8.061,833 17.614,835 14.679,837 2.561,838 66.583,842 105.94,843 99.306,844 98.809,846 104.202,849 145.26,850 210.142,851 52.855,852 10.883,854 56.857,855 100.393,856 61.9,857 26.329,858 105.94,859 45.954,860 105.94,861 152.161,862 104.202,864 45.954,865 105.94,866 104.202,869 33.571,870 99.306,871 19.284,872 45.954,873 105.94,874 157.056,875 145.26,878 105.94,879 31.565,880 67.741,881 79.525,882 123.485,883 105.94,884 157.056,885 145.26,887 0.59,888 0.375,889 0.211,890 0.115,891 23,892 11,893 0.098,894 4,895 2,896 1.222,897 3.601,898 237.828,899 0.222,900 18,901 122.211,904 16.972,905 6.359,906 2.598,907 2.514,908 123.485,909 10.267,911 5.992,914 2.007,916 76.254,917 408.256,918 41,922 23.266,924 3.146,925 -0.484,926 39.262,927 42.25,928 0.344,929 0.77,930 0.878,931 0.966,932 0.976,933 0.976,934 4.99,935 1.418,936 5.9,937 5.071,938 4.466,939 5.136,940 2.105,941 6.81,942 4.378,943 6.255,944 1.35,945 7.523,946 3.595,947 4.205,948 5.165,950 7.897,951 4.069,952 7.609,953 1.079,954 9.247,955 3.387,956 6.155,957 7.525,958 2.89,959 11.058,960 6.012,961 9.007,962 0.67,963 11.027,964 2.618,965 6.723,966 8.403,968 12.975,969 6.541,970 10.439,971 0.315,972 12.843,973 1.771,974 8.168,975 10.246,976 3.831,977 15.668,978 7.977,979 11.896,980 0.14,981 14.684,982 0.49,983 9.094,984 11.502,986 17.92,987 8.869,988 13.373,989 -0.126,990 16.544,991 0.201,992 10.363,993 13.154,994 4.831,995 20.465,996 10.122,997 3.38,998 -0.55,999 18.418,1000 -0.292,1001 11.442,1002 14.574,1004 22.853,1005 11.169,1006 3.091,1007 12.273,1008 20.303,1009 -1.32,1010 12.651,1011 16.155,1012 5.852,1013 25.354,1014 12.358,1015 2.735,1016 10.694,1017 22.197,1018 4.769,1019 13.795,1020 17.646,1022 27.8,1023 13.471,1024 2.448,1025 8.751,1026 24.098,1027 4.513,1028 14.988,1029 19.202,1030 6.88,1031 30.29,1032 14.64,1033 1.982,1034 8.152,1035 26.007,1036 3.597,1037 16.16,1038 20.723,1040 32.762,1041 15.784,1042 1.806,1043 6.223,1044 27.92,1045 3.296,1046 17.352,1047 22.271,1048 7.91,1049 35.252,1050 16.949,1051 1.685,1052 5.282,1053 29.838,1054 2.706,1055 18.538,1056 23.806,1058 37.736,1059 18.107,1060 6842,1061 13332,1062 19.016,1063 27.994,1064 44.984,1065 47.459,1066 47.908,1067 44.419,1068 44.198,1069 61.743,1070 5.138,1071 137.02,1072 41.9,1073 5.5,1074 5.654,1075 6.63,1076 5.393,1077 5.38,1078 7.769,1079 3.349,1080 20.015,1081 5.286,1082 14.439,1083 1.551,1084 1.637,1085 1.652,1086 1.532,1087 1.524,1088 2.129,1089 0.177,1090 4.725,1091 1.445,1092 4.205,1093 4.231,1094 6.881,1095 4.124,1096 7.529,1097 4.132,1098 4.027,1099 4.052,1100 4.164,1101 3.957,1102 7.433,1103 3.958,1104 3.587,1105 3.599,1106 3.955,1107 3.444,1108 6.473,1109 3.456,1110 3.4,1111 3.437,1112 3.539,1113 3.222,1114 4.967,1115 3.241,1116 3.237,1117 3.298,1118 3.287,1119 2.977,1120 4.817,1121 2.992,1122 3.051,1123 3.109,1124 3.119,1125 2.916,1126 4.499,1127 2.861,1128 2.935,1129 2.968,1130 2.986,1131 2.825,1132 4.227,1133 2.83,1134 2.888,1135 2.923,1136 2.736,1137 2.547,1138 4.101,1139 2.594,1140 0.165,1141 0.126,1142 0.244,1143 0.15,1144 0.117,1145 4.798,1146 0.164,1147 3.654,1148 0.058,1149 7.087,1150 0.423,1151 4.352,1152 0.113,1153 3.38,1154 4.769,1155 1.674,1156 12.273,1157 3.286,1158 1.942,1159 1.927,1160 2.014,1161 2.03,1162 1.173,1163 2.024,1164 1.934,1165 1.916,1166 1.982,1167 1.993,1168 1.153,1169 2.001,1170 1.627,1171 1.596,1172 1.675,1173 1.82,1174 0.809,1175 1.78,1176 1.31,1177 1.29,1178 1.596,1179 1.621,1180 0.584,1181 1.599,1182 1.237,1183 1.179,1184 1.384,1185 1.534,1186 0.403,1187 1.491,1188 1.044,1189 0.977,1190 1.203,1191 1.3,1192 0.299,1193 1.273,1194 0.96,1195 0.912,1196 1.151,1197 1.114,1198 0.258,1199 1.127,1200 0.786,1201 0.741,1202 0.998,1203 1.088,1204 0.073,1205 1.04,1206 4.078,1208 5.442,1209 3.045,1210 7.011,1211 5.533,1212 8.672,1213 7.743,1214 10.382,1215 3.431,1216 1.299,1221 10.424,1224 4.723,1231 27.583,1232 68.588,1233 153.647,1234 175.157,1235 192.666,1236 194.666,1237 194.666,1238 49.896,1239 7.772,1240 107.54,1241 107.54,1242 22,1243 12.89,1244 4.524,1245 3.7,1246 37.824,1247 84,1248 98,1249 0.225,1250 172.867,1251 287.96,1252 413.555,1253 23202,1254 2.6,1255 18.422,1256 0.709,1257 0.579,1258 19.422,1259 15.047,1260 12.545,1261 0.433,1262 0.29,1263 7.536,1264 11.442,1265 7.334,1266 6.045,1267 13.123,1268 8.41,1269 11.38,1270 0.265,1271 0.152,1272 12.122,1273 6.557,1274 10.444,1275 0.166,1276 0.079,1277 11.161,1278 4.958,1279 9.057,1280 0.102,1281 0.04,1282 9.645,1283 3.59,1284 7.406,1285 0.064,1286 0.021,1287 7.963,1288 2.417,1289 0.341,1290 87.994,1291 0.229,1292 24.386,1293 0.661,1294 144,1295 492.322,1296 224.223,1297 508.853,1298 677.03,1299 470,1300 178,1301 472.839,1302 227.464,1303 490.494,1304 721.11,1305 459,1306 5} {0 CHEMBL2321961,1 1.913,2 10.034,3 5.128,4 26.296,5 97.267,6 9.838,7 0.625,8 3.89,9 3.969,10 3.651,11 3.41,12 5.279,13 3.469,14 4.397,15 4.495,16 4.13,17 3.82,18 6.178,19 3.875,20 4.549,21 4.664,22 4.185,23 3.941,24 5.98,25 3.991,26 4.747,27 4.887,28 4.271,29 3.944,30 6.299,31 4.016,32 4.73,33 4.877,34 4.198,35 3.842,36 6.305,37 3.933,38 4.624,39 4.786,40 4.032,41 3.728,42 6.325,43 3.778,44 4.461,45 4.628,46 3.868,47 3.599,48 5.987,49 3.646,50 4.373,51 4.544,52 3.806,53 3.413,54 6.069,55 3.486,56 0.379,57 0.82,58 3.984,59 3.572,60 51.909,61 2.891,62 1.111,63 1.659,64 9.467,65 6.146,66 163.679,67 5.297,68 0.762,69 1.5,70 9.617,71 7.151,72 100.317,73 6.583,74 1.303,75 1.765,76 15.992,77 7.961,78 162.294,79 6.818,80 1.389,81 1.709,82 17.235,83 7.916,84 191.554,85 6.261,86 1.456,87 1.275,88 18.664,89 7.426,90 229.221,91 7.31,92 1.049,93 1.238,94 14.379,95 6.008,96 132.413,97 5.597,98 1.088,99 1.221,100 14.559,101 6.069,102 165.127,103 6.05,104 60,105 49,106 0.329,107 0.71,108 0.801,109 0.874,110 0.883,111 0.883,112 3.409,113 0.773,114 -4.13,115 -4.08,116 -3.86,119 46.3,123 1,127 1,133 6,134 5,135 1,143 3,144 1,147 1,155 1,159 9,161 1,162 3,165 1,166 7,168 9,172 7,174 1,176 6,178 7,182 7,185 1,186 2,187 5,190 4,194 7,197 4,199 6,202 5,206 4,209 2,211 5,213 6,216 2,217 5,222 4,224 7,228 2,229 3,237 6,242 2,245 4,250 2,255 1276,256 19.143,257 19.143,258 19.143,259 19.143,260 19.143,261 16.768,262 15.326,263 10.664,264 19.758,265 15.642,266 15.642,267 15.642,268 15.642,269 15.642,270 11.732,271 13.269,272 4.831,273 16.549,274 3.445,275 1.232,276 0.708,277 0.281,278 0.232,279 0.232,280 4.096,284 1,285 621,286 4,288 110.116,289 143.739,291 213.094,295 1.56,296 62.054,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 68,307 291,308 4.828,309 4.47,310 7.322,311 4.41,312 3.469,313 4.783,314 3.825,315 12.75,316 3.319,317 4.619,318 3.654,319 7.014,320 4.211,321 3.28,322 4.532,323 1.674,324 11.841,325 3.082,326 4.285,327 3.425,328 6.574,329 3.927,330 2.984,331 3.693,332 0.894,333 10.348,334 2.782,335 4.053,336 3.112,337 6.038,338 3.683,339 2.704,340 3.476,342 8.6,343 2.608,344 3.584,345 2.533,346 5.794,347 3.171,348 2.224,349 2.883,351 7.614,352 2.072,353 3.362,354 2.434,355 5.302,356 2.9,357 1.954,358 2.666,360 6.065,361 1.833,362 3.207,363 2.081,364 4.903,365 2.712,366 1.772,367 2.504,369 5.215,370 1.659,371 3.018,372 1.862,373 4.802,374 2.517,375 1.561,376 2.222,378 4.82,379 1.472,380 2.838,381 1.619,382 4.193,383 2.354,384 1.38,385 1.985,386 3.485,387 1.334,388 2.794,389 1.587,390 4.107,391 2.313,392 1.349,393 1.851,394 3.346,395 1.283,396 2.556,397 1.46,398 3.793,399 2.012,400 1.048,401 1.459,402 2.573,403 1.005,404 2.054,405 1.416,406 3.496,407 1.524,408 0.57,409 0.829,411 1.615,412 0.54,413 1.931,414 0.883,415 2.942,416 1.269,417 0.314,418 0.459,420 0.484,421 0.296,422 1.47,423 0.603,424 2.754,425 1.088,426 0.138,427 0.182,429 0.199,430 0.129,431 1.082,432 0.51,433 2.626,434 0.676,435 -0.254,436 -0.321,438 -0.638,439 -0.233,440 12.89,441 0.444,442 1.001,443 0.035,444 39.25,445 1.353,446 20,447 0.69,448 19.25,449 0.664,450 21.856,451 0.754,452 31.51,453 0.769,454 35.743,455 1.233,456 8.25,457 0.284,458 5.507,459 0.19,460 0.183,461 0.039,462 0.427,463 3,466 0.66,467 0.856,468 0.579,469 0.865,470 0.621,471 0.745,472 0.494,473 0.706,474 0.559,475 0.799,476 0.401,477 0.766,478 0.661,479 0.996,480 0.69,481 1.153,482 0.601,483 1.037,484 0.972,485 0.954,486 0.99,487 1.027,488 0.993,489 1.028,490 1.237,491 1.129,492 1.152,493 1.061,494 1.234,495 1.038,496 0.824,497 0.819,498 0.946,499 0.919,500 0.817,501 0.975,502 0.95,503 0.784,504 1.083,505 0.924,506 1.023,507 1.022,508 0.997,509 1.067,510 0.947,511 1.105,512 1.095,513 1.051,514 7,515 0.167,516 4.444,517 3.556,518 2.129,519 1.855,520 0.857,521 0.579,522 0.532,523 0.215,524 9220,525 40008,526 2.021,527 29.3,529 9,532 3,536 1.725,537 1.822,538 3.282,539 0.994,545 78.42,546 1.913,547 4.125,548 4.65,549 5.077,550 5.126,551 5.126,552 2.767,553 4.556,554 4.827,555 3.442,556 1397.28,557 8.439,558 17865.4,563 219.66,564 1.723,565 4.745,566 0.219,567 0.01,568 0.091,569 0.067,570 0.039,571 0.038,572 0.021,573 0.017,574 0.017,575 0.008,576 0.527,577 0.33,578 1,579 1.169,580 143.909,581 -0.056,582 0.018,583 -0.017,584 0.096,585 -0.08,586 0.086,587 0.304,588 0.305,589 0.149,590 0.198,591 0.325,592 0.112,593 -0.039,594 -0.171,595 0.018,596 -0.194,597 -0.002,598 -0.112,599 -0.103,600 -0.031,601 -0.114,602 -0.093,603 -0.12,604 -0.113,605 -0.244,606 -0.13,607 -0.202,608 -0.117,609 -0.232,610 -0.116,611 0.078,612 -0.02,613 0.091,614 0.039,615 0.099,616 0.064,617 -0.066,618 0.105,619 -0.099,620 0.016,621 -0.128,622 -0.033,623 0.06,624 -0.056,625 0.161,626 -0.102,627 -0.004,628 0.006,629 5.893,630 5.306,631 0.621,632 25.241,633 1.06,634 1.143,635 2.905,636 8.436,637 0.688,638 3.497,639 3.912,640 4.248,641 4.595,642 4.852,643 5.056,644 5.283,645 5.429,646 5.517,647 5.609,648 5.96,649 0.713,650 403.34,651 3.497,652 5.094,653 5.989,654 6.927,655 7.846,656 8.788,657 9.717,658 10.661,659 11.595,660 12.541,661 7.3,669 2,673 1,674 4,675 6,677 2,680 6,682 20,690 1,693 1,696 1,699 41,700 22,701 2,702 32,704 44,705 19,706 16,707 6,708 6,709 1,710 4,711 6,715 1,718 1,721 17,722 2,724 2,728 2,730 1,731 1,734 3,736 12,737 8,738 3,739 10,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,777 2,781 1,783 3,785 29,788 1,791 1,795 1,800 3,801 9.8,803 1,804 2,806 1,808 15.917,809 7.829,810 6.25,811 2.199,812 4.325,813 1.538,814 1.004,815 4.451,816 12.361,817 3.807,818 4.516,819 5.239,820 5.959,821 6.566,822 7.086,823 7.649,824 8.152,825 8.521,826 8.971,827 0.857,828 53,829 11.32,831 5.672,832 8.572,833 18.966,835 15.854,837 3.072,838 89.083,841 1,842 105.94,843 107.196,844 52.855,846 104.202,847 44.88,849 107.196,850 210.142,851 97.735,852 10.883,854 56.857,855 100.393,856 106.911,857 26.329,858 105.94,859 7.76,860 105.94,861 160.05,862 149.082,865 105.94,866 149.082,869 41.331,870 99.436,871 19.284,873 150.82,874 157.056,875 107.196,878 113.699,879 31.696,880 67.741,881 33.571,882 168.366,883 105.94,884 201.937,885 107.196,887 0.601,888 0.366,889 0.203,890 0.111,891 26,892 13,893 0.091,894 4,895 2,896 1.222,897 3.752,898 277.797,899 0.222,900 18,901 136.127,904 19.186,905 6.728,906 2.994,907 0.404,908 168.366,909 7.786,911 5.198,914 -1.419,916 76.254,917 415.072,918 44,922 23.247,924 2.984,925 -0.603,926 43.454,927 46.843,928 0.357,929 0.77,930 0.868,931 0.948,932 0.957,933 0.957,934 5.088,935 1.561,936 6.052,937 5.215,938 4.595,939 5.204,940 3.334,941 6.997,942 4.496,943 6.369,944 1.38,945 7.704,946 4.82,947 4.511,948 5.293,949 3.903,950 8.263,951 4.298,952 7.739,953 1.349,954 9.461,955 3.485,956 6.361,957 7.588,958 5.493,959 11.366,960 6.165,961 9.15,962 1.048,963 11.279,964 3.346,965 7.057,966 8.489,967 6.69,968 13.403,969 6.757,970 10.592,971 0.57,972 13.134,973 2.573,974 8.464,975 10.306,976 8.072,977 16.094,978 8.159,979 12.058,980 0.314,981 15.015,982 1.615,983 9.471,984 11.569,985 9.388,986 18.42,987 9.083,988 13.542,989 0.138,990 16.913,991 0.484,992 10.737,993 13.21,994 10.737,995 20.986,996 10.324,997 3.469,998 -0.254,999 18.825,1000 0.199,1001 11.866,1002 14.632,1003 12.074,1004 23.425,1005 11.387,1006 3.28,1007 12.75,1008 20.748,1009 -0.638,1010 13.089,1011 16.209,1012 13.417,1013 25.954,1014 12.573,1015 2.984,1016 11.841,1017 22.68,1018 4.783,1019 14.267,1020 17.701,1021 14.758,1022 28.439,1023 13.696,1024 2.704,1025 10.348,1026 24.618,1027 4.532,1028 15.48,1029 19.255,1030 16.1,1031 30.959,1032 14.867,1033 2.224,1034 8.6,1035 26.562,1036 3.693,1037 16.68,1038 20.778,1039 17.441,1040 33.465,1041 16.017,1042 1.954,1043 7.614,1044 28.511,1045 3.476,1046 17.893,1047 22.325,1048 18.783,1049 35.986,1050 17.186,1051 1.772,1052 6.065,1053 30.463,1054 2.883,1055 19.104,1056 23.862,1057 20.124,1058 38.502,1059 18.35,1060 9062,1061 18999,1062 20.403,1063 28.216,1064 50.697,1065 51.73,1066 53.175,1067 49.757,1068 49.497,1069 67.045,1070 12.788,1071 157.91,1072 46.828,1073 5.53,1074 6.47,1075 6.866,1076 5.451,1077 5.469,1078 7.783,1079 5.5,1080 20.739,1081 5.319,1082 18.391,1083 1.584,1084 1.617,1085 1.662,1086 1.555,1087 1.547,1088 2.095,1089 0.4,1090 4.935,1091 1.463,1092 4.212,1093 4.238,1094 4.19,1095 4.123,1096 8.513,1097 4.136,1098 4.038,1099 4.065,1100 4.01,1101 3.955,1102 7.999,1103 3.963,1104 3.605,1105 3.62,1106 3.581,1107 3.448,1108 7.999,1109 3.47,1110 3.458,1111 3.487,1112 3.447,1113 3.229,1114 7.529,1115 3.265,1116 3.278,1117 3.329,1118 3.225,1119 3.025,1120 7.433,1121 3.063,1122 3.236,1123 3.297,1124 3.119,1125 2.961,1126 6.473,1127 2.983,1128 3.048,1129 3.107,1130 2.984,1131 2.826,1132 4.958,1133 2.833,1134 2.891,1135 2.926,1136 2.736,1137 2.555,1138 4.79,1139 2.602,1140 0.151,1141 0.14,1142 0.229,1143 0.138,1144 0.108,1145 4.828,1146 0.149,1147 4.47,1148 0.12,1149 7.322,1150 0.398,1151 4.41,1152 0.104,1153 3.469,1154 4.783,1155 3.825,1156 12.75,1157 3.319,1158 1.953,1159 1.936,1160 2.019,1161 2.04,1162 1.192,1163 2.032,1164 1.941,1165 1.923,1166 2.014,1167 2.027,1168 1.156,1169 2.022,1170 1.636,1171 1.606,1172 1.687,1173 1.827,1174 0.823,1175 1.787,1176 1.312,1177 1.292,1178 1.596,1179 1.621,1180 0.584,1181 1.599,1182 1.242,1183 1.186,1184 1.39,1185 1.534,1186 0.417,1187 1.492,1188 1.044,1189 0.991,1190 1.203,1191 1.422,1192 0.299,1193 1.307,1194 1.032,1195 0.977,1196 1.157,1197 1.3,1198 0.259,1199 1.273,1200 0.947,1201 0.902,1202 1.104,1203 1.112,1204 0.139,1205 1.123,1206 4.174,1208 5.565,1209 3.045,1210 7.148,1211 5.533,1212 8.818,1213 7.743,1214 10.537,1216 1.216,1218 39.918,1221 10.343,1224 4.653,1228 -4.643,1231 29.234,1232 78.42,1233 169.13,1234 190.64,1235 208.15,1236 210.15,1237 210.15,1238 81.662,1239 8.036,1240 107.54,1241 107.54,1242 22,1243 13.035,1244 4.524,1245 3.7,1246 44.484,1247 102,1248 119,1249 0.219,1250 174.14,1251 304.19,1252 416.661,1253 32067,1254 7.3,1255 20.922,1256 0.721,1257 0.507,1258 18.422,1259 14.717,1260 13.757,1261 0.43,1262 0.258,1263 8.039,1264 12.896,1265 7.94,1266 6.505,1267 12.545,1268 8.245,1269 13.376,1270 0.273,1271 0.128,1272 11.38,1273 6.266,1274 11.198,1275 0.162,1276 0.067,1277 10.444,1278 4.653,1279 9.839,1280 0.1,1281 0.035,1282 9.057,1283 3.396,1284 8.008,1285 0.063,1286 0.018,1287 7.406,1288 2.274,1289 0.332,1290 89.141,1291 0.221,1292 26.758,1293 0.635,1294 162,1295 750,1296 193.369,1297 635.196,1298 825.65,1299 584,1300 199,1301 583.106,1302 224.083,1303 568.607,1304 855.93,1305 531,1306 6.959} {0 CHEMBL2321962,1 1.83,2 8.56,3 4.683,4 21.931,5 94.147,6 11.434,7 0.714,8 3.734,9 3.806,10 3.637,11 3.354,12 5.112,13 3.371,14 4.164,15 4.239,16 4.094,17 3.79,18 5.568,19 3.785,20 4.426,21 4.541,22 4.279,23 3.906,24 5.751,25 3.893,26 4.516,27 4.648,28 4.272,29 3.884,30 5.906,31 3.867,32 4.462,33 4.605,34 4.138,35 3.699,36 5.938,37 3.722,38 4.343,39 4.487,40 4.008,41 3.608,42 5.848,43 3.611,44 4.171,45 4.308,46 3.971,47 3.499,48 5.625,49 3.466,50 3.98,51 4.13,52 3.826,53 3.241,54 5.638,55 3.199,56 0.228,57 0.492,58 1.784,59 2.654,60 26.488,61 2.134,62 0.324,63 0.757,64 1.744,65 4.424,66 44.563,67 4.186,68 0.442,69 0.976,70 11.413,71 6.378,72 51.431,73 5.896,74 0.622,75 1.058,76 17.595,77 7.282,78 70.626,79 6.374,80 0.737,81 0.997,82 16.747,83 6.515,84 84.379,85 5.36,86 0.667,87 0.845,88 15.86,89 6.083,90 96.201,91 5.364,92 0.516,93 0.698,94 13.223,95 5.35,96 66.312,97 4.631,98 0.523,99 0.543,100 10.34,101 4.811,102 87.956,103 4.625,104 30,105 42,106 0.324,107 0.681,108 0.8,109 0.899,110 0.909,111 0.909,112 3.269,113 0.859,114 -3.68,115 -3.65,116 -3.47,117 1,119 48.6,133 6,134 4,135 2,143 3,144 1,147 1,155 1,156 1,158 1,159 8,160 1,162 2,164 1,165 1,166 7,168 8,169 2,172 5,174 1,176 9,178 7,179 1,182 6,185 1,186 2,187 5,188 1,190 6,191 1,194 6,197 3,198 1,199 7,202 5,206 3,207 1,209 2,211 6,213 5,214 1,216 1,217 4,218 1,220 1,222 5,224 6,225 1,228 1,229 3,232 1,234 1,235 2,237 6,238 1,242 1,245 2,246 2,247 1,250 4,251 1,255 847,256 16.801,257 16.801,258 16.801,259 16.801,260 16.801,261 14.282,262 11.529,263 9.468,264 17.149,265 13.727,266 13.727,267 13.727,268 13.727,269 13.727,270 9.768,271 9.343,272 4.345,273 14.336,274 3.299,275 1.286,276 0.615,277 0.057,280 3.96,284 1,285 465,286 3,288 90.164,289 117.709,291 174.684,295 1.338,296 35.452,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 55.25,307 214,308 4.798,309 3.584,310 7.087,311 4.352,312 3.38,313 4.769,314 1.437,315 12.272,316 3.286,317 4.554,318 3.454,319 6.654,320 4.058,321 3.089,322 4.512,323 0.894,324 10.691,325 2.995,326 4.07,327 3.204,328 6.074,329 3.687,330 2.699,331 3.583,333 8.615,334 2.655,335 3.823,336 2.792,337 5.885,338 3.374,339 2.438,340 3.285,342 7.966,343 2.249,344 3.382,345 2.529,346 5.341,347 2.915,348 1.959,349 2.688,351 6.152,352 1.852,353 3.238,354 2.079,355 4.967,356 2.739,357 1.805,358 2.553,360 5.282,361 1.671,362 3.138,363 2.015,364 4.845,365 2.625,366 1.684,367 2.422,369 5.065,370 1.542,371 2.869,372 1.747,373 4.229,374 2.368,375 1.392,376 2.03,378 3.558,379 1.348,380 2.742,381 1.589,382 3.811,383 2.227,384 1.237,385 1.765,386 2.935,387 1.203,388 2.571,389 1.42,390 3.763,391 2.012,392 1.041,393 1.473,394 2.537,395 0.993,396 2.157,397 1.029,398 3.482,399 1.584,400 0.67,401 0.971,402 1.766,403 0.57,404 1.926,405 0.715,406 2.864,407 1.234,408 0.25,409 0.408,411 0.425,412 0.245,413 1.207,414 0.434,415 2.545,416 0.734,417 -0.125,418 -0.159,420 -0.291,421 -0.086,422 0.861,423 0.248,424 2.419,425 0.378,426 -0.548,427 -0.717,429 -1.319,430 -0.425,431 0.815,432 -0.176,433 2.339,434 0.323,435 -0.67,436 -0.911,438 -1.685,439 -0.651,440 12.367,441 0.495,442 0.751,443 0.03,444 36.25,445 1.45,446 20,447 0.8,448 16.25,449 0.65,450 18.727,451 0.749,452 24.833,453 0.71,454 26.618,455 1.065,456 7.145,457 0.286,458 4.862,459 0.194,460 0.216,462 0.445,466 0.8,467 0.845,468 0.471,469 0.542,470 0.71,471 0.573,472 0.444,473 1.104,474 0.554,475 0.782,476 0.393,477 0.821,478 0.767,479 1.193,480 0.881,481 1.032,482 0.671,483 1.011,484 0.983,485 1.149,486 1.079,487 1.068,488 0.92,489 1.081,490 1.177,491 0.975,492 0.745,493 0.911,494 1.17,495 0.947,496 1.142,497 0.991,498 0.814,499 0.922,500 1.162,501 0.959,502 1.114,503 0.955,504 1.17,505 1.054,506 1.163,507 1.084,508 0.843,509 0.888,510 0.968,511 1.039,512 0.897,513 1.063,514 5,515 0.07,516 3.556,517 2.931,518 1.922,519 1.178,520 0.694,521 0.432,522 0.241,523 0.144,524 6282,525 24936,526 2.081,527 28.6,529 6,532 4,536 1.686,537 1.899,538 3.095,539 1.815,545 64.064,546 1.83,547 3.843,548 4.515,549 5.072,550 5.129,551 5.129,552 2.539,553 4.404,554 4.615,555 3.232,556 969.58,557 8.015,558 11108.8,560 1,563 179.525,564 1.516,565 4.552,566 0.179,567 0.012,568 0.085,569 0.065,570 0.045,571 0.031,572 0.021,573 0.016,574 0.012,575 0.01,576 0.475,577 0.33,578 1,579 0.942,580 117.207,581 -0.102,582 0.207,583 -0.018,584 0.192,585 -0.09,586 0.145,587 0.144,588 -0.098,589 0.004,590 -0.008,591 0.134,592 -0.047,593 -0.055,594 -0.191,595 -0.029,596 -0.138,597 -0.028,598 -0.113,599 -0.101,600 -0.132,601 -0.091,602 -0.118,603 -0.084,604 -0.144,605 -0.102,606 0.069,607 -0.018,608 -0.026,609 -0.121,610 -0.015,611 -0.083,612 -0.012,613 -0.017,614 0.011,615 -0.059,616 0.028,617 -0.108,618 0.007,619 -0.043,620 -0.026,621 -0.132,622 -0.076,623 0.241,624 -0.008,625 0.114,626 0.027,627 0.286,628 0.054,629 2.738,630 4.443,631 0.72,632 18.666,633 1.039,634 1.11,635 2.449,636 6,637 0.75,638 3.367,639 3.761,640 4.127,641 4.477,642 4.736,643 4.913,644 5.106,645 5.257,646 5.278,647 5.328,648 5.243,649 0.744,650 400.2,651 3.367,652 4.949,653 5.849,654 6.777,655 7.699,656 8.633,657 9.564,658 10.501,659 11.435,660 12.374,661 8.6,669 2,673 1,674 4,675 6,677 2,680 6,682 20,689 1,693 1,696 1,698 1,699 35,700 22,701 2,702 28,703 1,704 38,705 17,706 16,707 6,708 6,709 1,710 4,711 6,721 17,724 2,728 2,730 1,731 1,733 1,736 10,737 5,738 4,739 8,740 1,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,775 1,777 2,780 1,785 25,788 2,800 1,801 11.4,803 2,804 2,808 13.167,809 6.326,810 5.417,811 1.907,812 4.286,813 1.557,814 1.007,815 3.723,816 11.977,817 3.714,818 4.437,819 5.173,820 5.897,821 6.5,822 7.007,823 7.549,824 8.065,825 8.39,826 8.814,827 0.833,828 45,829 9.212,831 4.177,832 8.183,833 16.781,835 14.204,837 2.683,838 67.083,842 70.627,843 82.141,844 98.809,846 135.885,849 128.095,850 206.512,851 52.855,854 56.857,855 136.795,856 50.9,857 26.329,858 70.627,859 45.954,860 70.627,861 134.996,862 135.885,864 45.954,865 70.627,866 135.885,869 33.571,870 82.141,871 19.284,872 45.954,873 70.627,874 188.74,875 128.095,878 70.627,879 25.284,880 56.857,881 79.525,882 155.169,883 70.627,884 188.74,885 128.095,887 0.596,888 0.371,889 0.211,890 0.118,891 23,892 11,893 0.079,894 3,895 2,896 1.222,897 3.512,898 226.916,899 0.222,900 18,901 116.096,904 16.025,905 5.809,906 2.398,907 2.311,908 155.169,909 9.791,911 5.883,914 1.577,916 118.938,917 387.462,918 40,922 22.595,924 3.094,925 -1.072,926 36.378,927 38.835,928 0.357,929 0.749,930 0.88,931 0.989,932 1,933 1,934 4.97,935 1.392,936 5.878,937 5.065,938 4.443,939 5.124,940 1.906,941 6.79,942 4.362,943 6.241,944 1.237,945 7.503,946 3.558,947 4.205,948 5.165,950 7.879,951 4.069,952 7.598,953 1.041,954 9.227,955 2.935,956 6.133,957 7.518,958 2.38,959 11.039,960 5.999,961 8.997,962 0.67,963 11.008,964 2.537,965 6.711,966 8.399,968 12.958,969 6.532,970 10.429,971 0.25,972 12.825,973 1.766,974 8.15,975 10.242,976 2.976,977 15.653,978 7.966,979 11.886,980 -0.125,981 14.667,982 0.425,983 9.08,984 11.498,986 17.907,987 8.859,988 13.363,989 -0.548,990 16.527,991 -0.291,992 10.347,993 13.151,994 3.641,995 20.454,996 10.112,997 3.38,998 -0.67,999 18.401,1000 -1.319,1001 11.428,1002 14.572,1004 22.845,1005 11.16,1006 3.089,1007 12.272,1008 20.287,1009 -1.685,1010 12.638,1011 16.153,1012 4.338,1013 25.347,1014 12.349,1015 2.699,1016 10.691,1017 22.182,1018 4.769,1019 13.782,1020 17.644,1022 27.794,1023 13.463,1024 2.438,1025 8.615,1026 24.084,1027 4.512,1028 14.977,1029 19.2,1030 5.051,1031 30.285,1032 14.632,1033 1.959,1034 7.966,1035 25.993,1036 3.583,1037 16.15,1038 20.722,1040 32.758,1041 15.776,1042 1.805,1043 6.152,1044 27.907,1045 3.285,1046 17.342,1047 22.269,1048 5.77,1049 35.249,1050 16.942,1051 1.684,1052 5.282,1053 29.826,1054 2.688,1055 18.529,1056 23.805,1058 37.734,1059 18.1,1060 6091,1061 12221,1062 18.323,1063 26.233,1064 44.249,1065 45.754,1066 46.277,1067 43.552,1068 43.286,1069 60.919,1070 4.662,1071 134.531,1072 41.217,1073 5.494,1074 5.584,1075 6.614,1076 5.392,1077 5.38,1078 7.769,1079 2.873,1080 20.014,1081 5.286,1082 13.992,1083 1.58,1084 1.634,1085 1.653,1086 1.555,1087 1.546,1088 2.176,1089 0.167,1090 4.805,1091 1.472,1092 4.205,1093 4.231,1094 6.881,1095 4.124,1096 7.529,1097 4.132,1098 4.026,1099 4.052,1100 4.164,1101 3.957,1102 7.475,1103 3.958,1104 3.563,1105 3.576,1106 3.955,1107 3.438,1108 6.473,1109 3.447,1110 3.384,1111 3.421,1112 3.515,1113 3.208,1114 6.351,1115 3.228,1116 3.096,1117 3.132,1118 3.28,1119 2.939,1120 4.963,1121 2.91,1122 3.042,1123 3.069,1124 3.037,1125 2.857,1126 4.814,1127 2.842,1128 2.927,1129 2.96,1130 2.98,1131 2.667,1132 4.239,1133 2.739,1134 2.644,1135 2.686,1136 2.672,1137 2.34,1138 4.105,1139 2.361,1140 0.171,1141 0.128,1142 0.253,1143 0.155,1144 0.121,1145 4.798,1146 0.17,1147 3.584,1148 0.051,1149 7.087,1150 0.438,1151 4.352,1152 0.117,1153 3.38,1154 4.769,1155 1.437,1156 12.272,1157 3.286,1158 1.942,1159 1.926,1160 2.013,1161 2.028,1162 1.173,1163 2.023,1164 1.934,1165 1.916,1166 1.982,1167 1.993,1168 1.151,1169 2.001,1170 1.627,1171 1.596,1172 1.675,1173 1.82,1174 0.809,1175 1.78,1176 1.265,1177 1.24,1178 1.385,1179 1.538,1180 0.404,1181 1.493,1182 1.172,1183 1.139,1184 1.26,1185 1.477,1186 0.3,1187 1.401,1188 0.96,1189 0.912,1190 1.156,1191 1.175,1192 0.258,1193 1.135,1194 0.826,1195 0.791,1196 1.015,1197 1.114,1198 0.073,1199 1.097,1200 0.732,1201 0.706,1202 0.885,1203 0.906,1205 0.93,1206 4.043,1208 5.416,1209 3.045,1210 6.987,1211 5.533,1212 8.65,1213 7.743,1214 10.362,1215 3.41,1221 19.494,1231 26.056,1232 64.064,1233 134.505,1234 158.015,1235 177.525,1236 179.525,1237 179.525,1238 50.335,1239 7.691,1240 118.54,1241 118.54,1242 22,1243 12.871,1244 4.524,1245 3.7,1246 35.683,1247 77,1248 80,1249 0.232,1250 163.274,1251 270.66,1252 390.15,1253 20938,1254 2.9,1255 17.715,1256 0.709,1257 0.563,1258 18.715,1259 14.086,1260 12.007,1261 0.429,1262 0.286,1263 7.174,1264 10.983,1265 7.025,1266 5.756,1267 12.585,1268 8.022,1269 11.239,1270 0.268,1271 0.152,1272 11.981,1273 6.371,1274 9.938,1275 0.163,1276 0.078,1277 10.655,1278 4.783,1279 8.812,1280 0.101,1281 0.04,1282 9.4,1283 3.478,1284 7.271,1285 0.064,1286 0.021,1287 7.828,1288 2.358,1289 0.349,1290 84.228,1291 0.234,1292 23.485,1293 0.689,1294 140,1295 476.736,1296 219.448,1297 498.773,1298 660.27,1299 458,1300 173,1301 461.324,1302 221.136,1303 477.797,1304 702.87,1305 449,1306 6.222} {0 CHEMBL2321963,1 1.938,2 9.393,3 4.877,4 23.785,5 92.498,6 10.245,7 0.645,8 3.829,9 3.903,10 3.612,11 3.362,12 5.265,13 3.427,14 4.314,15 4.395,16 4.11,17 3.785,18 6.191,19 3.843,20 4.518,21 4.633,22 4.148,23 3.9,24 5.971,25 3.952,26 4.687,27 4.828,28 4.237,29 3.887,30 6.27,31 3.964,32 4.676,33 4.828,34 4.16,35 3.753,36 6.296,37 3.863,38 4.508,39 4.649,40 3.985,41 3.616,42 6.304,43 3.695,44 4.352,45 4.503,46 3.815,47 3.49,48 5.967,49 3.557,50 4.261,51 4.418,52 3.749,53 3.282,54 6.087,55 3.387,56 0.413,57 0.788,58 3.221,59 3.217,60 66.812,61 2.309,62 1.022,63 1.624,64 5.609,65 5.555,66 178.335,67 4.425,68 0.86,69 1.457,70 8.331,71 6.796,72 131.773,73 5.987,74 1.287,75 1.701,76 13.214,77 7.463,78 182.777,79 6.336,80 1.473,81 1.62,82 16.266,83 7.393,84 230.094,85 5.677,86 1.415,87 1.165,88 14.413,89 6.336,90 240.375,91 5.399,92 1.027,93 1.14,94 11.287,95 5.4,96 150.371,97 4.627,98 1.076,99 1.129,100 11.744,101 5.249,102 184.702,103 4.742,104 59,105 48,106 0.338,107 0.688,108 0.796,109 0.885,110 0.894,111 0.894,112 3.376,113 0.76,114 -3.91,115 -3.87,116 -3.67,119 47.4,127 1,133 6,134 5,135 1,143 3,144 1,147 1,155 1,156 1,158 1,159 9,160 1,162 2,164 1,165 1,166 8,168 9,169 2,172 5,174 1,176 8,178 7,179 1,182 6,185 1,186 2,187 6,188 1,190 4,191 1,194 6,197 3,198 1,199 7,202 5,206 4,207 1,209 2,211 5,213 6,214 1,216 1,217 4,218 1,220 1,222 5,224 7,225 1,228 1,229 2,232 1,234 1,235 2,237 6,238 1,242 1,245 2,246 2,247 1,250 2,251 2,255 1132,256 18.273,257 18.273,258 18.273,259 18.273,260 18.273,261 15.845,262 14.34,263 10.162,264 18.737,265 15.221,266 15.221,267 15.221,268 15.221,269 15.221,270 11.318,271 12.821,272 4.677,273 16.024,274 3.31,275 1.31,276 0.691,277 0.178,278 0.125,279 0.125,280 4.063,284 1,285 562,286 3.873,288 103.792,289 136.627,291 201.95,295 1.449,296 64.064,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 66,307 263,308 4.828,309 4.47,310 7.322,311 4.41,312 3.469,313 4.783,314 3.825,315 12.75,316 3.319,317 4.619,318 3.584,319 7.014,320 4.211,321 3.28,322 4.532,323 1.437,324 11.841,325 3.081,326 4.283,327 3.422,328 6.573,329 3.922,330 2.98,331 3.689,332 0.894,333 10.343,334 2.774,335 4.025,336 3.11,337 5.968,338 3.651,339 2.664,340 3.459,342 8.347,343 2.591,344 3.574,345 2.529,346 5.772,347 3.162,348 2.215,349 2.873,351 7.536,352 2.064,353 3.352,354 2.434,355 5.288,356 2.887,357 1.937,358 2.656,360 6.003,361 1.824,362 3.207,363 2.078,364 4.902,365 2.712,366 1.77,367 2.504,369 5.211,370 1.659,371 3.01,372 1.856,373 4.799,374 2.508,375 1.552,376 2.212,378 4.82,379 1.463,380 2.836,381 1.618,382 4.193,383 2.349,384 1.371,385 1.984,386 3.405,387 1.333,388 2.731,389 1.586,390 3.812,391 2.214,392 1.219,393 1.745,394 2.931,395 1.195,396 2.551,397 1.416,398 3.763,399 1.993,400 1.018,401 1.441,402 2.496,403 0.985,404 2.053,405 0.886,406 3.495,407 1.523,408 0.57,409 0.829,411 1.612,412 0.54,413 1.924,414 0.607,415 2.94,416 1.234,417 0.248,418 0.406,420 0.417,421 0.244,422 1.082,423 0.51,424 2.743,425 0.677,426 -0.253,427 -0.32,429 -0.638,430 -0.232,431 0.831,432 0.51,433 2.483,434 0.355,435 -0.635,436 -0.876,438 -1.588,439 -0.623,440 12.39,441 0.443,442 1.039,443 0.037,444 38.5,445 1.375,446 20,447 0.714,448 18.5,449 0.661,450 20.5,451 0.732,452 30.21,453 0.795,454 34.577,455 1.235,456 8.023,457 0.287,458 5.196,459 0.186,460 0.177,461 0.04,462 0.444,463 3,466 0.692,467 0.795,468 0.595,469 0.738,470 0.681,471 0.651,472 0.389,473 0.746,474 0.518,475 0.907,476 0.371,477 0.877,478 0.663,479 0.953,480 0.74,481 1.131,482 0.601,483 1.074,484 0.9,485 0.956,486 0.979,487 1.074,488 0.904,489 1.089,490 1.256,491 1.092,492 1.168,493 0.998,494 1.217,495 0.982,496 0.909,497 0.818,498 1.036,499 0.897,500 0.901,501 0.982,502 0.987,503 0.815,504 1.124,505 0.975,506 1.06,507 1.081,508 1.097,509 1.075,510 1.031,511 1.093,512 1.158,513 1.055,514 7,515 0.147,516 4.222,517 3.556,518 2.129,519 1.827,520 0.817,521 0.538,522 0.507,523 0.195,524 8319,525 38133,526 2.022,527 26.3,529 6,532 4,536 1.716,537 1.816,538 3.208,539 1.768,545 73.634,546 1.938,547 3.938,548 4.557,549 5.07,550 5.123,551 5.123,552 2.651,553 4.352,554 4.778,555 3.366,556 1272.39,557 8.342,558 15816.2,560 1,563 199.421,564 1.728,565 4.691,566 0.226,567 0.012,568 0.088,569 0.07,570 0.041,571 0.039,572 0.021,573 0.016,574 0.017,575 0.008,576 0.539,577 0.33,578 1,579 1.017,580 136.866,581 -0.084,582 0.059,583 -0.058,584 0.2,585 -0.105,586 0.154,587 0.358,588 0.286,589 0.097,590 0.076,591 0.353,592 -0.046,593 -0.039,594 -0.162,595 0.001,596 -0.185,597 -0.004,598 -0.124,599 -0.07,600 -0.049,601 -0.08,602 -0.141,603 -0.094,604 -0.138,605 -0.263,606 -0.122,607 -0.146,608 -0.052,609 -0.24,610 -0.009,611 0.026,613 -0.004,614 0.055,615 0.038,616 0.036,617 -0.078,618 0.079,619 -0.122,620 -0.022,621 -0.152,622 -0.076,623 0.007,624 -0.034,625 0.111,626 -0.086,627 -0.034,628 0.006,629 5.906,630 5.261,631 0.643,632 23.031,633 1.068,634 1.143,635 2.679,636 7.179,637 0.696,638 3.466,639 3.892,640 4.22,641 4.575,642 4.836,643 5.037,644 5.257,645 5.389,646 5.472,647 5.561,648 5.714,649 0.729,650 389.31,651 3.466,652 5.069,653 5.964,654 6.905,655 7.824,656 8.769,657 9.698,658 10.644,659 11.578,660 12.525,661 7.9,669 2,673 1,674 4,675 6,677 2,680 6,682 20,689 1,693 1,696 1,699 38,700 22,701 2,702 31,704 41,705 18,706 16,707 6,708 6,709 1,710 4,711 6,715 1,718 1,721 17,722 1,724 2,728 2,730 1,731 1,734 3,736 10,737 8,738 4,739 10,743 3,747 0.5,748 4,756 2,759 2,760 2,762 2,775 1,777 2,783 3,785 28,788 2,795 1,800 3,801 10.5,803 2,804 2,808 15.417,809 6.862,810 5.917,811 2.04,812 4.338,813 1.545,814 0.997,815 4.033,816 12.296,817 3.784,818 4.505,819 5.223,820 5.951,821 6.559,822 7.078,823 7.637,824 8.135,825 8.5,826 8.95,827 1,828 51,829 10.967,831 5.612,832 8.699,833 18.133,835 15.378,837 3.199,838 89.583,842 70.627,843 90.031,844 52.855,846 135.885,847 44.88,849 90.031,850 206.512,851 97.735,854 56.857,855 136.795,856 95.911,857 26.329,858 70.627,859 7.76,860 70.627,861 142.886,862 180.765,865 70.627,866 180.765,869 41.331,870 82.272,871 19.284,873 115.507,874 188.74,875 90.031,878 78.386,879 25.414,880 56.857,881 33.571,882 200.049,883 70.627,884 233.62,885 90.031,887 0.607,888 0.362,889 0.202,890 0.113,891 26,892 13,893 0.073,894 3,895 2,896 1.222,897 3.665,898 266.402,899 0.222,900 18,901 129.851,904 18.231,905 6.194,906 2.8,907 0.201,908 200.049,909 7.31,911 5.089,914 -1.849,916 118.938,917 394.278,918 43,922 22.576,924 2.932,925 -1.191,926 40.571,927 43.428,928 0.369,929 0.75,930 0.868,931 0.966,932 0.976,933 0.976,934 5.069,935 1.552,936 6.033,937 5.211,938 4.575,939 5.193,940 3.28,941 6.98,942 4.481,943 6.357,944 1.371,945 7.687,946 4.82,947 4.511,948 5.293,949 3.903,950 8.25,951 4.298,952 7.729,953 1.219,954 9.446,955 3.405,956 6.344,957 7.581,958 5.463,959 11.352,960 6.154,961 9.141,962 1.018,963 11.265,964 2.931,965 7.048,966 8.484,967 6.69,968 13.392,969 6.749,970 10.584,971 0.57,972 13.121,973 2.496,974 8.451,975 10.302,976 8.064,977 16.084,978 8.151,979 12.05,980 0.248,981 15.002,982 1.612,983 9.461,984 11.565,985 9.388,986 18.412,987 9.075,988 13.534,989 -0.253,990 16.902,991 0.417,992 10.726,993 13.207,994 10.735,995 20.98,996 10.316,997 3.469,998 -0.635,999 18.815,1000 -0.638,1001 11.857,1002 14.63,1003 12.074,1004 23.42,1005 11.38,1006 3.28,1007 12.75,1008 20.738,1009 -1.588,1010 13.08,1011 16.207,1012 13.417,1013 25.95,1014 12.566,1015 2.98,1016 11.841,1017 22.67,1018 4.783,1019 14.26,1020 17.699,1021 14.758,1022 28.436,1023 13.689,1024 2.664,1025 10.343,1026 24.609,1027 4.532,1028 15.473,1029 19.253,1030 16.1,1031 30.957,1032 14.86,1033 2.215,1034 8.347,1035 26.554,1036 3.689,1037 16.674,1038 20.776,1039 17.441,1040 33.463,1041 16.01,1042 1.937,1043 7.536,1044 28.503,1045 3.459,1046 17.888,1047 22.324,1048 18.783,1049 35.984,1050 17.181,1051 1.77,1052 6.003,1053 30.457,1054 2.873,1055 19.099,1056 23.861,1057 20.124,1058 38.501,1059 18.345,1060 8161,1061 17576,1062 19.709,1063 26.455,1064 49.925,1065 49.991,1066 51.48,1067 48.892,1068 48.586,1069 66.222,1070 12.313,1071 155.422,1072 46.145,1073 5.526,1074 6.47,1075 6.828,1076 5.451,1077 5.469,1078 7.783,1079 5.335,1080 20.739,1081 5.319,1082 17.891,1083 1.61,1084 1.613,1085 1.661,1086 1.577,1087 1.567,1088 2.136,1089 0.397,1090 5.014,1091 1.489,1092 4.211,1093 4.238,1094 4.19,1095 4.123,1096 8.513,1097 4.135,1098 4.038,1099 4.064,1100 4.01,1101 3.954,1102 7.999,1103 3.963,1104 3.587,1105 3.606,1106 3.568,1107 3.442,1108 7.999,1109 3.462,1110 3.437,1111 3.464,1112 3.432,1113 3.216,1114 7.529,1115 3.251,1116 3.277,1117 3.329,1118 3.222,1119 3.023,1120 7.475,1121 3.063,1122 3.089,1123 3.127,1124 3.037,1125 2.864,1126 6.473,1127 2.881,1128 3.042,1129 3.067,1130 2.977,1131 2.673,1132 6.351,1133 2.748,1134 2.721,1135 2.779,1136 2.646,1137 2.416,1138 4.954,1139 2.471,1140 0.156,1141 0.144,1142 0.236,1143 0.142,1144 0.112,1145 4.828,1146 0.154,1147 4.47,1148 0.123,1149 7.322,1150 0.411,1151 4.41,1152 0.107,1153 3.469,1154 4.783,1155 3.825,1156 12.75,1157 3.319,1158 1.953,1159 1.936,1160 2.019,1161 2.04,1162 1.192,1163 2.031,1164 1.94,1165 1.922,1166 2.013,1167 2.025,1168 1.154,1169 2.021,1170 1.636,1171 1.606,1172 1.687,1173 1.827,1174 0.823,1175 1.787,1176 1.27,1177 1.245,1178 1.392,1179 1.538,1180 0.417,1181 1.493,1182 1.173,1183 1.143,1184 1.26,1185 1.477,1186 0.3,1187 1.401,1188 1.032,1189 0.991,1190 1.161,1191 1.422,1192 0.259,1193 1.307,1194 0.948,1195 0.902,1196 1.107,1197 1.175,1198 0.139,1199 1.133,1200 0.82,1201 0.787,1202 0.993,1203 1.112,1205 1.095,1206 4.143,1208 5.541,1209 3.045,1210 7.127,1211 5.533,1212 8.8,1213 7.743,1214 10.52,1218 39.782,1221 19.388,1228 -4.656,1231 27.707,1232 73.634,1233 149.647,1234 173.157,1235 192.666,1236 194.666,1237 194.666,1238 81.515,1239 7.958,1240 118.54,1241 118.54,1242 22,1243 13.018,1244 4.524,1245 3.7,1246 42.18,1247 95,1248 98,1249 0.224,1250 164.547,1251 286.89,1252 393.256,1253 29035,1254 7.9,1255 20.215,1256 0.722,1257 0.491,1258 17.715,1259 13.756,1260 13.219,1261 0.426,1262 0.253,1263 7.677,1264 12.436,1265 7.632,1266 6.216,1267 12.007,1268 7.857,1269 13.234,1270 0.276,1271 0.127,1272 11.239,1273 6.08,1274 10.692,1275 0.16,1276 0.067,1277 9.938,1278 4.479,1279 9.594,1280 0.1,1281 0.034,1282 8.812,1283 3.285,1284 7.874,1285 0.063,1286 0.018,1287 7.271,1288 2.215,1289 0.339,1290 85.375,1291 0.225,1292 25.887,1293 0.658,1294 158,1295 734.415,1296 188.594,1297 625.117,1298 808.89,1299 572,1300 194,1301 571.591,1302 217.754,1303 555.91,1304 837.69,1305 521,1306 5.155} {0 CHEMBL2321964,1 1.781,2 8.458,3 4.474,4 20.018,5 94.204,6 10.728,7 0.741,8 3.747,9 3.833,10 3.605,11 3.364,12 5.05,13 3.365,14 4.198,15 4.296,16 4.048,17 3.803,18 5.411,19 3.78,20 4.445,21 4.581,22 4.245,23 3.921,24 5.666,25 3.884,26 4.54,27 4.698,28 4.234,29 3.906,30 5.819,31 3.861,32 4.476,33 4.635,34 4.11,35 3.723,36 5.846,37 3.725,38 4.379,39 4.538,40 4.001,41 3.631,42 5.86,43 3.614,44 4.246,45 4.405,46 3.908,47 3.512,48 5.675,49 3.45,50 3.955,51 4.143,52 3.689,53 3.252,54 5.171,55 3.143,56 0.18,57 0.511,58 3.022,59 2.863,60 20.617,61 2.708,62 0.221,63 0.801,64 5.129,65 4.972,66 23.229,67 5.177,68 0.308,69 1.016,70 14.984,71 6.87,72 28.446,73 7.254,74 0.479,75 1.098,76 22.101,77 7.849,78 43.111,79 8.02,80 0.545,81 1.011,82 19.869,83 6.96,84 61.725,85 6.57,86 0.597,87 0.91,88 16.918,89 6.024,90 69.291,91 5.843,92 0.56,93 0.741,94 17.552,95 5.921,96 81.191,97 5.185,98 0.293,99 0.544,100 12.624,101 5.051,102 36.697,103 5.361,104 21,105 40,106 0.315,107 0.704,108 0.82,109 0.906,110 0.906,111 0.906,112 3.23,113 0.89,114 -3.7,115 -3.67,116 -3.49,117 1,119 47.2,124 1,133 6,134 4,135 2,143 3,144 1,155 1,159 8,162 1,165 1,166 7,168 8,172 3,174 1,176 9,178 7,182 5,185 1,186 2,187 6,190 6,194 5,197 2,199 6,202 5,206 3,209 3,210 1,211 6,213 5,217 3,220 1,222 5,224 6,229 2,234 1,237 6,246 2,247 1,250 4,255 746,256 16.464,257 16.464,258 16.464,259 16.464,260 16.464,261 14.089,262 13.968,263 9.33,264 16.827,265 13.186,266 13.186,267 13.186,268 13.186,269 13.186,270 9.427,271 13.086,272 4.223,273 13.835,274 3.389,275 1.195,276 0.542,277 0.056,278 0.056,279 0.056,280 3.925,284 1,285 444,286 2.646,288 84.172,289 111.019,291 164.143,295 1.292,296 28.146,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.25,307 203,308 4.798,309 3.463,310 7.087,311 4.352,312 3.379,313 4.769,314 0.894,315 12.275,316 3.285,317 4.55,318 3.222,319 6.655,320 4.05,321 3.082,322 4.509,323 0.765,324 10.698,325 2.983,326 3.936,327 2.829,328 6.047,329 3.507,330 2.552,331 3.465,333 8.466,334 2.435,335 3.671,336 2.702,337 5.45,338 3.256,339 2.306,340 3.091,342 6.834,343 2.157,344 3.385,345 2.413,346 5.181,347 2.922,348 1.962,349 2.732,351 6.099,352 1.872,353 3.237,354 2.051,355 4.967,356 2.74,357 1.807,358 2.554,360 5.282,361 1.668,362 3.054,363 1.914,364 4.837,365 2.569,366 1.631,367 2.281,369 4.982,370 1.479,371 2.841,372 1.612,373 4.218,374 2.348,375 1.372,376 1.996,378 3.503,379 1.333,380 2.574,381 1.42,382 3.771,383 2.016,384 1.049,385 1.49,386 2.538,387 1.003,388 2.179,389 1.113,390 3.489,391 1.662,392 0.75,393 1.037,394 1.885,395 0.649,396 1.999,397 0.976,398 2.975,399 1.44,400 0.524,401 0.672,402 0.889,403 0.462,404 1.573,405 0.678,406 2.705,407 1.136,408 0.189,409 0.273,411 0.289,412 0.178,413 1.202,414 0.273,415 2.55,416 0.734,417 -0.125,418 -0.16,420 -0.284,421 -0.086,422 0.87,423 -0.149,424 2.419,425 0.402,426 -0.522,427 -0.693,429 -1.125,430 -0.416,431 0.652,432 -0.282,433 2.325,434 0.207,435 -0.699,436 -0.884,438 -1.622,439 -0.607,440 12.033,441 0.501,442 0.623,443 0.026,444 34,445 1.417,446 18.5,447 0.771,448 15.5,449 0.646,450 18.561,451 0.773,452 23.967,453 0.666,454 23.74,455 0.989,456 6.652,457 0.277,458 4.983,459 0.208,460 0.194,462 0.416,466 0.828,467 0.873,468 0.475,469 0.573,470 0.759,471 0.623,472 0.628,473 1.087,474 0.558,475 0.766,476 0.581,477 0.814,478 0.71,479 1.199,480 0.856,481 1.027,482 0.616,483 0.99,484 0.904,485 1.09,486 1.031,487 1.026,488 0.843,489 1.01,490 1.238,491 1.097,492 0.714,493 0.952,494 1.273,495 0.922,496 1.076,497 0.981,498 0.798,499 0.934,500 1.121,501 0.981,502 1.486,503 0.862,504 1.137,505 0.946,506 1.652,507 1.031,508 0.906,509 0.938,510 0.977,511 1.079,512 1.066,513 1.125,514 4.5,515 0.037,516 3.111,517 2.681,518 1.882,519 1.115,520 0.598,521 0.37,522 0.173,523 0.099,524 5621,525 19804,526 2.11,527 33.3,529 8,532 4,536 1.676,537 1.946,538 3.06,539 1.819,541 1,545 64.101,546 1.781,547 3.975,548 4.628,549 5.114,550 5.114,551 5.114,552 2.527,553 4.418,554 4.556,555 3.166,556 873.696,557 7.901,558 9678.5,560 1,562 1,563 186.117,564 1.483,565 4.504,566 0.167,567 0.009,568 0.078,569 0.062,570 0.046,571 0.03,572 0.019,573 0.015,574 0.011,575 0.01,576 0.447,577 0.33,578 1,579 0.921,580 110.547,581 -0.083,582 0.197,583 -0.015,584 0.18,585 -0.083,586 0.129,587 -0.006,588 -0.067,589 0.003,590 0.036,591 -0.041,592 0.006,593 -0.006,594 -0.19,595 -0.01,596 -0.126,597 -0.003,598 -0.083,599 -0.016,600 -0.074,601 -0.055,602 -0.075,603 -0.014,604 -0.067,605 -0.095,606 -0.083,607 0.004,608 -0.072,609 -0.092,610 -0.009,611 0.073,612 0.056,613 -0.027,614 -0.046,615 0.1,616 -0.077,617 -0.215,618 0.088,619 -0.055,620 0.072,621 -0.172,622 -0.058,623 0.017,624 -0.072,625 0.102,626 -0.018,627 -0.041,628 -0.018,629 1.712,630 4.478,631 0.75,632 16.847,633 1.026,634 1.112,635 2.471,636 6.103,637 0.737,638 3.332,639 3.714,640 4.094,641 4.454,642 4.718,643 4.875,644 5.03,645 5.198,646 5.226,647 5.242,648 5.021,649 0.719,650 386.22,651 3.332,652 4.905,653 5.808,654 6.735,655 7.66,656 8.594,657 9.526,658 10.464,659 11.399,660 12.338,661 8.3,669 2,673 1,674 4,675 6,677 2,680 6,682 20,693 1,696 1,698 1,699 36,700 21,701 2,702 27,703 1,704 39,705 17,706 16,707 6,708 6,710 4,711 6,715 1,721 16,722 1,724 1,728 1,730 1,733 1,736 12,737 4,738 4,739 7,740 1,743 3,747 0.5,748 3,749 1,756 2,759 2,760 2,762 2,775 1,777 2,780 1,785 24,788 2,789 1,800 1,801 8.3,802 1,803 1,804 1,808 12.333,809 6.41,810 5.306,811 1.977,812 4.228,813 1.556,814 1.007,815 3.679,816 11.832,817 3.664,818 4.388,819 5.139,820 5.872,821 6.475,822 6.96,823 7.47,824 7.998,825 8.324,826 8.721,827 0.833,828 43,829 8.836,831 3.943,832 7.997,833 16.445,835 13.96,837 2.497,838 59.917,842 94.169,843 81.231,844 98.809,846 110.74,849 127.186,850 204.909,851 52.855,854 99.541,855 68.057,856 50.9,857 26.329,858 94.169,859 45.954,860 94.169,861 134.086,862 110.74,864 45.954,865 94.169,866 68.057,867 42.683,869 33.571,870 81.231,871 19.284,872 45.954,873 94.169,874 163.595,875 127.186,878 94.169,879 24.374,880 56.857,881 79.525,882 130.024,883 94.169,884 163.595,885 127.186,887 0.587,888 0.374,889 0.219,890 0.124,891 22,892 10,893 0.077,894 3,895 2,896 1.222,897 3.451,898 214.98,899 0.222,900 18,901 110.039,904 15.389,905 5.738,906 2.3,907 2.813,908 130.024,909 10.825,911 6.068,914 2.58,916 118.938,917 384.949,918 38,922 11.478,924 3.161,926 36.934,927 40.041,928 0.344,929 0.769,930 0.895,931 0.989,932 0.989,933 0.989,934 4.913,935 1.372,936 5.826,937 4.982,938 4.394,939 5.075,940 1.327,941 6.737,942 4.305,943 6.177,944 1.049,945 7.446,946 3.503,947 4.111,948 5.094,950 7.82,951 3.965,952 7.532,953 0.75,954 9.166,955 2.538,956 6.08,957 7.478,958 1.087,959 10.99,960 5.933,961 8.931,962 0.524,963 10.944,964 1.885,965 6.635,966 8.352,968 12.916,969 6.441,970 10.364,971 0.189,972 12.76,973 0.889,974 8.092,975 10.208,976 0.885,977 15.618,978 7.892,979 11.823,980 -0.125,981 14.603,982 0.289,983 9.016,984 11.465,986 17.881,987 8.778,988 13.303,989 -0.522,990 16.465,991 -0.284,992 10.292,993 13.124,994 0.719,995 20.435,996 10.04,997 3.379,998 -0.699,999 18.342,1000 -1.125,1001 11.375,1002 14.548,1004 22.832,1005 11.09,1006 3.082,1007 12.275,1008 20.231,1009 -1.622,1010 12.591,1011 16.133,1012 0.583,1013 25.338,1014 12.286,1015 2.552,1016 10.698,1017 22.13,1018 4.769,1019 13.74,1020 17.627,1022 27.789,1023 13.405,1024 2.306,1025 8.466,1026 24.037,1027 4.509,1028 14.939,1029 19.185,1030 0.473,1031 30.282,1032 14.58,1033 1.962,1034 6.834,1035 25.95,1036 3.465,1037 16.116,1038 20.709,1040 32.757,1041 15.728,1042 1.807,1043 6.099,1044 27.869,1045 3.091,1046 17.313,1047 22.258,1048 0.383,1049 35.249,1050 16.899,1051 1.631,1052 5.282,1053 29.792,1054 2.732,1055 18.503,1056 23.795,1058 37.735,1059 18.061,1060 5428,1061 10278,1062 17.918,1063 26.54,1064 41.815,1065 43.286,1066 44.167,1067 41.421,1068 41.207,1069 57.737,1070 3.318,1071 127.48,1072 39.006,1073 5.493,1074 5.463,1075 6.635,1076 5.391,1077 5.379,1078 7.769,1079 1.789,1080 20.014,1081 5.285,1082 12.098,1083 1.549,1084 1.603,1085 1.636,1086 1.534,1087 1.526,1088 2.138,1089 0.123,1090 4.721,1091 1.445,1092 4.205,1093 4.231,1094 6.881,1095 4.124,1096 7.529,1097 4.132,1098 4.025,1099 4.052,1100 4.162,1101 3.957,1102 6.474,1103 3.957,1104 3.548,1105 3.584,1106 3.951,1107 3.437,1108 6.457,1109 3.437,1110 3.376,1111 3.423,1112 3.457,1113 3.205,1114 4.966,1115 3.217,1116 3.137,1117 3.18,1118 3.268,1119 2.941,1120 4.817,1121 2.932,1122 2.972,1123 3.017,1124 3.062,1125 2.907,1126 4.249,1127 2.868,1128 2.854,1129 2.91,1130 2.804,1131 2.574,1132 4.109,1133 2.585,1134 2.746,1135 2.792,1136 2.642,1137 2.341,1138 3.801,1139 2.435,1140 0.178,1141 0.128,1142 0.262,1143 0.161,1144 0.125,1145 4.798,1146 0.177,1147 3.463,1148 0.033,1149 7.087,1150 0.455,1151 4.352,1152 0.122,1153 3.379,1154 4.769,1155 0.894,1156 12.275,1157 3.285,1158 1.947,1159 1.928,1160 2.033,1161 2.031,1162 1.198,1163 2.032,1164 1.934,1165 1.916,1166 1.982,1167 1.994,1168 1.166,1169 2.001,1170 1.626,1171 1.595,1172 1.676,1173 1.821,1174 0.808,1175 1.782,1176 1.258,1177 1.209,1178 1.474,1179 1.543,1180 0.629,1181 1.515,1182 1.245,1183 1.2,1184 1.375,1185 1.505,1186 0.401,1187 1.468,1188 0.972,1189 0.927,1190 1.157,1191 1.168,1192 0.264,1193 1.15,1194 0.795,1195 0.734,1196 1.057,1197 1.065,1198 0.121,1199 1.064,1200 0.724,1201 0.684,1202 0.906,1203 0.949,1204 0.007,1205 0.932,1206 4.007,1208 5.371,1209 3.045,1210 6.94,1211 5.533,1212 8.604,1213 7.743,1214 10.318,1215 3.441,1221 19.676,1222 -0.125,1231 25.868,1232 64.101,1233 143.098,1234 166.608,1235 184.117,1236 184.117,1237 184.117,1238 42.305,1239 7.604,1240 101.47,1241 101.47,1242 22,1243 12.835,1244 4.459,1245 3.585,1246 33.604,1247 71,1248 82,1249 0.239,1250 162.206,1251 264.51,1252 387.542,1253 18857,1254 2.8,1255 16.845,1256 0.702,1257 0.579,1258 17.845,1259 13.885,1260 11.635,1261 0.431,1262 0.297,1263 7.173,1264 10.669,1265 7.007,1266 5.749,1267 12.212,1268 8.014,1269 10.509,1270 0.263,1271 0.159,1272 11.251,1273 6.343,1274 9.648,1275 0.164,1276 0.081,1277 10.365,1278 4.783,1279 8.595,1280 0.101,1281 0.041,1282 9.183,1283 3.485,1284 7.174,1285 0.065,1286 0.022,1287 7.731,1288 2.397,1289 0.356,1290 81.545,1291 0.236,1292 22.613,1293 0.714,1294 134,1295 417,1296 210.459,1297 443.413,1298 593.39,1299 410,1300 166,1301 414.173,1302 212.142,1303 432.72,1304 637.97,1305 407,1306 5.796} {0 CHEMBL2321965,1 1.828,2 9.12,3 4.925,4 24.257,5 97.387,6 11.089,7 0.714,8 3.757,9 3.842,10 3.64,11 3.367,12 5.141,13 3.376,14 4.168,15 4.263,16 4.064,17 3.8,18 5.406,19 3.784,20 4.429,21 4.555,22 4.258,23 3.919,24 5.67,25 3.891,26 4.521,27 4.677,28 4.263,29 3.908,30 5.826,31 3.875,32 4.477,33 4.624,34 4.148,35 3.734,36 5.898,37 3.752,38 4.392,39 4.551,40 4.037,41 3.651,42 5.87,43 3.644,44 4.252,45 4.405,46 3.98,47 3.532,48 5.686,49 3.49,50 3.995,51 4.176,52 3.757,53 3.274,54 5.413,55 3.19,56 0.229,57 0.534,58 2.432,59 2.706,60 22.552,61 2.405,62 0.217,63 0.819,64 2.971,65 4.467,66 17.625,67 4.457,68 0.363,69 1.024,70 12.624,71 6.453,72 36.032,73 6.35,74 0.494,75 1.113,76 19.989,77 7.357,78 39.981,79 7.272,80 0.616,81 1.025,82 17.414,83 6.62,84 67.976,85 5.635,86 0.612,87 0.939,88 16.553,89 6.17,90 71.439,91 5.801,92 0.568,93 0.765,94 15.846,95 5.745,96 67.336,97 5.087,98 0.424,99 0.583,100 11.583,101 4.894,102 55.884,103 4.913,104 22,105 41,106 0.322,107 0.68,108 0.826,109 0.911,110 0.911,111 0.911,112 3.269,113 0.867,114 -3.68,115 -3.65,116 -3.47,117 1,119 47.2,133 6,134 4,135 2,143 3,144 1,145 1,155 1,157 1,159 8,162 2,165 1,166 6,168 8,172 5,174 1,176 8,178 7,182 7,185 1,186 2,187 6,190 6,194 5,197 2,199 8,202 5,205 1,206 3,209 3,211 6,213 5,216 1,217 4,220 1,221 1,222 4,224 6,229 3,232 1,234 1,237 6,242 1,245 2,247 1,250 4,255 854,256 17.171,257 17.171,258 17.171,259 17.171,260 17.171,261 14.451,262 11.918,263 9.936,264 17.577,265 13.724,266 13.724,267 13.724,268 13.724,269 13.724,270 9.69,271 8.871,272 4.519,273 14.386,274 3.342,275 1.31,276 0.486,280 3.964,284 1,285 497,286 2.828,288 90.496,289 118.131,291 175.287,295 1.494,296 27.045,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.75,307 228,308 4.798,309 3.624,310 7.087,311 4.352,312 3.379,313 4.769,314 1.697,315 12.275,316 3.285,317 4.551,318 3.461,319 6.655,320 4.051,321 3.082,322 4.511,323 0.894,324 10.698,325 2.984,326 3.952,327 3.215,328 6.048,329 3.516,330 2.558,331 3.485,333 8.47,334 2.45,335 3.719,336 2.801,337 5.456,338 3.273,339 2.322,340 3.157,342 6.924,343 2.173,344 3.41,345 2.581,346 5.203,347 2.93,348 1.971,349 2.762,351 6.143,352 1.878,353 3.237,354 2.266,355 4.967,356 2.74,357 1.807,358 2.554,360 5.282,361 1.668,362 3.071,363 2.047,364 4.838,365 2.573,366 1.636,367 2.302,369 4.993,370 1.483,371 2.848,372 1.881,373 4.219,374 2.349,375 1.374,376 2.002,378 3.506,379 1.334,380 2.698,381 1.611,382 3.771,383 2.065,384 1.105,385 1.618,386 2.538,387 1.059,388 2.569,389 1.418,390 3.49,391 2.007,392 1.045,393 1.476,394 2.051,395 0.99,396 2.165,397 0.998,398 3.213,399 1.608,400 0.694,401 0.994,402 1.684,403 0.592,404 1.943,405 0.868,406 2.842,407 1.277,408 0.3,409 0.465,411 0.514,412 0.29,413 1.227,414 0.638,415 2.55,416 0.786,417 -0.113,418 -0.145,420 -0.239,421 -0.08,422 1.031,423 0.26,424 2.425,425 0.658,426 -0.288,427 -0.358,429 -0.538,430 -0.269,431 0.736,432 -0.166,433 2.349,434 0.325,435 -0.586,436 -0.74,438 -1.327,439 -0.454,440 12.433,441 0.497,442 0.623,443 0.025,444 36.25,445 1.45,446 20,447 0.8,448 16.25,449 0.65,450 18.64,451 0.746,452 24.767,453 0.688,454 25.908,455 1.036,456 7.252,457 0.29,458 4.882,459 0.195,460 0.188,462 0.402,466 0.754,467 0.836,468 0.473,469 0.53,470 0.703,471 0.592,472 0.519,473 1.077,474 0.568,475 0.776,476 0.428,477 0.817,478 0.755,479 1.189,480 0.889,481 1.04,482 0.677,483 1.023,484 0.833,485 1.085,486 1.054,487 1.041,488 0.743,489 1.016,490 1.343,491 1.1,492 0.74,493 0.969,494 1.379,495 0.955,496 1.106,497 0.95,498 0.79,499 0.942,500 1.158,501 0.978,502 1.312,503 0.877,504 1.126,505 0.986,506 1.566,507 1.046,508 0.894,509 0.914,510 0.977,511 1.03,512 0.932,513 1.113,514 4.5,515 0.057,516 3.111,517 2.681,518 1.882,519 1.143,520 0.638,521 0.442,522 0.173,523 0.119,524 6362,525 24000,526 2.105,527 30.6,529 6,531 1,532 4,536 1.686,537 1.948,538 3.146,539 1.815,545 65.822,546 1.828,547 3.86,548 4.684,549 5.17,550 5.17,551 5.17,552 2.695,553 4.564,554 4.612,555 3.271,556 981.271,557 8.011,558 11231.2,560 1,563 186.117,564 1.473,565 4.565,566 0.161,567 0.007,568 0.076,569 0.061,570 0.044,571 0.029,572 0.019,573 0.016,574 0.01,575 0.01,576 0.432,577 0.33,578 1,579 1.086,580 117.458,581 -0.001,582 0.236,583 -0.015,584 0.213,585 -0.026,586 0.137,587 0.018,588 -0.042,589 -0.002,590 0.01,591 0.008,592 -0.021,593 -0.045,594 -0.194,595 -0.029,596 -0.135,597 -0.053,598 -0.122,599 -0.008,600 -0.074,601 -0.059,602 -0.084,603 0.02,604 -0.06,605 -0.177,606 -0.103,607 -0.02,608 -0.085,609 -0.154,610 -0.05,611 0.003,612 0.041,613 -0.016,614 -0.03,615 0.046,616 -0.029,617 -0.112,618 0.065,619 -0.042,620 0.04,621 -0.188,622 -0.053,623 0.113,624 -0.03,625 0.093,626 0.029,627 0.163,629 1.726,630 4.527,631 0.72,632 19.219,633 1.032,634 1.115,635 2.449,636 6,637 0.744,638 3.367,639 3.738,640 4.111,641 4.477,642 4.736,643 4.898,644 5.069,645 5.242,646 5.273,647 5.318,648 5.321,649 0.732,650 399.22,651 3.367,652 4.934,653 5.832,654 6.756,655 7.677,656 8.611,657 9.541,658 10.477,659 11.412,660 12.35,661 11.1,669 2,670 1,673 1,674 4,675 6,677 2,680 6,682 20,685 1,693 1,696 1,698 1,699 36,700 22,701 2,702 28,703 1,704 39,705 17,706 16,707 6,708 6,709 1,710 4,711 6,721 17,724 2,728 1,729 1,730 2,736 11,737 5,738 4,739 8,740 1,743 4,747 0.5,748 3,756 2,759 2,760 2,762 2,775 1,777 2,780 1,785 25,788 2,800 1,801 8.3,803 1,804 1,806 1,808 12.833,809 6.443,810 5.556,811 1.942,812 4.351,813 1.566,814 1.003,815 3.919,816 12.042,817 3.714,818 4.425,819 5.168,820 5.901,821 6.504,822 7.005,823 7.533,824 8.062,825 8.407,826 8.829,827 1,828 44,829 9.148,831 4.046,832 8.037,833 16.913,835 14.186,837 2.537,838 63.417,842 82.398,843 90.279,844 112.056,846 110.862,849 136.233,850 193.26,851 66.102,854 56.857,855 88.875,856 106.953,857 26.329,858 70.627,859 45.954,860 82.398,861 156.381,862 110.862,864 45.954,865 82.398,866 110.862,869 46.819,870 81.231,871 28.331,872 45.954,873 82.398,874 176.965,875 136.233,878 82.398,879 24.374,880 65.905,881 79.525,882 143.394,883 82.398,884 176.965,885 136.233,887 0.581,888 0.365,889 0.219,890 0.123,891 22,892 10,893 0.077,894 3,895 2,896 1.222,897 3.553,898 225.143,899 0.222,900 18,901 114.096,904 16.025,905 6.114,906 2.482,907 2.73,908 143.394,909 10.723,911 6.055,914 2.431,916 119.06,917 395.595,918 40,922 11.527,923 1.265,924 6.157,926 37.153,927 40.124,928 0.354,929 0.747,930 0.906,931 1,932 1,933 1,934 4.956,935 1.374,936 5.844,937 4.993,938 4.419,939 5.112,940 2.123,941 6.749,942 4.332,943 6.218,944 1.105,945 7.458,946 3.506,947 4.111,948 5.094,950 7.82,951 3.965,952 7.566,953 1.045,954 9.174,955 2.538,956 6.094,957 7.501,958 2.938,959 10.996,960 5.949,961 8.96,962 0.694,963 10.95,964 2.051,965 6.635,966 8.357,968 12.918,969 6.443,970 10.388,971 0.3,972 12.764,973 1.684,974 8.1,975 10.222,976 3.908,977 15.621,978 7.902,979 11.843,980 -0.113,981 14.606,982 0.514,983 9.018,984 11.471,986 17.883,987 8.782,988 13.319,989 -0.288,990 16.467,991 -0.239,992 10.297,993 13.133,994 4.937,995 20.436,996 10.047,997 3.379,998 -0.586,999 18.344,1000 -0.538,1001 11.377,1002 14.554,1004 22.832,1005 11.094,1006 3.082,1007 12.275,1008 20.233,1009 -1.327,1010 12.594,1011 16.139,1012 5.986,1013 25.338,1014 12.291,1015 2.558,1016 10.698,1017 22.131,1018 4.769,1019 13.742,1020 17.632,1022 27.789,1023 13.408,1024 2.322,1025 8.47,1026 24.038,1027 4.511,1028 14.941,1029 19.19,1030 7.041,1031 30.283,1032 14.583,1033 1.971,1034 6.924,1035 25.951,1036 3.485,1037 16.118,1038 20.713,1040 32.757,1041 15.731,1042 1.807,1043 6.143,1044 27.869,1045 3.157,1046 17.314,1047 22.262,1048 8.098,1049 35.249,1050 16.902,1051 1.636,1052 5.282,1053 29.792,1054 2.762,1055 18.504,1056 23.798,1058 37.735,1059 18.064,1060 6160,1061 12058,1062 18.611,1063 26.784,1064 43.639,1065 46.608,1066 45.465,1067 42.767,1068 42.544,1069 60.191,1070 5.183,1071 130.157,1072 40.375,1073 5.493,1074 5.624,1075 6.856,1076 5.392,1077 5.379,1078 7.769,1079 3.394,1080 20.014,1081 5.285,1082 12.548,1083 1.559,1084 1.665,1085 1.624,1086 1.527,1087 1.519,1088 2.15,1089 0.185,1090 4.648,1091 1.442,1092 4.204,1093 4.231,1094 6.881,1095 4.124,1096 7.529,1097 4.132,1098 4.025,1099 4.053,1100 4.163,1101 3.957,1102 6.546,1103 3.958,1104 3.557,1105 3.597,1106 3.953,1107 3.441,1108 6.473,1109 3.444,1110 3.383,1111 3.429,1112 3.49,1113 3.211,1114 4.974,1115 3.226,1116 3.167,1117 3.213,1118 3.277,1119 2.95,1120 4.825,1121 2.957,1122 2.991,1123 3.045,1124 3.11,1125 2.913,1126 4.363,1127 2.868,1128 2.894,1129 2.938,1130 2.894,1131 2.623,1132 4.147,1133 2.655,1134 2.752,1135 2.798,1136 2.657,1137 2.344,1138 3.909,1139 2.435,1140 0.171,1141 0.129,1142 0.253,1143 0.155,1144 0.121,1145 4.798,1146 0.17,1147 3.624,1148 0.061,1149 7.087,1150 0.438,1151 4.352,1152 0.117,1153 3.379,1154 4.769,1155 1.697,1156 12.275,1157 3.285,1158 1.945,1159 1.927,1160 2.022,1161 2.027,1162 1.176,1163 2.027,1164 1.934,1165 1.915,1166 1.982,1167 1.993,1168 1.157,1169 2.001,1170 1.626,1171 1.595,1172 1.675,1173 1.821,1174 0.808,1175 1.781,1176 1.257,1177 1.207,1178 1.401,1179 1.545,1180 0.405,1181 1.505,1182 1.245,1183 1.199,1184 1.353,1185 1.514,1186 0.394,1187 1.457,1188 0.972,1189 0.928,1190 1.156,1191 1.186,1192 0.263,1193 1.153,1194 0.804,1195 0.74,1196 1.047,1197 1.086,1198 0.092,1199 1.077,1200 0.727,1201 0.691,1202 0.902,1203 0.954,1205 0.944,1206 4.043,1208 5.398,1209 3.045,1210 6.959,1211 5.533,1212 8.618,1213 7.743,1214 10.33,1215 3.438,1221 19.091,1231 26.362,1232 65.822,1233 138.956,1234 168.608,1235 186.117,1236 186.117,1237 186.117,1238 43.81,1239 7.691,1240 113.83,1241 113.83,1242 22,1243 12.848,1244 4.524,1245 3.7,1246 35.702,1247 78,1248 99,1249 0.23,1250 166.072,1251 272.87,1252 396.977,1253 21118,1254 2.8,1255 17.552,1256 0.702,1257 0.568,1258 18.552,1259 14.203,1260 12.135,1261 0.433,1262 0.289,1263 7.243,1264 11.08,1265 7.087,1266 5.834,1267 12.712,1268 8.091,1269 10.89,1270 0.266,1271 0.155,1272 11.631,1273 6.355,1274 9.767,1275 0.163,1276 0.079,1277 10.484,1278 4.767,1279 8.895,1280 0.102,1281 0.04,1282 9.482,1283 3.504,1284 7.345,1285 0.065,1286 0.021,1287 7.902,1288 2.39,1289 0.346,1290 85.148,1291 0.232,1292 23.566,1293 0.677,1294 138,1295 450.645,1296 215.514,1297 478.618,1298 638.01,1299 440,1300 170,1301 453.529,1302 217.086,1303 470.188,1304 683.35,1305 441,1306 5.678} {0 CHEMBL2321966,1 1.664,2 7.227,3 4.232,4 17.91,5 87.3,6 10.764,7 0.64,8 3.645,9 3.725,10 3.529,11 3.323,12 4.863,13 3.308,14 4.128,15 4.241,16 4,17 3.746,18 5.321,19 3.722,20 4.331,21 4.454,22 4.202,23 3.85,24 5.623,25 3.819,26 4.397,27 4.529,28 4.225,29 3.849,30 5.707,31 3.79,32 4.328,33 4.463,34 4.008,35 3.667,36 5.779,37 3.621,38 4.195,39 4.366,40 3.782,41 3.539,42 5.453,43 3.472,44 4.064,45 4.229,46 3.79,47 3.412,48 5.34,49 3.324,50 3.771,51 3.978,52 3.214,53 3.143,54 4.751,55 2.952,56 0.061,57 0.416,58 2.208,59 2.548,60 8.096,61 2.687,62 0.151,63 0.709,64 5.815,65 4.346,66 10.504,67 4.749,68 0.212,69 0.837,70 13.98,71 5.989,72 23.711,73 6.329,74 0.317,75 0.901,76 14.466,77 6.69,78 38.404,79 6.432,80 0.447,81 0.81,82 29.335,83 6.994,84 57.191,85 6.319,86 0.289,87 0.73,88 16.335,89 5.765,90 39.954,91 5.814,92 0.295,93 0.623,94 11.876,95 5.22,96 40.965,97 5.022,98 0.145,99 0.471,100 7.443,101 4.138,102 18.554,103 4.819,104 17,105 38,106 0.301,107 0.661,108 0.753,109 0.861,110 0.887,111 0.887,112 3.149,113 0.909,114 -4.45,115 -4.38,116 -4.13,117 1,119 51.5,123 1,133 7,134 3,135 2,143 1,144 1,146 2,159 8,162 6,164 1,166 1,168 8,171 1,172 8,176 1,178 7,181 1,182 6,185 1,187 1,190 6,193 1,194 4,197 1,199 4,202 5,206 5,211 2,213 5,217 4,222 2,224 6,237 6,250 4,255 568,256 14.828,257 14.828,258 14.828,259 14.828,260 14.828,261 12.576,262 13.242,263 8.372,264 15.116,265 12.281,266 12.281,267 12.281,268 12.281,269 12.281,270 8.84,271 17.475,272 3.91,273 12.826,274 3.38,275 1.396,276 0.884,277 0.288,278 0.144,279 0.144,280 3.841,284 1,285 351,286 2.236,288 72.502,289 98.298,291 143.862,295 0.996,296 24.625,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 46.75,307 159,308 4.846,309 3.764,310 7.208,311 4.406,312 3.438,313 4.809,314 0.6,315 12.662,316 3.339,317 4.492,318 3.431,319 6.703,320 4.084,321 3.104,322 4.138,324 10.775,325 3.03,326 3.88,327 2.835,328 6.124,329 3.431,330 2.492,331 3.382,333 8.639,334 2.325,335 3.569,336 2.625,337 5.601,338 3.113,339 2.176,340 2.955,342 6.787,343 2.02,344 3.365,345 2.335,346 5.289,347 2.909,348 1.919,349 2.686,351 5.941,352 1.875,353 3.122,354 2.038,355 4.834,356 2.621,357 1.669,358 2.287,360 4.982,361 1.556,362 2.897,363 1.693,364 4.528,365 2.421,366 1.463,367 2.065,369 3.958,370 1.373,371 2.792,372 1.401,373 3.777,374 2.311,375 1.329,376 1.909,378 2.977,379 1.299,380 2.514,381 1.309,382 3.605,383 2.026,384 1.069,385 1.485,386 2.587,387 0.973,388 2.321,389 1.194,390 3.413,391 1.705,392 0.712,393 1.077,394 1.731,395 0.693,396 1.311,397 0.452,398 2.998,399 0.964,400 0.04,401 0.047,402 0.1,403 0.036,404 1.032,405 0.292,406 2.603,407 0.567,408 -0.276,409 -0.332,411 -0.638,412 -0.153,413 0.968,414 0.097,415 2.405,416 0.505,417 -0.458,418 -0.646,420 -1.107,421 -0.457,422 0.713,423 -0.601,424 2.313,425 0.234,426 -0.756,427 -1.095,429 -1.929,430 -0.729,431 0.6,432 -0.772,433 2.125,434 0.127,435 -0.856,436 -1.168,438 -2.149,439 -0.841,440 11.3,441 0.514,442 0.666,443 0.03,444 32.25,445 1.466,446 18,447 0.818,448 14.25,449 0.648,450 16.459,451 0.748,452 21.1,453 0.639,454 21.461,455 0.976,456 6.152,457 0.28,458 4.44,459 0.202,460 0.221,462 0.434,466 0.759,467 1.058,468 0.457,469 0.676,470 0.718,471 0.694,472 0.653,473 0.959,474 0.532,475 0.648,476 0.583,477 0.666,478 0.851,479 1.12,480 0.864,481 0.963,482 0.825,483 0.87,484 1.267,485 1.042,486 1.052,487 0.982,488 1.229,489 0.997,490 1.331,491 1.11,492 1.464,493 1.333,494 1.386,495 1.163,496 1.331,497 0.955,498 0.84,499 0.941,500 1.422,501 0.99,502 1.401,503 0.922,504 0.871,505 0.947,506 1.559,507 1.047,508 0.781,509 0.988,510 0.824,511 1.039,512 0.755,513 1.347,514 3.5,516 3.111,517 3.313,518 1.611,519 0.928,520 0.514,521 0.292,522 0.097,523 0.031,524 4417,525 13910,526 2.12,527 33.3,529 10,532 1,536 1.653,537 1.941,538 2.886,539 -0.31,541 1,545 54.924,546 1.664,547 3.649,548 4.161,549 4.756,550 4.9,551 4.9,552 2.22,553 4.278,554 4.435,555 2.98,556 688.493,557 7.656,558 7142.99,560 1,562 1,563 166.465,564 1.495,565 4.373,566 0.14,568 0.082,569 0.081,570 0.044,571 0.03,572 0.021,573 0.015,574 0.01,575 0.008,576 0.429,577 0.5,578 1,579 0.65,580 97.316,581 -0.087,582 -0.081,583 -0.004,584 0.027,585 -0.12,586 0.036,587 0.03,588 0.074,589 0.027,590 0.108,591 -0.012,592 0.124,593 0.056,594 -0.128,595 -0.001,596 -0.083,597 0.053,598 -0.01,599 -0.111,600 -0.04,601 -0.043,602 -0.037,603 -0.079,604 -0.115,605 0.057,606 -0.127,607 -0.183,608 -0.287,609 0.085,610 -0.237,611 -0.184,612 0.03,613 -0.024,614 0.002,615 -0.157,616 -0.018,617 -0.168,618 0.025,619 0.04,620 0.037,621 -0.167,622 -0.058,623 -0.105,624 -0.089,625 0.007,626 -0.048,627 -0.128,628 -0.246,629 1.821,630 5.624,631 0.818,632 13.455,633 1.015,634 1.101,635 3.218,636 10.356,637 0.76,638 3.258,639 3.664,640 4.06,641 4.419,642 4.654,643 4.771,644 4.934,645 5.069,646 5.05,647 5.03,648 4.538,649 0.731,650 355.2,651 3.258,652 4.844,653 5.759,654 6.693,655 7.626,656 8.567,657 9.506,658 10.45,659 11.391,660 12.336,661 6.1,669 1,670 1,674 2,675 7,680 5,681 1,682 16,684 1,686 1,696 1,698 1,699 33,700 18,701 2,702 25,703 1,704 36,705 17,706 14,707 5,708 7,709 2,710 4,711 6,721 16,722 1,724 2,728 1,730 1,731 2,733 1,736 11,737 3,738 1,739 5,740 1,743 2,747 0.5,748 2,756 1,759 2,760 2,762 2,777 2,780 1,781 1,785 22,788 1,800 1,801 6.1,803 1,804 1,808 11.333,809 6.493,810 4.694,811 1.916,812 3.754,813 1.507,814 1.033,815 2.913,816 11.154,817 3.584,818 4.301,819 5.036,820 5.725,821 6.29,822 6.672,823 7.145,824 7.603,825 7.867,826 8.194,827 0.8,828 41,829 8.147,831 3.66,832 7.852,833 15.302,835 13.057,837 2.352,838 51.75,842 117.711,843 99.52,844 64.639,846 67.828,849 145.475,850 185.539,851 18.685,852 8.396,854 66.334,855 75.718,856 33.441,857 2.144,858 117.711,859 45.954,860 117.711,861 118.205,862 67.828,864 45.954,865 117.711,866 67.828,869 18.685,870 99.52,872 45.954,873 117.711,874 86.513,875 145.475,878 117.711,879 24.79,880 76.629,881 45.954,882 84.614,883 117.711,884 86.513,885 145.475,887 0.601,888 0.384,889 0.223,890 0.12,891 22,892 10,893 0.028,894 1,895 2,896 1.222,897 3.27,898 194,899 0.222,900 18,901 98.107,904 13.588,905 4.717,906 1.805,907 1.635,908 84.614,909 12.881,914 2.609,915 1.66,916 42.683,917 349.698,918 35,922 12.624,924 4.435,925 0.14,926 33.505,927 36.333,928 0.33,929 0.723,930 0.825,931 0.943,932 0.971,933 0.971,934 4.852,935 1.329,936 5.79,937 3.958,938 4.344,939 4.987,940 0.542,941 6.725,942 4.264,943 6.122,944 1.069,945 7.43,946 2.977,947 4.111,948 4.987,950 7.851,951 3.968,952 7.483,953 0.712,954 9.172,955 2.587,956 6.052,957 7.347,958 0.23,959 11.051,960 5.917,961 8.887,962 0.04,963 10.973,964 1.731,965 6.661,966 8.203,968 13.018,969 6.477,970 10.326,971 -0.276,972 12.811,973 0.1,974 8.11,975 10.051,976 0.089,977 15.751,978 7.924,979 11.791,980 -0.458,981 14.674,982 -0.638,983 9.08,984 11.297,986 18.049,987 8.856,988 13.278,989 -0.756,990 16.556,991 -1.107,992 10.363,993 12.954,994 0.033,995 20.633,996 10.126,997 3.438,998 -0.856,999 18.453,1000 -1.929,1001 11.48,1002 14.375,1004 23.064,1005 11.21,1006 3.104,1007 12.662,1008 20.36,1009 -2.149,1010 12.71,1011 15.962,1012 0.012,1013 25.601,1014 12.42,1015 2.492,1016 10.775,1017 22.277,1018 4.809,1019 13.885,1020 17.459,1022 28.086,1023 13.565,1024 2.176,1025 8.639,1026 24.201,1027 4.138,1028 15.101,1029 19.023,1030 0.004,1031 30.612,1032 14.757,1033 1.919,1034 6.787,1035 26.131,1036 3.382,1037 16.3,1038 20.555,1040 33.121,1041 15.927,1042 1.669,1043 5.941,1044 28.067,1045 2.955,1046 17.515,1047 22.113,1048 0.002,1049 35.646,1050 17.115,1051 1.463,1052 4.982,1053 30.006,1054 2.686,1055 18.726,1056 23.66,1058 38.166,1059 18.296,1060 4227,1061 7599,1062 16.531,1063 25.08,1064 39.594,1065 40.556,1066 41.367,1067 39.038,1068 38.823,1069 53.682,1070 1.2,1071 122.275,1072 37.039,1073 5.69,1074 5.764,1075 6.889,1076 5.444,1077 5.438,1078 7.809,1079 1.2,1080 20.532,1081 5.339,1082 10.867,1083 1.584,1084 1.622,1085 1.655,1086 1.562,1087 1.553,1088 2.147,1089 0.048,1090 4.891,1091 1.482,1092 4.166,1093 4.189,1094 6.881,1095 4.09,1096 7.428,1097 4.096,1098 3.954,1099 3.977,1100 4.11,1101 3.884,1102 6.47,1103 3.886,1104 3.491,1105 3.532,1106 3.899,1107 3.394,1108 4.899,1109 3.389,1110 3.362,1111 3.409,1112 3.371,1113 3.178,1114 4.769,1115 3.196,1116 3.028,1117 3.071,1118 3.277,1119 2.952,1120 4.307,1121 2.91,1122 2.886,1123 2.944,1124 2.857,1125 2.764,1126 4.147,1127 2.753,1128 2.818,1129 2.872,1130 2.753,1131 2.706,1132 3.801,1133 2.653,1134 2.606,1135 2.631,1136 2.487,1137 2.347,1138 3.624,1139 2.361,1140 0.194,1141 0.151,1142 0.288,1143 0.176,1144 0.138,1145 4.846,1146 0.192,1147 3.764,1148 0.024,1149 7.208,1150 0.506,1151 4.406,1152 0.134,1153 3.438,1154 4.809,1155 0.6,1156 12.662,1157 3.339,1158 1.936,1159 1.92,1160 1.985,1161 2.003,1162 1.176,1163 2.008,1164 1.868,1165 1.846,1166 1.973,1167 1.945,1168 1.062,1169 1.955,1170 1.623,1171 1.592,1172 1.74,1173 1.822,1174 0.856,1175 1.796,1176 1.31,1177 1.259,1178 1.474,1179 1.518,1180 0.557,1181 1.505,1182 1.008,1183 0.982,1184 1.176,1185 1.207,1186 0.245,1187 1.193,1188 0.882,1189 0.835,1190 1.063,1191 1.069,1192 0.166,1193 1.064,1194 0.796,1195 0.749,1196 1.012,1197 0.985,1198 0.143,1199 1.011,1200 0.708,1201 0.643,1202 0.946,1203 0.902,1204 0.029,1205 0.937,1206 3.932,1208 5.313,1209 3.045,1210 6.901,1211 5.587,1212 8.58,1213 7.825,1214 10.307,1215 3.49,1216 1.763,1221 10.512,1231 24.132,1232 54.924,1233 120.407,1234 137.304,1235 156.955,1236 161.71,1237 161.71,1238 36.103,1239 7.401,1240 55.12,1241 55.12,1242 22,1243 12.829,1244 4.248,1245 3.459,1246 29.645,1247 59,1248 53,1249 0.255,1250 151.415,1251 255.62,1252 361.213,1253 14612,1254 3,1255 15.43,1256 0.701,1257 0.603,1258 16.43,1259 13.255,1260 10.592,1261 0.424,1262 0.303,1263 6.754,1264 9.77,1265 6.533,1266 5.378,1267 11.17,1268 7.573,1269 9.912,1270 0.261,1271 0.159,1272 10.654,1273 6.055,1274 9.274,1275 0.163,1276 0.081,1277 9.948,1278 4.606,1279 8.249,1280 0.101,1281 0.043,1282 9.003,1283 3.549,1284 6.669,1285 0.064,1286 0.022,1287 7.186,1288 2.266,1289 0.376,1290 74.11,1291 0.246,1292 20.797,1293 0.782,1294 126,1295 365.83,1296 200.657,1297 395.829,1298 538.98,1299 368,1300 158,1301 380.386,1302 203.226,1303 400.514,1304 600.25,1305 378,1306 5} {0 CHEMBL2321967,1 1.612,2 9.125,3 3.133,4 9.816,5 86.308,6 8.898,7 0.593,8 3.739,9 3.813,10 3.446,11 3.332,12 5.025,13 3.354,14 4.212,15 4.309,16 3.849,17 3.727,18 5.535,19 3.742,20 4.381,21 4.5,22 3.93,23 3.799,24 5.759,25 3.815,26 4.462,27 4.599,28 3.868,29 3.747,30 5.845,31 3.761,32 4.355,33 4.479,34 3.808,35 3.617,36 5.872,37 3.651,38 4.309,39 4.465,40 3.638,41 3.531,42 5.828,43 3.523,44 4.091,45 4.259,46 3.339,47 3.384,48 5.341,49 3.344,50 3.98,51 4.174,52 3.025,53 3.16,54 5.152,55 3.092,56 0.123,57 0.482,58 4.786,59 3.031,60 13.312,61 2.906,62 0.346,63 0.771,64 9.238,65 4.998,66 31.67,67 5.111,68 0.308,69 0.921,70 11.461,71 5.916,72 34.404,73 6.163,74 0.512,75 0.976,76 14.65,77 6.362,78 67.361,79 6.122,80 0.503,81 0.856,82 12.766,83 5.606,84 69.159,85 5.318,86 0.619,87 0.802,88 14.213,89 5.777,90 89.721,91 6.233,92 0.286,93 0.669,94 10.587,95 4.769,96 37.749,97 5.201,98 0.308,99 0.587,100 10.703,101 4.347,102 45.823,103 4.797,104 19,105 40,106 0.286,107 0.666,108 0.786,109 0.883,110 0.893,111 0.893,112 3.23,113 0.806,114 -3.51,115 -3.49,116 -3.33,119 50,123 1,133 7,134 4,135 1,143 1,144 1,146 2,147 1,159 9,161 1,162 6,165 1,166 4,168 9,171 1,172 9,176 3,178 7,182 9,185 2,187 3,190 4,194 4,197 2,199 4,202 5,205 4,206 3,211 4,213 6,217 3,222 4,224 7,229 2,237 6,242 2,245 4,250 2,255 736,256 16.301,257 16.301,258 16.301,259 16.301,260 16.301,261 14.102,262 13.469,263 9.273,264 16.577,265 13.233,266 13.233,267 13.233,268 13.233,269 13.233,270 9.669,271 16.391,272 4.292,273 13.549,274 3.558,275 1.411,276 0.734,277 0.188,278 0.132,279 0.132,280 3.924,283 1,284 1,285 480,286 2.915,288 88.336,289 113.83,291 169.647,295 1.469,296 34.919,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53,307 219,308 4.746,309 3.762,310 7.039,311 4.341,312 3.354,313 4.635,314 1.674,315 12.063,316 3.311,317 4.461,318 3.639,319 6.569,320 4.033,321 3.046,322 4.172,323 0.6,324 10.368,325 3.005,326 4.053,327 3.202,328 6.009,329 3.684,330 2.691,331 3.499,333 8.49,334 2.661,335 3.659,336 2.636,337 5.737,338 3.235,339 2.254,340 3.064,342 7.483,343 2.207,344 3.349,345 2.379,346 5.201,347 2.917,348 1.939,349 2.627,351 5.76,352 1.893,353 3.182,354 2.165,355 4.85,356 2.7,357 1.736,358 2.422,360 5.117,361 1.656,362 2.996,363 1.84,364 4.623,365 2.473,366 1.508,367 2.139,369 4.427,370 1.447,371 2.83,372 1.523,373 4.123,374 2.339,375 1.354,376 1.983,378 3.428,379 1.33,380 2.784,381 1.46,382 3.631,383 2.303,384 1.332,385 1.827,386 2.934,387 1.28,388 2.399,389 1.395,390 3.596,391 1.829,392 0.807,393 1.213,394 2.04,395 0.818,396 2.004,397 1.292,398 3.328,399 1.466,400 0.508,401 0.73,402 1.32,403 0.485,404 1.478,405 0.644,406 2.73,407 1.127,408 0.202,409 0.242,411 0.281,412 0.183,413 1.21,414 0.279,415 2.538,416 0.767,417 -0.229,418 -0.3,420 -0.553,421 -0.221,422 0.911,423 -0.067,424 2.352,425 0.44,426 -0.521,427 -0.718,429 -1.267,430 -0.497,431 0.664,432 -0.193,433 2.299,434 0.2,435 -0.811,436 -1.153,438 -2.207,439 -0.811,440 11.133,441 0.464,442 0.661,443 0.028,444 35.25,445 1.469,446 19.5,447 0.813,448 15.75,449 0.656,450 15.124,451 0.63,452 24.267,453 0.674,454 26.788,455 1.116,456 7.2,457 0.3,458 4.397,459 0.183,460 0.135,462 0.449,466 0.785,467 1.022,468 0.649,469 0.864,470 0.675,471 0.747,472 0.698,473 0.986,474 0.672,475 0.812,476 0.579,477 0.756,478 0.828,479 1.164,480 0.787,481 1.062,482 0.821,483 0.943,484 1.233,485 1.01,486 1.061,487 0.982,488 1.303,489 0.971,490 1.218,491 1.114,492 1.006,493 1.068,494 1.274,495 0.992,496 0.94,497 0.891,498 0.99,499 0.922,500 1.108,501 0.963,502 0.949,503 1.074,504 1.123,505 1.116,506 0.983,507 1.153,508 1.083,509 0.971,510 1.292,511 1.105,512 1.176,513 1.215,514 4.5,515 0.057,516 3.333,517 2.618,518 1.481,519 1.153,520 0.557,521 0.26,522 0.202,523 0.139,524 5911,525 19173,526 2.11,527 33.3,529 10,532 2,536 1.672,537 1.946,538 3.153,539 0.296,540 1,541 1,543 1,545 58.039,546 1.612,547 3.758,548 4.436,549 4.982,550 5.038,551 5.038,552 2.669,553 4.585,554 4.555,555 3.275,556 903.846,557 7.88,558 10086.3,559 1,560 1,561 1,562 1,563 186.117,564 1.483,565 4.504,566 0.167,567 0.006,568 0.083,569 0.062,570 0.039,571 0.033,572 0.019,573 0.012,574 0.013,575 0.01,576 0.445,577 0.5,578 1,579 1.004,580 111.581,581 -0.104,582 -0.002,583 0.005,584 0.054,585 -0.11,586 0.063,587 0.078,588 0.024,589 0.079,590 0.122,591 0.029,592 0.101,593 -0.03,594 -0.148,595 0.029,596 -0.13,597 0.009,598 -0.056,599 -0.172,601 -0.128,602 -0.042,603 -0.162,604 -0.066,605 -0.064,606 -0.115,607 -0.074,608 -0.133,609 -0.028,610 -0.109,611 0.163,612 0.069,613 0.039,614 0.059,615 0.133,616 0.021,617 -0.125,618 -0.11,619 -0.157,620 -0.135,621 -0.1,622 -0.147,623 -0.171,624 -0.022,625 -0.222,626 -0.103,627 -0.205,628 -0.153,629 2.186,630 5.746,631 0.75,632 17.889,633 1.026,634 1.109,635 2.28,636 5.197,637 0.712,638 3.332,639 3.714,640 4.078,641 4.407,642 4.654,643 4.796,644 4.99,645 5.142,646 5.17,647 5.236,648 5.313,649 0.709,650 320.32,651 3.332,652 4.905,653 5.802,654 6.72,655 7.638,656 8.564,657 9.488,658 10.418,659 11.346,660 12.278,661 5.6,669 1,670 1,674 2,675 7,677 1,680 5,682 16,684 1,686 1,690 1,696 1,699 36,700 19,701 2,702 27,704 39,705 18,706 14,707 5,708 7,709 3,710 4,711 6,721 17,722 1,724 3,728 2,730 1,731 3,732 1,733 1,736 12,737 5,738 2,739 6,743 2,747 0.5,748 4,756 1,759 2,760 2,762 2,777 2,781 1,785 24,788 1,791 1,801 11.1,803 1,804 2,806 1,808 12.333,809 6.983,810 5.222,811 2.011,812 3.783,813 1.498,814 1.009,815 3.253,816 11.381,817 3.664,818 4.341,819 5.046,820 5.705,821 6.277,822 6.679,823 7.172,824 7.624,825 7.907,826 8.303,827 1,828 42,829 8.895,831 4.008,832 8.069,833 16.311,835 13.654,837 2.569,838 61.667,842 117.711,843 109.329,844 33.571,846 103.973,849 109.329,850 221.684,851 33.571,852 10.883,854 66.334,855 108.055,856 59.457,857 2.144,858 117.711,860 117.711,861 142.9,862 103.973,865 117.711,866 103.973,869 33.571,870 109.329,873 117.711,874 137.544,875 109.329,878 117.711,879 32.112,880 77.217,881 16.786,882 120.759,883 117.711,884 137.544,885 109.329,887 0.593,888 0.371,889 0.205,890 0.112,891 22,892 10,893 0.077,894 3,895 2,896 1.222,897 3.503,898 211.666,899 0.222,900 18,901 110.039,904 14.669,905 5.323,906 2.172,907 1.426,908 120.759,909 11.879,911 2.838,914 1.324,916 59.469,917 364.584,918 38,922 24.389,924 4.347,925 -0.702,926 36.931,927 39.91,928 0.312,929 0.727,930 0.858,931 0.964,932 0.974,933 0.974,934 4.92,935 1.354,936 5.82,937 4.427,938 4.394,939 5.027,940 1.992,941 6.718,942 4.355,943 6.174,944 1.332,945 7.435,946 3.428,947 4.111,948 4.977,950 7.774,951 4.069,952 7.52,953 0.807,954 9.151,955 2.934,956 6.071,957 7.342,958 2.832,959 10.935,960 6.006,961 8.907,962 0.508,963 10.925,964 2.04,965 6.621,966 8.135,968 12.829,969 6.553,970 10.328,971 0.202,972 12.735,973 1.32,974 8.073,975 9.979,976 3.81,977 15.517,978 7.988,979 11.773,980 -0.229,981 14.57,982 0.281,983 8.988,984 11.161,986 17.751,987 8.895,988 13.238,989 -0.521,990 16.424,991 -0.553,992 10.258,993 12.801,994 4.825,995 20.287,996 10.151,997 3.354,998 -0.811,999 18.293,1000 -1.267,1001 11.329,1002 14.163,1004 22.658,1005 11.211,1006 3.046,1007 12.063,1008 20.173,1009 -2.207,1010 12.536,1011 15.723,1012 5.851,1013 25.147,1014 12.406,1015 2.691,1016 10.368,1017 22.063,1018 4.635,1019 13.673,1020 17.168,1022 27.577,1023 13.53,1024 2.254,1025 8.49,1026 23.96,1027 4.172,1028 14.862,1029 18.698,1030 6.88,1031 30.053,1032 14.706,1033 1.939,1034 7.483,1035 25.863,1036 3.499,1037 16.028,1038 20.181,1040 32.509,1041 15.859,1042 1.736,1043 5.76,1044 27.772,1045 3.064,1046 17.215,1047 21.701,1048 7.91,1049 34.985,1050 17.033,1051 1.508,1052 5.117,1053 29.685,1054 2.627,1055 18.394,1056 23.203,1058 37.454,1059 18.2,1060 5682,1061 10330,1062 17.918,1063 25.636,1064 42.107,1065 44.16,1066 44.228,1067 41.429,1068 41.464,1069 57.103,1070 4.549,1071 127.424,1072 40.553,1073 5.596,1074 5.762,1075 6.72,1076 5.38,1077 5.354,1078 7.635,1079 3.349,1080 19.767,1081 5.311,1082 12.074,1083 1.56,1084 1.636,1085 1.638,1086 1.534,1087 1.536,1088 2.115,1089 0.168,1090 4.719,1091 1.502,1092 4.155,1093 4.179,1094 4.128,1095 4.068,1096 7.434,1097 4.079,1098 3.97,1099 3.988,1100 3.937,1101 3.894,1102 7.426,1103 3.901,1104 3.551,1105 3.561,1106 3.515,1107 3.398,1108 6.473,1109 3.418,1110 3.392,1111 3.429,1112 3.309,1113 3.182,1114 4.919,1115 3.212,1116 3.226,1117 3.277,1118 3.115,1119 2.981,1120 4.762,1121 3.004,1122 2.951,1123 2.998,1124 2.833,1125 2.805,1126 4.495,1127 2.801,1128 2.925,1129 2.978,1130 2.781,1131 2.774,1132 4.239,1133 2.764,1134 2.692,1135 2.731,1136 2.57,1137 2.464,1138 4.096,1139 2.483,1140 0.176,1141 0.139,1142 0.261,1143 0.161,1144 0.124,1145 4.746,1146 0.172,1147 3.762,1148 0.062,1149 7.039,1150 0.447,1151 4.341,1152 0.123,1153 3.354,1154 4.635,1155 1.674,1156 12.063,1157 3.311,1158 1.935,1159 1.913,1160 2.026,1161 2.013,1162 1.152,1163 2.018,1164 1.888,1165 1.875,1166 1.965,1167 1.971,1168 1.091,1169 1.967,1170 1.577,1171 1.553,1172 1.628,1173 1.772,1174 0.714,1175 1.73,1176 1.274,1177 1.247,1178 1.592,1179 1.598,1180 0.581,1181 1.584,1182 1.193,1183 1.154,1184 1.325,1185 1.446,1186 0.34,1187 1.406,1188 0.982,1189 0.94,1190 1.149,1191 1.198,1192 0.235,1193 1.169,1194 0.943,1195 0.892,1196 1.089,1197 1.111,1198 0.156,1199 1.122,1200 0.77,1201 0.708,1202 1.059,1203 0.985,1204 0.096,1205 1.011,1206 4.007,1208 5.371,1209 3.045,1210 6.934,1211 5.533,1212 8.587,1213 7.727,1214 10.287,1216 1.281,1221 10.21,1224 4.674,1231 25.536,1232 58.039,1233 135.305,1234 159.711,1235 179.362,1236 181.362,1237 181.362,1238 45.726,1239 7.597,1240 92.28,1241 92.28,1242 22,1243 12.78,1244 4.322,1245 3.585,1246 33.754,1247 76,1248 84,1249 0.225,1250 154.159,1251 268.58,1252 367.907,1253 19015,1255 16.845,1256 0.702,1257 0.528,1258 16.845,1259 12.661,1260 11.597,1261 0.43,1262 0.269,1263 7.14,1264 11.126,1265 6.987,1266 5.768,1267 11.597,1268 7.257,1269 10.64,1270 0.266,1271 0.135,1272 10.64,1273 5.407,1274 9.751,1275 0.168,1276 0.07,1277 9.751,1278 4.033,1279 8.31,1280 0.103,1281 0.036,1282 8.31,1283 2.896,1284 6.858,1285 0.066,1286 0.019,1287 6.858,1288 1.937,1289 0.342,1290 73.243,1291 0.236,1292 22.854,1293 0.656,1294 134,1295 447.334,1296 147.629,1297 427.763,1298 581.5,1299 398,1300 165,1301 425.919,1302 178.688,1303 432.357,1304 642.12,1305 406,1306 5} {0 CHEMBL2321968,1 1.629,2 8.478,3 2.882,4 8.307,5 81.539,6 9.282,7 0.615,8 3.667,9 3.736,10 3.398,11 3.28,12 5.007,13 3.307,14 4.111,15 4.187,16 3.821,17 3.689,18 5.56,19 3.706,20 4.343,21 4.465,22 3.882,23 3.752,24 5.747,25 3.768,26 4.381,27 4.52,28 3.816,29 3.676,30 5.798,31 3.693,32 4.276,33 4.404,34 3.751,35 3.503,36 5.853,37 3.557,38 4.147,39 4.271,40 3.571,41 3.385,42 5.851,43 3.408,44 3.938,45 4.091,46 3.198,47 3.238,48 5.237,49 3.207,50 3.775,51 3.961,52 2.933,53 3.025,54 4.973,55 2.962,56 0.157,57 0.439,58 3.932,59 2.664,60 24.009,61 2.294,62 0.277,63 0.696,64 5.901,65 4.279,66 44.756,67 4.208,68 0.368,69 0.879,70 10.333,71 5.579,72 52.838,73 5.551,74 0.484,75 0.912,76 12.287,77 5.825,78 73.188,79 5.615,80 0.548,81 0.789,82 11.745,83 5.11,84 89.775,85 4.651,86 0.599,87 0.677,88 10.387,89 4.593,90 108.059,91 4.288,92 0.314,93 0.571,94 8.21,95 3.881,96 49.308,97 3.718,98 0.226,99 0.471,100 7.998,101 3.735,102 37.868,103 4.341,104 18,105 39,106 0.293,107 0.635,108 0.779,109 0.897,110 0.908,111 0.908,112 3.19,113 0.792,114 -3.27,115 -3.26,116 -3.13,119 51.5,133 7,134 4,135 1,143 1,144 1,146 2,147 1,156 1,158 1,159 9,160 1,162 5,164 1,165 1,166 5,168 9,169 2,171 1,172 7,176 5,178 7,179 2,182 7,185 2,187 5,190 4,194 4,195 2,197 2,199 4,202 5,205 2,206 3,209 2,211 4,213 6,214 1,217 2,222 5,224 7,225 1,229 1,234 1,235 2,237 6,238 1,242 1,245 2,246 2,247 1,250 2,251 2,255 653,256 15.43,257 15.43,258 15.43,259 15.43,260 15.43,261 13.179,262 12.482,263 8.771,264 15.555,265 12.812,266 12.812,267 12.812,268 12.812,269 12.812,270 9.255,271 15.944,272 4.137,273 13.024,274 3.415,275 1.517,276 0.717,277 0.061,280 3.883,283 1,284 1,285 429,286 2.739,288 82.012,289 106.718,291 158.503,295 1.327,296 36.911,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 51,307 195,308 4.746,309 3.759,310 7.039,311 4.341,312 3.354,313 4.635,314 1.437,315 12.062,316 3.311,317 4.459,318 3.569,319 6.567,320 4.03,321 3.042,322 4.17,323 0.6,324 10.361,325 3.003,326 4.026,327 3.202,328 5.933,329 3.649,330 2.648,331 3.481,333 8.22,334 2.638,335 3.648,336 2.634,337 5.714,338 3.226,339 2.243,340 3.052,342 7.396,343 2.2,344 3.342,345 2.377,346 5.199,347 2.912,348 1.933,349 2.618,351 5.753,352 1.889,353 3.182,354 2.162,355 4.849,356 2.699,357 1.736,358 2.421,360 5.113,361 1.656,362 2.981,363 1.832,364 4.618,365 2.439,366 1.462,367 2.122,369 4.387,370 1.423,371 2.83,372 1.522,373 3.806,374 2.339,375 1.354,376 1.982,378 2.936,379 1.329,380 2.722,381 1.395,382 3.628,383 2.209,384 1.206,385 1.719,386 2.893,387 1.192,388 2.396,389 1.292,390 3.596,391 1.823,392 0.798,393 1.205,394 2.033,395 0.811,396 2.003,397 0.652,398 3.32,399 1.452,400 0.485,401 0.716,402 1.29,403 0.468,404 1.212,405 0.457,406 2.678,407 0.784,408 -0.208,409 -0.271,411 -0.518,412 -0.2,413 0.911,414 0.231,415 2.38,416 0.441,417 -0.512,418 -0.691,420 -1.257,421 -0.483,422 0.667,423 -0.074,424 2.3,425 0.2,426 -0.81,427 -1.153,429 -2,430 -0.811,431 0.637,432 -0.609,433 2.236,434 0.137,435 -0.86,436 -1.186,438 -2.208,439 -0.849,440 10.633,441 0.462,442 0.699,443 0.03,444 34.5,445 1.5,446 19.5,447 0.848,448 15,449 0.652,450 13.905,451 0.605,452 22.967,453 0.696,454 25.705,455 1.118,456 6.973,457 0.303,458 4.086,459 0.178,460 0.125,462 0.47,466 0.832,467 0.902,468 0.663,469 0.72,470 0.76,471 0.651,472 0.47,473 1.104,474 0.62,475 0.948,476 0.475,477 0.869,478 0.831,479 1.123,480 0.843,481 1.038,482 0.782,483 0.965,484 1.057,485 1.053,486 1.023,487 1.047,488 1.046,489 1.025,490 1.247,491 1.042,492 0.967,493 0.981,494 1.24,495 0.899,496 1.066,497 0.914,498 1.078,499 0.94,500 1.111,501 0.997,502 1.097,503 0.98,504 1.308,505 1.07,506 1.042,507 1.198,508 0.77,509 1.062,510 1.104,511 1.23,512 0.787,513 1.273,514 4.5,515 0.037,516 3.111,517 2.618,518 1.481,519 1.126,520 0.476,521 0.22,522 0.202,523 0.119,524 5234,525 18022,526 2.115,527 30.3,529 7,532 3,536 1.661,537 1.944,538 3.064,539 1.032,541 1,543 1,545 53.759,546 1.629,547 3.527,548 4.328,549 4.984,550 5.044,551 5.044,552 2.533,553 4.263,554 4.495,555 3.189,556 806.871,557 7.761,558 8692.79,559 1,560 1,561 1,562 1,563 166.465,564 1.491,565 4.44,566 0.173,567 0.007,568 0.08,569 0.065,570 0.041,571 0.034,572 0.018,573 0.012,574 0.014,575 0.01,576 0.455,577 0.5,578 1,579 0.832,580 104.862,581 -0.153,582 0.1,583 -0.044,584 0.173,585 -0.149,586 0.125,587 0.152,588 -0.108,589 0.022,590 -0.054,591 0.113,592 -0.064,593 -0.05,594 -0.124,595 -0.002,596 -0.107,597 -0.02,598 -0.056,599 -0.112,600 -0.046,601 -0.077,602 -0.101,603 -0.109,604 -0.084,605 -0.08,606 -0.045,607 0.028,608 -0.031,609 -0.061,610 0.023,611 0.117,612 0.058,613 -0.077,614 0.026,615 0.152,616 -0.062,617 -0.221,618 -0.008,619 -0.33,620 -0.095,621 -0.185,622 -0.198,623 -0.008,624 -0.169,625 -0.003,626 -0.188,627 -0.047,628 -0.121,629 2.774,630 5.617,631 0.783,632 15.8,633 1.032,634 1.106,635 2.042,636 4.171,637 0.723,638 3.296,639 3.689,640 4.043,641 4.382,642 4.635,643 4.771,644 4.949,645 5.1,646 5.118,647 5.159,648 5.052,649 0.728,650 306.29,651 3.296,652 4.875,653 5.771,654 6.693,655 7.611,656 8.539,657 9.465,658 10.395,659 11.324,660 12.257,661 6.1,669 1,670 1,674 2,675 7,677 1,680 5,682 16,684 1,686 1,689 1,696 1,699 33,700 19,701 2,702 26,704 36,705 17,706 14,707 5,708 7,709 3,710 4,711 6,721 17,724 3,728 2,730 1,731 3,732 1,733 1,736 10,737 5,738 3,739 6,743 2,747 0.5,748 4,756 1,759 2,760 2,762 2,775 1,777 2,785 23,788 2,801 12.1,803 2,804 2,808 11.833,809 6.017,810 4.889,811 1.853,812 3.796,813 1.505,814 1.002,815 2.864,816 11.308,817 3.638,818 4.327,819 5.026,820 5.695,821 6.268,822 6.668,823 7.154,824 7.604,825 7.887,826 8.275,827 0.833,828 40,829 8.532,831 3.934,832 8.203,833 15.478,835 13.179,837 2.703,838 62.167,842 82.398,843 92.164,844 33.571,846 135.657,849 92.164,850 218.054,851 33.571,854 66.334,855 144.457,856 48.457,857 2.144,858 82.398,860 82.398,861 125.735,862 135.657,865 82.398,866 135.657,869 33.571,870 92.164,873 82.398,874 169.228,875 92.164,878 82.398,879 25.831,880 66.334,881 16.786,882 152.442,883 82.398,884 169.228,885 92.164,887 0.6,888 0.366,889 0.204,890 0.115,891 22,892 10,893 0.056,894 2,895 2,896 1.222,897 3.412,898 201.123,899 0.222,900 18,901 104.042,904 13.733,905 4.797,906 1.978,907 1.376,908 152.442,909 11.382,911 2.809,914 0.851,916 102.152,917 343.79,918 37,922 23.67,924 4.281,925 -1.398,926 34.047,927 36.495,928 0.323,929 0.699,930 0.858,931 0.988,932 1,933 1,934 4.898,935 1.354,936 5.796,937 4.387,938 4.369,939 5.014,940 1.766,941 6.696,942 4.339,943 6.159,944 1.206,945 7.413,946 2.936,947 4.111,948 4.977,950 7.753,951 4.069,952 7.508,953 0.798,954 9.13,955 2.893,956 6.047,957 7.333,958 2.28,959 10.914,960 5.993,961 8.896,962 0.485,963 10.904,964 2.033,965 6.608,966 8.129,968 12.81,969 6.544,970 10.316,971 -0.208,972 12.715,973 1.29,974 8.054,975 9.973,976 2.927,977 15.5,978 7.977,979 11.762,980 -0.512,981 14.551,982 -0.518,983 8.972,984 11.155,986 17.736,987 8.886,988 13.227,989 -0.81,990 16.405,991 -1.257,992 10.241,993 12.797,994 3.62,995 20.273,996 10.142,997 3.354,998 -0.86,999 18.275,1000 -2,1001 11.314,1002 14.159,1004 22.648,1005 11.202,1006 3.042,1007 12.062,1008 20.155,1009 -2.208,1010 12.522,1011 15.72,1012 4.33,1013 25.138,1014 12.397,1015 2.648,1016 10.361,1017 22.045,1018 4.635,1019 13.659,1020 17.165,1022 27.57,1023 13.522,1024 2.243,1025 8.22,1026 23.943,1027 4.17,1028 14.85,1029 18.695,1030 5.047,1031 30.047,1032 14.699,1033 1.933,1034 7.396,1035 25.847,1036 3.481,1037 16.016,1038 20.178,1040 32.505,1041 15.852,1042 1.736,1043 5.753,1044 27.757,1045 3.052,1046 17.204,1047 21.699,1048 5.769,1049 34.981,1050 17.026,1051 1.462,1052 5.113,1053 29.671,1054 2.618,1055 18.384,1056 23.201,1058 37.451,1059 18.194,1060 5015,1061 9401,1062 17.224,1063 23.875,1064 41.361,1065 42.487,1066 42.54,1067 40.576,1068 40.523,1069 56.24,1070 4.073,1071 124.886,1072 39.842,1073 5.594,1074 5.759,1075 6.72,1076 5.379,1077 5.354,1078 7.635,1079 2.873,1080 19.767,1081 5.311,1082 11.662,1083 1.591,1084 1.634,1085 1.636,1086 1.561,1087 1.559,1088 2.163,1089 0.157,1090 4.803,1091 1.532,1092 4.154,1093 4.179,1094 4.128,1095 4.068,1096 7.475,1097 4.079,1098 3.968,1099 3.987,1100 3.935,1101 3.894,1102 7.428,1103 3.9,1104 3.528,1105 3.54,1106 3.494,1107 3.393,1108 6.473,1109 3.41,1110 3.364,1111 3.394,1112 3.295,1113 3.163,1114 6.351,1115 3.194,1116 3.109,1117 3.117,1118 3.043,1119 2.885,1120 4.917,1121 2.913,1122 2.929,1123 2.98,1124 2.828,1125 2.805,1126 4.752,1127 2.801,1128 2.768,1129 2.817,1130 2.664,1131 2.54,1132 4.254,1133 2.572,1134 2.606,1135 2.632,1136 2.478,1137 2.321,1138 4.1,1139 2.351,1140 0.183,1141 0.145,1142 0.271,1143 0.167,1144 0.129,1145 4.746,1146 0.178,1147 3.759,1148 0.055,1149 7.039,1150 0.464,1151 4.341,1152 0.127,1153 3.354,1154 4.635,1155 1.437,1156 12.062,1157 3.311,1158 1.935,1159 1.913,1160 2.026,1161 2.013,1162 1.152,1163 2.018,1164 1.887,1165 1.873,1166 1.963,1167 1.968,1168 1.087,1169 1.965,1170 1.577,1171 1.553,1172 1.628,1173 1.772,1174 0.714,1175 1.73,1176 1.194,1177 1.165,1178 1.325,1179 1.446,1180 0.34,1181 1.406,1182 1.119,1183 1.121,1184 1.184,1185 1.422,1186 0.235,1187 1.337,1188 0.959,1189 0.92,1190 1.145,1191 1.117,1192 0.153,1193 1.125,1194 0.771,1195 0.71,1196 1.06,1197 0.985,1198 0.096,1199 1.011,1200 0.671,1201 0.622,1202 0.87,1203 0.921,1205 0.914,1206 3.97,1208 5.342,1209 3.045,1210 6.909,1211 5.533,1212 8.563,1213 7.727,1214 10.264,1221 19.196,1231 24.009,1232 53.759,1233 116.407,1234 142.814,1235 164.465,1236 166.465,1237 166.465,1238 45.928,1239 7.512,1240 103.28,1241 103.28,1242 22,1243 12.758,1244 4.322,1245 3.585,1246 31.724,1247 69,1248 68,1249 0.233,1250 144.566,1251 251.28,1252 344.502,1253 17031,1255 16.137,1256 0.702,1257 0.509,1258 16.137,1259 11.7,1260 11.059,1261 0.425,1262 0.264,1263 6.778,1264 10.666,1265 6.678,1266 5.479,1267 11.059,1268 6.868,1269 10.498,1270 0.269,1271 0.134,1272 10.498,1273 5.221,1274 9.245,1275 0.165,1276 0.069,1277 9.245,1278 3.859,1279 8.065,1280 0.102,1281 0.035,1282 8.065,1283 2.784,1284 6.718,1285 0.066,1286 0.018,1287 6.718,1288 1.878,1289 0.351,1290 69.477,1291 0.241,1292 21.932,1293 0.686,1294 130,1295 431.748,1296 142.854,1297 417.683,1298 564.74,1299 386,1300 160,1301 414.404,1302 172.359,1303 419.661,1304 623.88,1305 396,1306 5.699} {0 CHEMBL2321969,1 1.75,2 9.24,3 3.882,4 15.066,5 93.93,6 11.089,7 0.571,8 3.744,9 3.81,10 3.636,11 3.379,12 5.034,13 3.39,14 4.219,15 4.305,16 4.096,17 3.79,18 5.55,19 3.789,20 4.392,21 4.493,22 4.28,23 3.886,24 5.79,25 3.881,26 4.475,27 4.59,28 4.229,29 3.86,30 5.873,31 3.842,32 4.364,33 4.473,34 4.11,35 3.681,36 5.909,37 3.702,38 4.319,39 4.459,40 3.967,41 3.607,42 5.847,43 3.582,44 4.104,45 4.251,46 3.914,47 3.491,48 5.418,49 3.437,50 3.989,51 4.169,52 3.518,53 3.269,54 5.181,55 3.181,56 0.152,57 0.461,58 1.903,59 2.854,60 15.217,61 2.573,62 0.385,63 0.742,64 5.693,65 4.954,66 34.271,67 4.718,68 0.375,69 0.883,70 12.134,71 6.221,72 38.392,73 5.812,74 0.587,75 0.951,76 18.739,77 7.234,78 72.454,79 5.962,80 0.576,81 0.84,82 14.138,83 6.129,84 71.329,85 5.112,86 0.671,87 0.788,88 16.825,89 6.34,90 93.759,91 6.183,92 0.35,93 0.653,94 10.056,95 5.219,96 38.654,97 5.046,98 0.354,99 0.584,100 9.087,101 4.757,102 49.585,103 4.75,104 28,105 42,106 0.31,107 0.707,108 0.816,109 0.893,110 0.893,111 0.893,112 3.268,113 0.874,114 -3.86,115 -3.82,116 -3.62,117 1,119 50,123 1,133 6,134 4,135 2,143 1,144 1,146 2,147 1,159 8,161 1,162 6,165 1,166 3,168 8,171 1,172 9,176 4,178 7,182 9,185 2,187 2,190 6,194 3,197 2,199 5,202 5,205 4,206 3,211 4,213 5,217 4,222 4,224 6,229 2,237 6,242 2,245 4,250 4,255 829,256 16.801,257 16.801,258 16.801,259 16.801,260 16.801,261 14.557,262 15.113,263 9.435,264 17.208,265 13.7,266 13.7,267 13.7,268 13.7,269 13.7,270 10.061,271 17.067,272 4.347,273 14.299,274 3.42,275 1.181,276 0.563,277 0.132,278 0.132,279 0.132,280 3.96,284 1,285 503,286 3,288 92.368,289 119.61,291 177.914,295 1.53,296 36.747,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.75,307 231,308 4.772,309 3.764,310 7.068,311 4.353,312 3.372,313 4.696,314 1.674,315 12.171,316 3.314,317 4.492,318 3.639,319 6.624,320 4.064,321 3.084,322 4.188,323 0.6,324 10.546,325 3.015,326 4.079,327 3.317,328 6.096,329 3.702,330 2.716,331 3.552,333 8.712,334 2.666,335 3.812,336 2.826,337 5.926,338 3.379,339 2.444,340 3.239,342 8.082,343 2.255,344 3.378,345 2.633,346 5.306,347 2.951,348 1.97,349 2.638,351 6.034,352 1.911,353 3.233,354 2.193,355 4.966,356 2.738,357 1.799,358 2.539,360 5.282,361 1.668,362 3.108,363 2.035,364 4.809,365 2.596,366 1.647,367 2.26,369 4.967,370 1.513,371 2.869,372 1.791,373 4.235,374 2.381,375 1.417,376 2.015,378 3.615,379 1.351,380 2.792,381 1.461,382 4.107,383 2.315,384 1.346,385 1.842,386 3.358,387 1.29,388 2.423,389 1.432,390 3.679,391 1.879,392 0.883,393 1.288,394 2.302,395 0.85,396 2.182,397 1.318,398 3.426,399 1.583,400 0.657,401 0.955,402 1.704,403 0.575,404 1.479,405 1.012,406 2.799,407 1.134,408 0.214,409 0.253,411 0.302,412 0.191,413 1.277,414 0.43,415 2.56,416 0.833,417 -0.079,418 -0.099,420 -0.185,421 -0.058,422 1.103,423 0.165,424 2.426,425 0.579,426 -0.381,427 -0.535,429 -0.903,430 -0.324,431 0.727,432 -0.177,433 2.345,434 0.252,435 -0.662,436 -0.848,438 -1.612,439 -0.543,440 12.467,441 0.499,442 0.751,443 0.03,444 35.75,445 1.43,446 19.5,447 0.78,448 16.25,449 0.65,450 18.831,451 0.753,452 24.733,453 0.687,454 26.286,455 1.051,456 7.016,457 0.281,458 4.991,459 0.2,460 0.227,462 0.441,466 0.788,467 0.996,468 0.464,469 0.69,470 0.68,471 0.676,472 0.709,473 0.949,474 0.549,475 0.654,476 0.584,477 0.673,478 0.834,479 1.18,480 0.91,481 1.02,482 0.826,483 0.928,484 1.282,485 0.99,486 1.156,487 0.991,488 1.335,489 0.984,490 1.166,491 1.138,492 0.798,493 1.055,494 1.25,495 1.01,496 0.933,497 0.927,498 0.826,499 0.919,500 1.125,501 0.977,502 0.882,503 1.052,504 0.879,505 1.018,506 0.928,507 1.062,508 1.091,509 0.922,510 0.769,511 0.886,512 1.175,513 1.105,514 5,515 0.09,516 3.778,517 2.806,518 1.797,519 1.209,520 0.598,521 0.364,522 0.22,523 0.164,524 6490,525 23774,526 2.081,527 30.6,529 9,532 2,536 1.684,537 1.899,538 3.179,539 0.312,541 1,545 63.005,546 1.75,547 3.989,548 4.607,549 5.038,550 5.038,551 5.038,552 2.695,553 4.484,554 4.614,555 3.314,556 994.127,557 7.999,558 11414.6,560 1,562 1,563 186.117,564 1.516,565 4.552,566 0.179,567 0.009,568 0.09,569 0.062,570 0.044,571 0.033,572 0.019,573 0.015,574 0.013,575 0.01,576 0.473,577 0.5,578 1,579 1.022,580 117.929,581 -0.112,582 0.004,583 -0.008,584 0.047,585 -0.112,586 0.058,587 0.061,588 0.049,589 0.023,590 0.145,591 0.028,592 0.132,593 -0.032,594 -0.176,595 -0.023,596 -0.128,597 0.004,598 -0.072,599 -0.23,600 0.02,601 -0.113,602 -0.025,603 -0.2,604 -0.086,605 -0.034,606 -0.135,607 -0.033,608 -0.169,609 -0.008,610 -0.143,611 0.159,612 0.041,613 -0.002,614 0.03,615 0.116,616 0.012,617 -0.045,618 -0.087,619 0.062,620 -0.05,621 -0.042,622 -0.052,623 -0.175,624 0.042,625 0.027,626 0.079,627 -0.197,628 -0.02,629 2.192,630 5.82,631 0.72,632 19.232,633 1.032,634 1.104,635 2.626,636 6.898,637 0.75,638 3.367,639 3.761,640 4.127,641 4.454,642 4.71,643 4.868,644 5.05,645 5.215,646 5.263,647 5.323,648 5.453,649 0.738,650 399.21,651 3.367,652 4.949,653 5.849,654 6.772,655 7.693,656 8.622,657 9.551,658 10.484,659 11.416,660 12.351,661 5.6,669 1,670 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,690 1,696 1,698 1,699 36,700 19,701 2,702 28,703 1,704 39,705 18,706 14,707 6,708 6,709 3,710 4,711 6,721 17,722 1,724 3,728 2,730 1,731 3,733 1,736 11,737 5,738 2,739 7,740 1,743 2,747 0.5,748 4,756 1,759 2,760 2,762 2,777 2,780 1,781 1,785 25,788 1,791 1,800 1,801 11.1,803 1,804 2,806 1,808 13.167,809 7.043,810 5.417,811 1.998,812 3.81,813 1.495,814 1.012,815 3.746,816 11.515,817 3.689,818 4.379,819 5.088,820 5.749,821 6.326,822 6.75,823 7.227,824 7.69,825 7.991,826 8.371,827 1,828 45,829 9.264,831 4.171,832 8.063,833 16.982,835 14.221,837 2.563,838 64.083,842 105.94,843 102.908,844 79.525,846 103.973,849 148.862,850 209.913,851 33.571,852 10.883,854 56.857,855 108.055,856 62.512,857 2.144,858 105.94,859 45.954,860 105.94,861 136.479,862 103.973,864 45.954,865 105.94,866 103.973,869 33.571,870 102.908,872 45.954,873 105.94,874 137.544,875 148.862,878 105.94,879 35.167,880 67.741,881 62.74,882 120.759,883 105.94,884 137.544,885 148.862,887 0.598,888 0.375,889 0.204,890 0.112,891 23,892 11,893 0.077,894 3,895 2,896 1.222,897 3.542,898 224.975,899 0.222,900 18,901 116.096,904 16.062,905 5.83,906 2.409,907 1.358,908 120.759,909 10.042,911 2.86,914 2.019,916 59.469,917 392.346,918 39,922 24.495,924 4.362,925 -0.737,926 37.16,927 39.752,928 0.339,929 0.771,930 0.891,931 0.974,932 0.974,933 0.974,934 4.956,935 1.417,936 5.878,937 4.967,938 4.443,939 5.066,940 1.992,941 6.786,942 4.37,943 6.219,944 1.346,945 7.503,946 3.615,947 4.205,948 5.066,950 7.861,951 4.099,952 7.573,953 0.883,954 9.226,955 3.358,956 6.133,957 7.396,958 2.832,959 11.02,960 6.022,961 8.966,962 0.657,963 11.006,964 2.302,965 6.711,966 8.225,968 12.92,969 6.576,970 10.392,971 0.214,972 12.82,973 1.704,974 8.146,975 10.051,976 3.81,977 15.613,978 8.005,979 11.842,980 -0.079,981 14.659,982 0.302,983 9.075,984 11.257,986 17.849,987 8.915,988 13.311,989 -0.381,990 16.517,991 -0.185,992 10.339,993 12.893,994 4.825,995 20.392,996 10.169,997 3.372,998 -0.662,999 18.388,1000 -0.903,1001 11.418,1002 14.274,1004 22.767,1005 11.23,1006 3.084,1007 12.171,1008 20.27,1009 -1.612,1010 12.625,1011 15.837,1012 5.851,1013 25.263,1014 12.424,1015 2.716,1016 10.546,1017 22.161,1018 4.696,1019 13.766,1020 17.297,1022 27.698,1023 13.549,1024 2.444,1025 8.712,1026 24.06,1027 4.188,1028 14.957,1029 18.834,1030 6.88,1031 30.181,1032 14.726,1033 1.97,1034 8.082,1035 25.966,1036 3.552,1037 16.127,1038 20.332,1040 32.644,1041 15.879,1042 1.799,1043 6.034,1044 27.876,1045 3.239,1046 17.317,1047 21.863,1048 7.91,1049 35.127,1050 17.054,1051 1.647,1052 5.282,1053 29.792,1054 2.638,1055 18.501,1056 23.379,1058 37.603,1059 18.221,1060 6277,1061 12104,1062 18.323,1063 26.989,1064 43.813,1065 46.265,1066 46.485,1067 43.263,1068 43.098,1069 58.931,1070 4.549,1071 134.152,1072 41.199,1073 5.622,1074 5.764,1075 6.612,1076 5.394,1077 5.372,1078 7.696,1079 3.349,1080 19.909,1081 5.314,1082 13.923,1083 1.565,1084 1.652,1085 1.66,1086 1.545,1087 1.539,1088 2.105,1089 0.162,1090 4.791,1091 1.471,1092 4.156,1093 4.178,1094 6.881,1095 4.082,1096 7.434,1097 4.087,1098 3.971,1099 3.988,1100 4.101,1101 3.901,1102 7.426,1103 3.905,1104 3.553,1105 3.56,1106 3.917,1107 3.417,1108 6.473,1109 3.427,1110 3.394,1111 3.428,1112 3.502,1113 3.188,1114 4.913,1115 3.217,1116 3.226,1117 3.277,1118 3.284,1119 2.986,1120 4.76,1121 3.005,1122 2.951,1123 2.998,1124 3.114,1125 2.918,1126 4.496,1127 2.862,1128 2.94,1129 2.968,1130 2.811,1131 2.777,1132 4.242,1133 2.768,1134 2.695,1135 2.729,1136 2.697,1137 2.475,1138 4.096,1139 2.49,1140 0.17,1141 0.134,1142 0.252,1143 0.155,1144 0.12,1145 4.772,1146 0.168,1147 3.764,1148 0.06,1149 7.068,1150 0.435,1151 4.353,1152 0.118,1153 3.372,1154 4.696,1155 1.674,1156 12.171,1157 3.314,1158 1.931,1159 1.915,1160 1.979,1161 1.99,1162 1.161,1163 1.998,1164 1.888,1165 1.875,1166 1.965,1167 1.971,1168 1.091,1169 1.967,1170 1.576,1171 1.554,1172 1.613,1173 1.77,1174 0.713,1175 1.727,1176 1.274,1177 1.247,1178 1.592,1179 1.598,1180 0.581,1181 1.584,1182 1.193,1183 1.154,1184 1.322,1185 1.446,1186 0.338,1187 1.406,1188 0.982,1189 0.94,1190 1.146,1191 1.198,1192 0.234,1193 1.169,1194 0.943,1195 0.893,1196 1.088,1197 1.109,1198 0.156,1199 1.119,1200 0.755,1201 0.72,1202 0.946,1203 0.914,1204 0.049,1205 0.94,1206 4.043,1208 5.416,1209 3.045,1210 6.987,1211 5.533,1212 8.648,1213 7.735,1214 10.356,1215 3.411,1216 1.279,1221 10.313,1224 4.682,1231 26.561,1232 63.005,1233 143.588,1234 165.853,1235 181.362,1236 181.362,1237 181.362,1238 49.99,1239 7.704,1240 92.28,1241 92.28,1242 22,1243 12.85,1244 4.322,1245 3.585,1246 35.81,1247 81,1248 91,1249 0.224,1250 166.072,1251 287.86,1252 396.977,1253 21571,1254 2.8,1255 17.715,1256 0.709,1257 0.582,1258 18.715,1259 14.547,1260 12.007,1261 0.429,1262 0.291,1263 7.295,1264 11,1265 7.088,1266 5.827,1267 12.585,1268 8.155,1269 11.168,1270 0.266,1271 0.152,1272 11.909,1273 6.378,1274 10.231,1275 0.168,1276 0.078,1277 10.947,1278 4.77,1279 8.637,1280 0.102,1281 0.04,1282 9.224,1283 3.401,1284 7.144,1285 0.065,1286 0.021,1287 7.701,1288 2.291,1289 0.339,1290 84.079,1291 0.234,1292 23.643,1293 0.65,1294 140,1295 473.989,1296 219.499,1297 489.784,1298 653.49,1299 454,1300 173,1301 450.652,1302 221.713,1303 469.872,1304 699.3,1305 441,1306 5} {0 CHEMBL2321970,1 1.862,2 10.071,3 4.075,4 16.609,5 92.281,6 9.957,7 0.516,8 3.839,9 3.907,10 3.612,11 3.387,12 5.199,13 3.444,14 4.361,15 4.452,16 4.111,17 3.786,18 6.182,19 3.847,20 4.487,21 4.589,22 4.149,23 3.88,24 6.002,25 3.941,26 4.652,27 4.78,28 4.192,29 3.862,30 6.247,31 3.941,32 4.599,33 4.724,34 4.132,35 3.736,36 6.275,37 3.846,38 4.487,39 4.626,40 3.942,41 3.615,42 6.302,43 3.669,44 4.298,45 4.458,46 3.736,47 3.494,48 5.846,49 3.533,50 4.222,51 4.375,52 3.644,53 3.302,54 6.04,55 3.359,56 0.353,57 0.762,58 3.375,59 3.499,60 55.908,61 2.732,62 1.104,63 1.588,64 8.862,65 5.903,66 167.884,67 4.858,68 0.754,69 1.369,70 8.679,71 6.7,72 107.416,73 5.867,74 1.242,75 1.626,76 14.133,77 7.486,78 172.643,79 5.86,80 1.274,81 1.551,82 13.949,83 7.356,84 199.922,85 5.423,86 1.384,87 1.144,88 15.164,89 6.712,90 230.334,91 6.184,92 0.865,93 1.135,94 11.372,95 5.554,96 125.968,97 5.16,98 1.011,99 0.986,100 11.347,101 5.261,102 186.844,103 4.763,104 55,105 48,106 0.325,107 0.711,108 0.811,109 0.88,110 0.88,111 0.88,112 3.376,113 0.773,114 -4.08,115 -4.03,116 -3.81,119 48.7,123 1,127 1,133 6,134 5,135 1,143 1,144 1,146 2,147 1,159 9,161 1,162 6,165 1,166 4,168 9,171 1,172 9,176 3,178 7,182 9,185 2,187 3,190 4,194 4,197 2,199 4,202 5,205 4,206 3,211 4,213 6,217 3,222 4,224 7,229 2,237 6,242 2,245 4,250 2,255 1126,256 18.273,257 18.273,258 18.273,259 18.273,260 18.273,261 16.12,262 17.923,263 10.13,264 18.796,265 15.194,266 15.194,267 15.194,268 15.194,269 15.194,270 11.611,271 20.545,272 4.678,273 15.987,274 3.424,275 1.212,276 0.642,277 0.244,278 0.244,279 0.244,280 4.062,283 1,284 1,285 604,286 3.873,288 105.996,289 138.529,291 205.18,295 1.587,296 65.388,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 65.5,307 282,308 4.813,309 4.471,310 7.322,311 4.41,312 3.467,313 4.721,314 3.825,315 12.73,316 3.339,317 4.556,318 3.762,319 6.989,320 4.213,321 3.27,322 4.199,323 1.674,324 11.712,325 3.106,326 4.277,327 3.639,328 6.551,329 3.929,330 2.983,331 3.68,332 0.6,333 10.253,334 2.781,335 4.022,336 3.21,337 6.013,338 3.663,339 2.679,340 3.396,342 8.49,343 2.598,344 3.58,345 2.637,346 5.79,347 3.176,348 2.227,349 2.854,351 7.606,352 2.088,353 3.342,354 2.468,355 5.244,356 2.911,357 1.94,358 2.623,360 5.855,361 1.863,362 3.178,363 2.173,364 4.895,365 2.7,366 1.742,367 2.389,369 5.168,370 1.651,371 2.996,372 1.876,373 4.776,374 2.491,375 1.541,376 2.123,378 4.783,379 1.441,380 2.837,381 1.677,382 4.203,383 2.354,384 1.38,385 1.984,386 3.514,387 1.334,388 2.787,389 1.461,390 4.104,391 2.311,392 1.344,393 1.83,394 3.317,395 1.284,396 2.405,397 1.42,398 3.68,399 1.851,400 0.834,401 1.235,402 2.201,403 0.839,404 2.079,405 1.308,406 3.437,407 1.534,408 0.586,409 0.838,411 1.606,412 0.552,413 1.478,414 0.802,415 2.928,416 1.131,417 0.208,418 0.247,420 0.29,421 0.187,422 1.228,423 0.51,424 2.667,425 0.804,426 -0.173,427 -0.22,429 -0.432,430 -0.163,431 1.004,432 0.51,433 2.525,434 0.535,435 -0.456,436 -0.644,438 -1.128,439 -0.45,440 12.49,441 0.446,442 1.039,443 0.037,444 38,445 1.357,446 19.5,447 0.696,448 18.5,449 0.661,450 20.603,451 0.736,452 30.11,453 0.772,454 34.193,455 1.221,456 7.894,457 0.282,458 5.324,459 0.19,460 0.189,461 0.04,462 0.44,463 3,466 0.675,467 0.85,468 0.563,469 0.894,470 0.652,471 0.755,472 0.515,473 0.661,474 0.546,475 0.756,476 0.445,477 0.72,478 0.702,479 0.955,480 0.673,481 1.102,482 0.671,483 0.977,484 1.055,485 0.905,486 1.031,487 0.972,488 1.097,489 0.98,490 1.299,491 1.213,492 1.112,493 1.123,494 1.306,495 1.025,496 0.802,497 0.792,498 0.979,499 0.884,500 0.867,501 0.993,502 0.913,503 0.856,504 1.047,505 1.017,506 0.963,507 1.086,508 0.906,509 1.058,510 1.029,511 1.082,512 0.92,513 1.127,514 7,515 0.167,516 4.444,517 3.431,518 2.004,519 1.859,520 0.72,521 0.501,522 0.413,523 0.215,524 8575,525 36713,526 2.022,527 28.2,529 9,532 2,536 1.714,537 1.816,538 3.284,539 0.318,541 1,545 72.611,546 1.862,547 4.073,548 4.644,549 5.042,550 5.042,551 5.042,552 2.771,553 4.423,554 4.777,555 3.443,556 1301.37,557 8.327,558 16230,560 1,562 1,563 206.131,564 1.728,565 4.691,566 0.226,567 0.01,568 0.093,569 0.067,570 0.04,571 0.04,572 0.019,573 0.016,574 0.016,575 0.01,576 0.538,577 0.5,578 1,579 1.115,580 137.626,581 -0.08,582 -0.016,583 -0.016,584 0.046,585 -0.109,586 0.063,587 0.299,588 0.325,589 0.164,590 0.208,591 0.308,592 0.132,593 -0.044,594 -0.159,595 0.041,596 -0.17,597 -0.011,598 -0.077,599 -0.144,600 0.025,601 -0.148,602 -0.039,603 -0.165,604 -0.078,605 -0.247,606 -0.173,607 -0.172,608 -0.161,609 -0.221,610 -0.119,611 0.159,612 0.038,613 0.049,614 0.079,615 0.129,616 0.019,617 -0.047,618 0.076,619 -0.068,620 -0.054,621 -0.087,622 -0.071,623 0.092,624 -0.13,625 0.051,626 -0.099,627 0.139,628 -0.082,629 5.895,630 5.806,631 0.643,632 23.801,633 1.06,634 1.137,635 2.852,636 8.132,637 0.698,638 3.466,639 3.892,640 4.22,641 4.554,642 4.812,643 4.997,644 5.209,645 5.352,646 5.447,647 5.545,648 5.927,649 0.723,650 388.32,651 3.466,652 5.069,653 5.964,654 6.901,655 7.819,656 8.76,657 9.687,658 10.629,659 11.561,660 12.504,661 5.1,669 1,670 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,690 1,696 1,699 39,700 19,701 2,702 31,704 42,705 19,706 14,707 6,708 6,709 3,710 4,711 6,715 1,718 1,721 17,722 2,724 3,728 2,730 1,731 3,733 1,734 3,736 11,737 8,738 2,739 9,743 2,747 0.5,748 4,756 1,759 2,760 2,762 2,777 2,781 1,783 3,785 28,788 1,791 1,795 1,800 3,801 10.3,803 1,804 2,806 1,808 15.417,809 7.579,810 5.917,811 2.132,812 3.863,813 1.485,814 1.002,815 4.055,816 11.835,817 3.761,818 4.451,819 5.142,820 5.812,821 6.396,822 6.84,823 7.347,824 7.787,825 8.125,826 8.524,827 0.857,828 51,829 11.012,831 5.597,832 8.592,833 18.334,835 15.396,837 3.092,838 86.583,842 105.94,843 110.798,844 33.571,846 103.973,847 44.88,849 110.798,850 209.913,851 78.451,852 10.883,854 56.857,855 108.055,856 107.523,857 2.144,858 105.94,859 7.76,860 105.94,861 144.369,862 148.853,865 105.94,866 148.853,869 41.331,870 103.038,873 150.82,874 137.544,875 110.798,878 113.699,879 35.298,880 67.741,881 16.786,882 165.639,883 105.94,884 182.424,885 110.798,887 0.608,888 0.365,889 0.196,890 0.108,891 26,892 13,893 0.071,894 3,895 2,896 1.222,897 3.695,898 264.235,899 0.222,900 18,901 129.851,904 18.268,905 6.215,906 2.812,907 -0.329,908 165.639,909 7.56,911 2.294,914 -1.217,916 59.469,917 399.162,918 42,922 24.474,924 4.158,925 -1.469,926 41.353,927 44.345,928 0.352,929 0.771,930 0.879,931 0.954,932 0.954,933 0.954,934 5.056,935 1.541,936 6.033,937 5.168,938 4.575,939 5.139,940 3.302,941 6.976,942 4.489,943 6.337,944 1.38,945 7.687,946 4.783,947 4.511,948 5.207,949 3.903,950 8.238,951 4.322,952 7.707,953 1.344,954 9.445,955 3.514,956 6.344,957 7.467,958 5.489,959 11.339,960 6.173,961 9.114,962 0.834,963 11.263,964 3.317,965 7.048,966 8.326,967 6.69,968 13.368,969 6.785,970 10.552,971 0.586,972 13.117,973 2.201,974 8.449,975 10.123,976 8.072,977 16.058,978 8.183,979 12.012,980 0.208,981 14.997,982 1.606,983 9.458,984 11.342,985 9.388,986 18.378,987 9.121,988 13.49,989 -0.173,990 16.894,991 0.29,992 10.721,993 12.965,994 10.737,995 20.943,996 10.363,997 3.467,998 -0.456,999 18.805,1000 -0.432,1001 11.85,1002 14.351,1003 12.074,1004 23.377,1005 11.437,1006 3.27,1007 12.73,1008 20.727,1009 -1.128,1010 13.072,1011 15.91,1012 13.417,1013 25.905,1014 12.627,1015 2.983,1016 11.712,1017 22.658,1018 4.721,1019 14.249,1020 17.373,1021 14.758,1022 28.386,1023 13.759,1024 2.679,1025 10.253,1026 24.595,1027 4.199,1028 15.461,1029 18.911,1030 16.1,1031 30.905,1032 14.936,1033 2.227,1034 8.49,1035 26.538,1036 3.68,1037 16.661,1038 20.411,1039 17.441,1040 33.408,1041 16.093,1042 1.94,1043 7.606,1044 28.487,1045 3.396,1046 17.873,1047 21.944,1048 18.783,1049 35.927,1050 17.27,1051 1.742,1052 5.855,1053 30.439,1054 2.854,1055 19.083,1056 23.464,1057 20.124,1058 38.442,1059 18.441,1060 8395,1061 17489,1062 19.709,1063 27.21,1064 49.474,1065 50.404,1066 51.685,1067 48.607,1068 48.401,1069 64.237,1070 12.199,1071 155.051,1072 46.128,1073 5.663,1074 6.471,1075 6.865,1076 5.451,1077 5.467,1078 7.721,1079 5.5,1080 20.717,1081 5.339,1082 17.853,1083 1.596,1084 1.626,1085 1.667,1086 1.568,1087 1.561,1088 2.072,1089 0.394,1090 5.002,1091 1.488,1092 4.168,1093 4.191,1094 4.148,1095 4.08,1096 8.513,1097 4.093,1098 3.976,1099 3.994,1100 3.949,1101 3.9,1102 7.999,1103 3.908,1104 3.583,1105 3.598,1106 3.568,1107 3.423,1108 7.999,1109 3.447,1110 3.439,1111 3.462,1112 3.421,1113 3.193,1114 7.434,1115 3.234,1116 3.278,1117 3.329,1118 3.225,1119 3.025,1120 7.426,1121 3.063,1122 3.224,1123 3.273,1124 3.114,1125 2.973,1126 6.473,1127 2.998,1128 2.951,1129 2.998,1130 2.809,1131 2.777,1132 4.892,1133 2.77,1134 2.766,1135 2.813,1136 2.676,1137 2.506,1138 4.745,1139 2.545,1140 0.155,1141 0.144,1142 0.236,1143 0.142,1144 0.112,1145 4.813,1146 0.152,1147 4.471,1148 0.123,1149 7.322,1150 0.411,1151 4.41,1152 0.108,1153 3.467,1154 4.721,1155 3.825,1156 12.73,1157 3.339,1158 1.95,1159 1.932,1160 2.016,1161 2.036,1162 1.184,1163 2.028,1164 1.888,1165 1.875,1166 1.965,1167 1.971,1168 1.091,1169 1.967,1170 1.586,1171 1.564,1172 1.627,1173 1.776,1174 0.73,1175 1.733,1176 1.274,1177 1.248,1178 1.592,1179 1.598,1180 0.581,1181 1.584,1182 1.197,1183 1.161,1184 1.325,1185 1.451,1186 0.344,1187 1.406,1188 1.032,1189 0.991,1190 1.152,1191 1.416,1192 0.238,1193 1.306,1194 0.978,1195 0.936,1196 1.105,1197 1.198,1198 0.156,1199 1.169,1200 0.934,1201 0.887,1202 1.087,1203 1.108,1204 0.138,1205 1.116,1206 4.143,1208 5.541,1209 3.045,1210 7.127,1211 5.533,1212 8.797,1213 7.735,1214 10.514,1216 1.196,1218 39.716,1221 10.233,1224 4.613,1228 -4.645,1231 28.213,1232 72.611,1233 158.846,1234 181.111,1235 196.621,1236 196.621,1237 196.621,1238 80.437,1239 7.972,1240 92.28,1241 92.28,1242 22,1243 13,1244 4.322,1245 3.585,1246 42.308,1247 99,1248 112,1249 0.217,1250 167.346,1251 304.09,1252 400.083,1253 29920,1254 7.7,1255 20.215,1256 0.722,1257 0.508,1258 17.715,1259 14.217,1260 13.219,1261 0.426,1262 0.258,1263 7.798,1264 12.453,1265 7.695,1266 6.287,1267 12.007,1268 7.99,1269 13.163,1270 0.274,1271 0.127,1272 11.168,1273 6.088,1274 10.984,1275 0.164,1276 0.067,1277 10.231,1278 4.466,1279 9.418,1280 0.1,1281 0.034,1282 8.637,1283 3.208,1284 7.746,1285 0.063,1286 0.018,1287 7.144,1288 2.148,1289 0.33,1290 85.225,1291 0.225,1292 26.046,1293 0.624,1294 158,1295 731.668,1296 188.646,1297 616.127,1298 802.11,1299 568,1300 194,1301 560.919,1302 218.331,1303 547.985,1304 834.12,1305 513,1306 5} {0 CHEMBL2321971,1 1.835,2 9.308,3 4.099,4 16.801,5 86.492,6 10.45,7 0.552,8 3.709,9 3.779,10 3.525,11 3.321,12 5.118,13 3.372,14 4.214,15 4.297,16 4.032,17 3.728,18 6.083,19 3.782,20 4.391,21 4.503,22 4.057,23 3.812,24 5.91,25 3.863,26 4.505,27 4.646,28 4.1,29 3.764,30 6.132,31 3.838,32 4.448,33 4.578,34 4.035,35 3.59,36 6.211,37 3.718,38 4.244,39 4.369,40 3.777,41 3.435,42 6.151,43 3.505,44 4.099,45 4.249,46 3.595,47 3.327,48 5.72,49 3.378,50 3.995,51 4.152,52 3.507,53 3.145,54 5.931,55 3.197,56 0.286,57 0.715,58 2.12,59 2.718,60 55.615,61 1.961,62 0.863,63 1.526,64 4.411,65 4.717,66 157.614,67 3.537,68 0.655,69 1.304,70 6.669,71 5.702,72 112.099,73 4.908,74 0.958,75 1.547,76 9.895,77 6.184,78 157.354,79 4.907,80 1.099,81 1.439,82 10.88,83 6.085,84 201.392,85 4.122,86 1.054,87 1.014,88 9.136,89 5.044,90 206.43,91 3.716,92 0.725,93 1.015,94 7.737,95 4.356,96 116.245,97 3.46,98 0.799,99 0.892,100 8.186,101 4.365,102 161.96,103 4.199,104 41,105 45,106 0.327,107 0.708,108 0.8,109 0.881,110 0.881,111 0.881,112 3.306,113 0.765,114 -3.82,115 -3.78,116 -3.59,119 52.9,127 1,133 6,134 5,135 1,143 1,144 1,146 2,147 1,159 9,162 5,165 1,166 4,168 9,171 1,172 7,176 3,178 7,182 7,185 2,187 3,190 4,194 4,197 2,199 4,202 5,205 2,206 3,211 4,213 6,217 2,222 4,224 7,229 1,237 6,242 1,245 2,250 2,255 924,256 17.066,257 17.066,258 17.066,259 17.066,260 17.066,261 14.913,262 17.984,263 9.487,264 17.443,265 14.233,266 14.233,267 14.233,268 14.233,269 14.233,270 10.673,271 20.79,272 4.397,273 14.938,274 3.252,275 1.111,276 0.596,277 0.14,278 0.14,279 0.14,280 3.993,283 1,284 1,285 522,286 3.464,288 93.679,289 124.728,291 183.493,295 1.432,296 58.94,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 60,307 242,308 4.812,309 4.471,310 7.322,311 4.41,312 3.467,313 4.721,314 3.825,315 12.73,316 3.338,317 4.551,318 4.059,319 6.989,320 4.208,321 3.266,322 4.189,323 2.035,324 11.709,325 3.097,326 4.264,327 3.751,328 6.542,329 3.906,330 2.963,331 3.659,332 0.6,333 10.218,334 2.737,335 3.919,336 3.212,337 5.842,338 3.41,339 2.428,340 3.261,342 7.841,343 2.373,344 3.561,345 2.676,346 5.336,347 3.101,348 2.151,349 2.801,351 6.615,352 2.015,353 3.339,354 2.491,355 5.15,356 2.881,357 1.904,358 2.577,360 5.781,361 1.846,362 3.178,363 2.296,364 4.895,365 2.697,366 1.741,367 2.387,369 5.162,370 1.646,371 3.019,372 2.031,373 4.761,374 2.436,375 1.481,376 2.073,378 4.696,379 1.392,380 2.866,381 1.726,382 4.178,383 2.344,384 1.366,385 1.981,386 3.365,387 1.33,388 2.831,389 1.421,390 3.683,391 1.864,392 0.847,393 1.284,394 2.202,395 0.854,396 2.408,397 1.308,398 3.439,399 1.627,400 0.677,401 1.07,402 1.715,403 0.64,404 2.082,405 0.825,406 2.969,407 1.368,408 0.415,409 0.738,411 0.713,412 0.393,413 1.262,414 0.51,415 2.802,416 0.777,417 -0.179,418 -0.235,420 -0.422,421 -0.168,422 1.013,423 0.51,424 2.573,425 0.52,426 -0.462,427 -0.683,429 -1.076,430 -0.451,431 0.691,432 0.433,433 2.421,434 0.23,435 -0.751,436 -1,438 -1.933,439 -0.7,440 11.724,441 0.451,442 0.95,443 0.037,444 38,445 1.462,446 21,447 0.808,448 17,449 0.654,450 17.591,451 0.677,452 26.676,453 0.785,454 31.507,455 1.212,456 7.593,457 0.292,458 4.715,459 0.181,460 0.164,461 0.043,462 0.426,463 3,466 0.644,467 0.775,468 0.546,469 0.757,470 0.644,471 0.662,472 0.413,473 0.673,474 0.523,475 0.848,476 0.417,477 0.831,478 0.678,479 0.886,480 0.733,481 1.061,482 0.644,483 1.016,484 0.948,485 0.897,486 1.009,487 1.01,488 1.003,489 1.032,490 1.438,491 1.187,492 1.191,493 1.058,494 1.393,495 0.957,496 1.022,497 0.824,498 1.198,499 0.887,500 1.02,501 1.045,502 1.073,503 0.82,504 1.234,505 0.966,506 1.073,507 1.105,508 0.788,509 1.117,510 0.928,511 1.126,512 0.78,513 1.166,514 6.5,515 0.13,516 3.778,517 3.306,518 1.964,519 1.682,520 0.584,521 0.46,522 0.345,523 0.15,524 6965,525 29926,526 2.046,527 23.5,529 6,532 2,536 1.695,537 1.846,538 3.174,539 0.327,541 1,545 62.405,546 1.835,547 3.976,548 4.491,549 4.948,550 4.948,551 4.948,552 2.676,553 4.21,554 4.671,555 3.312,556 1076.25,557 8.12,558 12619.2,560 1,561 1,562 1,563 172.974,564 1.729,565 4.59,566 0.224,567 0.013,568 0.084,569 0.07,570 0.043,571 0.04,572 0.018,573 0.017,574 0.015,575 0.009,576 0.534,577 0.5,578 1,579 0.954,580 123.856,581 -0.074,582 0.012,583 -0.037,584 0.104,585 -0.092,586 0.096,587 0.368,588 0.295,589 0.102,590 0.061,591 0.326,592 -0.052,593 -0.028,594 -0.151,595 0.044,596 -0.163,597 -0.007,598 -0.086,599 -0.061,600 0.014,601 -0.073,602 -0.079,603 -0.124,604 -0.083,605 -0.285,606 -0.161,607 -0.167,608 -0.076,609 -0.255,610 -0.022,611 0.029,612 0.045,613 -0.176,614 0.091,615 0.048,616 -0.068,617 -0.095,618 0.12,619 -0.194,620 0.02,621 -0.15,622 -0.08,623 0.259,624 -0.173,625 0.285,626 -0.073,627 0.269,628 0.005,629 5.875,630 5.654,631 0.692,632 19.615,633 1.06,634 1.135,635 2.586,636 6.689,637 0.729,638 3.401,639 3.829,640 4.159,641 4.511,642 4.771,643 4.934,644 5.136,645 5.273,646 5.342,647 5.421,648 5.463,649 0.757,650 355.29,651 3.401,652 5.004,653 5.9,654 6.841,655 7.76,656 8.703,657 9.632,658 10.576,659 11.509,660 12.454,661 8.8,669 1,670 2,674 2,675 6,677 1,680 6,682 16,683 1,684 1,686 1,696 1,699 34,700 19,701 2,702 29,704 37,705 18,706 14,707 6,708 6,709 2,710 4,711 6,715 1,718 1,720 1,721 16,722 1,724 2,728 1,730 1,731 2,733 1,734 3,736 8,737 7,738 2,739 8,743 3,747 0.5,748 2,756 1,759 2,760 2,762 2,777 2,783 3,785 26,788 1,795 1,796 1,798 1,799 1,800 3,801 5.9,803 1,804 1,808 14.083,809 6.445,810 5.472,811 1.932,812 3.961,813 1.508,814 1.026,815 3.356,816 11.763,817 3.738,818 4.416,819 5.125,820 5.803,821 6.389,822 6.831,823 7.332,824 7.77,825 8.109,826 8.501,827 1,828 47,829 10.212,831 5.244,832 8.612,833 16.98,835 14.459,837 3.112,838 80.917,842 70.627,843 109.325,844 64.63,846 67.828,847 44.88,849 109.325,850 138.455,851 109.511,854 56.857,855 92.32,856 127.583,857 2.144,858 70.627,859 7.76,860 70.627,861 173.956,862 112.709,865 70.627,866 112.709,869 72.39,870 101.566,873 115.507,874 132.459,875 109.325,878 78.386,879 28.106,880 56.857,881 33.387,882 160.553,883 70.627,884 177.339,885 109.325,887 0.607,888 0.364,889 0.202,890 0.114,891 25,892 12,893 0.027,894 1,895 2,896 1.222,897 3.55,898 240.556,899 0.222,900 18,901 117.457,904 16.234,905 5.374,906 2.383,907 -0.283,908 160.553,909 7.773,911 2.299,914 -0.893,916 59.469,917 357.291,918 41,922 12.654,924 4.15,925 -0.733,926 36.033,927 38.594,928 0.361,929 0.782,930 0.883,931 0.973,932 0.973,933 0.973,934 5.037,935 1.481,936 5.969,937 5.162,938 4.511,939 5.103,940 3.396,941 6.915,942 4.426,943 6.324,944 1.366,945 7.621,946 4.696,947 4.443,948 5.139,949 3.903,950 8.184,951 4.243,952 7.693,953 0.847,954 9.379,955 3.365,956 6.282,957 7.441,958 5.563,959 11.288,960 6.109,961 9.097,962 0.677,963 11.198,964 2.202,965 6.986,966 8.281,967 6.69,968 13.328,969 6.709,970 10.532,971 0.415,972 13.055,973 1.715,974 8.392,975 10.099,976 8.102,977 16.024,978 8.117,979 11.99,980 -0.179,981 14.938,982 0.713,983 9.404,984 11.311,985 9.388,986 18.352,987 9.052,988 13.466,989 -0.462,990 16.839,991 -0.422,992 10.672,993 12.944,994 10.747,995 20.922,996 10.3,997 3.467,998 -0.751,999 18.754,1000 -1.076,1001 11.806,1002 14.329,1003 12.074,1004 23.362,1005 11.376,1006 3.266,1007 12.73,1008 20.681,1009 -1.933,1010 13.032,1011 15.892,1012 13.42,1013 25.893,1014 12.572,1015 2.963,1016 11.709,1017 22.616,1018 4.721,1019 14.214,1020 17.357,1021 14.758,1022 28.377,1023 13.707,1024 2.428,1025 10.218,1026 24.558,1027 4.189,1028 15.43,1029 18.897,1030 16.101,1031 30.898,1032 14.888,1033 2.151,1034 7.841,1035 26.505,1036 3.659,1037 16.633,1038 20.399,1039 17.441,1040 33.403,1041 16.05,1042 1.904,1043 6.615,1044 28.457,1045 3.261,1046 17.848,1047 21.933,1048 18.783,1049 35.923,1050 17.229,1051 1.741,1052 5.781,1053 30.413,1054 2.801,1055 19.061,1056 23.454,1057 20.124,1058 38.438,1059 18.403,1060 6781,1061 14169,1062 18.611,1063 24.784,1064 47.73,1065 48.553,1066 47.996,1067 45.664,1068 45.412,1069 61.481,1070 12.92,1071 145.495,1072 43.323,1073 5.659,1074 6.471,1075 6.869,1076 5.45,1077 5.467,1078 7.721,1079 5.86,1080 20.717,1081 5.338,1082 15.559,1083 1.646,1084 1.674,1085 1.655,1086 1.575,1087 1.566,1088 2.12,1089 0.446,1090 5.017,1091 1.494,1092 4.167,1093 4.191,1094 4.147,1095 4.079,1096 8.513,1097 4.092,1098 3.971,1099 3.992,1100 3.944,1101 3.9,1102 7.999,1103 3.906,1104 3.557,1105 3.586,1106 3.549,1107 3.421,1108 7.999,1109 3.44,1110 3.375,1111 3.409,1112 3.374,1113 3.176,1114 7.428,1115 3.21,1116 3.277,1117 3.329,1118 3.219,1119 3.023,1120 6.82,1121 3.063,1122 3.042,1123 3.085,1124 2.988,1125 2.881,1126 6.473,1127 2.897,1128 2.79,1129 2.851,1130 2.734,1131 2.575,1132 4.889,1133 2.607,1134 2.64,1135 2.706,1136 2.548,1137 2.403,1138 4.735,1139 2.436,1140 0.166,1141 0.154,1142 0.252,1143 0.152,1144 0.12,1145 4.812,1146 0.163,1147 4.471,1148 0.132,1149 7.322,1150 0.439,1151 4.41,1152 0.115,1153 3.467,1154 4.721,1155 3.825,1156 12.73,1157 3.338,1158 1.95,1159 1.932,1160 2.016,1161 2.036,1162 1.184,1163 2.028,1164 1.889,1165 1.87,1166 1.963,1167 1.957,1168 1.071,1169 1.96,1170 1.586,1171 1.564,1172 1.626,1173 1.776,1174 0.73,1175 1.733,1176 1.198,1177 1.167,1178 1.326,1179 1.451,1180 0.344,1181 1.406,1182 1.118,1183 1.084,1184 1.159,1185 1.416,1186 0.238,1187 1.306,1188 1.032,1189 0.991,1190 1.14,1191 1.292,1192 0.138,1193 1.248,1194 0.947,1195 0.909,1196 1.102,1197 1.111,1198 0.088,1199 1.118,1200 0.688,1201 0.634,1202 0.88,1203 0.913,1205 0.915,1206 4.078,1208 5.476,1209 3.045,1210 7.064,1211 5.533,1212 8.737,1213 7.735,1214 10.458,1218 39.545,1221 10.174,1228 -4.625,1229 8.947,1230 1.908,1231 25.751,1232 62.405,1233 135.199,1234 152.709,1235 168.219,1236 168.219,1237 168.219,1238 70.013,1239 7.801,1240 89.77,1241 89.77,1242 22,1243 12.948,1244 4.322,1245 3.7,1246 37.862,1247 84,1248 98,1249 0.227,1250 153.628,1251 277.57,1252 366.611,1253 24163,1254 8.8,1255 18.637,1256 0.717,1257 0.494,1258 16.137,1259 12.848,1260 12.308,1261 0.424,1262 0.255,1263 7.253,1264 11.719,1265 7.188,1266 5.851,1267 11.097,1268 7.398,1269 12.291,1270 0.273,1271 0.127,1272 10.296,1273 5.708,1274 10.181,1275 0.162,1276 0.066,1277 9.427,1278 4.174,1279 8.996,1280 0.1,1281 0.034,1282 8.214,1283 3.033,1284 7.49,1285 0.064,1286 0.017,1287 6.888,1288 2.043,1289 0.343,1290 78.422,1291 0.232,1292 24.325,1293 0.667,1294 148,1295 663.842,1296 174.137,1297 565.753,1298 738.15,1299 520,1300 182,1301 520.146,1302 202.346,1303 509.675,1304 774.44,1305 479,1306 5} {0 CHEMBL2321972,1 1.936,2 10.172,3 3.689,4 13.612,5 96.507,6 10.482,7 0.636,8 3.852,9 3.944,10 3.671,11 3.392,12 5.232,13 3.46,14 4.348,15 4.448,16 4.162,17 3.81,18 6.165,19 3.877,20 4.47,21 4.588,22 4.138,23 3.879,24 5.935,25 3.934,26 4.61,27 4.756,28 4.214,29 3.866,30 6.175,31 3.944,32 4.602,33 4.747,34 4.162,35 3.736,36 6.261,37 3.855,38 4.433,39 4.575,40 3.967,41 3.593,42 6.209,43 3.67,44 4.28,45 4.434,46 3.827,47 3.465,48 5.915,49 3.538,50 4.131,51 4.289,52 3.646,53 3.277,54 5.959,55 3.337,56 0.356,57 0.879,58 2.605,59 2.957,60 48.918,61 2.117,62 0.958,63 1.73,64 5.165,65 5.081,66 149.667,67 3.786,68 0.751,69 1.479,70 7.069,71 6.093,72 97.117,73 5.244,74 1.073,75 1.7,76 10.589,77 6.536,78 128.572,79 5.23,80 1.265,81 1.623,82 12.381,83 6.538,84 180.707,85 4.479,86 1.219,87 1.174,88 11.381,89 5.64,90 189.931,91 4.514,92 0.874,93 1.142,94 9.054,95 4.795,96 111.627,97 4.033,98 0.906,99 1.003,100 8.989,101 4.657,102 160.854,103 4.378,104 27,105 51,106 0.336,107 0.716,108 0.817,109 0.888,110 0.888,111 0.888,112 3.409,113 0.752,114 -4.32,115 -4.26,116 -4.02,119 47.4,127 1,133 6,134 5,135 1,140 1,143 1,144 1,146 2,155 1,157 2,159 9,161 2,162 6,164 1,165 1,166 4,168 9,171 1,172 10,176 4,178 7,182 11,185 2,187 5,190 4,194 6,197 2,199 6,202 5,205 4,206 3,211 4,213 6,216 2,217 3,220 2,222 4,224 7,229 3,234 1,237 6,242 3,245 4,247 1,250 2,255 1244,256 19.264,257 19.264,258 19.264,259 19.264,260 19.264,261 16.645,262 14.659,263 10.844,264 19.701,265 16.294,266 16.294,267 16.294,268 16.294,269 16.294,270 12.167,271 18.446,272 5.13,273 17.091,274 3.312,275 1.119,276 0.533,277 0.125,278 0.125,279 0.125,280 4.112,284 1,285 655,286 3.391,288 180.608,289 140.892,291 209.105,295 1.65,296 58.985,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 67.5,307 295,308 4.813,309 4.471,310 7.322,311 4.41,312 3.467,313 4.721,314 3.825,315 12.73,316 3.339,317 4.558,318 3.755,319 6.989,320 4.214,321 3.271,322 4.214,323 0.6,324 11.713,325 3.106,326 4.291,327 3.214,328 6.554,329 3.937,330 2.993,331 3.77,333 10.273,334 2.789,335 4.112,336 2.87,337 6.124,338 3.718,339 2.756,340 3.563,342 8.967,343 2.623,344 3.624,345 2.58,346 5.808,347 3.198,348 2.248,349 2.968,351 7.681,352 2.114,353 3.383,354 2.44,355 5.249,356 2.932,357 1.966,358 2.701,360 5.877,361 1.876,362 3.187,363 2.125,364 4.895,365 2.744,366 1.76,367 2.455,369 5.174,370 1.727,371 3.175,372 1.819,373 4.783,374 2.69,375 1.734,376 2.381,378 4.902,379 1.641,380 2.937,381 1.671,382 4.465,383 2.43,384 1.471,385 2.055,386 4.358,387 1.388,388 2.834,389 1.421,390 4.174,391 2.343,392 1.365,393 1.98,394 3.362,395 1.329,396 2.432,397 1.308,398 3.683,399 1.906,400 0.918,401 1.336,402 2.202,403 0.903,404 2.331,405 0.935,406 3.441,407 1.816,408 0.815,409 1.196,411 2.128,412 0.809,413 2.118,414 0.755,415 3.296,416 1.591,417 0.618,418 0.927,420 1.537,421 0.6,422 2.071,423 0.618,424 3,425 1.507,426 0.551,427 0.814,429 1.372,430 0.523,431 1.225,432 0.51,433 2.917,434 0.819,435 -0.151,436 -0.192,438 -0.394,439 -0.143,440 12.924,441 0.446,442 1.002,443 0.035,444 41.25,445 1.422,446 22,447 0.759,448 19.25,449 0.664,450 20.726,451 0.715,452 30.276,453 0.797,454 35.015,455 1.207,456 8.407,457 0.29,458 5.436,459 0.187,460 0.118,461 0.039,462 0.426,463 3,466 0.641,467 0.752,468 0.546,469 0.742,470 0.651,471 0.648,472 0.442,473 0.691,474 0.542,475 0.848,476 0.426,477 0.818,478 0.709,479 0.943,480 0.739,481 1.125,482 0.665,483 1.05,484 0.968,485 0.956,486 0.993,487 1.061,488 0.978,489 1.052,490 1.4,491 1.183,492 1.212,493 1.093,494 1.367,495 1.019,496 0.971,497 0.837,498 1.114,499 0.911,500 1.019,501 1.037,502 1.009,503 0.821,504 1.105,505 0.987,506 1.109,507 1.08,508 0.85,509 1.145,510 0.96,511 1.161,512 0.844,513 1.184,514 6.5,515 0.154,516 4.222,517 3.208,518 1.934,519 1.775,520 0.69,521 0.501,522 0.381,523 0.185,524 10376,525 42616,526 2.12,527 23.7,529 6,532 3,536 1.722,537 1.944,538 3.315,539 1.028,541 1,545 73.569,546 1.936,547 4.129,548 4.715,549 5.123,550 5.123,551 5.123,552 2.767,553 4.487,554 4.829,555 3.492,556 1417.83,557 8.424,558 18188.1,560 1,562 1,563 199.421,564 1.662,565 4.767,566 0.197,567 0.008,568 0.083,569 0.063,570 0.037,571 0.037,572 0.018,573 0.015,574 0.014,575 0.008,576 0.479,577 0.33,578 0.88,579 0.772,580 144.508,581 -0.051,582 0.112,583 -0.027,584 0.155,585 -0.112,586 0.12,587 0.34,588 0.321,589 0.082,590 0.097,591 0.336,592 -0.021,593 -0.034,594 -0.145,595 0.031,596 -0.161,597 -0.006,598 -0.086,599 -0.083,600 -0.029,601 -0.083,602 -0.097,603 -0.094,604 -0.091,605 -0.304,606 -0.193,607 -0.203,608 -0.104,609 -0.23,610 -0.056,611 0.039,612 0.005,613 -0.083,614 0.072,615 0.04,616 -0.026,617 -0.026,618 0.096,619 -0.092,620 -0.004,621 -0.109,622 -0.074,623 0.195,624 -0.213,625 0.205,626 -0.099,627 0.256,628 -0.03,629 5.877,630 5.952,631 0.793,632 25.472,633 1.065,634 1.149,635 3.09,636 9.551,637 0.712,638 3.526,639 3.951,640 4.29,641 4.644,642 4.875,643 5.069,644 5.293,645 5.464,646 5.587,647 5.71,648 6.13,649 0.744,650 398.33,651 3.526,652 5.13,653 6.028,654 6.965,655 7.883,656 8.823,657 9.749,658 10.69,659 11.621,660 12.563,661 15.8,669 2,670 1,671 3,674 2,675 6,676 3,677 2,680 7,682 21,684 1,686 1,696 1,699 38,700 23,701 2,702 33,704 42,705 18,706 15,707 6,708 6,709 2,710 5,711 7,715 1,718 1,721 17,722 1,724 2,728 1,730 1,731 2,733 1,734 3,736 9,737 9,738 3,739 11,743 6,747 0.6,748 2,756 1,759 3,760 2,762 2,777 3,783 3,785 29,788 1,795 1,800 3,801 5.3,803 1,804 1,808 14.917,809 7.095,810 6,811 2.122,812 4.415,813 1.532,814 1.053,815 3.64,816 12.718,817 3.839,818 4.543,819 5.244,820 5.932,821 6.47,822 6.934,823 7.462,824 7.938,825 8.313,826 8.733,827 0.857,828 51,829 11.308,831 5.751,832 8.451,833 19.079,835 16.269,837 2.951,838 85.583,842 70.627,843 95.051,844 99.978,846 67.828,847 44.88,849 95.051,850 138.455,851 144.858,854 56.857,855 125.585,856 115.392,857 2.144,858 70.627,859 7.76,860 70.627,861 195.029,862 112.709,865 72.955,866 112.709,869 57.871,870 84.964,871 49.867,873 115.507,874 167.806,875 95.051,878 78.386,879 30.434,880 56.857,881 33.326,882 179.361,883 70.627,884 212.687,885 95.051,887 0.608,888 0.362,889 0.204,890 0.107,891 29,892 13,893 0.048,894 2,895 2,896 1.174,897 3.9,898 283.67,899 0.174,900 23,901 134.127,904 17.595,905 6,906 2.645,907 -0.262,908 179.361,909 8.223,910 11.135,911 4.66,914 -0.229,916 76.009,917 378.365,918 45.5,922 12.952,924 4.242,925 -0.674,926 40.454,927 43.673,928 0.369,929 0.787,930 0.898,931 0.976,932 0.976,933 0.976,934 5.125,935 1.734,936 6.084,937 5.174,938 4.635,939 5.231,940 3.071,941 7.02,942 4.55,943 6.4,944 1.471,945 7.727,946 4.902,947 4.511,948 5.215,949 3.903,950 8.257,951 4.31,952 7.762,953 1.365,954 9.477,955 4.358,956 6.389,957 7.555,958 5.421,959 11.367,960 6.214,961 9.163,962 0.918,963 11.289,964 3.362,965 7.066,966 8.369,967 6.69,968 13.39,969 6.79,970 10.597,971 0.815,972 13.14,973 2.202,974 8.482,975 10.195,976 8.058,977 16.08,978 8.208,979 12.054,980 0.618,981 15.017,982 2.128,983 9.479,984 11.391,985 9.388,986 18.395,987 9.129,988 13.53,989 0.551,990 16.913,991 1.537,992 10.746,993 13.022,994 10.734,995 20.958,996 10.378,997 3.467,998 -0.151,999 18.823,1000 1.372,1001 11.87,1002 14.395,1003 12.074,1004 23.389,1005 11.444,1006 3.271,1007 12.73,1008 20.744,1009 -0.394,1010 13.092,1011 15.954,1012 13.416,1013 25.915,1014 12.637,1015 2.993,1016 11.713,1017 22.673,1018 4.721,1019 14.267,1020 17.41,1021 14.758,1022 28.395,1023 13.765,1024 2.756,1025 10.273,1026 24.61,1027 4.214,1028 15.478,1029 18.945,1030 16.1,1031 30.912,1032 14.943,1033 2.248,1034 8.967,1035 26.552,1036 3.77,1037 16.675,1038 20.441,1039 17.441,1040 33.414,1041 16.099,1042 1.966,1043 7.681,1044 28.499,1045 3.563,1046 17.887,1047 21.97,1048 18.783,1049 35.932,1050 17.275,1051 1.76,1052 5.877,1053 30.45,1054 2.968,1055 19.095,1056 23.487,1057 20.124,1058 38.445,1059 18.445,1060 9690,1061 19796,1062 21.789,1063 27.04,1064 53.127,1065 52.53,1066 53.203,1067 52.146,1068 51.865,1069 70.162,1070 8.851,1071 164.553,1072 49.539,1073 5.662,1074 6.471,1075 6.918,1076 5.455,1077 5.467,1078 7.721,1079 5.335,1080 20.717,1081 5.339,1082 15.212,1083 1.61,1084 1.592,1085 1.612,1086 1.58,1087 1.572,1088 2.126,1089 0.268,1090 4.986,1091 1.501,1092 4.169,1093 4.194,1094 4.15,1095 4.081,1096 8.513,1097 4.094,1098 3.995,1099 4.031,1100 3.969,1101 3.907,1102 7.999,1103 3.916,1104 3.739,1105 3.82,1106 3.724,1107 3.467,1108 7.999,1109 3.513,1110 3.511,1111 3.549,1112 3.503,1113 3.289,1114 7.428,1115 3.333,1116 3.28,1117 3.329,1118 3.254,1119 3.046,1120 6.473,1121 3.079,1122 3.263,1123 3.302,1124 3.195,1125 3.012,1126 5.268,1127 3.059,1128 2.888,1129 2.942,1130 2.805,1131 2.726,1132 4.886,1133 2.736,1134 2.695,1135 2.757,1136 2.626,1137 2.427,1138 4.732,1139 2.477,1140 0.146,1141 0.135,1142 0.222,1143 0.134,1144 0.105,1145 4.813,1146 0.143,1147 4.471,1148 0.116,1149 7.322,1150 0.386,1151 4.41,1152 0.101,1153 3.467,1154 4.721,1155 3.825,1156 12.73,1157 3.339,1158 1.95,1159 1.932,1160 2.016,1161 2.036,1162 1.184,1163 2.028,1164 1.89,1165 1.871,1166 1.964,1167 1.963,1168 1.1,1169 1.964,1170 1.586,1171 1.564,1172 1.626,1173 1.776,1174 0.73,1175 1.733,1176 1.199,1177 1.171,1178 1.326,1179 1.621,1180 0.344,1181 1.528,1182 1.183,1183 1.125,1184 1.274,1185 1.451,1186 0.259,1187 1.406,1188 1.052,1189 0.991,1190 1.155,1191 1.416,1192 0.238,1193 1.312,1194 1.032,1195 0.922,1196 1.137,1197 1.375,1198 0.138,1199 1.306,1200 0.948,1201 0.906,1202 1.103,1203 1.113,1205 1.119,1206 4.205,1208 5.602,1209 3.434,1210 7.182,1211 5.82,1212 8.847,1213 7.947,1214 10.56,1218 39.865,1221 10.298,1228 -4.627,1231 28.288,1232 73.569,1233 156.892,1234 179.157,1235 194.666,1236 194.666,1237 194.666,1238 68.015,1239 8.303,1240 120.44,1241 120.44,1242 27,1243 13.059,1244 4.585,1245 3.755,1246 39.535,1247 106,1248 105,1249 0.186,1250 166.617,1251 287.31,1252 398.306,1253 46234,1254 7.9,1255 20.336,1256 0.701,1257 0.491,1258 17.836,1259 14.242,1260 13.842,1261 0.419,1262 0.251,1263 8.074,1264 13.026,1265 8.033,1266 6.543,1267 12.631,1268 8.268,1269 13.822,1270 0.271,1271 0.124,1272 11.827,1273 6.331,1274 11.602,1275 0.161,1276 0.065,1277 10.848,1278 4.648,1279 10.425,1280 0.101,1281 0.033,1282 9.644,1283 3.387,1284 8.261,1285 0.064,1286 0.017,1287 7.658,1288 2.24,1289 0.285,1290 89.184,1291 0.214,1292 26.97,1293 0.531,1294 168,1295 739.465,1296 199.826,1297 634.531,1298 842.4,1299 586,1300 207,1301 616.031,1302 233.674,1303 600.138,1304 906.97,1305 564,1306 5} {0 CHEMBL2321973,1 1.726,2 9.308,3 4.087,4 16.707,5 98.827,6 10.596,7 0.552,8 3.81,9 3.882,10 3.67,11 3.43,12 5.072,13 3.434,14 4.304,15 4.415,16 4.131,17 3.843,18 5.576,19 3.84,20 4.463,21 4.561,22 4.34,23 3.973,24 5.839,25 3.966,26 4.608,27 4.725,28 4.365,29 4,30 5.975,31 3.969,32 4.536,33 4.658,34 4.196,35 3.864,36 5.99,37 3.84,38 4.495,39 4.665,40 4.039,41 3.749,42 5.944,43 3.707,44 4.287,45 4.452,46 3.966,47 3.619,48 5.563,49 3.553,50 4.092,51 4.263,52 3.59,53 3.41,54 5.269,55 3.315,56 0.128,57 0.504,58 2.848,59 3.249,60 11.703,61 3.165,62 0.407,63 0.841,64 9.379,65 5.55,66 30.629,67 5.565,68 0.323,69 0.961,70 13.772,71 6.813,72 27.928,73 6.711,74 0.615,75 1.085,76 17.459,77 8.239,78 76.372,79 6.988,80 0.593,81 0.991,82 30.694,83 8.322,84 65.536,85 7.55,86 0.704,87 0.971,88 21.829,89 7.649,90 92.111,91 8.137,92 0.422,93 0.782,94 14.863,95 6.459,96 52.854,97 6.467,98 0.318,99 0.648,100 9.411,101 5.199,102 41.372,103 5.309,104 39,105 44,106 0.301,107 0.684,108 0.811,109 0.88,110 0.88,111 0.88,112 3.306,113 0.884,114 -4.08,115 -4.03,116 -3.81,117 1,119 48.7,123 2,133 6,134 4,135 2,143 1,144 1,146 2,147 1,159 8,161 1,162 8,164 1,166 1,168 8,171 1,172 12,176 1,178 7,181 1,182 10,185 1,187 1,190 6,193 1,194 4,197 1,199 4,202 5,205 4,206 5,211 2,213 5,217 6,222 2,224 6,229 2,237 6,241 2,242 2,245 2,250 4,255 916,256 17.353,257 17.353,258 17.353,259 17.353,260 17.353,261 15.036,262 16.506,263 9.655,264 17.797,265 14.153,266 14.153,267 14.153,268 14.153,269 14.153,270 10.428,271 19.573,272 4.422,273 14.807,274 3.559,275 1.366,276 0.642,277 0.244,278 0.244,279 0.244,280 3.994,284 1,285 524,286 3.082,288 96.399,289 124.969,291 185.902,295 1.538,296 37.216,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 56.75,307 242,308 4.847,309 3.773,310 7.209,311 4.409,312 3.44,313 4.809,314 1.674,315 12.664,316 3.344,317 4.524,318 3.642,319 6.718,320 4.116,321 3.135,322 4.198,323 0.6,324 10.842,325 3.063,326 4.085,327 3.43,328 6.172,329 3.711,330 2.725,331 3.555,333 8.899,334 2.677,335 3.814,336 2.835,337 5.947,338 3.38,339 2.444,340 3.247,342 8.166,343 2.263,344 3.539,345 2.635,346 5.597,347 3.094,348 2.154,349 2.913,351 6.773,352 2.008,353 3.33,354 2.351,355 5.28,356 2.891,357 1.9,358 2.594,360 5.918,361 1.86,362 3.111,363 2.068,364 4.839,365 2.599,366 1.655,367 2.27,369 4.995,370 1.515,371 2.881,372 1.852,373 4.532,374 2.399,375 1.45,376 2.019,378 3.974,379 1.356,380 2.794,381 1.594,382 4.123,383 2.316,384 1.347,385 1.852,386 3.412,387 1.291,388 2.515,389 1.461,390 3.762,391 2.028,392 1.075,393 1.487,394 2.634,395 0.973,396 2.338,397 1.322,398 3.496,399 1.734,400 0.746,401 1.11,402 1.868,403 0.723,404 1.481,405 1.21,406 3.047,407 1.152,408 0.235,409 0.271,411 0.365,412 0.211,413 1.337,414 0.51,415 2.647,416 0.971,417 0.034,418 0.041,420 0.074,421 0.031,422 1.109,423 0.31,424 2.566,425 0.627,426 -0.275,427 -0.331,429 -0.638,430 -0.153,431 0.972,432 0.162,433 2.395,434 0.51,435 -0.395,436 -0.565,438 -0.958,439 -0.394,440 12.967,441 0.499,442 0.823,443 0.032,444 36.5,445 1.404,446 19.5,447 0.75,448 17,449 0.654,450 20.848,451 0.802,452 26.033,453 0.668,454 27.849,455 1.071,456 7.168,457 0.276,458 5.267,459 0.203,460 0.257,462 0.455,466 0.76,467 1.138,468 0.468,469 0.772,470 0.667,471 0.749,472 0.752,473 0.837,474 0.539,475 0.561,476 0.579,477 0.571,478 0.798,479 1.192,480 0.892,481 1.026,482 0.785,483 0.906,484 1.348,485 0.994,486 1.054,487 0.932,488 1.409,489 0.982,490 1.083,491 1.208,492 1.394,493 1.337,494 1.137,495 1.187,496 0.857,497 0.906,498 0.746,499 0.882,500 0.993,501 0.94,502 1.008,503 0.981,504 0.815,505 0.942,506 1.158,507 1.015,508 1.04,509 1.02,510 0.762,511 0.973,512 1.133,513 1.193,514 5,515 0.107,516 4,517 3.5,518 1.962,519 1.327,520 0.735,521 0.395,522 0.258,523 0.204,524 7013,525 24769,526 2.055,527 33.3,529 12,532 1,536 1.695,537 1.857,538 3.179,539 -0.294,541 1,545 67.314,546 1.726,547 3.919,548 4.644,549 5.042,550 5.042,551 5.042,552 2.687,553 4.624,554 4.671,555 3.321,556 1079.44,557 8.118,558 12688.2,560 1,562 1,563 206.131,564 1.526,565 4.598,566 0.172,567 0.009,568 0.091,569 0.071,570 0.044,571 0.033,572 0.022,573 0.015,574 0.014,575 0.012,576 0.482,577 0.5,578 1,579 1.031,580 123.998,581 -0.084,582 -0.121,583 -0.003,584 -0.008,585 -0.1,586 0.017,587 0.043,588 0.216,589 0.045,590 0.257,591 0.031,592 0.265,593 -0.005,594 -0.177,595 -0.014,596 -0.133,597 0.037,598 -0.06,599 -0.247,600 0.01,601 -0.069,602 0.016,603 -0.22,604 -0.105,605 -0.018,606 -0.229,607 -0.172,608 -0.319,610 -0.26,611 0.17,612 0.086,613 0.023,614 0.047,615 0.149,616 0.057,617 -0.092,618 -0.021,619 0.059,620 0.019,621 -0.098,622 -0.006,623 -0.171,624 -0.058,625 -0.011,626 -0.046,627 -0.204,628 -0.187,629 2.189,630 5.935,631 0.692,632 20.189,633 1.027,634 1.107,635 2.852,636 8.132,637 0.737,638 3.401,639 3.807,640 4.19,641 4.522,642 4.779,643 4.942,644 5.124,645 5.288,646 5.347,647 5.403,648 5.503,649 0.72,650 413.24,651 3.401,652 4.99,653 5.9,654 6.83,655 7.759,656 8.697,657 9.633,658 10.574,659 11.514,660 12.458,661 5.1,669 1,670 1,674 2,675 6,680 6,681 1,682 16,684 1,686 1,690 1,696 1,698 1,699 39,700 19,701 2,702 29,703 1,704 42,705 19,706 14,707 6,708 6,709 3,710 4,711 6,721 17,722 2,724 3,728 2,730 1,731 3,733 1,736 13,737 5,738 1,739 7,740 1,743 2,747 0.5,748 4,756 1,759 2,760 2,762 2,777 2,780 1,781 2,785 26,788 1,791 1,800 1,801 10.3,803 1,804 2,806 1,808 14,809 7.993,810 5.639,811 2.173,812 3.8,813 1.488,814 0.998,815 3.976,816 11.583,817 3.714,818 4.416,819 5.138,820 5.805,821 6.388,822 6.814,823 7.291,824 7.75,825 8.068,826 8.435,827 1,828 49,829 9.645,831 4.317,832 8.022,833 17.764,835 14.837,837 2.522,838 65.583,842 141.253,843 111.304,844 64.639,846 103.973,849 157.258,850 245.226,851 18.685,852 19.279,854 56.857,855 108.055,856 47.626,857 2.144,858 141.253,859 45.954,860 141.253,861 129.989,862 103.973,864 45.954,865 141.253,866 103.973,869 18.685,870 111.304,872 45.954,873 141.253,874 122.658,875 157.258,878 141.253,879 35.167,880 78.036,881 45.954,882 120.759,883 141.253,884 122.658,885 157.258,887 0.601,888 0.384,889 0.209,890 0.113,891 24,892 12,893 0.071,894 3,895 2,896 1.222,897 3.566,898 239.855,899 0.222,900 18,901 122.211,904 17.009,905 6.078,906 2.445,907 1.481,908 120.759,909 10.152,914 2.194,915 1.605,916 42.683,917 421.169,918 40,922 24.657,924 4.409,925 -0.706,926 40.044,927 43.167,928 0.327,929 0.742,930 0.879,931 0.954,932 0.954,933 0.954,934 4.99,935 1.45,936 5.938,937 4.995,938 4.489,939 5.103,940 1.992,941 6.866,942 4.411,943 6.261,944 1.347,945 7.578,946 3.974,947 4.29,948 5.147,950 7.982,951 4.169,952 7.624,953 1.075,954 9.317,955 3.412,956 6.201,957 7.452,958 2.832,959 11.16,960 6.073,961 9.027,962 0.746,963 11.112,964 2.634,965 6.815,966 8.323,968 13.1,969 6.651,970 10.463,971 0.235,972 12.942,973 1.868,974 8.244,975 10.139,976 3.81,977 15.821,978 8.071,979 11.923,980 0.034,981 14.795,982 0.365,983 9.204,984 11.385,986 18.1,987 9,988 13.403,989 -0.275,990 16.667,991 0.074,992 10.474,993 13.024,994 4.825,995 20.676,996 10.254,997 3.44,998 -0.395,999 18.553,1000 -0.638,1001 11.579,1002 14.439,1004 23.097,1005 11.329,1006 3.135,1007 12.664,1008 20.451,1009 -0.958,1010 12.8,1011 16.016,1012 5.851,1013 25.63,1014 12.529,1015 2.725,1016 10.842,1017 22.358,1018 4.809,1019 13.965,1020 17.508,1022 28.109,1023 13.666,1024 2.444,1025 8.899,1026 24.274,1027 4.198,1028 15.174,1029 19.066,1030 6.88,1031 30.632,1032 14.85,1033 2.154,1034 8.166,1035 26.197,1036 3.555,1037 16.367,1038 20.593,1040 33.137,1041 16.014,1042 1.9,1043 6.773,1044 28.125,1045 3.247,1046 17.577,1047 22.147,1048 7.91,1049 35.66,1050 17.197,1051 1.655,1052 5.918,1053 30.058,1054 2.913,1055 18.782,1056 23.691,1058 38.179,1059 18.374,1060 6823,1061 12913,1062 18.729,1063 28.75,1064 45.413,1065 47.896,1066 48.616,1067 44.854,1068 44.683,1069 60.733,1070 4.549,1071 141.166,1072 42.629,1073 5.697,1074 5.773,1075 6.753,1076 5.449,1077 5.44,1078 7.809,1079 3.349,1080 20.537,1081 5.344,1082 15.543,1083 1.566,1084 1.652,1085 1.676,1086 1.547,1087 1.541,1088 2.094,1089 0.157,1090 4.868,1091 1.47,1092 4.169,1093 4.191,1094 6.881,1095 4.092,1096 7.434,1097 4.098,1098 3.974,1099 3.991,1100 4.114,1101 3.903,1102 7.426,1103 3.908,1104 3.553,1105 3.563,1106 3.926,1107 3.422,1108 6.47,1109 3.43,1110 3.448,1111 3.494,1112 3.503,1113 3.239,1114 4.893,1115 3.267,1116 3.259,1117 3.311,1118 3.329,1119 3.028,1120 4.751,1121 3.039,1122 3.031,1123 3.078,1124 3.136,1125 2.932,1126 4.496,1127 2.902,1128 2.951,1129 2.998,1130 2.857,1131 2.777,1132 4.243,1133 2.768,1134 2.818,1135 2.872,1136 2.783,1137 2.717,1138 4.128,1139 2.662,1140 0.167,1141 0.13,1142 0.249,1143 0.152,1144 0.119,1145 4.847,1146 0.166,1147 3.773,1148 0.058,1149 7.209,1150 0.437,1151 4.409,1152 0.115,1153 3.44,1154 4.809,1155 1.674,1156 12.664,1157 3.344,1158 1.936,1159 1.92,1160 1.985,1161 2.003,1162 1.177,1163 2.008,1164 1.888,1165 1.875,1166 1.965,1167 1.971,1168 1.091,1169 1.967,1170 1.623,1171 1.593,1172 1.74,1173 1.822,1174 0.856,1175 1.796,1176 1.31,1177 1.264,1178 1.592,1179 1.598,1180 0.581,1181 1.585,1182 1.274,1183 1.241,1184 1.473,1185 1.518,1186 0.557,1187 1.505,1188 1.011,1189 0.981,1190 1.176,1191 1.216,1192 0.245,1193 1.195,1194 0.956,1195 0.903,1196 1.088,1197 1.182,1198 0.166,1199 1.163,1200 0.799,1201 0.752,1202 1.012,1203 0.997,1204 0.156,1205 1.015,1206 4.078,1208 5.46,1209 3.045,1210 7.043,1211 5.587,1212 8.716,1213 7.825,1214 10.437,1215 3.472,1216 3,1221 10.619,1224 4.7,1231 28.088,1232 67.314,1233 152.846,1234 181.111,1235 196.621,1236 196.621,1237 196.621,1238 53.691,1239 7.783,1240 81.42,1241 81.42,1242 22,1243 12.952,1244 4.322,1245 3.585,1246 37.889,1247 85,1248 98,1249 0.226,1250 175.665,1251 305.16,1252 420.382,1253 23414,1254 2.6,1255 18.585,1256 0.715,1257 0.596,1258 19.585,1259 15.494,1260 12.435,1261 0.429,1262 0.295,1263 7.676,1264 11.392,1265 7.406,1266 6.113,1267 13.012,1268 8.55,1269 11.586,1270 0.263,1271 0.154,1272 12.328,1273 6.761,1274 10.844,1275 0.167,1276 0.079,1277 11.517,1278 5.119,1279 9.116,1280 0.1,1281 0.042,1282 9.871,1283 3.846,1284 7.436,1285 0.063,1286 0.021,1287 7.954,1288 2.48,1289 0.342,1290 86.858,1291 0.231,1292 24.362,1293 0.66,1294 146,1295 485.301,1296 225.86,1297 500.182,1298 669.63,1299 464,1300 182,1301 464.568,1302 231.878,1303 484.867,1304 722.99,1305 454,1306 5} {0 CHEMBL2321974,1 1.629,2 8.478,3 2.882,4 8.307,5 81.539,6 9.282,7 0.615,8 3.667,9 3.736,10 3.398,11 3.28,12 5.007,13 3.307,14 4.111,15 4.187,16 3.821,17 3.689,18 5.56,19 3.706,20 4.343,21 4.465,22 3.882,23 3.752,24 5.746,25 3.768,26 4.381,27 4.519,28 3.819,29 3.67,30 5.809,31 3.689,32 4.281,33 4.417,34 3.729,35 3.492,36 5.879,37 3.537,38 4.086,39 4.221,40 3.49,41 3.388,42 5.503,43 3.401,44 3.978,45 4.11,46 3.329,47 3.253,48 5.602,49 3.243,50 3.803,51 3.988,52 2.939,53 3.033,54 5.02,55 2.971,56 0.157,57 0.439,58 3.932,59 2.664,60 24.009,61 2.294,62 0.277,63 0.696,64 5.901,65 4.279,66 44.756,67 4.208,68 0.368,69 0.879,70 10.333,71 5.579,72 52.936,73 5.551,74 0.478,75 0.912,76 12.21,77 5.837,78 71.291,79 5.662,80 0.628,81 0.805,82 12.266,83 5.021,84 97.31,85 4.601,86 0.359,87 0.648,88 9.432,89 4.465,90 61.151,91 4.179,92 0.453,93 0.574,94 8.335,95 3.995,96 84.767,97 3.825,98 0.253,99 0.481,100 8.384,101 3.827,102 43.581,103 4.347,104 18,105 39,106 0.293,107 0.635,108 0.768,109 0.886,110 0.908,111 0.908,112 3.19,113 0.792,114 -3.27,115 -3.26,116 -3.13,119 51.5,133 7,134 4,135 1,143 1,144 1,146 2,147 1,156 1,158 1,159 9,160 1,162 5,164 1,165 1,166 5,168 9,169 2,171 1,172 7,176 5,178 7,179 1,182 6,183 1,185 2,187 4,190 4,191 1,193 1,194 5,197 3,199 5,202 5,206 3,207 1,211 4,213 6,214 1,216 1,217 2,220 1,222 5,224 7,225 1,229 1,234 1,235 2,237 6,238 1,242 1,245 2,246 2,247 1,250 2,251 2,255 659,256 15.43,257 15.43,258 15.43,259 15.43,260 15.43,261 13.179,262 12.482,263 8.769,264 15.555,265 12.812,266 12.812,267 12.812,268 12.812,269 12.812,270 9.255,271 15.944,272 4.133,273 13.023,274 3.415,275 1.517,276 0.777,277 0.121,280 3.883,283 1,284 1,285 429,286 2.739,288 82.012,289 106.718,291 158.503,295 1.327,296 36.73,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 51,307 195,308 4.746,309 3.757,310 7.038,311 4.339,312 3.353,313 4.635,314 1.437,315 12.059,316 3.309,317 4.456,318 3.572,319 6.561,320 4.026,321 3.039,322 4.167,323 0.6,324 10.334,325 2.997,326 4.038,327 3.202,328 5.951,329 3.668,330 2.665,331 3.493,333 8.288,334 2.661,335 3.652,336 2.639,337 5.719,338 3.223,339 2.241,340 3.061,342 7.41,343 2.197,344 3.313,345 2.374,346 5.181,347 2.867,348 1.899,349 2.591,351 5.665,352 1.836,353 3.159,354 2.15,355 4.843,356 2.696,357 1.723,358 2.348,360 5.093,361 1.658,362 3.017,363 1.798,364 4.622,365 2.487,366 1.508,367 2.203,369 4.438,370 1.473,371 2.83,372 1.574,373 3.796,374 2.339,375 1.354,376 1.983,378 2.937,379 1.329,380 2.725,381 1.398,382 3.64,383 2.204,384 1.203,385 1.724,386 2.902,387 1.188,388 2.41,389 1.308,390 3.601,391 1.836,392 0.812,393 1.22,394 2.066,395 0.823,396 1.996,397 0.607,398 3.318,399 1.437,400 0.47,401 0.7,402 1.257,403 0.453,404 1.166,405 0.464,406 2.683,407 0.729,408 -0.257,409 -0.331,411 -0.645,412 -0.244,413 0.937,414 0.216,415 2.362,416 0.473,417 -0.516,418 -0.733,420 -1.261,421 -0.507,422 0.733,423 -0.065,424 2.288,425 0.303,426 -0.676,427 -0.862,429 -1.897,430 -0.655,431 0.601,432 -0.549,433 2.26,434 0.096,435 -0.896,436 -1.326,438 -2,439 -0.886,440 10.633,441 0.462,442 0.699,443 0.03,444 34.5,445 1.5,446 19.5,447 0.848,448 15,449 0.652,450 13.887,451 0.604,452 22.967,453 0.696,454 25.673,455 1.116,456 6.973,457 0.303,458 4.086,459 0.178,460 0.125,462 0.47,466 0.832,467 0.902,468 0.663,469 0.72,470 0.76,471 0.651,472 0.47,473 1.104,474 0.62,475 0.948,476 0.475,477 0.869,478 0.831,479 1.123,480 0.843,481 1.038,482 0.784,483 0.965,484 1.049,485 1.117,486 1.014,487 1.083,488 1.032,489 1.048,490 1.196,491 0.897,492 1.022,493 0.866,494 1.215,495 0.871,496 1.202,497 1.006,498 1.079,499 1.027,500 1.205,501 1.011,502 0.944,503 0.989,504 1.195,505 1.086,506 0.886,507 1.183,508 0.867,509 1.037,510 1.159,511 1.202,512 0.913,513 1.266,514 4.5,515 0.037,516 3.111,517 2.743,518 1.481,519 1.039,520 0.558,521 0.22,522 0.202,523 0.119,524 5246,525 18102,526 2.115,527 30.3,529 7,532 3,536 1.661,537 1.944,538 3.075,539 1.032,541 1,543 1,545 53.759,546 1.629,547 3.527,548 4.267,549 4.923,550 5.044,551 5.044,552 2.533,553 4.437,554 4.495,555 3.194,556 807.979,557 7.761,558 8715.32,559 1,560 1,561 1,562 1,563 166.465,564 1.491,565 4.44,566 0.173,567 0.007,568 0.08,569 0.069,570 0.041,571 0.032,572 0.021,573 0.01,574 0.014,575 0.01,576 0.459,577 0.5,578 1,579 0.832,580 104.919,581 -0.153,582 0.1,583 -0.044,584 0.173,585 -0.149,586 0.125,587 0.152,588 -0.108,589 0.022,590 -0.054,591 0.113,592 -0.064,593 -0.05,594 -0.124,595 -0.002,596 -0.107,597 -0.022,598 -0.056,599 -0.104,600 -0.113,601 -0.068,602 -0.139,603 -0.095,604 -0.107,605 -0.008,606 0.133,607 -0.005,608 0.079,609 -0.029,610 0.052,611 -0.211,612 -0.049,613 -0.114,614 -0.056,615 -0.174,616 -0.047,617 0.086,618 -0.039,619 -0.217,620 -0.111,621 0.172,622 -0.217,623 -0.05,624 -0.146,625 -0.044,626 -0.158,627 -0.093,628 -0.117,629 2.751,630 5.569,631 0.783,632 15.811,633 1.032,634 1.106,635 2.042,636 4.171,637 0.723,638 3.296,639 3.689,640 4.043,641 4.382,642 4.625,643 4.771,644 4.977,645 5.088,646 5.1,647 5.17,648 5.066,649 0.728,650 306.29,651 3.296,652 4.875,653 5.771,654 6.693,655 7.61,656 8.538,657 9.463,658 10.394,659 11.323,660 12.255,661 6.1,669 1,670 1,674 2,675 7,677 1,680 5,682 16,684 1,686 1,689 1,696 1,699 33,700 19,701 2,702 26,704 36,705 17,706 14,707 5,708 7,709 3,710 4,711 6,721 17,724 3,728 2,730 1,731 3,732 1,733 1,736 10,737 5,738 3,739 6,743 2,747 0.5,748 4,756 1,759 2,760 2,762 2,775 1,777 2,785 23,788 2,801 12.1,803 2,804 2,808 11.833,809 6.017,810 4.889,811 1.853,812 3.804,813 1.506,814 1.002,815 2.864,816 11.316,817 3.638,818 4.327,819 5.026,820 5.695,821 6.264,822 6.67,823 7.178,824 7.598,825 7.864,826 8.284,827 0.833,828 40,829 8.529,831 3.929,832 8.203,833 15.478,835 13.179,837 2.703,838 62.167,842 82.398,843 92.164,844 33.571,846 135.657,849 92.164,850 218.054,851 33.571,854 66.334,855 144.457,856 48.457,857 2.144,858 82.398,860 82.398,861 125.735,862 135.657,865 82.398,866 135.657,869 33.571,870 92.164,873 82.398,874 169.228,875 92.164,878 82.398,879 25.831,880 66.334,881 16.786,882 152.442,883 82.398,884 169.228,885 92.164,887 0.6,888 0.366,889 0.205,890 0.113,891 22,892 10,893 0.056,894 2,895 2,896 1.222,897 3.415,898 200.933,899 0.222,900 18,901 104.042,904 13.733,905 4.797,906 1.978,907 1.376,908 152.442,909 11.351,911 2.809,914 0.886,916 102.152,917 343.79,918 37,922 23.612,924 4.253,925 -1.312,926 34.047,927 36.495,928 0.323,929 0.699,930 0.846,931 0.976,932 1,933 1,934 4.898,935 1.354,936 5.796,937 4.438,938 4.369,939 5.014,940 1.766,941 6.696,942 4.339,943 6.159,944 1.203,945 7.413,946 2.937,947 4.111,948 4.977,950 7.753,951 4.069,952 7.508,953 0.812,954 9.13,955 2.902,956 6.047,957 7.333,958 2.28,959 10.913,960 5.993,961 8.896,962 0.47,963 10.904,964 2.066,965 6.608,966 8.129,968 12.809,969 6.544,970 10.316,971 -0.257,972 12.715,973 1.257,974 8.054,975 9.973,976 2.927,977 15.498,978 7.977,979 11.762,980 -0.516,981 14.551,982 -0.645,983 8.972,984 11.155,986 17.733,987 8.885,988 13.227,989 -0.676,990 16.405,991 -1.261,992 10.241,993 12.797,994 3.62,995 20.27,996 10.141,997 3.353,998 -0.896,999 18.274,1000 -1.897,1001 11.313,1002 14.159,1004 22.643,1005 11.2,1006 3.039,1007 12.059,1008 20.155,1009 -2,1010 12.52,1011 15.719,1012 4.33,1013 25.133,1014 12.394,1015 2.665,1016 10.334,1017 22.045,1018 4.635,1019 13.658,1020 17.164,1022 27.564,1023 13.518,1024 2.241,1025 8.288,1026 23.942,1027 4.167,1028 14.847,1029 18.694,1030 5.047,1031 30.041,1032 14.694,1033 1.899,1034 7.41,1035 25.846,1036 3.493,1037 16.013,1038 20.177,1040 32.498,1041 15.846,1042 1.723,1043 5.665,1044 27.755,1045 3.061,1046 17.2,1047 21.697,1048 5.769,1049 34.974,1050 17.019,1051 1.508,1052 5.093,1053 29.669,1054 2.591,1055 18.38,1056 23.199,1058 37.444,1059 18.185,1060 5027,1061 9432,1062 17.224,1063 23.875,1064 41.375,1065 42.468,1066 42.54,1067 40.583,1068 40.532,1069 56.25,1070 4.073,1071 124.897,1072 39.85,1073 5.592,1074 5.757,1075 6.719,1076 5.378,1077 5.353,1078 7.635,1079 2.873,1080 19.766,1081 5.309,1082 11.697,1083 1.591,1084 1.633,1085 1.636,1086 1.561,1087 1.559,1088 2.163,1089 0.157,1090 4.804,1091 1.533,1092 4.154,1093 4.179,1094 4.128,1095 4.068,1096 7.475,1097 4.079,1098 3.968,1099 3.987,1100 3.935,1101 3.893,1102 7.428,1103 3.9,1104 3.53,1105 3.541,1106 3.498,1107 3.395,1108 6.473,1109 3.412,1110 3.369,1111 3.397,1112 3.299,1113 3.172,1114 6.351,1115 3.202,1116 3.084,1117 3.105,1118 3.014,1119 2.862,1120 4.917,1121 2.884,1122 2.896,1123 2.95,1124 2.796,1125 2.768,1126 4.749,1127 2.761,1128 2.851,1129 2.874,1130 2.756,1131 2.612,1132 4.265,1133 2.658,1134 2.606,1135 2.632,1136 2.478,1137 2.327,1138 4.107,1139 2.354,1140 0.183,1141 0.145,1142 0.271,1143 0.167,1144 0.129,1145 4.746,1146 0.178,1147 3.757,1148 0.055,1149 7.038,1150 0.464,1151 4.339,1152 0.127,1153 3.353,1154 4.635,1155 1.437,1156 12.059,1157 3.309,1158 1.935,1159 1.913,1160 2.026,1161 2.013,1162 1.152,1163 2.018,1164 1.887,1165 1.873,1166 1.963,1167 1.968,1168 1.087,1169 1.965,1170 1.578,1171 1.554,1172 1.628,1173 1.773,1174 0.715,1175 1.73,1176 1.218,1177 1.207,1178 1.33,1179 1.475,1180 0.341,1181 1.422,1182 1.092,1183 1.066,1184 1.193,1185 1.384,1186 0.242,1187 1.316,1188 0.909,1189 0.87,1190 1.098,1191 1.081,1192 0.146,1193 1.084,1194 0.8,1195 0.763,1196 1.063,1197 1.022,1198 0.097,1199 1.023,1200 0.74,1201 0.691,1202 0.938,1203 0.984,1205 0.999,1206 3.97,1208 5.342,1209 3.045,1210 6.909,1211 5.533,1212 8.563,1213 7.727,1214 10.264,1221 19.191,1231 24.009,1232 53.759,1233 116.407,1234 140.814,1235 162.465,1236 166.465,1237 166.465,1238 45.686,1239 7.512,1240 103.28,1241 103.28,1242 22,1243 12.756,1244 4.322,1245 3.585,1246 31.728,1247 69,1248 69,1249 0.232,1250 144.566,1251 251.28,1252 344.502,1253 17031,1255 16.137,1256 0.702,1257 0.509,1258 16.137,1259 11.7,1260 11.059,1261 0.425,1262 0.264,1263 6.778,1264 10.666,1265 6.678,1266 5.479,1267 11.059,1268 6.868,1269 10.498,1270 0.269,1271 0.134,1272 10.498,1273 5.221,1274 9.238,1275 0.165,1276 0.069,1277 9.238,1278 3.86,1279 8.114,1280 0.103,1281 0.035,1282 8.114,1283 2.785,1284 6.645,1285 0.066,1286 0.018,1287 6.645,1288 1.86,1289 0.35,1290 69.477,1291 0.241,1292 21.945,1293 0.683,1294 130,1295 431.748,1296 142.854,1297 417.683,1298 564.74,1299 386,1300 160,1301 414.404,1302 172.359,1303 419.661,1304 623.89,1305 396,1306 5.585} {0 CHEMBL2321975,1 1.75,2 9.28,3 3.882,4 15.066,5 93.93,6 11.089,7 0.571,8 3.744,9 3.81,10 3.636,11 3.379,12 5.034,13 3.39,14 4.219,15 4.305,16 4.096,17 3.79,18 5.55,19 3.789,20 4.392,21 4.493,22 4.28,23 3.886,24 5.789,25 3.881,26 4.475,27 4.59,28 4.231,29 3.855,30 5.883,31 3.838,32 4.369,33 4.484,34 4.094,35 3.672,36 5.925,37 3.685,38 4.268,39 4.417,40 3.916,41 3.603,42 5.584,43 3.571,44 4.144,45 4.286,46 3.955,47 3.488,48 5.657,49 3.449,50 3.934,51 4.102,52 3.546,53 3.283,54 5.117,55 3.195,56 0.152,57 0.461,58 1.903,59 2.854,60 15.217,61 2.573,62 0.385,63 0.742,64 5.693,65 4.954,66 34.271,67 4.718,68 0.375,69 0.883,70 12.134,71 6.221,72 38.557,73 5.812,74 0.581,75 0.951,76 18.612,77 7.249,78 70.321,79 6.013,80 0.655,81 0.857,82 14.713,83 6.074,84 79.709,85 5.054,86 0.427,87 0.757,88 16.056,89 6.173,90 56.289,91 6.125,92 0.537,93 0.681,94 10.766,95 5.212,96 70.906,97 4.76,98 0.258,99 0.537,100 7.67,101 4.643,102 32.386,103 5.067,104 28,105 42,106 0.31,107 0.707,108 0.806,109 0.883,110 0.893,111 0.893,112 3.268,113 0.874,114 -3.86,115 -3.82,116 -3.62,117 1,119 50,123 1,133 6,134 4,135 2,143 1,144 1,146 2,147 1,159 8,161 1,162 6,165 1,166 3,168 8,171 1,172 9,176 4,178 7,182 7,185 2,187 2,190 6,193 2,194 5,197 2,199 5,202 5,206 3,211 4,213 5,216 2,217 4,222 4,224 6,229 2,237 6,242 2,245 4,250 4,255 837,256 16.801,257 16.801,258 16.801,259 16.801,260 16.801,261 14.557,262 15.113,263 9.433,264 17.208,265 13.7,266 13.7,267 13.7,268 13.7,269 13.7,270 10.061,271 17.067,272 4.343,273 14.298,274 3.42,275 1.181,276 0.618,277 0.188,278 0.132,279 0.132,280 3.96,284 1,285 505,286 3,288 92.368,289 119.61,291 177.914,295 1.491,296 36.579,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.75,307 232,308 4.772,309 3.761,310 7.068,311 4.352,312 3.371,313 4.696,314 1.674,315 12.169,316 3.312,317 4.49,318 3.643,319 6.618,320 4.06,321 3.081,322 4.185,323 0.6,324 10.521,325 3.009,326 4.088,327 3.317,328 6.097,329 3.717,330 2.728,331 3.559,333 8.731,334 2.688,335 3.819,336 2.825,337 5.945,338 3.382,339 2.447,340 3.253,342 8.133,343 2.255,344 3.348,345 2.64,346 5.294,347 2.908,348 1.936,349 2.604,351 5.976,352 1.862,353 3.228,354 2.173,355 4.966,356 2.735,357 1.794,358 2.521,360 5.282,361 1.668,362 3.119,363 2.032,364 4.807,365 2.62,366 1.665,367 2.274,369 4.973,370 1.544,371 2.873,372 1.778,373 4.221,374 2.384,375 1.417,376 2.03,378 3.584,379 1.355,380 2.792,381 1.461,382 4.103,383 2.316,384 1.349,385 1.845,386 3.377,387 1.288,388 2.451,389 1.454,390 3.701,391 1.916,392 0.93,393 1.327,394 2.381,395 0.885,396 2.171,397 1.366,398 3.429,399 1.558,400 0.628,401 0.931,402 1.668,403 0.55,404 1.475,405 0.986,406 2.765,407 1.122,408 0.196,409 0.232,411 0.264,412 0.177,413 1.25,414 0.377,415 2.613,416 0.805,417 -0.086,418 -0.108,420 -0.211,421 -0.062,422 1.089,423 0.176,424 2.431,425 0.565,426 -0.419,427 -0.587,429 -1.006,430 -0.355,431 0.804,432 -0.151,433 2.278,434 0.368,435 -0.61,436 -0.843,438 -1.529,439 -0.552,440 12.467,441 0.499,442 0.751,443 0.03,444 35.75,445 1.43,446 19.5,447 0.78,448 16.25,449 0.65,450 18.808,451 0.752,452 24.733,453 0.687,454 26.25,455 1.05,456 7.016,457 0.281,458 4.991,459 0.2,460 0.227,462 0.441,466 0.788,467 0.996,468 0.464,469 0.69,470 0.68,471 0.676,472 0.709,473 0.949,474 0.549,475 0.654,476 0.584,477 0.673,478 0.834,479 1.18,480 0.91,481 1.02,482 0.829,483 0.928,484 1.274,485 1.051,486 1.154,487 1.017,488 1.319,489 1.004,490 1.119,491 1.001,492 0.808,493 0.975,494 1.242,495 0.986,496 1.034,497 1.078,498 0.842,499 1.01,500 1.147,501 1.013,502 0.867,503 0.867,504 0.87,505 0.893,506 0.901,507 0.966,508 0.805,509 1.086,510 0.752,511 1.035,512 0.815,513 1.182,514 5,515 0.09,516 3.778,517 2.931,518 1.797,519 1.122,520 0.639,521 0.395,522 0.22,523 0.164,524 6506,525 23864,526 2.081,527 30.6,529 9,532 2,536 1.684,537 1.899,538 3.189,539 0.312,541 1,545 63.005,546 1.75,547 3.989,548 4.551,549 4.982,550 5.038,551 5.038,552 2.709,553 4.564,554 4.614,555 3.318,556 995.446,557 7.998,558 11445.7,560 1,562 1,563 186.117,564 1.516,565 4.552,566 0.179,567 0.009,568 0.09,569 0.065,570 0.044,571 0.031,572 0.021,573 0.015,574 0.012,575 0.01,576 0.477,577 0.5,578 1,579 1.022,580 117.995,581 -0.112,582 0.004,583 -0.008,584 0.047,585 -0.112,586 0.058,587 0.061,588 0.049,589 0.023,590 0.145,591 0.028,592 0.132,593 -0.032,594 -0.176,595 -0.023,596 -0.128,597 0.001,598 -0.072,599 -0.222,600 -0.043,601 -0.112,602 -0.051,603 -0.184,604 -0.106,605 0.034,606 0.034,607 -0.038,608 -0.088,609 0.009,610 -0.117,611 -0.107,612 -0.127,613 -0.003,614 -0.06,615 -0.119,617 0.133,618 0.136,619 0.059,620 0.069,621 0.165,622 0.013,623 -0.018,624 -0.184,625 0.054,626 -0.068,627 -0.027,628 -0.091,629 2.169,630 5.743,631 0.72,632 19.216,633 1.032,634 1.104,635 2.626,636 6.898,637 0.75,638 3.367,639 3.761,640 4.127,641 4.454,642 4.7,643 4.868,644 5.069,645 5.215,646 5.247,647 5.323,648 5.469,649 0.738,650 399.21,651 3.367,652 4.949,653 5.849,654 6.772,655 7.692,656 8.622,657 9.549,658 10.482,659 11.414,660 12.349,661 5.6,669 1,670 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,690 1,696 1,698 1,699 36,700 19,701 2,702 28,703 1,704 39,705 18,706 14,707 6,708 6,709 3,710 4,711 6,721 17,722 1,724 3,728 2,730 1,731 3,733 1,736 11,737 5,738 2,739 7,740 1,743 2,747 0.5,748 4,756 1,759 2,760 2,762 2,777 2,780 1,781 1,785 25,788 1,791 1,800 1,801 11.1,803 1,804 2,806 1,808 13.167,809 7.043,810 5.417,811 1.998,812 3.82,813 1.496,814 1.012,815 3.746,816 11.524,817 3.689,818 4.379,819 5.088,820 5.749,821 6.322,822 6.752,823 7.248,824 7.689,825 7.971,826 8.376,827 1,828 45,829 9.261,831 4.167,832 8.063,833 16.982,835 14.221,837 2.563,838 64.083,842 105.94,843 102.908,844 79.525,846 103.973,849 148.862,850 209.913,851 33.571,852 10.883,854 56.857,855 108.055,856 62.512,857 2.144,858 105.94,859 45.954,860 105.94,861 136.479,862 103.973,864 45.954,865 105.94,866 103.973,869 33.571,870 102.908,872 45.954,873 105.94,874 137.544,875 148.862,878 105.94,879 35.167,880 67.741,881 62.74,882 120.759,883 105.94,884 137.544,885 148.862,887 0.598,888 0.375,889 0.204,890 0.111,891 23,892 11,893 0.077,894 3,895 2,896 1.222,897 3.546,898 224.745,899 0.222,900 18,901 114.096,904 16.062,905 5.83,906 2.409,907 1.358,908 120.759,909 10.01,911 2.86,914 2.054,916 59.469,917 392.346,918 39,922 24.409,924 4.357,925 -0.667,926 37.16,927 39.752,928 0.339,929 0.771,930 0.88,931 0.964,932 0.974,933 0.974,934 4.956,935 1.417,936 5.878,937 4.973,938 4.443,939 5.066,940 1.992,941 6.786,942 4.37,943 6.219,944 1.349,945 7.503,946 3.584,947 4.205,948 5.066,950 7.861,951 4.099,952 7.573,953 0.93,954 9.226,955 3.377,956 6.133,957 7.396,958 2.832,959 11.02,960 6.022,961 8.966,962 0.628,963 11.006,964 2.381,965 6.711,966 8.225,968 12.919,969 6.576,970 10.392,971 0.196,972 12.82,973 1.668,974 8.146,975 10.051,976 3.81,977 15.612,978 8.005,979 11.842,980 -0.086,981 14.659,982 0.264,983 9.075,984 11.257,986 17.847,987 8.915,988 13.311,989 -0.419,990 16.516,991 -0.211,992 10.339,993 12.893,994 4.825,995 20.388,996 10.168,997 3.371,998 -0.61,999 18.387,1000 -1.006,1001 11.417,1002 14.273,1004 22.763,1005 11.228,1006 3.081,1007 12.169,1008 20.269,1009 -1.529,1010 12.623,1011 15.836,1012 5.851,1013 25.258,1014 12.422,1015 2.728,1016 10.521,1017 22.161,1018 4.696,1019 13.765,1020 17.296,1022 27.693,1023 13.546,1024 2.447,1025 8.731,1026 24.059,1027 4.185,1028 14.955,1029 18.834,1030 6.88,1031 30.176,1032 14.721,1033 1.936,1034 8.133,1035 25.964,1036 3.559,1037 16.125,1038 20.331,1040 32.638,1041 15.874,1042 1.794,1043 5.976,1044 27.875,1045 3.253,1046 17.314,1047 21.862,1048 7.91,1049 35.121,1050 17.047,1051 1.665,1052 5.282,1053 29.79,1054 2.604,1055 18.497,1056 23.377,1058 37.597,1059 18.213,1060 6293,1061 12142,1062 18.323,1063 26.989,1064 43.823,1065 46.193,1066 46.498,1067 43.253,1068 43.084,1069 58.913,1070 4.549,1071 134.117,1072 41.186,1073 5.619,1074 5.761,1075 6.611,1076 5.393,1077 5.371,1078 7.696,1079 3.349,1080 19.908,1081 5.312,1082 13.955,1083 1.565,1084 1.65,1085 1.661,1086 1.545,1087 1.539,1088 2.104,1089 0.162,1090 4.79,1091 1.471,1092 4.156,1093 4.178,1094 6.881,1095 4.082,1096 7.434,1097 4.087,1098 3.97,1099 3.987,1100 4.101,1101 3.901,1102 7.427,1103 3.905,1104 3.555,1105 3.561,1106 3.917,1107 3.419,1108 6.473,1109 3.43,1110 3.396,1111 3.43,1112 3.506,1113 3.197,1114 4.913,1115 3.225,1116 3.217,1117 3.273,1118 3.286,1119 2.973,1120 4.758,1121 2.986,1122 2.963,1123 3.006,1124 3.097,1125 2.908,1126 4.492,1127 2.856,1128 2.892,1129 2.936,1130 2.81,1131 2.767,1132 4.254,1133 2.758,1134 2.772,1135 2.778,1136 2.668,1137 2.513,1138 4.105,1139 2.54,1140 0.17,1141 0.134,1142 0.252,1143 0.155,1144 0.12,1145 4.772,1146 0.168,1147 3.761,1148 0.06,1149 7.068,1150 0.435,1151 4.352,1152 0.118,1153 3.371,1154 4.696,1155 1.674,1156 12.169,1157 3.312,1158 1.931,1159 1.915,1160 1.979,1161 1.99,1162 1.161,1163 1.998,1164 1.888,1165 1.874,1166 1.965,1167 1.971,1168 1.09,1169 1.967,1170 1.576,1171 1.555,1172 1.614,1173 1.77,1174 0.714,1175 1.727,1176 1.287,1177 1.267,1178 1.591,1179 1.601,1180 0.581,1181 1.586,1182 1.178,1183 1.128,1184 1.321,1185 1.441,1186 0.339,1187 1.404,1188 0.992,1189 0.944,1190 1.15,1191 1.198,1192 0.241,1193 1.177,1194 0.894,1195 0.848,1196 1.07,1197 1.064,1198 0.146,1199 1.07,1200 0.774,1201 0.735,1202 0.958,1203 0.998,1204 0.05,1205 0.987,1206 4.043,1208 5.416,1209 3.045,1210 6.987,1211 5.533,1212 8.648,1213 7.735,1214 10.355,1215 3.411,1216 1.289,1221 10.313,1224 4.689,1231 26.561,1232 63.005,1233 143.588,1234 163.853,1235 179.362,1236 181.362,1237 181.362,1238 49.741,1239 7.704,1240 92.28,1241 92.28,1242 22,1243 12.848,1244 4.322,1245 3.585,1246 35.814,1247 81,1248 92,1249 0.223,1250 166.072,1251 287.86,1252 396.977,1253 21571,1254 2.8,1255 17.715,1256 0.709,1257 0.582,1258 18.715,1259 14.547,1260 12.007,1261 0.429,1262 0.291,1263 7.295,1264 11,1265 7.088,1266 5.827,1267 12.585,1268 8.155,1269 11.168,1270 0.266,1271 0.152,1272 11.909,1273 6.378,1274 10.224,1275 0.168,1276 0.078,1277 10.94,1278 4.772,1279 8.685,1280 0.102,1281 0.04,1282 9.272,1283 3.402,1284 7.065,1285 0.065,1286 0.021,1287 7.622,1288 2.273,1289 0.339,1290 84.079,1291 0.234,1292 23.657,1293 0.647,1294 140,1295 473.989,1296 219.499,1297 489.784,1298 653.49,1299 454,1300 173,1301 450.652,1302 221.713,1303 469.872,1304 699.31,1305 441,1306 5} {0 CHEMBL2322019,1 1.862,2 10.071,3 4.075,4 16.609,5 92.281,6 9.957,7 0.516,8 3.839,9 3.907,10 3.612,11 3.387,12 5.199,13 3.444,14 4.361,15 4.452,16 4.111,17 3.786,18 6.182,19 3.847,20 4.487,21 4.589,22 4.149,23 3.88,24 6.001,25 3.941,26 4.652,27 4.78,28 4.194,29 3.857,30 6.254,31 3.937,32 4.602,33 4.732,34 4.117,35 3.727,36 6.287,37 3.831,38 4.444,39 4.59,40 3.891,41 3.611,42 6.143,43 3.659,44 4.331,45 4.486,46 3.785,47 3.491,48 6.008,49 3.544,50 4.179,51 4.321,52 3.668,53 3.315,54 6.013,55 3.371,56 0.353,57 0.762,58 3.375,59 3.499,60 55.908,61 2.732,62 1.104,63 1.588,64 8.862,65 5.903,66 167.884,67 4.858,68 0.754,69 1.369,70 8.679,71 6.7,72 107.304,73 5.867,74 1.24,75 1.627,76 14.037,77 7.489,78 171.481,79 5.904,80 1.313,81 1.547,82 14.501,83 7.245,84 202.339,85 5.376,86 1.207,87 1.138,88 14.23,89 6.632,90 204.302,91 6.12,92 1.004,93 1.137,94 12.136,95 5.45,96 147.077,97 4.891,98 0.918,99 0.977,100 9.937,101 5.322,102 170.354,103 5.087,104 55,105 48,106 0.325,107 0.711,108 0.802,109 0.871,110 0.88,111 0.88,112 3.376,113 0.773,114 -4.08,115 -4.03,116 -3.81,119 48.7,123 1,127 1,133 6,134 5,135 1,143 1,144 1,146 2,147 1,159 9,161 1,162 6,165 1,166 4,168 9,171 1,172 9,176 3,178 7,182 7,185 2,187 3,190 4,193 2,194 6,197 2,199 4,202 5,206 3,211 4,213 6,216 2,217 3,222 4,224 7,229 2,237 6,242 2,245 4,250 2,255 1134,256 18.273,257 18.273,258 18.273,259 18.273,260 18.273,261 16.12,262 17.923,263 10.127,264 18.796,265 15.194,266 15.194,267 15.194,268 15.194,269 15.194,270 11.611,271 20.545,272 4.674,273 15.986,274 3.424,275 1.212,276 0.693,277 0.295,278 0.244,279 0.244,280 4.062,283 1,284 1,285 604,286 3.873,288 105.996,289 138.529,291 205.18,295 1.587,296 65.22,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 65.5,307 282,308 4.812,309 4.471,310 7.322,311 4.41,312 3.467,313 4.721,314 3.825,315 12.729,316 3.338,317 4.554,318 3.759,319 6.988,320 4.211,321 3.268,322 4.196,323 1.674,324 11.707,325 3.102,326 4.275,327 3.642,328 6.544,329 3.926,330 2.98,331 3.68,332 0.6,333 10.226,334 2.783,335 4.036,336 3.211,337 6.029,338 3.681,339 2.694,340 3.413,342 8.554,343 2.618,344 3.578,345 2.644,346 5.794,347 3.17,348 2.223,349 2.853,351 7.613,352 2.073,353 3.321,354 2.466,355 5.232,356 2.878,357 1.914,358 2.601,360 5.798,361 1.829,362 3.162,363 2.157,364 4.895,365 2.698,366 1.733,367 2.336,369 5.161,370 1.654,371 3.019,372 1.844,373 4.776,374 2.517,375 1.561,376 2.183,378 4.798,379 1.471,380 2.837,381 1.705,382 4.186,383 2.354,384 1.38,385 1.984,386 3.483,387 1.334,388 2.787,389 1.461,390 4.103,391 2.312,392 1.348,393 1.83,394 3.334,395 1.283,396 2.429,397 1.426,398 3.701,399 1.884,400 0.877,401 1.271,402 2.291,403 0.872,404 2.069,405 1.35,406 3.441,407 1.508,408 0.553,409 0.812,411 1.554,412 0.525,413 1.475,414 0.773,415 2.916,416 1.121,417 0.196,418 0.232,420 0.263,421 0.177,422 1.186,423 0.51,424 2.631,425 0.77,426 -0.192,427 -0.241,429 -0.503,430 -0.18,431 1.013,432 0.51,433 2.598,434 0.532,435 -0.483,436 -0.702,438 -1.181,439 -0.486,440 12.49,441 0.446,442 1.039,443 0.037,444 38,445 1.357,446 19.5,447 0.696,448 18.5,449 0.661,450 20.581,451 0.735,452 30.11,453 0.772,454 34.157,455 1.22,456 7.894,457 0.282,458 5.324,459 0.19,460 0.189,461 0.04,462 0.44,463 3,466 0.675,467 0.85,468 0.563,469 0.894,470 0.652,471 0.755,472 0.515,473 0.661,474 0.546,475 0.756,476 0.445,477 0.72,478 0.702,479 0.955,480 0.673,481 1.102,482 0.672,483 0.977,484 1.051,485 0.93,486 1.025,487 1,488 1.09,489 1,490 1.277,491 1.159,492 1.148,493 1.041,494 1.303,495 1.002,496 0.859,497 0.864,498 0.972,499 0.976,500 0.885,501 1.026,502 0.899,503 0.775,504 1.057,505 0.889,506 0.943,507 0.992,508 0.782,509 1.145,510 0.875,511 1.235,512 0.782,513 1.198,514 7,515 0.167,516 4.444,517 3.556,518 2.004,519 1.772,520 0.761,521 0.532,522 0.413,523 0.215,524 8591,525 36803,526 2.022,527 28.2,529 9,532 2,536 1.714,537 1.816,538 3.288,539 0.318,541 1,545 72.611,546 1.862,547 4.073,548 4.593,549 4.99,550 5.042,551 5.042,552 2.771,553 4.352,554 4.777,555 3.445,556 1302.36,557 8.327,558 16262.9,560 1,562 1,563 206.131,564 1.728,565 4.691,566 0.226,567 0.01,568 0.093,569 0.07,570 0.04,571 0.039,572 0.021,573 0.017,574 0.015,575 0.01,576 0.541,577 0.5,578 1,579 1.115,580 137.678,581 -0.08,582 -0.016,583 -0.016,584 0.046,585 -0.109,586 0.063,587 0.299,588 0.325,589 0.164,590 0.208,591 0.308,592 0.132,593 -0.044,594 -0.159,595 0.041,596 -0.17,597 -0.012,598 -0.077,599 -0.14,600 -0.001,601 -0.141,602 -0.067,603 -0.158,604 -0.098,605 -0.219,606 -0.118,607 -0.193,608 -0.088,609 -0.216,610 -0.097,611 0.049,612 -0.017,613 0.04,614 -0.001,615 0.048,616 0.009,617 0.019,618 0.147,619 -0.065,620 0.057,621 -0.016,622 -0.008,623 0.187,624 -0.194,625 0.163,626 -0.229,627 0.233,628 -0.146,629 5.895,630 5.729,631 0.643,632 23.821,633 1.06,634 1.137,635 2.852,636 8.132,637 0.698,638 3.466,639 3.892,640 4.22,641 4.554,642 4.804,643 4.997,644 5.226,645 5.352,646 5.434,647 5.545,648 5.938,649 0.723,650 388.32,651 3.466,652 5.069,653 5.964,654 6.901,655 7.818,656 8.759,657 9.685,658 10.628,659 11.56,660 12.503,661 5.1,669 1,670 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,690 1,696 1,699 39,700 19,701 2,702 31,704 42,705 19,706 14,707 6,708 6,709 3,710 4,711 6,715 1,718 1,721 17,722 2,724 3,728 2,730 1,731 3,733 1,734 3,736 11,737 8,738 2,739 9,743 2,747 0.5,748 4,756 1,759 2,760 2,762 2,777 2,781 1,783 3,785 28,788 1,791 1,795 1,800 3,801 10.3,803 1,804 2,806 1,808 15.417,809 7.579,810 5.917,811 2.132,812 3.872,813 1.486,814 1.002,815 4.055,816 11.844,817 3.761,818 4.451,819 5.142,820 5.812,821 6.392,822 6.843,823 7.365,824 7.786,825 8.108,826 8.528,827 0.857,828 51,829 11.009,831 5.592,832 8.592,833 18.334,835 15.396,837 3.092,838 86.583,842 105.94,843 110.798,844 33.571,846 103.973,847 44.88,849 110.798,850 209.913,851 78.451,852 10.883,854 56.857,855 108.055,856 107.523,857 2.144,858 105.94,859 7.76,860 105.94,861 144.369,862 148.853,865 105.94,866 148.853,869 41.331,870 103.038,873 150.82,874 137.544,875 110.798,878 113.699,879 35.298,880 67.741,881 16.786,882 165.639,883 105.94,884 182.424,885 110.798,887 0.608,888 0.365,889 0.196,890 0.107,891 26,892 13,893 0.071,894 3,895 2,896 1.222,897 3.699,898 264.004,899 0.222,900 18,901 127.851,904 18.268,905 6.215,906 2.812,907 -0.329,908 165.639,909 7.529,911 2.294,914 -1.182,916 59.469,917 399.162,918 42,922 24.388,924 4.153,925 -1.399,926 41.353,927 44.345,928 0.352,929 0.771,930 0.869,931 0.944,932 0.954,933 0.954,934 5.056,935 1.561,936 6.033,937 5.161,938 4.575,939 5.139,940 3.302,941 6.976,942 4.489,943 6.337,944 1.38,945 7.687,946 4.798,947 4.511,948 5.207,949 3.903,950 8.238,951 4.322,952 7.707,953 1.348,954 9.445,955 3.483,956 6.344,957 7.467,958 5.489,959 11.338,960 6.173,961 9.114,962 0.877,963 11.263,964 3.334,965 7.048,966 8.326,967 6.69,968 13.368,969 6.785,970 10.552,971 0.553,972 13.117,973 2.291,974 8.449,975 10.123,976 8.072,977 16.057,978 8.183,979 12.012,980 0.196,981 14.997,982 1.554,983 9.458,984 11.342,985 9.388,986 18.377,987 9.121,988 13.49,989 -0.192,990 16.894,991 0.263,992 10.721,993 12.965,994 10.737,995 20.941,996 10.362,997 3.467,998 -0.483,999 18.805,1000 -0.503,1001 11.85,1002 14.351,1003 12.074,1004 23.375,1005 11.435,1006 3.268,1007 12.729,1008 20.727,1009 -1.181,1010 13.071,1011 15.909,1012 13.417,1013 25.903,1014 12.625,1015 2.98,1016 11.707,1017 22.657,1018 4.721,1019 14.249,1020 17.373,1021 14.758,1022 28.384,1023 13.756,1024 2.694,1025 10.226,1026 24.595,1027 4.196,1028 15.46,1029 18.91,1030 16.1,1031 30.903,1032 14.932,1033 2.223,1034 8.554,1035 26.538,1036 3.68,1037 16.659,1038 20.41,1039 17.441,1040 33.406,1041 16.088,1042 1.914,1043 7.613,1044 28.486,1045 3.413,1046 17.871,1047 21.943,1048 18.783,1049 35.925,1050 17.264,1051 1.733,1052 5.798,1053 30.438,1054 2.853,1055 19.081,1056 23.462,1057 20.124,1058 38.439,1059 18.434,1060 8411,1061 17527,1062 19.709,1063 27.21,1064 49.483,1065 50.414,1066 51.699,1067 48.598,1068 48.39,1069 64.223,1070 12.199,1071 155.027,1072 46.118,1073 5.66,1074 6.471,1075 6.865,1076 5.451,1077 5.467,1078 7.721,1079 5.5,1080 20.717,1081 5.338,1082 17.878,1083 1.596,1084 1.626,1085 1.668,1086 1.568,1087 1.561,1088 2.072,1089 0.394,1090 5.001,1091 1.488,1092 4.168,1093 4.191,1094 4.148,1095 4.08,1096 8.513,1097 4.093,1098 3.976,1099 3.993,1100 3.948,1101 3.899,1102 7.999,1103 3.907,1104 3.584,1105 3.598,1106 3.569,1107 3.425,1108 7.999,1109 3.449,1110 3.443,1111 3.464,1112 3.426,1113 3.203,1114 7.434,1115 3.243,1116 3.278,1117 3.329,1118 3.225,1119 3.025,1120 7.427,1121 3.064,1122 3.215,1123 3.269,1124 3.096,1125 2.949,1126 6.473,1127 2.973,1128 2.931,1129 2.987,1130 2.807,1131 2.769,1132 4.891,1133 2.764,1134 2.778,1135 2.801,1136 2.661,1137 2.526,1138 4.743,1139 2.557,1140 0.155,1141 0.144,1142 0.236,1143 0.142,1144 0.112,1145 4.812,1146 0.152,1147 4.471,1148 0.123,1149 7.322,1150 0.411,1151 4.41,1152 0.108,1153 3.467,1154 4.721,1155 3.825,1156 12.729,1157 3.338,1158 1.95,1159 1.932,1160 2.016,1161 2.036,1162 1.184,1163 2.028,1164 1.888,1165 1.874,1166 1.965,1167 1.971,1168 1.09,1169 1.967,1170 1.587,1171 1.566,1172 1.627,1173 1.776,1174 0.731,1175 1.733,1176 1.288,1177 1.268,1178 1.591,1179 1.601,1180 0.581,1181 1.586,1182 1.182,1183 1.134,1184 1.324,1185 1.448,1186 0.346,1187 1.404,1188 1.032,1189 0.991,1190 1.155,1191 1.415,1192 0.244,1193 1.306,1194 0.987,1195 0.941,1196 1.106,1197 1.197,1198 0.147,1199 1.176,1200 0.886,1201 0.84,1202 1.07,1203 1.063,1204 0.139,1205 1.067,1206 4.143,1208 5.541,1209 3.045,1210 7.127,1211 5.533,1212 8.797,1213 7.735,1214 10.514,1216 1.206,1218 39.716,1221 10.233,1224 4.62,1228 -4.645,1231 28.213,1232 72.611,1233 158.846,1234 179.111,1235 194.621,1236 196.621,1237 196.621,1238 80.204,1239 7.972,1240 92.28,1241 92.28,1242 22,1243 12.998,1244 4.322,1245 3.585,1246 42.308,1247 99,1248 113,1249 0.216,1250 167.346,1251 304.09,1252 400.083,1253 29920,1254 7.7,1255 20.215,1256 0.722,1257 0.508,1258 17.715,1259 14.217,1260 13.219,1261 0.426,1262 0.258,1263 7.798,1264 12.453,1265 7.695,1266 6.287,1267 12.007,1268 7.99,1269 13.163,1270 0.274,1271 0.127,1272 11.168,1273 6.088,1274 10.978,1275 0.164,1276 0.067,1277 10.224,1278 4.467,1279 9.467,1280 0.101,1281 0.034,1282 8.685,1283 3.209,1284 7.668,1285 0.063,1286 0.018,1287 7.065,1288 2.13,1289 0.33,1290 85.225,1291 0.225,1292 26.057,1293 0.622,1294 158,1295 731.668,1296 188.646,1297 616.127,1298 802.11,1299 568,1300 194,1301 560.919,1302 218.331,1303 547.985,1304 834.13,1305 513,1306 5} {0 CHEMBL2348723,1 1.644,2 6.471,3 1.216,4 1.478,5 62.444,6 7.709,7 0.333,8 3.502,9 3.628,10 3.082,11 3.019,12 4.703,13 3.012,14 3.994,15 4.165,16 3.433,17 3.379,18 5.195,19 3.351,20 4.239,21 4.43,22 3.522,23 3.459,24 5.528,25 3.432,26 4.26,27 4.489,28 3.353,29 3.296,30 5.543,31 3.278,32 4.027,33 4.252,34 3.196,35 3.146,36 5.293,37 3.112,38 3.898,39 4.104,40 2.96,41 3.047,42 5.148,43 3,44 3.823,45 4.035,46 2.717,47 2.988,48 5.146,49 2.867,50 3.765,51 4.056,52 2.08,53 2.736,54 4.704,55 2.493,56 0.07,57 0.456,58 5.714,59 2.535,60 6.654,61 3.272,62 0.194,63 0.686,64 10.571,65 4.227,66 23.191,67 5.787,68 0.262,69 0.802,70 14.58,71 4.971,72 38.286,73 6.833,74 0.424,75 0.75,76 16.583,77 4.043,78 60.864,79 5.846,80 0.299,81 0.612,82 12.616,83 3.57,84 34.586,85 5.227,86 0.247,87 0.526,88 10.898,89 3.188,90 36.827,91 4.275,92 0.255,93 0.473,94 10.033,95 3.561,96 48.951,97 4.853,98 0.144,99 0.383,100 10.671,101 3.836,102 24.667,103 5.591,104 20,105 25,106 0.316,107 0.663,108 0.753,109 0.791,110 0.817,111 0.83,112 2.909,113 0.896,114 -3.75,115 -3.71,116 -3.53,119 40,120 2,122 1,133 4,134 2,147 3,157 1,159 8,162 3,164 3,166 3,168 7,171 1,172 6,175 1,176 6,178 3,181 1,182 6,187 4,190 1,194 6,197 2,199 3,202 4,206 2,211 2,213 6,216 1,217 2,224 5,229 2,237 2,255 298,256 11.121,257 11.121,258 11.121,259 11.121,260 11.121,261 9.926,262 11.558,263 6.511,264 11.199,265 8.84,266 8.84,267 8.84,268 8.84,269 8.84,270 6.937,271 12.648,272 3.047,273 8.92,274 3.263,275 1.455,276 0.984,277 0.784,278 0.65,279 0.584,280 3.557,284 1,285 224,286 3,289 76.929,292 66.26,295 1.031,296 20.337,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 37.5,307 110,308 4.479,309 3.716,310 6.675,311 4.122,312 3.132,313 4.088,314 1.909,315 10.744,316 3.099,317 3.898,318 3.596,319 5.82,320 3.662,321 2.654,322 3.126,323 0.98,324 7.815,325 2.665,326 3.563,327 2.948,328 5.514,329 3.204,330 2.208,331 2.768,332 0.635,333 6.76,334 2.188,335 3.326,336 2.204,337 4.666,338 2.859,339 1.876,340 2.581,342 4.83,343 1.835,344 2.737,345 1.777,346 3.787,347 2.283,348 1.291,349 1.802,351 2.878,352 1.279,353 2.534,354 1.342,355 3.595,356 2.148,357 1.149,358 1.506,360 2.773,361 1.141,362 2.318,363 1.269,364 3.426,365 1.94,366 0.926,367 1.197,369 2.168,370 0.933,371 1.559,372 0.983,373 2.767,374 1.251,375 0.213,376 0.259,378 0.485,379 0.218,380 0.944,381 0.394,382 2.375,383 0.541,384 -0.485,385 -0.631,386 -1.191,387 -0.492,388 0.78,389 -0.418,390 2.166,391 0.278,392 -0.705,393 -0.951,394 -1.827,395 -0.686,396 0.612,397 -0.453,398 2,399 0.111,400 -0.904,401 -1,402 -2,403 -0.916,404 0.075,405 -0.813,406 1.452,408 -1,409 -1.373,411 -2.179,412 -1,414 -1,415 1.41,416 -0.253,417 -1.283,418 -1.675,420 -3.233,421 -1.305,422 -0.235,423 -1.073,424 1.221,425 -0.477,426 -1.502,427 -1.82,429 -4.269,430 -1.552,431 -0.401,432 -1.376,433 1.098,434 -0.658,435 -1.658,436 -2.12,437 -0.348,438 -5.251,439 -1.671,440 7.867,441 0.463,442 0.494,443 0.029,444 21,445 1.235,446 10.5,447 0.618,448 10.5,449 0.618,450 11.767,451 0.692,452 18.533,453 0.618,454 14.232,455 0.837,456 4.227,457 0.249,458 3.865,459 0.227,460 0.212,462 0.381,466 0.636,467 1.152,468 0.756,469 1.033,470 0.552,471 0.929,472 0.455,473 1.11,474 0.697,475 1.034,476 0.533,477 0.938,478 0.947,479 1.256,480 0.885,481 1.138,482 0.967,483 1.027,484 1.531,485 0.986,486 1.107,487 0.788,488 1.414,489 0.834,490 1.007,491 1.025,492 0.94,493 0.919,494 0.954,495 0.904,496 1.525,497 0.864,498 1.293,499 0.945,500 1.426,501 1.032,502 0.87,503 0.957,504 1.29,505 1.245,506 0.805,507 1.334,508 0.591,509 0.997,510 1.051,511 1.299,512 0.717,513 1.298,514 3.5,516 2.444,517 1.125,518 0.947,519 0.549,520 0.367,521 0.212,522 0.041,524 2020,525 6244,526 1.96,527 43.3,528 6,529 4,532 2,533 1,536 1.574,537 1.789,538 2.767,539 0.468,541 1,543 1,545 49.327,546 1.644,547 3.452,548 3.923,549 4.123,550 4.257,551 4.323,552 2.184,553 3.735,554 4.06,555 2.858,556 388.709,557 6.888,558 3485.14,560 1,563 147.207,564 1.549,565 3.989,566 0.194,568 0.098,569 0.043,570 0.045,571 0.03,572 0.026,573 0.021,574 0.01,576 0.469,577 0.67,578 1,579 1.453,580 69.148,581 -0.009,582 0.077,583 0.02,584 0.031,585 -0.055,586 0.03,587 0.236,588 -0.004,589 0.156,590 0.005,591 0.078,592 0.046,593 0.019,594 -0.237,595 0.044,596 -0.157,597 -0.003,598 -0.075,599 -0.251,600 -0.008,601 -0.076,602 0.08,603 -0.163,604 0.05,605 0.03,606 -0.027,607 0.045,608 -0.004,609 0.018,610 0.023,611 -0.354,612 0.145,613 -0.321,614 -0.018,615 -0.222,616 -0.124,617 0.051,618 -0.009,619 -0.353,620 -0.244,621 0.167,622 -0.35,623 0.081,624 -0.246,625 -0.042,626 -0.272,627 0.033,628 -0.204,629 1.928,630 4.598,631 0.588,632 9.917,633 1.013,634 1.133,635 2.519,636 6.345,637 0.658,638 2.944,639 3.258,640 3.497,641 3.689,642 3.932,643 3.892,644 3.912,645 3.85,646 3.714,647 3.219,648 4.19,649 0.638,650 231.28,651 2.944,652 4.466,653 5.303,654 6.172,655 7.036,656 7.91,657 8.783,658 9.66,659 10.537,660 11.416,661 10,668 2,670 1,675 4,680 2,682 6,699 30,700 9,701 1,702 18,704 31,705 12,706 6,707 2,708 4,709 2,710 2,711 3,715 2,721 9,722 3,723 1,724 3,728 2,730 1,731 3,733 1,736 13,737 5,738 2,739 5,743 3,745 1,747 0.5,748 2,760 2,763 1,766 1,777 1,781 2,785 17,790 2,793 1,801 6.7,804 2,808 9.5,809 5.95,810 3.778,811 1.808,812 1.739,813 1.287,814 0.945,815 3.136,816 7.794,817 3.219,818 3.75,819 4.259,820 4.753,821 5.257,822 5.362,823 5.645,824 5.742,825 5.974,826 5.652,827 1,828 26,829 6.266,831 2.642,832 8.069,833 11.58,835 9.159,837 2.569,838 43.667,839 0.001,842 129.482,843 73.664,844 52.562,846 50.29,849 73.664,850 179.772,851 52.562,852 17.65,853 35.899,854 37.905,855 62.027,856 23.034,858 129.482,860 129.482,861 126.226,862 50.29,865 129.482,866 50.29,869 70.212,870 56.013,873 129.482,874 102.852,875 73.664,878 129.482,879 18.108,880 55.555,881 35.899,882 66.953,883 129.482,884 102.852,885 73.664,887 0.586,888 0.342,889 0.167,890 0.097,891 12,892 6,893 0.065,894 2,895 1,896 1.2,897 2.828,898 116.121,899 0.2,900 10,901 67.487,904 11.648,905 4.577,906 2.305,908 102.852,909 7.022,914 1.159,916 35.899,917 305.998,918 24,922 23.118,924 3.859,925 -0.003,926 30.378,927 33.99,928 0.335,929 0.703,930 0.8,931 0.84,932 0.867,933 0.881,934 4.449,935 0.213,936 5.303,937 2.168,938 3.932,939 4.431,940 2.271,941 6.116,942 3.915,943 5.653,944 -0.485,945 6.876,946 0.485,947 3.611,948 4.248,949 1.593,950 7.071,951 3.606,952 6.959,953 -0.705,954 8.554,955 -1.191,956 5.525,957 6.534,958 3.024,959 10.159,960 5.489,961 8.299,962 -0.904,963 10.29,964 -1.827,965 5.994,966 7.141,967 3.032,968 11.935,969 5.973,970 9.67,971 -1,972 12.063,973 -2,974 7.425,975 8.946,976 4.08,977 14.562,978 7.374,979 11.064,980 -1.283,981 13.861,982 -2.179,983 8.249,984 9.936,985 4.415,986 16.677,987 8.206,988 12.476,989 -1.502,990 15.677,991 -3.233,992 9.491,993 11.535,994 5.27,995 19.144,996 9.424,997 3.132,998 -1.658,999 17.506,1000 -4.269,1001 10.479,1002 12.725,1003 5.76,1004 21.406,1005 10.413,1006 2.654,1007 10.744,1008 19.347,1009 -5.251,1010 11.647,1011 14.228,1012 6.517,1013 23.814,1014 11.563,1015 2.208,1016 7.815,1017 21.195,1018 4.088,1019 12.712,1020 15.521,1021 7.081,1022 26.139,1023 12.622,1024 1.876,1025 6.76,1026 23.051,1027 3.126,1028 13.854,1029 16.977,1030 7.787,1031 28.526,1032 13.748,1033 1.291,1034 4.83,1035 24.912,1036 2.768,1037 14.955,1038 18.325,1039 8.39,1040 30.879,1041 14.84,1042 1.149,1043 2.878,1044 26.779,1045 2.581,1046 16.089,1047 19.757,1048 9.069,1049 33.257,1050 15.96,1051 0.926,1052 2.773,1053 28.65,1054 1.802,1055 17.207,1056 21.134,1057 9.692,1058 35.622,1059 17.068,1060 2132,1061 3841,1062 11.444,1063 19.733,1064 27.495,1065 28.934,1066 28.08,1067 26.936,1068 26.899,1069 34.656,1070 7.049,1071 76.905,1072 26.716,1073 5.358,1074 5.716,1075 6.355,1076 5.16,1077 5.132,1078 7.088,1079 3.312,1080 17.922,1081 5.099,1082 9.517,1083 1.527,1084 1.607,1085 1.56,1086 1.496,1087 1.494,1088 1.925,1089 0.392,1090 4.273,1091 1.484,1092 3.994,1093 4.024,1094 3.957,1095 3.905,1096 7.431,1097 3.911,1098 3.717,1099 3.765,1100 3.613,1101 3.559,1102 7.426,1103 3.56,1104 3.414,1105 3.483,1106 3.332,1107 3.187,1108 4.84,1109 3.216,1110 3.191,1111 3.239,1112 3.102,1113 2.958,1114 4.492,1115 2.987,1116 2.886,1117 3.009,1118 2.769,1119 2.655,1120 4.147,1121 2.673,1122 2.874,1123 2.931,1124 2.499,1125 2.618,1126 3.747,1127 2.57,1128 2.601,1129 2.654,1130 2.486,1131 2.353,1132 3.562,1133 2.38,1134 2.569,1135 2.635,1136 2.453,1137 2.303,1138 3.467,1139 2.346,1140 0.249,1141 0.206,1142 0.371,1143 0.229,1144 0.174,1145 4.479,1146 0.227,1147 3.716,1148 0.106,1149 6.675,1150 0.597,1151 4.122,1152 0.172,1153 3.132,1154 4.088,1155 1.909,1156 10.744,1157 3.099,1158 1.946,1159 1.922,1160 2.031,1161 2.06,1162 1.143,1163 2.048,1164 1.689,1165 1.636,1166 1.928,1167 1.875,1168 1.105,1169 1.891,1170 1.321,1171 1.261,1172 1.464,1173 1.589,1174 0.469,1175 1.565,1176 1.079,1177 1.04,1178 1.417,1179 1.378,1180 0.43,1181 1.337,1182 0.934,1183 0.804,1184 1.246,1185 1.239,1186 0.256,1187 1.308,1188 0.824,1189 0.769,1190 1.085,1191 1.067,1192 0.065,1193 1.075,1194 0.522,1195 0.46,1196 0.81,1197 0.798,1199 0.8,1200 0.459,1201 0.403,1202 0.684,1203 0.783,1205 0.749,1206 3.611,1208 4.92,1210 6.438,1212 8.054,1214 9.723,1216 3.59,1223 5.058,1226 -0.137,1231 19.128,1232 49.327,1233 103.555,1234 117.697,1235 123.697,1236 127.697,1237 129.697,1238 31.804,1239 6.054,1240 74.85,1241 74.85,1242 12,1243 11.953,1244 3.322,1245 2.807,1246 28.255,1247 42,1248 38,1249 0.347,1250 121.903,1251 215.28,1252 289.203,1253 2602,1255 12.414,1256 0.73,1257 0.568,1258 12.414,1259 9.65,1260 8.092,1261 0.45,1262 0.299,1263 5.301,1264 7.77,1265 5.118,1266 4.319,1267 8.092,1268 5.376,1269 7.384,1270 0.295,1271 0.164,1272 7.384,1273 4.091,1274 6.017,1275 0.188,1276 0.077,1277 6.017,1278 2.462,1279 4.427,1280 0.114,1281 0.038,1282 4.427,1283 1.471,1284 3.786,1285 0.076,1286 0.02,1287 3.786,1288 0.998,1289 0.515,1290 51.025,1291 0.296,1292 16.768,1293 1.039,1294 86,1295 287.782,1296 95.979,1297 277.238,1298 369.61,1299 256,1300 100,1301 267.978,1302 110.148,1303 269.73,1304 391.34,1305 253,1306 5} {0 CHEMBL2348724,1 1.7,2 4.333,3 0.065,4 0.004,5 43.798,6 8.483,7 0.462,8 3.1,9 3.229,10 2.761,11 2.636,12 4.401,13 2.654,14 3.507,15 3.643,16 3.096,17 2.987,18 4.829,19 2.985,20 3.708,21 3.876,22 3.139,23 3.032,24 5.075,25 3.024,26 3.634,27 3.835,28 2.836,29 2.77,30 4.973,31 2.751,32 3.439,33 3.707,34 2.206,35 2.309,36 4.785,37 2.214,38 2.783,39 3.11,40 0.655,41 1.446,42 3.773,43 1.215,44 1.298,45 1.682,46 0.021,47 0.361,48 1.386,49 0.189,56 0.078,57 0.315,58 3.081,59 1.368,60 8.288,61 1.58,62 0.123,63 0.456,64 4.905,65 2.346,66 11.877,67 2.885,68 0.184,69 0.509,70 7.05,71 2.796,72 22.605,73 3.505,74 0.167,75 0.438,76 7.11,77 2.25,78 19.267,79 2.869,80 0.227,81 0.298,82 7.524,83 1.898,84 34.631,85 2.689,86 0.149,87 0.115,88 4.899,89 1.101,90 24.742,91 1.57,92 0.019,93 0.017,94 1.162,95 0.276,96 3.053,97 0.509,104 5,105 18,106 0.366,107 0.657,108 0.756,109 0.824,110 0.869,111 0.892,112 2.603,113 0.812,114 -3.02,115 -3.02,116 -2.91,119 42.1,133 4,134 2,147 2,152 1,153 1,154 1,157 1,159 6,162 2,163 1,164 2,166 2,168 6,170 1,171 1,172 4,175 1,176 4,177 1,178 3,180 2,182 4,187 4,192 2,194 2,196 1,197 1,199 2,204 1,255 88,256 8.052,257 8.052,258 8.052,259 8.052,260 8.052,261 6.935,262 7.214,263 4.743,264 8.125,265 6.389,266 6.389,267 6.389,268 6.389,269 6.389,270 4.738,271 8.282,272 2.214,273 6.472,274 2.548,275 1.198,276 0.737,277 0.421,278 0.211,279 0.105,280 3.233,285 108,286 1.414,289 44.768,292 38.619,295 0.667,296 12.697,299 1,300 0.67,301 0.83,302 0.4,304 1,305 0.7,306 26.5,307 52,308 4.46,309 3.614,310 6.638,311 4.097,312 3.103,313 4.077,314 0.98,315 10.551,316 3.082,317 3.604,318 2.938,319 5.491,320 3.206,321 2.214,322 2.854,323 0.6,324 6.719,325 2.187,326 3.327,327 2.183,328 4.569,329 2.843,330 1.864,331 2.587,333 4.657,334 1.818,335 2.734,336 1.341,337 3.618,338 2.274,339 1.283,340 1.797,342 2.849,343 1.27,344 2.524,345 1.269,346 3.595,347 1.997,348 1,349 1.482,351 2.449,352 0.993,353 1.486,354 0.834,355 2.721,356 1.218,357 0.195,358 0.23,360 0.418,361 0.197,362 0.859,363 -0.178,364 2.343,365 0.458,366 -0.539,367 -0.701,369 -1.324,370 -0.534,371 0.618,372 -0.418,373 2,374 0.12,375 -0.888,376 -1.204,378 -2.127,379 -0.883,380 0.413,381 -0.83,382 1.47,383 -0.031,384 -1,385 -1.439,386 -2.449,387 -0.969,388 -0.217,389 -1.196,390 1.382,391 -0.564,392 -1.557,393 -1.942,394 -3.898,395 -1.543,396 -0.48,397 -1.616,398 1.166,399 -0.682,400 -1.675,401 -2.208,402 -5.367,403 -1.681,404 -0.5,405 -1.841,406 0.686,407 -1,408 -2,409 -2.531,410 -0.6,411 -5.395,412 -1.935,413 -0.827,414 -2,415 0.321,416 -1.036,417 -2,418 -3,419 -0.98,420 -7.083,421 -2,440 5.533,441 0.461,442 0.298,443 0.025,444 16.5,445 1.375,446 9,447 0.75,448 7.5,449 0.625,450 5.789,451 0.482,452 12.467,453 0.656,454 9.568,455 0.797,456 3.555,457 0.296,458 2.232,459 0.186,460 0.133,462 0.361,466 0.769,467 0.846,468 0.718,469 0.727,470 0.729,471 0.693,472 0.507,473 1.062,474 0.7,475 1.023,476 0.562,477 0.932,478 0.817,479 1.106,480 0.859,481 1.095,482 0.867,483 1.016,484 1.268,485 1.348,486 1.211,487 1.299,488 1.149,489 1.243,490 1.291,491 0.924,492 1.315,493 1.021,494 1.231,495 1.143,496 1.804,497 0.345,498 1.451,499 0.536,500 2.01,501 0.869,514 2,516 1.778,517 1,518 0.667,519 0.125,524 747,525 2556,526 2.04,527 36.8,529 4,532 3,536 1.465,537 1.895,538 2.281,539 1.555,545 32.304,546 1.7,547 3.05,548 3.511,549 3.827,550 4.037,551 4.143,552 1.459,553 2.585,554 3.566,555 2.213,556 146.078,557 5.893,558 1037.22,563 80.711,564 1.459,565 3.507,566 0.154,568 0.099,569 0.056,570 0.056,571 0.025,576 0.389,577 0.67,578 1,579 0.73,580 40.385,581 -0.089,582 0.326,583 -0.021,584 0.217,585 -0.165,586 0.142,587 0.181,588 0.019,589 0.043,590 -0.038,591 0.05,592 -0.037,593 0.077,594 -0.115,595 0.001,596 -0.133,597 0.034,598 -0.099,599 -0.254,600 -0.403,601 -0.272,602 -0.407,603 -0.128,604 -0.348,605 -0.108,606 -0.115,607 -0.166,608 -0.12,609 0.006,610 -0.146,611 -0.402,612 0.268,613 -0.072,614 0.443,615 -0.419,616 0.288,617 0.599,618 0.401,619 1.662,620 1.16,621 0.513,622 1.571,629 1.875,630 4.157,631 0.833,632 4,633 1.021,634 1.133,635 1.79,636 3.204,637 0.684,638 2.639,639 2.944,640 3.219,641 3.434,642 3.611,643 3.367,644 3.219,645 3.045,646 2.996,647 1.946,648 2.923,649 0.675,650 161.18,651 2.639,652 4.143,653 4.99,654 5.861,655 6.727,656 7.6,657 8.471,658 9.344,659 10.216,660 11.089,661 15.8,662 1,668 1,670 1,675 4,680 2,682 6,699 19,700 8,701 1,702 13,704 20,705 8,706 6,707 2,708 4,709 2,710 2,711 3,721 8,724 2,728 1,730 1,731 2,736 7,737 4,738 3,739 4,743 3,745 1,747 0.5,748 1,760 2,763 1,772 1,777 1,785 12,786 1,790 1,801 5.3,804 1,808 6.333,809 3.283,810 2.667,811 0.975,812 1.751,813 1.322,814 1.01,815 1.502,816 7.194,817 2.944,818 3.512,819 4.073,820 4.604,821 5.093,822 5.087,823 5.286,824 5.299,825 5.577,826 4.868,827 0.667,828 18,829 4.373,830 0.006,831 1.859,832 8.097,833 8.015,834 0.002,835 6.378,836 -0.002,837 2.597,838 31.167,839 0.006,842 47.084,843 51.309,844 67.448,846 25.145,849 51.309,850 72.229,851 67.448,853 50.785,854 37.905,855 32.177,856 23.034,858 47.084,860 47.084,861 118.757,862 25.145,865 47.084,866 25.145,869 67.448,870 51.309,873 47.084,874 92.593,875 51.309,878 47.084,879 13.404,880 37.905,881 17.888,882 74.705,883 47.084,884 92.593,885 51.309,887 0.582,888 0.354,889 0.192,890 0.103,891 10,892 4,895 1,896 1.2,897 2.367,898 72.071,899 0.2,900 10,901 43.02,904 7.159,905 2.518,906 1.068,908 92.593,909 7.093,914 1.27,916 50.785,917 190.986,918 18,922 11.157,924 3.647,925 0.144,926 19.4,927 21.535,928 0.4,929 0.718,930 0.827,931 0.901,932 0.95,933 0.975,934 4.151,935 -0.888,936 4.977,937 -1.324,938 3.611,939 4.19,940 1.292,941 5.796,942 3.589,943 5.362,944 -1,945 6.547,946 -2.127,947 3.219,948 3.951,950 6.763,951 3.192,952 6.673,953 -1.557,954 8.226,955 -2.449,956 5.198,957 6.346,958 1.132,959 9.878,960 5.158,961 8.021,962 -1.675,963 9.969,964 -3.898,965 5.638,966 6.93,968 11.687,969 5.6,970 9.401,971 -2,972 11.753,973 -5.367,974 7.111,975 8.802,976 1.052,977 14.323,978 7.058,979 10.806,980 -2,981 13.564,982 -5.395,983 7.938,984 9.791,986 16.459,987 7.887,988 12.229,990 15.394,991 -7.083,992 9.204,993 11.428,994 1.005,995 18.926,996 9.141,997 3.103,999 17.238,1001 10.206,1002 12.623,1004 21.191,1005 10.142,1006 2.214,1007 10.551,1008 19.092,1010 11.39,1011 14.146,1012 0.972,1013 23.594,1014 11.316,1015 1.864,1016 6.719,1017 20.954,1018 4.077,1019 12.467,1020 15.444,1022 25.912,1023 12.39,1024 1.283,1025 4.657,1026 22.823,1027 2.854,1028 13.619,1029 16.91,1030 0.944,1031 28.288,1032 13.534,1033 1,1034 2.849,1035 24.696,1036 2.587,1037 14.728,1038 18.26,1040 30.628,1041 14.637,1042 0.195,1043 2.449,1044 26.572,1045 1.797,1046 15.868,1047 19.698,1048 0.918,1049 32.993,1050 15.769,1051 -0.539,1052 0.418,1053 28.452,1054 1.482,1055 16.99,1056 21.074,1058 35.342,1059 16.886,1060 801,1061 1541,1062 8.553,1063 12.994,1064 19.654,1065 20.574,1066 20.13,1067 19.363,1068 19.319,1069 26.052,1070 3.16,1071 55.287,1072 19.093,1073 5.287,1074 5.614,1075 6.317,1076 5.133,1077 5.103,1078 7.077,1079 1.96,1080 17.634,1081 5.082,1082 4.911,1083 1.512,1084 1.583,1085 1.548,1086 1.489,1087 1.486,1088 2.004,1089 0.243,1090 4.253,1091 1.469,1092 3.984,1093 4.013,1094 3.945,1095 3.9,1096 7.429,1097 3.905,1098 3.429,1099 3.502,1100 3.352,1101 3.194,1102 5.152,1103 3.226,1104 3.172,1105 3.224,1106 3.107,1107 2.944,1108 4.652,1109 2.972,1110 2.74,1111 2.839,1112 2.557,1113 2.504,1114 4.295,1115 2.514,1116 2.569,1117 2.654,1118 2.455,1119 2.343,1120 3.64,1121 2.366,1122 2.369,1123 2.448,1124 2.178,1125 1.878,1126 3.388,1127 1.933,1128 1.741,1129 1.89,1130 1.43,1131 1.298,1132 2.963,1133 1.293,1134 1.472,1135 1.687,1136 0.903,1137 1.044,1138 1.92,1139 0.967,1140 0.343,1141 0.278,1142 0.511,1143 0.315,1144 0.239,1145 4.46,1146 0.314,1147 3.614,1148 0.075,1149 6.638,1150 0.812,1151 4.097,1152 0.237,1153 3.103,1154 4.077,1155 0.98,1156 10.551,1157 3.082,1158 1.942,1159 1.919,1160 2.028,1161 2.052,1162 1.121,1163 2.042,1164 1.329,1165 1.266,1166 1.483,1167 1.607,1168 0.384,1169 1.582,1170 1.062,1171 1.02,1172 1.251,1173 1.366,1174 0.242,1175 1.329,1176 0.716,1177 0.623,1178 1.064,1179 1,1181 1.034,1182 0.518,1183 0.435,1184 0.807,1185 0.784,1187 0.796,1188 0.194,1189 0.08,1190 0.44,1191 0.638,1193 0.584,1196 0.302,1197 0.167,1199 0.217,1202 0.284,1203 0.037,1205 0.137,1206 3.296,1208 4.595,1210 6.129,1212 7.771,1214 9.466,1220 5.544,1223 2.312,1231 12.833,1232 32.304,1233 57.956,1234 66.711,1235 72.711,1236 76.711,1237 78.711,1238 14.169,1239 5.442,1240 71.77,1241 71.77,1242 12,1243 11.63,1244 3.17,1245 2.585,1246 16.934,1247 22,1248 14,1249 0.444,1250 82.465,1251 139.93,1252 192.973,1253 1148,1255 8.552,1256 0.713,1257 0.52,1258 8.552,1259 6.242,1260 5.788,1261 0.445,1262 0.271,1263 3.463,1264 5.554,1265 3.409,1266 2.839,1267 5.788,1268 3.517,1269 5.144,1270 0.286,1271 0.138,1272 5.144,1273 2.484,1274 4.414,1275 0.184,1276 0.072,1277 4.414,1278 1.726,1279 3.555,1280 0.119,1281 0.038,1282 3.555,1283 1.136,1284 2.933,1285 0.081,1286 0.02,1287 2.933,1288 0.714,1289 0.617,1290 36.5,1291 0.342,1292 11.632,1293 1.467,1294 62,1295 205.026,1296 68.738,1297 201.384,1298 271.69,1299 186,1300 73,1301 200.933,1302 79.822,1303 203.334,1304 294.69,1305 191,1306 5.387} {0 CHEMBL2348725,1 1.618,2 8,3 1.751,4 3.064,5 73.415,6 8.558,7 0.545,8 3.564,9 3.67,10 3.244,11 3.166,12 4.827,13 3.17,14 4.006,15 4.125,16 3.583,17 3.522,18 5.307,19 3.508,20 4.252,21 4.419,22 3.654,23 3.585,24 5.559,25 3.567,26 4.216,27 4.4,28 3.533,29 3.399,30 5.582,31 3.404,32 4.103,33 4.302,34 3.37,35 3.252,36 5.473,37 3.252,38 3.921,39 4.106,40 3.183,41 3.164,42 5.24,43 3.15,44 3.775,45 3.936,46 3.125,47 3.138,48 5.242,49 3.104,50 3.731,51 3.929,52 2.83,53 3.073,54 4.86,55 2.971,56 0.076,57 0.461,58 4.52,59 2.44,60 6.09,61 2.703,62 0.175,63 0.699,64 7.557,65 3.99,66 14.049,67 4.661,68 0.241,69 0.853,70 12.317,71 5.322,72 32.149,73 6.352,74 0.304,75 0.824,76 12.775,77 4.507,78 37.749,79 5.069,80 0.366,81 0.719,82 12.461,83 4.025,84 42.498,85 4.567,86 0.257,87 0.579,88 10.159,89 3.605,90 40.561,91 3.878,92 0.239,93 0.507,94 7.757,95 3.241,96 45.229,97 3.695,98 0.116,99 0.479,100 7.751,101 3.528,102 13.208,103 4.416,104 5,105 30,106 0.3,107 0.513,108 0.619,109 0.742,110 0.835,111 0.871,112 3.058,113 0.831,114 -4.58,115 -4.5,116 -4.23,119 48.4,133 9,134 3,147 3,157 1,159 12,162 3,164 3,166 3,168 12,171 1,172 6,175 1,176 6,178 6,181 1,182 8,187 6,190 1,194 7,197 2,199 4,202 4,206 4,211 2,213 8,216 1,217 3,222 2,224 10,229 2,234 1,237 8,242 2,250 4,255 472,256 13.69,257 13.69,258 13.69,259 13.69,260 13.69,261 11.782,262 9.813,263 8.223,264 13.768,265 10.86,266 10.86,267 10.86,268 10.86,269 10.86,270 7.993,271 10.618,272 3.893,273 10.942,274 3.336,275 2.188,276 1.617,277 0.955,278 0.452,279 0.258,280 3.74,283 1,284 1,285 346,286 2.55,289 153.384,292 79.589,295 1.1,296 21.732,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 43.5,307 160,308 4.482,309 3.647,310 6.676,311 4.124,312 3.134,313 4.09,314 1.091,315 10.747,316 3.101,317 4.14,318 3.548,319 6.041,320 3.786,321 2.778,322 3.671,323 0.98,324 8.629,325 2.793,326 3.647,327 2.942,328 5.582,329 3.247,330 2.26,331 2.931,332 0.539,333 7.114,334 2.222,335 3.349,336 2.221,337 4.704,338 2.898,339 1.906,340 2.609,342 4.946,343 1.882,344 3.21,345 2.159,346 4.216,347 2.716,348 1.711,349 2.453,351 3.95,352 1.713,353 2.737,354 1.342,355 3.687,356 2.278,357 1.286,358 1.806,360 2.857,361 1.273,362 2.581,363 1.324,364 3.595,365 2.111,366 1.115,367 1.57,369 2.705,370 1.106,371 2.504,372 1.269,373 3.419,374 2,375 1,376 1.5,378 2.27,379 1,380 2.5,381 1,382 3.247,383 1.947,384 0.935,385 1.416,386 2.136,387 0.94,388 1.565,389 0.983,390 2.857,391 1.263,392 0.229,393 0.28,394 0.532,395 0.234,396 0.944,397 0.4,398 2.455,399 0.548,400 -0.473,401 -0.608,402 -1.167,403 -0.478,404 0.788,405 -0.405,406 2.295,407 0.292,408 -0.675,409 -0.887,411 -1.597,412 -0.649,413 0.732,414 -0.419,415 2,416 0.268,417 -0.773,418 -1.161,420 -1.831,421 -0.8,422 0.611,423 -0.691,424 1.689,425 0.111,426 -0.904,427 -1.382,429 -2.18,430 -0.916,431 0.5,432 -0.954,433 1.555,435 -1,436 -1.5,438 -2.347,439 -1,440 9.367,441 0.468,442 0.418,443 0.021,444 29,445 1.45,446 16.5,447 0.825,448 12.5,449 0.625,450 11.078,451 0.554,452 20.033,453 0.646,454 20.096,455 1.005,456 6.144,457 0.307,458 3.61,459 0.181,460 0.071,462 0.32,466 0.628,467 0.933,468 0.667,469 0.825,470 0.54,471 0.759,472 0.488,473 1.088,474 0.796,475 1.064,476 0.577,477 1.014,478 0.857,479 1.174,480 0.865,481 1.102,482 0.887,483 1.016,484 1.339,485 1.271,486 1.076,487 1.082,488 1.209,489 1.023,490 1.41,491 0.956,492 1.078,493 0.833,494 1.376,495 0.861,496 1.591,497 0.815,498 1.126,499 0.778,500 1.595,501 0.832,502 0.943,503 0.882,504 1.042,505 0.931,506 0.867,507 0.986,508 0.684,509 0.957,510 1.16,511 1.206,512 0.648,513 1.271,514 3,515 0.012,516 2.444,517 1.313,518 0.978,519 0.59,520 0.286,521 0.165,522 0.102,523 0.053,524 3722,525 11431,526 2.107,527 35.5,529 9,532 2,536 1.619,537 2,538 3.029,539 0.361,541 1,543 1,545 50.168,546 1.618,547 2.767,548 3.337,549 3.999,550 4.503,551 4.696,552 2.423,553 3.784,554 4.297,555 3.124,556 593.533,557 7.347,558 5995.33,559 1,560 1,562 1,563 153.58,564 1.295,565 4.266,566 0.136,567 0.006,568 0.081,569 0.042,570 0.038,571 0.027,572 0.015,573 0.009,574 0.008,575 0.008,576 0.37,577 0.5,578 1,579 0.548,580 87.691,581 -0.015,582 0.15,583 0.017,584 0.082,585 -0.063,586 0.063,587 0.197,588 -0.05,589 -0.051,590 -0.14,591 0.023,592 -0.157,593 0.052,594 -0.199,595 0.053,596 -0.147,597 0.013,598 -0.076,599 -0.145,600 -0.241,601 -0.081,602 -0.176,603 -0.06,604 -0.124,605 -0.106,606 0.07,607 -0.022,608 0.088,609 -0.092,610 0.064,611 -0.329,612 0.158,613 -0.107,614 0.181,615 -0.247,616 0.113,617 0.064,618 0.084,619 -0.124,620 0.036,621 0.194,622 -0.05,623 -0.045,624 -0.057,625 -0.213,626 -0.185,627 -0.018,628 -0.222,629 1.946,630 5.1,631 0.8,632 12.44,633 1.016,634 1.115,635 3.345,636 11.192,637 0.709,638 3.135,639 3.434,640 3.714,641 3.951,642 4.174,643 4.111,644 4.19,645 4.205,646 4.263,647 4.111,648 4.895,649 0.697,650 265.29,651 3.135,652 4.654,653 5.501,654 6.368,655 7.233,656 8.106,657 8.978,658 9.853,659 10.728,660 11.605,661 9.7,668 2,670 1,675 9,680 3,682 12,688 1,699 31,700 15,701 2,702 22,704 33,705 15,706 12,707 3,708 9,709 3,710 3,711 4,721 15,724 3,728 2,730 1,731 3,732 1,733 1,736 11,737 5,738 2,739 5,743 3,745 1,747 0.667,748 2,760 3,763 1,777 2,785 20,790 2,801 6.5,804 2,808 10,809 5.533,810 4.444,811 1.732,812 2.514,813 1.379,814 1.015,815 3.214,816 9.147,817 3.466,818 4.025,819 4.59,820 5.121,821 5.618,822 5.649,823 5.965,824 6.096,825 6.459,826 6.495,827 1,828 31,829 7.361,831 3.172,832 8,833 13.61,835 10.958,837 2.5,838 50,842 105.94,843 106.58,844 52.562,846 50.29,849 106.58,850 156.23,851 52.562,853 35.899,854 85.286,855 62.027,856 26.22,858 105.94,860 105.94,861 159.142,862 50.29,865 105.94,866 50.29,869 52.562,870 106.58,873 105.94,874 102.852,875 106.58,878 105.94,879 21.294,880 85.286,881 35.899,882 66.953,883 105.94,884 102.852,885 106.58,887 0.575,888 0.344,889 0.189,890 0.103,891 15,892 6,893 0.061,894 2,895 1,896 1.125,897 3.255,898 150.792,899 0.125,900 16,901 82.439,904 12.425,905 5.174,906 2.438,908 102.852,909 15.825,914 1.635,916 35.899,917 315.372,918 31,922 23.756,924 3.902,925 -0.206,926 31.494,927 34.575,928 0.327,929 0.558,930 0.674,931 0.807,932 0.909,933 0.948,934 4.673,935 1,936 5.468,937 2.705,938 4.111,939 4.71,940 1.772,941 6.267,942 4.097,943 5.871,944 0.935,945 7.018,946 2.27,947 3.611,948 4.35,950 7.168,951 3.606,952 7.166,953 0.229,954 8.677,955 2.136,956 5.68,957 6.842,958 1.765,959 10.289,960 5.649,961 8.498,962 -0.473,963 10.401,964 0.532,965 6.043,966 7.319,968 12.052,969 6.022,970 9.864,971 -0.675,972 12.167,973 -1.167,974 7.557,975 9.256,976 1.822,977 14.678,978 7.513,979 11.253,980 -0.773,981 13.961,982 -1.597,983 8.326,984 10.151,986 16.782,987 8.288,988 12.662,989 -0.904,990 15.776,991 -1.831,992 9.608,993 11.828,994 1.905,995 19.24,996 9.551,997 3.134,998 -1,999 17.605,1000 -2.18,1001 10.569,1002 12.946,1004 21.49,1005 10.511,1006 2.778,1007 10.747,1008 19.444,1009 -2.347,1010 11.754,1011 14.49,1012 2.001,1013 23.888,1014 11.682,1015 2.26,1016 8.629,1017 21.292,1018 4.09,1019 12.805,1020 15.731,1022 26.203,1023 12.726,1024 1.906,1025 7.114,1026 23.146,1027 3.671,1028 13.952,1029 17.205,1030 2.108,1031 28.581,1032 13.86,1033 1.711,1034 4.946,1035 25.006,1036 2.931,1037 15.044,1038 18.514,1040 30.925,1041 14.944,1042 1.286,1043 3.95,1044 26.871,1045 2.609,1046 16.178,1047 19.952,1048 2.224,1049 33.297,1050 16.065,1051 1.115,1052 2.857,1053 28.739,1054 2.453,1055 17.29,1056 21.3,1058 35.656,1059 17.167,1060 3612,1061 6439,1062 14.909,1063 21.972,1064 33.247,1065 34.769,1066 33.502,1067 32.738,1068 32.71,1069 44.654,1070 5.219,1071 91.771,1072 32.529,1073 5.36,1074 5.647,1075 6.478,1076 5.163,1077 5.134,1078 7.09,1079 2.181,1080 17.932,1081 5.101,1082 7.385,1083 1.511,1084 1.58,1085 1.523,1086 1.488,1087 1.487,1088 2.03,1089 0.237,1090 4.171,1091 1.479,1092 4.004,1093 4.033,1094 3.966,1095 3.915,1096 7.432,1097 3.921,1098 3.895,1099 3.92,1100 3.835,1101 3.833,1102 7.427,1103 3.829,1104 3.461,1105 3.523,1106 3.394,1107 3.237,1108 4.845,1109 3.271,1110 3.3,1111 3.331,1112 3.248,1113 3.057,1114 4.72,1115 3.097,1116 2.998,1117 3.025,1118 2.946,1119 2.856,1120 4.489,1121 2.866,1122 2.854,1123 2.925,1124 2.687,1125 2.735,1126 3.799,1127 2.715,1128 2.678,1129 2.753,1130 2.529,1131 2.483,1132 3.674,1133 2.491,1134 2.569,1135 2.654,1136 2.455,1137 2.344,1138 3.623,1139 2.367,1140 0.204,1141 0.166,1142 0.303,1143 0.187,1144 0.142,1145 4.482,1146 0.186,1147 3.647,1148 0.05,1149 6.676,1150 0.489,1151 4.124,1152 0.141,1153 3.134,1154 4.09,1155 1.091,1156 10.747,1157 3.101,1158 1.951,1159 1.927,1160 2.037,1161 2.064,1162 1.131,1163 2.052,1164 1.892,1165 1.868,1166 2.007,1167 1.977,1168 1.071,1169 1.987,1170 1.361,1171 1.307,1172 1.486,1173 1.62,1174 0.452,1175 1.591,1176 1.167,1177 1.139,1178 1.295,1179 1.454,1180 0.282,1181 1.402,1182 0.954,1183 0.919,1184 1.181,1185 1.128,1186 0.222,1187 1.13,1188 0.886,1189 0.821,1190 1.159,1191 1.062,1192 0.218,1193 1.107,1194 0.651,1195 0.582,1196 0.94,1197 0.901,1199 0.926,1200 0.518,1201 0.437,1202 0.806,1203 0.784,1205 0.795,1206 3.807,1208 5.106,1210 6.624,1212 8.24,1214 9.906,1223 5.088,1231 21.601,1232 50.168,1233 85.767,1234 103.441,1235 123.97,1236 139.58,1237 145.58,1238 31.651,1239 6.633,1240 74.85,1241 74.85,1242 18,1243 12.144,1244 4,1245 3.322,1246 29.894,1247 58,1248 56,1249 0.255,1250 134.504,1251 236,1252 319.95,1253 6016,1255 13.949,1256 0.697,1257 0.523,1258 13.949,1259 10.46,1260 9.754,1261 0.443,1262 0.277,1263 6.018,1264 9.431,1265 5.92,1266 4.923,1267 9.754,1268 6.093,1269 8.538,1270 0.285,1271 0.142,1272 8.538,1273 4.267,1274 7.333,1275 0.183,1276 0.074,1277 7.333,1278 2.964,1279 6.051,1280 0.119,1281 0.039,1282 6.051,1283 1.979,1284 5.001,1285 0.078,1286 0.02,1287 5.001,1288 1.3,1289 0.389,1290 60.995,1291 0.259,1292 19.718,1293 0.731,1294 104,1295 337.782,1296 113.979,1297 329.432,1298 445.6,1299 306,1300 122,1301 325.978,1302 132.148,1303 330.035,1304 480.58,1305 311,1306 5} {0 CHEMBL2348726,1 1.469,2 9.5,3 1.98,4 3.922,5 88.293,6 6.782,7 0.25,8 3.867,9 4.011,10 3.358,11 3.378,12 4.871,13 3.342,14 4.427,15 4.63,16 3.654,17 3.767,18 5.385,19 3.693,20 4.715,21 4.975,22 3.66,23 3.895,24 5.592,25 3.772,26 4.684,27 4.963,28 3.535,29 3.81,30 5.476,31 3.671,32 4.633,33 4.915,34 3.543,35 3.722,36 5.54,37 3.606,38 4.564,39 4.835,40 3.444,41 3.632,42 5.508,43 3.522,44 4.444,45 4.714,46 3.297,47 3.52,48 5.367,49 3.408,50 4.304,51 4.557,52 3.188,53 3.469,54 5.194,55 3.345,56 0.064,57 0.673,58 10.134,59 3.902,60 6.499,61 5.662,62 0.206,63 1.063,64 18.657,65 6.351,66 19.677,67 9.63,68 0.327,69 1.256,70 25.795,71 8.602,72 33.811,73 13.068,74 0.192,75 1.185,76 24.982,77 8.173,78 22.284,79 12.797,80 0.295,81 1.122,82 24.108,83 7.145,84 33.958,85 11.448,86 0.275,87 1.028,88 22.641,89 6.495,90 35.155,91 10.25,92 0.25,93 0.903,94 20.104,95 5.701,96 32.958,97 9.003,98 0.252,99 0.819,100 17.194,101 5.288,102 25.967,103 8.182,104 2,105 31,106 0.258,107 0.578,108 0.711,109 0.811,110 0.822,111 0.822,112 3.146,113 0.993,114 -4.24,115 -4.17,116 -3.94,119 38.6,121 3,124 4,130 1,131 1,133 5,134 1,147 2,157 1,159 10,162 4,164 2,166 2,168 10,171 1,172 4,174 1,175 1,176 3,178 7,182 3,187 3,190 3,193 1,194 5,197 1,199 6,202 1,206 5,209 1,211 4,217 5,222 1,224 2,228 1,229 3,234 2,237 5,242 1,247 1,250 6,255 700,256 15.259,257 15.259,258 15.259,259 15.259,260 15.259,261 13.987,262 16.252,263 9.482,264 15.485,265 11.898,266 11.898,267 11.898,268 11.898,269 11.898,270 9.954,271 19.537,272 4.556,273 12.229,274 3.991,275 2.163,276 1.406,277 0.835,278 0.773,279 0.773,280 3.834,283 1,284 1,285 450,286 2.345,289 214.565,295 1.364,296 14.219,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 47,307 209,308 4.408,309 3.507,310 6.518,311 4.027,312 3.043,313 3.926,314 0.98,315 10.262,316 2.997,317 3.738,318 3.084,319 5.344,320 3.45,321 2.522,322 3.175,323 0.8,324 6.97,325 2.342,326 3.533,327 2.829,328 5.256,329 3.322,330 2.323,331 2.647,332 0.721,333 6.463,334 2.316,335 3.46,336 2.438,337 4.959,338 3.077,339 2.095,340 2.512,342 5.808,343 2.041,344 3.049,345 1.694,346 4.117,347 2.595,348 1.609,349 2.201,351 3.666,352 1.582,353 2.567,354 1.605,355 3.675,356 2.492,357 1.509,358 1.563,360 3.213,361 1.479,362 2.526,363 1.364,364 3.48,365 2.024,366 1.068,367 1.5,369 2.482,370 1.018,371 2.5,372 1.077,373 3.342,374 2,375 1,376 1.413,378 2.339,379 1,380 2.157,381 1.047,382 3.247,383 1.99,384 1,385 1.122,386 2.136,387 0.988,388 2,389 1,390 3.247,391 1.984,392 1,393 1,394 2.136,395 0.983,396 1.447,397 0.82,398 2.769,399 1.211,400 0.222,401 0.246,402 0.523,403 0.218,404 0.927,405 0.228,406 2.426,407 0.654,408 -0.327,409 -0.368,411 -0.749,412 -0.317,413 0.827,414 -0.342,415 2.303,416 0.461,417 -0.555,418 -0.727,420 -1.352,421 -0.561,422 0.5,423 -0.502,424 1.882,425 0.146,426 -0.843,427 -0.913,429 -1.84,430 -0.831,431 0.361,432 -0.784,433 1.602,435 -1,436 -1,438 -2.347,439 -0.946,440 10.433,441 0.474,442 0.346,443 0.016,444 24.5,445 1.114,446 10.5,447 0.477,448 14,449 0.636,450 18.007,451 0.819,452 24.367,453 0.554,454 16.23,455 0.738,456 4.856,457 0.221,458 5.971,459 0.271,460 0.032,462 0.23,466 0.745,467 1.337,468 0.878,469 1.141,470 0.538,471 1.039,472 0.849,473 1.182,474 1.022,475 1.097,476 0.525,477 1.073,478 0.842,479 0.947,480 0.967,481 0.971,482 0.739,483 0.981,484 0.744,485 1.101,486 0.907,487 1.028,488 0.509,489 0.987,490 0.88,491 1,492 0.887,493 0.908,494 0.647,495 0.889,496 1.35,497 1.027,498 1.029,499 0.947,500 1.339,501 0.944,502 1.522,503 0.974,504 1.074,505 0.882,506 1.581,507 0.915,508 1.275,509 0.954,510 1.174,511 0.962,512 1.309,513 1.039,514 3,515 0.041,516 1.778,517 0.938,518 0.716,519 0.458,520 0.322,521 0.165,522 0.135,523 0.071,524 5254,525 11454,526 2.125,527 50,528 2,529 14,532 2,534 4,536 1.645,537 2.063,538 3.233,539 0.304,540 1,541 1,543 1,545 64.621,546 1.469,547 3.296,548 4.053,549 4.624,550 4.687,551 4.687,552 2.642,553 3.516,554 4.431,555 3.374,556 779.303,557 7.611,558 8775.95,560 1,562 1,563 240.215,564 1.023,565 4.423,566 0.125,567 0.004,568 0.057,569 0.031,570 0.028,571 0.018,572 0.014,573 0.008,574 0.008,575 0.004,576 0.297,577 0.33,578 1,579 0.405,580 101.91,581 0.051,582 -0.06,583 0.056,584 -0.02,585 0.028,586 0.01,587 0.051,588 -0.022,589 -0.062,590 -0.067,591 0.103,592 -0.076,593 0.078,594 0.059,595 0.005,596 0.013,597 0.077,599 0.009,600 -0.137,601 0.053,602 -0.053,603 0.062,604 -0.001,605 0.097,606 -0.02,607 0.104,608 0.021,609 0.137,610 0.06,611 -0.093,612 -0.051,613 -0.014,614 -0.027,615 -0.055,616 -0.012,617 -0.206,618 -0.003,619 -0.055,620 0.037,621 -0.167,622 0.015,623 -0.126,624 0.068,625 -0.181,626 -0.005,627 -0.173,628 -0.085,629 1.847,630 4.583,631 0.818,632 17.785,633 0.993,634 1.135,635 3.005,636 9.03,637 0.644,638 3.219,639 3.466,640 3.689,641 3.912,642 4.127,643 4.007,644 4.06,645 4.094,646 4.127,647 4.094,648 5.732,649 0.603,650 298.43,651 3.219,652 4.71,653 5.525,654 6.365,655 7.2,656 8.047,657 8.89,658 9.74,659 10.588,660 11.441,661 9.1,663 1,664 1,668 1,670 1,675 5,680 1,682 6,699 44,700 9,701 1,702 24,704 46,705 17,706 6,707 1,708 5,709 4,710 3,711 3,716 3,719 3,721 10,722 7,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 22,737 5,738 2,739 5,743 4,745 1,747 1,748 1,760 3,770 1,771 1,773 1,774 1,777 3,785 22,789 7,790 2,794 1,801 2.3,804 1,808 10.667,809 7.567,810 4.972,811 2.844,812 1.8,813 1.27,814 0.981,815 5.119,816 8.476,817 3.434,818 3.882,819 4.353,820 4.817,821 5.301,822 5.312,823 5.566,824 5.766,825 5.907,826 5.822,827 1,828 30,829 8.145,831 3.374,832 7.598,833 15.984,835 13.058,837 2.098,838 46.167,839 0.001,842 235.422,843 86.288,844 55.686,846 25.145,849 86.288,850 260.567,851 55.686,853 33.915,854 74.868,855 32.177,856 26.158,858 235.422,860 235.422,861 141.974,862 25.145,865 188.338,866 72.229,869 71.713,870 60.785,871 9.476,873 235.422,874 80.831,875 86.288,878 235.422,879 29.43,880 59.982,881 35.899,882 41.808,883 235.422,884 80.831,885 86.288,887 0.559,888 0.318,889 0.177,890 0.101,891 14,892 5,893 0.109,894 5,896 1,897 3.569,898 163.914,900 18,901 87.353,904 15.104,905 7.455,906 4.115,908 80.831,909 9.883,914 1.001,916 35.899,917 402.541,918 30,922 11.583,923 1.603,924 4.17,925 1.409,926 43.687,927 49.939,928 0.269,929 0.604,930 0.742,931 0.847,932 0.858,933 0.858,934 4.64,935 1,936 5.451,937 2.482,938 4.143,939 4.564,940 1.593,941 6.172,942 4.092,943 5.772,944 1,945 6.942,946 2.339,947 3.434,948 4.034,949 0.325,950 6.899,951 3.357,952 7.029,953 1,954 8.539,955 2.136,956 5.631,957 6.547,958 1.347,959 10.012,960 5.527,961 8.319,962 0.222,963 10.204,964 2.136,965 5.802,966 6.896,967 0.268,968 11.676,969 5.678,970 9.649,971 -0.327,972 11.916,973 0.523,974 7.403,975 8.845,976 1.2,977 14.275,978 7.255,979 11.005,980 -0.555,981 13.663,982 -0.749,983 8.024,984 9.642,985 0.188,986 16.33,987 7.864,988 12.384,989 -0.843,990 15.436,991 -1.352,992 9.347,993 11.321,994 1.103,995 18.756,996 9.166,997 3.043,998 -1,999 17.228,1000 -1.84,1001 10.206,1002 12.366,1003 0.125,1004 20.973,1005 10.018,1006 2.522,1007 10.262,1008 19.036,1009 -2.347,1010 11.401,1011 13.902,1012 1.035,1013 23.338,1014 11.195,1015 2.323,1016 6.97,1017 20.856,1018 3.926,1019 12.384,1020 15.087,1021 0.082,1022 25.621,1023 12.171,1024 2.095,1025 6.463,1026 22.687,1027 3.175,1028 13.523,1029 16.547,1030 0.984,1031 27.964,1032 13.296,1033 1.609,1034 5.808,1035 24.525,1036 2.647,1037 14.569,1038 17.81,1039 0.054,1040 30.274,1041 14.333,1042 1.509,1043 3.666,1044 26.371,1045 2.512,1046 15.686,1047 19.228,1048 0.943,1049 32.607,1050 15.438,1051 1.068,1052 3.213,1053 28.221,1054 2.201,1055 16.764,1056 20.536,1057 0.035,1058 34.928,1059 16.505,1060 5051,1061 7624,1062 16.583,1063 28.33,1064 35.271,1065 35.708,1066 35.073,1067 34.801,1068 34.784,1069 42.608,1070 5.002,1071 91.994,1072 33.928,1073 5.408,1074 5.507,1075 6.32,1076 5.067,1077 5.043,1078 6.926,1079 1.96,1080 17.008,1081 4.997,1082 5.825,1083 1.47,1084 1.488,1085 1.461,1086 1.45,1087 1.449,1088 1.775,1089 0.208,1090 3.833,1091 1.414,1092 3.98,1093 4.017,1094 3.929,1095 3.903,1096 7.43,1097 3.903,1098 3.852,1099 3.918,1100 3.721,1101 3.697,1102 4.847,1103 3.692,1104 3.702,1105 3.754,1106 3.635,1107 3.539,1108 4.659,1109 3.557,1110 3.458,1111 3.533,1112 3.305,1113 3.268,1114 4.337,1115 3.264,1116 3.111,1117 3.206,1118 2.963,1119 2.941,1120 3.998,1121 2.91,1122 3.06,1123 3.139,1124 2.866,1125 2.799,1126 3.87,1127 2.833,1128 2.941,1129 3.004,1130 2.836,1131 2.747,1132 3.674,1133 2.759,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.568,1139 2.715,1140 0.184,1141 0.146,1142 0.272,1143 0.168,1144 0.127,1145 4.408,1146 0.164,1147 3.507,1148 0.041,1149 6.518,1150 0.428,1151 4.027,1152 0.125,1153 3.043,1154 3.926,1155 0.98,1156 10.262,1157 2.997,1158 1.943,1159 1.917,1160 2.063,1161 2.051,1162 1.413,1163 2.054,1164 1.832,1165 1.766,1166 2.041,1167 2.012,1168 1.139,1169 2.024,1170 1.64,1171 1.595,1172 1.798,1173 1.839,1174 1.046,1175 1.829,1176 1.439,1177 1.367,1178 1.662,1179 1.665,1180 0.825,1181 1.674,1182 1.153,1183 1.064,1184 1.513,1185 1.376,1186 0.732,1187 1.429,1188 0.98,1189 0.899,1190 1.306,1191 1.289,1192 0.55,1193 1.294,1194 0.889,1195 0.834,1196 1.181,1197 1.114,1198 0.218,1199 1.114,1200 0.886,1201 0.821,1202 1.092,1203 1.062,1204 0.155,1205 1.107,1206 3.892,1208 5.153,1210 6.621,1212 8.181,1214 9.788,1222 8.161,1223 5.88,1227 2.477,1231 26.542,1232 64.621,1233 145.038,1234 178.341,1235 203.46,1236 206.215,1237 206.215,1238 30.529,1239 6.676,1240 61.02,1241 61.02,1242 18,1243 11.998,1244 3.322,1245 2.807,1246 34.456,1247 73,1248 76,1249 0.223,1250 165.269,1251 291.63,1252 395.017,1253 6826,1255 15.2,1256 0.691,1257 0.578,1258 15.2,1259 12.717,1260 10.826,1261 0.451,1262 0.331,1263 7.845,1264 10.451,1265 7.716,1266 6.404,1267 10.826,1268 7.942,1269 9.175,1270 0.296,1271 0.184,1272 9.175,1273 5.69,1274 7.478,1275 0.192,1276 0.104,1277 7.478,1278 4.062,1279 6.13,1280 0.125,1281 0.059,1282 6.13,1283 2.891,1284 5.128,1285 0.084,1286 0.033,1287 5.128,1288 2.025,1289 0.349,1290 67.511,1291 0.246,1292 21.913,1293 0.612,1294 110,1295 287.691,1296 119.514,1297 280.995,1298 384.93,1299 264,1300 125,1301 282.89,1302 134.848,1303 285.906,1304 413.86,1305 270,1306 5} {0 CHEMBL2348727,1 1.493,2 9.238,3 1.035,4 1.072,5 83.584,6 6.937,7 0.261,8 3.805,9 3.947,10 3.317,11 3.316,12 4.841,13 3.286,14 4.357,15 4.557,16 3.641,17 3.712,18 5.337,19 3.653,20 4.641,21 4.879,22 3.662,23 3.863,24 5.586,25 3.756,26 4.687,27 4.969,28 3.51,29 3.781,30 5.545,31 3.641,32 4.556,33 4.837,34 3.493,35 3.624,36 5.52,37 3.521,38 4.38,39 4.633,40 3.349,41 3.489,42 5.381,43 3.407,44 4.274,45 4.536,46 3.183,47 3.413,48 5.173,49 3.3,50 4.159,51 4.39,52 3.03,53 3.341,54 5.131,55 3.216,56 0.057,57 0.635,58 9.239,59 3.566,60 7.167,61 5.13,62 0.198,63 1.004,64 17.105,65 5.784,66 18.121,67 8.708,68 0.266,69 1.204,70 23.512,71 7.91,72 32.887,73 11.908,74 0.24,75 1.154,76 25.392,77 8.297,78 31.691,79 12.724,80 0.269,81 1.017,82 22.516,83 6.573,84 39.396,85 10.439,86 0.28,87 0.903,88 18.742,89 4.816,90 34.93,91 7.752,92 0.209,93 0.783,94 16.701,95 5.193,96 23.279,97 7.894,98 0.163,99 0.687,100 14.639,101 5.015,102 26.162,103 7.23,104 5,105 31,106 0.266,107 0.623,108 0.767,109 0.8,110 0.812,111 0.812,112 3.103,113 0.955,114 -3.99,115 -3.94,116 -3.74,119 39,121 2,123 1,124 2,126 1,130 1,131 1,133 5,134 1,147 2,157 1,159 8,162 4,164 2,166 4,168 10,171 1,172 3,175 1,176 3,178 7,182 5,185 1,187 3,190 5,194 4,197 1,199 6,202 3,205 1,206 4,211 3,213 2,217 4,220 1,222 1,224 4,229 1,237 4,241 1,242 2,250 2,255 544,256 14.292,257 14.292,258 14.292,259 14.292,260 14.292,261 13.02,262 18.296,263 8.61,264 14.52,265 11.371,266 11.371,267 11.371,268 11.371,269 11.371,270 9.442,271 29.019,272 4.143,273 11.699,274 3.864,275 1.857,276 1.052,277 0.866,278 0.799,279 0.799,280 3.786,284 1,285 417,286 2,289 202.443,295 1.392,296 15.111,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 45,307 194,308 4.393,309 3.598,310 6.472,311 4.028,312 3.03,313 3.908,314 0.98,315 10.047,316 3.022,317 3.84,318 2.975,319 5.58,320 3.617,321 2.661,322 3.213,323 0.8,324 7.671,325 2.54,326 3.595,327 2.73,328 5.19,329 3.303,330 2.351,331 2.778,332 0.721,333 6.459,334 2.254,335 3.43,336 2.567,337 5.026,338 3.099,339 2.124,340 2.506,342 5.805,343 2.05,344 3,345 2.208,346 4.783,347 2.823,348 1.863,349 2.104,351 5.308,352 1.776,353 2.985,354 1.664,355 4.028,356 2.525,357 1.526,358 2,360 3.509,361 1.52,362 2.528,363 1.077,364 3.48,365 2,366 1,367 1.5,369 2.478,370 1,371 2.5,372 1.077,373 3.414,374 1.99,375 1,376 1.404,378 2.275,379 0.989,380 2,381 1,382 3.247,383 1.984,384 1,385 1,386 2.136,387 0.983,388 1.596,389 0.938,390 3.002,391 1.325,392 0.337,393 0.383,394 0.812,395 0.329,396 1.101,397 0.377,398 2.577,399 0.929,400 -0.077,401 -0.087,402 -0.171,403 -0.077,404 0.819,405 -0.217,406 2.274,407 0.456,408 -0.52,409 -0.577,411 -1.305,412 -0.506,413 0.511,414 -0.416,415 2,416 0.195,417 -0.785,418 -1,420 -1.921,421 -0.757,422 0.5,423 -0.784,424 1.935,426 -1,427 -1.037,429 -2.347,430 -0.946,431 0.339,432 -0.842,433 1.66,434 -0.032,435 -1,436 -1.264,438 -2.805,439 -0.972,440 9.933,441 0.473,442 0.452,443 0.022,444 24,445 1.143,446 10.5,447 0.5,448 13.5,449 0.643,450 16.666,451 0.794,452 23.067,453 0.563,454 16.166,455 0.77,456 4.867,457 0.232,458 5.354,459 0.255,460 0.084,462 0.292,466 0.745,467 1.327,468 0.853,469 1.119,470 0.561,471 1.013,472 0.85,473 1.118,474 0.958,475 1.011,476 0.536,477 0.989,478 0.891,479 1.066,480 1.039,481 1.085,482 0.755,483 1.078,484 0.82,485 0.975,486 0.899,487 0.984,488 0.746,489 0.954,490 1.01,491 1.017,492 0.813,493 0.849,494 0.989,495 0.809,496 1.65,497 0.996,498 1.212,499 0.9,500 1.488,501 0.97,502 1.197,503 0.887,504 1.051,505 0.927,506 1.19,507 0.96,508 1.458,509 1.038,510 1.242,511 1.152,512 1.893,513 1.181,514 4,515 0.049,516 2,517 1.125,518 0.987,519 0.403,520 0.464,521 0.233,522 0.074,523 0.114,524 4469,525 10213,526 2.102,527 48.8,529 14,532 2,535 4,536 1.631,537 2,538 3.209,539 0.331,540 1,541 1,543 1,545 61.221,546 1.493,547 3.501,548 4.306,549 4.491,550 4.559,551 4.559,552 2.684,553 4.011,554 4.364,555 3.308,556 694.609,557 7.473,558 7368.35,559 1,560 1,563 219.66,564 1.268,565 4.338,566 0.174,567 0.007,568 0.065,569 0.038,570 0.039,571 0.016,572 0.022,573 0.013,574 0.005,575 0.01,576 0.389,577 0.67,578 1,579 0.532,580 94.977,581 0.043,582 -0.062,583 0.056,584 -0.02,585 0.001,586 0.011,587 0.048,588 0.039,589 -0.012,590 0.007,591 0.09,592 -0.006,593 0.021,594 -0.029,595 -0.081,596 -0.089,597 0.069,598 -0.096,599 0.034,600 -0.05,601 0.073,602 -0.016,603 0.059,604 0.028,605 0.067,606 -0.084,607 0.191,608 0.081,609 0.093,610 0.143,611 -0.266,612 0.059,613 -0.186,614 -0.016,615 -0.2,616 -0.075,617 -0.106,618 0.097,619 -0.061,620 0.025,621 -0.101,622 -0.004,623 -0.235,624 -0.063,625 -0.263,626 -0.144,627 -0.284,628 -0.2,629 1.824,630 4.955,631 0.857,632 15.424,633 0.995,634 1.135,635 2.762,636 7.628,637 0.648,638 3.178,639 3.466,640 3.689,641 3.912,642 4.159,643 4.06,644 4.174,645 4.234,646 4.234,647 4.29,648 5.406,649 0.61,650 284.4,651 3.178,652 4.691,653 5.517,654 6.372,655 7.216,656 8.074,657 8.926,658 9.785,659 10.641,660 11.501,661 9.8,663 1,664 1,668 1,670 1,675 5,680 1,682 6,699 41,700 9,701 1,702 23,704 43,705 16,706 6,707 1,708 5,709 4,710 3,711 3,716 3,719 3,721 10,722 6,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 20,737 5,738 2,739 5,743 4,745 1,747 1,748 1,760 3,770 1,771 1,773 1,774 1,777 3,781 1,785 21,789 4,790 2,793 1,794 1,801 2.4,804 1,808 10.5,809 7.4,810 4.639,811 2.486,812 1.726,813 1.259,814 0.976,815 4.251,816 8.385,817 3.401,818 3.882,819 4.353,820 4.817,821 5.32,822 5.356,823 5.671,824 5.918,825 6.06,826 6.187,827 1,828 30,829 7.77,831 3.259,832 7.643,833 15.107,835 12.426,837 2.143,838 45,839 0.001,842 211.88,843 87.938,844 55.686,846 25.145,849 87.938,850 237.025,851 55.686,852 8.396,853 27.169,854 74.868,855 32.177,856 26.158,858 211.88,860 211.88,861 143.624,862 25.145,865 164.795,866 72.229,869 64.967,870 69.181,871 9.476,873 211.88,874 80.831,875 87.938,878 211.88,879 22.684,880 68.378,881 35.899,882 41.808,883 211.88,884 80.831,885 87.938,887 0.574,888 0.326,889 0.173,890 0.102,891 15,892 6,893 0.07,894 3,896 1,897 3.406,898 157.378,900 18,901 84.239,904 14.146,905 6.311,906 3.449,908 80.831,909 9.67,914 0.91,916 35.899,917 380.649,918 29,922 11.955,923 1.84,924 4.115,925 1.235,926 40.803,927 46.524,928 0.279,929 0.653,930 0.804,931 0.838,932 0.851,933 0.851,934 4.63,935 1,936 5.476,937 2.478,938 4.143,939 4.564,940 1.593,941 6.225,942 4.092,943 5.788,944 1,945 6.993,946 2.275,947 3.611,948 4.135,949 0.325,950 6.986,951 3.53,952 7.059,953 0.337,954 8.607,955 2.136,956 5.673,957 6.564,958 1.347,959 10.063,960 5.576,961 8.359,962 -0.077,963 10.28,964 0.812,965 5.943,966 6.945,967 0.268,968 11.678,969 5.835,970 9.693,971 -0.52,972 11.992,973 -0.171,974 7.467,975 8.859,976 1.2,977 14.264,978 7.342,979 11.05,980 -0.785,981 13.732,982 -1.305,983 8.132,984 9.658,985 0.188,986 16.26,987 8.013,988 12.427,989 -1,990 15.494,991 -1.921,992 9.415,993 11.322,994 1.103,995 18.668,996 9.281,997 3.03,998 -1,999 17.273,1000 -2.347,1001 10.289,1002 12.358,1003 0.125,1004 20.838,1005 10.166,1006 2.661,1007 10.047,1008 19.066,1009 -2.805,1010 11.461,1011 13.888,1012 1.035,1013 23.179,1014 11.33,1015 2.351,1016 7.671,1017 20.871,1018 3.908,1019 12.444,1020 15.061,1021 0.082,1022 25.425,1023 12.324,1024 2.124,1025 6.459,1026 22.686,1027 3.213,1028 13.568,1029 16.517,1030 0.984,1031 27.742,1032 13.444,1033 1.863,1034 5.805,1035 24.51,1036 2.778,1037 14.607,1038 17.768,1039 0.054,1040 30.022,1041 14.491,1042 1.526,1043 5.308,1044 26.34,1045 2.506,1046 15.712,1047 19.183,1048 0.943,1049 32.331,1050 15.596,1051 1,1052 3.509,1053 28.176,1054 2.104,1055 16.779,1056 20.48,1057 0.035,1058 34.626,1059 16.67,1060 4327,1061 6672,1062 15.603,1063 26.569,1064 34.518,1065 34.972,1066 34.531,1067 33.824,1068 33.785,1069 41.591,1070 5.002,1071 93.001,1072 32.926,1073 5.393,1074 5.598,1075 6.274,1076 5.067,1077 5.03,1078 6.908,1079 1.96,1080 16.677,1081 5.022,1082 8.05,1083 1.501,1084 1.521,1085 1.501,1086 1.471,1087 1.469,1088 1.808,1089 0.217,1090 4.044,1091 1.432,1092 3.985,1093 4.023,1094 3.933,1095 3.903,1096 7.429,1097 3.904,1098 3.854,1099 3.913,1100 3.741,1101 3.705,1102 4.835,1103 3.705,1104 3.674,1105 3.727,1106 3.605,1107 3.509,1108 4.688,1109 3.527,1110 3.299,1111 3.388,1112 3.164,1113 3.052,1114 4.359,1115 3.062,1116 3.111,1117 3.206,1118 2.873,1119 2.941,1120 3.933,1121 2.91,1122 2.997,1123 3.065,1124 2.866,1125 2.783,1126 3.869,1127 2.792,1128 2.915,1129 2.985,1130 2.82,1131 2.735,1132 3.674,1133 2.715,1134 2.854,1135 2.925,1136 2.687,1137 2.657,1138 3.524,1139 2.699,1140 0.191,1141 0.156,1142 0.281,1143 0.175,1144 0.132,1145 4.393,1146 0.17,1147 3.598,1148 0.043,1149 6.472,1150 0.437,1151 4.028,1152 0.131,1153 3.03,1154 3.908,1155 0.98,1156 10.047,1157 3.022,1158 1.943,1159 1.918,1160 2.057,1161 2.062,1162 1.4,1163 2.061,1164 1.832,1165 1.769,1166 2.029,1167 1.999,1168 1.126,1169 2.011,1170 1.607,1171 1.565,1172 1.722,1173 1.811,1174 0.825,1175 1.789,1176 1.26,1177 1.166,1178 1.585,1179 1.535,1180 0.783,1181 1.552,1182 1.153,1183 1.064,1184 1.513,1185 1.376,1186 0.699,1187 1.429,1188 0.937,1189 0.867,1190 1.223,1191 1.221,1192 0.394,1193 1.222,1194 0.886,1195 0.821,1196 1.181,1197 1.105,1198 0.218,1199 1.107,1200 0.822,1201 0.763,1202 1.071,1203 1.062,1204 0.14,1205 1.103,1206 3.85,1208 5.142,1210 6.635,1212 8.214,1214 9.835,1216 2.141,1222 4.37,1223 6.018,1226 0.42,1227 2.327,1231 25.015,1232 61.221,1233 143.521,1234 176.54,1235 184.15,1236 186.905,1237 186.905,1238 30.13,1239 6.659,1240 61.02,1241 61.02,1242 18,1243 12.052,1244 3.322,1245 2.807,1246 32.195,1247 68,1248 70,1249 0.235,1250 155.677,1251 274.33,1252 371.611,1253 6233,1255 14.656,1256 0.698,1257 0.58,1258 14.656,1259 12.173,1260 10.22,1261 0.444,1262 0.318,1263 7.226,1264 9.845,1265 7.051,1266 5.868,1267 10.22,1268 7.324,1269 9.08,1270 0.293,1271 0.18,1272 9.08,1273 5.584,1274 7.424,1275 0.19,1276 0.102,1277 7.424,1278 3.959,1279 5.917,1280 0.121,1281 0.055,1282 5.917,1283 2.674,1284 5.14,1285 0.082,1286 0.031,1287 5.14,1288 1.963,1289 0.365,1290 63.913,1291 0.253,1292 20.865,1293 0.653,1294 108,1295 285.691,1296 117.514,1297 279.929,1298 382.63,1299 262,1300 124,1301 281.82,1302 133.986,1303 286.895,1304 414.09,1305 269,1306 5} {0 CHEMBL2348728,1 1.517,2 8.053,3 2.08,4 4.327,5 73.186,6 7.853,7 0.571,8 3.58,9 3.7,10 3.198,11 3.178,12 4.749,13 3.162,14 4.043,15 4.191,16 3.511,17 3.541,18 5.198,19 3.5,20 4.283,21 4.478,22 3.557,23 3.614,24 5.414,25 3.55,26 4.264,27 4.494,28 3.373,29 3.443,30 5.35,31 3.377,32 4.157,33 4.406,34 3.179,35 3.303,36 5.225,37 3.22,38 3.983,39 4.229,40 3.012,41 3.216,42 4.966,43 3.119,44 3.828,45 4.039,46 2.988,47 3.167,48 4.897,49 3.085,50 3.744,51 3.957,52 2.824,53 3.079,54 4.82,55 2.969,56 0.047,57 0.479,58 5.757,59 2.649,60 5.533,61 3.331,62 0.113,63 0.741,64 9.922,65 4.35,66 12.389,67 5.643,68 0.144,69 0.894,70 14.385,71 5.81,72 25.086,73 7.781,74 0.147,75 0.881,76 15.201,77 5.058,78 24.768,79 6.858,80 0.232,81 0.773,82 14.436,83 4.561,84 30.867,85 6.268,86 0.142,87 0.631,88 12.036,89 4.286,90 23.788,91 5.848,92 0.105,93 0.543,94 9.574,95 3.719,96 18.443,97 4.898,98 0.053,99 0.487,100 8.613,101 3.673,102 11.789,103 4.935,104 2,105 28,106 0.281,107 0.562,108 0.66,109 0.79,110 0.858,111 0.869,112 3.01,113 0.871,114 -4.76,115 -4.68,116 -4.39,119 46.9,124 1,133 9,134 3,147 2,157 1,159 12,162 2,164 2,166 3,168 12,171 1,172 4,175 1,176 6,178 6,182 5,187 6,190 1,194 4,197 1,199 4,202 4,206 2,211 2,213 8,217 2,222 2,224 10,229 2,234 1,237 8,242 2,250 4,255 423,256 13.19,257 13.19,258 13.19,259 13.19,260 13.19,261 11.374,262 12.005,263 8.03,264 13.293,265 10.382,266 10.382,267 10.382,268 10.382,269 10.382,270 7.696,271 15.518,272 3.819,273 10.519,274 3.483,275 1.971,276 1.442,277 0.738,278 0.375,279 0.313,280 3.696,283 1,284 1,285 333,286 2.121,289 142.837,292 74.121,295 1.114,296 13.157,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 40.5,307 153,308 4.473,309 3.619,310 6.67,311 4.113,312 3.122,313 4.086,314 0.98,315 10.718,316 3.093,317 3.902,318 3.036,319 5.613,320 3.524,321 2.532,322 3.446,323 0.799,324 7.274,325 2.511,326 3.644,327 2.703,328 5.329,329 3.246,330 2.26,331 2.908,332 0.392,333 6.858,334 2.221,335 3.337,336 2.217,337 4.673,338 2.875,339 1.891,340 2.596,342 4.868,343 1.852,344 2.923,345 1.628,346 3.765,347 2.498,348 1.505,349 2.091,351 3.184,352 1.494,353 2.737,354 1.342,355 3.599,356 2.277,357 1.286,358 1.805,360 2.855,361 1.273,362 2.535,363 1.269,364 3.595,365 2.047,366 1.059,367 1.508,369 2.625,370 1.044,371 2.5,372 1.1,373 3.247,374 2,375 1,376 1.5,378 2.136,379 1,380 1.943,381 1,382 3.125,383 1.649,384 0.677,385 0.813,386 1.547,387 0.653,388 1.339,389 0.616,390 2.673,391 1.042,392 0.024,393 0.029,394 0.056,395 0.024,396 0.865,397 -0.155,398 2.357,399 0.482,400 -0.52,401 -0.669,402 -1.253,403 -0.519,404 0.737,405 -0.418,406 2.081,407 0.292,408 -0.679,409 -0.894,411 -1.602,412 -0.659,413 0.613,414 -0.639,415 2,416 0.114,417 -0.9,418 -1.333,420 -2.159,421 -0.91,422 0.5,423 -0.935,424 1.555,426 -1,427 -1.5,429 -2.347,430 -1,431 0.219,432 -1,433 1.426,434 -0.163,435 -1.149,436 -1.529,438 -2.917,439 -1.121,440 9.033,441 0.475,442 0.329,443 0.017,444 26.75,445 1.408,446 15,447 0.789,448 11.75,449 0.618,450 10.919,451 0.575,452 19.167,453 0.599,454 17.17,455 0.904,456 5.651,457 0.297,458 3.692,459 0.194,460 0.037,462 0.277,466 0.684,467 0.965,468 0.74,469 0.861,470 0.565,471 0.811,472 0.63,473 1.076,474 0.896,475 1.042,476 0.612,477 1.01,478 0.745,479 1.19,480 0.904,481 1.129,482 0.805,483 1.061,484 1.253,485 1.25,486 1.094,487 1.089,488 0.983,489 1.059,490 1.268,491 0.957,492 1.099,493 0.871,494 1.064,495 0.932,496 1.091,497 0.822,498 0.991,499 0.823,500 1.037,501 0.877,502 1.097,503 0.85,504 1.015,505 0.889,506 1.14,507 0.934,508 0.729,509 0.947,510 1.043,511 1.151,512 0.731,513 1.144,514 2.5,515 0.012,516 2,517 0.938,518 0.778,519 0.389,520 0.183,521 0.137,522 0.102,523 0.053,524 3409,525 9147,526 2.145,527 40.6,529 11,532 2,536 1.602,537 2.073,538 3.025,539 0.341,541 1,543 1,545 48.536,546 1.517,547 3.029,548 3.558,549 4.262,550 4.625,551 4.688,552 2.42,553 3.932,554 4.222,555 3.135,556 536.079,557 7.183,558 5272.58,559 1,560 1,562 1,563 160,564 1.105,565 4.207,566 0.119,567 0.006,568 0.071,569 0.033,570 0.035,571 0.022,572 0.011,573 0.009,574 0.008,575 0.008,576 0.322,577 0.67,578 1,579 0.447,580 82.256,581 0.024,582 0.141,583 0.032,584 0.075,585 -0.047,586 0.058,587 0.133,588 -0.016,589 -0.072,590 -0.098,591 0.011,592 -0.114,593 0.158,594 -0.211,595 0.025,596 -0.165,597 0.081,598 -0.109,599 -0.144,600 -0.229,601 -0.094,602 -0.174,603 -0.032,604 -0.131,605 -0.09,606 0.054,607 -0.06,608 0.052,609 -0.026,610 0.014,611 -0.14,612 0.127,613 0.023,614 0.155,615 -0.103,616 0.123,617 -0.161,618 0.105,619 -0.061,620 0.097,621 -0.136,622 0.045,623 -0.021,624 -0.036,625 -0.108,626 -0.138,627 0.044,628 -0.13,629 1.833,630 4.659,631 0.842,632 12.382,633 1.002,634 1.118,635 3.535,636 12.495,637 0.696,638 3.091,639 3.367,640 3.638,641 3.871,642 4.094,643 4.007,644 4.06,645 4.127,646 4.205,647 4.06,648 4.924,649 0.669,650 251.31,651 3.091,652 4.595,653 5.434,654 6.29,655 7.146,656 8.009,657 8.872,658 9.74,659 10.607,660 11.477,661 9.4,663 1,668 1,670 1,675 9,680 3,682 12,699 32,700 14,701 2,702 21,704 34,705 15,706 12,707 3,708 9,709 2,710 3,711 4,721 14,722 1,724 2,728 1,730 1,731 2,733 1,736 13,737 4,738 2,739 4,743 3,745 1,747 0.667,748 1,760 3,763 1,773 1,777 2,785 19,789 1,790 2,801 3.1,804 1,808 9.167,809 5.617,810 4.25,811 1.815,812 2.532,813 1.386,814 1.02,815 3.192,816 9.099,817 3.401,818 3.951,819 4.505,820 5.027,821 5.528,822 5.512,823 5.782,824 6.014,825 6.38,826 6.429,827 1,828 28,829 6.98,831 2.942,832 7.754,833 13.274,835 10.725,837 2.254,838 42.833,839 0.001,842 129.482,843 103.981,844 52.562,846 25.145,849 103.981,850 154.627,851 52.562,853 19.994,854 103.297,855 32.177,856 26.22,858 129.482,860 129.482,861 156.543,862 25.145,865 129.482,866 25.145,869 54.668,870 101.876,873 129.482,874 77.707,875 103.981,878 129.482,879 18.695,880 85.286,881 35.899,882 41.808,883 129.482,884 77.707,885 103.981,887 0.568,888 0.335,889 0.185,890 0.101,891 14,892 5,893 0.088,894 3,895 1,896 1.125,897 3.24,898 137.982,899 0.125,900 16,901 76.711,904 11.785,905 5.145,906 2.453,908 77.707,909 17.494,914 2.648,916 35.899,917 311.17,918 29,922 11.659,924 4.073,925 0.528,926 32.051,927 35.78,928 0.303,929 0.606,930 0.712,931 0.852,932 0.925,933 0.938,934 4.595,935 1,936 5.38,937 2.625,938 4.043,939 4.635,940 1.505,941 6.151,942 4.018,943 5.776,944 0.677,945 6.907,946 2.136,947 3.434,948 4.182,950 7.002,951 3.412,952 7.059,953 0.024,954 8.543,955 1.547,956 5.58,957 6.753,958 1.31,959 10.124,960 5.531,961 8.379,962 -0.52,963 10.248,964 0.056,965 5.861,966 7.158,968 11.884,969 5.817,970 9.734,971 -0.679,972 11.999,973 -1.253,974 7.421,975 9.15,976 1.193,977 14.51,978 7.354,979 11.114,980 -0.9,981 13.783,982 -1.602,983 8.141,984 9.994,986 16.631,987 8.075,988 12.515,989 -1,990 15.591,991 -2.159,992 9.447,993 11.707,994 1.109,995 19.095,996 9.363,997 3.122,998 -1.149,999 17.416,1000 -2.347,1001 10.384,1002 12.795,1004 21.364,1005 10.298,1006 2.532,1007 10.718,1008 19.255,1009 -2.917,1010 11.582,1011 14.362,1012 1.045,1013 23.771,1014 11.482,1015 2.26,1016 7.274,1017 21.104,1018 4.086,1019 12.623,1020 15.587,1022 26.099,1023 12.518,1024 1.891,1025 6.858,1026 22.962,1027 3.446,1028 13.779,1029 17.076,1030 0.994,1031 28.486,1032 13.662,1033 1.505,1034 4.868,1035 24.827,1036 2.908,1037 14.87,1038 18.379,1040 30.839,1041 14.745,1042 1.286,1043 3.184,1044 26.698,1045 2.596,1046 16.01,1047 19.827,1048 0.952,1049 33.217,1050 15.875,1051 1.059,1052 2.855,1053 28.573,1054 2.091,1055 17.125,1056 21.174,1058 35.58,1059 16.981,1060 3281,1061 5478,1062 14.504,1063 22.279,1064 31.132,1065 32.127,1066 31.241,1067 30.736,1068 30.713,1069 41.565,1070 4.341,1071 84.24,1072 30.331,1073 5.349,1074 5.619,1075 6.472,1076 5.152,1077 5.122,1078 7.086,1079 1.96,1080 17.864,1081 5.093,1082 5.163,1083 1.482,1084 1.53,1085 1.488,1086 1.464,1087 1.463,1088 1.979,1089 0.207,1090 4.011,1091 1.444,1092 4.003,1093 4.035,1094 3.96,1095 3.916,1096 7.429,1097 3.92,1098 3.891,1099 3.922,1100 3.82,1101 3.834,1102 4.863,1103 3.827,1104 3.454,1105 3.526,1106 3.372,1107 3.239,1108 4.738,1109 3.263,1110 3.282,1111 3.339,1112 3.196,1113 3.06,1114 4.497,1115 3.083,1116 2.984,1117 3.03,1118 2.883,1119 2.857,1120 3.974,1121 2.857,1122 2.854,1123 2.925,1124 2.687,1125 2.735,1126 3.674,1127 2.715,1128 2.678,1129 2.753,1130 2.528,1131 2.483,1132 3.655,1133 2.489,1134 2.569,1135 2.654,1136 2.455,1137 2.344,1138 3.468,1139 2.367,1140 0.213,1141 0.172,1142 0.318,1143 0.196,1144 0.149,1145 4.473,1146 0.195,1147 3.619,1148 0.047,1149 6.67,1150 0.51,1151 4.113,1152 0.147,1153 3.122,1154 4.086,1155 0.98,1156 10.718,1157 3.093,1158 1.953,1159 1.928,1160 2.053,1161 2.066,1162 1.168,1163 2.059,1164 1.898,1165 1.87,1166 2.013,1167 1.98,1168 1.111,1169 1.995,1170 1.379,1171 1.312,1172 1.574,1173 1.627,1174 0.69,1175 1.615,1176 1.196,1177 1.146,1178 1.375,1179 1.468,1180 0.371,1181 1.447,1182 0.966,1183 0.922,1184 1.181,1185 1.137,1186 0.241,1187 1.148,1188 0.886,1189 0.821,1190 1.18,1191 1.062,1192 0.218,1193 1.107,1194 0.654,1195 0.583,1196 0.955,1197 0.901,1198 0.017,1199 0.926,1200 0.519,1201 0.438,1202 0.813,1203 0.784,1205 0.796,1206 3.761,1208 5.043,1210 6.547,1212 8.151,1214 9.808,1222 0.671,1223 5.761,1231 21.413,1232 48.536,1233 96.941,1234 113.861,1235 136.39,1236 148,1237 150,1238 23.446,1239 6.567,1240 57.78,1241 57.78,1242 18,1243 12.021,1244 3.907,1245 3.17,1246 27.84,1247 55,1248 54,1249 0.248,1250 133.435,1251 229.85,1252 317.342,1253 5683,1255 13.079,1256 0.688,1257 0.54,1258 13.079,1259 10.259,1260 9.343,1261 0.445,1262 0.29,1263 6.032,1264 9.083,1265 5.916,1266 4.93,1267 9.343,1268 6.096,1269 8.008,1270 0.286,1271 0.153,1272 8.008,1273 4.286,1274 6.875,1275 0.186,1276 0.081,1277 6.875,1278 2.999,1279 5.669,1280 0.121,1281 0.043,1282 5.669,1283 2.031,1284 4.725,1285 0.08,1286 0.023,1287 4.725,1288 1.358,1289 0.381,1290 58,1291 0.263,1292 19.002,1293 0.697,1294 98,1295 278.046,1296 105.432,1297 275.556,1298 379.48,1299 258,1300 114,1301 281.778,1302 121.988,1303 287.303,1304 416.88,1305 271,1306 5} {0 CHEMBL2348729,1 1.56,2 6.333,3 1.369,4 1.874,5 57.845,6 7.26,7 0.375,8 3.429,9 3.568,10 2.969,11 2.945,12 4.549,13 2.924,14 3.926,15 4.116,16 3.268,17 3.293,18 5.015,19 3.242,20 4.15,21 4.386,22 3.339,23 3.355,24 5.252,25 3.295,26 4.069,27 4.31,28 3.182,29 3.197,30 5.174,31 3.149,32 3.956,33 4.2,34 2.917,35 3.066,36 5.045,37 2.978,38 3.822,39 4.086,40 2.498,41 2.93,42 4.727,43 2.773,44 3.66,45 3.938,46 2.142,47 2.721,48 4.524,49 2.517,50 3.39,51 3.702,52 1.572,53 2.289,54 4.27,55 2.03,56 0.047,57 0.431,58 5.906,59 2.368,60 5.033,61 3.278,62 0.128,63 0.647,64 10.572,65 3.862,66 13.508,67 5.591,68 0.184,69 0.73,70 14.284,71 4.598,72 26.16,73 6.897,74 0.157,75 0.666,76 13.313,77 3.493,78 22.28,79 5.537,80 0.215,81 0.573,82 12.029,83 3.248,84 27.108,85 5.057,86 0.147,87 0.47,88 10.623,89 3.358,90 21.288,91 5.005,92 0.106,93 0.367,94 9.167,95 3.217,96 18.227,97 4.681,98 0.084,99 0.24,100 7.333,101 2.508,102 17.335,103 3.685,104 8,105 21,106 0.307,107 0.667,108 0.799,109 0.841,110 0.869,111 0.883,112 2.796,113 0.945,114 -3.93,115 -3.89,116 -3.69,119 39.3,120 1,121 1,124 1,133 4,134 2,147 2,157 1,159 7,162 2,164 2,166 3,168 6,171 1,172 4,175 1,176 5,178 3,182 5,187 4,190 1,194 3,197 1,199 3,202 3,211 1,213 4,217 1,224 3,229 1,237 1,255 210,256 10.336,257 10.336,258 10.336,259 10.336,260 10.336,261 9.272,262 10.199,263 6.398,264 10.449,265 7.864,266 7.864,267 7.864,268 7.864,269 7.864,270 6.222,271 11.734,272 2.966,273 8.017,274 3.247,275 1.416,276 0.741,277 0.527,278 0.384,279 0.313,280 3.447,284 1,285 196,286 2.236,289 63.74,292 54.945,295 1.022,296 12.443,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 32.5,307 95,308 4.473,309 3.619,310 6.67,311 4.112,312 3.121,313 4.085,314 0.98,315 10.717,316 3.092,317 3.66,318 3.012,319 5.604,320 3.281,321 2.302,322 2.915,323 0.721,324 7.18,325 2.245,326 3.339,327 2.244,328 4.681,329 2.889,330 1.903,331 2.597,333 4.889,334 1.866,335 2.744,336 1.63,337 3.773,338 2.441,339 1.466,340 1.817,342 2.972,343 1.428,344 2.575,345 1.341,346 3.595,347 2.268,348 1.279,349 1.577,351 2.829,352 1.264,353 2.446,354 1.268,355 3.37,356 1.997,357 1,358 1.385,360 2.276,361 0.994,362 1.616,363 0.873,364 2.783,365 1.432,366 0.442,367 0.486,369 0.807,370 0.433,371 1.132,372 0.386,373 2.387,374 0.886,375 -0.121,376 -0.139,378 -0.217,379 -0.121,380 0.832,381 -0.417,382 2.192,383 0.421,384 -0.565,385 -0.73,386 -1.365,387 -0.554,388 0.614,389 -0.432,390 2,391 0.118,392 -0.893,393 -1.13,394 -2.014,395 -0.896,396 0.264,397 -0.854,398 1.427,399 -0.021,400 -1,401 -1.383,402 -2.192,403 -0.978,404 -0.184,405 -1.161,406 1.239,407 -0.39,408 -1.395,409 -1.656,411 -3.197,412 -1.394,413 -0.353,414 -1.471,415 1.108,416 -0.656,417 -1.656,418 -2.072,420 -4.62,421 -1.669,422 -0.5,423 -1.687,424 0.711,425 -0.941,426 -1.882,427 -2.209,429 -5.367,430 -1.773,431 -0.798,432 -1.852,433 0.321,434 -1,435 -2,436 -2.544,437 -0.721,438 -5.553,439 -1.938,440 7.033,441 0.469,442 0.26,443 0.017,444 18.25,445 1.217,446 9,447 0.6,448 9.25,449 0.617,450 9.689,451 0.646,452 16.367,453 0.585,454 11.041,455 0.736,456 3.693,457 0.246,458 3.632,459 0.242,460 0.118,462 0.284,466 0.699,467 1.166,468 0.817,469 1.039,470 0.562,471 0.953,472 0.604,473 1.143,474 0.845,475 1.067,476 0.557,477 1.001,478 0.774,479 1.064,480 0.751,481 0.933,482 0.767,483 0.854,484 1.306,485 1.176,486 1.009,487 0.96,488 1.017,489 0.922,490 1.3,491 1.025,492 1.214,493 0.99,494 1.153,495 1.061,496 1.152,497 0.866,498 1.276,499 1.057,500 1.11,501 1.162,502 0.929,503 0.881,504 1.169,505 1.155,506 1.125,507 1.207,508 0.892,509 0.839,510 1.003,511 1.097,512 1.287,513 1.1,514 2,516 1.778,517 1,518 0.707,519 0.299,520 0.162,521 0.102,522 0.02,524 1462,525 3829,526 2.032,527 46.4,528 3,529 6,532 2,534 2,536 1.535,537 1.915,538 2.693,539 0.496,543 1,545 43.692,546 1.56,547 3.391,548 4.066,549 4.28,550 4.423,551 4.495,552 2.206,553 3.774,554 3.873,555 2.761,556 289.876,557 6.514,558 2345.2,560 1,563 134.606,564 1.338,565 3.843,566 0.125,568 0.085,569 0.045,570 0.039,571 0.023,572 0.02,573 0.02,574 0.01,576 0.368,577 0.83,578 1,579 1.429,580 57.727,581 0.023,582 0.076,583 0.03,584 0.031,585 -0.031,586 0.029,587 0.165,588 -0.029,589 0.05,590 -0.042,591 0.072,592 -0.021,593 0.161,594 -0.075,595 0.21,596 0.039,597 0.13,598 0.115,599 -0.178,600 -0.152,601 -0.022,602 -0.066,603 -0.027,604 -0.017,605 -0.141,606 -0.016,607 -0.229,608 -0.093,609 -0.074,610 -0.158,611 -0.232,612 0.064,613 -0.314,614 -0.104,615 -0.184,616 -0.199,617 -0.095,618 -0.054,619 -0.206,620 -0.157,621 -0.131,622 -0.195,623 0.021,624 -0.148,625 0.008,626 -0.11,627 -0.043,628 -0.069,629 1.812,630 4.459,631 0.667,632 8.533,633 1.002,634 1.135,635 2.702,636 7.301,637 0.653,638 2.833,639 3.091,640 3.367,641 3.611,642 3.829,643 3.738,644 3.689,645 3.584,646 3.466,647 2.89,648 3.869,649 0.622,650 203.27,651 2.833,652 4.317,653 5.153,654 6.014,655 6.878,656 7.751,657 8.624,658 9.5,659 10.376,660 11.254,661 10.7,663 1,668 1,670 1,675 4,680 2,682 6,699 28,700 8,701 1,702 16,704 29,705 11,706 6,707 2,708 4,709 2,710 2,711 3,715 1,719 1,721 8,722 3,724 2,728 1,730 1,731 2,733 1,736 13,737 4,738 2,739 4,743 3,745 1,747 0.5,748 1,760 2,763 1,773 1,777 1,781 1,785 15,789 2,790 2,801 3.6,804 1,808 7.833,809 5.2,810 3.5,811 1.829,812 1.692,813 1.29,814 0.968,815 2.903,816 7.536,817 3.091,818 3.597,819 4.155,820 4.69,821 5.186,822 5.258,823 5.483,824 5.558,825 5.79,826 5.386,827 1,828 22,829 5.517,830 -0.001,831 2.265,832 7.811,833 10.487,835 8.241,837 2.311,838 34.667,839 0.004,842 129.482,843 64.774,844 52.562,846 25.145,849 64.774,850 154.627,851 52.562,852 8.825,853 22.528,854 55.916,855 32.177,856 23.034,858 129.482,860 129.482,861 117.336,862 25.145,865 105.94,866 48.687,869 66.027,870 51.309,873 129.482,874 77.707,875 64.774,878 129.482,879 18.044,880 46.73,881 35.899,882 41.808,883 129.482,884 77.707,885 64.774,887 0.555,888 0.332,889 0.19,890 0.111,891 10,892 4,893 0.103,894 3,895 1,896 1.2,897 2.718,898 96.052,899 0.2,900 10,901 58.603,904 10.026,905 4.343,906 1.96,908 77.707,909 7.449,914 1.542,916 35.899,917 271.963,918 21,922 11.459,924 3.995,925 0.597,926 28.051,927 31.78,928 0.325,929 0.705,930 0.846,931 0.89,932 0.92,933 0.935,934 4.284,935 -0.121,936 5.106,937 0.807,938 3.761,939 4.277,940 1.376,941 5.905,942 3.728,943 5.456,944 -0.565,945 6.653,946 -0.217,947 3.219,948 3.951,950 6.843,951 3.192,952 6.747,953 -0.893,954 8.315,955 -1.365,956 5.313,957 6.391,958 1.219,959 9.979,960 5.251,961 8.081,962 -1,963 10.048,964 -2.014,965 5.673,966 6.949,968 11.797,969 5.623,970 9.453,971 -1.395,972 11.827,973 -2.192,974 7.2,975 8.832,976 1.115,977 14.438,978 7.12,979 10.853,980 -1.656,981 13.636,982 -3.197,983 7.991,984 9.816,986 16.588,987 7.921,988 12.275,989 -1.882,990 15.466,991 -4.62,992 9.282,993 11.455,994 1.046,995 19.062,996 9.19,997 3.121,998 -2,999 17.311,1000 -5.367,1001 10.27,1002 12.649,1004 21.343,1005 10.181,1006 2.302,1007 10.717,1008 19.167,1009 -5.553,1010 11.466,1011 14.172,1012 0.996,1013 23.756,1014 11.361,1015 1.903,1016 7.18,1017 21.031,1018 4.085,1019 12.54,1020 15.472,1022 26.089,1023 12.433,1024 1.466,1025 4.889,1026 22.902,1027 2.915,1028 13.699,1029 16.938,1030 0.957,1031 28.478,1032 13.58,1033 1.279,1034 2.972,1035 24.777,1036 2.597,1037 14.81,1038 18.29,1040 30.834,1041 14.684,1042 1,1043 2.829,1044 26.657,1045 1.817,1046 15.955,1047 19.728,1048 0.926,1049 33.213,1050 15.819,1051 0.442,1052 2.276,1053 28.539,1054 1.577,1055 17.081,1056 21.107,1058 35.577,1059 16.938,1060 1544,1061 2598,1062 10.633,1063 18.279,1064 23.328,1065 24.245,1066 24.202,1067 23.015,1068 23.023,1069 29.724,1070 3.402,1071 63.34,1072 22.644,1073 5.331,1074 5.619,1075 6.531,1076 5.149,1077 5.121,1078 7.085,1079 1.96,1080 17.861,1081 5.092,1082 6.296,1083 1.458,1084 1.515,1085 1.513,1086 1.438,1087 1.439,1088 1.858,1089 0.213,1090 3.959,1091 1.415,1092 3.992,1093 4.023,1094 3.952,1095 3.904,1096 7.429,1097 3.91,1098 3.631,1099 3.709,1100 3.474,1101 3.463,1102 4.85,1103 3.451,1104 3.399,1105 3.467,1106 3.307,1107 3.172,1108 4.505,1109 3.199,1110 3.157,1111 3.219,1112 3.057,1113 2.944,1114 4.156,1115 2.964,1116 2.856,1117 2.946,1118 2.632,1119 2.653,1120 3.764,1121 2.634,1122 2.599,1123 2.67,1124 2.459,1125 2.361,1126 3.604,1127 2.378,1128 2.569,1129 2.654,1130 2.427,1131 2.323,1132 3.385,1133 2.343,1134 2.202,1135 2.342,1136 1.871,1137 1.793,1138 3.059,1139 1.777,1140 0.28,1141 0.226,1142 0.417,1143 0.257,1144 0.195,1145 4.473,1146 0.255,1147 3.619,1148 0.061,1149 6.67,1150 0.67,1151 4.112,1152 0.193,1153 3.121,1154 4.085,1155 0.98,1156 10.717,1157 3.092,1158 1.946,1159 1.922,1160 2.034,1161 2.06,1162 1.178,1163 2.05,1164 1.632,1165 1.555,1166 1.914,1167 1.833,1168 1.106,1169 1.864,1170 1.309,1171 1.249,1172 1.492,1173 1.578,1174 0.55,1175 1.557,1176 1.082,1177 1.028,1178 1.341,1179 1.37,1180 0.359,1181 1.367,1182 0.875,1183 0.783,1184 1.173,1185 1.094,1186 0.24,1187 1.123,1188 0.546,1189 0.48,1190 0.889,1191 0.849,1193 0.871,1194 0.51,1195 0.419,1196 0.805,1197 0.784,1199 0.793,1200 0.178,1201 0.024,1202 0.673,1203 0.594,1205 0.625,1206 3.497,1208 4.762,1210 6.263,1212 7.883,1214 9.567,1216 2.084,1222 1.873,1223 5.667,1231 17.413,1232 43.692,1233 94.954,1234 113.851,1235 119.851,1236 123.851,1237 125.851,1238 19.698,1239 5.844,1240 57.78,1241 57.78,1242 12,1243 11.792,1244 3.17,1245 2.585,1246 23.459,1247 34,1248 41,1249 0.363,1250 111.242,1251 191.83,1252 263.189,1253 1992,1255 10.673,1256 0.712,1257 0.572,1258 10.673,1259 8.579,1260 7.326,1261 0.458,1262 0.315,1263 4.975,1264 7.061,1265 4.857,1266 4.1,1267 7.326,1268 5.039,1269 6.069,1270 0.289,1271 0.161,1272 6.069,1273 3.374,1274 5.133,1275 0.183,1276 0.08,1277 5.133,1278 2.239,1279 4.21,1280 0.117,1281 0.041,1282 4.21,1283 1.493,1284 3.544,1285 0.079,1286 0.022,1287 3.544,1288 1.01,1289 0.533,1290 45.894,1291 0.307,1292 14.956,1293 1.101,1294 74,1295 222.046,1296 81.432,1297 216.48,1298 295.83,1299 202,1300 86,1301 219.778,1302 93.822,1303 221.473,1304 323.18,1305 209,1306 5} {0 CHEMBL2348730,1 1.496,2 8.9,3 1.553,4 2.41,5 78.733,6 6.81,7 0.273,8 3.783,9 3.927,10 3.28,11 3.279,12 4.775,13 3.248,14 4.355,15 4.561,16 3.591,17 3.682,18 5.297,19 3.614,20 4.645,21 4.904,22 3.633,23 3.81,24 5.549,25 3.7,26 4.621,27 4.9,28 3.455,29 3.681,30 5.486,31 3.553,32 4.514,33 4.813,34 3.244,35 3.505,36 5.38,37 3.364,38 4.325,39 4.622,40 3.044,41 3.362,42 5.096,43 3.209,44 4.166,45 4.443,46 3.059,47 3.27,48 5.001,49 3.157,50 4.069,51 4.308,52 3.056,53 3.283,54 4.981,55 3.179,56 0.057,57 0.623,58 9.288,59 3.481,60 5.686,61 5.118,62 0.198,63 0.985,64 17.393,65 5.721,66 16.491,67 8.818,68 0.298,69 1.156,70 24.085,71 7.742,72 31.191,73 11.96,74 0.21,75 1.065,76 23.767,77 6.989,78 28.294,79 11.306,80 0.335,81 0.916,82 21.852,83 5.87,84 35.495,85 9.713,86 0.223,87 0.762,88 17.866,89 5.291,90 22.453,91 8.445,92 0.17,93 0.684,94 15.083,95 4.337,96 19.642,97 7.004,98 0.21,99 0.661,100 13.45,101 4.08,102 19.527,103 6.371,104 2,105 29,106 0.269,107 0.571,108 0.708,109 0.814,110 0.832,111 0.841,112 3.057,113 0.993,114 -3.82,115 -3.79,116 -3.6,119 37.5,121 3,124 4,133 4,134 2,147 2,157 1,159 8,162 4,164 2,166 2,168 7,171 1,172 5,174 1,175 1,176 4,178 3,182 4,187 4,193 1,194 3,197 1,199 4,206 2,209 1,211 1,217 4,224 2,228 1,229 2,234 2,237 5,247 1,250 6,255 496,256 13.897,257 13.897,258 13.897,259 13.897,260 13.897,261 12.832,262 16.252,263 8.516,264 14.126,265 10.882,266 10.882,267 10.882,268 10.882,269 10.882,270 9.24,271 19.537,272 4.046,273 11.216,274 3.826,275 2.151,276 1.388,277 0.8,278 0.7,279 0.65,280 3.745,283 1,284 1,285 387,286 2.345,289 158.242,292 81.595,295 1.23,296 14.371,298 1,299 1,300 1,301 1,302 1,303 1,304 1,305 1,306 43,307 178,308 4.473,309 3.619,310 6.67,311 4.112,312 3.121,313 4.085,314 0.98,315 10.717,316 3.092,317 3.665,318 3.017,319 5.605,320 3.453,321 2.525,322 2.916,323 0.8,324 7.193,325 2.346,326 3.512,327 2.825,328 5.338,329 3.268,330 2.29,331 2.598,332 0.721,333 6.951,334 2.232,335 3.338,336 2.238,337 4.68,338 2.884,339 1.899,340 2.513,342 4.887,343 1.861,344 2.742,345 1.652,346 3.788,347 2.539,348 1.557,349 1.814,351 3.268,352 1.527,353 2.589,354 1.371,355 3.635,356 2.284,357 1.294,358 1.592,360 2.868,361 1.279,362 2.517,363 1.338,364 3.595,365 2.14,366 1.174,367 1.487,369 2.751,370 1.131,371 2.153,372 1.268,373 3.293,374 1.984,375 1,376 1.098,378 2.136,379 0.983,380 2,381 1.077,382 3.247,383 1.907,384 0.92,385 1,386 2.125,387 0.903,388 1.473,389 0.774,390 2.814,391 1.265,392 0.261,393 0.291,394 0.601,395 0.259,396 0.957,397 0.208,398 2.452,399 0.727,400 -0.256,401 -0.285,402 -0.587,403 -0.249,404 0.807,405 -0.417,406 2.295,407 0.413,408 -0.568,409 -0.715,411 -1.411,412 -0.556,413 0.614,414 -0.427,415 2,416 0.144,417 -0.836,418 -0.927,420 -1.883,421 -0.814,422 0.307,423 -0.784,424 1.668,425 0.103,426 -0.907,427 -1,429 -2.169,430 -0.917,432 -0.79,433 1.555,434 -0.049,435 -1,436 -1.33,438 -2.347,439 -0.946,440 9.433,441 0.472,442 0.329,443 0.016,444 22,445 1.1,446 9,447 0.45,448 13,449 0.65,450 16.113,451 0.806,452 22.367,453 0.559,454 13.788,455 0.689,456 4.271,457 0.214,458 5.573,459 0.279,460 0.035,462 0.254,466 0.744,467 1.376,468 0.867,469 1.16,470 0.522,471 1.044,472 0.835,473 1.179,474 0.998,475 1.082,476 0.532,477 1.054,478 0.787,479 0.997,480 0.91,481 0.995,482 0.659,483 0.971,484 0.961,485 1.168,486 0.956,487 1.065,488 0.767,489 1.012,490 1.067,491 0.886,492 0.997,493 0.856,494 0.922,495 0.899,496 0.974,497 0.88,498 0.965,499 0.889,500 0.913,501 0.918,502 1.138,503 0.984,504 0.948,505 0.865,506 1.075,507 0.874,508 1.207,509 0.938,510 1.174,511 0.952,512 1.189,513 1.037,514 2.5,515 0.041,516 2,517 1.063,518 0.698,519 0.333,520 0.222,521 0.137,522 0.107,523 0.078,524 4114,525 8927,526 2.138,527 50,528 2,529 12,532 2,534 4,536 1.614,537 2.069,538 3.145,539 0.361,541 1,543 1,545 59.835,546 1.496,547 3.17,548 3.934,549 4.522,550 4.622,551 4.672,552 2.485,553 3.784,554 4.296,555 3.279,556 622.941,557 7.318,558 6497.98,559 1,560 1,562 1,563 212.877,564 1.076,565 4.283,566 0.114,567 0.006,568 0.069,569 0.037,570 0.03,571 0.019,572 0.015,573 0.009,574 0.007,575 0.006,576 0.31,577 0.5,578 1,579 0.432,580 89.37,581 0.043,582 -0.075,583 0.06,584 -0.023,585 0.032,586 0.011,587 0.046,588 -0.01,589 -0.043,590 -0.046,591 0.079,592 -0.054,593 0.116,594 0.009,595 0.057,596 -0.008,597 0.141,598 0.012,599 -0.031,600 -0.218,601 0.021,602 -0.117,603 0.075,604 -0.05,605 0.005,606 0.041,607 0.006,608 0.034,609 0.024,610 0.024,611 -0.038,612 0.035,613 0.017,614 0.041,615 -0.075,616 0.037,617 -0.118,618 -0.02,619 0.04,620 0.075,621 -0.114,622 0.08,623 -0.121,624 0.13,625 -0.192,626 0.026,627 -0.156,628 -0.074,629 1.804,630 4.698,631 0.8,632 14.28,633 0.995,634 1.138,635 2.595,636 6.734,637 0.639,638 3.135,639 3.401,640 3.664,641 3.892,642 4.094,643 3.989,644 4.025,645 4.06,646 4.159,647 4.06,648 5.41,649 0.6,650 272.39,651 3.135,652 4.635,653 5.468,654 6.319,655 7.169,656 8.028,657 8.885,658 9.748,659 10.609,660 11.475,661 10,663 1,664 1,668 1,670 1,675 4,680 2,682 6,699 40,700 8,701 1,702 22,704 42,705 15,706 6,707 2,708 4,709 2,710 3,711 4,716 3,719 3,721 8,722 7,724 2,728 1,730 1,731 2,732 1,733 1,736 20,737 5,738 2,739 5,743 4,745 1,747 0.667,748 1,760 3,763 1,773 1,774 1,777 2,785 20,789 7,790 2,794 1,801 2.5,804 1,808 9.667,809 6.9,810 4.5,811 2.629,812 1.588,813 1.239,814 0.987,815 4.213,816 8.222,817 3.332,818 3.795,819 4.301,820 4.795,821 5.262,822 5.328,823 5.57,824 5.688,825 5.981,826 5.769,827 0.833,828 29,829 7.417,831 3.114,832 7.608,833 14.57,835 12.062,837 2.108,838 42.167,839 0.001,842 211.88,843 67.335,844 55.686,846 25.145,849 67.335,850 237.025,851 55.686,853 33.915,854 55.916,855 32.177,856 26.158,858 211.88,860 211.88,861 123.021,862 25.145,865 164.795,866 72.229,869 71.713,870 51.309,873 211.88,874 80.831,875 67.335,878 211.88,879 29.43,880 41.029,881 35.899,882 41.808,883 211.88,884 80.831,885 67.335,887 0.564,888 0.333,889 0.184,890 0.099,891 14,892 5,893 0.095,894 4,895 1,896 1.125,897 3.375,898 145.337,899 0.125,900 16,901 82.439,904 13.438,905 6.27,906 3.149,908 80.831,909 7.556,914 1.567,916 35.899,917 360.046,918 27,922 11.698,924 4.122,925 0.624,926 39.803,927 45.524,928 0.281,929 0.596,930 0.739,931 0.85,932 0.868,933 0.878,934 4.549,935 1,936 5.407,937 2.751,938 4.078,939 4.477,940 1.593,941 6.168,942 4.023,943 5.684,944 0.92,945 6.927,946 2.136,947 3.434,948 4.06,949 0.325,950 7.002,951 3.357,952 6.952,953 0.261,954 8.556,955 2.125,956 5.602,957 6.499,958 1.347,959 10.127,960 5.496,961 8.258,962 -0.256,963 10.257,964 0.601,965 5.861,966 7.005,967 0.268,968 11.884,969 5.75,970 9.605,971 -0.568,972 12.005,973 -0.587,974 7.433,975 8.883,976 1.2,977 14.509,978 7.296,979 10.982,980 -0.836,981 13.787,982 -1.411,983 8.141,984 9.842,985 0.188,986 16.631,987 8.01,988 12.383,989 -0.907,990 15.593,991 -1.883,992 9.451,993 11.475,994 1.103,995 19.094,996 9.301,997 3.121,998 -1,999 17.417,1000 -2.169,1001 10.382,1002 12.66,1003 0.125,1004 21.363,1005 10.241,1006 2.525,1007 10.717,1008 19.255,1009 -2.347,1010 11.582,1011 14.18,1012 1.035,1013 23.77,1014 11.427,1015 2.29,1016 7.193,1017 21.104,1018 4.085,1019 12.621,1020 15.476,1021 0.082,1022 26.098,1023 12.471,1024 1.899,1025 6.951,1026 22.962,1027 2.916,1028 13.777,1029 16.941,1030 0.984,1031 28.484,1032 13.617,1033 1.557,1034 4.887,1035 24.826,1036 2.598,1037 14.866,1038 18.292,1039 0.054,1040 30.837,1041 14.708,1042 1.294,1043 3.268,1044 26.697,1045 2.513,1046 16.006,1047 19.73,1048 0.943,1049 33.215,1050 15.841,1051 1.174,1052 2.868,1053 28.572,1054 1.814,1055 17.12,1056 21.108,1057 0.035,1058 35.579,1059 16.952,1060 3944,1061 5973,1062 15.197,1063 25.569,1064 32.376,1065 33.176,1066 32.603,1067 32.126,1068 32.082,1069 38.792,1070 5.002,1071 86.993,1072 31.223,1073 5.473,1074 5.619,1075 6.472,1076 5.153,1077 5.121,1078 7.085,1079 1.96,1080 17.861,1081 5.092,1082 5.411,1083 1.472,1084 1.508,1085 1.482,1086 1.46,1087 1.458,1088 1.763,1089 0.227,1090 3.954,1091 1.419,1092 3.996,1093 4.031,1094 3.955,1095 3.906,1096 7.429,1097 3.912,1098 3.851,1099 3.918,1100 3.718,1101 3.695,1102 4.851,1103 3.689,1104 3.528,1105 3.607,1106 3.407,1107 3.333,1108 4.506,1109 3.338,1110 3.367,1111 3.431,1112 3.266,1113 3.137,1114 4.333,1115 3.162,1116 3.111,1117 3.206,1118 3.014,1119 2.941,1120 3.994,1121 2.928,1122 3.109,1123 3.169,1124 2.866,1125 2.912,1126 3.667,1127 2.91,1128 2.881,1129 2.97,1130 2.683,1131 2.665,1132 3.534,1133 2.656,1134 2.643,1135 2.725,1136 2.481,1137 2.409,1138 3.474,1139 2.421,1140 0.203,1141 0.164,1142 0.303,1143 0.187,1144 0.142,1145 4.473,1146 0.186,1147 3.619,1148 0.045,1149 6.67,1150 0.487,1151 4.112,1152 0.141,1153 3.121,1154 4.085,1155 0.98,1156 10.717,1157 3.092,1158 1.946,1159 1.922,1160 2.063,1161 2.066,1162 1.413,1163 2.061,1164 1.831,1165 1.764,1166 2.027,1167 2.014,1168 1.141,1169 2.025,1170 1.501,1171 1.423,1172 1.76,1173 1.726,1174 1.036,1175 1.743,1176 1.275,1177 1.219,1178 1.513,1179 1.549,1180 0.825,1181 1.522,1182 1.153,1183 1.064,1184 1.43,1185 1.376,1186 0.567,1187 1.429,1188 1.038,1189 0.987,1190 1.297,1191 1.305,1192 0.39,1193 1.302,1194 0.884,1195 0.79,1196 1.184,1197 1.116,1198 0.25,1199 1.142,1200 0.605,1201 0.528,1202 0.977,1203 0.905,1204 0.111,1205 0.94,1206 3.807,1208 5.081,1210 6.575,1212 8.171,1214 9.821,1222 8.233,1223 5.889,1227 2.477,1231 24.015,1232 59.835,1233 126.819,1234 157.367,1235 180.877,1236 184.877,1237 186.877,1238 27.264,1239 6.633,1240 61.02,1241 61.02,1242 18,1243 12.022,1244 3.17,1245 2.585,1246 30.106,1247 64,1248 62,1249 0.228,1250 149.012,1251 259.67,1252 355.349,1253 6412,1255 13.786,1256 0.689,1257 0.578,1258 13.786,1259 11.562,1260 9.843,1261 0.447,1262 0.331,1263 7.185,1264 9.473,1265 7.077,1266 5.857,1267 9.843,1268 7.281,1269 8.362,1270 0.288,1271 0.182,1272 8.362,1273 5.276,1274 7.116,1275 0.187,1276 0.102,1277 7.116,1278 3.865,1279 5.888,1280 0.123,1281 0.058,1282 5.888,1283 2.765,1284 4.824,1285 0.082,1286 0.033,1287 4.824,1288 1.926,1289 0.358,1290 61.612,1291 0.257,1292 20.131,1293 0.62,1294 102,1295 269.691,1296 111.514,1297 261.754,1298 359.61,1299 246,1300 118,1301 265.89,1302 128.347,1303 267.657,1304 391.3,1305 253,1306 5} {0 CHEMBL2348731,1 1.524,2 7.947,3 0.607,4 0.369,5 74.024,6 6.983,7 0.286,8 3.715,9 3.858,10 3.235,11 3.21,12 4.742,13 3.187,14 4.28,15 4.483,16 3.577,17 3.622,18 5.251,19 3.57,20 4.565,21 4.801,22 3.63,23 3.777,24 5.525,25 3.683,26 4.622,27 4.907,28 3.451,29 3.669,30 5.501,31 3.541,32 4.448,33 4.742,34 3.293,35 3.478,36 5.347,37 3.362,38 4.213,39 4.461,40 3.13,41 3.396,42 5.096,43 3.284,44 4.212,45 4.47,46 3.04,47 3.369,48 5.052,49 3.219,50 4.117,51 4.397,52 2.74,53 3.103,54 5.039,55 2.943,56 0.05,57 0.584,58 8.386,59 3.148,60 6.376,61 4.588,62 0.19,63 0.927,64 15.833,65 5.161,66 16.373,67 7.899,68 0.24,69 1.112,70 21.764,71 7.056,72 30.465,73 10.822,74 0.249,75 1.057,76 24.007,77 7.052,78 32.057,79 11.284,80 0.294,81 0.875,82 20.486,83 5.519,84 36.569,85 9.095,86 0.223,87 0.757,88 15.536,89 4.65,90 24.3,91 7.194,92 0.135,93 0.714,94 15.399,95 5.495,96 17.307,97 8.148,98 0.179,99 0.575,100 14.666,101 4.408,102 27.404,103 6.734,104 5,105 29,106 0.279,107 0.622,108 0.772,109 0.802,110 0.822,111 0.832,112 3.011,113 0.952,114 -3.57,115 -3.54,116 -3.38,119 37.8,121 2,123 1,124 2,126 1,133 4,134 2,147 2,157 1,159 6,162 4,164 2,166 4,168 7,171 1,172 4,175 1,176 4,178 3,182 6,185 1,187 4,190 2,194 2,197 1,199 4,202 4,205 1,206 1,213 4,217 4,220 1,224 2,229 2,241 1,242 1,255 413,256 12.93,257 12.93,258 12.93,259 12.93,260 12.93,261 11.866,262 18.296,263 7.671,264 13.151,265 10.365,266 10.365,267 10.365,268 10.365,269 10.365,270 8.733,271 29.019,272 3.655,273 10.684,274 3.685,275 1.811,276 0.993,277 0.831,278 0.723,279 0.669,280 3.693,284 1,285 327,286 2,289 138.913,292 73.208,295 1.119,296 14.74,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 41,307 151,308 4.476,309 3.62,310 6.675,311 4.119,312 3.13,313 4.086,314 0.98,315 10.743,316 3.096,317 3.744,318 3.069,319 5.686,320 3.589,321 2.629,322 2.956,323 0.8,324 7.678,325 2.52,326 3.511,327 2.779,328 5.336,329 3.248,330 2.287,331 2.618,332 0.721,333 6.69,334 2.201,335 3.334,336 2.365,337 4.898,338 2.974,339 2.007,340 2.524,342 5.643,343 1.924,344 3.017,345 2.098,346 4.606,347 2.795,348 1.826,349 2.033,351 4.73,352 1.76,353 2.732,354 1.341,355 3.697,356 2.274,357 1.284,358 1.788,360 2.853,361 1.27,362 2.523,363 1.269,364 3.595,365 2.008,366 1.013,367 1.48,369 2.549,370 1.005,371 2,372 1.077,373 3.414,374 1.984,375 1,376 1,378 2.275,379 0.983,380 1.595,381 0.901,382 3.014,383 1.383,384 0.391,385 0.436,386 0.928,387 0.384,388 1.098,389 0.355,390 2.564,391 0.908,392 -0.082,393 -0.089,394 -0.181,395 -0.08,396 0.84,397 -0.198,398 2.326,399 0.471,400 -0.524,401 -0.646,402 -1.298,403 -0.519,404 0.617,405 -0.418,406 2,407 0.199,408 -0.749,409 -0.897,411 -1.965,412 -0.705,413 0.495,414 -0.683,415 2,416 0.108,417 -0.904,418 -1,420 -2.194,421 -0.914,423 -0.784,424 1.818,425 -0.049,426 -1,427 -1.315,429 -3,430 -0.946,431 -0.056,432 -0.948,433 1.43,434 -0.276,435 -1.244,436 -1.429,438 -3.06,439 -1.182,440 8.933,441 0.47,442 0.435,443 0.023,444 21.5,445 1.132,446 9,447 0.474,448 12.5,449 0.658,450 14.97,451 0.788,452 21.067,453 0.569,454 13.838,455 0.728,456 4.282,457 0.225,458 4.956,459 0.261,460 0.093,462 0.325,466 0.744,467 1.366,468 0.839,469 1.137,470 0.545,471 1.016,472 0.836,473 1.109,474 0.928,475 0.985,476 0.526,477 0.959,478 0.849,479 1.142,480 0.99,481 1.109,482 0.71,483 1.073,484 0.898,485 1.033,486 0.92,487 0.989,488 0.746,489 0.957,490 1.028,491 0.883,492 0.883,493 0.771,494 0.921,495 0.793,496 1.24,497 0.862,498 1.23,499 0.96,500 1.109,501 1.063,502 0.726,503 1.048,504 1.025,505 1.204,506 0.844,507 1.171,508 1.347,509 1.003,510 1.115,511 1.067,512 1.728,513 1.075,514 3.5,515 0.012,516 2.222,517 1.125,518 1.049,519 0.389,520 0.263,521 0.226,522 0.131,523 0.081,524 3241,525 7558,526 2.113,527 48.6,529 12,532 2,535 4,536 1.603,537 2,538 3,539 0.393,541 1,543 1,545 56.388,546 1.524,547 3.398,548 4.216,549 4.378,550 4.486,551 4.54,552 2.439,553 3.932,554 4.221,555 3.094,556 529.052,557 7.191,558 5105.28,560 1,563 192.75,564 1.324,565 4.189,566 0.167,567 0.006,568 0.077,569 0.039,570 0.046,571 0.019,572 0.015,573 0.015,574 0.013,575 0.016,576 0.413,577 0.67,578 1,579 0.565,580 81.616,581 0.033,582 -0.079,583 0.06,584 -0.024,585 0.005,586 0.013,587 0.041,588 0.056,589 0.011,590 0.039,591 0.083,592 0.026,593 0.043,594 -0.1,595 -0.039,596 -0.107,597 0.096,598 -0.088,599 0.004,600 -0.107,601 0.06,602 -0.049,603 0.06,604 0.006,605 -0.006,606 0.033,607 0.12,608 0.136,609 0.025,610 0.148,611 -0.23,612 0.187,613 -0.26,614 -0.004,615 -0.217,616 -0.113,617 0.034,618 -0.102,619 -0.087,620 -0.177,621 -0.043,622 -0.155,623 -0.148,624 -0.151,625 -0.112,626 -0.119,627 -0.194,628 -0.115,629 1.801,630 4.714,631 0.842,632 11.695,633 0.998,634 1.138,635 2.339,636 5.47,637 0.643,638 3.091,639 3.401,640 3.664,641 3.912,642 4.174,643 4.111,644 4.19,645 4.263,646 4.317,647 4.205,648 4.75,649 0.608,650 258.36,651 3.091,652 4.615,653 5.46,654 6.33,655 7.194,656 8.068,657 8.939,658 9.816,659 10.691,660 11.569,661 10.8,663 1,664 1,668 1,670 1,675 4,680 2,682 6,699 37,700 8,701 1,702 21,704 39,705 14,706 6,707 2,708 4,709 2,710 3,711 4,716 3,719 3,721 8,722 6,724 2,728 1,730 1,731 2,732 1,733 1,736 18,737 5,738 2,739 5,743 4,745 1,747 0.667,748 1,760 3,763 1,773 1,774 1,777 2,781 1,785 19,789 4,790 2,793 1,794 1,801 2.7,804 1,808 9.5,809 6.733,810 4.167,811 2.271,812 1.602,813 1.242,814 0.982,815 3.427,816 8.218,817 3.296,818 3.795,819 4.301,820 4.811,821 5.302,822 5.39,823 5.669,824 5.817,825 6.099,826 5.95,827 1,828 29,829 7.035,831 2.988,832 7.658,833 13.693,835 11.43,837 2.158,838 41,839 0.002,842 188.338,843 68.986,844 55.686,846 25.145,849 68.986,850 213.483,851 55.686,852 8.396,853 27.169,854 55.916,855 32.177,856 26.158,858 188.338,860 188.338,861 124.672,862 25.145,865 141.253,866 72.229,869 64.967,870 59.705,873 188.338,874 80.831,875 68.986,878 188.338,879 22.684,880 49.426,881 35.899,882 41.808,883 188.338,884 80.831,885 68.986,887 0.58,888 0.338,889 0.182,890 0.107,891 15,892 6,893 0.051,894 2,895 1,896 1.125,897 3.168,898 140.916,899 0.125,900 16,901 76.711,904 12.486,905 5.214,906 2.587,908 80.831,909 7.574,914 1.582,916 35.899,917 338.154,918 26,922 11.714,924 4.157,925 0.647,926 36.92,927 42.109,928 0.293,929 0.652,930 0.809,931 0.84,932 0.861,933 0.872,934 4.538,935 1,936 5.434,937 2.549,938 4.078,939 4.477,940 1.593,941 6.225,942 4.023,943 5.701,944 0.391,945 6.978,946 2.275,947 3.611,948 4.159,949 0.325,950 7.096,951 3.53,952 6.985,953 -0.082,954 8.624,955 0.928,956 5.645,957 6.517,958 1.347,959 10.2,960 5.542,961 8.301,962 -0.524,963 10.332,964 -0.181,965 5.994,966 7.049,967 0.268,968 11.937,969 5.881,970 9.652,971 -0.749,972 12.08,973 -1.298,974 7.498,975 8.899,976 1.2,977 14.566,978 7.364,979 11.03,980 -0.904,981 13.858,982 -1.965,983 8.245,984 9.863,985 0.188,986 16.671,987 8.111,988 12.429,989 -1,990 15.658,991 -2.194,992 9.525,993 11.487,994 1.103,995 19.138,996 9.373,997 3.13,998 -1.244,999 17.476,1000 -3,1001 10.472,1002 12.673,1003 0.125,1004 21.399,1005 10.321,1006 2.629,1007 10.743,1008 19.308,1009 -3.06,1010 11.657,1011 14.189,1012 1.035,1013 23.808,1014 11.493,1015 2.287,1016 7.678,1017 21.152,1018 4.086,1019 12.702,1020 15.485,1021 0.082,1022 26.134,1023 12.537,1024 2.007,1025 6.69,1026 23.005,1027 2.956,1028 13.851,1029 16.948,1030 0.984,1031 28.521,1032 13.676,1033 1.826,1034 5.643,1035 24.865,1036 2.618,1037 14.942,1038 18.299,1039 0.054,1040 30.874,1041 14.764,1042 1.284,1043 4.73,1044 26.732,1045 2.524,1046 16.079,1047 19.736,1048 0.943,1049 33.254,1050 15.892,1051 1.013,1052 2.853,1053 28.605,1054 2.033,1055 17.193,1056 21.114,1057 0.035,1058 35.619,1059 17,1060 3156,1061 4942,1062 14.216,1063 23.807,1064 31.577,1065 32.319,1066 32.127,1067 31.177,1068 31.137,1069 37.844,1070 5.002,1071 88.178,1072 30.284,1073 5.476,1074 5.62,1075 6.354,1076 5.158,1077 5.13,1078 7.086,1079 1.96,1080 17.916,1081 5.096,1082 7.49,1083 1.504,1084 1.539,1085 1.53,1086 1.485,1087 1.483,1088 1.802,1089 0.238,1090 4.199,1091 1.442,1092 4.003,1093 4.041,1094 3.96,1095 3.91,1096 7.429,1097 3.916,1098 3.839,1099 3.901,1100 3.718,1101 3.688,1102 4.851,1103 3.686,1104 3.435,1105 3.511,1106 3.354,1107 3.201,1108 4.51,1109 3.231,1110 3.29,1111 3.367,1112 3.178,1113 3.041,1114 4.35,1115 3.059,1116 3.111,1117 3.206,1118 2.932,1119 2.941,1120 3.936,1121 2.91,1122 3.063,1123 3.121,1124 2.866,1125 2.884,1126 3.661,1127 2.886,1128 2.756,1129 2.861,1130 2.541,1131 2.53,1132 3.474,1133 2.52,1134 2.583,1135 2.665,1136 2.456,1137 2.353,1138 3.474,1139 2.37,1140 0.213,1141 0.172,1142 0.318,1143 0.196,1144 0.149,1145 4.476,1146 0.195,1147 3.62,1148 0.047,1149 6.675,1150 0.512,1151 4.119,1152 0.147,1153 3.13,1154 4.086,1155 0.98,1156 10.743,1157 3.096,1158 1.951,1159 1.925,1160 2.061,1161 2.078,1162 1.401,1163 2.073,1164 1.819,1165 1.756,1166 2.006,1167 1.992,1168 1.125,1169 2,1170 1.349,1171 1.277,1172 1.609,1173 1.619,1174 0.825,1175 1.612,1176 1.225,1177 1.149,1178 1.513,1179 1.509,1180 0.747,1181 1.502,1182 1.153,1183 1.064,1184 1.435,1185 1.376,1186 0.447,1187 1.429,1188 1.017,1189 0.967,1190 1.241,1191 1.258,1192 0.341,1193 1.257,1194 0.769,1195 0.665,1196 1.138,1197 1.033,1198 0.24,1199 1.074,1200 0.543,1201 0.471,1202 0.875,1203 0.847,1205 0.871,1206 3.761,1208 5.069,1210 6.589,1212 8.206,1214 9.873,1216 2.143,1222 4.398,1223 6.026,1226 0.429,1227 2.33,1231 22.488,1232 56.388,1233 125.73,1234 155.995,1235 161.995,1236 165.995,1237 167.995,1238 26.102,1239 6.616,1240 61.02,1241 61.02,1242 18,1243 12.107,1244 3.17,1245 2.585,1246 27.786,1247 53,1248 58,1249 0.26,1250 139.419,1251 242.37,1252 331.944,1253 5819,1255 13.242,1256 0.697,1257 0.58,1258 13.242,1259 11.018,1260 9.237,1261 0.44,1262 0.317,1263 6.565,1264 8.866,1265 6.412,1266 5.32,1267 9.237,1268 6.664,1269 8.288,1270 0.286,1271 0.178,1272 8.288,1273 5.169,1274 6.976,1275 0.184,1276 0.099,1277 6.976,1278 3.755,1279 5.671,1280 0.116,1281 0.052,1282 5.671,1283 2.571,1284 4.966,1285 0.078,1286 0.03,1287 4.966,1288 1.925,1289 0.396,1290 58.014,1291 0.265,1292 18.814,1293 0.746,1294 100,1295 267.691,1296 109.514,1297 260.655,1298 357.29,1299 244,1300 117,1301 264.82,1302 127.319,1303 268.551,1304 391.32,1305 252,1306 5} {0 CHEMBL2348732,1 1.671,2 6.353,3 0.514,4 0.264,5 62.802,6 8.188,7 0.333,8 3.444,9 3.562,10 3.075,11 2.981,12 4.706,13 2.986,14 3.887,15 4.036,16 3.393,17 3.301,18 5.209,19 3.288,20 4.094,21 4.27,22 3.377,23 3.367,24 5.383,25 3.341,26 4.01,27 4.21,28 3.33,29 3.296,30 5.219,31 3.262,32 4.033,33 4.225,34 3.362,35 3.264,36 5.373,37 3.251,38 4.045,39 4.242,40 3.124,41 3.138,42 5.396,43 3.106,44 3.858,45 4.098,46 2.682,47 2.795,48 5.317,49 2.703,50 3.378,51 3.657,52 1.611,53 2.18,54 4.524,55 1.988,56 0.078,57 0.428,58 4.671,59 2.251,60 5.912,61 2.694,62 0.191,63 0.627,64 8.307,65 3.626,66 14.421,67 4.648,68 0.336,69 0.711,70 11.84,71 4.162,72 48.787,73 5.076,74 0.198,75 0.671,76 10.813,77 3.989,78 23.928,79 5.427,80 0.265,81 0.674,82 11.045,83 3.726,84 22.931,85 4.961,86 0.308,87 0.613,88 12.061,89 3.766,90 40.264,91 4.543,92 0.344,93 0.44,94 11.586,95 3.59,96 60.439,97 4.727,98 0.223,99 0.239,100 8.047,101 2.339,102 39.145,103 3.081,104 12,105 24,106 0.323,107 0.682,108 0.77,109 0.823,110 0.842,111 0.842,112 2.909,113 0.849,114 -3.28,115 -3.26,116 -3.13,119 42.9,120 1,130 1,131 1,133 5,134 1,147 3,157 1,159 8,162 3,164 3,166 3,168 9,171 1,172 3,175 1,176 3,178 7,181 1,182 5,187 3,190 4,194 6,197 2,199 5,202 3,206 5,211 3,213 2,216 1,217 4,222 1,224 2,229 1,237 1,255 336,256 11.276,257 11.276,258 11.276,259 11.276,260 11.276,261 9.797,262 9.132,263 6.887,264 11.34,265 8.915,266 8.915,267 8.915,268 8.915,269 8.915,270 6.676,271 9.728,272 3.308,273 8.989,274 3.137,275 1.281,276 0.826,277 0.554,278 0.456,279 0.456,280 3.56,284 1,285 220,286 2.449,289 103.894,295 0.962,296 18.427,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 37.5,307 108,308 4.415,309 3.58,310 6.524,311 4.035,312 3.052,313 3.93,314 1.909,315 10.292,316 3.003,317 3.761,318 3.468,319 5.314,320 3.349,321 2.358,322 3.194,323 0.98,324 6.643,325 2.334,326 3.597,327 3.016,328 4.993,329 3.256,330 2.242,331 2.788,332 0.635,333 5.959,334 2.252,335 3.31,336 2.395,337 4.502,338 2.867,339 1.851,340 2.458,342 4.594,343 1.866,344 3.02,345 1.635,346 4.022,347 2.492,348 1.505,349 2.146,351 3.501,352 1.48,353 2.526,354 1.087,355 3.479,356 2,357 1,358 1.5,360 2.478,361 1,362 2.5,363 1,364 3.247,365 1.99,366 1,367 1.411,369 2.136,370 0.989,371 1.548,372 0.976,373 2.778,374 1.23,375 0.22,376 0.261,378 0.524,379 0.22,380 0.906,381 0.566,382 2.4,383 0.48,384 -0.555,385 -0.721,386 -1.349,387 -0.558,388 0.808,389 0.067,390 2.211,391 0.348,392 -0.643,393 -0.809,394 -1.626,395 -0.64,396 0.5,397 -0.381,398 1.814,399 0.093,400 -1,401 -1.288,402 -2,403 -0.97,404 0.4,405 -0.788,406 1.555,408 -1,409 -1.406,411 -2.347,412 -1,413 0.341,414 -0.923,415 1.164,416 -0.03,417 -1,418 -1.5,420 -2.749,421 -1.094,423 -1,424 1.104,425 -0.293,426 -1.311,427 -1.764,429 -3.33,430 -1.337,431 -0.5,432 -1.415,433 1,434 -0.841,435 -1.817,436 -2.095,437 -0.348,438 -4.789,439 -1.73,440 7.867,441 0.463,442 0.421,443 0.025,444 22.5,445 1.324,446 12,447 0.706,448 10.5,449 0.618,450 9.984,451 0.587,452 17.933,453 0.64,454 15.383,455 0.905,456 4.896,457 0.288,458 3.268,459 0.192,460 0.148,462 0.318,466 0.644,467 1.073,468 0.711,469 0.947,470 0.554,471 0.852,472 0.489,473 1.137,474 0.733,475 1.068,476 0.527,477 0.98,478 1.197,479 0.948,480 1.106,481 0.902,482 1.233,483 0.974,484 0.645,485 1.178,486 0.807,487 1.049,488 0.533,489 0.97,490 0.843,491 1.138,492 0.913,493 1.047,494 0.742,495 0.987,496 1.579,497 1.052,498 1.333,499 1.118,500 1.525,501 1.152,502 1.217,503 0.853,504 1.149,505 1.047,506 1.279,507 1.085,508 1.63,509 0.647,510 1.369,511 0.876,512 1.933,513 1.067,514 3.5,516 1.556,517 1,518 0.884,519 0.563,520 0.404,521 0.094,522 0.041,524 2058,525 7079,526 1.994,527 39.3,529 6,532 2,533 3,536 1.577,537 1.855,538 2.738,539 0.468,541 1,543 1,545 46.778,546 1.671,547 3.526,548 3.982,549 4.253,550 4.352,551 4.352,552 2.162,553 3.455,554 4.058,555 2.824,556 384.011,557 6.899,558 3504.46,560 1,563 134.606,564 1.447,565 4.01,566 0.194,568 0.065,569 0.043,570 0.04,571 0.026,572 0.025,573 0.01,574 0.02,576 0.425,577 0.67,578 1,579 1.163,580 69.186,581 -0.021,582 0.097,583 0.013,584 0.043,585 -0.068,586 0.037,587 0.223,588 -0.054,589 0.08,590 -0.081,591 0.097,592 -0.053,593 -0.165,594 0.073,595 -0.192,596 0.048,597 -0.197,598 -0.062,599 0.064,600 -0.165,601 0.1,602 -0.08,603 0.067,604 0.002,605 0.057,606 -0.1,607 0.011,608 -0.121,609 0.062,610 -0.069,611 -0.342,612 -0.098,613 -0.337,614 -0.198,615 -0.224,616 -0.243,617 0.042,618 -0.055,619 -0.029,620 -0.073,621 0.154,622 -0.061,623 -0.287,624 0.038,625 -0.15,626 0.121,627 -0.335,628 0.023,629 1.974,630 4.271,631 0.706,632 10.221,633 1.018,634 1.128,635 2.047,636 4.191,637 0.678,638 2.944,639 3.219,640 3.401,641 3.664,642 3.892,643 3.784,644 3.784,645 3.584,646 3.367,647 3.135,648 4.173,649 0.664,650 229.26,651 2.944,652 4.443,653 5.252,654 6.111,655 6.952,656 7.818,657 8.671,658 9.538,659 10.397,660 11.264,661 10.7,668 2,670 1,675 5,680 1,682 6,699 28,700 10,701 1,702 18,704 29,705 12,706 6,707 1,708 5,709 4,710 2,711 2,715 1,721 11,722 1,724 4,728 2,729 1,730 1,731 4,733 1,736 11,737 5,738 2,739 5,743 3,745 1,747 1,748 2,760 2,766 1,770 1,771 1,777 2,781 1,785 17,790 2,801 7.1,804 2,808 9.167,809 5.283,810 3.806,811 1.524,812 1.944,813 1.328,814 0.964,815 3.237,816 7.879,817 3.258,818 3.773,819 4.23,820 4.759,821 5.265,822 5.287,823 5.581,824 5.685,825 5.762,826 5.668,827 1,828 23,829 6.223,831 2.575,832 8.108,833 11.421,835 8.806,837 2.608,838 44.333,839 0.001,842 105.94,843 83.791,844 52.562,846 50.29,849 83.791,850 156.23,851 52.562,852 8.825,853 35.899,854 56.857,855 62.027,856 23.034,858 105.94,860 105.94,861 136.353,862 50.29,865 105.94,866 50.29,869 61.387,870 65.49,871 9.476,873 105.94,874 102.852,875 83.791,878 105.94,879 18.108,880 65.683,881 35.899,882 66.953,883 105.94,884 102.852,885 83.791,887 0.568,888 0.305,889 0.177,890 0.111,891 11,892 5,893 0.069,894 2,896 1,897 2.884,898 114.165,900 12,901 65.487,904 11.396,905 4.829,906 2.724,908 102.852,909 9.286,914 0.829,916 35.899,917 292.583,918 25,922 22.309,923 1.41,924 3.825,925 0.41,926 28.494,927 31.575,928 0.348,929 0.733,930 0.828,931 0.885,932 0.905,933 0.905,934 4.46,935 0.22,936 5.22,937 2.136,938 3.892,939 4.454,940 2.271,941 5.979,942 3.875,943 5.657,944 -0.555,945 6.742,946 0.524,947 3.434,948 4.135,949 1.593,950 6.804,951 3.428,952 6.946,953 -0.643,954 8.367,955 -1.349,956 5.416,957 6.521,958 3.024,959 9.902,960 5.37,961 8.267,962 -1,963 10.055,964 -1.626,965 5.74,966 6.955,967 3.032,968 11.605,969 5.698,970 9.616,971 -1,972 11.787,973 -2,974 7.231,975 8.853,976 4.08,977 14.226,978 7.153,979 10.986,980 -1,981 13.55,982 -2.347,983 7.948,984 9.681,985 4.415,986 16.302,987 7.864,988 12.376,989 -1.311,990 15.338,991 -2.749,992 9.22,993 11.34,994 5.27,995 18.746,996 9.109,997 3.052,998 -1.817,999 17.144,1000 -3.33,1001 10.141,1002 12.396,1003 5.76,1004 20.975,1005 10.016,1006 2.358,1007 10.292,1008 18.965,1009 -4.789,1010 11.317,1011 13.924,1012 6.517,1013 23.352,1014 11.17,1015 2.242,1016 6.643,1017 20.797,1018 3.93,1019 12.339,1020 15.113,1021 7.081,1022 25.642,1023 12.176,1024 1.851,1025 5.959,1026 22.638,1027 3.194,1028 13.475,1029 16.568,1030 7.787,1031 27.992,1032 13.293,1033 1.505,1034 4.594,1035 24.487,1036 2.788,1037 14.546,1038 17.833,1039 8.39,1040 30.306,1041 14.347,1042 1,1043 3.501,1044 26.341,1045 2.458,1046 15.667,1047 19.249,1048 9.069,1049 32.645,1050 15.45,1051 1,1052 2.478,1053 28.199,1054 2.146,1055 16.761,1056 20.558,1057 9.692,1058 34.97,1059 16.527,1060 2147,1061 4067,1062 11.731,1063 18.972,1064 27.132,1065 27.863,1066 27.054,1067 26.44,1068 26.456,1069 35.377,1070 7.049,1071 72.252,1072 26.289,1073 5.269,1074 5.58,1075 6.326,1076 5.072,1077 5.052,1078 6.93,1079 3.312,1080 17.084,1081 5.003,1082 8.316,1083 1.507,1084 1.548,1085 1.503,1086 1.469,1087 1.47,1088 1.965,1089 0.392,1090 4.014,1091 1.461,1092 3.974,1093 4.004,1094 3.928,1095 3.9,1096 7.433,1097 3.9,1098 3.717,1099 3.764,1100 3.655,1101 3.546,1102 7.428,1103 3.568,1104 3.51,1105 3.552,1106 3.425,1107 3.278,1108 4.837,1109 3.302,1110 2.996,1111 3.04,1112 2.929,1113 2.781,1114 4.649,1115 2.81,1116 2.908,1117 2.992,1118 2.804,1119 2.735,1120 3.889,1121 2.715,1122 2.854,1123 2.925,1124 2.687,1125 2.664,1126 3.869,1127 2.69,1128 2.557,1129 2.661,1130 2.36,1131 2.278,1132 3.674,1133 2.294,1134 2.455,1135 2.505,1136 2.245,1137 2.088,1138 3.512,1139 2.126,1140 0.245,1141 0.199,1142 0.362,1143 0.224,1144 0.17,1145 4.415,1146 0.218,1147 3.58,1148 0.106,1149 6.524,1150 0.572,1151 4.035,1152 0.167,1153 3.052,1154 3.93,1155 1.909,1156 10.292,1157 3.003,1158 1.942,1159 1.917,1160 2.043,1161 2.039,1162 1.131,1163 2.036,1164 1.641,1165 1.601,1166 1.77,1167 1.849,1168 0.777,1169 1.829,1170 1.427,1171 1.379,1172 1.657,1173 1.684,1174 0.682,1175 1.671,1176 0.898,1177 0.862,1178 1.181,1179 1.188,1180 0.218,1181 1.169,1182 0.886,1183 0.821,1184 1.093,1185 1.106,1186 0.124,1187 1.11,1188 0.843,1189 0.757,1190 1.092,1191 1.062,1192 0.039,1193 1.107,1194 0.5,1195 0.397,1196 0.848,1197 0.836,1199 0.844,1200 0.314,1201 0.264,1202 0.48,1203 0.688,1205 0.636,1206 3.611,1208 4.89,1210 6.368,1212 7.942,1214 9.569,1216 1.39,1223 4.874,1231 18.601,1232 46.778,1233 98.732,1234 111.487,1235 119.096,1236 121.851,1237 121.851,1238 26.816,1239 5.935,1240 74.85,1241 74.85,1242 12,1243 11.811,1244 3.459,1245 3,1246 28.129,1247 40,1248 38,1249 0.346,1250 118.975,1251 212.64,1252 282.06,1253 2240,1255 12.251,1256 0.721,1257 0.543,1258 12.251,1259 9.228,1260 8.165,1261 0.454,1262 0.283,1263 5.018,1264 7.818,1265 4.883,1266 4.094,1267 8.165,1268 5.093,1269 7.37,1270 0.307,1271 0.148,1272 7.37,1273 3.542,1274 5.34,1275 0.184,1276 0.075,1277 5.34,1278 2.188,1279 4.525,1280 0.119,1281 0.04,1282 4.525,1283 1.503,1284 3.864,1285 0.081,1286 0.021,1287 3.864,1288 1.001,1289 0.511,1290 51.459,1291 0.292,1292 16.832,1293 1.05,1294 84,1295 295.782,1296 93.979,1297 285.646,1298 378.47,1299 264,1300 95,1301 270.978,1302 103.652,1303 273.063,1304 390.36,1305 256,1306 5} {0 CHEMBL2348733,1 1.632,2 5.643,3 0.493,4 0.243,5 53.358,6 8.14,7 0.4,8 3.261,9 3.39,10 2.89,11 2.816,12 4.537,13 2.818,14 3.667,15 3.807,16 3.196,17 3.15,18 4.967,19 3.129,20 3.877,21 4.061,22 3.184,23 3.209,24 5.143,25 3.162,26 3.795,27 4.007,28 2.981,29 3.065,30 4.957,31 2.999,32 3.754,33 3.988,34 2.891,35 2.898,36 5.077,37 2.838,38 3.598,39 3.846,40 2.428,41 2.533,42 4.87,43 2.462,44 3.058,45 3.364,46 1.523,47 1.84,48 4.138,49 1.696,50 2.058,51 2.403,52 0.28,53 0.863,54 2.803,55 0.657,56 0.069,57 0.364,58 3.979,59 1.755,60 7.899,61 2.133,62 0.112,63 0.523,64 6.315,65 2.924,66 11.2,67 3.717,68 0.194,69 0.595,70 9.2,71 3.567,72 27.452,73 4.611,74 0.112,75 0.54,76 8.75,77 3.233,78 16.592,79 4.402,80 0.161,81 0.49,82 9.143,83 3.017,84 27.082,85 4.26,86 0.206,87 0.373,88 8.669,89 2.32,90 33.124,91 3.015,92 0.131,93 0.191,94 5.73,95 1.433,96 20.231,97 2.046,98 0.053,99 0.055,100 2.28,101 0.555,102 8.669,103 0.844,104 5,105 20,106 0.333,107 0.639,108 0.741,109 0.809,110 0.833,111 0.833,112 2.734,113 0.836,114 -3.17,115 -3.16,116 -3.04,119 43.5,130 1,131 1,133 5,134 1,147 2,152 1,153 1,154 1,157 1,159 8,162 2,163 1,164 2,166 2,168 9,170 1,171 1,172 3,175 1,176 3,177 1,178 7,180 2,182 3,187 3,190 3,192 2,194 4,196 1,197 1,199 4,202 1,204 2,206 3,211 3,215 1,217 1,222 1,255 180,256 9.414,257 9.414,258 9.414,259 9.414,260 9.414,261 8.09,262 7.214,263 5.708,264 9.484,265 7.405,266 7.405,267 7.405,268 7.405,269 7.405,270 5.452,271 8.282,272 2.724,273 7.485,274 2.891,275 1.386,276 0.885,277 0.555,278 0.435,279 0.435,280 3.378,284 1,285 164,286 1.414,289 81.629,295 0.837,296 12.755,299 1,300 0.83,301 0.83,302 0.6,304 1,305 0.75,306 30.5,307 79,308 4.391,309 3.501,310 6.467,311 4.006,312 3.017,313 3.914,314 0.98,315 10.018,316 2.982,317 3.726,318 3.027,319 5.161,320 3.318,321 2.314,322 3.157,323 0.6,324 6.26,325 2.316,326 3.427,327 2.377,328 4.877,329 2.988,330 2,331 2.594,333 5.415,334 1.964,335 3.03,336 1.629,337 4.025,338 2.508,339 1.526,340 2.174,342 3.508,343 1.495,344 2.526,345 1.059,346 3.479,347 2,348 1,349 1.5,351 2.477,352 1,353 2.5,354 1,355 3.247,356 1.99,357 1,358 1.411,360 2.136,361 0.989,362 1.454,363 0.875,364 2.602,365 1.128,366 0.117,367 0.14,369 0.253,370 0.117,371 0.853,372 -0.147,373 2.366,374 0.467,375 -0.555,376 -0.727,378 -1.351,379 -0.561,380 0.5,381 -0.422,382 1.906,383 0.016,384 -1,385 -1.24,386 -2.283,387 -0.949,388 0.45,389 -0.902,390 1.555,392 -1,393 -1.386,394 -2.347,395 -1,396 0.333,397 -1,398 1.324,399 -0.05,400 -1,401 -1.5,402 -2.806,403 -1.009,404 -0.234,405 -1.217,406 1.117,407 -0.567,408 -1.553,409 -1.962,411 -3.9,412 -1.542,413 -0.5,414 -1.808,415 1,416 -0.867,417 -1.866,418 -2.398,420 -4.789,421 -1.862,422 -0.679,423 -1.873,424 0.677,425 -1,426 -2,427 -2.677,428 -0.6,429 -5.965,430 -1.939,431 -0.778,432 -2,433 0.198,434 -1.035,435 -2,436 -3,437 -0.98,438 -6.627,439 -2,440 6.533,441 0.467,442 0.315,443 0.023,444 19,445 1.357,446 10.5,447 0.75,448 8.5,449 0.607,450 7.202,451 0.514,452 14.467,453 0.629,454 11.692,455 0.835,456 4.14,457 0.296,458 2.631,459 0.188,460 0.112,462 0.306,466 0.754,467 0.861,468 0.748,469 0.776,470 0.734,471 0.748,472 0.51,473 1.091,474 0.779,475 1.077,476 0.541,477 1.001,478 0.866,479 0.989,480 0.983,481 1.028,482 0.94,483 1.037,484 0.809,485 1.171,486 1.02,487 1.17,488 0.735,489 1.131,490 0.815,491 1.153,492 0.928,493 1.114,494 0.729,495 1.049,496 1.893,497 0.992,498 1.379,499 0.986,500 1.959,501 1.075,502 1.662,503 0.666,504 1.246,505 0.758,506 1.658,507 0.896,508 1.487,509 0.256,510 1.047,511 0.373,512 1.56,513 0.598,514 2.5,516 1.556,517 0.875,518 0.684,519 0.278,520 0.14,521 0.028,524 1239,525 4009,526 2.034,527 39.1,529 6,532 3,536 1.512,537 1.909,538 2.594,539 1.383,545 37.538,546 1.632,547 3.138,548 3.638,549 3.969,550 4.089,551 4.089,552 1.924,553 2.807,554 3.784,555 2.616,556 238.096,557 6.321,558 1851.92,560 1,563 104.042,564 1.379,565 3.74,566 0.167,568 0.078,569 0.046,570 0.046,571 0.021,572 0.02,573 0.014,576 0.391,577 0.67,578 1,579 0.673,580 52.044,581 -0.055,582 0.298,583 -0.01,584 0.175,585 -0.154,586 0.111,587 0.191,588 -0.022,590 -0.094,591 0.084,592 -0.092,593 0.04,594 -0.001,595 -0.092,596 -0.058,597 -0.029,598 -0.1,599 -0.074,600 -0.206,601 -0.104,602 -0.208,603 -0.045,604 -0.164,605 0.108,606 -0.233,607 0.073,608 -0.169,609 0.201,610 -0.071,611 -0.407,612 -0.13,613 -0.269,614 -0.082,615 -0.329,616 -0.138,617 -0.287,618 0.099,619 -0.013,620 0.177,621 -0.204,622 0.148,623 -0.185,624 0.368,625 0.331,626 0.631,627 -0.157,628 0.586,629 1.918,630 4.042,631 0.857,632 6.408,633 1.012,634 1.128,635 1.936,636 3.748,637 0.685,638 2.773,639 3.045,640 3.258,641 3.466,642 3.664,643 3.401,644 3.332,645 3.219,646 2.944,647 2.565,648 3.603,649 0.668,650 187.22,651 2.773,652 4.263,653 5.081,654 5.932,655 6.774,656 7.629,657 8.479,658 9.334,659 10.187,660 11.042,661 13,662 1,668 1,670 1,675 5,680 1,682 6,699 23,700 9,701 1,702 15,704 24,705 10,706 6,707 1,708 5,709 4,710 2,711 2,721 10,724 3,728 1,729 1,730 1,731 3,733 1,736 9,737 4,738 3,739 4,743 3,745 1,747 1,748 1,760 2,770 1,771 1,772 1,777 2,785 14,786 1,790 1,801 4.3,804 1,808 7.333,809 3.95,810 3.139,811 1.19,812 1.861,813 1.334,814 0.996,815 2.228,816 7.437,817 3.091,818 3.624,819 4.139,820 4.631,821 5.144,822 5.077,823 5.314,824 5.489,825 5.515,826 5.247,827 0.75,828 19,829 5.102,830 0.002,831 2.12,832 8.012,833 9.429,834 0.001,835 7.373,836 -0.001,837 2.512,838 35.167,839 0.003,842 70.627,843 70.261,844 67.448,846 25.145,849 70.261,850 95.772,851 67.448,853 50.785,854 56.857,855 32.177,856 23.034,858 70.627,860 70.627,861 137.71,862 25.145,865 70.627,866 25.145,869 67.448,870 60.785,871 9.476,873 70.627,874 92.593,875 70.261,878 70.627,879 13.404,880 56.857,881 17.888,882 74.705,883 70.627,884 92.593,885 70.261,887 0.571,888 0.328,889 0.179,890 0.105,891 10,892 4,893 0.042,894 1,896 1,897 2.624,898 86.772,900 12,901 49.303,904 8.815,905 3.539,906 1.791,908 92.593,909 9.436,914 0.892,916 50.785,917 233.481,918 21,922 11.042,923 1.442,924 3.695,925 0.739,926 23.284,927 25.95,928 0.361,929 0.694,930 0.804,931 0.877,932 0.904,933 0.904,934 4.284,935 -0.555,936 5.043,937 0.253,938 3.714,939 4.304,940 1.292,941 5.802,942 3.693,943 5.482,944 -1,945 6.569,946 -1.351,947 3.219,948 3.922,950 6.629,951 3.192,952 6.772,953 -1,954 8.202,955 -2.283,956 5.242,957 6.402,958 1.132,959 9.726,960 5.201,961 8.098,962 -1,963 9.898,964 -2.347,965 5.565,966 6.811,968 11.427,969 5.515,970 9.454,971 -1.553,972 11.637,973 -2.806,974 7.069,975 8.761,976 1.052,977 14.035,978 7.006,979 10.832,980 -1.866,981 13.407,982 -3.9,983 7.793,984 9.58,986 16.092,987 7.72,988 12.23,989 -2,990 15.199,991 -4.789,992 9.068,993 11.266,994 1.005,995 18.518,996 8.982,997 3.017,998 -2,999 17.007,1000 -5.965,1001 9.992,1002 12.317,1004 20.723,1005 9.893,1006 2.314,1007 10.018,1008 18.829,1009 -6.627,1010 11.166,1011 13.858,1012 0.972,1013 23.077,1014 11.054,1015 2,1016 6.26,1017 20.66,1018 3.914,1019 12.186,1020 15.042,1022 25.341,1023 12.061,1024 1.526,1025 5.415,1026 22.5,1027 3.157,1028 13.317,1029 16.505,1030 0.944,1031 27.666,1032 13.18,1033 1,1034 3.508,1035 24.345,1036 2.594,1037 14.382,1038 17.765,1040 29.954,1041 14.232,1042 1,1043 2.477,1044 26.195,1045 2.174,1046 15.496,1047 19.184,1048 0.918,1049 32.267,1050 15.333,1051 0.117,1052 2.136,1053 28.048,1054 1.5,1055 16.582,1056 20.488,1058 34.565,1059 16.406,1060 1288,1061 2390,1062 9.94,1063 15.756,1064 22.509,1065 23.112,1066 22.512,1067 21.968,1068 21.947,1069 29.779,1070 3.16,1071 60.134,1072 21.725,1073 5.169,1074 5.501,1075 6.269,1076 5.041,1077 5.017,1078 6.914,1079 1.96,1080 16.645,1081 4.982,1082 5.672,1083 1.501,1084 1.541,1085 1.501,1086 1.465,1087 1.463,1088 1.985,1089 0.211,1090 4.009,1091 1.448,1092 3.967,1093 3.998,1094 3.919,1095 3.898,1096 7.43,1097 3.897,1098 3.692,1099 3.741,1100 3.632,1101 3.527,1102 5.149,1103 3.547,1104 3.115,1105 3.19,1106 3.039,1107 2.809,1108 4.744,1109 2.858,1110 2.934,1111 3.001,1112 2.836,1113 2.735,1114 4.369,1115 2.754,1116 2.854,1117 2.925,1118 2.687,1119 2.735,1120 3.87,1121 2.715,1122 2.55,1123 2.664,1124 2.371,1125 2.278,1126 3.674,1127 2.294,1128 2.355,1129 2.437,1130 2.157,1131 1.887,1132 3.37,1133 1.935,1134 1.722,1135 1.841,1136 1.439,1137 1.217,1138 3.012,1139 1.247,1140 0.293,1141 0.233,1142 0.431,1143 0.267,1144 0.201,1145 4.391,1146 0.261,1147 3.501,1148 0.065,1149 6.467,1150 0.668,1151 4.006,1152 0.199,1153 3.017,1154 3.914,1155 0.98,1156 10.018,1157 2.982,1158 1.94,1159 1.915,1160 2.043,1161 2.034,1162 1.127,1163 2.034,1164 1.62,1165 1.58,1166 1.727,1167 1.824,1168 0.724,1169 1.802,1170 0.97,1171 0.907,1172 1.231,1173 1.351,1174 0.218,1175 1.319,1176 0.886,1177 0.821,1178 1.181,1179 1.11,1180 0.122,1181 1.112,1182 0.883,1183 0.814,1184 1.092,1185 1.062,1187 1.107,1188 0.501,1189 0.396,1190 0.851,1191 0.833,1193 0.847,1194 0.209,1195 0.09,1196 0.474,1197 0.623,1199 0.584,1202 0.381,1203 0.133,1205 0.23,1206 3.434,1208 4.71,1210 6.201,1212 7.786,1214 9.418,1220 5.64,1223 2.279,1231 15.359,1232 37.538,1233 72.168,1234 83.677,1235 91.287,1236 94.042,1237 94.042,1238 17.067,1239 5.576,1240 71.77,1241 71.77,1242 12,1243 11.596,1244 3.322,1245 2.807,1246 21.198,1247 29,1248 26,1249 0.372,1250 98.722,1251 171.89,1252 232.641,1253 1393,1255 9.966,1256 0.712,1257 0.528,1258 9.966,1259 7.397,1260 6.771,1261 0.451,1262 0.279,1263 4.124,1264 6.532,1265 4.048,1266 3.386,1267 6.771,1268 4.178,1269 5.957,1270 0.298,1271 0.145,1272 5.957,1273 2.897,1274 4.776,1275 0.191,1276 0.077,1277 4.776,1278 1.923,1279 3.796,1280 0.122,1281 0.041,1282 3.796,1283 1.262,1284 3.252,1285 0.086,1286 0.021,1287 3.252,1288 0.814,1289 0.542,1290 42.399,1291 0.317,1292 13.956,1293 1.142,1294 70,1295 223.026,1296 76.738,1297 220.625,1298 297.01,1299 204,1300 80,1301 217.933,1302 86.324,1303 221.583,1304 317.25,1305 208,1306 5} {0 CHEMBL2348734,1 1.671,2 7.059,3 0.514,4 0.264,5 62.802,6 8.188,7 0.333,8 3.444,9 3.562,10 3.075,11 2.981,12 4.706,13 2.986,14 3.887,15 4.036,16 3.393,17 3.301,18 5.201,19 3.288,20 4.094,21 4.27,22 3.382,23 3.363,24 5.403,25 3.34,26 4.015,27 4.21,28 3.303,29 3.263,30 5.296,31 3.231,32 4.001,33 4.196,34 3.245,35 3.167,36 5.347,37 3.147,38 3.92,39 4.144,40 2.977,41 2.983,42 5.171,43 2.95,44 3.642,45 3.873,46 2.693,47 2.702,48 5.119,49 2.644,50 3.336,51 3.541,52 2.124,53 2.386,54 4.656,55 2.29,56 0.078,57 0.428,58 4.671,59 2.251,60 5.912,61 2.694,62 0.191,63 0.627,64 8.307,65 3.626,66 15.563,67 4.648,68 0.327,69 0.707,70 11.794,71 4.167,72 44.889,73 5.078,74 0.215,75 0.648,76 11.054,77 4.086,78 25.638,79 5.417,80 0.307,81 0.625,82 11.222,83 3.614,84 34.49,85 4.705,86 0.285,87 0.548,88 11.241,89 3.159,90 38.748,91 4.082,92 0.258,93 0.39,94 8.735,95 2.713,96 44.5,97 3.676,98 0.183,99 0.26,100 6.405,101 2.135,102 29.952,103 2.511,104 12,105 24,106 0.323,107 0.682,108 0.77,109 0.823,110 0.842,111 0.842,112 2.908,113 0.849,114 -3.28,115 -3.26,116 -3.13,119 42.9,120 1,130 1,131 1,133 5,134 1,147 3,157 1,159 8,162 3,164 3,166 3,168 9,171 1,172 3,175 1,176 3,178 7,181 1,182 5,187 3,190 4,194 5,197 2,199 5,202 2,206 4,211 3,213 1,216 1,217 4,222 1,224 2,229 2,237 2,242 1,250 1,255 321,256 11.276,257 11.276,258 11.276,259 11.276,260 11.276,261 9.797,262 9.132,263 6.861,264 11.35,265 8.905,266 8.905,267 8.905,268 8.905,269 8.905,270 6.671,271 9.728,272 3.287,273 8.99,274 3.137,275 1.281,276 0.826,277 0.554,278 0.456,279 0.456,280 3.56,284 1,285 246,286 2.449,289 106.42,295 1.017,296 18.574,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 37.5,307 120,308 4.393,309 3.611,310 6.471,311 4.027,312 3.028,313 3.909,314 1.909,315 10.045,316 3.022,317 3.846,318 3.524,319 5.408,320 3.452,321 2.485,322 3.23,323 0.98,324 7.135,325 2.398,326 3.566,327 2.75,328 5.055,329 3.164,330 2.152,331 2.836,332 0.635,333 5.799,334 2.166,335 3.294,336 2.555,337 4.403,338 2.826,339 1.813,340 2.423,342 4.479,343 1.817,344 2.985,345 1.666,346 4.025,347 2.525,348 1.526,349 2.103,351 3.508,352 1.52,353 2.528,354 1.1,355 3.48,356 2,357 1,358 1.5,360 2.478,361 1,362 2.5,363 1,364 3.247,365 1.99,366 1,367 1.404,369 2.136,370 0.989,371 1.575,372 0.98,373 2.718,374 1.223,375 0.192,376 0.241,378 0.446,379 0.195,380 0.918,381 0.576,382 2.541,383 0.593,384 -0.408,385 -0.469,386 -1.052,387 -0.407,388 0.791,389 0.038,390 2.129,391 0.253,392 -0.745,393 -1.043,394 -1.784,395 -0.731,396 0.5,397 -0.395,398 1.729,399 0.093,400 -1,401 -1.264,402 -2,403 -0.972,404 0.402,405 -0.856,406 1.555,408 -1,409 -1.409,411 -2.347,412 -1,413 0.336,414 -0.876,415 1.276,416 -0.031,417 -1,418 -1.5,420 -2.805,421 -1.094,423 -1,424 1.075,425 -0.319,426 -1.346,427 -1.79,429 -3.43,430 -1.375,431 -0.5,432 -1.39,433 1,434 -0.809,435 -1.784,436 -2.14,437 -0.348,438 -4.789,439 -1.715,440 7.867,441 0.463,442 0.421,443 0.025,444 22.5,445 1.324,446 12,447 0.706,448 10.5,449 0.618,450 9.893,451 0.582,452 17.933,453 0.64,454 15.294,455 0.9,456 4.896,457 0.288,458 3.268,459 0.192,460 0.148,462 0.318,466 0.644,467 1.073,468 0.711,469 0.947,470 0.554,471 0.852,472 0.489,473 1.137,474 0.733,475 1.068,476 0.54,477 0.98,478 1.182,479 0.925,480 1.095,481 0.924,482 1.202,483 0.978,484 0.793,485 1.175,486 0.856,487 1.102,488 0.735,489 1.012,490 1.078,491 1.14,492 1.036,493 1.042,494 1.095,495 1.03,496 1.459,497 0.976,498 1.212,499 0.919,500 1.326,501 0.974,502 0.939,503 0.89,504 1.001,505 0.981,506 0.798,507 0.987,508 1.771,509 0.833,510 1.518,511 1.108,512 2.028,513 1.259,514 3.5,516 1.556,517 1.125,518 0.804,519 0.451,520 0.384,521 0.106,522 0.054,523 0.031,524 2142,525 7279,526 1.994,527 39.3,529 6,532 2,533 3,536 1.573,537 1.855,538 2.872,539 0.468,541 1,543 1,545 46.778,546 1.671,547 3.526,548 3.982,549 4.253,550 4.352,551 4.352,552 2.257,553 3.617,554 4.058,555 2.953,556 401.674,557 6.878,558 3617.81,560 1,563 134.606,564 1.447,565 4.01,566 0.194,568 0.065,569 0.049,570 0.038,571 0.024,572 0.027,573 0.011,574 0.011,575 0.016,576 0.435,577 0.67,578 1,579 1.163,580 69.779,581 -0.021,582 0.097,583 0.013,584 0.043,585 -0.068,586 0.037,587 0.223,588 -0.054,589 0.08,590 -0.081,591 0.084,592 -0.053,593 -0.15,594 0.096,595 -0.181,596 0.026,597 -0.166,598 -0.067,599 0.04,600 -0.198,601 0.073,602 -0.126,603 0.063,604 -0.039,605 -0.016,606 -0.148,607 -0.07,608 -0.118,609 -0.058,610 -0.111,611 -0.31,612 -0.015,613 -0.181,614 -0.019,615 -0.202,616 -0.048,617 0.147,618 -0.002,619 0.058,620 -0.028,621 0.339,622 0.007,623 -0.394,624 -0.019,625 -0.455,626 -0.12,627 -0.385,628 -0.274,629 1.953,630 4.627,631 0.706,632 10.803,633 1.018,634 1.128,635 2.047,636 4.191,637 0.678,638 2.944,639 3.219,640 3.401,641 3.638,642 3.829,643 3.738,644 3.807,645 3.664,646 3.434,647 3.219,648 4.379,649 0.664,650 229.26,651 2.944,652 4.443,653 5.252,654 6.107,655 6.942,656 7.803,657 8.65,658 9.513,659 10.365,660 11.228,661 10.7,668 2,670 1,675 5,680 1,682 6,699 28,700 10,701 1,702 18,704 29,705 12,706 6,707 1,708 5,709 4,710 2,711 2,715 1,721 11,722 1,724 4,728 2,729 1,730 1,731 4,733 1,736 11,737 5,738 2,739 5,743 3,745 1,747 1,748 2,760 2,766 1,770 1,771 1,777 2,781 1,785 17,790 2,801 7.1,804 2,808 9.167,809 5.283,810 3.806,811 1.524,812 1.929,813 1.325,814 0.964,815 3.237,816 7.864,817 3.258,818 3.773,819 4.23,820 4.742,821 5.239,822 5.277,823 5.615,824 5.765,825 5.846,826 5.883,827 0.8,828 23,829 6.227,831 2.582,832 8.108,833 11.421,835 8.806,837 2.608,838 44.333,839 0.001,842 105.94,843 83.791,844 52.562,846 50.29,849 83.791,850 156.23,851 52.562,852 8.825,853 35.899,854 56.857,855 62.027,856 23.034,858 105.94,860 105.94,861 136.353,862 50.29,865 105.94,866 50.29,869 61.387,870 65.49,871 9.476,873 105.94,874 102.852,875 83.791,878 105.94,879 18.108,880 65.683,881 35.899,882 66.953,883 105.94,884 102.852,885 83.791,887 0.569,888 0.309,889 0.173,890 0.099,891 11,892 5,893 0.069,894 2,896 1,897 2.91,898 113.046,900 12,901 65.487,904 11.396,905 4.829,906 2.724,908 102.852,909 9.193,914 0.78,916 35.899,917 292.583,918 25,922 22.53,923 1.551,924 3.735,925 0.286,926 28.494,927 31.575,928 0.348,929 0.733,930 0.828,931 0.885,932 0.905,933 0.905,934 4.46,935 0.192,936 5.22,937 2.136,938 3.892,939 4.454,940 2.271,941 5.974,942 3.875,943 5.657,944 -0.408,945 6.742,946 0.446,947 3.434,948 4.135,949 1.593,950 6.783,951 3.428,952 6.946,953 -0.745,954 8.366,955 -1.052,956 5.416,957 6.521,958 3.024,959 9.866,960 5.376,961 8.267,962 -1,963 10.051,964 -1.784,965 5.74,966 6.955,967 3.032,968 11.534,969 5.717,970 9.615,971 -1,972 11.779,973 -2,974 7.226,975 8.849,976 4.08,977 14.133,978 7.173,979 10.985,980 -1,981 13.536,982 -2.347,983 7.938,984 9.671,985 4.415,986 16.168,987 7.901,988 12.372,989 -1.346,990 15.316,991 -2.805,992 9.204,993 11.327,994 5.27,995 18.588,996 9.147,997 3.028,998 -1.784,999 17.113,1000 -3.43,1001 10.114,1002 12.371,1003 5.76,1004 20.78,1005 10.07,1006 2.485,1007 10.045,1008 18.924,1009 -4.789,1010 11.282,1011 13.898,1012 6.517,1013 23.13,1014 11.227,1015 2.152,1016 7.135,1017 20.745,1018 3.909,1019 12.292,1020 15.073,1021 7.081,1022 25.389,1023 12.245,1024 1.813,1025 5.799,1026 22.576,1027 3.23,1028 13.418,1029 16.527,1030 7.787,1031 27.712,1032 13.366,1033 1.526,1034 4.479,1035 24.413,1036 2.836,1037 14.477,1038 17.779,1039 8.39,1040 29.999,1041 14.429,1042 1,1043 3.508,1044 26.256,1045 2.423,1046 15.587,1047 19.192,1048 9.069,1049 32.312,1050 15.538,1051 1,1052 2.478,1053 28.103,1054 2.103,1055 16.669,1056 20.489,1057 9.692,1058 34.61,1059 16.622,1060 2225,1061 4187,1062 11.731,1063 18.972,1064 27.153,1065 27.944,1066 26.947,1067 26.414,1068 26.391,1069 35.294,1070 7.049,1071 72.05,1072 26.217,1073 5.232,1074 5.611,1075 6.273,1076 5.064,1077 5.028,1078 6.909,1079 3.312,1080 16.675,1081 5.022,1082 8.346,1083 1.508,1084 1.552,1085 1.497,1086 1.467,1087 1.466,1088 1.961,1089 0.392,1090 4.003,1091 1.456,1092 3.973,1093 4.002,1094 3.927,1095 3.899,1096 7.432,1097 3.899,1098 3.724,1099 3.774,1100 3.663,1101 3.551,1102 7.427,1103 3.573,1104 3.502,1105 3.543,1106 3.418,1107 3.276,1108 4.824,1109 3.299,1110 2.984,1111 3.042,1112 2.908,1113 2.774,1114 4.679,1115 2.79,1116 2.915,1117 2.984,1118 2.82,1119 2.735,1120 3.886,1121 2.715,1122 2.854,1123 2.925,1124 2.687,1125 2.65,1126 3.868,1127 2.696,1128 2.547,1129 2.636,1130 2.361,1131 2.308,1132 3.674,1133 2.313,1134 2.487,1135 2.552,1136 2.266,1137 2.084,1138 3.534,1139 2.128,1140 0.244,1141 0.201,1142 0.36,1143 0.224,1144 0.168,1145 4.393,1146 0.217,1147 3.611,1148 0.106,1149 6.471,1150 0.558,1151 4.027,1152 0.168,1153 3.028,1154 3.909,1155 1.909,1156 10.045,1157 3.022,1158 1.94,1159 1.917,1160 2.042,1161 2.038,1162 1.127,1163 2.035,1164 1.648,1165 1.605,1166 1.777,1167 1.858,1168 0.782,1169 1.838,1170 1.422,1171 1.375,1172 1.651,1173 1.672,1174 0.681,1175 1.661,1176 0.911,1177 0.848,1178 1.181,1179 1.188,1180 0.218,1181 1.17,1182 0.886,1183 0.821,1184 1.124,1185 1.104,1186 0.167,1187 1.107,1188 0.809,1189 0.758,1190 1.032,1191 1.062,1193 1.102,1194 0.527,1195 0.431,1196 0.878,1197 0.815,1199 0.841,1200 0.317,1201 0.251,1202 0.491,1203 0.732,1205 0.664,1206 3.611,1208 4.89,1210 6.368,1212 7.939,1214 9.56,1216 1.384,1223 4.874,1231 18.601,1232 46.778,1233 98.732,1234 111.487,1235 119.096,1236 121.851,1237 121.851,1238 27.288,1239 5.935,1240 74.85,1241 74.85,1242 12,1243 11.778,1244 3.459,1245 3,1246 28.291,1247 43,1248 41,1249 0.33,1250 118.975,1251 212.64,1252 282.06,1253 2240,1255 12.251,1256 0.721,1257 0.543,1258 12.251,1259 9.228,1260 8.165,1261 0.454,1262 0.283,1263 5.018,1264 7.82,1265 4.883,1266 4.095,1267 8.165,1268 5.093,1269 7.348,1270 0.306,1271 0.148,1272 7.348,1273 3.543,1274 5.427,1275 0.187,1276 0.076,1277 5.427,1278 2.192,1279 4.548,1280 0.123,1281 0.04,1282 4.548,1283 1.482,1284 3.658,1285 0.081,1286 0.021,1287 3.658,1288 0.938,1289 0.495,1290 51.459,1291 0.292,1292 16.985,1293 0.964,1294 84,1295 295.782,1296 93.979,1297 285.679,1298 378.49,1299 264,1300 95,1301 270.978,1302 103.817,1303 273.158,1304 390.56,1305 256,1306 5} {0 CHEMBL2348735,1 1.632,2 5.643,3 0.493,4 0.243,5 53.358,6 8.14,7 0.4,8 3.261,9 3.39,10 2.89,11 2.816,12 4.537,13 2.818,14 3.667,15 3.807,16 3.196,17 3.15,18 4.961,19 3.129,20 3.877,21 4.062,22 3.19,23 3.204,24 5.159,25 3.161,26 3.801,27 4.008,28 2.986,29 3.042,30 5.007,31 2.986,32 3.718,33 3.933,34 2.888,35 2.862,36 5.088,37 2.817,38 3.544,39 3.784,40 2.412,41 2.523,42 4.815,43 2.454,44 3.086,45 3.411,46 1.502,47 1.933,48 4.046,49 1.752,50 2.252,51 2.626,52 0.336,53 1.086,54 2.833,55 0.821,56 0.069,57 0.364,58 3.979,59 1.755,60 7.899,61 2.133,62 0.112,63 0.523,64 6.315,65 2.924,66 11.634,67 3.717,68 0.184,69 0.591,70 9.155,71 3.569,72 25.191,73 4.615,74 0.13,75 0.519,76 9.063,77 3.335,78 19.431,79 4.399,80 0.179,81 0.46,82 8.796,83 2.932,84 30.923,85 3.928,86 0.194,87 0.371,88 7.911,89 2.082,90 31.231,91 2.703,92 0.118,93 0.218,94 5.769,95 1.423,96 17.804,97 2.212,98 0.047,99 0.078,100 2.725,101 0.691,102 7.289,103 1.159,104 5,105 20,106 0.333,107 0.639,108 0.741,109 0.809,110 0.833,111 0.833,112 2.734,113 0.836,114 -3.17,115 -3.16,116 -3.04,119 43.5,130 1,131 1,133 5,134 1,147 2,152 1,153 1,154 1,157 1,159 8,162 2,163 1,164 2,166 2,168 9,170 1,171 1,172 3,175 1,176 3,177 1,178 7,180 1,182 3,187 3,190 3,192 1,194 4,196 1,197 1,199 4,202 1,204 2,206 3,211 3,215 2,217 1,222 1,226 1,255 180,256 9.414,257 9.414,258 9.414,259 9.414,260 9.414,261 8.09,262 7.214,263 5.708,264 9.495,265 7.405,266 7.405,267 7.405,268 7.405,269 7.405,270 5.45,271 8.282,272 2.724,273 7.498,274 2.891,275 1.386,276 0.885,277 0.555,278 0.435,279 0.435,280 3.378,284 1,285 164,286 1.414,289 81.629,295 0.837,296 12.974,299 1,300 0.83,301 0.83,302 0.6,304 1,305 0.75,306 30.5,307 79,308 4.384,309 3.595,310 6.467,311 4.018,312 3.017,313 3.902,314 0.98,315 10.018,316 3.017,317 3.748,318 2.739,319 5.161,320 3.287,321 2.314,322 3.171,323 0.6,324 6.26,325 2.256,326 3.438,327 2.551,328 4.877,329 2.987,330 2,331 2.65,333 5.415,334 1.955,335 2.985,336 1.665,337 4.025,338 2.525,339 1.526,340 2.103,342 3.508,343 1.52,344 2.528,345 1.07,346 3.479,347 2,348 1,349 1.5,351 2.477,352 1,353 2.5,354 1,355 3.247,356 1.99,357 1,358 1.404,360 2.136,361 0.989,362 1.499,363 0.906,364 2.602,365 1.157,366 0.117,367 0.148,369 0.253,370 0.12,371 0.827,372 -0.22,373 2.366,374 0.427,375 -0.555,376 -0.669,378 -1.351,379 -0.544,380 0.5,381 -0.461,382 1.906,383 0.018,384 -1,385 -1.264,386 -2.283,387 -0.946,388 0.451,389 -0.871,390 1.555,392 -1,393 -1.394,394 -2.347,395 -1,396 0.322,397 -1,398 1.324,399 -0.047,400 -1,401 -1.5,402 -2.806,403 -1.008,404 -0.263,405 -1.184,406 1.117,407 -0.557,408 -1.553,409 -2.104,411 -3.9,412 -1.559,413 -0.5,414 -1.823,415 1,416 -0.87,417 -1.866,418 -2.234,420 -4.789,421 -1.862,422 -0.584,423 -1.866,424 0.677,425 -1,426 -2,427 -2.715,428 -0.6,429 -5.965,430 -1.938,431 -0.837,432 -2,433 0.198,434 -1.035,435 -2,436 -3,437 -0.98,438 -6.627,439 -2,440 6.533,441 0.467,442 0.315,443 0.023,444 19,445 1.357,446 10.5,447 0.75,448 8.5,449 0.607,450 7.186,451 0.513,452 14.467,453 0.629,454 11.709,455 0.836,456 4.14,457 0.296,458 2.631,459 0.188,460 0.112,462 0.306,466 0.754,467 0.861,468 0.748,469 0.776,470 0.734,471 0.748,472 0.51,473 1.091,474 0.779,475 1.077,476 0.554,477 1.001,478 0.844,479 0.963,480 0.969,481 1.055,482 0.913,483 1.043,484 1.026,485 1.096,486 1.002,487 1.132,488 1.012,489 1.076,490 1.122,491 1.159,492 0.972,493 1.097,494 1.115,495 1.035,496 1.878,497 1.1,498 1.46,499 1.019,500 1.905,501 1.139,502 1.138,503 0.789,504 1.223,505 0.8,506 0.989,507 0.966,508 0.591,509 0.398,510 0.918,511 0.573,512 0.464,513 0.74,514 2.5,516 1.556,517 0.875,518 0.684,519 0.278,520 0.14,521 0.028,524 1239,525 3969,526 2.034,527 39.1,529 6,532 3,536 1.512,537 1.909,538 2.594,539 1.383,545 37.538,546 1.632,547 3.138,548 3.638,549 3.969,550 4.089,551 4.089,552 1.924,553 2.807,554 3.784,555 2.616,556 238.096,557 6.321,558 1851.92,560 1,563 104.042,564 1.379,565 3.74,566 0.167,568 0.078,569 0.046,570 0.046,571 0.021,572 0.02,573 0.014,576 0.391,577 0.67,578 1,579 0.673,580 52.044,581 -0.055,582 0.298,583 -0.01,584 0.175,585 -0.154,586 0.111,587 0.191,588 -0.022,590 -0.094,591 0.071,592 -0.092,593 0.063,594 0.027,595 -0.078,596 -0.086,597 -0.001,598 -0.106,599 -0.099,600 -0.17,601 -0.054,602 -0.155,603 -0.05,604 -0.102,605 0.031,606 -0.263,607 0.038,608 -0.144,609 0.136,610 -0.074,611 -0.459,612 -0.192,613 -0.388,614 -0.138,615 -0.384,616 -0.233,617 -0.197,618 0.044,619 -0.042,620 0.114,621 -0.138,622 0.083,623 0.07,624 0.307,625 0.381,626 0.416,627 0.076,628 0.468,629 1.898,630 4.398,631 0.857,632 6.408,633 1.012,634 1.128,635 1.936,636 3.748,637 0.685,638 2.773,639 3.045,640 3.258,641 3.466,642 3.664,643 3.401,644 3.332,645 3.219,646 2.944,647 2.565,648 3.603,649 0.668,650 187.22,651 2.773,652 4.263,653 5.081,654 5.932,655 6.774,656 7.629,657 8.479,658 9.334,659 10.187,660 11.042,661 13,662 1,668 1,670 1,675 5,680 1,682 6,699 23,700 9,701 1,702 15,704 24,705 10,706 6,707 1,708 5,709 4,710 2,711 2,721 10,724 3,728 1,729 1,730 1,731 3,733 1,736 9,737 4,738 3,739 4,743 3,745 1,747 1,748 1,760 2,770 1,771 1,772 1,777 2,785 14,786 1,790 1,801 4.3,804 1,808 7.333,809 3.95,810 3.139,811 1.19,812 1.931,813 1.346,814 0.996,815 2.228,816 7.507,817 3.091,818 3.624,819 4.139,820 4.621,821 5.138,822 5.074,823 5.315,824 5.515,825 5.553,826 5.426,827 0.75,828 19,829 5.107,830 0.002,831 2.127,832 8.012,833 9.429,834 0.001,835 7.373,836 -0.001,837 2.512,838 35.167,839 0.003,842 70.627,843 70.261,844 67.448,846 25.145,849 70.261,850 95.772,851 67.448,853 50.785,854 56.857,855 32.177,856 23.034,858 70.627,860 70.627,861 137.71,862 25.145,865 70.627,866 25.145,869 67.448,870 60.785,871 9.476,873 70.627,874 92.593,875 70.261,878 70.627,879 13.404,880 56.857,881 17.888,882 74.705,883 70.627,884 92.593,885 70.261,887 0.571,888 0.328,889 0.179,890 0.105,891 10,892 4,893 0.042,894 1,896 1,897 2.624,898 86.772,900 12,901 49.303,904 8.815,905 3.539,906 1.791,908 92.593,909 9.326,914 0.836,916 50.785,917 233.481,918 21,922 11.398,923 1.564,924 3.605,925 0.618,926 23.284,927 25.95,928 0.361,929 0.694,930 0.804,931 0.877,932 0.904,933 0.904,934 4.284,935 -0.555,936 5.043,937 0.253,938 3.714,939 4.304,940 1.292,941 5.802,942 3.693,943 5.482,944 -1,945 6.569,946 -1.351,947 3.219,948 3.922,950 6.629,951 3.192,952 6.772,953 -1,954 8.202,955 -2.283,956 5.242,957 6.402,958 1.132,959 9.726,960 5.207,961 8.098,962 -1,963 9.898,964 -2.347,965 5.565,966 6.811,968 11.427,969 5.538,970 9.454,971 -1.553,972 11.637,973 -2.806,974 7.069,975 8.758,976 1.052,977 14.035,978 7.032,979 10.832,980 -1.866,981 13.407,982 -3.9,983 7.793,984 9.573,986 16.092,987 7.77,988 12.229,989 -2,990 15.199,991 -4.789,992 9.068,993 11.257,994 1.005,995 18.518,996 9.038,997 3.017,998 -2,999 17.007,1000 -5.965,1001 9.992,1002 12.3,1004 20.723,1005 9.974,1006 2.314,1007 10.018,1008 18.829,1009 -6.627,1010 11.166,1011 13.841,1012 0.972,1013 23.077,1014 11.143,1015 2,1016 6.26,1017 20.66,1018 3.902,1019 12.186,1020 15.017,1022 25.341,1023 12.172,1024 1.526,1025 5.415,1026 22.5,1027 3.171,1028 13.317,1029 16.479,1030 0.944,1031 27.666,1032 13.301,1033 1,1034 3.508,1035 24.345,1036 2.65,1037 14.382,1038 17.731,1040 29.954,1041 14.371,1042 1,1043 2.477,1044 26.195,1045 2.103,1046 15.496,1047 19.149,1048 0.918,1049 32.267,1050 15.485,1051 0.117,1052 2.136,1053 28.048,1054 1.5,1055 16.582,1056 20.447,1058 34.565,1059 16.573,1060 1288,1061 2378,1062 9.94,1063 15.756,1064 22.568,1065 23.222,1066 22.512,1067 22.022,1068 21.947,1069 29.759,1070 3.16,1071 60.134,1072 21.715,1073 5.221,1074 5.595,1075 6.269,1076 5.054,1077 5.017,1078 6.902,1079 1.96,1080 16.645,1081 5.017,1082 5.672,1083 1.505,1084 1.548,1085 1.501,1086 1.468,1087 1.463,1088 1.984,1089 0.211,1090 4.009,1091 1.448,1092 3.968,1093 3.997,1094 3.92,1095 3.897,1096 7.429,1097 3.897,1098 3.693,1099 3.745,1100 3.632,1101 3.528,1102 5.151,1103 3.548,1104 3.119,1105 3.189,1106 3.044,1107 2.85,1108 4.752,1109 2.884,1110 2.915,1111 2.986,1112 2.82,1113 2.735,1114 4.367,1115 2.715,1116 2.854,1117 2.925,1118 2.687,1119 2.662,1120 3.869,1121 2.704,1122 2.537,1123 2.634,1124 2.362,1125 2.313,1126 3.674,1127 2.318,1128 2.415,1129 2.512,1130 2.202,1131 1.904,1132 3.358,1133 1.956,1134 1.661,1135 1.802,1136 1.396,1137 1.217,1138 2.996,1139 1.206,1140 0.292,1141 0.24,1142 0.431,1143 0.268,1144 0.201,1145 4.384,1146 0.26,1147 3.595,1148 0.065,1149 6.467,1150 0.668,1151 4.018,1152 0.201,1153 3.017,1154 3.902,1155 0.98,1156 10.018,1157 3.017,1158 1.939,1159 1.916,1160 2.042,1161 2.034,1162 1.125,1163 2.033,1164 1.623,1165 1.581,1166 1.732,1167 1.827,1168 0.726,1169 1.806,1170 0.997,1171 0.93,1172 1.227,1173 1.342,1174 0.218,1175 1.309,1176 0.886,1177 0.821,1178 1.181,1179 1.105,1180 0.135,1181 1.107,1182 0.821,1183 0.765,1184 1.052,1185 1.062,1187 1.103,1188 0.532,1189 0.43,1190 0.899,1191 0.806,1193 0.847,1194 0.235,1195 0.107,1196 0.489,1197 0.702,1199 0.636,1202 0.381,1203 0.133,1205 0.23,1206 3.434,1208 4.71,1210 6.201,1212 7.786,1214 9.418,1220 5.484,1223 2.336,1231 15.359,1232 37.538,1233 72.168,1234 83.677,1235 91.287,1236 94.042,1237 94.042,1238 17.446,1239 5.576,1240 71.77,1241 71.77,1242 12,1243 11.596,1244 3.322,1245 2.807,1246 21.198,1247 29,1248 26,1249 0.372,1250 98.722,1251 171.89,1252 232.641,1253 1393,1255 9.966,1256 0.712,1257 0.528,1258 9.966,1259 7.397,1260 6.771,1261 0.451,1262 0.279,1263 4.124,1264 6.533,1265 4.047,1266 3.388,1267 6.771,1268 4.178,1269 5.957,1270 0.298,1271 0.145,1272 5.957,1273 2.902,1274 4.776,1275 0.191,1276 0.076,1277 4.776,1278 1.908,1279 3.796,1280 0.122,1281 0.04,1282 3.796,1283 1.253,1284 3.252,1285 0.086,1286 0.021,1287 3.252,1288 0.814,1289 0.542,1290 42.399,1291 0.317,1292 13.956,1293 1.142,1294 70,1295 223.026,1296 76.738,1297 220.699,1298 297.05,1299 204,1300 80,1301 217.933,1302 86.489,1303 221.769,1304 317.72,1305 208,1306 5.222} {0 CHEMBL2348736,1 1.639,2 9.318,3 3.928,4 15.428,5 88.335,6 9.111,7 0.75,8 3.638,9 3.738,10 3.379,11 3.296,12 4.88,13 3.277,14 4.069,15 4.187,16 3.73,17 3.638,18 5.328,19 3.601,20 4.31,21 4.486,22 3.8,23 3.716,24 5.517,25 3.657,26 4.268,27 4.453,28 3.71,29 3.589,30 5.546,31 3.532,32 4.181,33 4.36,34 3.687,35 3.489,36 5.505,37 3.451,38 4.061,39 4.245,40 3.497,41 3.389,42 5.299,43 3.341,44 3.933,45 4.128,46 3.387,47 3.254,48 5.242,49 3.209,50 3.764,51 3.937,52 3.202,53 3.181,54 5.006,55 3.111,56 0.056,57 0.468,58 4.285,59 2.561,60 5.699,61 3.003,62 0.144,63 0.703,64 7.685,65 4.157,66 12.762,67 5.033,68 0.202,69 0.878,70 13.684,71 5.857,72 24.866,73 7.103,74 0.246,75 0.826,76 15.179,77 5.678,78 34.654,79 6.601,80 0.309,81 0.755,82 15.717,83 4.991,84 40.208,85 5.505,86 0.226,87 0.701,88 14.205,89 4.188,90 27.098,91 4.466,92 0.248,93 0.612,94 11.837,95 3.759,96 30.439,97 4.194,98 0.14,99 0.481,100 8.219,101 3.393,102 20.891,103 3.809,104 5,105 32,106 0.297,107 0.48,108 0.593,109 0.721,110 0.793,111 0.825,112 3.147,113 0.883,114 -5.22,115 -5.11,116 -4.78,119 50,133 11,134 3,138 2,147 1,155 1,159 14,162 4,164 2,166 2,168 16,172 6,174 1,176 3,178 12,181 1,182 7,187 3,190 6,193 1,194 9,199 4,202 6,206 8,211 2,213 6,217 7,222 1,224 8,229 3,237 11,242 1,250 12,255 628,256 15.052,257 15.052,258 15.052,259 15.052,260 15.052,261 12.744,262 9.121,263 9.163,264 15.28,265 11.866,266 11.866,267 11.866,268 11.866,269 11.866,270 8.526,271 11.333,272 4.382,273 12.265,274 3.449,275 2.437,276 1.811,277 1.103,278 0.706,279 0.529,280 3.83,282 1,283 1,284 1,285 440,286 2.55,289 219.024,295 1.409,296 18.33,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 46.833,307 205,308 4.398,309 3.572,310 6.472,311 3.995,312 3.033,313 4.077,314 1.058,315 10.049,316 2.919,317 4.151,318 3.217,319 6.046,320 3.801,321 2.8,322 3.678,324 8.669,325 2.797,326 3.758,327 2.426,328 5.31,329 3.309,330 2.344,331 3.29,333 6.805,334 2.253,335 3.458,336 2.414,337 5.03,338 2.979,339 2.066,340 2.799,342 5.723,343 1.875,344 3.185,345 2.166,346 4.192,347 2.697,348 1.698,349 2.436,351 3.915,352 1.677,353 2.961,354 1.608,355 4.024,356 2.479,357 1.526,358 2.154,360 3.507,361 1.401,362 2.554,363 1.323,364 3.481,365 2.044,366 1.039,367 1.506,369 2.503,370 1.032,371 2.5,372 1,373 3.449,374 2,375 1,376 1.5,378 2.457,379 1,380 2.5,381 1,382 3.247,383 2,384 1,385 1.5,386 2.136,387 1,388 2.5,389 1,390 3.247,391 1.99,392 1,393 1.5,394 2.136,395 0.989,396 1.473,397 0.808,398 2.773,399 1.041,400 0.156,401 0.194,402 0.363,403 0.118,404 0.935,405 0.248,406 2.561,407 0.546,408 -0.425,409 -0.536,411 -1.093,412 -0.387,413 0.752,414 -0.508,415 2.21,416 0.281,417 -0.719,418 -0.954,420 -1.602,421 -0.614,422 0.64,423 -0.599,424 1.872,425 0.164,426 -0.786,427 -1.156,429 -1.802,430 -0.776,431 0.5,432 -0.891,433 1.559,435 -1,436 -1.5,438 -2.347,439 -0.972,440 10.748,441 0.489,442 0.435,443 0.02,444 33.5,445 1.523,446 20,447 0.909,448 13.5,449 0.614,450 12.675,451 0.576,452 21.652,453 0.637,454 22.597,455 1.027,456 6.88,457 0.313,458 3.857,459 0.175,460 0.097,462 0.279,466 0.575,467 0.945,468 0.547,469 0.776,470 0.557,471 0.754,472 0.457,473 1.121,474 0.669,475 1.038,476 0.566,477 1.006,478 0.818,479 1.075,480 0.756,481 0.993,482 0.874,483 0.975,484 1.222,485 1.148,486 0.967,487 0.992,488 1.267,489 0.97,490 1.445,491 1.115,492 1.15,493 0.949,494 1.487,495 0.889,496 1.601,497 1.116,498 1.431,499 1.005,500 1.273,501 0.981,502 1.17,503 0.895,504 1.013,505 0.879,506 0.946,507 0.865,508 1.328,509 0.762,510 0.924,511 0.806,512 1.456,513 0.903,514 3.5,515 0.029,516 2.222,517 1.313,518 0.996,519 0.549,520 0.344,521 0.28,522 0.156,523 0.054,524 5058,525 15622,526 2.097,527 35.3,529 11,532 1,536 1.645,537 2,538 3.233,539 -0.31,541 1,545 55.712,546 1.639,547 2.65,548 3.277,549 3.984,550 4.382,551 4.558,552 2.681,553 3.789,554 4.433,555 3.337,556 770.927,557 7.614,558 8505.1,560 1,561 1,562 1,563 172.974,564 1.241,565 4.407,566 0.146,567 0.003,568 0.069,569 0.041,570 0.036,571 0.02,572 0.015,573 0.014,574 0.009,575 0.004,576 0.357,577 0.5,578 1,579 0.517,580 101.244,581 0.031,582 0.091,583 0.012,584 0.036,585 -0.057,586 0.029,587 0.234,588 -0.116,589 -0.007,590 -0.188,591 0.055,592 -0.177,593 0.068,594 -0.094,595 0.084,596 -0.055,597 0.021,598 -0.029,599 -0.045,600 -0.163,601 0.027,602 -0.024,603 0.004,604 -0.012,605 -0.064,606 -0.089,607 -0.012,608 0.016,609 -0.06,610 0.038,611 -0.355,612 -0.029,613 -0.258,614 -0.069,615 -0.231,616 -0.084,617 -0.021,618 0.17,619 0.001,620 0.064,621 0.126,622 0.07,623 -0.225,624 0.194,625 -0.021,626 0.164,627 -0.133,628 0.052,629 1.906,630 5.135,631 0.818,632 16.678,633 1.011,634 1.11,635 3.991,636 15.931,637 0.739,638 3.219,639 3.497,640 3.738,641 3.951,642 4.159,643 4.06,644 4.174,645 4.205,646 4.205,647 4.174,648 5.552,649 0.713,650 309.77,651 3.219,652 4.727,653 5.557,654 6.409,655 7.255,656 8.112,657 8.965,658 9.823,659 10.68,660 11.54,661 8.8,668 1,671 2,675 11,676 2,680 5,682 18,688 1,698 1,699 34,700 19,701 2,702 24,704 36,705 17,706 16,707 2,708 10,709 1,710 3,711 3,712 1,721 17,724 1,728 1,731 1,733 1,736 12,737 4,738 1,739 5,740 1,743 3,747 1,748 1,753 1,760 3,777 3,782 1,785 22,790 1,800 1,801 2.9,804 1,808 11,809 6.126,810 4.917,811 1.919,812 3.118,813 1.467,814 1.003,815 4.24,816 9.794,817 3.555,818 4.135,819 4.698,820 5.245,821 5.786,822 5.825,823 6.227,824 6.514,825 6.799,826 7.059,827 1,828 32,829 8.06,831 3.383,832 7.846,833 15.084,835 11.969,837 2.346,838 51.611,842 129.482,843 123.9,844 51.337,845 39.149,846 25.145,849 123.9,850 193.776,851 51.337,853 18.011,854 104.239,855 63.176,856 9.557,857 44.548,858 129.482,860 129.482,861 175.237,862 25.145,863 39.149,865 129.482,866 25.145,869 18.011,870 123.9,871 33.326,872 39.149,873 129.482,874 76.482,875 163.048,878 129.482,879 19.661,880 104.239,881 18.011,882 97.62,883 129.482,884 76.482,885 163.048,887 0.57,888 0.332,889 0.179,890 0.099,891 15,892 6,893 0.083,894 3,896 1,897 3.49,898 167.5,900 18,901 90.107,904 14.394,905 6.481,906 3.39,908 76.482,909 20.227,910 7.819,914 2.847,916 18.011,917 369.012,918 34,922 12.135,925 -0.24,926 34.374,927 37.724,928 0.322,929 0.521,930 0.644,931 0.783,932 0.861,933 0.896,934 4.741,935 1,936 5.509,937 2.503,938 4.174,939 4.82,940 1.176,941 6.267,942 4.113,943 5.934,944 1,945 7.033,946 2.457,947 3.611,948 4.388,950 7.066,951 3.481,952 7.216,953 1,954 8.661,955 2.136,956 5.707,957 6.97,958 1.255,959 10.165,960 5.595,961 8.535,962 0.156,963 10.352,964 2.136,965 5.994,966 7.359,968 11.825,969 5.827,970 9.885,971 -0.425,972 12.086,973 0.363,974 7.528,975 9.379,976 1.338,977 14.413,978 7.37,979 11.258,980 -0.719,981 13.848,982 -1.093,983 8.223,984 10.186,986 16.424,987 8.019,988 12.649,989 -0.786,990 15.631,991 -1.602,992 9.508,993 11.926,994 1.422,995 18.826,996 9.3,997 3.033,998 -1,999 17.428,1000 -1.802,1001 10.405,1002 12.972,1004 20.992,1005 10.158,1006 2.8,1007 10.049,1008 19.236,1009 -2.347,1010 11.578,1011 14.557,1012 1.51,1013 23.324,1014 11.316,1015 2.344,1016 8.669,1017 21.053,1018 4.077,1019 12.575,1020 15.744,1022 25.559,1023 12.276,1024 2.066,1025 6.805,1026 22.876,1027 3.678,1028 13.699,1029 17.242,1030 1.599,1031 27.866,1032 13.378,1033 1.698,1034 5.723,1035 24.705,1036 3.29,1037 14.746,1038 18.514,1040 30.133,1041 14.388,1042 1.526,1043 3.915,1044 26.538,1045 2.799,1046 15.85,1047 19.964,1048 1.69,1049 32.432,1050 15.464,1051 1.039,1052 3.507,1053 28.375,1054 2.436,1055 16.92,1056 21.285,1058 34.715,1059 16.498,1060 4887,1061 8729,1062 16.296,1063 25.137,1064 35.71,1065 36.807,1066 35.876,1067 35.403,1068 35.326,1069 49.268,1070 2.117,1071 96.528,1072 34.121,1073 5.223,1074 5.572,1075 6.274,1076 5.036,1077 5.033,1078 7.077,1079 2.117,1080 16.68,1081 4.919,1082 7.927,1083 1.488,1084 1.534,1085 1.495,1086 1.475,1087 1.472,1088 2.053,1089 0.088,1090 4.022,1091 1.422,1092 3.997,1093 4.027,1094 4.042,1095 3.923,1096 7.429,1097 3.923,1098 3.9,1099 3.926,1100 3.848,1101 3.839,1102 5.136,1103 3.835,1104 3.704,1105 3.751,1106 3.719,1107 3.574,1108 4.73,1109 3.585,1110 3.303,1111 3.332,1112 3.412,1113 3.095,1114 4.721,1115 3.126,1116 2.876,1117 2.925,1118 3.1,1119 2.754,1120 4.469,1121 2.756,1122 2.854,1123 2.925,1124 2.782,1125 2.735,1126 3.918,1127 2.715,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.747,1133 2.715,1134 2.783,1135 2.836,1136 2.687,1137 2.635,1138 3.674,1139 2.63,1140 0.183,1141 0.149,1142 0.27,1143 0.166,1144 0.126,1145 4.398,1146 0.17,1147 3.572,1148 0.044,1149 6.472,1150 0.419,1151 3.995,1152 0.122,1153 3.033,1154 4.077,1155 1.058,1156 10.049,1157 2.919,1158 1.952,1159 1.928,1160 2.045,1161 2.046,1162 1.137,1163 2.044,1164 1.898,1165 1.874,1166 2.015,1167 1.982,1168 1.074,1169 1.994,1170 1.649,1171 1.609,1172 1.73,1173 1.812,1174 0.777,1175 1.799,1176 1.188,1177 1.16,1178 1.302,1179 1.43,1180 0.318,1181 1.392,1182 0.886,1183 0.821,1184 1.181,1185 1.062,1186 0.218,1187 1.107,1188 0.886,1189 0.821,1190 1.181,1191 1.062,1192 0.218,1193 1.107,1194 0.85,1195 0.804,1196 1.061,1197 1.018,1198 0.146,1199 1.031,1200 0.696,1201 0.648,1202 0.891,1203 0.918,1205 0.923,1206 3.892,1208 5.176,1210 6.668,1212 8.247,1214 9.869,1217 6.098,1223 2.724,1231 24.241,1232 55.712,1233 90.111,1234 111.41,1235 135.464,1236 148.974,1237 154.974,1238 31.734,1239 6.676,1240 54.88,1241 54.88,1242 18,1243 12.091,1244 4.322,1245 3.459,1246 34.456,1247 73,1248 68,1249 0.232,1250 155.098,1251 263.48,1252 370.199,1253 6430,1254 2.9,1255 15.364,1256 0.698,1257 0.559,1258 15.864,1259 12.287,1260 10.737,1261 0.447,1262 0.294,1263 6.66,1264 10.202,1265 6.493,1266 5.413,1267 11.026,1268 7.067,1269 9.329,1270 0.292,1271 0.156,1272 9.7,1273 4.978,1274 7.782,1275 0.19,1276 0.083,1277 8.14,1278 3.39,1279 6.303,1280 0.124,1281 0.044,1282 6.59,1283 2.237,1284 5.157,1285 0.082,1286 0.023,1287 5.468,1288 1.475,1289 0.36,1290 69.492,1291 0.248,1292 21.741,1293 0.643,1294 112,1295 345.562,1296 135.935,1297 372.683,1298 498.91,1299 346,1300 129,1301 346.215,1302 148.801,1303 362.833,1304 524.73,1305 341,1306 5} {0 CHEMBL2348737,1 1.576,2 9.318,3 2.179,4 4.746,5 82.974,6 8.324,7 0.5,8 3.668,9 3.776,10 3.325,11 3.276,12 4.918,13 3.271,14 4.106,15 4.23,16 3.646,17 3.621,18 5.389,19 3.595,20 4.354,21 4.53,22 3.685,23 3.688,24 5.618,25 3.649,26 4.312,27 4.501,28 3.587,29 3.542,30 5.627,31 3.517,32 4.253,33 4.444,34 3.55,35 3.451,36 5.602,37 3.441,38 4.161,39 4.358,40 3.393,41 3.36,42 5.438,43 3.343,44 4.023,45 4.231,46 3.255,47 3.253,48 5.4,49 3.216,50 3.866,51 4.063,52 3.069,53 3.166,54 5.111,55 3.11,56 0.066,57 0.505,58 5.432,59 2.818,60 6.161,61 3.26,62 0.165,63 0.764,64 9.033,65 4.564,66 14.698,67 5.516,68 0.235,69 0.935,70 14.438,71 6.076,72 33.871,73 7.463,74 0.263,75 0.885,76 14.724,77 5.535,78 38.217,79 6.651,80 0.338,81 0.833,82 14.425,83 5.015,84 46.698,85 5.942,86 0.272,87 0.782,88 12.978,89 4.285,90 42.234,91 4.844,92 0.284,93 0.673,94 11.514,95 3.958,96 48.601,97 4.903,98 0.156,99 0.542,100 9.68,101 3.828,102 23.391,103 4.634,104 5,105 32,106 0.284,107 0.516,108 0.621,109 0.73,110 0.8,111 0.831,112 3.147,113 0.844,114 -4.6,115 -4.52,116 -4.26,119 48.6,130 1,131 1,133 10,134 2,147 3,157 1,159 14,162 3,164 3,166 3,168 15,171 1,172 5,175 1,176 5,178 10,181 1,182 7,187 5,190 4,194 8,197 2,199 6,202 4,206 6,211 5,213 5,216 1,217 5,222 3,224 7,229 4,234 1,237 9,242 3,250 10,255 628,256 15.052,257 15.052,258 15.052,259 15.052,260 15.052,261 12.937,262 9.813,263 9.163,264 15.137,265 11.866,266 11.866,267 11.866,268 11.866,269 11.866,270 8.703,271 10.618,272 4.382,273 11.957,274 3.553,275 2.265,276 1.678,277 1.072,278 0.686,279 0.514,280 3.83,283 1,284 1,285 440,286 2.55,289 219.024,295 1.409,296 22.073,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47.5,307 205,308 4.397,309 3.619,310 6.472,311 4.031,312 3.033,313 3.912,314 1.091,315 10.049,316 3.025,317 4.153,318 3.553,319 6.046,320 3.804,321 2.8,322 3.677,323 0.98,324 8.669,325 2.806,326 3.77,327 2.762,328 5.31,329 3.315,330 2.344,331 3.195,332 0.539,333 6.805,334 2.277,335 3.489,336 2.557,337 5.03,338 3.062,339 2.066,340 2.755,342 5.723,343 2.041,344 3.203,345 2.176,346 4.192,347 2.709,348 1.698,349 2.425,351 3.915,352 1.708,353 2.985,354 1.666,355 4.024,356 2.525,357 1.526,358 2.103,360 3.507,361 1.52,362 2.561,363 1.324,364 3.481,365 2.05,366 1.039,367 1.506,369 2.503,370 1.043,371 2.526,372 1.098,373 3.449,374 2,375 1,376 1.5,378 2.457,379 1,380 2.5,381 1,382 3.247,383 2,384 1,385 1.5,386 2.136,387 1,388 2.5,389 1,390 3.247,391 1.99,392 1,393 1.403,394 2.136,395 0.989,396 1.569,397 0.976,398 2.773,399 1.199,400 0.156,401 0.203,402 0.363,403 0.161,404 0.917,405 0.442,406 2.561,407 0.583,408 -0.425,409 -0.504,411 -1.093,412 -0.425,413 0.793,414 -0.358,415 2.21,416 0.283,417 -0.719,418 -1.007,420 -1.602,421 -0.709,422 0.735,423 -0.502,424 1.872,425 0.251,426 -0.786,427 -1.234,429 -1.802,430 -0.814,431 0.5,432 -0.832,433 1.559,435 -1,436 -1.265,438 -2.347,439 -0.973,440 10.367,441 0.471,442 0.435,443 0.02,444 31.5,445 1.432,446 18,447 0.818,448 13.5,449 0.614,450 12.682,451 0.576,452 22.033,453 0.63,454 22.59,455 1.027,456 6.729,457 0.306,458 4.009,459 0.182,460 0.064,462 0.289,466 0.623,467 0.94,468 0.691,469 0.844,470 0.546,471 0.784,472 0.492,473 1.11,474 0.837,475 1.092,476 0.577,477 1.046,478 0.88,479 1.081,480 0.933,481 1.076,482 0.907,483 1.03,484 1.21,485 1.171,486 1.007,487 1.07,488 1.166,489 1.011,490 1.355,491 1.109,492 0.978,493 0.912,494 1.4,495 0.883,496 1.616,497 1.098,498 1.192,499 0.904,500 1.472,501 0.938,502 1.044,503 0.907,504 1.02,505 0.846,506 0.777,507 0.885,508 1.161,509 0.778,510 1.029,511 0.913,512 1.124,513 0.935,514 3.5,515 0.029,516 2.222,517 1.313,518 0.996,519 0.549,520 0.344,521 0.28,522 0.156,523 0.054,524 5058,525 14920,526 2.097,527 37.1,529 11,532 2,536 1.645,537 2,538 3.233,539 0.304,541 1,543 1,545 55.177,546 1.576,547 2.864,548 3.451,549 4.058,550 4.444,551 4.615,552 2.681,553 3.789,554 4.433,555 3.337,556 770.927,557 7.614,558 8505.1,559 1,560 1,562 1,563 179.525,564 1.241,565 4.407,566 0.146,567 0.003,568 0.069,569 0.041,570 0.036,571 0.02,572 0.015,573 0.014,574 0.009,575 0.004,576 0.357,577 0.5,578 1,579 0.517,580 101.244,581 -0.004,582 0.139,583 0.02,584 0.072,585 -0.064,586 0.055,587 0.202,588 -0.074,589 -0.068,590 -0.162,591 0.031,592 -0.174,593 0.041,594 -0.1,595 -0.004,596 -0.115,597 0.004,598 -0.081,599 -0.061,600 -0.18,601 -0.013,602 -0.125,603 -0.017,604 -0.072,605 -0.035,606 -0.099,607 0.05,608 0.021,609 -0.068,610 0.041,611 -0.331,612 -0.039,613 -0.181,614 0.002,615 -0.243,616 -0.042,617 0.036,618 0.128,619 -0.005,620 0.09,621 0.22,622 0.063,623 -0.148,624 0.16,625 -0.035,626 0.081,627 -0.041,628 0.062,629 1.969,630 5.104,631 0.818,632 16.678,633 1.011,634 1.114,635 3.372,636 11.371,637 0.707,638 3.219,639 3.497,640 3.738,641 3.951,642 4.159,643 4.06,644 4.174,645 4.205,646 4.205,647 4.174,648 5.552,649 0.689,650 291.33,651 3.219,652 4.727,653 5.557,654 6.409,655 7.255,656 8.112,657 8.965,658 9.823,659 10.68,660 11.54,661 8.6,668 2,670 1,675 10,680 2,682 12,688 1,699 35,700 16,701 2,702 24,704 37,705 17,706 12,707 2,708 10,709 5,710 3,711 3,721 17,724 4,728 2,729 1,730 1,731 4,732 1,733 1,736 13,737 5,738 2,739 5,743 3,745 1,747 1,748 2,760 3,770 1,771 1,777 3,785 22,790 2,801 5.7,804 2,808 11,809 6.2,810 4.917,811 1.947,812 2.582,813 1.387,814 1.005,815 4.013,816 9.258,817 3.555,818 4.094,819 4.63,820 5.125,821 5.627,822 5.612,823 5.957,824 6.158,825 6.404,826 6.602,827 1,828 32,829 8.095,831 3.441,832 7.955,833 15.024,835 11.954,837 2.455,838 54,842 129.482,843 125.533,844 52.562,846 50.29,849 125.533,850 179.772,851 52.562,853 35.899,854 104.239,855 62.027,856 26.22,858 129.482,860 129.482,861 178.095,862 50.29,865 129.482,866 50.29,869 52.562,870 116.056,871 9.476,873 129.482,874 102.852,875 125.533,878 129.482,879 21.294,880 104.239,881 35.899,882 66.953,883 129.482,884 102.852,885 125.533,887 0.57,888 0.332,889 0.179,890 0.099,891 15,892 6,893 0.081,894 3,896 1,897 3.49,898 167.5,900 18,901 90.107,904 14.083,905 6.269,906 3.255,908 102.852,909 18.03,914 1.29,916 35.899,917 357.867,918 34,922 24.001,923 1.564,924 3.86,925 0.175,926 35.378,927 38.99,928 0.307,929 0.558,930 0.673,931 0.791,932 0.866,933 0.9,934 4.754,935 1,936 5.509,937 2.503,938 4.174,939 4.779,940 1.772,941 6.267,942 4.161,943 5.944,944 1,945 7.033,946 2.457,947 3.611,948 4.331,950 7.066,951 3.606,952 7.228,953 1,954 8.661,955 2.136,956 5.707,957 6.877,958 1.765,959 10.165,960 5.68,961 8.547,962 0.156,963 10.352,964 2.136,965 5.994,966 7.24,968 11.825,969 5.983,970 9.897,971 -0.425,972 12.086,973 0.363,974 7.528,975 9.228,976 1.822,977 14.413,978 7.495,979 11.269,980 -0.719,981 13.848,982 -1.093,983 8.223,984 10.001,986 16.424,987 8.206,988 12.66,989 -0.786,990 15.631,991 -1.602,992 9.508,993 11.713,994 1.905,995 18.826,996 9.475,997 3.033,998 -1,999 17.428,1000 -1.802,1001 10.405,1002 12.716,1004 20.992,1005 10.385,1006 2.8,1007 10.049,1008 19.236,1009 -2.347,1010 11.578,1011 14.276,1012 2.001,1013 23.324,1014 11.548,1015 2.344,1016 8.669,1017 21.053,1018 3.912,1019 12.575,1020 15.415,1022 25.559,1023 12.552,1024 2.066,1025 6.805,1026 22.876,1027 3.677,1028 13.699,1029 16.887,1030 2.108,1031 27.866,1032 13.67,1033 1.698,1034 5.723,1035 24.705,1036 3.195,1037 14.746,1038 18.108,1040 30.133,1041 14.72,1042 1.526,1043 3.915,1044 26.538,1045 2.755,1046 15.85,1047 19.529,1048 2.224,1049 32.432,1050 15.82,1051 1.039,1052 3.507,1053 28.375,1054 2.425,1055 16.92,1056 20.8,1058 34.715,1059 16.891,1060 4887,1061 8516,1062 16.296,1063 24.733,1064 36.14,1065 37.445,1066 35.876,1067 35.371,1068 35.326,1069 48.359,1070 5.219,1071 96.528,1072 35.14,1073 5.247,1074 5.619,1075 6.274,1076 5.07,1077 5.033,1078 6.912,1079 2.181,1080 16.68,1081 5.025,1082 7.927,1083 1.506,1084 1.56,1085 1.495,1086 1.474,1087 1.472,1088 2.015,1089 0.217,1090 4.022,1091 1.464,1092 3.987,1093 4.016,1094 3.941,1095 3.908,1096 7.432,1097 3.909,1098 3.9,1099 3.925,1100 3.839,1101 3.839,1102 7.427,1103 3.835,1104 3.693,1105 3.742,1106 3.634,1107 3.533,1108 4.83,1109 3.553,1110 3.322,1111 3.35,1112 3.272,1113 3.092,1114 4.724,1115 3.13,1116 2.916,1117 2.989,1118 2.87,1119 2.75,1120 4.673,1121 2.764,1122 2.908,1123 2.928,1124 2.82,1125 2.735,1126 3.869,1127 2.715,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.776,1133 2.715,1134 2.854,1135 2.925,1136 2.687,1137 2.646,1138 3.674,1139 2.692,1140 0.183,1141 0.151,1142 0.27,1143 0.168,1144 0.126,1145 4.397,1146 0.163,1147 3.619,1148 0.045,1149 6.472,1150 0.419,1151 4.031,1152 0.126,1153 3.033,1154 3.912,1155 1.091,1156 10.049,1157 3.025,1158 1.943,1159 1.92,1160 2.044,1161 2.045,1162 1.128,1163 2.04,1164 1.899,1165 1.874,1166 2.016,1167 1.983,1168 1.074,1169 1.995,1170 1.625,1171 1.585,1172 1.725,1173 1.82,1174 0.748,1175 1.799,1176 1.197,1177 1.17,1178 1.319,1179 1.467,1180 0.316,1181 1.418,1182 0.886,1183 0.821,1184 1.181,1185 1.105,1186 0.218,1187 1.107,1188 0.886,1189 0.821,1190 1.181,1191 1.062,1192 0.218,1193 1.107,1194 0.866,1195 0.81,1196 1.077,1197 1.062,1198 0.135,1199 1.103,1200 0.787,1201 0.748,1202 0.997,1203 1.042,1205 1.025,1206 3.892,1208 5.176,1210 6.668,1212 8.247,1214 9.869,1223 5.079,1231 24.128,1232 55.177,1233 100.252,1234 120.796,1235 142.015,1236 155.525,1237 161.525,1238 35.889,1239 6.676,1240 74.85,1241 74.85,1242 18,1243 12.091,1244 4.087,1245 3.459,1246 34.456,1247 73,1248 68,1249 0.232,1250 150.761,1251 267.96,1252 359.618,1253 6430,1255 15.364,1256 0.698,1257 0.528,1258 15.364,1259 11.615,1260 10.737,1261 0.447,1262 0.281,1263 6.679,1264 10.411,1265 6.558,1266 5.471,1267 10.737,1268 6.754,1269 9.329,1270 0.292,1271 0.146,1272 9.329,1273 4.682,1274 7.782,1275 0.19,1276 0.077,1277 7.782,1278 3.166,1279 6.303,1280 0.124,1281 0.041,1282 6.303,1283 2.08,1284 5.157,1285 0.082,1286 0.022,1287 5.157,1288 1.357,1289 0.36,1290 66.894,1291 0.248,1292 21.741,1293 0.643,1294 112,1295 355.782,1296 121.979,1297 348.706,1298 470.94,1299 324,1300 129,1301 342.978,1302 138.815,1303 348.379,1304 503.34,1305 328,1306 5} {0 CHEMBL2348738,1 1.558,2 9.154,3 5.715,4 32.656,5 105.902,6 7.23,7 0.407,8 3.999,9 4.129,10 3.526,11 3.543,12 5.048,13 3.488,14 4.561,15 4.761,16 3.864,17 3.908,18 5.543,19 3.815,20 4.848,21 5.099,22 4.023,23 4.028,24 5.846,25 3.937,26 4.836,27 5.062,28 4.089,29 4.007,30 6.062,31 3.942,32 4.838,33 5.05,34 4.051,35 3.998,36 6.055,37 3.948,38 4.842,39 5.044,40 3.999,41 4.027,42 6.045,43 3.964,44 4.877,45 5.079,46 3.992,47 4.064,48 6.07,49 3.963,50 4.886,51 5.13,52 3.719,53 4.07,54 5.8,55 3.893,56 0.033,57 0.725,58 11.17,59 5.021,60 6.5,61 6.858,62 0.231,63 1.128,64 22.123,65 8.351,66 21.161,67 11.909,68 0.316,69 1.349,70 32.062,71 10.249,72 43.882,73 14.775,74 0.477,75 1.33,76 32.176,77 9.481,78 85.24,79 13.607,80 0.535,81 1.329,82 32.795,83 8.896,84 76.137,85 12.661,86 0.402,87 1.332,88 31.372,89 9.457,90 69.964,91 12.98,92 0.612,93 1.356,94 34.173,95 10.264,96 101.094,97 13.943,98 0.331,99 1.356,100 35.465,101 11.713,102 57.502,103 16.411,104 47,105 35,106 0.263,107 0.503,108 0.662,109 0.744,110 0.757,111 0.763,112 3.305,113 1.082,114 -5.87,115 -5.73,116 -5.34,119 38.5,120 2,121 8,133 4,134 2,138 2,147 2,155 1,159 14,161 3,162 8,168 13,171 1,172 11,178 9,181 3,182 16,190 7,193 2,194 18,202 9,206 14,213 13,217 10,224 18,229 6,237 19,242 2,250 16,255 1200,256 17.656,257 17.656,258 17.656,259 17.656,260 17.656,261 16.089,262 12.442,263 11.045,264 17.892,265 13.247,266 13.247,267 13.247,268 13.247,269 13.247,270 10.807,271 12.253,272 5.127,273 13.659,274 4.142,275 2.723,276 1.779,277 1.298,278 1.221,279 1.183,280 3.969,282 1,285 479,286 4.359,289 140.784,292 120.783,295 1.331,296 31.796,299 0.75,300 0.83,301 0.83,302 1,303 1,304 1,305 0.92,306 55.833,307 238,308 4.633,309 3.946,310 6.942,311 4.214,312 3.256,313 4.552,314 2.049,315 11.689,316 3.117,317 4.151,318 3.386,319 6.401,320 3.816,321 2.851,322 3.474,323 1.798,324 9.669,325 2.747,326 3.518,327 3.256,328 5.456,329 3.1,330 2.118,331 2.89,332 0.314,333 6.567,334 2.124,335 3.382,336 2.625,337 4.903,338 3.043,339 2.067,340 2.635,342 5.349,343 1.945,344 3.297,345 2.069,346 4.669,347 2.807,348 1.853,349 2.499,351 4.751,352 1.717,353 2.781,354 1.694,355 3.899,356 2.615,357 1.618,358 1.917,360 3.264,361 1.611,362 2.659,363 1.693,364 3.618,365 2.525,366 1.509,367 1.662,369 2.896,370 1.528,371 2.601,372 1.345,373 3.595,374 2.269,375 1.283,376 1.585,378 2.849,379 1.26,380 2.458,381 1.257,382 3.54,383 2.006,384 1.033,385 1.431,386 2.523,387 0.989,388 1.882,389 1.068,390 3.227,391 1.764,392 0.794,393 0.844,394 1.572,395 0.754,396 1.74,397 1,398 2.769,399 1.638,400 0.618,401 0.657,402 0.998,403 0.628,404 1.648,405 0.968,406 2.64,407 1.263,408 0.302,409 0.369,411 0.613,412 0.266,413 1.122,414 0.361,415 2.404,416 0.702,417 -0.221,418 -0.253,420 -0.447,421 -0.181,422 0.891,423 0.156,424 2.254,425 0.628,426 -0.402,427 -0.433,429 -0.642,430 -0.411,431 0.764,432 0.022,433 2,434 0.552,435 -0.48,436 -0.613,438 -0.942,439 -0.474,440 12.581,441 0.484,442 0.49,443 0.019,444 29,445 1.115,446 13.5,447 0.519,448 15.5,449 0.596,450 26.396,451 1.015,452 29.419,453 0.566,454 21.211,455 0.816,456 4.998,457 0.192,458 7.598,459 0.292,460 0.189,462 0.27,466 0.536,467 1.36,468 0.707,469 1.145,470 0.497,471 1.081,472 0.41,473 1.247,474 0.699,475 1.112,476 0.502,477 1.062,478 0.881,479 1.004,480 0.638,481 0.813,482 0.925,483 0.765,484 1.118,485 1.119,486 0.792,487 0.86,488 1.119,489 0.809,490 1.61,491 0.994,492 0.985,493 0.872,494 1.729,495 0.858,496 1.785,497 1.017,498 0.999,499 0.928,500 1.93,501 0.952,502 1.623,503 1.005,504 1.09,505 1.018,506 1.847,507 1.103,508 1.01,509 1.081,510 1.228,511 1.179,512 0.953,513 1.214,514 3.5,515 0.115,516 2.889,517 2.25,518 1.627,519 1.028,520 0.651,521 0.385,522 0.205,523 0.163,524 6445,525 16386,526 1.952,527 50,528 18,529 4,533 4,536 1.701,537 1.814,538 3.16,539 -0.76,545 81.018,546 1.558,547 2.977,548 3.921,549 4.402,550 4.479,551 4.518,552 2.643,553 3.844,554 4.662,555 3.346,556 1087.44,557 8.141,558 13562.8,563 296.423,564 1.448,565 4.62,566 0.13,567 0.009,568 0.083,569 0.056,570 0.039,571 0.025,572 0.017,573 0.011,574 0.008,575 0.008,576 0.385,577 0.17,578 0.88,579 2.242,580 125.496,581 0.059,582 -0.086,583 0.025,584 -0.054,585 0.022,586 -0.025,587 0.267,588 -0.124,589 0.098,590 -0.089,591 0.089,592 -0.044,593 0.079,594 -0.003,595 0.236,596 0.142,597 0.034,598 0.206,599 0.155,600 -0.082,601 0.168,602 0.082,603 0.201,604 0.131,605 -0.08,606 0.076,607 -0.008,608 0.049,609 -0.077,610 0.052,611 -0.268,612 0.048,613 -0.094,614 0.008,615 -0.169,616 -0.029,617 -0.158,618 0.039,619 -0.141,620 -0.056,621 -0.141,622 -0.164,623 -0.149,624 -0.096,625 -0.218,626 -0.164,627 -0.112,628 -0.21,629 1.887,630 5.826,631 0.385,632 23.882,633 0.998,634 1.132,635 4.644,636 21.564,637 0.652,638 3.332,639 3.584,640 3.85,641 4.111,642 4.317,643 4.382,644 4.466,645 4.454,646 4.407,647 4.22,648 5.768,649 0.609,650 375.94,651 3.332,652 4.828,653 5.659,654 6.524,655 7.39,656 8.274,657 9.156,658 10.049,659 10.939,660 11.837,661 5.8,668 1,671 2,674 2,675 4,676 2,680 2,682 11,698 1,699 52,700 13,701 1,702 27,704 53,705 20,706 8,707 2,708 4,710 2,711 3,712 1,715 2,719 8,721 10,722 10,724 2,728 2,731 2,736 26,737 5,739 6,740 1,743 3,746 1,747 0.5,748 2,753 1,760 2,763 1,777 1,781 2,782 1,785 26,789 8,794 1,800 1,801 3.8,804 2,808 14.333,809 9.91,810 6.167,811 3.847,812 2.368,813 1.352,814 0.928,815 8.153,816 9.102,817 3.57,818 4.086,819 4.656,820 5.267,821 5.821,822 6.117,823 6.495,824 6.792,825 7.076,826 6.886,827 1,828 40,829 9.704,831 3.999,832 7.812,833 18.533,835 14.654,837 2.312,838 60.111,842 306.049,843 95.787,844 36.45,845 39.149,846 50.29,849 95.787,850 395.487,851 36.45,852 17.65,853 23.401,854 37.905,855 93.025,856 5.146,857 44.548,858 306.049,860 306.049,861 132.237,862 50.29,863 39.149,865 306.049,866 50.29,869 41.051,870 57.86,871 33.326,872 39.149,873 306.049,874 86.74,875 134.935,878 306.049,879 40.231,880 58.68,882 122.765,883 306.049,884 86.74,885 134.935,887 0.55,888 0.324,889 0.182,890 0.101,891 13,892 7,893 0.17,894 9,895 1,896 1.2,897 3.61,898 208.197,899 0.2,900 10,901 108.211,904 20.48,905 10.35,906 5.333,907 1.354,908 86.74,909 7.315,910 8.063,914 0.55,917 527.724,918 34.5,922 25.651,925 -0.441,926 51.887,927 58.84,928 0.273,929 0.522,930 0.688,931 0.772,932 0.786,933 0.792,934 4.769,935 1.283,936 5.617,937 2.896,938 4.263,939 4.771,940 2.596,941 6.431,942 4.201,943 5.941,944 1.033,945 7.175,946 2.849,947 3.761,948 4.59,949 2.221,950 7.427,951 3.62,952 7.235,953 0.794,954 8.853,955 2.523,956 5.826,957 6.96,958 3.622,959 10.595,960 5.69,961 8.575,962 0.618,963 10.604,964 1.572,965 6.236,966 7.692,967 3.794,968 12.485,969 6.017,970 9.958,971 0.302,972 12.403,973 0.998,974 7.737,975 9.543,976 4.826,977 15.17,978 7.512,979 11.371,980 -0.221,981 14.235,982 0.613,983 8.574,984 10.699,985 5.252,986 17.393,987 8.277,988 12.807,989 -0.402,990 16.089,991 -0.447,992 9.857,993 12.348,994 6.115,995 19.919,996 9.538,997 3.256,998 -0.48,999 17.959,1000 -0.642,1001 10.884,1002 13.701,1003 6.671,1004 22.273,1005 10.504,1006 2.851,1007 11.689,1008 19.841,1009 -0.942,1010 12.086,1011 15.269,1012 7.451,1013 24.746,1014 11.674,1015 2.118,1016 9.669,1017 21.731,1018 4.552,1019 13.193,1020 16.71,1021 8.077,1022 27.153,1023 12.728,1024 2.067,1025 6.567,1026 23.629,1027 3.474,1028 14.369,1029 18.245,1030 8.816,1031 29.609,1032 13.865,1033 1.853,1034 5.349,1035 25.532,1036 2.89,1037 15.51,1038 19.726,1039 9.479,1040 32.04,1041 14.957,1042 1.618,1043 4.751,1044 27.439,1045 2.635,1046 16.678,1047 21.249,1048 10.201,1049 34.492,1050 16.084,1051 1.509,1052 3.264,1053 29.35,1054 2.499,1055 17.835,1056 22.748,1057 10.885,1058 36.935,1059 17.194,1060 6721,1061 10984,1062 17.394,1063 33.921,1064 38.833,1065 40.748,1066 41.093,1067 38.742,1068 38.603,1069 49.031,1070 8.323,1071 105.478,1072 37.37,1073 5.576,1074 5.946,1075 6.852,1076 5.256,1077 5.256,1078 7.552,1079 3.493,1080 19.236,1081 5.117,1082 14.525,1083 1.438,1084 1.509,1085 1.522,1086 1.435,1087 1.43,1088 1.816,1089 0.308,1090 3.907,1091 1.384,1092 4.076,1093 4.103,1094 4.121,1095 3.997,1096 7.443,1097 4.002,1098 3.798,1099 3.847,1100 3.721,1101 3.654,1102 7.411,1103 3.651,1104 3.709,1105 3.775,1106 3.543,1107 3.58,1108 5.158,1109 3.561,1110 3.557,1111 3.615,1112 3.542,1113 3.368,1114 4.58,1115 3.377,1116 3.369,1117 3.439,1118 3.418,1119 3.192,1120 4.435,1121 3.19,1122 3.346,1123 3.408,1124 3.192,1125 3.185,1126 4.186,1127 3.178,1128 3.123,1129 3.195,1130 3.11,1131 2.973,1132 4.157,1133 2.961,1134 2.947,1135 3,1136 2.821,1137 2.775,1138 3.837,1139 2.771,1140 0.172,1141 0.146,1142 0.257,1143 0.156,1144 0.121,1145 4.633,1146 0.169,1147 3.946,1148 0.076,1149 6.942,1150 0.433,1151 4.214,1152 0.115,1153 3.256,1154 4.552,1155 2.049,1156 11.689,1157 3.117,1158 2.022,1159 2.001,1160 2.083,1161 2.118,1162 1.331,1163 2.108,1164 1.77,1165 1.716,1166 2.01,1167 1.94,1168 1.316,1169 1.963,1170 1.734,1171 1.671,1172 1.999,1173 1.901,1174 1.211,1175 1.938,1176 1.514,1177 1.458,1178 1.754,1179 1.735,1180 0.954,1181 1.74,1182 1.378,1183 1.306,1184 1.698,1185 1.595,1186 0.917,1187 1.632,1188 1.284,1189 1.229,1190 1.444,1191 1.494,1192 0.543,1193 1.49,1194 1.094,1195 1.037,1196 1.312,1197 1.332,1198 0.453,1199 1.337,1200 0.938,1201 0.879,1202 1.28,1203 1.175,1204 0.411,1205 1.208,1206 4.007,1208 5.273,1210 6.756,1212 8.357,1214 10.028,1216 4.159,1217 6.136,1222 6.105,1227 1.219,1231 31.643,1232 81.018,1233 154.806,1234 203.894,1235 228.913,1236 232.913,1237 234.913,1238 77.162,1239 6.733,1240 63.16,1241 63.16,1242 12,1243 12.363,1244 3.807,1245 3.087,1246 54.369,1247 82,1248 112,1249 0.309,1250 204.047,1251 355.35,1252 489.635,1253 6150,1254 1.9,1255 18.941,1256 0.728,1257 0.625,1258 19.441,1259 16.258,1260 12.596,1261 0.467,1262 0.361,1263 9.316,1264 11.97,1265 9.035,1266 7.629,1267 12.884,1268 9.742,1269 10.354,1270 0.296,1271 0.193,1272 10.725,1273 6.755,1274 8.446,1275 0.184,1276 0.1,1277 8.804,1278 4.601,1279 7.01,1280 0.117,1281 0.051,1282 7.3,1283 3.076,1284 5.446,1285 0.074,1286 0.026,1287 5.721,1288 1.956,1289 0.468,1290 81.313,1291 0.24,1292 24.753,1293 0.901,1294 124,1295 374.61,1296 151.176,1297 390.999,1298 516.78,1299 362,1300 143,1301 354.823,1302 166.46,1303 364.994,1304 535.76,1305 344,1306 5} {0 CHEMBL2348739,1 1.588,2 9.333,3 5.042,4 25.419,5 118.486,6 8.665,7 0.697,8 3.971,9 4.068,10 3.672,11 3.625,12 5.173,13 3.601,14 4.45,15 4.577,16 4.038,17 3.994,18 5.63,19 3.95,20 4.724,21 4.894,22 4.156,23 4.108,24 5.904,25 4.058,26 4.759,27 4.942,28 4.191,29 4.048,30 6.105,31 4.01,32 4.76,33 4.933,34 4.18,35 4.006,36 6.142,37 4.008,38 4.718,39 4.867,40 4.184,41 4.075,42 6.088,43 4.067,44 4.789,45 4.932,46 4.242,47 4.172,48 6.166,49 4.128,50 4.834,51 5.031,52 4.043,53 4.202,54 5.948,55 4.099,56 0.045,57 0.632,58 6.837,59 3.935,60 7.827,61 4.761,62 0.202,63 1.011,64 13.173,65 6.562,66 16.684,67 8.197,68 0.285,69 1.314,70 21.483,71 8.965,72 43.372,73 10.738,74 0.387,75 1.356,76 24.516,77 9.389,78 74.384,79 11.556,80 0.584,81 1.366,82 26.199,83 8.326,84 84.157,85 8.676,86 0.343,87 1.283,88 21.624,89 8.296,90 57.551,91 8.756,92 0.502,93 1.338,94 23.493,95 9.411,96 90.178,97 10.081,98 0.381,99 1.423,100 29.921,101 10.956,102 64.691,103 13.437,104 10,105 45,106 0.264,107 0.49,108 0.571,109 0.686,110 0.742,111 0.749,112 3.441,113 0.896,114 -6.29,115 -6.12,116 -5.69,119 50,121 2,133 14,134 4,138 2,147 2,155 1,159 20,161 3,162 8,168 23,171 1,172 11,178 15,181 3,182 20,190 7,193 2,194 22,202 9,206 18,213 17,217 16,224 28,229 8,237 32,242 2,250 30,255 1712,256 20.535,257 20.535,258 20.535,259 20.535,260 20.535,261 17.465,262 17.17,263 12.411,264 20.771,265 16.316,266 16.316,267 16.316,268 16.316,269 16.316,270 11.84,271 20.746,272 5.914,273 16.731,274 3.997,275 2.638,276 2.152,277 1.458,278 1.125,279 1.083,280 4.138,282 1,284 1,285 605,286 3.742,289 372.818,292 135.507,295 1.333,296 33.491,299 0.75,300 0.83,301 0.83,302 0.5,304 0.83,305 0.68,306 63.833,307 280,308 4.635,309 3.966,310 6.945,311 4.22,312 3.261,313 4.552,314 2.113,315 11.703,316 3.125,317 4.19,318 3.441,319 6.409,320 3.85,321 2.88,322 3.576,323 1.892,324 9.714,325 2.796,326 3.929,327 3.259,328 5.522,329 3.566,330 2.562,331 3.464,332 0.495,333 7.297,334 2.573,335 3.84,336 2.701,337 5.465,338 3.433,339 2.451,340 3.338,341 0.166,342 7.17,343 2.405,344 3.497,345 2.592,346 5.266,347 2.996,348 2.072,349 2.872,351 6.295,352 1.89,353 3.287,354 2.558,355 4.684,356 2.865,357 1.827,358 2.624,360 4.743,361 1.884,362 3.286,363 2.063,364 4.644,365 2.782,366 1.818,367 2.453,369 4.688,370 1.707,371 2.877,372 1.561,373 3.82,374 2.436,375 1.438,376 2.033,378 3.114,379 1.434,380 2.825,381 1.561,382 3.601,383 2.354,384 1.338,385 1.93,386 2.93,387 1.354,388 2.778,389 1.345,390 3.595,391 2.267,392 1.281,393 1.914,394 2.85,395 1.257,396 2.5,397 1.256,398 3.558,399 2,400 1,401 1.5,402 2.522,403 1,404 2.5,405 1.058,406 3.259,407 2,408 1,409 1.5,411 2.136,412 1,413 2.461,414 1,415 3.247,416 1.967,417 1,418 1.433,420 2.136,421 0.943,422 1.771,423 1,424 3.247,425 1.384,426 0.444,427 0.545,429 1.153,430 0.39,431 1.19,432 0.603,433 2.76,434 0.846,435 -0.105,436 -0.13,438 -0.263,439 -0.088,440 14.581,441 0.486,442 0.627,443 0.021,444 44,445 1.467,446 25.5,447 0.85,448 18.5,449 0.617,450 22.011,451 0.734,452 29.819,453 0.621,454 35.041,455 1.168,456 8.962,457 0.299,458 5.669,459 0.189,460 0.095,462 0.302,466 0.52,467 1.038,468 0.573,469 0.867,470 0.509,471 0.819,472 0.44,473 1.114,474 0.689,475 1.024,476 0.595,477 0.995,478 1.016,479 1.117,480 0.806,481 0.985,482 1.088,483 0.966,484 0.949,485 1.276,486 0.809,487 1.039,488 0.912,489 0.939,490 1.881,491 0.927,492 1.015,493 0.784,494 1.962,495 0.754,496 1.73,497 0.976,498 0.912,499 0.866,500 1.796,501 0.827,502 1.432,503 1.039,504 0.975,505 1.012,506 1.648,507 1.026,508 1.063,509 0.878,510 1.202,511 0.978,512 0.983,513 1.034,514 4.5,515 0.099,516 2.889,517 2.375,518 1.769,519 1.264,520 0.856,521 0.462,522 0.32,523 0.165,524 10811,525 31474,526 2.107,527 37.5,529 14,533 4,536 1.739,537 2,538 3.18,539 -0.792,545 76.226,546 1.588,547 2.947,548 3.433,549 4.127,550 4.46,551 4.502,552 2.606,553 3.736,554 4.877,555 3.375,556 1467.92,557 8.568,558 20186.2,560 1,563 268.078,564 1.295,565 4.851,566 0.136,567 0.004,568 0.064,569 0.049,570 0.037,571 0.026,572 0.017,573 0.009,574 0.007,575 0.005,576 0.355,577 0.17,578 0.88,579 0.496,580 151.063,581 0.047,582 -0.01,583 0.027,584 -0.01,585 -0.02,586 0.006,587 0.239,588 -0.092,589 0.015,590 -0.137,591 0.001,592 -0.125,593 -0.022,594 -0.102,595 0.034,596 -0.053,597 -0.085,598 -0.042,599 0.215,600 -0.253,601 0.14,602 -0.091,603 0.27,604 0.003,605 -0.185,606 0.176,607 -0.042,608 0.127,609 -0.131,610 0.107,611 -0.266,612 0.065,613 -0.061,614 0.043,615 -0.124,616 0.033,617 -0.092,618 -0.054,619 -0.09,620 -0.077,621 -0.08,622 -0.14,623 -0.181,624 0.089,625 -0.175,626 0.018,627 -0.137,628 -0.033,629 2.038,630 6.278,631 0.733,632 27.333,633 1.007,634 1.108,635 5.055,636 25.556,637 0.727,638 3.526,639 3.829,640 4.111,641 4.394,642 4.615,643 4.644,644 4.779,645 4.86,646 4.942,647 4.934,648 6.059,649 0.699,650 415.9,651 3.526,652 5.056,653 5.905,654 6.781,655 7.649,656 8.535,657 9.413,658 10.305,659 11.189,660 12.085,661 6.3,668 1,671 2,674 2,675 14,676 2,680 4,682 23,698 1,699 48,700 25,701 3,702 33,704 51,705 24,706 20,707 4,708 14,710 4,711 5,712 1,719 2,721 22,722 2,724 2,728 2,731 2,736 18,737 5,739 6,740 1,743 3,746 1,747 0.75,748 2,753 1,760 4,763 1,777 3,782 1,785 30,789 2,794 1,800 1,801 4.2,804 2,808 15,809 8.743,810 6.667,811 2.819,812 3.238,813 1.439,814 1.005,815 5.945,816 10.606,817 3.861,818 4.46,819 5.042,820 5.653,821 6.192,822 6.357,823 6.744,824 7.096,825 7.428,826 7.534,827 1,828 48,829 11.129,831 4.805,832 7.848,833 20.84,835 16.955,837 2.348,838 70.444,841 1,842 211.88,843 164.063,844 36.45,845 39.149,846 50.29,849 164.063,850 301.318,851 36.45,853 8.193,854 132.667,855 93.025,856 11.517,857 44.548,858 211.88,860 211.88,861 200.513,862 50.29,863 39.149,865 211.88,866 50.29,869 8.193,870 158.994,871 33.326,872 39.149,873 211.88,874 86.74,875 203.211,878 211.88,879 31.395,880 135.792,882 122.765,883 211.88,884 86.74,885 203.211,887 0.573,888 0.338,889 0.194,890 0.105,891 21,892 9,893 0.098,894 5,895 1,896 1.091,897 4.043,898 275.232,899 0.091,900 22,901 121.207,904 19.907,905 8.959,906 4.462,907 1.231,908 86.74,909 25.793,910 8.111,914 2.037,917 501.831,918 46.5,922 26.555,925 -0.743,926 48.353,927 53.179,928 0.284,929 0.528,930 0.615,931 0.739,932 0.799,933 0.806,934 5.067,935 1.438,936 5.872,937 4.688,938 4.511,939 5.147,940 2.726,941 6.681,942 4.463,943 6.27,944 1.338,945 7.424,946 3.114,947 4.007,948 4.832,949 2.221,950 7.603,951 3.899,952 7.567,953 1.281,954 9.084,955 2.93,956 6.084,957 7.346,958 3.814,959 10.759,960 5.981,961 8.901,962 1,963 10.812,964 2.85,965 6.447,966 7.891,967 3.922,968 12.583,969 6.274,970 10.27,971 1,972 12.587,973 2.522,974 7.968,975 9.854,976 5.08,977 15.259,978 7.794,979 11.663,980 1,981 14.394,982 2.136,983 8.748,984 10.853,985 5.473,986 17.448,987 8.506,988 13.078,989 0.444,990 16.225,991 2.136,992 10.04,993 12.564,994 6.427,995 19.968,996 9.784,997 3.261,998 -0.105,999 18.075,1000 1.153,1001 11.023,1002 13.811,1003 6.97,1004 22.307,1005 10.703,1006 2.88,1007 11.703,1008 19.939,1009 -0.263,1010 12.225,1011 15.405,1012 7.819,1013 24.776,1014 11.877,1015 2.562,1016 9.714,1017 21.814,1018 4.552,1019 13.303,1020 16.785,1021 8.446,1022 27.178,1023 12.898,1024 2.451,1025 7.297,1026 23.699,1027 3.576,1028 14.474,1029 18.328,1030 9.24,1031 29.633,1032 14.032,1033 2.072,1034 7.17,1035 25.591,1036 3.464,1037 15.598,1038 19.775,1039 9.915,1040 32.063,1041 15.103,1042 1.827,1043 6.295,1044 27.489,1045 3.338,1046 16.761,1047 21.298,1048 10.68,1049 34.514,1050 16.224,1051 1.818,1052 4.743,1053 29.392,1054 2.872,1055 17.907,1056 22.779,1057 11.382,1058 36.957,1059 17.32,1060 10285,1061 17736,1062 22.364,1063 34.875,1064 49.295,1065 51.107,1066 50.224,1067 48.833,1068 48.743,1069 67.468,1070 9.33,1071 136.901,1072 47.516,1073 5.547,1074 5.966,1075 6.747,1076 5.263,1077 5.261,1078 7.552,1079 3.647,1080 19.264,1081 5.125,1082 11.701,1083 1.494,1084 1.549,1085 1.522,1086 1.48,1087 1.477,1088 2.044,1089 0.283,1090 4.149,1091 1.44,1092 4.082,1093 4.109,1094 4.123,1095 4.003,1096 7.443,1097 4.008,1098 3.929,1099 3.957,1100 3.873,1101 3.868,1102 7.411,1103 3.862,1104 3.896,1105 3.926,1106 3.822,1107 3.84,1108 5.158,1109 3.832,1110 3.603,1111 3.633,1112 3.591,1113 3.407,1114 4.756,1115 3.439,1116 3.338,1117 3.392,1118 3.522,1119 3.18,1120 4.735,1121 3.187,1122 3.296,1123 3.332,1124 3.195,1125 3.139,1126 4.579,1127 3.142,1128 3.027,1129 3.07,1130 3.102,1131 2.936,1132 4.434,1133 2.927,1134 2.854,1135 2.925,1136 2.721,1137 2.735,1138 3.834,1139 2.715,1140 0.14,1141 0.12,1142 0.21,1143 0.128,1144 0.099,1145 4.635,1146 0.138,1147 3.966,1148 0.064,1149 6.945,1150 0.355,1151 4.22,1152 0.095,1153 3.261,1154 4.552,1155 2.113,1156 11.703,1157 3.125,1158 2.024,1159 2.002,1160 2.086,1161 2.12,1162 1.225,1163 2.11,1164 1.919,1165 1.892,1166 2.042,1167 2.005,1168 1.163,1169 2.018,1170 1.908,1171 1.88,1172 2.037,1173 1.988,1174 1.152,1175 2.006,1176 1.512,1177 1.478,1178 1.647,1179 1.725,1180 0.762,1181 1.699,1182 1.267,1183 1.225,1184 1.504,1185 1.463,1186 0.674,1187 1.471,1188 1.261,1189 1.215,1190 1.373,1191 1.46,1192 0.434,1193 1.446,1194 1.014,1195 0.974,1196 1.197,1197 1.15,1198 0.292,1199 1.174,1200 0.886,1201 0.821,1202 1.181,1203 1.062,1204 0.218,1205 1.107,1206 4.205,1208 5.509,1210 7.024,1212 8.635,1214 10.297,1217 6.19,1222 0.139,1227 1.131,1231 33.536,1232 76.226,1233 141.472,1234 164.775,1235 198.078,1236 214.078,1237 216.078,1238 61.893,1239 7.368,1240 63.16,1241 63.16,1242 24,1243 12.612,1244 4.7,1245 3.858,1246 46.456,1247 100,1248 118,1249 0.209,1250 210.065,1251 362.19,1252 504.319,1253 14272,1254 2.1,1255 20.924,1256 0.697,1257 0.56,1258 21.424,1259 16.789,1260 14.631,1261 0.443,1262 0.299,1263 9.43,1264 14.006,1265 9.192,1266 7.622,1267 14.92,1268 9.856,1269 12.842,1270 0.285,1271 0.159,1272 13.213,1273 7.166,1274 10.779,1275 0.18,1276 0.083,1277 11.138,1278 5.009,1279 9.404,1280 0.118,1281 0.044,1282 9.694,1283 3.499,1284 7.479,1285 0.075,1286 0.023,1287 7.753,1288 2.329,1289 0.317,1290 93.525,1291 0.211,1292 27.797,1293 0.61,1294 156,1295 470.61,1296 183.176,1297 492.505,1298 661.04,1299 458,1300 183,1301 462.823,1302 206.46,1303 480.002,1304 700.36,1305 452,1306 5} {0 CHEMBL2348740,1 1.657,2 8.81,3 3.353,4 11.24,5 84.198,6 9.023,7 0.739,8 3.612,9 3.714,10 3.344,11 3.258,12 4.828,13 3.239,14 4.067,15 4.194,16 3.705,17 3.616,18 5.283,19 3.575,20 4.316,21 4.492,22 3.778,23 3.7,24 5.494,25 3.64,26 4.287,27 4.493,28 3.693,29 3.564,30 5.5,31 3.498,32 4.17,33 4.371,34 3.54,35 3.368,36 5.495,37 3.335,38 3.981,39 4.169,40 3.281,41 3.239,42 5.261,43 3.193,44 3.839,45 4.014,46 3.289,47 3.196,48 5.147,49 3.139,50 3.77,51 3.965,52 3.076,53 3.188,54 4.846,55 3.089,56 0.056,57 0.465,58 4.369,59 2.564,60 6.139,61 3.041,62 0.15,63 0.712,64 8.303,65 4.303,66 14.765,67 5.31,68 0.241,69 0.886,70 14.103,71 5.843,72 32.518,73 6.969,74 0.224,75 0.855,76 16.241,77 5.877,78 29.758,79 7.302,80 0.348,81 0.753,82 16.091,83 4.687,84 41.34,85 5.144,86 0.238,87 0.601,88 13.023,89 4.14,90 33.639,91 4.447,92 0.228,93 0.523,94 9.772,95 3.69,96 35.976,97 4.16,98 0.143,99 0.496,100 10.58,101 3.624,102 19.161,103 4.449,104 5,105 31,106 0.303,107 0.572,108 0.666,109 0.791,110 0.855,111 0.866,112 3.103,113 0.895,114 -5.18,115 -5.07,116 -4.75,119 48.5,121 1,133 9,134 3,138 2,147 1,155 1,159 13,162 4,164 2,166 2,168 15,172 6,174 1,176 3,178 10,181 1,182 8,187 4,190 4,193 1,194 8,199 4,202 4,206 6,211 1,213 6,217 6,224 10,229 3,237 11,242 1,250 10,255 549,256 14.345,257 14.345,258 14.345,259 14.345,260 14.345,261 12.107,262 12.017,263 8.7,264 14.563,265 11.382,266 11.382,267 11.382,268 11.382,269 11.382,270 8.132,271 15.369,272 4.158,273 11.771,274 3.387,275 1.911,276 1.398,277 0.715,278 0.364,279 0.303,280 3.787,282 1,283 1,284 1,285 400,286 2.739,289 169.027,292 87.063,295 1.283,296 18.256,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 44.833,307 185,308 4.581,309 3.635,310 6.674,311 4.092,312 3.129,313 4.534,314 1.987,315 10.739,316 3.013,317 3.97,318 3.262,319 5.668,320 3.631,321 2.632,322 3.479,323 0.324,324 7.624,325 2.628,326 3.71,327 2.648,328 5.446,329 3.279,330 2.334,331 3.122,333 7.082,334 2.214,335 3.442,336 2.564,337 4.865,338 2.965,339 2.008,340 2.768,342 5.446,343 1.889,344 3.287,345 2.007,346 4.534,347 2.787,348 1.819,349 2.579,351 4.607,352 1.709,353 2.853,354 1.561,355 3.697,356 2.4,357 1.397,358 1.993,360 3.015,361 1.399,362 2.778,363 1.305,364 3.595,365 2.268,366 1.281,367 1.914,369 2.849,370 1.258,371 2.5,372 1.15,373 3.552,374 2,375 1,376 1.5,378 2.498,379 1,380 2.457,381 1,382 3.247,383 1.961,384 1,385 1.433,386 2.136,387 0.937,388 1.592,389 0.855,390 2.966,391 1.196,392 0.3,393 0.365,394 0.72,395 0.242,396 1.179,397 0.578,398 2.606,399 0.836,400 -0.163,401 -0.203,402 -0.399,403 -0.153,404 0.961,405 0.077,406 2.348,407 0.466,408 -0.493,409 -0.68,411 -1.199,412 -0.436,413 0.761,414 -0.467,415 2.066,416 0.274,417 -0.704,418 -0.999,420 -1.825,421 -0.65,422 0.543,423 -0.659,424 2,425 0.044,426 -0.904,427 -1.277,429 -2.178,430 -0.791,431 0.5,432 -0.752,433 1.555,434 0.013,435 -1,436 -1.43,438 -2.268,439 -1,440 10.248,441 0.488,442 0.435,443 0.021,444 31,445 1.476,446 18,447 0.857,448 13,449 0.619,450 12.734,451 0.606,452 20.952,453 0.635,454 20.294,455 0.966,456 6.32,457 0.301,458 3.917,459 0.187,460 0.102,462 0.293,466 0.574,467 0.971,468 0.548,469 0.792,470 0.537,471 0.768,472 0.444,473 1.119,474 0.652,475 1.03,476 0.564,477 0.997,478 0.959,479 1.095,480 0.793,481 0.974,482 1.096,483 0.988,484 0.963,485 1.253,486 0.89,487 1.036,488 0.839,489 0.98,490 1.606,491 0.983,492 1.142,493 0.931,494 1.63,495 0.906,496 1.798,497 0.883,498 1.186,499 0.929,500 1.991,501 0.931,502 1.155,503 0.937,504 0.829,505 0.907,506 1.429,507 0.93,508 0.974,509 0.834,510 1.214,511 0.961,512 0.784,513 1.012,514 3.5,515 0.041,516 2,517 1.438,518 1.018,519 0.5,520 0.365,521 0.165,522 0.107,523 0.078,524 4459,525 13804,526 2.102,527 36.4,529 9,532 1,533 2,536 1.631,537 2,538 3.14,539 -0.291,541 1,543 1,545 54.691,546 1.657,547 3.134,548 3.646,549 4.329,550 4.681,551 4.741,552 2.512,553 3.975,554 4.367,555 3.271,556 686.839,557 7.475,558 7310.79,559 1,560 1,561 1,562 1,563 166.465,564 1.268,565 4.338,566 0.152,567 0.006,568 0.065,569 0.046,570 0.038,571 0.022,572 0.019,573 0.009,574 0.007,575 0.006,576 0.369,577 0.67,578 1,579 0.532,580 94.844,581 0.03,582 0.088,583 0.013,584 0.036,585 -0.033,586 0.03,587 0.236,588 -0.103,589 0.017,590 -0.161,591 0.05,592 -0.144,593 -0.008,594 -0.104,595 0.031,596 -0.045,597 -0.095,598 -0.059,599 0.048,600 -0.264,601 0.096,602 -0.071,603 0.124,604 -0.001,605 -0.142,606 0.074,607 -0.085,608 0.008,609 -0.064,610 0.008,611 -0.356,612 0.106,613 -0.185,614 0.034,615 -0.248,616 0.003,617 0.02,618 0.019,619 0.05,620 0.052,621 0.022,622 0.015,623 -0.189,624 0.127,625 -0.191,626 0.027,627 -0.14,628 -0.017,629 1.803,630 5.099,631 0.762,632 14.721,633 1.011,634 1.113,635 3.952,636 15.616,637 0.731,638 3.178,639 3.466,640 3.714,641 3.97,642 4.174,643 4.094,644 4.159,645 4.174,646 4.22,647 4.111,648 5.353,649 0.704,650 297.76,651 3.178,652 4.691,653 5.525,654 6.389,655 7.241,656 8.11,657 8.969,658 9.841,659 10.705,660 11.579,661 9.1,668 1,671 2,674 2,675 9,676 2,680 3,682 17,698 1,699 33,700 18,701 2,702 23,704 35,705 16,706 14,707 3,708 9,710 3,711 4,712 1,719 1,721 15,722 1,724 1,728 1,731 1,732 1,733 1,736 12,737 4,738 1,739 5,740 1,743 3,747 0.667,748 1,753 1,760 3,763 1,766 1,777 2,782 1,785 21,789 1,790 1,800 1,801 3,804 1,808 10.5,809 5.96,810 4.667,811 1.891,812 3.229,813 1.482,814 1.007,815 3.912,816 9.926,817 3.512,818 4.127,819 4.718,820 5.332,821 5.89,822 6.029,823 6.37,824 6.679,825 6.996,826 6.873,827 0.833,828 31,829 7.709,831 3.256,832 7.839,833 14.486,835 11.638,837 2.339,838 49.111,842 129.482,843 106.257,844 51.337,845 39.149,846 25.145,849 106.257,850 193.776,851 51.337,853 20.545,854 85.286,855 63.176,856 8.332,857 44.548,858 129.482,860 129.482,861 157.593,862 25.145,863 39.149,865 129.482,866 25.145,869 20.545,870 103.722,871 33.326,872 39.149,873 129.482,874 76.482,875 145.405,878 129.482,879 20.97,880 85.286,881 18.011,882 97.62,883 129.482,884 76.482,885 145.405,887 0.571,888 0.331,889 0.187,890 0.103,891 15,892 6,893 0.086,894 3,895 1,896 1.125,897 3.393,898 158.101,899 0.125,900 16,901 88.239,904 13.686,905 6.002,906 3.075,907 1.545,908 76.482,909 16.974,910 7.842,914 1.698,916 18.011,917 351.369,918 32.5,922 12.099,925 -0.136,926 33.374,927 36.724,928 0.329,929 0.621,930 0.723,931 0.858,932 0.928,933 0.94,934 4.703,935 1,936 5.485,937 2.849,938 4.143,939 4.812,940 2.076,941 6.26,942 4.08,943 5.909,944 1,945 7.015,946 2.498,947 3.611,948 4.543,949 1.593,950 7.096,951 3.481,952 7.206,953 0.3,954 8.65,955 2.136,956 5.687,957 7.053,958 3.1,959 10.219,960 5.568,961 8.543,962 -0.163,963 10.35,964 0.72,965 5.994,966 7.654,967 3.168,968 11.944,969 5.81,970 9.912,971 -0.493,972 12.094,973 -0.399,974 7.523,975 9.613,976 4.312,977 14.577,978 7.345,979 11.307,980 -0.704,981 13.869,982 -1.199,983 8.249,984 10.668,985 4.654,986 16.677,987 8.011,988 12.724,989 -0.904,990 15.668,991 -1.825,992 9.54,993 12.376,994 5.601,995 19.143,996 9.295,997 3.129,998 -1,999 17.485,1000 -2.178,1001 10.476,1002 13.667,1003 6.091,1004 21.401,1005 10.177,1006 2.632,1007 10.739,1008 19.316,1009 -2.268,1010 11.665,1011 15.262,1012 6.927,1013 23.808,1014 11.347,1015 2.334,1016 7.624,1017 21.159,1018 4.534,1019 12.704,1020 16.669,1021 7.5,1022 26.132,1023 12.336,1024 2.008,1025 7.082,1026 23.011,1027 3.479,1028 13.854,1029 18.214,1030 8.273,1031 28.519,1032 13.457,1033 1.819,1034 5.446,1035 24.871,1036 3.122,1037 14.942,1038 19.677,1039 8.894,1040 30.871,1041 14.499,1042 1.397,1043 4.607,1044 26.737,1045 2.768,1046 16.079,1047 21.201,1048 9.631,1049 33.25,1050 15.601,1051 1.281,1052 3.015,1053 28.609,1054 2.579,1055 17.191,1056 22.689,1057 10.279,1058 35.614,1059 16.669,1060 4306,1061 7714,1062 15.603,1063 24.137,1064 34.078,1065 35.279,1066 34.572,1067 33.852,1068 33.8,1069 47.372,1070 4.622,1071 93.432,1072 32.576,1073 5.448,1074 5.635,1075 6.476,1076 5.133,1077 5.129,1078 7.534,1079 3.497,1080 17.911,1081 5.013,1082 7.711,1083 1.482,1084 1.534,1085 1.503,1086 1.472,1087 1.47,1088 2.06,1089 0.201,1090 4.062,1091 1.416,1092 4.067,1093 4.096,1094 4.114,1095 3.994,1096 7.429,1097 3.998,1098 3.913,1099 3.942,1100 3.845,1101 3.854,1102 5.165,1103 3.847,1104 3.52,1105 3.565,1106 3.557,1107 3.318,1108 4.746,1109 3.343,1110 3.334,1111 3.384,1112 3.452,1113 3.175,1114 4.581,1115 3.183,1116 3.051,1117 3.098,1118 3.118,1119 2.952,1120 4.457,1121 2.945,1122 2.854,1123 2.925,1124 2.699,1125 2.735,1126 3.885,1127 2.715,1128 2.805,1129 2.862,1130 2.687,1131 2.628,1132 3.707,1133 2.639,1134 2.506,1135 2.579,1136 2.669,1137 2.346,1138 3.674,1139 2.329,1140 0.199,1141 0.158,1142 0.29,1143 0.178,1144 0.136,1145 4.581,1146 0.197,1147 3.635,1148 0.086,1149 6.674,1150 0.467,1151 4.092,1152 0.131,1153 3.129,1154 4.534,1155 1.987,1156 10.739,1157 3.013,1158 2.02,1159 1.998,1160 2.083,1161 2.112,1162 1.212,1163 2.105,1164 1.914,1165 1.886,1166 2.04,1167 1.996,1168 1.158,1169 2.012,1170 1.438,1171 1.395,1172 1.606,1173 1.669,1174 0.716,1175 1.649,1176 1.261,1177 1.216,1178 1.391,1179 1.463,1180 0.438,1181 1.449,1182 1.03,1183 0.989,1184 1.205,1185 1.181,1186 0.293,1187 1.2,1188 0.886,1189 0.821,1190 1.181,1191 1.062,1192 0.218,1193 1.107,1194 0.766,1195 0.715,1196 1.008,1197 0.999,1198 0.04,1199 1.013,1200 0.467,1201 0.392,1202 0.837,1203 0.736,1205 0.78,1206 3.85,1208 5.142,1210 6.642,1212 8.241,1214 9.893,1217 6.009,1222 0.291,1223 2.789,1231 23.241,1232 54.691,1233 103.406,1234 120.326,1235 142.855,1236 154.465,1237 156.465,1238 30.696,1239 6.697,1240 54.88,1241 54.88,1242 18,1243 12.122,1244 4.248,1245 3.392,1246 32.215,1247 67,1248 65,1249 0.236,1250 148.433,1251 248.82,1252 353.937,1253 6758,1254 3,1255 14.656,1256 0.698,1257 0.564,1258 15.156,1259 11.84,1260 10.237,1261 0.445,1262 0.298,1263 6.457,1264 9.7,1265 6.29,1266 5.224,1267 10.526,1268 6.863,1269 9.007,1270 0.291,1271 0.16,1272 9.378,1273 4.954,1274 7.37,1275 0.184,1276 0.085,1277 7.728,1278 3.387,1279 6.283,1280 0.121,1281 0.045,1282 6.573,1283 2.324,1284 5.12,1285 0.08,1286 0.024,1287 5.412,1288 1.523,1289 0.366,1290 66.492,1291 0.253,1292 20.834,1293 0.656,1294 108,1295 331.562,1296 131.935,1297 357.539,1298 477.33,1299 332,1300 125,1301 329.215,1302 144.636,1303 344.762,1304 499.26,1305 324,1306 5} {0 CHEMBL2348741,1 1.734,2 5.833,3 0.076,4 0.006,5 62.808,6 8.457,7 0.316,8 3.485,9 3.594,10 3.141,11 2.992,12 4.778,13 3.013,14 3.963,15 4.118,16 3.514,17 3.325,18 5.297,19 3.34,20 4.165,21 4.307,22 3.628,23 3.435,24 5.59,25 3.477,26 4.174,27 4.31,28 3.674,29 3.422,30 5.776,31 3.461,32 4.274,33 4.45,34 3.463,35 3.381,36 5.707,37 3.378,38 4.178,39 4.399,40 3.133,41 3.228,42 5.481,43 3.168,44 3.931,45 4.167,46 2.67,47 2.83,48 5.519,49 2.699,50 3.373,51 3.685,52 0.976,53 1.97,54 4.443,55 1.695,56 0.105,57 0.444,58 4.451,59 2.347,60 10.374,61 2.708,62 0.29,63 0.661,64 9.082,65 3.711,66 23.055,67 4.762,68 0.45,69 0.761,70 11.739,71 3.993,72 66.241,73 4.377,74 0.416,75 0.776,76 10.908,77 4.089,78 62.824,79 4.917,80 0.595,81 0.774,82 14.352,83 4.279,84 73.965,85 4.978,86 0.44,87 0.637,88 14.795,89 4.793,90 63.323,91 6.061,92 0.474,93 0.431,94 12.666,95 4.222,96 94.435,97 5.706,98 0.316,99 0.201,100 9.197,101 2.265,102 59.899,103 3.178,104 31,105 27,106 0.333,107 0.653,108 0.711,109 0.75,110 0.777,111 0.79,112 2.963,113 0.838,114 -3.3,115 -3.29,116 -3.15,119 41.4,120 2,133 4,134 2,147 4,157 1,159 6,161 3,162 7,164 1,166 1,168 6,171 1,172 6,174 1,176 2,178 3,181 3,182 12,187 2,190 3,193 1,194 7,197 2,199 3,202 4,206 4,213 4,216 2,217 4,224 2,255 344,256 11.673,257 11.673,258 11.673,259 11.673,260 11.673,261 10.268,262 11.062,263 6.775,264 11.751,265 9.33,266 9.33,267 9.33,268 9.33,269 9.33,270 7.175,271 11.347,272 3.114,273 9.433,274 3.124,275 1.457,276 1.156,277 0.949,278 0.811,279 0.742,280 3.608,284 1,285 211,286 3.317,289 81.762,292 70.512,295 0.87,296 28.716,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 40.5,307 105,308 4.545,309 3.93,310 6.917,311 4.214,312 3.243,313 4.119,314 2.054,315 11.572,316 3.156,317 4.095,318 3.594,319 6.358,320 3.8,321 2.812,322 3.394,323 1.798,324 9.451,325 2.757,326 3.473,327 3.317,328 5.403,329 3.09,330 2.078,331 2.686,332 0.98,333 6.339,334 2.091,335 3.293,336 2.927,337 4.619,338 2.795,339 1.808,340 2.529,341 0.68,342 4.618,343 1.822,344 3.214,345 2.227,346 4.414,347 2.791,348 1.732,349 2.303,351 4,352 1.771,353 2.733,354 1.364,355 3.719,356 2.273,357 1.282,358 1.792,360 2.851,361 1.269,362 2.526,363 1.333,364 3.595,365 2.002,366 1,367 1.48,369 2.5,370 0.997,371 1.75,372 1.267,373 3.042,374 1.409,375 0.38,376 0.46,378 0.9,379 0.386,380 1.168,381 0.645,382 2.53,383 0.759,384 -0.276,385 -0.346,386 -0.679,387 -0.282,388 0.828,389 0.366,390 2.316,391 0.371,392 -0.603,393 -0.797,394 -1.577,395 -0.585,396 0.614,397 0.138,398 2,399 0.114,400 -0.901,401 -1.303,402 -2,403 -0.911,404 0.461,405 -0.418,406 1.821,407 0.099,408 -1,409 -1.329,411 -2,412 -1.09,413 0.386,414 -0.58,415 1.586,416 0.094,417 -1,418 -1.423,420 -2.168,421 -1.094,422 0.013,423 -0.971,424 1.423,425 -0.267,426 -1.272,427 -1.661,428 -0.152,429 -3.324,430 -1.266,431 -0.285,432 -1.203,433 1.205,434 -0.653,435 -1.653,436 -2,437 -0.754,438 -5.159,439 -1.632,440 8.2,441 0.456,442 0.566,443 0.031,444 23.5,445 1.306,446 12,447 0.667,448 11.5,449 0.639,450 11.868,451 0.659,452 19.4,453 0.669,454 17.547,455 0.975,456 5.038,457 0.28,458 3.481,459 0.193,460 0.244,462 0.415,466 0.601,467 1.267,468 0.659,469 1.08,470 0.539,471 0.918,472 0.473,473 1.092,474 0.578,475 0.936,476 0.553,477 0.819,478 1.313,479 0.994,480 0.982,481 0.808,482 1.262,483 0.793,484 0.864,485 1.445,486 0.863,487 1.237,488 0.759,489 1.079,490 1.346,491 0.947,492 1.336,493 0.972,494 1.328,495 1.101,496 1.15,497 0.814,498 1.171,499 1.047,500 1.111,501 1.093,502 0.765,503 0.946,504 1.078,505 1.254,506 0.861,507 1.283,508 1.475,509 0.472,510 1.349,511 0.656,512 1.692,513 0.946,514 3.5,516 2.444,517 2,518 1.227,519 0.75,520 0.488,521 0.111,524 2149,525 8120,526 1.931,527 37.9,529 4,532 1,533 6,536 1.598,537 1.742,538 2.611,539 -0.171,541 1,545 50.298,546 1.734,547 3.401,548 3.702,549 3.909,550 4.047,551 4.116,552 1.907,553 3.261,554 4.145,555 2.711,556 414.832,557 7.087,558 3897.77,560 1,563 140.881,564 1.572,565 4.056,566 0.184,568 0.091,569 0.067,570 0.041,571 0.033,572 0.031,573 0.014,576 0.459,577 0.67,578 1,579 1.329,580 73.712,581 -0.013,582 -0.073,583 0.028,584 -0.056,585 -0.054,586 -0.017,587 0.236,588 0.008,589 0.25,590 0.053,591 0.064,592 0.123,593 -0.255,594 0.084,595 -0.109,596 0.129,597 -0.21,598 0.068,599 0.086,600 -0.365,601 -0.016,602 -0.297,603 0.165,604 -0.208,605 -0.232,606 0.073,607 -0.383,608 -0.075,609 -0.23,610 -0.227,611 -0.181,612 0.063,613 -0.129,614 -0.07,615 -0.116,616 -0.067,617 0.286,618 -0.218,619 0.062,620 -0.232,621 0.311,622 -0.17,623 -0.245,624 0.112,625 0.005,626 0.322,627 -0.327,628 0.234,629 2.118,630 4.587,631 0.556,632 9.679,633 1.028,634 1.13,635 2.073,636 4.298,637 0.67,638 2.996,639 3.332,640 3.611,641 3.892,642 4.043,643 4.043,644 4.078,645 3.892,646 3.738,647 3.296,648 3.977,649 0.666,650 245.26,651 2.996,652 4.533,653 5.389,654 6.286,655 7.166,656 8.069,657 8.957,658 9.859,659 10.751,660 11.652,661 10.3,668 2,670 1,675 4,680 2,682 6,699 29,700 10,701 1,702 19,704 30,705 12,706 6,707 2,708 4,709 2,710 2,711 3,715 2,721 10,722 2,724 4,728 3,730 1,731 4,733 1,736 11,737 6,738 1,739 6,743 3,745 1,746 1,747 0.5,748 3,760 2,763 1,777 1,781 2,785 18,790 1,794 1,801 10.3,804 3,808 10.333,809 5.983,810 4,811 1.625,812 1.788,813 1.291,814 0.944,815 3.151,816 7.936,817 3.296,818 3.839,819 4.341,820 4.919,821 5.341,822 5.499,823 5.818,824 5.87,825 6.113,826 5.837,827 0.75,828 30,829 6.645,831 2.844,832 8.306,833 11.941,835 9.315,837 2.806,838 50.5,842 117.711,843 78.368,844 37.676,846 75.435,849 78.368,850 193.146,851 37.676,852 17.65,853 21.013,854 37.905,855 91.877,856 23.034,858 117.711,860 117.711,861 116.044,862 75.435,865 117.711,866 75.435,869 55.326,870 60.718,873 117.711,874 113.11,875 78.368,878 117.711,879 22.813,880 58.68,881 17.888,882 92.098,883 117.711,884 113.11,885 78.368,887 0.588,888 0.352,889 0.203,890 0.101,891 13,892 7,893 0.033,894 1,895 1,896 1.2,897 2.811,898 130.362,899 0.2,900 10,901 69.059,904 12.305,905 4.609,906 2.149,908 113.11,909 6.669,914 0.849,916 17.888,917 309.19,918 26,922 34.562,924 3.796,925 -1.119,926 29.822,927 32.784,928 0.357,929 0.7,930 0.762,931 0.805,932 0.833,933 0.847,934 4.538,935 0.38,936 5.407,937 2.5,938 4.007,939 4.522,940 2.776,941 6.279,942 3.985,943 5.76,944 -0.276,945 7.013,946 0.9,947 3.761,948 4.407,949 2.221,950 7.368,951 3.73,952 7.08,953 -0.603,954 8.727,955 -0.679,956 5.645,957 6.634,958 3.689,959 10.499,960 5.571,961 8.434,962 -0.901,963 10.503,964 -1.577,965 6.196,966 7.288,967 3.8,968 12.41,969 6.101,970 9.819,971 -1,972 12.318,973 -2,974 7.618,975 9.055,976 4.852,977 15.078,978 7.485,979 11.226,980 -1,981 14.16,982 -2,983 8.52,984 10.079,985 5.264,986 17.302,987 8.359,988 12.652,989 -1.272,990 16.02,991 -2.168,992 9.771,993 11.657,994 6.133,995 19.817,996 9.578,997 3.243,998 -1.653,999 17.893,1000 -3.324,1001 10.823,1002 12.867,1003 6.688,1004 22.165,1005 10.6,1006 2.812,1007 11.572,1008 19.777,1009 -5.159,1010 12.012,1011 14.358,1012 7.47,1013 24.628,1014 11.76,1015 2.078,1016 9.451,1017 21.668,1018 4.119,1019 13.127,1020 15.663,1021 8.098,1022 27.028,1023 12.846,1024 1.808,1025 6.339,1026 23.565,1027 3.394,1028 14.296,1029 17.113,1030 8.84,1031 29.474,1032 13.987,1033 1.732,1034 4.618,1035 25.467,1036 2.686,1037 15.438,1038 18.468,1039 9.506,1040 31.897,1041 15.1,1042 1.282,1043 4,1044 27.372,1045 2.529,1046 16.602,1047 19.898,1048 10.229,1049 34.34,1050 16.236,1051 1,1052 2.851,1053 29.281,1054 2.303,1055 17.757,1056 21.28,1057 10.916,1058 36.774,1059 17.363,1060 2295,1061 4537,1062 11.849,1063 19.426,1064 29.365,1065 30.728,1066 30.66,1067 28.662,1068 28.67,1069 37.526,1070 11.024,1071 84.461,1072 28.497,1073 5.401,1074 5.93,1075 6.597,1076 5.252,1077 5.243,1078 7.119,1079 3.498,1080 19.079,1081 5.156,1082 10.785,1083 1.546,1084 1.617,1085 1.614,1086 1.509,1087 1.509,1088 1.975,1089 0.58,1090 4.445,1091 1.5,1092 4.001,1093 4.03,1094 3.967,1095 3.908,1096 7.445,1097 3.916,1098 3.681,1099 3.717,1100 3.623,1101 3.46,1102 7.429,1103 3.495,1104 3.376,1105 3.434,1106 3.307,1107 3.134,1108 7.412,1109 3.168,1110 3.339,1111 3.395,1112 3.195,1113 3.117,1114 4.822,1115 3.12,1116 3.035,1117 3.077,1118 2.964,1119 2.877,1120 4.475,1121 2.886,1122 2.682,1123 2.77,1124 2.506,1125 2.443,1126 3.868,1127 2.453,1128 2.569,1129 2.654,1130 2.455,1131 2.341,1132 3.704,1133 2.365,1134 2.489,1135 2.53,1136 2.269,1137 2.109,1138 3.658,1139 2.149,1140 0.239,1141 0.207,1142 0.364,1143 0.222,1144 0.171,1145 4.545,1146 0.217,1147 3.93,1148 0.108,1149 6.917,1150 0.609,1151 4.214,1152 0.166,1153 3.243,1154 4.119,1155 2.054,1156 11.572,1157 3.156,1158 1.948,1159 1.925,1160 2.029,1161 2.064,1162 1.134,1163 2.049,1164 1.582,1165 1.54,1166 1.772,1167 1.821,1168 0.794,1169 1.802,1170 1.307,1171 1.243,1172 1.639,1173 1.564,1174 0.667,1175 1.587,1176 1.265,1177 1.215,1178 1.414,1179 1.548,1180 0.397,1181 1.514,1182 0.988,1183 0.945,1184 1.192,1185 1.191,1186 0.248,1187 1.187,1188 0.641,1189 0.564,1190 0.906,1191 0.947,1193 0.96,1194 0.518,1195 0.435,1196 0.802,1197 0.784,1199 0.795,1200 0.319,1201 0.271,1202 0.455,1203 0.711,1205 0.642,1206 3.664,1208 4.99,1210 6.532,1212 8.181,1214 9.884,1216 2.534,1223 2.281,1227 0.929,1231 19.316,1232 50.298,1233 98.617,1234 107.372,1235 113.372,1236 117.372,1237 119.372,1238 41.003,1239 6.148,1240 83.13,1241 83.13,1242 12,1243 12.175,1244 3.459,1245 3,1246 30.57,1247 42,1248 34,1249 0.377,1250 122.972,1251 221.43,1252 291.811,1253 2794,1255 13.284,1256 0.738,1257 0.552,1258 13.284,1259 9.929,1260 8.52,1261 0.448,1262 0.279,1263 5.213,1264 8.078,1265 5.035,1266 4.207,1267 8.52,1268 5.308,1269 7.896,1270 0.292,1271 0.141,1272 7.896,1273 3.795,1274 6.145,1275 0.171,1276 0.07,1277 6.145,1278 2.518,1279 5.546,1280 0.116,1281 0.037,1282 5.546,1283 1.791,1284 3.994,1285 0.071,1286 0.019,1287 3.994,1288 1.051,1289 0.547,1290 54.259,1291 0.291,1292 17.33,1293 1.188,1294 92,1295 352.83,1296 105.221,1297 334.116,1298 440.61,1299 308,1300 109,1301 315.586,1302 121.476,1303 314.345,1304 458.27,1305 295,1306 5} {0 CHEMBL2348742,1 1.596,2 6.636,3 2.335,4 5.452,5 81.211,6 7.351,7 0.261,8 3.788,9 3.913,10 3.325,11 3.295,12 4.955,13 3.275,14 4.321,15 4.507,16 3.705,17 3.67,18 5.448,19 3.632,20 4.587,21 4.776,22 3.89,23 3.798,24 5.873,25 3.781,26 4.696,27 4.907,28 3.9,29 3.764,30 6.096,31 3.776,32 4.558,33 4.708,34 3.92,35 3.832,36 5.942,37 3.825,38 4.765,39 4.949,40 3.77,41 3.915,42 6.056,43 3.858,44 4.796,45 5.038,46 3.445,47 3.894,48 5.99,49 3.717,50 4.765,51 5.118,52 2.726,53 3.557,54 5.544,55 3.246,56 0.059,57 0.598,58 8.308,59 3.693,60 8.229,61 4.898,62 0.266,63 0.921,64 15.876,65 6.035,66 29.943,67 8.51,68 0.288,69 1.12,70 21.469,71 7.123,72 46.129,73 10.028,74 0.77,75 1.146,76 26.266,77 6.198,78 128.348,79 8.985,80 0.379,81 1.12,82 20.151,83 6.714,84 47.725,85 9.094,86 0.6,87 1.24,88 26.779,89 8.096,90 110.746,91 10.733,92 0.537,93 1.235,94 27.961,95 9.948,96 107.201,97 14.286,98 0.411,99 0.969,100 30.91,101 9.975,102 74.749,103 15.503,104 59,105 33,106 0.284,107 0.572,108 0.646,109 0.672,110 0.689,111 0.698,112 3.148,113 0.938,114 -4.34,115 -4.28,116 -4.04,119 39,120 4,122 2,133 4,134 2,147 4,157 1,159 10,161 3,162 7,164 1,166 1,168 8,171 1,172 14,174 1,176 2,178 3,181 3,182 12,187 2,190 3,193 1,194 15,197 2,199 3,202 12,206 4,211 4,213 16,216 2,217 4,224 10,229 4,237 4,255 616,256 14.088,257 14.088,258 14.088,259 14.088,260 14.088,261 12.836,262 15.912,263 8.071,264 14.187,265 11.244,266 11.244,267 11.244,268 11.244,269 11.244,270 9.139,271 17.187,272 3.718,273 11.349,274 3.761,275 2.148,276 1.732,277 1.586,278 1.488,279 1.44,280 3.797,283 1,284 1,285 291,286 4.123,289 109.089,292 93.9,295 0.975,296 33.594,297 1,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 48.5,307 146,308 4.565,309 4.031,310 7.006,311 4.259,312 3.289,313 4.123,314 2.054,315 11.882,316 3.192,317 4.202,318 3.602,319 6.492,320 3.927,321 2.927,322 3.506,323 1.798,324 9.954,325 2.916,326 3.655,327 3.508,328 5.686,329 3.468,330 2.446,331 2.791,332 0.98,333 7.011,334 2.491,335 3.552,336 2.959,337 5.597,338 3.202,339 2.204,340 2.763,341 0.68,342 6.924,343 2.19,344 3.326,345 2.242,346 4.855,347 2.882,348 1.894,349 2.577,351 4.992,352 1.862,353 2.744,354 1.792,355 4.327,356 2.414,357 1.429,358 1.815,360 3.629,361 1.405,362 2.582,363 1.771,364 3.641,365 2.259,366 1.271,367 1.584,369 2.845,370 1.253,371 2.449,372 1.364,373 3.595,374 1.952,375 0.948,376 1.355,378 2.336,379 0.947,380 2.211,381 1.332,382 3.335,383 1.863,384 0.797,385 1,386 1.752,387 0.839,388 1.68,389 1.267,390 2.904,391 1.284,392 0.228,393 0.289,394 0.528,395 0.238,396 1.166,397 0.613,398 2.456,399 0.715,400 -0.346,401 -0.469,402 -0.84,403 -0.363,404 0.828,405 -0.391,406 2.291,407 0.369,408 -0.611,409 -0.825,411 -1.59,412 -0.595,413 0.614,414 -0.418,415 2,416 0.114,417 -0.901,418 -1,420 -2,421 -0.912,422 0.094,423 -0.466,424 1.863,426 -1,427 -1,429 -2,430 -1,432 -0.802,433 1.729,435 -1,436 -1.356,438 -2.168,439 -1,440 10.2,441 0.464,442 0.745,443 0.034,444 25.5,445 1.159,446 12,447 0.545,448 13.5,449 0.614,450 20.014,451 0.91,452 24.6,453 0.6,454 20.445,455 0.929,456 4.87,457 0.221,458 5.471,459 0.249,460 0.294,462 0.431,466 0.578,467 1.324,468 0.783,469 1.18,470 0.541,471 1.044,472 0.432,473 1.09,474 0.657,475 0.982,476 0.538,477 0.886,478 0.958,479 1.338,480 0.808,481 1.148,482 0.946,483 0.98,484 1.65,485 0.809,486 1.009,487 0.578,488 1.524,489 0.633,490 1.162,491 1.3,492 1.04,493 1.193,494 1.152,495 1.101,496 1.755,497 0.973,498 1.46,499 1.041,500 1.716,501 1.162,502 0.656,503 1.096,504 1.263,505 1.34,506 0.589,507 1.408,508 0.416,509 0.753,510 0.744,511 0.916,512 0.477,513 0.911,514 4.5,516 3.333,517 2,518 1.867,519 1.194,520 0.733,521 0.424,522 0.082,524 3633,525 10828,526 1.894,527 46.3,528 12,529 4,532 1,533 2,536 1.658,537 1.692,538 2.762,539 -0.265,540 1,541 1,543 1,545 65.439,546 1.596,547 3.21,548 3.625,549 3.772,550 3.869,551 3.918,552 2.117,553 3.443,554 4.434,555 2.891,556 667.835,557 7.682,558 7267.06,559 1,560 1,562 1,563 219.66,564 1.564,565 4.332,566 0.196,568 0.101,569 0.053,570 0.049,571 0.031,572 0.023,573 0.021,574 0.01,576 0.483,577 0.33,578 1,579 1.56,580 97.595,581 0.02,582 -0.062,583 0.033,584 -0.047,585 -0.043,586 -0.016,587 0.258,588 0.035,589 0.233,590 0.074,591 0.062,592 0.128,593 0.031,594 -0.274,595 0.14,596 -0.147,597 0.016,598 -0.012,599 -0.155,600 0.223,601 0.051,602 0.289,603 -0.058,604 0.231,605 -0.027,606 -0.149,607 -0.105,608 -0.186,609 -0.025,610 -0.165,611 -0.424,612 0.074,613 -0.472,614 -0.08,615 -0.306,616 -0.248,617 0.075,618 -0.139,619 -0.331,620 -0.33,621 0.126,622 -0.394,623 0.157,624 -0.045,625 0.266,626 0.04,627 0.107,628 0.153,629 2.02,630 5.491,631 0.455,632 13.273,633 1.009,634 1.133,635 3.114,636 9.697,637 0.646,638 3.178,639 3.526,640 3.807,641 4.043,642 4.29,643 4.29,644 4.317,645 4.29,646 4.127,647 3.761,648 4.522,649 0.62,650 301.38,651 3.178,652 4.727,653 5.587,654 6.482,655 7.372,656 8.273,657 9.173,658 10.076,659 10.979,660 11.884,661 7.3,668 2,670 1,675 4,680 2,682 6,699 41,700 10,701 1,702 23,704 42,705 16,706 6,707 2,708 4,709 2,710 2,711 3,715 4,721 10,722 6,723 2,724 4,728 3,730 1,731 4,732 1,733 1,736 19,737 6,738 1,739 6,743 3,745 1,746 1,747 0.5,748 3,760 2,763 1,777 1,781 4,785 22,790 1,793 2,794 1,801 7.3,804 3,808 13,809 8.65,810 4.889,811 2.625,812 1.705,813 1.264,814 0.915,815 4.65,816 8.176,817 3.434,818 3.961,819 4.486,820 4.976,821 5.45,822 5.592,823 5.909,824 6.048,825 6.258,826 6.086,827 1,828 38,829 8.208,831 3.521,832 8.098,833 15.087,835 12.01,837 2.598,838 57.167,842 211.88,843 96.019,844 37.676,846 75.435,849 96.019,850 287.315,851 37.676,852 35.301,853 21.013,854 37.905,855 91.877,856 23.034,858 211.88,860 211.88,861 133.694,862 75.435,865 211.88,866 75.435,869 72.976,870 60.718,873 211.88,874 113.11,875 96.019,878 211.88,879 22.813,880 76.33,881 17.888,882 92.098,883 211.88,884 113.11,885 96.019,887 0.593,888 0.358,889 0.184,890 0.11,891 15,892 9,893 0.071,894 3,895 1,896 1.2,897 3.082,898 174.56,899 0.2,900 10,901 84.107,904 16.219,905 6.307,906 3.063,908 113.11,909 6.781,914 0.875,916 17.888,917 421.009,918 30,922 36.837,924 3.96,925 -0.868,926 41.356,927 46.445,928 0.298,929 0.599,930 0.677,931 0.704,932 0.722,933 0.731,934 4.696,935 0.948,936 5.617,937 2.845,938 4.205,939 4.644,940 2.776,941 6.494,942 4.186,943 5.911,944 0.797,945 7.235,946 2.336,947 4.007,948 4.543,949 2.221,950 7.585,951 3.983,952 7.23,953 0.228,954 8.958,955 1.752,956 5.861,957 6.738,958 3.689,959 10.725,960 5.806,961 8.584,962 -0.346,963 10.74,964 0.528,965 6.447,966 7.416,967 3.8,968 12.625,969 6.382,970 9.971,971 -0.611,972 12.558,973 -0.84,974 7.844,975 9.15,976 4.852,977 15.319,978 7.746,979 11.38,980 -0.901,981 14.4,982 -1.59,983 8.762,984 10.185,985 5.264,986 17.543,987 8.644,988 12.808,989 -1,990 16.26,991 -2,992 10.002,993 11.739,994 6.133,995 20.085,996 9.851,997 3.289,998 -1,999 18.134,1000 -2,1001 11.062,1002 12.951,1003 6.688,1004 22.445,1005 10.885,1006 2.927,1007 11.882,1008 20.018,1009 -2.168,1010 12.249,1011 14.428,1012 7.47,1013 24.933,1014 12.04,1015 2.446,1016 9.954,1017 21.91,1018 4.123,1019 13.371,1020 15.732,1021 8.098,1022 27.352,1023 13.132,1024 2.204,1025 7.011,1026 23.81,1027 3.506,1028 14.544,1029 17.172,1030 8.84,1031 29.823,1032 14.273,1033 1.894,1034 6.924,1035 25.715,1036 2.791,1037 15.695,1038 18.525,1039 9.506,1040 32.268,1041 15.391,1042 1.429,1043 4.992,1044 27.625,1045 2.763,1046 16.866,1047 19.95,1048 10.229,1049 34.734,1050 16.529,1051 1.271,1052 3.629,1053 29.539,1054 2.577,1055 18.03,1056 21.329,1057 10.916,1058 37.192,1059 17.661,1060 3859,1061 6781,1062 14.046,1063 26.472,1064 35.847,1065 38.384,1066 37.483,1067 34.933,1068 34.865,1069 43.605,1070 11.024,1071 103.707,1072 34.664,1073 5.447,1074 6.031,1075 6.685,1076 5.299,1077 5.289,1078 7.123,1079 3.498,1080 19.498,1081 5.192,1082 14.698,1083 1.559,1084 1.669,1085 1.63,1086 1.519,1087 1.516,1088 1.896,1089 0.479,1090 4.509,1091 1.507,1092 4.009,1093 4.039,1094 3.974,1095 3.912,1096 7.443,1097 3.92,1098 3.782,1099 3.819,1100 3.706,1101 3.625,1102 7.429,1103 3.635,1104 3.625,1105 3.685,1106 3.477,1107 3.483,1108 7.411,1109 3.471,1110 3.407,1111 3.474,1112 3.327,1113 3.182,1114 4.822,1115 3.21,1116 3.205,1117 3.25,1118 3.102,1119 2.972,1120 4.475,1121 3,1122 2.914,1123 3.009,1124 2.811,1125 2.712,1126 4.159,1127 2.726,1128 2.874,1129 3.009,1130 2.634,1131 2.618,1132 4.117,1133 2.57,1134 2.874,1135 2.956,1136 2.499,1137 2.618,1138 3.683,1139 2.57,1140 0.198,1141 0.175,1142 0.305,1143 0.185,1144 0.143,1145 4.565,1146 0.179,1147 4.031,1148 0.089,1149 7.006,1150 0.517,1151 4.259,1152 0.139,1153 3.289,1154 4.123,1155 2.054,1156 11.882,1157 3.192,1158 1.95,1159 1.927,1160 2.034,1161 2.07,1162 1.171,1163 2.054,1164 1.734,1165 1.69,1166 1.945,1167 1.913,1168 1.108,1169 1.921,1170 1.634,1171 1.575,1172 1.906,1173 1.816,1174 1.1,1175 1.849,1176 1.315,1177 1.257,1178 1.45,1179 1.58,1180 0.469,1181 1.554,1182 1.094,1183 1.057,1184 1.417,1185 1.385,1186 0.469,1187 1.341,1188 0.934,1189 0.812,1190 1.417,1191 1.239,1192 0.449,1193 1.308,1194 0.934,1195 0.804,1196 1.241,1197 1.239,1198 0.262,1199 1.308,1200 0.861,1201 0.804,1202 1.096,1203 1.082,1204 0.109,1205 1.089,1206 3.85,1208 5.187,1210 6.732,1212 8.375,1214 10.074,1216 6.876,1223 2.359,1226 -0.731,1227 1.077,1231 25.423,1232 65.439,1233 131.602,1234 148.64,1235 154.64,1236 158.64,1237 160.64,1238 65.977,1239 6.471,1240 83.13,1241 83.13,1242 12,1243 12.403,1244 3.459,1245 3,1246 41.578,1247 58,1248 50,1249 0.362,1250 161.341,1251 290.63,1252 385.432,1253 4166,1255 16.439,1256 0.747,1257 0.595,1258 16.439,1259 13.083,1260 10.341,1261 0.45,1262 0.313,1263 7.1,1264 9.936,1265 6.782,1266 5.755,1267 10.341,1268 7.195,1269 9.614,1270 0.291,1271 0.174,1272 9.614,1273 5.743,1274 7.923,1275 0.18,1276 0.075,1277 7.923,1278 3.316,1279 5.935,1280 0.106,1281 0.038,1282 5.935,1283 2.104,1284 5.064,1285 0.07,1286 0.021,1287 5.064,1288 1.478,1289 0.53,1290 65.187,1291 0.267,1292 20.774,1293 1.128,1294 112,1295 372.83,1296 125.221,1297 355.979,1298 473.61,1299 328,1300 133,1301 343.586,1302 147.471,1303 344.63,1304 506.35,1305 323,1306 5} {0 CHEMBL2348743,1 1.571,2 8.737,3 2.122,4 4.502,5 71.672,6 7.204,7 0.3,8 3.662,9 3.795,10 3.184,11 3.177,12 4.784,13 3.152,14 4.183,15 4.369,16 3.491,17 3.535,18 5.29,19 3.473,20 4.451,21 4.687,22 3.553,23 3.61,24 5.558,25 3.541,26 4.39,27 4.629,28 3.472,29 3.481,30 5.548,31 3.426,32 4.307,33 4.552,34 3.323,35 3.351,36 5.5,37 3.291,38 4.16,39 4.394,40 3.105,41 3.216,42 5.351,43 3.151,44 4.018,45 4.241,46 2.932,47 3.121,48 5.309,49 3.026,50 3.917,51 4.175,52 2.662,53 3.051,54 4.813,55 2.899,56 0.053,57 0.533,58 7.576,59 3.215,60 6.721,61 4.36,62 0.176,63 0.809,64 13.846,65 5.384,66 21.535,67 7.644,68 0.283,69 0.935,70 19.762,71 6.386,72 46.564,73 9.366,74 0.268,75 0.868,76 18.761,77 5.32,78 43.671,79 8.141,80 0.355,81 0.766,82 17.667,83 4.684,84 48.642,85 7.159,86 0.268,87 0.637,88 15.23,89 4.254,90 44.84,91 6.121,92 0.313,93 0.561,94 13.047,95 3.924,96 62.846,97 5.601,98 0.15,99 0.517,100 11.636,101 3.975,102 26.536,103 5.83,104 16,105 26,106 0.29,107 0.621,108 0.777,109 0.857,110 0.877,111 0.887,112 3.01,113 0.974,114 -4.28,115 -4.22,116 -3.99,119 38.9,120 1,121 4,133 4,134 2,147 3,157 1,159 10,162 3,164 3,166 3,168 9,171 1,172 5,175 1,176 5,178 5,181 1,182 7,187 5,190 2,194 6,197 2,199 4,202 3,206 4,211 2,213 5,216 1,217 3,222 1,224 6,229 2,234 1,237 6,242 1,247 1,250 5,255 456,256 12.905,257 12.905,258 12.905,259 12.905,260 12.905,261 11.686,262 10.345,263 8.021,264 12.98,265 9.847,266 9.847,267 9.847,268 9.847,269 9.847,270 7.929,271 10.453,272 3.774,273 9.926,274 3.598,275 1.8,276 0.952,277 0.521,278 0.41,279 0.354,280 3.669,283 1,284 1,285 343,286 3.162,289 92.776,292 79.701,295 1.357,296 21.236,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 41.5,307 166,308 4.478,309 3.655,310 6.674,311 4.118,312 3.128,313 4.088,314 1.909,315 10.739,316 3.097,317 3.782,318 3.559,319 5.65,320 3.46,321 2.465,322 3.038,323 0.98,324 7.422,325 2.442,326 3.474,327 2.938,328 5.017,329 3.122,330 2.108,331 2.667,332 0.635,333 5.854,334 2.125,335 3.311,336 2.201,337 4.587,338 2.84,339 1.857,340 2.545,342 4.707,343 1.819,344 2.735,345 1.694,346 3.717,347 2.573,348 1.568,349 1.799,351 3.045,352 1.572,353 2.624,354 1.342,355 3.595,356 2.274,357 1.283,358 1.618,360 2.848,361 1.27,362 2.523,363 1.269,364 3.533,365 2.009,366 1.013,367 1.479,369 2.499,370 1.006,371 1.773,372 1.037,373 2.967,374 1.704,375 0.701,376 0.731,378 1.229,379 0.701,380 1.558,381 0.945,382 2.627,383 1.275,384 0.249,385 0.294,386 0.54,387 0.253,388 0.944,389 0.415,390 2.357,391 0.667,392 -0.34,393 -0.362,394 -0.579,395 -0.34,396 0.794,397 0.026,398 2.137,399 0.524,400 -0.51,401 -0.659,402 -1.198,403 -0.519,404 0.735,405 -0.418,406 2,407 0.277,408 -0.711,409 -0.955,411 -1.826,412 -0.701,413 0.611,414 -0.577,415 1.547,416 0.111,417 -0.904,418 -1.355,420 -2.179,421 -0.916,422 0.063,423 -0.872,424 1.423,425 -0.191,426 -1.23,427 -1.422,429 -2.456,430 -1.282,431 -0.178,432 -1.054,433 1.228,434 -0.325,435 -1.327,436 -1.696,438 -3.278,439 -1.318,440 8.867,441 0.467,442 0.366,443 0.019,444 22,445 1.158,446 10.5,447 0.553,448 11.5,449 0.605,450 14.382,451 0.757,452 21.133,453 0.587,454 14.676,455 0.772,456 4.253,457 0.224,458 4.967,459 0.261,460 0.132,462 0.282,466 0.629,467 1.199,468 0.82,469 1.099,470 0.522,471 1.002,472 0.45,473 1.217,474 0.832,475 1.181,476 0.506,477 1.094,478 0.896,479 1.035,480 0.823,481 0.941,482 0.929,483 0.885,484 1.087,485 1.173,486 0.906,487 0.988,488 0.991,489 0.918,490 1.26,491 0.96,492 1.015,493 0.877,494 1.237,495 0.888,496 1.643,497 0.878,498 1.161,499 0.89,500 1.636,501 0.928,502 1.337,503 0.899,504 1.24,505 0.981,506 1.316,507 1.075,508 0.874,509 0.971,510 1.113,511 1.073,512 0.861,513 1.128,514 3,515 0.049,516 2,517 1.25,518 0.947,519 0.493,520 0.264,521 0.146,522 0.09,523 0.071,524 3050,525 8094,526 1.995,527 47.2,528 9,529 4,532 2,533 2,536 1.602,537 1.869,538 3.091,539 0.393,541 1,542 1,543 1,545 56.573,546 1.571,547 3.37,548 4.218,549 4.649,550 4.76,551 4.816,552 2.55,553 4.143,554 4.212,555 3.228,556 552.009,557 7.177,558 5454.45,559 1,560 1,562 1,563 186.117,564 1.384,565 4.178,566 0.15,567 0.01,568 0.077,569 0.046,570 0.039,571 0.025,572 0.017,573 0.011,574 0.009,575 0.009,576 0.393,577 0.33,578 1,579 1.985,580 82.804,581 0.011,582 0.065,583 0.024,584 0.021,585 -0.013,586 0.022,587 0.233,588 -0.099,589 0.056,590 -0.114,591 0.094,592 -0.077,593 0.054,594 -0.054,595 0.147,596 0.039,597 0.014,598 0.094,599 -0.019,600 -0.179,601 0.088,602 -0.06,603 0.019,604 0.021,605 -0.027,606 0.022,607 0.008,608 0.018,609 -0.038,610 0.023,611 -0.28,612 0.076,613 -0.134,614 0.029,615 -0.175,616 -0.01,617 -0.062,618 0.066,619 -0.238,620 -0.03,621 0.068,622 -0.138,623 -0.111,624 -0.035,625 -0.168,626 -0.077,627 -0.105,628 -0.125,629 1.917,630 4.773,631 0.526,632 14.105,633 1.004,634 1.134,635 3.054,636 9.329,637 0.646,638 3.045,639 3.296,640 3.526,641 3.761,642 3.97,643 3.932,644 3.951,645 3.912,646 3.892,647 3.584,648 5.126,649 0.616,650 259.34,651 3.045,652 4.533,653 5.352,654 6.205,655 7.054,656 7.92,657 8.782,658 9.654,659 10.524,660 11.4,661 8.3,668 2,670 1,675 4,680 2,682 6,699 36,700 9,701 1,702 20,704 37,705 14,706 6,707 2,708 4,709 2,710 2,711 3,715 1,719 4,721 9,722 5,724 3,728 2,730 1,731 3,732 1,733 1,736 17,737 5,738 2,739 5,743 3,745 1,747 0.5,748 2,760 2,763 1,766 1,777 1,781 1,785 19,789 4,790 2,801 5.6,804 2,808 10.167,809 6.617,810 4.417,811 2.433,812 1.7,813 1.273,814 0.948,815 4.558,816 7.937,817 3.296,818 3.773,819 4.259,820 4.786,821 5.267,822 5.371,823 5.649,824 5.738,825 6.006,826 5.715,827 0.833,828 27,829 7.032,831 2.914,832 7.939,833 13.273,835 10.473,837 2.439,838 46.333,839 0.001,842 176.567,843 74.977,844 52.562,846 50.29,849 74.977,850 226.856,851 52.562,852 8.825,853 46.037,854 37.905,855 62.027,856 23.034,858 176.567,860 176.567,861 127.539,862 50.29,865 176.567,866 50.29,869 71.525,870 56.013,873 176.567,874 102.852,875 74.977,878 176.567,879 28.246,880 46.73,881 35.899,882 66.953,883 176.567,884 102.852,885 74.977,887 0.556,888 0.319,889 0.175,890 0.098,891 11,892 5,893 0.135,894 5,895 1,896 1.2,897 3.141,898 130.181,899 0.2,900 10,901 80.711,904 13.597,905 6.369,906 3.341,908 102.852,909 7.086,914 1.191,916 35.899,917 354.395,918 26,922 23.37,924 3.905,925 0.092,926 36.145,927 40.82,928 0.304,929 0.652,930 0.816,931 0.899,932 0.921,933 0.931,934 4.494,935 0.701,936 5.303,937 2.499,938 3.97,939 4.454,940 2.271,941 6.075,942 3.954,943 5.66,944 0.249,945 6.834,946 1.229,947 3.434,948 4.159,949 1.593,950 6.952,951 3.428,952 6.943,953 -0.34,954 8.477,955 0.54,956 5.501,957 6.52,958 3.024,959 10.08,960 5.463,961 8.265,962 -0.51,963 10.188,964 -0.579,965 5.832,966 7.075,967 3.032,968 11.852,969 5.801,970 9.624,971 -0.711,972 11.946,973 -1.198,974 7.348,975 8.916,976 4.08,977 14.495,978 7.288,979 11.008,980 -0.904,981 13.737,982 -1.826,983 8.107,984 9.89,985 4.415,986 16.624,987 8.05,988 12.414,989 -1.23,990 15.551,991 -2.179,992 9.392,993 11.507,994 5.27,995 19.099,996 9.312,997 3.128,998 -1.327,999 17.382,1000 -2.456,1001 10.358,1002 12.694,1003 5.76,1004 21.372,1005 10.275,1006 2.465,1007 10.739,1008 19.227,1009 -3.278,1010 11.549,1011 14.206,1012 6.517,1013 23.786,1014 11.448,1015 2.108,1016 7.422,1017 21.082,1018 4.088,1019 12.61,1020 15.501,1021 7.081,1022 26.117,1023 12.503,1024 1.857,1025 5.854,1026 22.945,1027 3.038,1028 13.765,1029 16.962,1030 7.787,1031 28.507,1032 13.644,1033 1.568,1034 4.707,1035 24.815,1036 2.667,1037 14.869,1038 18.311,1039 8.39,1040 30.863,1041 14.739,1042 1.283,1043 3.045,1044 26.689,1045 2.545,1046 16.012,1047 19.747,1048 9.069,1049 33.244,1050 15.87,1051 1.013,1052 2.848,1053 28.568,1054 1.799,1055 17.135,1056 21.125,1057 9.692,1058 35.609,1059 16.983,1060 3163,1061 5307,1062 13.118,1063 23.256,1064 29.12,1065 30.53,1066 29.935,1067 28.754,1068 28.745,1069 36.516,1070 7.049,1071 77.767,1072 28.567,1073 5.4,1074 5.655,1075 6.585,1076 5.157,1077 5.128,1078 7.088,1079 3.312,1080 17.908,1081 5.097,1082 9.205,1083 1.456,1084 1.526,1085 1.497,1086 1.438,1087 1.437,1088 1.826,1089 0.352,1090 3.888,1091 1.428,1092 3.994,1093 4.025,1094 3.956,1095 3.905,1096 7.431,1097 3.911,1098 3.752,1099 3.81,1100 3.621,1101 3.615,1102 7.427,1103 3.603,1104 3.516,1105 3.58,1106 3.394,1107 3.31,1108 4.84,1109 3.323,1110 3.376,1111 3.438,1112 3.285,1113 3.152,1114 4.491,1115 3.174,1116 3.15,1117 3.214,1118 3.027,1119 2.943,1120 4.172,1121 2.958,1122 2.937,1123 2.995,1124 2.771,1125 2.733,1126 3.85,1127 2.73,1128 2.664,1129 2.759,1130 2.5,1131 2.428,1132 3.696,1133 2.436,1134 2.569,1135 2.654,1136 2.454,1137 2.341,1138 3.552,1139 2.364,1140 0.224,1141 0.183,1142 0.334,1143 0.206,1144 0.156,1145 4.478,1146 0.204,1147 3.655,1148 0.095,1149 6.674,1150 0.537,1151 4.118,1152 0.155,1153 3.128,1154 4.088,1155 1.909,1156 10.739,1157 3.097,1158 1.945,1159 1.922,1160 2.033,1161 2.06,1162 1.322,1163 2.048,1164 1.75,1165 1.691,1166 2.002,1167 1.92,1168 1.128,1169 1.949,1170 1.469,1171 1.406,1172 1.733,1173 1.704,1174 0.934,1175 1.709,1176 1.295,1177 1.235,1178 1.467,1179 1.56,1180 0.502,1181 1.543,1182 1.083,1183 1.031,1184 1.324,1185 1.365,1186 0.395,1187 1.356,1188 0.914,1189 0.849,1190 1.196,1191 1.138,1192 0.251,1193 1.157,1194 0.647,1195 0.555,1196 1.015,1197 0.949,1198 0.09,1199 0.989,1200 0.518,1201 0.436,1202 0.848,1203 0.785,1205 0.799,1206 3.714,1208 4.977,1210 6.454,1212 8.043,1214 9.699,1216 2.092,1222 3.451,1223 5.146,1231 22.181,1232 56.573,1233 121.309,1234 151.853,1235 167.362,1236 171.362,1237 173.362,1238 37.706,1239 6.236,1240 74.85,1241 74.85,1242 12,1243 11.94,1244 3.322,1245 2.807,1246 33.713,1247 56,1248 73,1249 0.297,1250 141.087,1251 249.88,1252 336.013,1253 3488,1255 13.665,1256 0.719,1257 0.574,1258 13.665,1259 10.902,1260 9.22,1261 0.461,1262 0.325,1263 6.418,1264 8.891,1265 6.276,1266 5.286,1267 9.22,1268 6.493,1269 7.764,1270 0.299,1271 0.171,1272 7.764,1273 4.452,1274 6.21,1275 0.188,1276 0.09,1277 6.21,1278 2.961,1279 5.055,1280 0.12,1281 0.046,1282 5.055,1283 1.94,1284 4.1,1285 0.079,1286 0.023,1287 4.1,1288 1.216,1289 0.458,1290 57.788,1291 0.276,1292 19.104,1293 0.828,1294 92,1295 293.782,1296 101.979,1297 282.809,1298 377.23,1299 262,1300 105,1301 271.978,1302 114.649,1303 272.803,1304 395.58,1305 257,1306 5} {0 CHEMBL2348744,1 1.592,2 8.81,3 1.785,4 3.187,5 77.964,6 8.215,7 0.522,8 3.642,9 3.753,10 3.289,11 3.237,12 4.868,13 3.232,14 4.104,15 4.236,16 3.62,17 3.598,18 5.347,19 3.569,20 4.359,21 4.536,22 3.661,23 3.672,24 5.597,25 3.632,26 4.331,27 4.539,28 3.567,29 3.516,30 5.584,31 3.483,32 4.243,33 4.454,34 3.432,35 3.353,36 5.575,37 3.337,38 4.072,39 4.272,40 3.219,41 3.233,42 5.363,43 3.204,44 3.917,45 4.112,46 3.141,47 3.182,48 5.294,49 3.131,50 3.816,51 4.013,52 2.993,53 3.162,54 4.933,55 3.087,56 0.067,57 0.501,58 5.514,59 2.8,60 6.823,61 3.295,62 0.17,63 0.77,64 9.567,65 4.663,66 17.092,67 5.766,68 0.274,69 0.941,70 14.911,71 6.002,72 42.565,73 7.36,74 0.24,75 0.909,76 15.58,77 5.607,78 33.853,79 7.256,80 0.377,81 0.814,82 15.076,83 4.651,84 47.158,85 5.674,86 0.279,87 0.656,88 12.714,89 4.237,90 45.575,91 4.88,92 0.262,93 0.569,94 10.485,95 3.938,96 54.948,97 4.911,98 0.153,99 0.535,100 9.017,101 3.595,102 24.978,103 4.487,104 5,105 31,106 0.29,107 0.578,108 0.679,109 0.8,110 0.862,111 0.873,112 3.103,113 0.854,114 -4.56,115 -4.48,116 -4.22,119 47.1,121 1,133 9,134 3,147 3,157 1,159 13,162 3,164 3,166 3,168 14,171 1,172 5,175 1,176 5,178 8,181 1,182 8,187 6,190 2,194 7,197 2,199 5,202 3,206 5,211 2,213 6,216 1,217 4,222 2,224 9,229 2,234 2,237 10,242 2,247 1,250 8,255 549,256 14.345,257 14.345,258 14.345,259 14.345,260 14.345,261 12.374,262 12.709,263 8.7,264 14.419,265 11.382,266 11.382,267 11.382,268 11.382,269 11.382,270 8.446,271 14.698,272 4.158,273 11.462,274 3.496,275 1.913,276 1.357,277 0.694,278 0.353,279 0.294,280 3.787,283 1,284 1,285 400,286 2.739,289 169.027,292 87.063,295 1.283,296 21.807,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 45.5,307 185,308 4.478,309 3.672,310 6.674,311 4.119,312 3.129,313 4.088,314 1.988,315 10.739,316 3.097,317 3.969,318 3.579,319 5.668,320 3.635,321 2.632,322 3.477,323 0.98,324 7.624,325 2.636,326 3.714,327 2.949,328 5.446,329 3.32,330 2.334,331 3.007,332 0.655,333 7.082,334 2.292,335 3.423,336 2.603,337 4.865,338 3.027,339 2.008,340 2.646,341 0.203,342 5.446,343 2.034,344 3.298,345 2.2,346 4.534,347 2.808,348 1.819,349 2.527,351 4.607,352 1.79,353 2.852,354 1.561,355 3.697,356 2.4,357 1.397,358 1.99,360 3.015,361 1.399,362 2.733,363 1.342,364 3.595,365 2.272,366 1.281,367 1.793,369 2.849,370 1.268,371 2.525,372 1.269,373 3.552,374 2,375 1,376 1.5,378 2.498,379 1,380 2.5,381 1,382 3.247,383 1.999,384 1,385 1.481,386 2.136,387 0.995,388 1.578,389 0.993,390 2.966,391 1.313,392 0.3,393 0.35,394 0.72,395 0.3,396 1.18,397 0.634,398 2.606,399 0.858,400 -0.163,401 -0.202,402 -0.399,403 -0.165,404 0.944,405 0.278,406 2.348,407 0.536,408 -0.493,409 -0.651,411 -1.199,412 -0.501,413 0.78,414 -0.418,415 2.066,416 0.278,417 -0.704,418 -0.951,420 -1.825,421 -0.685,422 0.612,423 -0.445,424 2,425 0.111,426 -0.904,427 -1.358,429 -2.178,430 -0.915,431 0.5,432 -0.712,433 1.555,434 0.035,435 -1,436 -1.451,438 -2.268,439 -1,440 9.867,441 0.47,442 0.435,443 0.021,444 29.5,445 1.405,446 16.5,447 0.786,448 13,449 0.619,450 12.557,451 0.598,452 21.333,453 0.627,454 20.47,455 0.975,456 6.235,457 0.297,458 4.002,459 0.191,460 0.068,462 0.304,466 0.622,467 0.966,468 0.698,469 0.868,470 0.532,471 0.802,472 0.478,473 1.111,474 0.822,475 1.092,476 0.57,477 1.041,478 0.997,479 1.103,480 1.002,481 1.065,482 1.045,483 1.046,484 0.979,485 1.273,486 0.923,487 1.122,488 0.864,489 1.025,490 1.459,491 0.978,492 1.099,493 0.879,494 1.406,495 0.898,496 1.735,497 0.867,498 1.182,499 0.853,500 1.748,501 0.898,502 0.997,503 0.901,504 0.965,505 0.887,506 0.986,507 0.915,508 0.991,509 0.878,510 1.102,511 0.919,512 0.937,513 1.008,514 3.5,515 0.041,516 2,517 1.438,518 1.018,519 0.5,520 0.365,521 0.165,522 0.107,523 0.078,524 4459,525 13106,526 2.102,527 38.2,529 9,532 2,533 2,536 1.631,537 2,538 3.14,539 0.331,541 1,543 1,545 54.113,546 1.592,547 3.174,548 3.73,549 4.393,550 4.735,551 4.793,552 2.512,553 3.975,554 4.367,555 3.271,556 686.839,557 7.475,558 7310.79,559 1,560 1,562 1,563 172.974,564 1.268,565 4.338,566 0.152,567 0.006,568 0.065,569 0.046,570 0.038,571 0.022,572 0.019,573 0.009,574 0.007,575 0.006,576 0.369,577 0.5,578 1,579 0.532,580 94.844,581 -0.005,582 0.136,583 0.022,584 0.072,585 -0.047,586 0.056,587 0.205,588 -0.064,589 -0.037,590 -0.139,591 0.029,592 -0.144,593 -0.024,594 -0.111,595 -0.076,596 -0.108,597 -0.074,598 -0.11,599 0.021,600 -0.28,601 0.077,602 -0.181,603 0.07,604 -0.067,605 -0.099,606 0.048,607 -0.043,608 0.028,609 -0.072,610 0.015,611 -0.33,612 0.097,613 -0.134,614 0.096,615 -0.231,616 0.04,617 0.089,618 0.04,619 0.032,620 0.098,621 0.186,622 0.066,623 -0.181,624 0.093,625 -0.168,626 0.066,627 -0.151,628 -0.024,629 1.938,630 5.067,631 0.762,632 14.721,633 1.011,634 1.117,635 3.327,636 11.068,637 0.698,638 3.178,639 3.466,640 3.714,641 3.97,642 4.174,643 4.094,644 4.159,645 4.174,646 4.22,647 4.111,648 5.353,649 0.68,650 279.32,651 3.178,652 4.691,653 5.525,654 6.389,655 7.241,656 8.11,657 8.969,658 9.841,659 10.705,660 11.579,661 8.8,668 2,670 1,675 9,680 3,682 12,699 34,700 15,701 2,702 23,704 36,705 16,706 12,707 3,708 9,709 2,710 3,711 4,719 1,721 15,722 1,724 3,728 2,730 1,731 3,732 1,733 1,736 13,737 5,738 2,739 5,743 3,745 1,747 0.667,748 2,760 3,763 1,766 1,777 2,785 21,789 1,790 2,801 5.9,804 2,808 10.5,809 6.033,810 4.667,811 1.919,812 2.473,813 1.369,814 1.006,815 3.692,816 9.171,817 3.497,818 4.043,819 4.559,820 5.109,821 5.59,822 5.588,823 5.874,824 6.033,825 6.296,826 6.294,827 0.833,828 31,829 7.741,831 3.312,832 7.952,833 14.426,835 11.623,837 2.452,838 51.5,842 129.482,843 109.115,844 52.562,846 50.29,849 109.115,850 179.772,851 52.562,853 38.434,854 85.286,855 62.027,856 26.22,858 129.482,860 129.482,861 161.677,862 50.29,865 129.482,866 50.29,869 55.097,870 106.58,873 129.482,874 102.852,875 109.115,878 129.482,879 23.828,880 85.286,881 35.899,882 66.953,883 129.482,884 102.852,885 109.115,887 0.571,888 0.331,889 0.187,890 0.103,891 15,892 6,893 0.083,894 3,895 1,896 1.125,897 3.393,898 158.101,899 0.125,900 16,901 88.239,904 13.376,905 5.796,906 2.946,908 102.852,909 16.475,914 2.05,916 35.899,917 341.449,918 32,922 23.744,924 3.919,925 -0.08,926 34.378,927 37.99,928 0.313,929 0.624,930 0.733,931 0.864,932 0.931,933 0.942,934 4.7,935 1,936 5.485,937 2.849,938 4.143,939 4.727,940 2.362,941 6.26,942 4.13,943 5.89,944 1,945 7.015,946 2.498,947 3.611,948 4.35,949 1.593,950 7.096,951 3.606,952 7.178,953 0.3,954 8.65,955 2.136,956 5.687,957 6.831,958 3.2,959 10.219,960 5.655,961 8.498,962 -0.163,963 10.35,964 0.72,965 5.994,966 7.261,967 3.168,968 11.944,969 5.968,970 9.851,971 -0.493,972 12.094,973 -0.399,974 7.523,975 9.21,976 4.344,977 14.577,978 7.474,979 11.227,980 -0.704,981 13.869,982 -1.199,983 8.249,984 10.061,985 4.659,986 16.677,987 8.2,988 12.622,989 -0.904,990 15.668,991 -1.825,992 9.54,993 11.752,994 5.615,995 19.143,996 9.472,997 3.129,998 -1,999 17.485,1000 -2.178,1001 10.476,1002 12.841,1003 6.099,1004 21.401,1005 10.403,1006 2.632,1007 10.739,1008 19.316,1009 -2.268,1010 11.665,1011 14.397,1012 6.938,1013 23.808,1014 11.578,1015 2.334,1016 7.624,1017 21.159,1018 4.088,1019 12.704,1020 15.622,1021 7.511,1022 26.132,1023 12.608,1024 2.008,1025 7.082,1026 23.011,1027 3.477,1028 13.854,1029 17.105,1030 8.285,1031 28.519,1032 13.745,1033 1.819,1034 5.446,1035 24.871,1036 3.007,1037 14.942,1038 18.407,1039 8.906,1040 30.871,1041 14.824,1042 1.397,1043 4.607,1044 26.737,1045 2.646,1046 16.079,1047 19.852,1048 9.644,1049 33.25,1050 15.948,1051 1.281,1052 3.015,1053 28.609,1054 2.527,1055 17.191,1056 21.199,1057 10.293,1058 35.614,1059 17.049,1060 4306,1061 7499,1062 15.603,1063 23.733,1064 34.314,1065 35.702,1066 34.572,1067 33.785,1068 33.8,1069 45.718,1070 7.653,1071 93.432,1072 33.622,1073 5.379,1074 5.672,1075 6.476,1076 5.158,1077 5.129,1078 7.088,1079 3.5,1080 17.911,1081 5.097,1082 7.711,1083 1.492,1084 1.552,1085 1.503,1086 1.469,1087 1.47,1088 1.988,1089 0.333,1090 4.062,1091 1.462,1092 4.002,1093 4.032,1094 3.962,1095 3.913,1096 7.431,1097 3.919,1098 3.907,1099 3.936,1100 3.837,1101 3.848,1102 7.427,1103 3.842,1104 3.533,1105 3.581,1106 3.465,1107 3.322,1108 4.843,1109 3.351,1110 3.364,1111 3.412,1112 3.296,1113 3.136,1114 4.742,1115 3.166,1116 3.077,1117 3.118,1118 3.008,1119 2.914,1120 4.491,1121 2.929,1122 2.854,1123 2.925,1124 2.687,1125 2.735,1126 3.848,1127 2.715,1128 2.804,1129 2.864,1130 2.686,1131 2.631,1132 3.69,1133 2.639,1134 2.608,1135 2.654,1136 2.491,1137 2.378,1138 3.674,1139 2.402,1140 0.195,1141 0.16,1142 0.29,1143 0.179,1144 0.136,1145 4.478,1146 0.178,1147 3.672,1148 0.086,1149 6.674,1150 0.467,1151 4.119,1152 0.135,1153 3.129,1154 4.088,1155 1.988,1156 10.739,1157 3.097,1158 1.949,1159 1.925,1160 2.049,1161 2.062,1162 1.166,1163 2.052,1164 1.911,1165 1.883,1166 2.022,1167 1.993,1168 1.124,1169 2.008,1170 1.445,1171 1.4,1172 1.61,1173 1.683,1174 0.717,1175 1.661,1176 1.261,1177 1.215,1178 1.417,1179 1.529,1180 0.411,1181 1.497,1182 1.022,1183 0.982,1184 1.21,1185 1.231,1186 0.251,1187 1.225,1188 0.886,1189 0.821,1190 1.181,1191 1.062,1192 0.218,1193 1.107,1194 0.772,1195 0.718,1196 1.029,1197 1.002,1198 0.042,1199 1.023,1200 0.539,1201 0.485,1202 0.868,1203 0.808,1205 0.822,1206 3.85,1208 5.142,1210 6.642,1212 8.241,1214 9.893,1222 0.26,1223 5.132,1231 23.128,1232 54.113,1233 107.915,1234 126.835,1235 149.364,1236 160.974,1237 162.974,1238 34.553,1239 6.697,1240 74.85,1241 74.85,1242 18,1243 12.122,1244 4,1245 3.322,1246 32.215,1247 67,1248 65,1249 0.236,1250 144.097,1251 253.3,1252 343.355,1253 6758,1255 14.656,1256 0.698,1257 0.532,1258 14.656,1259 11.167,1260 10.237,1261 0.445,1262 0.285,1263 6.476,1264 9.909,1265 6.355,1266 5.282,1267 10.237,1268 6.551,1269 9.007,1270 0.291,1271 0.15,1272 9.007,1273 4.657,1274 7.37,1275 0.184,1276 0.079,1277 7.37,1278 3.161,1279 6.283,1280 0.121,1281 0.042,1282 6.283,1283 2.168,1284 5.12,1285 0.08,1286 0.022,1287 5.12,1288 1.413,1289 0.366,1290 63.894,1291 0.253,1292 20.834,1293 0.656,1294 108,1295 341.782,1296 117.979,1297 333.562,1298 449.36,1299 310,1300 125,1301 325.978,1302 134.649,1303 330.307,1304 477.86,1305 311,1306 5} {0 CHEMBL2348745,1 1.731,2 5.667,3 0.086,4 0.007,5 53.242,6 8.468,7 0.375,8 3.311,9 3.428,10 2.969,11 2.83,12 4.592,13 2.85,14 3.761,15 3.908,16 3.312,17 3.162,18 5.102,19 3.167,20 3.96,21 4.122,22 3.34,23 3.219,24 5.329,25 3.227,26 3.883,27 4.072,28 3.23,29 3.069,30 5.232,31 3.078,32 3.804,33 4.011,34 2.991,35 2.894,36 5.181,37 2.883,38 3.603,39 3.815,40 2.518,41 2.645,42 4.919,43 2.584,44 3.307,45 3.554,46 2.045,47 2.218,48 4.842,49 2.084,50 2.714,51 3.017,52 0.603,53 1.407,54 3.761,55 1.17,56 0.09,57 0.38,58 3.766,59 1.859,60 7.027,61 2.147,62 0.204,63 0.556,64 6.943,65 3.04,66 16.854,67 3.83,68 0.334,69 0.623,70 9.694,71 3.382,72 46.456,73 3.96,74 0.254,75 0.574,76 9.187,77 2.981,78 28.317,79 3.907,80 0.327,81 0.489,82 9.211,83 2.589,84 32.487,85 3.345,86 0.255,87 0.349,88 8.105,89 2.553,90 35.583,91 3.055,92 0.239,93 0.222,94 6.912,95 2.271,96 46.463,97 3.109,98 0.151,99 0.098,100 4.604,101 1.164,102 27.797,103 1.601,104 12,105 22,106 0.349,107 0.7,108 0.785,109 0.835,110 0.869,111 0.885,112 2.797,113 0.831,114 -3.18,115 -3.17,116 -3.04,119 41.7,120 1,133 4,134 2,147 3,157 1,159 6,162 3,164 3,166 3,168 6,171 1,172 4,175 1,176 4,178 3,181 1,182 6,187 4,190 1,194 4,197 2,199 3,202 2,206 2,213 2,216 1,217 2,224 1,255 201,256 9.914,257 9.914,258 9.914,259 9.914,260 9.914,261 8.642,262 9.132,263 5.922,264 9.981,265 7.899,266 7.899,267 7.899,268 7.899,269 7.899,270 5.962,271 9.728,272 2.798,273 7.976,274 2.854,275 1.115,276 0.698,277 0.448,278 0.281,279 0.198,280 3.441,284 1,285 174,286 2.449,289 63.265,292 54.566,295 0.889,296 18.233,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 33.5,307 85,308 4.477,309 3.64,310 6.673,311 4.117,312 3.127,313 4.088,314 1.909,315 10.736,316 3.096,317 3.745,318 3.519,319 5.636,320 3.388,321 2.401,322 3.008,323 0.98,324 7.334,325 2.357,326 3.413,327 2.932,328 4.808,329 3.032,330 2.01,331 2.63,332 0.635,333 5.247,334 2.041,335 3.284,336 2.2,337 4.397,338 2.791,339 1.799,340 2.476,342 4.38,343 1.775,344 2.734,345 1.342,346 3.646,347 2.273,348 1.283,349 1.794,351 2.85,352 1.269,353 2.525,354 1.269,355 3.595,356 1.999,357 1,358 1.481,360 2.485,361 0.995,362 1.571,363 0.993,364 2.836,365 1.293,366 0.271,367 0.32,369 0.625,370 0.273,371 0.944,372 0.533,373 2.393,374 0.554,375 -0.463,376 -0.58,378 -1.143,379 -0.467,380 0.783,381 0.049,382 2.196,383 0.28,384 -0.685,385 -0.879,386 -1.811,387 -0.655,388 0.612,389 -0.418,390 2,391 0.112,392 -0.904,393 -1.325,394 -2,395 -0.914,396 0.389,397 -0.648,398 1.427,399 0.091,400 -1,401 -1.428,402 -2.181,403 -1.093,404 -0.064,405 -0.989,406 1.247,407 -0.31,408 -1.314,409 -1.708,411 -3.362,412 -1.31,413 -0.299,414 -1.333,415 1.119,416 -0.654,417 -1.654,418 -2.119,419 -0.348,420 -4.93,421 -1.667,422 -0.5,423 -1.66,424 1,425 -0.929,426 -1.87,427 -2.209,428 -0.795,429 -5.367,430 -1.762,431 -0.77,432 -1.849,433 0.705,434 -1,435 -2,436 -2.548,437 -0.98,438 -5.697,439 -1.938,440 6.867,441 0.458,442 0.404,443 0.027,444 20,445 1.333,446 10.5,447 0.7,448 9.5,449 0.633,450 8.381,451 0.559,452 15.933,453 0.664,454 13.02,455 0.868,456 4.311,457 0.287,458 2.87,459 0.191,460 0.17,462 0.364,466 0.655,467 1.089,468 0.682,469 0.939,470 0.549,471 0.827,472 0.488,473 1.118,474 0.666,475 1.026,476 0.539,477 0.923,478 1.182,479 1.041,480 1.029,481 0.931,482 1.198,483 0.943,484 0.939,485 1.325,486 0.918,487 1.125,488 0.782,489 1.023,490 1.142,491 0.951,492 1.178,493 0.963,494 1.056,495 1.034,496 1.491,497 0.793,498 1.394,499 1.076,500 1.529,501 1.184,502 0.798,503 0.854,504 1.028,505 1.187,506 0.956,507 1.203,508 1.632,509 0.452,510 1.366,511 0.659,512 1.994,513 0.942,514 3,516 1.778,517 1.125,518 0.867,519 0.438,520 0.244,521 0.056,524 1406,525 5122,526 1.993,527 37.5,529 4,532 2,533 3,536 1.537,537 1.837,538 2.588,539 0.561,545 41.536,546 1.731,547 3.47,548 3.887,549 4.137,550 4.304,551 4.387,552 1.933,553 3.64,554 3.879,555 2.655,556 278.767,557 6.53,558 2272.32,560 1,563 110.039,564 1.506,565 3.82,566 0.188,568 0.081,569 0.051,570 0.046,571 0.031,572 0.031,573 0.014,576 0.441,577 0.67,578 1,579 1.246,580 57.268,581 -0.04,582 0.096,583 0.009,584 0.05,585 -0.068,586 0.046,587 0.216,588 -0.031,589 0.129,590 -0.038,591 0.078,593 -0.167,594 -0.018,595 -0.141,596 0.011,597 -0.173,598 -0.051,599 -0.056,600 -0.315,601 0.004,602 -0.208,603 0.019,604 -0.105,605 -0.097,606 0.038,607 -0.193,608 -0.081,609 -0.07,610 -0.134,611 -0.33,612 0.062,613 -0.348,614 -0.115,615 -0.251,616 -0.201,617 0.324,618 -0.174,619 0.153,620 -0.148,621 0.371,622 -0.066,623 -0.283,624 0.1,625 0.007,626 0.352,627 -0.392,628 0.251,629 1.931,630 4.386,631 0.667,632 7.813,633 1.025,634 1.132,635 1.946,636 3.789,637 0.675,638 2.833,639 3.135,640 3.367,641 3.638,642 3.85,643 3.761,644 3.738,645 3.555,646 3.434,647 2.833,648 3.703,649 0.67,650 203.22,651 2.833,652 4.344,653 5.176,654 6.052,655 6.913,656 7.794,657 8.665,658 9.547,659 10.422,660 11.304,661 12.5,668 2,670 1,675 4,680 2,682 6,699 24,700 9,701 1,702 16,704 25,705 10,706 6,707 2,708 4,709 2,710 2,711 3,715 1,721 9,722 1,724 3,728 2,730 1,731 3,733 1,736 9,737 5,738 2,739 5,743 3,745 1,747 0.5,748 2,760 2,763 1,766 1,777 1,781 1,785 15,790 2,801 8.3,804 2,808 8.167,809 4.617,810 3.333,811 1.308,812 1.785,813 1.305,814 0.969,815 2.417,816 7.628,817 3.135,818 3.676,819 4.171,820 4.735,821 5.225,822 5.314,823 5.587,824 5.625,825 5.88,826 5.466,827 0.75,828 22,829 5.492,830 -0.001,831 2.313,832 8.189,833 10.007,835 7.811,837 2.689,838 40.333,839 0.002,842 82.398,843 64.839,844 52.562,846 50.29,849 64.839,850 132.688,851 52.562,852 8.825,853 35.899,854 37.905,855 62.027,856 23.034,858 82.398,860 82.398,861 117.401,862 50.29,865 82.398,866 50.29,869 61.387,870 56.013,873 82.398,874 102.852,875 64.839,878 82.398,879 18.108,880 46.73,881 35.899,882 66.953,883 82.398,884 102.852,885 64.839,887 0.576,888 0.323,889 0.187,890 0.109,891 11,892 5,893 0.04,894 1,895 1,896 1.2,897 2.657,898 97.708,899 0.2,900 10,901 58.603,904 9.714,905 3.732,906 1.837,908 102.852,909 6.966,914 1.146,916 35.899,917 250.088,918 22,922 22.285,924 3.777,925 -0.114,926 24.611,927 27.159,928 0.377,929 0.757,930 0.848,931 0.902,932 0.939,933 0.957,934 4.35,935 -0.463,936 5.165,937 0.625,938 3.807,939 4.357,940 2.271,941 5.974,942 3.788,943 5.558,944 -0.685,945 6.723,946 -1.143,947 3.434,948 4.159,949 1.593,950 6.917,951 3.428,952 6.863,953 -0.904,954 8.387,955 -1.811,956 5.38,957 6.471,958 3.024,959 10.03,960 5.334,961 8.202,962 -1,963 10.116,964 -2,965 5.802,966 7.058,967 3.032,968 11.827,969 5.768,970 9.571,971 -1.314,972 11.887,973 -2.181,974 7.266,975 8.89,976 4.08,977 14.47,978 7.198,979 10.964,980 -1.654,981 13.687,982 -3.362,983 8.073,984 9.874,985 4.415,986 16.61,987 8.01,988 12.375,989 -1.87,990 15.509,991 -4.93,992 9.338,993 11.492,994 5.27,995 19.087,996 9.251,997 3.127,998 -2,999 17.348,1000 -5.367,1001 10.328,1002 12.683,1003 5.76,1004 21.364,1005 10.239,1006 2.401,1007 10.736,1008 19.198,1009 -5.697,1010 11.512,1011 14.197,1012 6.517,1013 23.779,1014 11.407,1015 2.01,1016 7.334,1017 21.058,1018 4.088,1019 12.586,1020 15.494,1021 7.081,1022 26.112,1023 12.474,1024 1.799,1025 5.247,1026 22.925,1027 3.008,1028 13.74,1029 16.956,1030 7.787,1031 28.502,1032 13.615,1033 1.283,1034 4.38,1035 24.798,1036 2.63,1037 14.849,1038 18.307,1039 8.39,1040 30.858,1041 14.717,1042 1,1043 2.85,1044 26.676,1045 2.476,1046 15.993,1047 19.743,1048 9.069,1049 33.239,1050 15.849,1051 0.271,1052 2.485,1053 28.557,1054 1.794,1055 17.119,1056 21.122,1057 9.692,1058 35.605,1059 16.966,1060 1494,1061 2921,1062 10.345,1063 16.21,1064 24.248,1065 25.274,1066 24.681,1067 23.788,1068 23.781,1069 31.592,1070 7.049,1071 67.313,1072 23.611,1073 5.321,1074 5.64,1075 6.353,1076 5.154,1077 5.127,1078 7.088,1079 3.312,1080 17.901,1081 5.096,1082 7.513,1083 1.515,1084 1.58,1085 1.543,1086 1.487,1087 1.486,1088 1.974,1089 0.441,1090 4.207,1091 1.476,1092 3.991,1093 4.021,1094 3.954,1095 3.903,1096 7.432,1097 3.91,1098 3.583,1099 3.632,1100 3.501,1101 3.35,1102 7.427,1103 3.379,1104 3.373,1105 3.43,1106 3.3,1107 3.132,1108 4.84,1109 3.164,1110 3.067,1111 3.113,1112 2.99,1113 2.893,1114 4.492,1115 2.905,1116 2.704,1117 2.798,1118 2.522,1119 2.466,1120 3.891,1121 2.475,1122 2.569,1123 2.654,1124 2.455,1125 2.342,1126 3.663,1127 2.365,1128 2.469,1129 2.512,1130 2.255,1131 2.07,1132 3.474,1133 2.115,1134 2.035,1135 2.102,1136 1.856,1137 1.492,1138 3.353,1139 1.562,1140 0.28,1141 0.227,1142 0.417,1143 0.257,1144 0.195,1145 4.477,1146 0.255,1147 3.64,1148 0.119,1149 6.673,1150 0.671,1151 4.117,1152 0.193,1153 3.127,1154 4.088,1155 1.909,1156 10.736,1157 3.096,1158 1.945,1159 1.922,1160 2.029,1161 2.057,1162 1.129,1163 2.045,1164 1.494,1165 1.441,1166 1.725,1167 1.751,1168 0.728,1169 1.74,1170 1.269,1171 1.217,1172 1.43,1173 1.55,1174 0.405,1175 1.521,1176 1.01,1177 0.966,1178 1.211,1179 1.24,1180 0.25,1181 1.231,1182 0.671,1183 0.587,1184 0.987,1185 0.971,1187 0.997,1188 0.518,1189 0.435,1190 0.805,1191 0.784,1193 0.796,1194 0.293,1195 0.242,1196 0.449,1197 0.699,1199 0.629,1202 0.309,1203 0.372,1205 0.327,1206 3.497,1208 4.796,1210 6.308,1212 7.929,1214 9.61,1216 1.39,1223 4.883,1231 16.074,1232 41.536,1233 83.284,1234 93.284,1235 99.284,1236 103.284,1237 105.284,1238 23.028,1239 5.844,1240 74.85,1241 74.85,1242 12,1243 11.84,1244 3.322,1245 2.807,1246 23.391,1247 33,1248 30,1249 0.378,1250 102.718,1251 180.68,1252 242.392,1253 1956,1255 10.836,1256 0.722,1257 0.538,1258 10.836,1259 8.073,1260 7.182,1261 0.449,1262 0.277,1263 4.358,1264 6.841,1265 4.244,1266 3.547,1267 7.182,1268 4.433,1269 6.556,1270 0.298,1271 0.142,1272 6.556,1273 3.128,1274 4.978,1275 0.178,1276 0.071,1277 4.978,1278 1.99,1279 4.283,1280 0.116,1281 0.037,1282 4.283,1283 1.377,1284 3.56,1285 0.077,1286 0.02,1287 3.56,1288 0.902,1289 0.548,1290 45.56,1291 0.311,1292 14.785,1293 1.171,1294 76,1295 277.782,1296 85.979,1297 266.405,1298 353.15,1299 246,1300 88,1301 253.978,1302 97.15,1303 254.814,1304 367.8,1305 239,1306 5} {0 CHEMBL2348746,1 1.48,2 9.333,3 2.508,4 6.291,5 82.745,6 7.704,7 0.522,8 3.682,9 3.803,10 3.283,11 3.287,12 4.847,13 3.264,14 4.139,15 4.289,16 3.578,17 3.638,18 5.289,19 3.588,20 4.382,21 4.584,22 3.59,23 3.714,24 5.482,25 3.633,26 4.357,27 4.587,28 3.436,29 3.581,30 5.399,31 3.493,32 4.299,33 4.538,34 3.428,35 3.487,36 5.412,37 3.42,38 4.195,39 4.423,40 3.304,41 3.389,42 5.306,43 3.326,44 4.055,45 4.286,46 3.093,47 3.282,48 5.109,49 3.196,50 3.911,51 4.151,52 2.944,53 3.201,54 4.907,55 3.089,56 0.048,57 0.523,58 6.644,59 3.031,60 5.992,61 3.882,62 0.115,63 0.807,64 11.299,65 4.925,66 13.387,67 6.48,68 0.164,69 0.976,70 16.328,71 6.572,72 27.375,73 8.873,74 0.132,75 0.945,76 16.846,77 6.113,78 25.013,79 8.36,80 0.203,81 0.89,82 16.447,83 5.57,84 32.012,85 7.658,86 0.176,87 0.814,88 14.567,89 4.699,90 31.144,91 6.27,92 0.167,93 0.698,94 12.674,95 4.242,96 27.046,97 5.65,98 0.084,99 0.577,100 10.903,101 4.303,102 15.303,103 5.928,104 2,105 30,106 0.266,107 0.554,108 0.657,109 0.773,110 0.831,111 0.841,112 3.103,113 0.881,114 -4.79,115 -4.7,116 -4.42,119 47.2,124 1,130 1,131 1,133 10,134 2,147 2,157 1,159 14,162 2,164 2,166 3,168 15,171 1,172 3,175 1,176 5,178 10,182 4,187 5,190 4,194 6,197 1,199 6,202 4,206 5,211 5,213 5,217 3,222 3,224 7,229 2,234 1,237 9,242 2,250 10,255 558,256 14.552,257 14.552,258 14.552,259 14.552,260 14.552,261 12.529,262 12.005,263 8.972,264 14.662,265 11.388,266 11.388,267 11.388,268 11.388,269 11.388,270 8.405,271 15.518,272 4.314,273 11.534,274 3.69,275 2.091,276 1.52,277 0.875,278 0.556,279 0.5,280 3.789,283 1,284 1,285 423,286 2.121,289 206.427,295 1.46,296 13.521,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 44.5,307 196,308 4.391,309 3.597,310 6.471,311 4.025,312 3.026,313 3.907,314 0.98,315 10.042,316 3.021,317 3.913,318 2.918,319 5.408,320 3.537,321 2.553,322 3.449,323 0.799,324 7.141,325 2.518,326 3.769,327 2.653,328 5.251,329 3.315,330 2.342,331 3.194,332 0.392,333 6.673,334 2.277,335 3.476,336 2.553,337 5.019,338 3.051,339 2.057,340 2.709,342 5.698,343 2.025,344 2.985,345 1.674,346 4.029,347 2.525,348 1.526,349 2.104,351 3.511,352 1.52,353 2.918,354 1.621,355 3.639,356 2.487,357 1.492,358 2.084,360 3.147,361 1.484,362 2.529,363 1.143,364 3.48,365 2,366 1,367 1.5,369 2.48,370 1,371 2.5,372 1.018,373 3.247,374 2,375 1,376 1.5,378 2.136,379 1,380 2.5,381 1,382 3.247,383 1.99,384 1,385 1.405,386 2.136,387 0.989,388 1.939,389 1,390 3.147,391 1.649,392 0.692,393 0.81,394 1.599,395 0.659,396 1.357,397 0.696,398 2.597,399 1.037,404 0.834,405 -0.177,406 2.43,407 0.477,408 -0.512,409 -0.618,411 -1.239,412 -0.506,413 0.745,414 -0.407,415 2.08,416 0.27,417 -0.721,418 -1.016,420 -1.633,421 -0.709,422 0.5,423 -0.797,424 1.687,426 -1,427 -1.264,429 -2.347,430 -0.969,431 0.5,432 -0.872,433 1.555,435 -1,436 -1.5,438 -2.347,439 -1,440 10.033,441 0.478,442 0.346,443 0.016,444 29.25,445 1.393,446 16.5,447 0.786,448 12.75,449 0.607,450 12.515,451 0.596,452 21.167,453 0.588,454 19.579,455 0.932,456 6.236,457 0.297,458 4.091,459 0.195,460 0.033,462 0.249,466 0.685,467 0.968,468 0.761,469 0.876,470 0.579,471 0.831,472 0.64,473 1.099,474 0.932,475 1.071,476 0.616,477 1.042,478 0.788,479 1.1,480 0.971,481 1.102,482 0.846,483 1.07,484 1.106,485 1.159,486 1.037,487 1.077,488 0.963,489 1.046,490 1.204,491 1.077,492 0.919,493 0.899,494 1.098,495 0.873,496 1.62,497 1.091,498 1.117,499 0.913,500 1.471,501 0.935,502 1.563,503 0.926,504 1.204,505 0.881,506 1.451,507 0.968,508 0.809,509 0.789,510 0.947,511 0.929,512 0.702,513 0.944,514 3,515 0.029,516 1.778,517 0.813,518 0.876,519 0.458,520 0.181,521 0.217,522 0.135,523 0.039,524 4661,525 12128,526 2.131,527 41.7,529 13,532 2,536 1.63,537 2.066,538 3.227,539 0.284,541 1,543 1,545 53.272,546 1.48,547 3.079,548 3.65,549 4.295,550 4.614,551 4.67,552 2.684,553 4.011,554 4.364,555 3.347,556 702.819,557 7.468,558 7572.25,559 1,560 1,562 1,563 186.117,564 1.049,565 4.355,566 0.13,567 0.003,568 0.059,569 0.028,570 0.036,571 0.019,572 0.009,573 0.013,574 0.009,575 0.003,576 0.31,577 0.5,578 1,579 0.418,580 95.569,581 0.034,582 0.131,583 0.032,584 0.066,585 -0.049,586 0.051,587 0.138,588 -0.041,589 -0.09,590 -0.124,591 0.021,592 -0.137,593 0.126,594 -0.116,595 -0.033,596 -0.134,597 0.053,598 -0.113,599 -0.079,600 -0.169,601 -0.046,602 -0.127,603 -0.024,604 -0.087,605 0.03,606 -0.076,607 0.111,608 0.039,609 0.074,610 0.077,611 -0.25,612 -0.05,613 -0.097,614 -0.001,615 -0.167,616 -0.022,617 -0.307,618 0.099,619 -0.197,620 0.049,621 -0.244,622 -0.038,623 -0.034,624 0.142,625 0.034,626 0.074,627 0.078,628 0.073,629 1.855,630 4.9,631 0.857,632 16.463,633 0.998,634 1.117,635 3.56,636 12.672,637 0.696,638 3.178,639 3.434,640 3.664,641 3.871,642 4.094,643 3.97,644 4.043,645 4.127,646 4.143,647 4.111,648 5.571,649 0.665,650 277.35,651 3.178,652 4.673,653 5.493,654 6.333,655 7.171,656 8.017,657 8.862,658 9.712,659 10.56,660 11.412,661 8.3,663 1,668 1,670 1,675 10,680 2,682 12,699 36,700 15,701 2,702 23,704 38,705 17,706 12,707 2,708 10,709 4,710 3,711 3,721 16,722 1,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 4,738 2,739 4,743 3,745 1,747 1,748 1,760 3,770 1,771 1,773 1,777 3,785 21,789 1,790 2,801 2.8,804 1,808 10.167,809 6.283,810 4.722,811 2.031,812 2.6,813 1.393,814 1.009,815 4.012,816 9.212,817 3.497,818 4.025,819 4.549,820 5.032,821 5.547,822 5.486,823 5.768,824 6.083,825 6.337,826 6.52,827 1,828 29,829 7.715,831 3.212,832 7.73,833 14.688,835 11.72,837 2.23,838 46.833,842 153.024,843 122.934,844 52.562,846 25.145,849 122.934,850 178.169,851 52.562,853 19.994,854 122.249,855 32.177,856 26.22,858 153.024,860 153.024,861 175.496,862 25.145,865 153.024,866 25.145,869 54.668,870 111.352,871 9.476,873 153.024,874 77.707,875 122.934,878 153.024,879 18.695,880 104.239,881 35.899,882 41.808,883 153.024,884 77.707,885 122.934,887 0.563,888 0.323,889 0.175,890 0.099,891 14,892 5,893 0.105,894 4,896 1,897 3.475,898 154.459,900 18,901 84.239,904 13.438,905 6.27,906 3.316,908 77.707,909 19.603,914 2.038,916 35.899,917 353.665,918 32,922 11.9,923 1.775,924 4.031,925 1.074,926 35.934,927 40.196,928 0.286,929 0.596,930 0.706,931 0.831,932 0.893,933 0.903,934 4.682,935 1,936 5.425,937 2.48,938 4.111,939 4.71,940 1.505,941 6.151,942 4.088,943 5.857,944 1,945 6.923,946 2.136,947 3.434,948 4.159,950 6.88,951 3.412,952 7.127,953 0.692,954 8.524,955 2.136,956 5.609,957 6.791,958 1.31,959 9.978,960 5.565,961 8.434,963 10.191,964 1.599,965 5.802,966 7.065,968 11.612,969 5.768,970 9.772,971 -0.512,972 11.903,974 7.387,975 9.118,976 1.193,977 14.195,978 7.332,979 11.133,980 -0.721,981 13.647,982 -1.239,983 8.015,984 9.816,986 16.211,987 7.973,988 12.513,989 -1,990 15.414,991 -1.633,992 9.328,993 11.577,994 1.109,995 18.617,996 9.271,997 3.026,998 -1,999 17.2,1000 -2.347,1001 10.185,1002 12.522,1004 20.8,1005 10.14,1006 2.553,1007 10.042,1008 18.999,1009 -2.347,1010 11.372,1011 14.116,1012 1.045,1013 23.142,1014 11.319,1015 2.342,1016 7.141,1017 20.811,1018 3.907,1019 12.348,1020 15.213,1022 25.396,1023 12.304,1024 2.057,1025 6.673,1026 22.632,1027 3.449,1028 13.48,1029 16.708,1030 0.994,1031 27.716,1032 13.431,1033 1.526,1034 5.698,1035 24.46,1036 3.194,1037 14.518,1038 17.902,1040 30,1041 14.475,1042 1.492,1043 3.511,1044 26.295,1045 2.709,1046 15.628,1047 19.339,1048 0.952,1049 32.311,1050 15.583,1051 1,1052 3.147,1053 28.136,1054 2.104,1055 16.697,1056 20.594,1058 34.608,1059 16.655,1060 4472,1061 7326,1062 15.89,1063 25.04,1064 34.016,1065 34.792,1066 33.702,1067 33.425,1068 33.377,1069 45.324,1070 4.341,1071 89.125,1072 32.986,1073 5.24,1074 5.597,1075 6.273,1076 5.064,1077 5.026,1078 6.907,1079 1.96,1080 16.671,1081 5.021,1082 5.482,1083 1.479,1084 1.513,1085 1.465,1086 1.453,1087 1.451,1088 1.971,1089 0.189,1090 3.875,1091 1.434,1092 3.985,1093 4.018,1094 3.935,1095 3.909,1096 7.429,1097 3.909,1098 3.897,1099 3.928,1100 3.824,1101 3.84,1102 4.849,1103 3.832,1104 3.692,1105 3.742,1106 3.632,1107 3.533,1108 4.744,1109 3.552,1110 3.293,1111 3.362,1112 3.186,1113 3.098,1114 4.674,1115 3.105,1116 2.916,1117 2.989,1118 2.821,1119 2.751,1120 3.973,1121 2.76,1122 2.897,1123 2.931,1124 2.819,1125 2.735,1126 3.869,1127 2.715,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.674,1133 2.715,1134 2.854,1135 2.925,1136 2.687,1137 2.646,1138 3.674,1139 2.691,1140 0.191,1141 0.156,1142 0.281,1143 0.175,1144 0.132,1145 4.391,1146 0.17,1147 3.597,1148 0.043,1149 6.471,1150 0.437,1151 4.025,1152 0.131,1153 3.026,1154 3.907,1155 0.98,1156 10.042,1157 3.021,1158 1.945,1159 1.92,1160 2.052,1161 2.047,1162 1.159,1163 2.046,1164 1.905,1165 1.876,1166 2.031,1167 1.987,1168 1.12,1169 2.003,1170 1.627,1171 1.585,1172 1.737,1173 1.82,1174 0.777,1175 1.802,1176 1.249,1177 1.183,1178 1.489,1179 1.489,1180 0.628,1181 1.489,1182 0.886,1183 0.821,1184 1.181,1185 1.106,1186 0.218,1187 1.107,1188 0.886,1189 0.821,1190 1.181,1191 1.062,1192 0.218,1193 1.107,1194 0.87,1195 0.811,1196 1.081,1197 1.062,1198 0.139,1199 1.103,1200 0.788,1201 0.749,1202 0.997,1203 1.049,1204 0.012,1205 1.037,1206 3.85,1208 5.118,1210 6.594,1212 8.159,1214 9.767,1222 0.661,1223 5.752,1231 23.94,1232 53.272,1233 110.844,1234 131.388,1235 154.608,1236 166.117,1237 168.117,1238 27.151,1239 6.612,1240 57.78,1241 57.78,1242 18,1243 11.97,1244 4,1245 3.322,1246 32.235,1247 70,1248 66,1249 0.226,1250 149.693,1251 261.81,1252 357.01,1253 6084,1255 14.493,1256 0.69,1257 0.543,1258 14.493,1259 11.413,1260 10.326,1261 0.449,1262 0.294,1263 6.693,1264 10.062,1265 6.555,1266 5.477,1267 10.326,1268 6.757,1269 8.8,1270 0.293,1271 0.157,1272 8.8,1273 4.701,1274 7.33,1275 0.193,1276 0.084,1277 7.33,1278 3.205,1279 5.877,1280 0.125,1281 0.045,1282 5.877,1283 2.117,1284 4.942,1285 0.084,1286 0.024,1287 4.942,1288 1.417,1289 0.353,1290 63.899,1291 0.251,1292 21.032,1293 0.618,1294 106,1295 296.046,1296 113.432,1297 294.83,1298 404.82,1299 276,1300 121,1301 298.778,1302 128.655,1303 305.648,1304 439.66,1305 288,1306 5} {0 CHEMBL2348747,1 1.48,2 8.667,3 2.508,4 6.291,5 82.745,6 7.704,7 0.522,8 3.682,9 3.803,10 3.283,11 3.287,12 4.847,13 3.264,14 4.139,15 4.289,16 3.578,17 3.638,18 5.295,19 3.588,20 4.381,21 4.584,22 3.586,23 3.716,24 5.463,25 3.634,26 4.353,27 4.587,28 3.46,29 3.604,30 5.338,31 3.517,32 4.323,33 4.556,34 3.495,35 3.563,36 5.409,37 3.496,38 4.305,39 4.531,40 3.423,41 3.523,42 5.424,43 3.457,44 4.198,45 4.422,46 3.241,47 3.441,48 5.297,49 3.352,50 4.038,51 4.272,52 3.021,53 3.324,54 5.069,55 3.2,56 0.048,57 0.523,58 6.644,59 3.031,60 5.992,61 3.882,62 0.115,63 0.807,64 11.299,65 4.925,66 14.313,67 6.48,68 0.173,69 0.978,70 16.361,71 6.574,72 29.066,73 8.87,74 0.122,75 0.965,76 16.623,77 6.004,78 19.648,79 8.37,80 0.178,81 0.936,82 16.297,83 5.641,84 25.761,85 7.863,86 0.183,87 0.894,88 16.232,89 5.515,90 33.707,91 7.319,92 0.184,93 0.781,94 14.632,95 5.208,96 32.545,97 6.815,98 0.094,99 0.647,100 12.323,101 5.025,102 19.896,103 6.83,104 2,105 30,106 0.266,107 0.554,108 0.657,109 0.773,110 0.831,111 0.841,112 3.103,113 0.881,114 -4.79,115 -4.7,116 -4.42,119 47.2,124 1,130 1,131 1,133 10,134 2,147 2,157 1,159 14,162 2,164 2,166 3,168 15,171 1,172 3,175 1,176 5,178 10,182 4,187 5,190 4,194 6,197 1,199 6,202 5,206 5,211 5,213 8,217 3,222 3,224 11,229 2,234 1,237 11,242 2,250 8,255 600,256 14.552,257 14.552,258 14.552,259 14.552,260 14.552,261 12.529,262 12.005,263 8.995,264 14.652,265 11.398,266 11.398,267 11.398,268 11.398,269 11.398,270 8.41,271 15.518,272 4.33,273 11.532,274 3.69,275 2.091,276 1.52,277 0.875,278 0.556,279 0.5,280 3.79,283 1,284 1,285 392,286 2.121,289 198.034,295 1.238,296 13.049,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 44.5,307 182,308 4.409,309 3.508,310 6.518,311 4.029,312 3.045,313 3.926,314 0.98,315 10.263,316 2.998,317 3.899,318 3.096,319 5.369,320 3.515,321 2.522,322 3.446,323 0.799,324 7.012,325 2.505,326 3.732,327 2.728,328 5.228,329 3.32,330 2.318,331 3.171,332 0.392,333 6.42,334 2.317,335 3.468,336 2.407,337 4.954,338 3.054,339 2.069,340 2.638,342 5.781,343 2.024,344 3.051,345 1.67,346 4.11,347 2.573,348 1.585,349 2.209,351 3.643,352 1.563,353 2.913,354 1.598,355 3.635,356 2.459,357 1.467,358 2.073,360 3.13,361 1.454,362 2.526,363 1.135,364 3.479,365 2,366 1,367 1.5,369 2.479,370 1,371 2.5,372 1.018,373 3.247,374 2,375 1,376 1.5,378 2.136,379 1,380 2.5,381 1,382 3.247,383 1.99,384 1,385 1.413,386 2.136,387 0.989,388 1.943,389 1,390 3.161,391 1.673,392 0.716,393 0.829,394 1.651,395 0.682,396 1.306,397 0.668,398 2.585,399 0.954,400 -0.057,401 -0.07,402 -0.135,403 -0.057,404 0.856,405 -0.14,406 2.377,407 0.47,408 -0.555,409 -0.726,411 -1.35,412 -0.56,413 0.745,414 -0.391,415 2.12,416 0.329,417 -0.659,418 -0.862,420 -1.462,421 -0.653,422 0.5,423 -0.74,424 1.791,426 -1,427 -1.287,429 -2.347,430 -0.968,431 0.5,432 -0.913,433 1.555,435 -1,436 -1.5,438 -2.347,439 -1,440 10.033,441 0.478,442 0.346,443 0.016,444 29.25,445 1.393,446 16.5,447 0.786,448 12.75,449 0.607,450 12.638,451 0.602,452 21.167,453 0.588,454 19.719,455 0.939,456 6.236,457 0.297,458 4.091,459 0.195,460 0.033,462 0.249,466 0.685,467 0.968,468 0.761,469 0.876,470 0.579,471 0.831,472 0.64,473 1.099,474 0.932,475 1.071,476 0.597,477 1.042,478 0.807,479 1.116,480 0.979,481 1.087,482 0.889,483 1.067,484 0.926,485 1.161,486 1.001,487 1.041,488 0.649,489 1.019,490 0.975,491 1.1,492 0.92,493 0.941,494 0.7,495 0.913,496 1.535,497 1.017,498 1.071,499 0.913,500 1.464,501 0.923,502 1.572,503 0.871,504 1.164,505 0.9,506 1.642,507 0.967,508 0.868,509 0.862,510 1.035,511 1.035,512 0.917,513 1.055,514 3,515 0.029,516 1.778,517 0.813,518 0.796,519 0.514,520 0.283,521 0.205,522 0.09,523 0.053,524 4437,525 11728,526 2.131,527 41.7,529 13,532 2,536 1.634,537 2.066,538 3.12,539 0.284,541 1,543 1,545 53.272,546 1.48,547 3.079,548 3.65,549 4.295,550 4.614,551 4.67,552 2.489,553 4.011,554 4.364,555 3.235,556 679.413,557 7.49,558 7279.94,559 1,560 1,562 1,563 186.117,564 1.049,565 4.355,566 0.13,567 0.006,568 0.059,569 0.028,570 0.032,571 0.02,572 0.012,573 0.01,574 0.006,575 0.005,576 0.307,577 0.5,578 1,579 0.418,580 94.669,581 0.034,582 0.131,583 0.032,584 0.066,585 -0.049,586 0.051,587 0.138,588 -0.041,589 -0.09,590 -0.124,591 0.041,592 -0.137,593 0.107,594 -0.133,595 -0.041,596 -0.119,597 0.007,598 -0.109,599 -0.061,600 -0.146,601 -0.026,602 -0.099,603 -0.016,604 -0.061,605 0.055,606 -0.069,607 0.073,608 -0.01,609 0.122,610 0.03,611 -0.209,612 -0.006,613 -0.057,614 0.021,615 -0.117,616 0.008,617 -0.272,618 0.106,619 -0.158,620 0.059,621 -0.211,622 -0.017,623 -0.057,624 0.045,625 -0.06,626 -0.021,627 0.002,628 -0.034,629 1.876,630 4.544,631 0.857,632 15.605,633 0.998,634 1.117,635 3.56,636 12.672,637 0.696,638 3.178,639 3.434,640 3.664,641 3.892,642 4.127,643 4.025,644 4.094,645 4.159,646 4.159,647 4.078,648 5.271,649 0.665,650 277.35,651 3.178,652 4.673,653 5.493,654 6.337,655 7.177,656 8.028,657 8.877,658 9.733,659 10.586,660 11.444,661 8.3,663 1,668 1,670 1,675 10,680 2,682 12,699 36,700 15,701 2,702 23,704 38,705 17,706 12,707 2,708 10,709 4,710 3,711 3,721 16,722 1,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 15,737 4,738 2,739 4,743 3,745 1,747 1,748 1,760 3,770 1,771 1,773 1,777 3,785 21,789 1,790 2,801 2.8,804 1,808 10.167,809 6.283,810 4.722,811 2.031,812 2.745,813 1.415,814 1.009,815 4.012,816 9.357,817 3.497,818 4.025,819 4.549,820 5.045,821 5.558,822 5.499,823 5.773,824 6.062,825 6.302,826 6.385,827 0.833,828 29,829 7.708,831 3.202,832 7.73,833 14.688,835 11.72,837 2.23,838 46.833,842 153.024,843 122.934,844 52.562,846 25.145,849 122.934,850 178.169,851 52.562,853 19.994,854 122.249,855 32.177,856 26.22,858 153.024,860 153.024,861 175.496,862 25.145,865 153.024,866 25.145,869 54.668,870 111.352,871 9.476,873 153.024,874 77.707,875 122.934,878 153.024,879 18.695,880 104.239,881 35.899,882 41.808,883 153.024,884 77.707,885 122.934,887 0.562,888 0.32,889 0.177,890 0.103,891 14,892 5,893 0.105,894 4,896 1,897 3.438,898 156.316,900 18,901 84.239,904 13.438,905 6.27,906 3.316,908 77.707,909 19.814,914 2.121,916 35.899,917 353.665,918 32,922 11.544,923 1.565,924 4.121,925 1.263,926 35.934,927 40.196,928 0.286,929 0.596,930 0.706,931 0.831,932 0.893,933 0.903,934 4.682,935 1,936 5.425,937 2.479,938 4.111,939 4.71,940 1.505,941 6.155,942 4.088,943 5.857,944 1,945 6.923,946 2.136,947 3.434,948 4.159,950 6.899,951 3.412,952 7.127,953 0.716,954 8.525,955 2.136,956 5.609,957 6.791,958 1.31,959 10.008,960 5.561,961 8.434,962 -0.057,963 10.194,964 1.651,965 5.802,966 7.065,968 11.676,969 5.75,970 9.772,971 -0.555,972 11.91,973 -0.135,974 7.391,975 9.121,976 1.193,977 14.276,978 7.315,979 11.134,980 -0.659,981 13.659,982 -1.35,983 8.024,984 9.825,986 16.331,987 7.939,988 12.515,989 -1,990 15.433,991 -1.462,992 9.341,993 11.586,994 1.109,995 18.758,996 9.237,997 3.045,998 -1,999 17.227,1000 -2.347,1001 10.207,1002 12.542,1004 20.975,1005 10.089,1006 2.522,1007 10.263,1008 19.036,1009 -2.347,1010 11.4,1011 14.136,1012 1.045,1013 23.34,1014 11.264,1015 2.318,1016 7.012,1017 20.857,1018 3.926,1019 12.387,1020 15.246,1022 25.623,1023 12.235,1024 2.069,1025 6.42,1026 22.687,1027 3.446,1028 13.526,1029 16.741,1030 0.994,1031 27.966,1032 13.357,1033 1.585,1034 5.781,1035 24.526,1036 3.171,1037 14.574,1038 17.947,1040 30.276,1041 14.387,1042 1.467,1043 3.643,1044 26.372,1045 2.638,1046 15.692,1047 19.385,1048 0.952,1049 32.61,1050 15.489,1051 1,1052 3.13,1053 28.223,1054 2.209,1055 16.771,1056 20.651,1058 34.931,1059 16.55,1060 4278,1061 7066,1062 15.89,1063 25.04,1064 34.058,1065 34.704,1066 33.725,1067 33.402,1068 33.442,1069 45.41,1070 4.341,1071 89.3,1072 33.064,1073 5.304,1074 5.508,1075 6.32,1076 5.067,1077 5.045,1078 6.926,1079 1.96,1080 17.015,1081 4.998,1082 5.595,1083 1.481,1084 1.509,1085 1.466,1086 1.452,1087 1.454,1088 1.974,1089 0.189,1090 3.883,1091 1.438,1092 3.988,1093 4.022,1094 3.937,1095 3.912,1096 7.43,1097 3.911,1098 3.892,1099 3.923,1100 3.819,1101 3.837,1102 4.859,1103 3.829,1104 3.692,1105 3.739,1106 3.633,1107 3.531,1108 4.743,1109 3.55,1110 3.298,1111 3.369,1112 3.186,1113 3.094,1114 4.648,1115 3.101,1116 2.959,1117 3.006,1118 2.881,1119 2.776,1120 3.976,1121 2.8,1122 2.856,1123 2.925,1124 2.77,1125 2.735,1126 3.87,1127 2.715,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.674,1133 2.715,1134 2.854,1135 2.916,1136 2.687,1137 2.648,1138 3.674,1139 2.672,1140 0.192,1141 0.153,1142 0.283,1143 0.175,1144 0.132,1145 4.409,1146 0.171,1147 3.508,1148 0.043,1149 6.518,1150 0.446,1151 4.029,1152 0.13,1153 3.045,1154 3.926,1155 0.98,1156 10.263,1157 2.998,1158 1.948,1159 1.922,1160 2.055,1161 2.05,1162 1.164,1163 2.049,1164 1.902,1165 1.873,1166 2.028,1167 1.982,1168 1.118,1169 2,1170 1.623,1171 1.584,1172 1.732,1173 1.819,1174 0.772,1175 1.799,1176 1.252,1177 1.183,1178 1.498,1179 1.499,1180 0.63,1181 1.499,1182 0.892,1183 0.853,1184 1.181,1185 1.115,1186 0.218,1187 1.114,1188 0.886,1189 0.821,1190 1.181,1191 1.062,1192 0.218,1193 1.107,1194 0.886,1195 0.821,1196 1.092,1197 1.062,1198 0.122,1199 1.107,1200 0.781,1201 0.72,1202 0.995,1203 1.032,1204 0.038,1205 1.017,1206 3.85,1208 5.118,1210 6.594,1212 8.161,1214 9.774,1222 0.652,1223 5.752,1231 23.94,1232 53.272,1233 110.844,1234 131.388,1235 154.608,1236 166.117,1237 168.117,1238 26.419,1239 6.612,1240 57.78,1241 57.78,1242 18,1243 11.997,1244 4,1245 3.322,1246 32.055,1247 64,1248 66,1249 0.239,1250 149.693,1251 261.81,1252 357.01,1253 6084,1255 14.493,1256 0.69,1257 0.543,1258 14.493,1259 11.413,1260 10.326,1261 0.449,1262 0.294,1263 6.693,1264 10.06,1265 6.555,1266 5.477,1267 10.326,1268 6.757,1269 8.822,1270 0.294,1271 0.157,1272 8.822,1273 4.7,1274 7.236,1275 0.19,1276 0.084,1277 7.236,1278 3.196,1279 5.911,1280 0.123,1281 0.045,1282 5.911,1283 2.157,1284 5.029,1285 0.082,1286 0.024,1287 5.029,1288 1.457,1289 0.368,1290 63.899,1291 0.251,1292 20.826,1293 0.676,1294 106,1295 296.046,1296 113.432,1297 294.797,1298 404.8,1299 276,1300 121,1301 298.778,1302 128.489,1303 305.551,1304 439.44,1305 288,1306 5} {0 CHEMBL2348748,1 1.517,2 7.647,3 1.797,4 3.23,5 67.405,6 7.166,7 0.333,8 3.548,9 3.685,10 3.075,11 3.081,12 4.667,13 3.051,14 4.034,15 4.221,16 3.353,17 3.416,18 5.123,19 3.355,20 4.262,21 4.502,22 3.381,23 3.482,24 5.331,25 3.4,26 4.18,27 4.42,28 3.258,29 3.37,30 5.232,31 3.293,32 4.127,33 4.359,34 3.23,35 3.293,36 5.267,37 3.226,38 4.066,39 4.311,40 2.987,41 3.16,42 5.14,43 3.071,44 3.891,45 4.158,46 2.593,47 2.967,48 4.832,49 2.823,50 3.658,51 3.927,52 2.243,53 2.77,54 4.559,55 2.579,56 0.048,57 0.48,58 6.765,59 2.773,60 5.402,61 3.82,62 0.128,63 0.721,64 11.849,65 4.472,66 14.38,67 6.405,68 0.2,69 0.819,70 16.04,71 5.436,72 28.14,73 7.986,74 0.139,75 0.749,76 14.803,77 4.669,78 22.228,79 6.966,80 0.186,81 0.708,82 14.097,83 4.268,84 28.877,85 6.387,86 0.186,87 0.649,88 13.529,89 3.686,90 29.375,91 5.606,92 0.163,93 0.51,94 11.549,95 3.509,96 24.447,97 5.21,98 0.09,99 0.382,100 9.003,101 3.354,102 17.834,103 4.778,104 8,105 23,106 0.287,107 0.658,108 0.786,109 0.831,110 0.847,111 0.847,112 2.908,113 0.95,114 -4.01,115 -3.96,116 -3.75,119 40.6,120 1,121 1,124 1,130 1,131 1,133 5,134 1,147 2,157 1,159 9,162 2,164 2,166 3,168 9,171 1,172 3,175 1,176 4,178 7,182 4,187 3,190 4,194 5,197 1,199 5,202 3,206 3,211 4,213 2,217 2,222 1,224 3,229 1,237 4,250 3,255 332,256 11.698,257 11.698,258 11.698,259 11.698,260 11.698,261 10.426,262 10.199,263 7.341,264 11.818,265 8.87,266 8.87,267 8.87,268 8.87,269 8.87,270 6.931,271 11.734,272 3.461,273 9.032,274 3.483,275 1.524,276 0.847,277 0.61,278 0.524,279 0.524,280 3.565,284 1,285 268,286 2.236,289 106.763,295 1.197,296 12.783,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 36.5,307 130,308 4.391,309 3.597,310 6.471,311 4.024,312 3.025,313 3.907,314 0.98,315 10.042,316 3.02,317 3.791,318 2.853,319 5.323,320 3.355,321 2.398,322 3.2,323 0.721,324 6.869,325 2.299,326 3.484,327 2.564,328 5.028,329 3.075,330 2.079,331 2.715,333 5.714,334 2.051,335 2.985,336 1.687,337 4.029,338 2.525,339 1.526,340 2.104,342 3.512,343 1.52,344 2.534,345 1.612,346 3.484,347 2.392,348 1.414,349 1.5,351 2.652,352 1.379,353 2.5,354 1.067,355 3.446,356 2,357 1,358 1.474,360 2.472,361 1,362 2.483,363 1,364 3.247,365 1.99,366 1,367 1.401,369 2.136,370 0.989,371 1.616,372 0.919,373 2.665,374 1.384,375 0.399,376 0.444,378 0.706,379 0.39,380 1.139,381 0.414,382 2.529,383 0.92,384 -0.103,385 -0.122,386 -0.196,387 -0.105,388 0.815,389 -0.359,390 2.128,391 0.373,392 -0.611,393 -0.753,394 -1.408,395 -0.598,396 0.5,397 -0.592,398 1.726,399 0.013,400 -1,401 -1.243,402 -1.984,403 -0.954,404 0.366,405 -0.871,406 1.555,408 -1,409 -1.265,411 -2.347,412 -1,413 0.262,414 -1,415 1.272,416 -0.043,417 -1,418 -1.5,420 -2.805,421 -1.006,422 -0.169,423 -1.137,424 1.068,425 -0.395,426 -1.414,427 -1.719,429 -3.252,430 -1.44,431 -0.5,432 -1.549,433 1,434 -0.819,435 -1.797,436 -2.133,438 -4.689,439 -1.731,440 8.033,441 0.473,442 0.277,443 0.016,444 20.75,445 1.221,446 10.5,447 0.618,448 10.25,449 0.603,450 11.242,451 0.661,452 18.367,453 0.574,454 13.255,455 0.78,456 4.278,457 0.252,458 4.031,459 0.237,460 0.104,462 0.249,466 0.698,467 1.14,468 0.836,469 1.031,470 0.577,471 0.959,472 0.616,473 1.154,474 0.892,475 1.094,476 0.565,477 1.039,478 0.819,479 0.963,480 0.842,481 0.925,482 0.812,483 0.892,484 1.14,485 1.062,486 0.957,487 0.962,488 0.991,489 0.928,490 1.216,491 1.155,492 0.992,493 1.003,494 1.179,495 0.969,496 1.658,497 1.077,498 1.27,499 0.996,500 1.52,501 1.054,502 1.44,503 0.856,504 1.25,505 0.947,506 1.439,507 1.051,508 0.955,509 0.885,510 1.129,511 1.128,512 1.186,513 1.165,514 2.5,515 0.012,516 1.556,517 0.875,518 0.724,519 0.424,520 0.242,521 0.102,522 0.033,523 0.026,524 2206,525 5614,526 2.028,527 46.9,528 3,529 8,532 2,534 2,536 1.572,537 1.925,538 2.954,539 0.411,541 1,542 1,543 1,545 48.536,546 1.517,547 3.476,548 4.153,549 4.39,550 4.476,551 4.476,552 2.469,553 3.735,554 4.053,555 3.026,556 411.506,557 6.868,558 3708.73,560 1,562 1,563 160,564 1.261,565 4.03,566 0.139,567 0.012,568 0.068,569 0.038,570 0.036,571 0.022,572 0.017,573 0.011,574 0.005,575 0.009,576 0.358,577 0.67,578 1,579 1.325,580 70.181,581 0.036,582 0.078,583 0.028,584 0.029,585 -0.034,586 0.025,587 0.169,588 -0.047,589 0.013,590 -0.075,591 0.08,592 -0.059,593 0.13,594 0.029,595 0.123,596 0.048,597 0.098,598 0.078,599 -0.103,600 -0.059,601 0.018,602 -0.014,603 -0.02,604 0.021,605 -0.005,606 -0.148,607 -0.001,608 -0.071,609 0.036,610 -0.04,611 -0.315,612 -0.065,613 -0.259,614 -0.109,615 -0.21,616 -0.161,617 -0.277,618 0.076,619 -0.249,620 -0.022,621 -0.227,622 -0.112,623 -0.088,624 -0.042,625 -0.166,626 -0.117,627 -0.079,628 -0.149,629 1.835,630 4.7,631 0.706,632 11.564,633 0.998,634 1.131,635 2.78,636 7.731,637 0.658,638 2.944,639 3.178,640 3.401,641 3.611,642 3.829,643 3.714,644 3.738,645 3.689,646 3.466,647 3.219,648 4.524,649 0.623,650 229.31,651 2.944,652 4.419,653 5.231,654 6.071,655 6.911,656 7.762,657 8.612,658 9.468,659 10.323,660 11.181,661 9.4,663 1,668 1,670 1,675 5,680 1,682 6,699 32,700 9,701 1,702 18,704 33,705 13,706 6,707 1,708 5,709 4,710 2,711 2,715 1,719 1,721 10,722 3,724 3,728 1,729 1,730 1,731 3,733 1,736 15,737 4,738 2,739 4,743 3,745 1,747 1,748 1,760 2,770 1,771 1,773 1,777 2,781 1,785 17,789 2,790 2,801 3.1,804 1,808 8.833,809 5.867,810 3.972,811 2.044,812 1.851,813 1.312,814 0.963,815 3.809,816 7.786,817 3.219,818 3.701,819 4.216,820 4.697,821 5.212,822 5.235,823 5.499,824 5.713,825 5.78,826 5.768,827 1,828 23,829 6.252,831 2.535,832 7.775,833 11.901,835 9.236,837 2.275,838 38.667,839 0.002,842 153.024,843 83.727,844 52.562,846 25.145,849 83.727,850 178.169,851 52.562,852 8.825,853 22.528,854 74.868,855 32.177,856 23.034,858 153.024,860 153.024,861 136.289,862 25.145,865 129.482,866 48.687,869 66.027,870 60.785,871 9.476,873 153.024,874 77.707,875 83.727,878 153.024,879 18.044,880 65.683,881 35.899,882 41.808,883 153.024,884 77.707,885 83.727,887 0.551,888 0.317,889 0.175,890 0.104,891 10,892 4,893 0.121,894 4,896 1,897 2.967,898 111.406,900 12,901 61.487,904 11.711,905 5.529,906 2.872,908 77.707,909 9.57,914 0.899,916 35.899,917 314.458,918 24,922 11.7,923 1.782,924 3.953,925 1.169,926 31.934,927 36.196,928 0.303,929 0.695,930 0.831,931 0.878,932 0.895,933 0.895,934 4.401,935 0.399,936 5.165,937 2.136,938 3.85,939 4.382,940 1.376,941 5.905,942 3.82,943 5.565,944 -0.103,945 6.673,946 0.706,947 3.219,948 3.922,950 6.698,951 3.192,952 6.84,953 -0.611,954 8.292,955 -0.196,956 5.352,957 6.445,958 1.219,959 9.808,960 5.296,961 8.153,962 -1,963 9.979,964 -1.408,965 5.602,966 6.833,968 11.496,969 5.564,970 9.503,971 -1,972 11.712,973 -1.984,974 7.157,975 8.789,976 1.115,977 14.096,978 7.093,979 10.877,980 -1,981 13.476,982 -2.347,983 7.843,984 9.6,986 16.145,987 7.801,988 12.272,989 -1.414,990 15.264,991 -2.805,992 9.14,993 11.283,994 1.046,995 18.564,996 9.08,997 3.025,998 -1.797,999 17.068,1000 -3.252,1001 10.045,1002 12.326,1004 20.764,1005 10.002,1006 2.398,1007 10.042,1008 18.885,1009 -4.689,1010 11.227,1011 13.866,1012 0.996,1013 23.115,1014 11.175,1015 2.079,1016 6.869,1017 20.712,1018 3.907,1019 12.237,1020 15.042,1022 25.377,1023 12.197,1024 1.526,1025 5.714,1026 22.547,1027 3.2,1028 13.372,1029 16.503,1030 0.957,1031 27.702,1032 13.327,1033 1.414,1034 3.512,1035 24.388,1036 2.715,1037 14.432,1038 17.756,1040 29.99,1041 14.395,1042 1,1043 2.652,1044 26.234,1045 2.104,1046 15.548,1047 19.173,1048 0.926,1049 32.304,1050 15.509,1051 1,1052 2.472,1053 28.084,1054 1.5,1055 16.632,1056 20.471,1058 34.603,1059 16.596,1060 2283,1061 3750,1062 12.019,1063 21.04,1064 26.235,1065 26.927,1066 26.497,1067 25.668,1068 25.684,1069 33.489,1070 3.402,1071 68.203,1072 25.298,1073 5.231,1074 5.597,1075 6.334,1076 5.061,1077 5.025,1078 6.907,1079 1.96,1080 16.671,1081 5.02,1082 6.934,1083 1.458,1084 1.496,1085 1.472,1086 1.426,1087 1.427,1088 1.86,1089 0.189,1090 3.789,1091 1.405,1092 3.973,1093 4.004,1094 3.925,1095 3.9,1096 7.429,1097 3.9,1098 3.731,1099 3.791,1100 3.654,1101 3.566,1102 4.834,1103 3.58,1104 3.567,1105 3.635,1106 3.408,1107 3.407,1108 4.688,1109 3.396,1110 3.116,1111 3.196,1112 2.998,1113 2.871,1114 4.162,1115 2.889,1116 2.915,1117 2.987,1118 2.82,1119 2.735,1120 3.869,1121 2.715,1122 2.854,1123 2.925,1124 2.687,1125 2.677,1126 3.737,1127 2.708,1128 2.754,1129 2.828,1130 2.533,1131 2.514,1132 3.674,1133 2.507,1134 2.515,1135 2.603,1136 2.36,1137 2.262,1138 3.351,1139 2.279,1140 0.244,1141 0.2,1142 0.359,1143 0.224,1144 0.168,1145 4.391,1146 0.217,1147 3.597,1148 0.054,1149 6.471,1150 0.558,1151 4.024,1152 0.168,1153 3.025,1154 3.907,1155 0.98,1156 10.042,1157 3.02,1158 1.941,1159 1.917,1160 2.044,1161 2.04,1162 1.168,1163 2.037,1164 1.686,1165 1.627,1166 1.928,1167 1.885,1168 1.119,1169 1.898,1170 1.552,1171 1.494,1172 1.709,1173 1.751,1174 0.745,1175 1.751,1176 1.056,1177 0.973,1178 1.39,1179 1.357,1180 0.505,1181 1.368,1182 0.886,1183 0.821,1184 1.181,1185 1.105,1186 0.218,1187 1.107,1188 0.84,1189 0.773,1190 1.077,1191 1.062,1192 0.136,1193 1.103,1194 0.713,1195 0.648,1196 0.976,1197 0.993,1199 0.997,1200 0.471,1201 0.373,1202 0.845,1203 0.764,1205 0.792,1206 3.611,1208 4.86,1210 6.326,1212 7.894,1214 9.515,1216 2.08,1222 1.856,1223 5.658,1231 19.94,1232 48.536,1233 111.229,1234 132.881,1235 140.49,1236 143.245,1237 143.245,1238 23.733,1239 5.935,1240 57.78,1241 57.78,1242 12,1243 11.734,1244 3.322,1245 2.807,1246 28.337,1247 44,1248 54,1249 0.32,1250 127.499,1251 223.79,1252 302.857,1253 2276,1255 12.088,1256 0.711,1257 0.573,1258 12.088,1259 9.734,1260 8.309,1261 0.462,1262 0.317,1263 5.635,1264 8.041,1265 5.496,1266 4.648,1267 8.309,1268 5.7,1269 6.861,1270 0.298,1271 0.165,1272 6.861,1273 3.789,1274 5.588,1275 0.193,1276 0.084,1277 5.588,1278 2.444,1279 4.422,1280 0.123,1281 0.044,1282 4.422,1283 1.582,1284 3.744,1285 0.083,1286 0.024,1287 3.744,1288 1.061,1289 0.484,1290 51.793,1291 0.288,1292 17.124,1293 0.923,1294 82,1295 240.046,1296 89.432,1297 235.754,1298 321.17,1299 220,1300 93,1301 236.778,1302 100.488,1303 239.818,1304 345.96,1305 226,1306 5} {0 CHEMBL2348749,1 1.517,2 7,3 1.797,4 3.23,5 67.405,6 7.166,7 0.333,8 3.548,9 3.685,10 3.075,11 3.081,12 4.667,13 3.051,14 4.034,15 4.221,16 3.353,17 3.416,18 5.131,19 3.355,20 4.262,21 4.501,22 3.376,23 3.485,24 5.309,25 3.401,26 4.176,27 4.42,28 3.286,29 3.399,30 5.16,31 3.322,32 4.156,33 4.381,34 3.311,35 3.386,36 5.262,37 3.317,38 4.192,39 4.427,40 3.113,41 3.321,42 5.28,43 3.223,44 4.086,45 4.354,46 2.656,47 3.121,48 5.062,49 2.949,50 3.807,51 4.116,52 2.035,53 2.752,54 4.663,55 2.501,56 0.048,57 0.48,58 6.765,59 2.773,60 5.402,61 3.82,62 0.128,63 0.721,64 11.849,65 4.472,66 15.63,67 6.405,68 0.209,69 0.823,70 16.058,71 5.424,72 29.501,73 7.987,74 0.129,75 0.774,76 14.607,77 4.586,78 16.437,79 7.004,80 0.161,81 0.763,82 14.141,83 4.445,84 22.626,85 6.715,86 0.188,87 0.733,88 15.161,89 4.548,90 31.687,91 6.687,92 0.183,93 0.591,94 14.142,95 4.603,96 31.946,97 6.651,98 0.121,99 0.402,100 11.016,101 3.892,102 24.808,103 5.655,104 8,105 23,106 0.287,107 0.658,108 0.786,109 0.831,110 0.847,111 0.847,112 2.908,113 0.95,114 -4.01,115 -3.96,116 -3.75,119 40.6,120 1,121 1,124 1,130 1,131 1,133 5,134 1,147 2,157 1,159 9,162 2,164 2,166 3,168 9,171 1,172 3,175 1,176 4,178 7,182 4,187 3,190 4,194 5,197 1,199 5,202 4,206 3,211 4,213 4,217 2,222 1,224 4,229 1,237 3,250 1,255 347,256 11.698,257 11.698,258 11.698,259 11.698,260 11.698,261 10.426,262 10.199,263 7.364,264 11.807,265 8.88,266 8.88,267 8.88,268 8.88,269 8.88,270 6.936,271 11.734,272 3.476,273 9.03,274 3.483,275 1.524,276 0.847,277 0.61,278 0.524,279 0.524,280 3.565,284 1,285 244,286 2.236,289 104.289,295 0.941,296 12.358,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 36.5,307 119,308 4.408,309 3.507,310 6.518,311 4.027,312 3.043,313 3.926,314 0.98,315 10.261,316 2.997,317 3.737,318 3.082,319 5.26,320 3.324,321 2.325,322 3.175,323 0.721,324 6.469,325 2.319,326 3.478,327 2.444,328 4.96,329 3.088,330 2.107,331 2.642,333 5.811,334 2.052,335 3.051,336 1.701,337 4.118,338 2.592,339 1.607,340 2.204,342 3.662,343 1.58,344 2.529,345 1.572,346 3.48,347 2.348,348 1.37,349 1.5,351 2.621,352 1.338,353 2.5,354 1.057,355 3.445,356 2,357 1,358 1.476,360 2.474,361 1,362 2.483,363 1,364 3.247,365 1.99,366 1,367 1.402,369 2.136,370 0.989,371 1.601,372 0.897,373 2.714,374 1.414,375 0.435,376 0.471,378 0.777,379 0.423,380 1.101,381 0.417,382 2.397,383 0.795,384 -0.209,385 -0.244,386 -0.379,387 -0.207,388 0.843,389 -0.339,390 2.207,391 0.463,392 -0.555,393 -0.728,394 -1.352,395 -0.561,396 0.5,397 -0.522,398 1.813,399 0.012,400 -1,401 -1.154,402 -1.974,403 -0.956,404 0.359,405 -0.904,406 1.555,408 -1,409 -1.308,411 -2.347,412 -1,413 0.277,414 -1,415 1.152,416 -0.044,417 -1,418 -1.5,420 -2.736,421 -1.007,422 -0.16,423 -1.154,424 1.098,425 -0.378,426 -1.389,427 -1.709,429 -3.176,430 -1.407,431 -0.5,432 -1.551,433 1,434 -0.846,435 -1.827,436 -2.056,438 -4.744,439 -1.744,440 8.033,441 0.473,442 0.277,443 0.016,444 20.75,445 1.221,446 10.5,447 0.618,448 10.25,449 0.603,450 11.354,451 0.668,452 18.367,453 0.574,454 13.294,455 0.782,456 4.278,457 0.252,458 4.031,459 0.237,460 0.104,462 0.249,466 0.698,467 1.14,468 0.836,469 1.031,470 0.577,471 0.959,472 0.616,473 1.154,474 0.892,475 1.094,476 0.546,477 1.039,478 0.837,479 0.982,480 0.851,481 0.908,482 0.856,483 0.888,484 0.948,485 1.065,486 0.915,487 0.919,488 0.653,489 0.895,490 0.969,491 1.181,492 0.99,493 1.051,494 0.743,495 1.014,496 1.556,497 1.077,498 1.275,499 1.09,500 1.501,501 1.129,502 1.406,503 0.895,504 1.266,505 1.077,506 1.596,507 1.15,508 0.965,509 0.818,510 1.049,511 1.045,512 1.315,513 1.079,514 2.5,516 1.556,517 0.875,518 0.724,519 0.424,520 0.262,521 0.13,522 0.033,523 0.016,524 2122,525 5534,526 2.028,527 46.9,528 3,529 8,532 2,534 2,536 1.576,537 1.925,538 2.832,539 0.411,541 1,542 1,543 1,545 48.536,546 1.517,547 3.476,548 4.153,549 4.39,550 4.476,551 4.476,552 2.228,553 3.735,554 4.054,555 2.91,556 395.746,557 6.889,558 3595.85,560 1,562 1,563 160,564 1.261,565 4.03,566 0.139,568 0.068,569 0.038,570 0.034,571 0.02,572 0.016,573 0.014,574 0.008,575 0.016,576 0.354,577 0.67,578 1,579 1.325,580 69.607,581 0.036,582 0.078,583 0.028,584 0.029,585 -0.034,586 0.025,587 0.169,588 -0.047,589 0.013,590 -0.075,591 0.1,592 -0.059,593 0.111,594 0.01,595 0.113,596 0.065,597 0.052,598 0.082,599 -0.084,600 -0.03,601 0.044,602 0.027,603 -0.015,604 0.057,605 0.023,606 -0.123,607 -0.031,608 -0.107,609 0.09,610 -0.076,611 -0.276,612 -0.076,613 -0.282,614 -0.167,615 -0.169,616 -0.211,617 -0.226,618 -0.019,619 -0.266,620 -0.125,621 -0.202,622 -0.189,623 -0.038,624 -0.07,625 -0.047,626 -0.058,627 -0.082,628 -0.06,629 1.856,630 4.344,631 0.706,632 10.907,633 0.998,634 1.131,635 2.78,636 7.731,637 0.658,638 2.944,639 3.178,640 3.401,641 3.638,642 3.871,643 3.761,644 3.738,645 3.638,646 3.401,647 3.091,648 4.315,649 0.623,650 229.31,651 2.944,652 4.419,653 5.231,654 6.075,655 6.919,656 7.775,657 8.63,658 9.491,659 10.35,660 11.212,661 9.4,663 1,668 1,670 1,675 5,680 1,682 6,699 32,700 9,701 1,702 18,704 33,705 13,706 6,707 1,708 5,709 4,710 2,711 2,715 1,719 1,721 10,722 3,724 3,728 1,729 1,730 1,731 3,733 1,736 15,737 4,738 2,739 4,743 3,745 1,747 1,748 1,760 2,770 1,771 1,773 1,777 2,781 1,785 17,789 2,790 2,801 3.1,804 1,808 8.833,809 5.867,810 3.972,811 2.044,812 1.851,813 1.312,814 0.963,815 3.809,816 7.786,817 3.219,818 3.701,819 4.216,820 4.715,821 5.228,822 5.241,823 5.478,824 5.654,825 5.712,826 5.519,827 0.8,828 23,829 6.246,831 2.525,832 7.775,833 11.901,835 9.236,837 2.275,838 38.667,839 0.002,842 153.024,843 83.727,844 52.562,846 25.145,849 83.727,850 178.169,851 52.562,852 8.825,853 22.528,854 74.868,855 32.177,856 23.034,858 153.024,860 153.024,861 136.289,862 25.145,865 129.482,866 48.687,869 66.027,870 60.785,871 9.476,873 153.024,874 77.707,875 83.727,878 153.024,879 18.044,880 65.683,881 35.899,882 41.808,883 153.024,884 77.707,885 83.727,887 0.549,888 0.313,889 0.179,890 0.112,891 10,892 4,893 0.121,894 4,896 1,897 2.941,898 112.439,900 12,901 65.487,904 11.711,905 5.529,906 2.872,908 77.707,909 9.769,914 0.99,916 35.899,917 314.458,918 24,922 11.344,923 1.57,924 4.044,925 1.367,926 31.934,927 36.196,928 0.303,929 0.695,930 0.831,931 0.878,932 0.895,933 0.895,934 4.401,935 0.435,936 5.165,937 2.136,938 3.85,939 4.382,940 1.376,941 5.911,942 3.82,943 5.565,944 -0.209,945 6.673,946 0.777,947 3.219,948 3.922,950 6.72,951 3.192,952 6.84,953 -0.555,954 8.293,955 -0.379,956 5.352,957 6.445,958 1.219,959 9.844,960 5.29,961 8.153,962 -1,963 9.983,964 -1.352,965 5.602,966 6.833,968 11.567,969 5.541,970 9.503,971 -1,972 11.72,973 -1.974,974 7.162,975 8.793,976 1.115,977 14.185,978 7.072,979 10.879,980 -1,981 13.491,982 -2.347,983 7.854,984 9.611,986 16.272,987 7.76,988 12.275,989 -1.389,990 15.286,991 -2.736,992 9.156,993 11.296,994 1.046,995 18.712,996 9.039,997 3.043,998 -1.827,999 17.099,1000 -3.176,1001 10.071,1002 12.351,1004 20.945,1005 9.943,1006 2.325,1007 10.261,1008 18.926,1009 -4.744,1010 11.26,1011 13.891,1012 0.996,1013 23.317,1014 11.112,1015 2.107,1016 6.469,1017 20.762,1018 3.926,1019 12.28,1020 15.081,1022 25.608,1023 12.12,1024 1.607,1025 5.811,1026 22.607,1027 3.175,1028 13.422,1029 16.542,1030 0.957,1031 27.954,1032 13.244,1033 1.37,1034 3.662,1035 24.459,1036 2.642,1037 14.492,1038 17.807,1040 30.267,1041 14.299,1042 1,1043 2.621,1044 26.315,1045 2.204,1046 15.615,1047 19.226,1048 0.926,1049 32.603,1050 15.406,1051 1,1052 2.474,1053 28.175,1054 1.5,1055 16.708,1056 20.535,1058 34.925,1059 16.483,1060 2205,1061 3666,1062 12.019,1063 21.04,1064 26.241,1065 26.855,1066 26.594,1067 25.745,1068 25.772,1069 33.592,1070 3.402,1071 68.422,1072 25.395,1073 5.284,1074 5.507,1075 6.379,1076 5.064,1077 5.043,1078 6.926,1079 1.96,1080 17.006,1081 4.997,1082 6.97,1083 1.458,1084 1.492,1085 1.477,1086 1.43,1087 1.432,1088 1.866,1089 0.189,1090 3.801,1091 1.411,1092 3.975,1093 4.007,1094 3.926,1095 3.901,1096 7.43,1097 3.901,1098 3.722,1099 3.78,1100 3.648,1101 3.559,1102 4.846,1103 3.574,1104 3.575,1105 3.642,1106 3.412,1107 3.411,1108 4.659,1109 3.4,1110 3.115,1111 3.197,1112 2.999,1113 2.842,1114 4.163,1115 2.87,1116 2.941,1117 3.003,1118 2.837,1119 2.759,1120 3.87,1121 2.77,1122 2.854,1123 2.925,1124 2.687,1125 2.735,1126 3.735,1127 2.715,1128 2.727,1129 2.814,1130 2.526,1131 2.446,1132 3.674,1133 2.449,1134 2.51,1135 2.607,1136 2.331,1137 2.276,1138 3.369,1139 2.29,1140 0.245,1141 0.195,1142 0.362,1143 0.224,1144 0.169,1145 4.408,1146 0.218,1147 3.507,1148 0.054,1149 6.518,1150 0.57,1151 4.027,1152 0.166,1153 3.043,1154 3.926,1155 0.98,1156 10.261,1157 2.997,1158 1.942,1159 1.917,1160 2.045,1161 2.041,1162 1.174,1163 2.04,1164 1.678,1165 1.621,1166 1.924,1167 1.875,1168 1.116,1169 1.89,1170 1.557,1171 1.5,1172 1.709,1173 1.761,1174 0.742,1175 1.758,1176 1.048,1177 0.959,1178 1.397,1179 1.362,1180 0.505,1181 1.375,1182 0.889,1183 0.838,1184 1.181,1185 1.113,1186 0.218,1187 1.113,1188 0.886,1189 0.821,1190 1.092,1191 1.062,1192 0.122,1193 1.107,1194 0.66,1195 0.572,1196 0.947,1197 0.976,1198 0.008,1199 0.969,1200 0.487,1201 0.393,1202 0.844,1203 0.781,1205 0.818,1206 3.611,1208 4.86,1210 6.326,1212 7.897,1214 9.524,1216 2.084,1222 1.841,1223 5.658,1231 19.94,1232 48.536,1233 111.229,1234 132.881,1235 140.49,1236 143.245,1237 143.245,1238 22.943,1239 5.935,1240 57.78,1241 57.78,1242 12,1243 11.762,1244 3.322,1245 2.807,1246 28.175,1247 41,1248 51,1249 0.336,1250 127.499,1251 223.79,1252 302.857,1253 2276,1255 12.088,1256 0.711,1257 0.573,1258 12.088,1259 9.734,1260 8.309,1261 0.462,1262 0.317,1263 5.635,1264 8.039,1265 5.496,1266 4.647,1267 8.309,1268 5.7,1269 6.882,1270 0.299,1271 0.165,1272 6.882,1273 3.787,1274 5.494,1275 0.189,1276 0.084,1277 5.494,1278 2.436,1279 4.452,1280 0.12,1281 0.044,1282 4.452,1283 1.619,1284 3.847,1285 0.082,1286 0.024,1287 3.847,1288 1.109,1289 0.5,1290 51.793,1291 0.288,1292 16.972,1293 1.002,1294 82,1295 240.046,1296 89.432,1297 235.721,1298 321.15,1299 220,1300 93,1301 236.778,1302 100.323,1303 239.722,1304 345.74,1305 226,1306 5} {0 CHEMBL2348750,1 1.469,2 10.182,3 1.98,4 3.922,5 88.293,6 6.782,7 0.25,8 3.867,9 4.011,10 3.358,11 3.378,12 4.871,13 3.342,14 4.427,15 4.63,16 3.654,17 3.767,18 5.379,19 3.693,20 4.715,21 4.975,22 3.664,23 3.893,24 5.608,25 3.772,26 4.686,27 4.963,28 3.513,29 3.791,30 5.529,31 3.651,32 4.615,33 4.902,34 3.48,35 3.657,36 5.543,37 3.538,38 4.479,39 4.76,40 3.35,41 3.524,42 5.399,43 3.418,44 4.308,45 4.571,46 3.194,47 3.418,48 5.216,49 3.309,50 4.23,51 4.49,52 3.089,53 3.378,54 5.103,55 3.247,56 0.064,57 0.673,58 10.134,59 3.902,60 6.499,61 5.662,62 0.206,63 1.063,64 18.657,65 6.351,66 18.344,67 9.63,68 0.319,69 1.251,70 25.787,71 8.618,72 33.433,73 13.065,74 0.202,75 1.159,76 25.153,77 8.245,78 28.005,79 12.742,80 0.316,81 1.064,82 23.932,83 6.933,84 38.916,85 11.065,86 0.278,87 0.942,88 20.943,89 5.65,90 31.953,91 9.157,92 0.214,93 0.818,94 17.407,95 4.854,96 26.429,97 7.8,98 0.226,99 0.756,100 15.948,101 4.886,102 23.478,103 7.642,104 2,105 31,106 0.258,107 0.578,108 0.711,109 0.811,110 0.822,111 0.822,112 3.146,113 0.993,114 -4.24,115 -4.17,116 -3.94,119 38.6,121 3,124 4,130 1,131 1,133 5,134 1,147 2,157 1,159 10,162 4,164 2,166 2,168 10,171 1,172 4,174 1,175 1,176 3,178 7,182 3,187 3,190 3,193 1,194 5,197 1,199 6,202 1,206 4,209 1,211 4,217 4,222 1,224 2,228 1,229 3,234 2,237 3,242 2,247 1,250 3,255 664,256 15.259,257 15.259,258 15.259,259 15.259,260 15.259,261 13.987,262 16.252,263 9.458,264 15.495,265 11.888,266 11.888,267 11.888,268 11.888,269 11.888,270 9.949,271 19.537,272 4.541,273 12.23,274 3.991,275 2.163,276 1.406,277 0.835,278 0.773,279 0.773,280 3.834,283 1,284 1,285 483,286 2.345,289 223.414,295 1.545,296 14.743,298 1,299 1,300 1,301 1,302 1,303 0.5,304 1,305 0.93,306 47,307 224,308 4.391,309 3.597,310 6.471,311 4.024,312 3.025,313 3.907,314 0.98,315 10.042,316 3.02,317 3.793,318 2.886,319 5.359,320 3.46,321 2.531,322 3.2,323 0.8,324 7.003,325 2.354,326 3.529,327 2.795,328 5.304,329 3.338,330 2.381,331 2.718,332 0.721,333 6.829,334 2.281,335 3.467,336 2.564,337 5.027,338 3.067,339 2.073,340 2.511,342 5.712,343 2.041,344 2.985,345 1.684,346 4.029,347 2.53,348 1.547,349 2.104,351 3.512,352 1.52,353 2.569,354 1.637,355 3.68,356 2.525,357 1.525,358 1.564,360 3.234,361 1.517,362 2.528,363 1.365,364 3.48,365 2.027,366 1.073,367 1.5,369 2.486,370 1.02,371 2.5,372 1.077,373 3.339,374 2,375 1,376 1.405,378 2.342,379 1,380 2.155,381 1.053,382 3.247,383 1.99,384 1,385 1.119,386 2.136,387 0.989,388 2,389 1,390 3.247,391 1.984,392 1,393 1,394 2.136,395 0.983,396 1.484,397 0.854,398 2.729,399 1.21,400 0.2,401 0.233,402 0.464,403 0.199,404 0.94,405 0.213,406 2.558,407 0.769,408 -0.218,409 -0.242,411 -0.507,412 -0.215,413 0.804,414 -0.361,415 2.21,416 0.369,417 -0.612,418 -0.713,420 -1.463,421 -0.598,422 0.5,423 -0.556,424 1.871,425 0.141,426 -0.852,427 -1,429 -1.864,430 -0.837,431 0.367,432 -0.784,433 1.555,435 -1,436 -1.03,438 -2.347,439 -0.946,440 10.433,441 0.474,442 0.346,443 0.016,444 24.5,445 1.114,446 10.5,447 0.477,448 14,449 0.636,450 17.835,451 0.811,452 24.367,453 0.554,454 16.128,455 0.733,456 4.856,457 0.221,458 5.971,459 0.271,460 0.032,462 0.23,466 0.745,467 1.337,468 0.878,469 1.141,470 0.538,471 1.039,472 0.849,473 1.182,474 1.022,475 1.097,476 0.541,477 1.073,478 0.829,479 0.935,480 0.961,481 0.982,482 0.703,483 0.984,484 0.873,485 1.099,486 0.932,487 1.054,488 0.764,489 1.006,490 1.045,491 0.979,492 0.886,493 0.876,494 0.977,495 0.86,496 1.401,497 0.963,498 1.008,499 0.839,500 1.291,501 0.863,502 1.478,503 1.048,504 1.14,505 0.93,506 1.413,507 0.977,508 1.145,509 0.995,510 1.151,511 0.995,512 1.146,513 1.057,514 3,515 0.033,516 1.778,517 0.938,518 0.716,519 0.514,520 0.261,521 0.075,522 0.164,523 0.107,524 5506,525 11814,526 2.125,527 50,528 2,529 14,532 2,534 4,536 1.641,537 2.063,538 3.334,539 0.304,540 1,541 1,543 1,545 64.621,546 1.469,547 3.296,548 4.053,549 4.624,550 4.687,551 4.687,552 2.738,553 3.823,554 4.431,555 3.473,556 802.257,557 7.591,558 9117.09,560 1,562 1,563 240.215,564 1.023,565 4.423,566 0.125,567 0.003,568 0.057,569 0.031,570 0.029,571 0.021,572 0.012,573 0.004,574 0.01,575 0.007,576 0.3,577 0.33,578 1,579 0.405,580 102.819,581 0.051,582 -0.06,583 0.056,584 -0.02,585 0.028,586 0.01,587 0.051,588 -0.022,589 -0.062,590 -0.067,591 0.086,592 -0.076,593 0.091,594 0.071,595 0.01,596 0.002,597 0.114,598 -0.002,599 -0.002,600 -0.154,601 0.037,602 -0.078,603 0.068,604 -0.023,605 0.082,606 -0.036,607 0.121,608 0.04,609 0.104,610 0.079,611 -0.117,612 0.013,613 0.016,614 0.053,615 -0.072,616 0.052,617 -0.238,618 -0.032,619 -0.129,620 -0.012,621 -0.213,622 -0.049,623 -0.076,624 0.02,625 -0.163,626 -0.042,627 -0.147,628 -0.102,629 1.826,630 4.939,631 0.818,632 18.579,633 0.993,634 1.135,635 3.005,636 9.03,637 0.644,638 3.219,639 3.466,640 3.689,641 3.892,642 4.094,643 3.97,644 4.025,645 4.06,646 4.094,647 4.111,648 6.041,649 0.603,650 298.43,651 3.219,652 4.71,653 5.525,654 6.361,655 7.194,656 8.036,657 8.876,658 9.722,659 10.565,660 11.414,661 9.1,663 1,664 1,668 1,670 1,675 5,680 1,682 6,699 44,700 9,701 1,702 24,704 46,705 17,706 6,707 1,708 5,709 4,710 3,711 3,716 3,719 3,721 10,722 7,724 3,728 1,729 1,730 1,731 3,732 1,733 1,736 22,737 5,738 2,739 5,743 4,745 1,747 1,748 1,760 3,770 1,771 1,773 1,774 1,777 3,785 22,789 7,790 2,794 1,801 2.3,804 1,808 10.667,809 7.567,810 4.972,811 2.844,812 1.712,813 1.256,814 0.981,815 5.119,816 8.388,817 3.434,818 3.882,819 4.353,820 4.801,821 5.285,822 5.307,823 5.578,824 5.808,825 5.961,826 6.03,827 0.857,828 30,829 8.152,831 3.385,832 7.598,833 15.984,835 13.058,837 2.098,838 46.167,839 0.001,842 235.422,843 86.288,844 55.686,846 25.145,849 86.288,850 260.567,851 55.686,853 33.915,854 74.868,855 32.177,856 26.158,858 235.422,860 235.422,861 141.974,862 25.145,865 188.338,866 72.229,869 71.713,870 60.785,871 9.476,873 235.422,874 80.831,875 86.288,878 235.422,879 29.43,880 59.982,881 35.899,882 41.808,883 235.422,884 80.831,885 86.288,887 0.56,888 0.321,889 0.174,890 0.097,891 14,892 5,893 0.109,894 5,896 1,897 3.605,898 162.043,900 18,901 90.107,904 15.104,905 7.455,906 4.115,908 80.831,909 9.665,914 0.908,916 35.899,917 402.541,918 30,922 11.939,923 1.824,924 4.08,925 1.208,926 43.687,927 49.939,928 0.269,929 0.604,930 0.742,931 0.847,932 0.858,933 0.858,934 4.64,935 1,936 5.451,937 2.486,938 4.143,939 4.564,940 1.593,941 6.168,942 4.092,943 5.772,944 1,945 6.942,946 2.342,947 3.434,948 4.034,949 0.325,950 6.88,951 3.357,952 7.029,953 1,954 8.538,955 2.136,956 5.631,957 6.547,958 1.347,959 9.982,960 5.532,961 8.319,962 0.2,963 10.201,964 2.136,965 5.802,966 6.896,967 0.268,968 11.612,969 5.698,970 9.648,971 -0.218,972 11.909,973 0.464,974 7.399,975 8.841,976 1.2,977 14.195,978 7.273,979 11.003,980 -0.612,981 13.651,982 -0.507,983 8.015,984 9.631,985 0.188,986 16.21,987 7.901,988 12.38,989 -0.852,990 15.417,991 -1.463,992 9.334,993 11.308,994 1.103,995 18.616,996 9.203,997 3.025,998 -1,999 17.201,1000 -1.864,1001 10.183,1002 12.341,1003 0.125,1004 20.798,1005 10.073,1006 2.531,1007 10.042,1008 19,1009 -2.347,1010 11.373,1011 13.877,1012 1.035,1013 23.141,1014 11.253,1015 2.381,1016 7.003,1017 20.811,1018 3.907,1019 12.345,1020 15.049,1021 0.082,1022 25.395,1023 12.245,1024 2.073,1025 6.829,1026 22.631,1027 3.2,1028 13.478,1029 16.507,1030 0.984,1031 27.714,1032 13.375,1033 1.547,1034 5.712,1035 24.459,1036 2.718,1037 14.514,1038 17.759,1039 0.054,1040 29.999,1041 14.426,1042 1.525,1043 3.512,1044 26.294,1045 2.511,1046 15.624,1047 19.175,1048 0.943,1049 32.31,1050 15.537,1051 1.073,1052 3.234,1053 28.135,1054 2.104,1055 16.692,1056 20.472,1057 0.035,1058 34.607,1059 16.616,1060 5271,1061 7892,1062 16.583,1063 28.33,1064 35.303,1065 35.799,1066 34.99,1067 34.768,1068 34.713,1069 42.523,1070 5.002,1071 91.788,1072 33.849,1073 5.391,1074 5.597,1075 6.273,1076 5.066,1077 5.025,1078 6.907,1079 1.96,1080 16.671,1081 5.02,1082 5.716,1083 1.471,1084 1.492,1085 1.458,1086 1.449,1087 1.446,1088 1.772,1089 0.208,1090 3.824,1091 1.41,1092 3.979,1093 4.014,1094 3.928,1095 3.901,1096 7.429,1097 3.901,1098 3.855,1099 3.92,1100 3.725,1101 3.698,1102 4.834,1103 3.694,1104 3.706,1105 3.761,1106 3.636,1107 3.542,1108 4.688,1109 3.56,1110 3.452,1111 3.525,1112 3.302,1113 3.266,1114 4.337,1115 3.262,1116 3.111,1117 3.206,1118 2.959,1119 2.941,1120 3.995,1121 2.91,1122 3.062,1123 3.14,1124 2.866,1125 2.821,1126 3.869,1127 2.843,1128 2.915,1129 2.987,1130 2.82,1131 2.735,1132 3.674,1133 2.715,1134 2.854,1135 2.925,1136 2.687,1137 2.677,1138 3.577,1139 2.707,1140 0.183,1141 0.15,1142 0.27,1143 0.168,1144 0.126,1145 4.391,1146 0.163,1147 3.597,1148 0.041,1149 6.471,1150 0.418,1151 4.024,1152 0.126,1153 3.025,1154 3.907,1155 0.98,1156 10.042,1157 3.02,1158 1.941,1159 1.917,1160 2.062,1161 2.049,1162 1.413,1163 2.052,1164 1.833,1165 1.766,1166 2.041,1167 2.014,1168 1.132,1169 2.025,1170 1.646,1171 1.599,1172 1.805,1173 1.846,1174 1.052,1175 1.837,1176 1.433,1177 1.363,1178 1.654,1179 1.655,1180 0.825,1181 1.664,1182 1.153,1183 1.064,1184 1.513,1185 1.376,1186 0.734,1187 1.429,1188 0.991,1189 0.911,1190 1.304,1191 1.287,1192 0.55,1193 1.292,1194 0.886,1195 0.821,1196 1.181,1197 1.105,1198 0.218,1199 1.107,1200 0.846,1201 0.775,1202 1.089,1203 1.062,1204 0.188,1205 1.103,1206 3.892,1208 5.153,1210 6.621,1212 8.179,1214 9.781,1222 8.191,1223 5.88,1227 2.473,1231 26.542,1232 64.621,1233 145.038,1234 178.341,1235 203.46,1236 206.215,1237 206.215,1238 31.32,1239 6.676,1240 61.02,1241 61.02,1242 18,1243 11.974,1244 3.322,1245 2.807,1246 34.629,1247 79,1248 76,1249 0.211,1250 165.269,1251 291.63,1252 395.017,1253 6826,1255 15.2,1256 0.691,1257 0.578,1258 15.2,1259 12.717,1260 10.826,1261 0.451,1262 0.331,1263 7.845,1264 10.452,1265 7.716,1266 6.405,1267 10.826,1268 7.942,1269 9.153,1270 0.295,1271 0.184,1272 9.153,1273 5.691,1274 7.571,1275 0.194,1276 0.104,1277 7.571,1278 4.071,1279 6.1,1280 0.127,1281 0.059,1282 6.1,1283 2.854,1284 5.014,1285 0.085,1286 0.033,1287 5.014,1288 1.972,1289 0.335,1290 67.511,1291 0.246,1292 22.114,1293 0.564,1294 110,1295 287.691,1296 119.514,1297 281.028,1298 384.95,1299 264,1300 125,1301 282.89,1302 135.014,1303 286.002,1304 414.08,1305 270,1306 5} {0 CHEMBL239698,1 1.663,2 6.545,3 2.567,4 6.592,5 77.977,6 9.396,7 0.731,8 3.643,9 3.725,10 3.4,11 3.245,12 4.909,13 3.282,14 4.132,15 4.22,16 3.865,17 3.704,18 5.447,19 3.73,20 4.361,21 4.485,22 3.918,23 3.795,24 5.654,25 3.809,26 4.385,27 4.517,28 3.949,29 3.798,30 5.78,31 3.817,32 4.359,33 4.499,34 3.843,35 3.683,36 5.753,37 3.698,38 4.23,39 4.392,40 3.482,41 3.389,42 5.643,43 3.392,44 3.935,45 4.119,46 3.05,47 2.958,48 5.466,49 2.932,50 3.434,51 3.661,52 2.141,53 2.178,54 4.981,55 2.11,56 0.134,57 0.471,58 3.534,59 2.316,60 13.856,61 1.962,62 0.233,63 0.771,64 5.657,65 3.95,66 17.723,67 3.783,68 0.405,69 0.944,70 10.108,71 5.426,72 46.231,73 5.198,74 0.433,75 0.969,76 10.715,77 5.479,78 58.621,79 5.519,80 0.399,81 0.922,82 10.887,83 5.609,84 42.418,85 5.819,86 0.476,87 0.784,88 11.352,89 4.856,90 58.222,91 4.335,92 0.479,93 0.539,94 10.4,95 4.106,96 66.387,97 4.386,98 0.355,99 0.313,100 7.831,101 2.575,102 55.293,103 2.682,104 10,105 41,106 0.3,107 0.662,108 0.803,109 0.883,110 0.894,111 0.894,112 3.151,113 0.782,114 -2.04,115 -2.09,116 -2.08,119 51.6,133 5,134 3,135 1,142 1,143 4,147 2,159 5,162 4,164 2,166 6,168 4,171 1,172 3,174 2,176 7,178 5,181 2,182 3,187 3,190 6,194 6,197 1,198 2,199 4,202 4,206 5,209 1,211 1,213 3,217 2,220 2,221 1,222 2,224 1,229 1,232 1,234 1,255 498,256 15.016,257 15.016,258 15.016,259 15.016,260 15.016,261 12.71,262 7.709,263 8.391,264 15.205,265 12.854,266 12.854,267 12.854,268 12.854,269 12.854,270 9.105,271 6.014,272 3.989,273 13.174,274 3.292,275 1.286,276 0.504,277 0.065,280 3.862,283 1,284 1,285 329,286 2.345,288 71.059,289 57.316,291 166.475,294 167.891,295 0.95,296 29.884,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 48.5,307 144,308 4.958,309 3.854,310 7.321,311 4.491,312 3.512,313 5.089,314 1.2,315 13.198,316 3.44,317 4.426,318 3.305,319 6.61,320 3.963,321 2.984,322 4.297,323 0.8,324 10.511,325 2.919,326 4.152,327 3.247,328 6.329,329 3.703,330 2.729,331 3.728,333 9.464,334 2.646,335 3.777,336 2.846,337 5.782,338 3.32,339 2.348,340 3.316,342 7.596,343 2.282,344 3.441,345 2.466,346 5.034,347 2.996,348 2.018,349 2.799,351 5.838,352 1.962,353 3.223,354 2.16,355 5,356 2.749,357 1.761,358 2.475,360 5.399,361 1.736,362 3.174,363 1.959,364 4.914,365 2.685,366 1.685,367 2.346,369 4.989,370 1.662,371 2.874,372 1.492,373 4.506,374 2.384,375 1.397,376 2.004,378 4.056,379 1.375,380 2.508,381 1.101,382 3.871,383 1.985,384 0.992,385 1.485,386 2.392,387 0.981,388 2.24,389 0.833,390 3.638,391 1.712,392 0.75,393 1.109,394 2.118,395 0.719,396 2.015,397 0.765,398 3.37,399 1.513,400 0.549,401 0.789,402 1.493,403 0.528,404 1.235,405 0.603,406 2.878,407 0.752,408 -0.212,409 -0.286,411 -0.562,412 -0.2,413 1,414 0.214,415 2.595,416 0.523,417 -0.5,418 -0.695,420 -1.301,421 -0.494,422 0.951,423 -0.074,424 2.401,425 0.478,426 -0.577,427 -0.838,429 -1.456,430 -0.609,431 0.623,432 -0.753,433 2.344,434 0.135,435 -0.834,436 -1.2,438 -2.386,439 -0.803,440 10.2,441 0.464,442 0.696,443 0.032,444 33,445 1.5,446 17.5,447 0.795,448 15.5,449 0.705,450 13.673,451 0.621,452 21.6,453 0.697,454 23.736,455 1.079,456 6.57,457 0.299,458 4.078,459 0.185,460 0.098,462 0.529,466 0.819,467 1.049,468 0.624,469 0.73,470 0.644,471 0.631,472 0.561,473 1.153,474 0.613,475 0.921,476 0.494,477 0.818,478 0.906,479 0.925,480 0.897,481 0.924,482 0.93,483 0.915,484 0.758,485 1.073,486 0.805,487 0.952,488 0.667,489 0.897,490 0.867,491 1.125,492 0.92,493 1.185,494 0.924,495 1.105,496 1.452,497 1.02,498 1.404,499 1.152,500 1.462,501 1.224,502 1.212,503 0.902,504 1.312,505 1.153,506 1.424,507 1.254,508 1.661,509 0.768,510 1.651,511 1.047,512 1.608,513 1.271,514 4,516 2.667,517 2.229,518 1.95,519 1.122,520 0.497,521 0.237,522 0.052,524 4392,525 13936,526 2.229,527 29,529 5,530 1,532 3,536 1.657,537 2.063,538 2.727,539 1.069,541 1,543 1,545 51.541,546 1.663,547 3.668,548 4.451,549 4.89,550 4.954,551 4.954,552 2.117,553 4.187,554 4.435,555 2.805,556 647.984,557 7.677,558 6640.8,559 1,560 1,562 1,563 153.58,564 1.423,565 4.387,566 0.154,568 0.065,569 0.053,570 0.045,571 0.03,572 0.021,573 0.017,574 0.013,576 0.398,577 0.67,578 0.88,579 0.595,580 95.656,581 -0.161,582 -0.002,583 -0.018,584 0.119,585 -0.109,586 0.11,587 0.068,588 -0.125,589 0.021,590 -0.061,591 0.044,592 -0.048,593 -0.059,594 0.065,595 -0.062,596 0.005,597 -0.108,598 -0.026,599 0.055,600 -0.072,601 0.056,602 -0.024,603 0.11,604 0.011,605 0.045,606 -0.161,607 0.02,608 -0.23,609 0.009,610 -0.15,611 -0.266,612 -0.054,613 -0.321,614 -0.167,615 -0.199,616 -0.225,617 0.119,618 -0.03,619 -0.029,620 -0.072,621 0.014,622 -0.097,623 -0.085,624 0.088,625 -0.112,626 0.107,627 0.033,628 0.03,629 2.079,630 5.26,631 0.864,632 12.331,633 1.03,634 1.109,635 0.807,636 0.651,637 0.731,638 3.296,639 3.738,640 4.159,641 4.605,642 4.927,643 5.187,644 5.447,645 5.656,646 5.724,647 5.784,648 4.154,649 0.735,650 291.28,651 3.296,652 4.905,653 5.838,654 6.799,655 7.755,656 8.723,657 9.687,658 10.657,659 11.624,660 12.595,661 9.7,668 1,669 2,674 5,675 6,677 1,680 3,682 19,696 1,699 31,700 21,701 1,702 26,704 35,705 16,706 14,707 3,708 3,709 2,710 5,711 17,721 16,724 2,728 2,731 2,732 1,733 1,736 9,737 4,738 3,739 6,743 3,746 1,747 0.2,748 3,754 1,756 2,759 3,760 2,762 4,765 3,777 1,785 22,788 1,790 1,801 9.7,803 1,804 2,808 10.667,809 5.733,810 4.528,811 1.8,812 4.311,813 1.532,814 1.12,815 2.051,816 12.414,817 3.651,818 4.431,819 5.227,820 6.044,821 6.75,822 7.378,823 8.003,824 8.577,825 8.985,826 9.4,827 1,828 42,829 8.164,831 3.865,832 8.03,833 15.125,835 13.495,837 2.53,838 55.667,842 70.627,843 83.359,844 36.083,846 92.973,849 83.359,850 163.6,851 36.083,853 18.011,854 56.429,855 102.382,856 26.404,857 20.96,858 58.856,860 70.627,861 119.441,862 92.973,865 70.627,866 92.973,869 36.083,870 83.359,873 70.627,874 129.056,875 83.359,878 70.627,879 26.93,880 57.715,881 34.796,882 92.973,883 70.627,884 129.056,885 83.359,887 0.608,888 0.378,889 0.233,890 0.135,891 26,892 11,895 4,896 1.421,897 3.278,898 209.146,899 0.421,900 19,901 98.107,904 11.974,905 3.768,906 1.356,907 3.773,908 110.984,909 10.407,911 3.276,914 0.796,916 77.48,917 283.041,918 37.5,922 24.404,925 -0.817,926 31.938,927 34.369,928 0.336,929 0.74,930 0.898,931 0.987,932 1,933 1,934 4.933,935 1.397,936 5.878,937 4.989,938 4.419,939 5.118,940 1.641,941 6.836,942 4.372,943 6.221,944 0.992,945 7.521,946 4.056,947 4.205,948 5.231,950 7.978,951 4.139,952 7.598,953 0.75,954 9.264,955 2.392,956 6.146,957 7.575,958 1.786,959 11.197,960 6.053,961 9.017,962 0.549,963 11.065,964 2.118,965 6.758,966 8.534,968 13.19,969 6.645,970 10.469,971 -0.212,972 12.904,973 1.493,974 8.21,975 10.381,976 2.014,977 15.945,978 8.074,979 11.947,980 -0.5,981 14.771,982 -0.562,983 9.182,984 11.712,986 18.282,987 9.026,988 13.446,989 -0.577,990 16.657,991 -1.301,992 10.471,993 13.39,994 2.296,995 20.896,996 10.294,997 3.512,998 -0.834,999 18.56,1000 -1.456,1001 11.596,1002 14.883,1004 23.371,1005 11.4,1006 2.984,1007 13.198,1008 20.475,1009 -2.386,1010 12.838,1011 16.507,1012 2.61,1013 25.947,1014 12.621,1015 2.729,1016 10.511,1017 22.4,1018 5.089,1019 14.027,1020 18.069,1022 28.478,1023 13.791,1024 2.348,1025 9.464,1026 24.334,1027 4.297,1028 15.26,1029 19.68,1030 2.943,1031 31.046,1032 15.005,1033 2.018,1034 7.596,1035 26.275,1036 3.728,1037 16.478,1038 21.272,1040 33.602,1041 16.203,1042 1.761,1043 5.838,1044 28.223,1045 3.316,1046 17.714,1047 22.884,1048 3.287,1049 36.172,1050 17.419,1051 1.685,1052 5.399,1053 30.175,1054 2.799,1055 18.947,1056 24.49,1058 38.739,1059 18.632,1060 4080,1061 7361,1062 17.63,1063 22.665,1064 41.848,1065 43.297,1066 43.368,1067 41.427,1068 41.45,1069 58.872,1070 4,1071 134.109,1072 40.498,1073 5.799,1074 5.854,1075 6.792,1076 5.555,1077 5.512,1078 8.089,1079 2.4,1080 21.198,1081 5.44,1082 9.589,1083 1.61,1084 1.665,1085 1.668,1086 1.593,1087 1.594,1088 2.264,1089 0.154,1090 5.158,1091 1.558,1092 4.304,1093 4.333,1094 4.286,1095 4.208,1096 7.45,1097 4.224,1098 3.915,1099 3.948,1100 3.875,1101 3.805,1102 7.408,1103 3.817,1104 3.649,1105 3.673,1106 3.613,1107 3.483,1108 6.471,1109 3.508,1110 3.379,1111 3.417,1112 3.317,1113 3.217,1114 5.055,1115 3.238,1116 2.985,1117 3.029,1118 2.919,1119 2.823,1120 4.688,1121 2.831,1122 2.87,1123 2.862,1124 2.827,1125 2.572,1126 4.121,1127 2.639,1128 2.674,1129 2.731,1130 2.576,1131 2.497,1132 4.014,1133 2.498,1134 2.628,1135 2.664,1136 2.53,1137 2.411,1138 3.692,1139 2.449,1140 0.191,1141 0.148,1142 0.282,1143 0.173,1144 0.135,1145 4.958,1146 0.196,1147 3.854,1148 0.046,1149 7.321,1150 0.508,1151 4.491,1152 0.132,1153 3.512,1154 5.089,1155 1.2,1156 13.198,1157 3.44,1158 1.999,1159 1.986,1160 2.035,1161 2.091,1162 1.269,1163 2.067,1164 1.88,1165 1.849,1166 1.945,1167 2.013,1168 1.079,1169 2.002,1170 1.524,1171 1.484,1172 1.68,1173 1.689,1174 0.732,1175 1.675,1176 1.318,1177 1.291,1178 1.401,1179 1.599,1180 0.419,1181 1.553,1182 1.133,1183 1.099,1184 1.264,1185 1.378,1186 0.307,1187 1.348,1188 1.014,1189 0.964,1190 1.183,1191 1.215,1192 0.164,1193 1.201,1194 0.858,1195 0.85,1196 1,1197 1.068,1198 0.069,1199 1.029,1200 0.667,1201 0.601,1202 0.893,1203 0.946,1205 0.947,1206 3.97,1208 5.38,1209 3.434,1210 6.984,1211 5.861,1212 8.689,1213 8.032,1214 10.455,1221 9.761,1223 2.35,1231 22.789,1232 51.541,1233 113.706,1234 137.97,1235 151.58,1236 153.58,1237 153.58,1238 35.213,1239 8.103,1240 90.36,1241 90.36,1242 27,1243 13.072,1244 4.459,1245 3.644,1246 26.575,1247 56,1248 55,1249 0.252,1250 133.306,1251 215.57,1252 317.027,1253 33595,1255 15.008,1256 0.682,1257 0.508,1258 15.008,1259 11.175,1260 10.648,1261 0.41,1262 0.261,1263 6.681,1264 10.232,1265 6.601,1266 5.378,1267 10.648,1268 6.781,1269 10.423,1270 0.254,1271 0.131,1272 10.423,1273 5.375,1274 9.49,1275 0.151,1276 0.066,1277 9.49,1278 4.184,1279 9.137,1280 0.092,1281 0.034,1282 9.137,1283 3.319,1284 7.813,1285 0.057,1286 0.017,1287 7.813,1288 2.329,1289 0.363,1290 66.973,1291 0.238,1292 20.405,1293 0.808,1294 134,1295 407.932,1296 147.388,1297 395.2,1298 549.88,1299 368,1300 171,1301 420.683,1302 184.918,1303 423.997,1304 639.51,1305 402,1306 6.699} {0 CHEMBL269538,1 1.481,2 6.313,3 2.439,4 5.948,5 62.37,6 7.581,7 0.833,8 3.458,9 3.567,10 3.061,11 3.037,12 4.572,13 3.023,14 3.954,15 4.112,16 3.417,17 3.409,18 4.999,19 3.388,20 4.066,21 4.227,22 3.445,23 3.504,24 5.116,25 3.461,26 4.131,27 4.322,28 3.256,29 3.475,30 5.107,31 3.376,32 4.096,33 4.36,34 2.892,35 3.25,36 4.917,37 3.093,38 3.765,39 4.036,40 2.571,41 2.879,42 4.615,43 2.737,44 3.481,45 3.76,46 2.161,47 2.445,48 4.317,49 2.283,50 2.913,51 3.134,52 1.653,53 2.004,54 3.807,55 1.881,56 0.013,57 0.4,58 5.451,59 2.465,60 5.222,61 3.117,62 0.089,63 0.636,64 10.275,65 4.081,66 11.425,67 5.212,68 0.12,69 0.735,70 11.305,71 4.441,72 12.631,73 5.733,74 0.138,75 0.758,76 12.523,77 4.973,78 14.057,79 6.705,80 0.093,81 0.67,82 13.807,83 5.388,84 14.779,85 7.58,86 0.084,87 0.49,88 9.981,89 3.535,90 12.388,91 5.03,92 0.119,93 0.327,94 7.958,95 2.829,96 11.667,97 3.937,98 0.085,99 0.18,100 4.314,101 1.457,102 7.621,103 1.771,104 6,105 26,106 0.283,107 0.652,108 0.786,109 0.854,110 0.854,111 0.854,112 2.856,113 0.867,114 -2.52,115 -2.55,116 -2.49,119 46.4,120 1,123 1,133 4,134 2,135 1,136 1,137 1,143 2,159 4,162 4,166 3,168 5,172 2,174 1,176 3,178 5,182 2,185 1,187 1,190 4,194 3,202 2,206 2,213 1,216 1,217 1,255 188,256 11.025,257 11.025,258 11.025,259 11.025,260 11.025,261 9.318,262 6.739,263 6.343,264 11.324,265 8.82,266 8.82,267 8.82,268 8.82,269 8.82,270 6.189,271 6.122,272 2.921,273 9.203,274 3.326,275 1.397,276 0.697,277 0.34,278 0.34,279 0.34,280 3.532,284 1,285 220,286 2,288 19.432,289 56.361,291 79.753,295 1.102,296 8.006,299 1,300 1,301 1,302 0.6,303 0.5,304 1,305 0.87,306 34,307 101,308 4.746,309 3.286,310 6.847,311 4.237,312 3.257,313 4.848,314 0.86,315 11.399,316 3.192,317 4.04,318 2.834,319 5.938,320 3.574,321 2.61,322 3.715,324 8.223,325 2.516,326 3.605,327 2.475,328 5.342,329 3.175,330 2.226,331 3.024,333 6.71,334 2.106,335 3.285,336 1.866,337 4.968,338 2.775,339 1.811,340 2.652,342 5.447,343 1.74,344 2.898,345 1.512,346 4.357,347 2.374,348 1.43,349 2.084,351 3.916,352 1.347,353 2.768,354 1.32,355 3.839,356 2.278,357 1.295,358 1.891,360 3.087,361 1.271,362 2.018,363 1.042,364 3.203,365 1.554,366 0.62,367 0.828,369 1.399,370 0.574,371 1.599,372 0.587,373 2.831,374 1.273,375 0.384,376 0.461,378 0.64,379 0.34,380 1.084,381 -0.078,382 2.407,383 0.674,384 -0.287,385 -0.378,386 -0.636,387 -0.275,388 0.804,389 -0.392,390 2.3,391 0.3,392 -0.666,393 -0.899,394 -1.649,395 -0.633,396 0.653,397 -0.713,398 2.245,399 0.204,400 -0.755,401 -1.085,402 -2.02,403 -0.721,404 0.316,405 -1.1,406 2,407 -0.191,408 -1.173,409 -1.71,411 -3.398,412 -1.151,413 -0.052,414 -1.154,415 1.58,416 -0.396,417 -1.355,418 -1.772,420 -3.723,421 -1.283,422 -0.296,423 -1.307,424 1.263,425 -0.692,426 -1.581,427 -1.999,429 -4.21,430 -1.412,431 -0.415,432 -1.873,433 1.189,434 -0.911,435 -1.891,436 -2.807,438 -5.606,439 -1.79,440 7.633,441 0.477,442 0.38,443 0.024,444 23,445 1.438,446 12.5,447 0.781,448 10.5,449 0.656,450 9.502,451 0.594,452 16.367,453 0.585,454 13.317,455 0.832,456 4.676,457 0.292,458 3.116,459 0.195,460 0.131,462 0.393,466 0.909,467 1.182,468 0.752,469 0.994,470 0.9,471 0.872,472 1.268,473 1.008,474 0.757,475 0.771,476 0.981,477 0.714,478 1.15,479 1.012,480 1.011,481 0.946,482 1.057,483 0.952,484 0.868,485 1.159,486 1.229,487 1.216,488 1.036,489 1.255,490 0.705,491 1.028,492 0.983,493 1.103,494 0.782,495 1.087,496 0.891,497 0.97,498 1.038,499 1.031,500 1.029,501 1.037,502 1.031,503 0.861,504 0.967,505 1.039,506 0.839,507 1.015,508 2.57,509 0.888,510 1.499,511 0.919,512 2.101,513 1.087,514 3,516 2,517 1.514,518 0.902,519 0.403,520 0.258,521 0.072,522 0.031,524 1856,525 4685,526 2.135,527 42.9,529 7,531 1,532 1,533 3,536 1.555,537 2,538 2.696,539 -0.291,541 1,543 1,545 41.481,546 1.481,547 3.41,548 4.111,549 4.468,550 4.468,551 4.468,552 2.203,553 3.5,554 3.971,555 2.749,556 329.907,557 6.704,558 2721.73,560 1,562 1,563 134.606,564 1.406,565 3.933,566 0.167,568 0.077,569 0.058,570 0.045,571 0.031,572 0.029,573 0.014,574 0.01,576 0.431,577 1,578 1,579 0.875,580 62.516,581 -0.037,582 -0.105,583 0.062,584 -0.036,585 -0.087,586 0.018,587 -0.123,588 0.018,589 0.152,590 0.188,591 0.01,592 0.199,593 -0.125,594 0.062,595 -0.127,596 -0.015,597 -0.108,598 -0.063,599 -0.035,600 -0.138,601 -0.334,602 -0.274,603 -0.208,604 -0.331,605 0.03,606 -0.146,607 0.012,608 -0.109,609 0.067,610 -0.061,611 -0.035,612 -0.03,613 -0.021,614 -0.076,615 -0.045,616 -0.044,617 0.265,618 -0.032,619 0.13,620 -0.052,621 0.373,622 0.008,623 -0.539,624 -0.044,625 -0.405,626 0.05,627 -0.514,628 -0.146,629 0.801,630 1.713,631 0.813,632 8.344,633 0.998,634 1.117,635 1.29,636 1.665,637 0.688,638 2.944,639 3.296,640 3.638,641 3.951,642 4.205,643 4.304,644 4.419,645 4.489,646 4.248,647 4.06,648 3.832,649 0.657,650 212.27,651 2.944,652 4.489,653 5.371,654 6.275,655 7.179,656 8.092,657 9.003,658 9.919,659 10.834,660 11.752,661 7.1,669 1,671 1,674 4,675 5,676 1,677 1,680 2,682 15,697 1,699 28,700 15,701 1,702 18,704 30,705 13,706 11,707 3,708 3,710 3,711 6,715 1,721 11,722 2,733 1,736 12,737 2,738 1,739 3,743 2,747 0.333,748 1,754 1,756 1,759 1,760 2,762 2,777 1,781 2,785 16,791 1,801 3.6,806 1,808 8,809 5.783,810 3.528,811 1.589,812 3.25,813 1.499,814 1.039,815 2.027,816 9.765,817 3.277,818 4.012,819 4.758,820 5.488,821 6.135,822 6.597,823 7.094,824 7.552,825 7.654,826 7.861,827 1,828 26,829 5.865,831 2.465,832 7.563,833 11.342,835 9.314,837 2.063,838 33,839 0.004,842 129.482,843 84.095,844 33.571,846 11,849 84.095,850 140.482,851 33.571,852 19.708,854 37.905,855 28.557,856 49.979,857 4.288,858 117.711,860 129.482,861 117.666,862 11,865 129.482,866 11,869 37.415,870 63.466,871 16.786,873 129.482,874 44.571,875 84.095,878 129.482,879 17.434,880 66.661,881 16.786,882 27.785,883 129.482,884 44.571,885 84.095,887 0.584,888 0.361,889 0.201,890 0.114,891 15,892 6,893 0.033,894 1,895 2,896 1.308,897 2.822,898 116.448,899 0.308,900 13,901 62,904 9.519,905 3.407,906 1.372,907 4.614,908 27.785,909 9.94,910 4.283,911 3.378,914 1.886,916 16.786,917 258.148,918 25.5,926 27.949,927 31.282,928 0.308,929 0.709,930 0.855,931 0.929,932 0.929,933 0.929,934 4.497,935 0.384,936 5.371,937 1.399,938 3.97,939 4.696,940 0.908,941 6.236,942 3.898,943 5.755,944 -0.287,945 6.961,946 0.64,947 3.611,948 4.691,950 7.235,951 3.526,952 7.102,953 -0.666,954 8.653,955 -0.636,956 5.609,957 7.119,958 0.739,959 10.375,960 5.487,961 8.495,962 -0.755,963 10.404,964 -1.649,965 6.089,966 7.979,968 12.222,969 5.955,970 9.921,971 -1.173,972 12.193,973 -2.02,974 7.566,975 9.876,976 0.593,977 14.889,978 7.407,979 11.374,980 -1.355,981 14.009,982 -3.398,983 8.432,984 11.137,986 17.087,987 8.261,988 12.846,989 -1.581,990 15.845,991 -3.723,992 9.71,993 12.829,994 0.469,995 19.597,996 9.519,997 3.257,998 -1.891,999 17.696,1000 -4.21,1001 10.752,1002 14.272,1004 21.936,1005 10.546,1006 2.61,1007 11.399,1008 19.56,1009 -5.606,1010 11.958,1011 15.887,1012 0.366,1013 24.394,1014 11.734,1015 2.226,1016 8.223,1017 21.434,1018 4.848,1019 13.075,1020 17.407,1022 26.79,1023 12.835,1024 1.811,1025 6.71,1026 23.316,1027 3.715,1028 14.258,1029 18.995,1030 0.283,1031 29.23,1032 14,1033 1.43,1034 5.447,1035 25.205,1036 3.024,1037 15.408,1038 20.548,1040 31.648,1041 15.133,1042 1.295,1043 3.916,1044 27.1,1045 2.652,1046 16.585,1047 22.128,1048 0.217,1049 34.083,1050 16.291,1051 0.62,1052 3.087,1053 28.999,1054 2.084,1055 17.75,1056 23.694,1058 36.51,1059 17.438,1060 1850,1061 3007,1062 12.137,1063 19.273,1064 27.254,1065 27.709,1066 28.544,1067 27.194,1068 27.267,1069 39.006,1070 1.72,1071 81.644,1072 26.171,1073 5.301,1074 5.286,1075 6.395,1076 5.274,1077 5.257,1078 7.848,1079 1.72,1080 18.704,1081 5.192,1082 6.501,1083 1.514,1084 1.539,1085 1.586,1086 1.511,1087 1.515,1088 2.167,1089 0.096,1090 4.536,1091 1.454,1092 4.211,1093 4.241,1094 4.183,1095 4.129,1096 5.09,1097 4.139,1098 3.699,1099 3.732,1100 3.639,1101 3.588,1102 4.765,1103 3.595,1104 3.298,1105 3.361,1106 3.172,1107 3.074,1108 4.445,1109 3.074,1110 3.193,1111 3.268,1112 3.054,1113 3.023,1114 4.056,1115 3.033,1116 3.079,1117 3.171,1118 2.864,1119 2.862,1120 3.868,1121 2.852,1122 2.821,1123 2.887,1124 2.662,1125 2.687,1126 3.627,1127 2.671,1128 2.459,1129 2.557,1130 2.245,1131 2.256,1132 3.293,1133 2.241,1134 2.216,1135 2.285,1136 2.094,1137 2.035,1138 3.038,1139 2.043,1140 0.264,1141 0.183,1142 0.38,1143 0.235,1144 0.181,1145 4.746,1146 0.269,1147 3.286,1148 0.048,1149 6.847,1150 0.633,1151 4.237,1152 0.177,1153 3.257,1154 4.848,1155 0.86,1156 11.399,1157 3.192,1158 1.971,1159 1.955,1160 2.042,1161 2.041,1162 1.203,1163 2.042,1164 1.845,1165 1.808,1166 1.942,1167 2.004,1168 1.034,1169 1.988,1170 1.261,1171 1.204,1172 1.584,1173 1.544,1174 0.62,1175 1.552,1176 1.157,1177 1.069,1178 1.524,1179 1.405,1180 0.564,1181 1.451,1182 1.092,1183 1.017,1184 1.315,1185 1.334,1186 0.342,1187 1.34,1188 0.804,1189 0.747,1190 1.004,1191 0.97,1192 0.113,1193 0.985,1194 0.671,1195 0.597,1196 0.954,1197 0.87,1198 0.047,1199 0.906,1200 0.24,1201 0.14,1202 0.587,1203 0.536,1205 0.558,1206 3.611,1208 4.949,1209 2.398,1210 6.503,1211 4.844,1212 8.154,1213 7.066,1214 9.854,1216 3.686,1224 5.213,1231 18.392,1232 41.481,1233 95.487,1234 115.096,1235 125.096,1236 125.096,1237 125.096,1238 14.255,1239 6.515,1240 37.91,1241 37.91,1242 17,1243 12.262,1244 4,1245 3.087,1246 21.713,1247 39,1248 38,1249 0.316,1250 113.311,1251 178.63,1252 268.239,1253 4686,1255 11.121,1256 0.695,1257 0.578,1258 11.121,1259 9.242,1260 7.792,1261 0.433,1262 0.289,1263 5.13,1264 7.501,1265 4.932,1266 4.124,1267 7.792,1268 5.204,1269 6.983,1270 0.269,1271 0.148,1272 6.983,1273 3.855,1274 6.33,1275 0.171,1276 0.079,1277 6.33,1278 2.917,1279 5.404,1280 0.106,1281 0.041,1282 5.404,1283 2.072,1284 4.493,1285 0.068,1286 0.021,1287 4.493,1288 1.415,1289 0.461,1290 48.73,1291 0.287,1292 15.656,1293 0.97,1294 88,1295 237.714,1296 94.653,1297 231.903,1298 329.36,1299 220,1300 107,1301 252.264,1302 113.849,1303 258.868,1304 379.21,1305 243,1306 7.469} {0 CHEMBL270346,1 1.631,2 6.474,3 1.164,4 1.356,5 72.375,6 7.978,7 0.762,8 3.605,9 3.731,10 3.237,11 3.083,12 4.812,13 3.105,14 4.08,15 4.262,16 3.584,17 3.442,18 5.246,19 3.455,20 4.153,21 4.313,22 3.626,23 3.551,24 5.289,25 3.548,26 4.256,27 4.434,28 3.599,29 3.591,30 5.359,31 3.555,32 4.291,33 4.491,34 3.493,35 3.553,36 5.362,37 3.483,38 4.321,39 4.572,40 3.282,41 3.383,42 5.348,43 3.306,44 4.085,45 4.355,46 2.921,47 3.106,48 5.153,49 2.972,50 3.857,51 4.195,52 2.1,53 2.64,54 4.733,55 2.422,56 0.055,57 0.526,58 5.874,59 2.342,60 7.603,61 3.047,62 0.279,63 0.783,64 11.573,65 3.814,66 21.101,67 4.971,68 0.155,69 0.859,70 11.355,71 4.172,72 13.999,73 5.507,74 0.279,75 0.893,76 13.315,77 4.921,78 18.21,79 6.589,80 0.208,81 0.891,82 14.31,83 5.456,84 18.52,85 7.578,86 0.372,87 0.83,88 17.097,89 4.704,90 28.934,91 6.775,92 0.319,93 0.625,94 13.831,95 4.186,96 29.472,97 6.31,98 0.249,99 0.427,100 12.813,101 3.118,102 28.019,103 5.084,104 11,105 30,106 0.302,107 0.708,108 0.826,109 0.849,110 0.861,111 0.861,112 3.013,113 0.825,114 -2.64,115 -2.66,116 -2.59,119 40.6,123 2,133 2,134 2,135 1,136 2,137 1,141 1,142 1,150 1,152 1,153 1,154 1,159 1,161 2,162 9,163 2,164 2,168 2,172 3,178 2,181 3,182 3,187 2,192 2,193 2,194 4,199 1,202 1,204 1,205 1,208 1,209 1,216 2,217 1,219 2,220 2,222 1,226 1,255 397,256 12.939,257 12.939,258 12.939,259 12.939,260 12.939,261 11.031,262 10.638,263 7.521,264 13.432,265 10.303,266 10.303,267 10.303,268 10.303,269 10.303,270 7.404,271 9.651,272 3.461,273 10.999,274 3.369,275 1.184,276 0.547,277 0.422,278 0.36,279 0.36,280 3.688,284 1,285 262,286 2.121,288 33.933,289 93.844,291 65.489,295 0.975,296 14.146,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 41.5,307 123,308 4.743,309 3.371,310 7.004,311 4.276,312 3.31,313 4.721,314 0.86,315 11.967,316 3.201,317 4.065,318 2.738,319 5.98,320 3.6,321 2.66,322 3.689,324 8.422,325 2.504,326 3.695,327 2.594,328 5.624,329 3.249,330 2.33,331 3.129,333 7.228,334 2.135,335 3.507,336 2.217,337 5.047,338 3.062,339 2.134,340 2.877,342 5.971,343 1.973,344 2.969,345 1.644,346 4.479,347 2.45,348 1.502,349 2.183,351 3.945,352 1.424,353 2.74,354 1.503,355 4.335,356 2.292,357 1.366,358 1.83,360 3.884,361 1.258,362 2.682,363 1.22,364 3.628,365 2.161,366 1.206,367 1.766,369 2.683,370 1.148,371 2.411,372 1.074,373 3.465,374 1.894,375 0.96,376 1.373,378 2.353,379 0.893,380 1.605,381 0.792,382 2.842,383 1.284,384 0.414,385 0.478,386 0.657,387 0.357,388 0.953,389 -0.213,390 2.563,391 0.531,392 -0.396,393 -0.503,394 -0.883,395 -0.366,396 0.818,397 -0.246,398 2.277,399 0.417,400 -0.511,401 -0.635,402 -1.132,403 -0.469,404 0.777,405 -0.499,406 2.25,407 0.308,408 -0.632,409 -0.841,411 -1.568,412 -0.594,413 0.654,414 -0.618,415 2,416 0.225,417 -0.705,418 -0.913,420 -1.836,421 -0.649,422 0.285,423 -1.076,424 1.886,425 -0.172,426 -1.118,427 -1.602,429 -3.142,430 -1.05,431 -0.085,432 -1.231,433 1.543,434 -0.471,435 -1.385,436 -1.861,438 -3.432,439 -1.263,440 8.833,441 0.465,442 0.469,443 0.025,444 28.5,445 1.5,446 15,447 0.789,448 13.5,449 0.711,450 11.138,451 0.586,452 19.967,453 0.624,454 18.848,455 0.992,456 5.808,457 0.306,458 3.394,459 0.179,460 0.158,462 0.385,466 1,467 1.499,468 0.729,469 1.129,470 1.095,471 0.913,472 1.185,473 0.723,474 0.734,475 0.595,476 0.731,477 0.59,478 1.128,479 1.254,480 0.903,481 1.053,482 0.948,483 0.95,484 0.92,485 1.045,486 1.019,487 1.105,488 0.93,489 1.087,490 0.744,491 1.312,492 1.036,493 1.378,494 0.673,495 1.291,496 1.38,497 0.944,498 1.232,499 0.991,500 1.288,501 1.071,502 0.708,503 0.94,504 1.124,505 1.15,506 0.796,507 1.208,508 1.108,509 0.771,510 1.166,511 0.842,512 1.505,513 0.979,514 3.5,516 2.222,517 1.854,518 1.326,519 0.636,520 0.357,521 0.174,522 0.041,524 2844,525 8335,526 2.081,527 40.6,529 8,530 1,531 2,532 2,536 1.611,537 1.932,538 2.758,539 0.445,541 1,543 1,545 52.179,546 1.631,547 3.816,548 4.453,549 4.578,550 4.64,551 4.64,552 2.149,553 4.037,554 4.221,555 2.846,556 486.719,557 7.231,558 4663.74,559 1,560 1,563 160,564 1.462,565 4.171,566 0.167,568 0.074,569 0.06,570 0.046,571 0.025,572 0.019,573 0.014,574 0.01,576 0.415,577 0.67,578 1,579 0.868,580 79.785,581 -0.12,582 -0.322,583 0.053,584 -0.132,585 -0.215,586 -0.023,587 -0.034,588 0.369,589 0.173,590 0.361,591 0.153,592 0.309,593 -0.195,594 -0.144,595 -0.064,596 -0.061,597 -0.131,598 -0.036,599 0.048,600 0.012,601 -0.142,602 -0.109,603 -0.092,604 -0.151,605 0.081,606 -0.325,607 -0.134,608 -0.362,609 0.107,610 -0.306,611 -0.22,612 -0.013,613 -0.207,614 -0.073,615 -0.231,616 -0.128,617 0.234,618 -0.063,619 -0.084,620 -0.196,621 0.259,622 -0.205,623 -0.15,624 -0.021,625 -0.002,626 0.084,627 -0.182,628 0.074,629 1.419,630 1.905,631 0.789,632 11.058,633 1.012,634 1.136,635 1.409,636 1.985,637 0.673,638 3.091,639 3.434,640 3.761,641 4.094,642 4.331,643 4.369,644 4.443,645 4.466,646 4.382,647 4.277,648 4.214,649 0.654,650 255.31,651 3.091,652 4.635,653 5.509,654 6.415,655 7.315,656 8.229,657 9.139,658 10.055,659 10.969,660 11.887,661 15.6,665 1,669 1,671 3,674 2,675 5,676 3,680 4,681 1,682 16,691 1,697 1,699 32,700 16,702 21,704 34,705 13,706 11,710 3,711 4,721 11,722 2,733 1,736 13,737 5,738 2,739 6,743 5,747 0.667,748 1,754 1,755 1,756 1,759 1,760 2,762 1,777 2,781 2,785 19,786 1,791 1,801 3.1,806 1,808 9.833,809 6.467,810 4.222,811 1.664,812 3.171,813 1.475,814 1.008,815 2.837,816 9.849,817 3.401,818 4.09,819 4.786,820 5.476,821 6.048,822 6.396,823 6.833,824 7.238,825 7.456,826 7.704,827 1,828 31,829 6.929,831 2.882,832 7.737,833 13.071,835 10.376,837 2.237,838 42.5,839 0.001,842 129.482,843 82.747,844 85.153,846 11,849 82.747,850 140.482,851 85.153,852 19.279,854 60.897,855 75.614,856 44.753,857 13.67,858 94.169,860 129.482,861 167.9,862 11,865 129.482,866 11,869 26.365,870 91.179,871 50.357,873 129.482,874 96.153,875 82.747,878 129.482,879 17.373,880 67.273,882 94.254,883 129.482,884 96.153,885 82.747,887 0.58,888 0.357,889 0.209,890 0.12,891 16,892 7,893 0.059,894 2,895 1,896 1.133,897 3.038,898 147.52,899 0.133,900 15,901 80.711,904 11.932,905 4.518,906 1.921,907 1.761,908 94.254,909 8.967,910 12.526,914 2.691,915 1.936,916 32.897,917 308.382,918 29,926 32.371,927 36.362,928 0.326,929 0.763,930 0.891,931 0.916,932 0.928,933 0.928,934 4.625,935 0.96,936 5.509,937 2.683,938 4.111,939 4.775,940 0.908,941 6.378,942 3.994,943 5.869,944 0.414,945 7.101,946 2.353,947 3.761,948 4.691,950 7.405,951 3.606,952 7.205,953 -0.396,954 8.796,955 0.657,956 5.746,957 7.116,958 0.739,959 10.567,960 5.541,961 8.584,962 -0.511,963 10.555,964 -0.883,965 6.236,966 7.9,968 12.471,969 6.006,970 9.998,971 -0.632,972 12.354,973 -1.132,974 7.708,975 9.79,976 0.593,977 15.167,978 7.439,979 11.439,980 -0.705,981 14.183,982 -1.568,983 8.587,984 10.989,986 17.426,987 8.298,988 12.902,989 -1.118,990 16.034,991 -1.836,992 9.866,993 12.665,994 0.469,995 19.973,996 9.544,997 3.31,998 -1.385,999 17.902,1000 -3.142,1001 10.921,1002 14.059,1004 22.37,1005 10.577,1006 2.66,1007 11.967,1008 19.784,1009 -3.432,1010 12.134,1011 15.652,1012 0.366,1013 24.872,1014 11.76,1015 2.33,1016 8.422,1017 21.678,1018 4.721,1019 13.265,1020 17.133,1022 27.321,1023 12.866,1024 2.134,1025 7.228,1026 23.58,1027 3.689,1028 14.458,1029 18.696,1030 0.283,1031 29.808,1032 14.03,1033 1.502,1034 5.971,1035 25.49,1036 3.129,1037 15.624,1038 20.216,1040 32.277,1041 15.167,1042 1.366,1043 3.945,1044 27.406,1045 2.877,1046 16.813,1047 21.769,1048 0.217,1049 34.76,1050 16.327,1051 1.206,1052 3.884,1053 29.328,1054 2.183,1055 17.994,1056 23.305,1058 37.237,1059 17.478,1060 2840,1061 4956,1062 13.929,1063 21.529,1064 31.975,1065 32.143,1066 33.409,1067 31.738,1068 31.766,1069 44.092,1070 1.72,1071 94.22,1072 29.787,1073 5.401,1074 5.371,1075 6.591,1076 5.347,1077 5.31,1078 7.721,1079 1.72,1080 19.291,1081 5.146,1082 8.852,1083 1.523,1084 1.531,1085 1.591,1086 1.511,1087 1.513,1088 2.1,1089 0.082,1090 4.487,1091 1.418,1092 4.141,1093 4.176,1094 4.117,1095 4.024,1096 5.24,1097 4.043,1098 3.78,1099 3.839,1100 3.74,1101 3.602,1102 5.038,1103 3.629,1104 3.473,1105 3.531,1106 3.374,1107 3.28,1108 4.615,1109 3.294,1110 3.201,1111 3.279,1112 3.043,1113 2.929,1114 4.542,1115 2.941,1116 3.09,1117 3.188,1118 2.92,1119 2.858,1120 4.29,1121 2.854,1122 2.966,1123 3.064,1124 2.79,1125 2.727,1126 3.936,1127 2.736,1128 2.634,1129 2.722,1130 2.456,1131 2.411,1132 3.641,1133 2.417,1134 2.523,1135 2.597,1136 2.42,1137 2.336,1138 3.501,1139 2.344,1140 0.226,1141 0.161,1142 0.334,1143 0.204,1144 0.158,1145 4.743,1146 0.225,1147 3.371,1148 0.041,1149 7.004,1150 0.57,1151 4.276,1152 0.152,1153 3.31,1154 4.721,1155 0.86,1156 11.967,1157 3.201,1158 1.899,1159 1.877,1160 1.955,1161 2.029,1162 1.088,1163 2.007,1164 1.751,1165 1.701,1166 1.856,1167 1.955,1168 0.905,1169 1.929,1170 1.491,1171 1.422,1172 1.694,1173 1.732,1174 0.701,1175 1.723,1176 1.168,1177 1.09,1178 1.549,1179 1.484,1180 0.56,1181 1.506,1182 1.102,1183 1.035,1184 1.331,1185 1.339,1186 0.375,1187 1.345,1188 0.932,1189 0.834,1190 1.233,1191 1.208,1192 0.152,1193 1.23,1194 0.729,1195 0.636,1196 1.021,1197 0.962,1199 0.993,1200 0.469,1201 0.401,1202 0.711,1203 0.731,1205 0.727,1206 3.761,1208 5.094,1209 2.398,1210 6.637,1211 4.844,1212 8.279,1213 7.05,1214 9.973,1216 3.572,1220 5.641,1224 5.405,1231 20.929,1232 52.179,1233 122.126,1234 142.49,1235 146.49,1236 148.49,1237 148.49,1238 19.921,1239 6.678,1240 78.85,1241 78.85,1242 17,1243 12.398,1244 4.087,1245 3.17,1246 27.516,1247 47,1248 44,1249 0.3,1250 130.767,1251 208.99,1252 310.831,1253 5810,1255 13.405,1256 0.706,1257 0.561,1258 13.405,1259 10.661,1260 9.203,1261 0.438,1262 0.275,1263 5.644,1264 8.707,1265 5.46,1266 4.577,1267 9.203,1268 5.774,1269 8.249,1270 0.275,1271 0.139,1272 8.249,1273 4.166,1274 7.127,1275 0.17,1276 0.071,1277 7.127,1278 2.989,1279 6.295,1280 0.107,1281 0.037,1282 6.295,1283 2.162,1284 5.232,1285 0.07,1286 0.019,1287 5.232,1288 1.447,1289 0.439,1290 58.596,1291 0.268,1292 18.33,1293 0.925,1294 102,1295 315.628,1296 113.704,1297 305.963,1298 427.78,1299 288,1300 123,1301 325.954,1302 135.149,1303 332.386,1304 486.26,1305 310,1306 5} {0 CHEMBL270686,1 1.662,2 6.444,3 0.959,4 0.919,5 67.478,6 8.32,7 0.8,8 3.524,9 3.647,10 3.183,11 3.01,12 4.765,13 3.043,14 3.972,15 4.132,16 3.522,17 3.362,18 5.198,19 3.38,20 4.056,21 4.224,22 3.529,23 3.424,24 5.207,25 3.431,26 4.073,27 4.228,28 3.497,29 3.434,30 5.252,31 3.414,32 4.163,33 4.376,34 3.33,35 3.379,36 5.245,37 3.312,38 4.089,39 4.347,40 3.117,41 3.143,42 5.156,43 3.078,44 3.813,45 4.091,46 2.729,47 2.792,48 4.942,49 2.698,50 3.402,51 3.689,52 1.994,53 2.34,54 4.365,55 2.181,56 0.077,57 0.487,58 4.914,59 2.037,60 7.795,61 2.463,62 0.252,63 0.717,64 9.297,65 3.476,66 20.254,67 4.21,68 0.192,69 0.768,70 9.989,71 3.569,72 15.849,73 4.503,74 0.249,75 0.76,76 9.747,77 3.993,78 16.14,79 4.993,80 0.261,81 0.767,82 12.696,83 4.601,84 21.001,85 6.29,86 0.293,87 0.673,88 13.203,89 3.682,90 24.825,91 5.331,92 0.328,93 0.469,94 10.843,95 2.846,96 28.864,97 4.255,98 0.154,99 0.291,100 7.351,101 2.061,102 14.859,103 3.062,104 6,105 28,106 0.314,107 0.724,108 0.836,109 0.862,110 0.875,111 0.875,112 2.963,113 0.807,114 -2.37,115 -2.4,116 -2.36,119 41.4,123 1,133 2,134 2,135 1,136 2,137 1,141 1,142 1,150 1,152 1,153 1,154 1,159 1,161 1,162 7,163 2,164 3,166 2,168 2,172 3,178 2,181 1,182 1,185 2,187 4,192 2,193 2,194 4,199 1,202 1,204 1,209 1,210 1,212 1,216 2,217 1,219 2,220 2,222 1,226 1,255 342,256 12.439,257 12.439,258 12.439,259 12.439,260 12.439,261 10.576,262 7.476,263 7.304,264 12.892,265 9.819,266 9.819,267 9.819,268 9.819,269 9.819,270 7.006,271 7.151,272 3.356,273 10.45,274 3.196,275 1.03,276 0.44,277 0.302,278 0.233,279 0.233,280 3.641,284 1,285 249,286 2,288 31.685,289 88.512,291 61.225,295 1,296 14.733,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 39.5,307 116,308 4.676,309 3.307,310 6.908,311 4.216,312 3.242,313 4.633,314 0.86,315 11.615,316 3.156,317 4.051,318 2.738,319 5.904,320 3.584,321 2.642,322 3.677,324 8.244,325 2.489,326 3.534,327 2.408,328 5.187,329 3.099,330 2.172,331 2.906,333 6.162,334 2.006,335 3.451,336 2.137,337 5.029,338 2.959,339 2.042,340 2.832,342 5.913,343 1.867,344 2.965,345 1.513,346 4.359,347 2.449,348 1.492,349 2.178,351 3.901,352 1.424,353 2.683,354 1.265,355 3.825,356 2.161,357 1.208,358 1.768,360 2.742,361 1.149,362 2.5,363 1.17,364 3.473,365 1.949,366 1,367 1.5,369 2.458,370 0.946,371 2.236,372 1,373 3.375,374 1.757,375 0.862,376 1.141,378 1.974,379 0.766,380 1.56,381 0.579,382 2.738,383 1.2,384 0.319,385 0.388,386 0.523,387 0.28,388 0.953,389 -0.245,390 2.417,391 0.529,392 -0.398,393 -0.504,394 -0.884,395 -0.367,396 0.777,397 -0.311,398 2.246,399 0.309,400 -0.625,401 -0.803,402 -1.292,403 -0.568,404 0.735,405 -0.618,406 2,407 0.295,408 -0.634,409 -0.858,411 -1.754,412 -0.595,413 0.5,414 -1,415 2,416 -0.049,417 -1,418 -1.5,420 -2.682,421 -0.947,422 0.026,423 -1.193,424 1.721,425 -0.403,426 -1.337,427 -1.804,429 -3.402,430 -1.231,431 -0.108,432 -1.278,433 1.521,434 -0.554,435 -1.475,436 -1.921,438 -3.998,439 -1.328,440 8.333,441 0.463,442 0.38,443 0.021,444 27.75,445 1.542,446 15,447 0.833,448 12.75,449 0.708,450 9.629,451 0.535,452 18.667,453 0.644,454 17.417,455 0.968,456 5.671,457 0.315,458 3.121,459 0.173,460 0.108,462 0.36,466 1.051,467 1.359,468 0.717,469 1.012,470 1.126,471 0.822,472 1.102,473 0.832,474 0.756,475 0.751,476 0.768,477 0.712,478 1.183,479 1.16,480 0.898,481 0.959,482 0.983,483 0.876,484 0.905,485 1.138,486 1.028,487 1.217,488 0.891,489 1.169,490 0.832,491 1.192,492 1.062,493 1.26,494 0.789,495 1.23,496 1.074,497 1.01,498 1.124,499 1.042,500 1.106,501 1.073,502 0.898,503 0.649,504 1.117,505 0.838,506 0.992,507 0.985,508 1.152,509 1.057,510 1.288,511 1.146,512 1.291,513 1.24,514 3,516 2,517 1.313,518 1.046,519 0.438,520 0.279,521 0.146,522 0.041,524 2553,525 7822,526 2.12,527 37.9,529 5,530 1,531 2,532 3,536 1.593,537 2,538 2.768,539 1.251,541 1,543 1,545 48.199,546 1.662,547 3.828,548 4.418,549 4.556,550 4.625,551 4.625,552 2.171,553 4.059,554 4.144,555 2.844,556 435.061,557 7.063,558 4004.85,560 1,563 140.881,564 1.352,565 4.109,566 0.15,568 0.071,569 0.047,570 0.04,571 0.021,572 0.017,573 0.015,574 0.01,576 0.372,577 0.67,578 1,579 0.816,580 74.25,581 -0.183,582 -0.203,583 0.027,584 -0.045,585 -0.258,586 0.029,587 -0.015,588 0.247,589 0.098,590 0.215,591 0.107,592 0.174,593 -0.235,594 -0.092,595 -0.051,596 0.005,597 -0.151,598 0.022,599 0.071,600 -0.084,601 -0.197,602 -0.229,603 -0.067,604 -0.263,605 0.041,606 -0.254,607 -0.114,608 -0.26,609 0.049,610 -0.235,611 -0.094,612 -0.092,613 -0.077,614 -0.12,615 -0.08,616 -0.097,617 0.202,618 0.22,619 0.001,620 0.084,621 0.21,622 0.017,623 -0.169,624 -0.274,625 -0.148,626 -0.168,627 -0.122,628 -0.165,629 1.426,630 1.844,631 0.833,632 10,633 1.017,634 1.136,635 1.137,636 1.293,637 0.682,638 3.045,639 3.367,640 3.689,641 4.007,642 4.205,643 4.234,644 4.304,645 4.357,646 4.263,647 4.19,648 4.159,649 0.669,650 241.28,651 3.045,652 4.575,653 5.442,654 6.337,655 7.226,656 8.129,657 9.026,658 9.932,659 10.833,660 11.739,661 17.2,665 1,669 1,671 3,674 2,675 5,676 3,677 1,680 4,682 16,691 1,697 1,699 29,700 16,702 20,704 31,705 12,706 11,710 3,711 4,721 11,722 1,733 1,736 11,737 5,738 3,739 6,743 5,747 0.667,748 1,754 1,755 1,756 1,759 1,760 2,762 1,777 2,781 1,785 18,786 1,791 1,801 3.4,806 1,808 9,809 5.517,810 4.028,811 1.493,812 3.194,813 1.486,814 1.028,815 2.61,816 9.771,817 3.367,818 4.039,819 4.728,820 5.408,821 5.952,822 6.293,823 6.727,824 7.154,825 7.35,826 7.636,827 1,828 28,829 6.553,831 2.742,832 7.778,833 12.289,835 9.765,837 2.278,838 41,839 0.001,842 94.169,843 74.351,844 100.039,846 11,849 74.351,850 105.169,851 100.039,852 10.883,854 60.897,855 75.614,856 59.639,857 13.67,858 58.856,860 94.169,861 174.39,862 11,865 94.169,866 11,869 41.252,870 82.782,871 50.357,873 94.169,874 111.039,875 74.351,878 94.169,879 17.373,880 56.978,881 16.786,882 94.254,883 94.169,884 111.039,885 74.351,887 0.574,888 0.352,889 0.207,890 0.113,891 15,892 6,893 0.065,894 2,895 1,896 1.133,897 3.005,898 135.113,899 0.133,900 15,901 75.059,904 10.989,905 4.274,906 1.821,907 1.639,908 94.254,909 8.757,910 12.335,911 3.088,914 2.613,916 49.683,917 279.559,918 28,926 29.487,927 32.947,928 0.342,929 0.788,930 0.909,931 0.938,932 0.952,933 0.952,934 4.575,935 0.862,936 5.425,937 2.458,938 4.043,939 4.723,940 0.908,941 6.271,942 3.933,943 5.805,944 0.319,945 6.999,946 1.974,947 3.611,948 4.559,950 7.265,951 3.479,952 7.128,953 -0.398,954 8.678,955 0.523,956 5.652,957 7.044,958 0.739,959 10.415,960 5.464,961 8.497,962 -0.625,963 10.422,964 -0.884,965 6.089,966 7.774,968 12.299,969 5.893,970 9.901,971 -0.634,972 12.21,973 -1.292,974 7.583,975 9.689,976 0.593,977 14.972,978 7.344,979 11.331,980 -1,981 14.029,982 -1.754,983 8.423,984 10.846,986 17.206,987 8.178,988 12.783,989 -1.337,990 15.872,991 -2.682,992 9.705,993 12.527,994 0.469,995 19.729,996 9.427,997 3.242,998 -1.475,999 17.732,1000 -3.402,1001 10.73,1002 13.888,1004 22.098,1005 10.441,1006 2.642,1007 11.615,1008 19.606,1009 -3.998,1010 11.934,1011 15.475,1012 0.366,1013 24.572,1014 11.617,1015 2.172,1016 8.244,1017 21.491,1018 4.633,1019 13.04,1020 16.928,1022 26.992,1023 12.708,1024 2.042,1025 6.162,1026 23.384,1027 3.677,1028 14.218,1029 18.478,1030 0.283,1031 29.45,1032 13.86,1033 1.492,1034 5.913,1035 25.285,1036 2.906,1037 15.361,1038 19.974,1040 31.889,1041 14.982,1042 1.208,1043 3.901,1044 27.192,1045 2.832,1046 16.532,1047 21.511,1048 0.217,1049 34.343,1050 16.129,1051 1,1052 2.742,1053 29.103,1054 2.178,1055 17.691,1056 23.026,1058 36.79,1059 17.265,1060 2528,1061 4515,1062 13.523,1063 19.767,1064 30.109,1065 30.325,1066 31.32,1067 29.916,1068 29.959,1069 42.049,1070 1.72,1071 87.066,1072 28.166,1073 5.334,1074 5.307,1075 6.503,1076 5.287,1077 5.242,1078 7.633,1079 1.72,1080 18.834,1081 5.1,1082 7.076,1083 1.505,1084 1.516,1085 1.566,1086 1.496,1087 1.498,1088 2.102,1089 0.086,1090 4.353,1091 1.408,1092 4.126,1093 4.162,1094 4.1,1095 4.011,1096 5.242,1097 4.029,1098 3.777,1099 3.836,1100 3.737,1101 3.601,1102 5.067,1103 3.627,1104 3.414,1105 3.469,1106 3.318,1107 3.224,1108 4.618,1109 3.239,1110 3.199,1111 3.276,1112 3.039,1113 2.921,1114 4.554,1115 2.932,1116 3.029,1117 3.14,1118 2.876,1119 2.756,1120 4.292,1121 2.778,1122 2.796,1123 2.873,1124 2.683,1125 2.575,1126 3.903,1127 2.595,1128 2.525,1129 2.599,1130 2.421,1131 2.34,1132 3.598,1133 2.346,1134 2.364,1135 2.444,1136 2.218,1137 2.176,1138 3.436,1139 2.183,1140 0.234,1141 0.165,1142 0.345,1143 0.211,1144 0.162,1145 4.676,1146 0.232,1147 3.307,1148 0.043,1149 6.908,1150 0.581,1151 4.216,1152 0.158,1153 3.242,1154 4.633,1155 0.86,1156 11.615,1157 3.156,1158 1.897,1159 1.875,1160 1.952,1161 2.024,1162 1.083,1163 2.002,1164 1.734,1165 1.686,1166 1.828,1167 1.938,1168 0.814,1169 1.909,1170 1.39,1171 1.323,1172 1.576,1173 1.651,1174 0.567,1175 1.63,1176 1.168,1177 1.087,1178 1.519,1179 1.478,1180 0.51,1181 1.498,1182 1.019,1183 0.956,1184 1.261,1185 1.305,1186 0.28,1187 1.307,1188 0.927,1189 0.833,1190 1.168,1191 1.14,1193 1.154,1194 0.469,1195 0.401,1196 0.712,1197 0.733,1199 0.727,1200 0.375,1201 0.292,1202 0.652,1203 0.66,1205 0.656,1206 3.714,1208 5.03,1209 2.398,1210 6.561,1211 4.727,1212 8.191,1213 6.862,1214 9.873,1216 1.625,1220 5.6,1224 5.344,1231 19.402,1232 48.199,1233 111.007,1234 128.127,1235 132.127,1236 134.127,1237 134.127,1238 18.033,1239 6.576,1240 89.71,1241 89.71,1242 17,1243 12.258,1244 4.087,1245 3.17,1246 25.521,1247 44,1248 40,1249 0.297,1250 121.174,1251 191.69,1252 287.425,1253 5244,1255 12.535,1256 0.696,1257 0.54,1258 12.535,1259 9.714,1260 8.792,1261 0.44,1262 0.269,1263 5.267,1264 8.332,1265 5.149,1266 4.293,1267 8.792,1268 5.383,1269 7.71,1270 0.275,1271 0.134,1272 7.71,1273 3.739,1274 6.711,1275 0.172,1276 0.069,1277 6.711,1278 2.705,1279 5.943,1280 0.11,1281 0.036,1282 5.943,1283 1.922,1284 4.745,1285 0.072,1286 0.018,1287 4.745,1288 1.211,1289 0.436,1290 55.927,1291 0.272,1292 17.54,1293 0.905,1294 96,1295 304.316,1296 107.343,1297 295.149,1298 412.14,1299 278,1300 115,1301 313.109,1302 126.15,1303 317.764,1304 464.79,1305 298,1306 7.538} {0 CHEMBL270687,1 1.6,2 7.7,3 1.831,4 3.353,5 76.751,6 7.695,7 0.727,8 3.681,9 3.811,10 3.276,11 3.17,12 4.842,13 3.179,14 4.165,15 4.342,16 3.607,17 3.522,18 5.305,19 3.509,20 4.32,21 4.531,22 3.612,23 3.569,24 5.366,25 3.548,26 4.26,27 4.439,28 3.594,29 3.566,30 5.361,31 3.537,32 4.292,33 4.49,34 3.507,35 3.587,36 5.334,37 3.517,38 4.344,39 4.581,40 3.425,41 3.516,42 5.354,43 3.436,44 4.274,45 4.542,46 3.153,47 3.334,48 5.302,49 3.214,50 4.038,51 4.336,52 2.572,53 3.006,54 4.909,55 2.833,56 0.051,57 0.564,58 6.894,59 2.672,60 7.888,61 3.6,62 0.216,63 0.838,64 12.744,65 4.65,66 21.409,67 6.237,68 0.23,69 0.897,70 16.191,71 5.053,72 21.851,73 7.138,74 0.306,75 0.862,76 14.538,77 5.034,78 21.864,79 6.779,80 0.21,81 0.903,82 14.854,83 5.467,84 20.142,85 7.698,86 0.236,87 0.906,88 16.727,89 5.296,90 23.186,91 7.852,92 0.36,93 0.78,94 16.652,95 4.791,96 34.359,97 7.363,98 0.233,99 0.573,100 13.841,101 3.716,102 24.595,103 5.884,104 8,105 30,106 0.291,107 0.701,108 0.847,109 0.868,110 0.878,111 0.878,112 3.059,113 0.882,114 -2.9,115 -2.91,116 -2.81,119 40,120 1,121 1,124 1,133 2,134 2,135 1,136 2,137 1,141 1,142 1,150 1,152 1,153 1,154 1,159 2,161 1,162 8,163 2,164 3,166 2,168 2,172 4,178 2,181 1,182 1,185 2,187 4,190 2,192 2,193 2,194 4,199 1,202 4,204 1,206 1,209 1,210 1,211 1,212 1,213 1,216 2,217 3,219 2,220 2,222 2,224 1,226 1,229 1,237 1,242 1,247 1,252 1,255 496,256 13.853,257 13.853,258 13.853,259 13.853,260 13.853,261 11.99,262 8.554,263 8.438,264 14.265,265 10.857,266 10.857,267 10.857,268 10.857,269 10.857,270 8.067,271 8.314,272 3.956,273 11.529,274 3.529,275 1.279,276 0.479,277 0.364,278 0.307,279 0.307,280 3.741,283 1,284 1,285 327,286 2.449,288 37.168,289 102.222,291 71.9,295 1.2,296 16.208,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 43.5,307 154,308 4.676,309 3.314,310 6.91,311 4.217,312 3.244,313 4.633,314 0.86,315 11.624,316 3.156,317 4.052,318 2.756,319 5.906,320 3.586,321 2.645,322 3.677,324 8.261,325 2.491,326 3.543,327 2.458,328 5.206,329 3.115,330 2.193,331 2.912,333 6.277,334 2.016,335 3.457,336 2.147,337 5.029,338 2.976,339 2.059,340 2.836,342 5.913,343 1.881,344 2.965,345 1.661,346 4.367,347 2.451,348 1.493,349 2.178,351 3.918,352 1.426,353 2.685,354 1.512,355 3.842,356 2.391,357 1.439,358 1.77,360 2.799,361 1.362,362 2.525,363 1.216,364 3.528,365 2.157,366 1.203,367 1.527,369 2.74,370 1.145,371 2.5,372 1,373 3.469,374 1.949,375 1,376 1.5,378 2.454,379 0.946,380 2.135,381 0.862,382 3.238,383 1.677,384 0.752,385 1.009,386 1.735,387 0.692,388 1.391,389 0.438,390 2.587,391 1.142,392 0.228,393 0.258,394 0.39,395 0.207,396 0.953,397 -0.242,398 2.405,399 0.53,400 -0.397,401 -0.503,402 -0.881,403 -0.367,404 0.8,405 -0.269,406 2.216,407 0.42,408 -0.517,409 -0.628,411 -1.059,412 -0.478,413 0.757,414 -0.618,415 2,416 0.308,417 -0.633,418 -0.854,420 -1.739,421 -0.594,422 0.5,423 -1,424 2,425 -0.049,426 -1,427 -1.366,429 -2.367,430 -0.947,431 0.065,432 -1.08,433 1.737,434 -0.21,435 -1.171,436 -1.5,438 -2.691,439 -1.117,440 9.333,441 0.467,442 0.38,443 0.019,444 28.75,445 1.438,446 15,447 0.75,448 13.75,449 0.688,450 12.766,451 0.638,452 21.267,453 0.608,454 18.352,455 0.918,456 5.592,457 0.28,458 4.2,459 0.21,460 0.096,462 0.321,466 1.016,467 1.382,468 0.776,469 1.076,470 1.09,471 0.908,472 0.989,473 0.971,474 0.802,475 0.957,476 0.693,477 0.877,478 1.349,479 1.035,480 0.85,481 0.856,482 0.986,483 0.785,484 1.237,485 0.992,486 0.973,487 0.977,488 1.002,489 0.957,490 0.835,491 1.218,492 1.034,493 1.236,494 0.798,495 1.19,496 0.919,497 1.146,498 1.052,499 1.154,500 0.971,501 1.127,502 0.854,503 0.909,504 1.148,505 1.047,506 0.891,507 1.126,508 1.141,509 0.929,510 1.275,511 1.015,512 1.246,513 1.136,514 3,515 0.012,516 2,517 1.313,518 1.046,519 0.466,520 0.395,521 0.214,522 0.078,523 0.046,524 3451,525 9380,526 2.107,527 42.9,528 3,529 4,530 1,531 2,532 3,534 2,536 1.624,537 2,538 2.962,539 1.152,541 1,543 1,545 56.009,546 1.6,547 3.85,548 4.651,549 4.765,550 4.822,551 4.822,552 2.433,553 4.122,554 4.289,555 3.056,556 580.617,557 7.363,558 5801.98,559 1,560 1,562 1,563 179.525,564 1.295,565 4.266,566 0.136,567 0.006,568 0.067,569 0.044,570 0.036,571 0.018,572 0.017,573 0.013,574 0.01,575 0.011,576 0.359,577 0.5,578 1,579 1.197,580 86.892,581 -0.128,582 -0.181,583 0.039,584 -0.047,585 -0.181,586 0.019,587 0.086,588 0.119,589 0.1,590 0.046,591 0.195,592 0.063,593 -0.172,594 -0.039,595 0.117,596 0.126,597 -0.035,598 0.168,599 0.021,600 0.044,601 -0.042,602 0.028,603 -0.035,604 -0.015,605 0.033,606 -0.191,607 -0.132,608 -0.214,609 0.015,610 -0.21,611 -0.029,612 -0.159,613 -0.096,614 -0.191,615 -0.05,616 -0.163,617 0.119,618 0.028,619 -0.141,620 -0.12,621 0.128,622 -0.167,623 -0.223,624 -0.062,625 -0.235,626 -0.093,627 -0.236,628 -0.152,629 1.42,630 2.285,631 0.75,632 13.68,633 1.007,634 1.136,635 1.673,636 2.797,637 0.665,638 3.135,639 3.434,640 3.738,641 4.06,642 4.277,643 4.344,644 4.443,645 4.511,646 4.443,647 4.394,648 4.687,649 0.642,650 269.34,651 3.135,652 4.654,653 5.509,654 6.395,655 7.279,656 8.178,657 9.073,658 9.977,659 10.877,660 11.784,661 14.3,665 1,669 1,671 3,674 2,675 5,676 3,677 1,680 4,682 16,691 1,697 1,699 35,700 16,702 22,704 37,705 14,706 11,710 3,711 4,715 1,719 1,721 11,722 3,732 1,733 1,736 15,737 5,738 3,739 6,743 5,747 0.667,748 1,754 1,755 1,756 1,759 1,760 2,762 1,777 2,781 1,785 20,786 1,789 2,791 1,801 2.9,806 1,808 10,809 6.517,810 4.528,811 2.16,812 3.199,813 1.471,814 1.008,815 3.523,816 9.984,817 3.434,818 4.073,819 4.746,820 5.426,821 5.977,822 6.333,823 6.777,824 7.211,825 7.418,826 7.715,827 1,828 30,829 7.321,831 3.038,832 7.7,833 13.922,835 11.067,837 2.2,838 44,839 0.001,842 141.253,843 79.42,844 100.039,846 11,849 79.42,850 152.253,851 100.039,852 8.825,853 7.127,854 60.897,855 75.614,856 59.639,857 13.67,858 105.94,860 141.253,861 179.459,862 11,865 117.711,866 34.542,869 57.204,870 71.899,871 50.357,873 141.253,874 111.039,875 79.42,878 141.253,879 24.5,880 54.92,881 16.786,882 94.254,883 141.253,884 111.039,885 79.42,887 0.564,888 0.333,889 0.196,890 0.114,891 15,892 6,893 0.108,894 4,895 1,896 1.133,897 3.218,898 153.512,899 0.133,900 15,901 86.439,904 12.881,905 5.47,906 2.479,907 1.685,908 94.254,909 8.898,910 12.47,911 3.131,914 2.702,916 49.683,917 331.712,918 30,926 35.254,927 39.777,928 0.312,929 0.751,930 0.907,931 0.929,932 0.94,933 0.94,934 4.635,935 1,936 5.476,937 2.74,938 4.111,939 4.758,940 0.908,941 6.304,942 4.001,943 5.846,944 0.752,945 7.034,946 2.454,947 3.611,948 4.559,950 7.265,951 3.479,952 7.159,953 0.228,954 8.702,955 1.735,956 5.694,957 7.054,958 0.739,959 10.429,960 5.499,961 8.517,962 -0.397,963 10.439,964 0.39,965 6.089,966 7.774,968 12.304,969 5.893,970 9.915,971 -0.517,972 12.222,973 -0.881,974 7.606,975 9.692,976 0.593,977 14.981,978 7.359,979 11.342,980 -0.633,981 14.038,982 -1.059,983 8.426,984 10.846,986 17.213,987 8.18,988 12.791,989 -1,990 15.878,991 -1.739,992 9.719,993 12.529,994 0.469,995 19.737,996 9.434,997 3.244,998 -1.171,999 17.737,1000 -2.367,1001 10.735,1002 13.888,1004 22.106,1005 10.444,1006 2.645,1007 11.624,1008 19.61,1009 -2.691,1010 11.944,1011 15.476,1012 0.366,1013 24.58,1014 11.622,1015 2.193,1016 8.261,1017 21.495,1018 4.633,1019 13.047,1020 16.929,1022 27,1023 12.71,1024 2.059,1025 6.277,1026 23.388,1027 3.677,1028 14.226,1029 18.479,1030 0.283,1031 29.46,1032 13.864,1033 1.493,1034 5.913,1035 25.289,1036 2.912,1037 15.368,1038 19.975,1040 31.9,1041 14.985,1042 1.439,1043 3.918,1044 27.195,1045 2.836,1046 16.54,1047 21.512,1048 0.217,1049 34.354,1050 16.132,1051 1.203,1052 2.799,1053 29.106,1054 2.178,1055 17.698,1056 23.027,1058 36.802,1059 17.268,1060 3432,1061 5781,1062 14.909,1063 23.29,1064 32.586,1065 32.802,1066 33.9,1067 32.504,1068 32.513,1069 44.602,1070 1.72,1071 92.225,1072 30.646,1073 5.469,1074 5.314,1075 6.772,1076 5.288,1077 5.244,1078 7.633,1079 1.72,1080 18.848,1081 5.101,1082 7.884,1083 1.481,1084 1.491,1085 1.541,1086 1.477,1087 1.478,1088 2.027,1089 0.078,1090 4.192,1091 1.393,1092 4.128,1093 4.163,1094 4.101,1095 4.012,1096 5.242,1097 4.03,1098 3.778,1099 3.837,1100 3.738,1101 3.602,1102 5.064,1103 3.628,1104 3.602,1105 3.671,1106 3.436,1107 3.425,1108 4.61,1109 3.412,1110 3.36,1111 3.424,1112 3.251,1113 3.203,1114 4.523,1115 3.21,1116 3.043,1117 3.147,1118 2.919,1119 2.765,1120 4.291,1121 2.795,1122 2.975,1123 3.054,1124 2.824,1125 2.702,1126 3.974,1127 2.722,1128 2.761,1129 2.85,1130 2.601,1131 2.53,1132 3.88,1133 2.531,1134 2.524,1135 2.604,1136 2.38,1137 2.336,1138 3.517,1139 2.336,1140 0.213,1141 0.151,1142 0.314,1143 0.192,1144 0.147,1145 4.676,1146 0.211,1147 3.314,1148 0.039,1149 6.91,1150 0.528,1151 4.217,1152 0.143,1153 3.244,1154 4.633,1155 0.86,1156 11.624,1157 3.156,1158 1.899,1159 1.878,1160 1.965,1161 2.027,1162 1.147,1163 2.007,1164 1.737,1165 1.689,1166 1.885,1167 1.94,1168 1.063,1169 1.913,1170 1.587,1171 1.515,1172 1.819,1173 1.797,1174 0.811,1175 1.824,1176 1.384,1177 1.317,1178 1.539,1179 1.624,1180 0.514,1181 1.609,1182 1.025,1183 0.967,1184 1.329,1185 1.311,1186 0.455,1187 1.312,1188 0.927,1189 0.834,1190 1.261,1191 1.235,1192 0.28,1193 1.265,1194 0.91,1195 0.816,1196 1.168,1197 1.14,1199 1.154,1200 0.479,1201 0.407,1202 0.797,1203 0.76,1205 0.765,1206 3.807,1208 5.106,1209 2.398,1210 6.616,1211 4.727,1212 8.231,1213 6.862,1214 9.904,1216 2.071,1220 5.648,1222 1.611,1224 5.785,1231 22.456,1232 56.009,1233 134.754,1234 162.77,1235 166.77,1236 168.77,1237 168.77,1238 22.78,1239 6.786,1240 89.71,1241 89.71,1242 17,1243 12.303,1244 4.087,1245 3.17,1246 29.722,1247 54,1248 66,1249 0.275,1250 140.359,1251 226.29,1252 334.236,1253 6989,1255 13.949,1256 0.697,1257 0.556,1258 13.949,1259 11.128,1260 9.792,1261 0.445,1262 0.294,1263 6.362,1264 9.352,1265 6.231,1266 5.21,1267 9.792,1268 6.471,1269 8.444,1270 0.281,1271 0.146,1272 8.444,1273 4.384,1274 7.115,1275 0.174,1276 0.072,1277 7.115,1278 2.947,1279 6.27,1280 0.11,1281 0.037,1282 6.27,1283 2.085,1284 5.096,1285 0.072,1286 0.019,1287 5.096,1288 1.367,1289 0.41,1290 61.72,1291 0.259,1292 19.509,1293 0.817,1294 104,1295 312.316,1296 116.008,1297 303.089,1298 425.46,1299 286,1300 123,1301 326.018,1302 134.814,1303 327.859,1304 482.6,1305 310,1306 7.432} {0 CHEMBL270897,1 1.693,2 6.353,3 0.708,4 0.501,5 62.709,6 8.74,7 0.842,8 3.434,9 3.555,10 3.12,11 2.938,12 4.74,13 2.978,14 3.842,15 3.984,16 3.484,17 3.306,18 5.164,19 3.327,20 4.004,21 4.176,22 3.466,23 3.344,24 5.245,25 3.355,26 3.968,27 4.13,28 3.39,29 3.281,30 5.294,31 3.274,32 3.967,33 4.182,34 3.14,35 3.146,36 5.181,37 3.095,38 3.797,39 4.047,40 2.961,41 2.864,42 4.995,43 2.837,44 3.517,45 3.771,46 2.551,47 2.494,48 4.9,49 2.432,50 3.069,51 3.374,52 1.526,53 1.895,54 4.122,55 1.75,56 0.108,57 0.453,58 4.019,59 1.728,60 12.017,61 1.849,62 0.181,63 0.677,64 6.337,65 2.944,66 14.507,67 3.418,68 0.223,69 0.722,70 8.911,71 3.289,72 22.82,73 3.877,74 0.27,75 0.671,76 8.294,77 3.393,78 24.463,79 4.038,80 0.283,81 0.622,82 10.071,83 3.506,84 27.725,85 4.53,86 0.249,87 0.506,88 9.687,89 2.811,90 25.394,91 3.874,92 0.274,93 0.355,94 7.385,95 2.013,96 32.209,97 2.801,98 0.165,99 0.194,100 5.659,101 1.282,102 20.609,103 1.809,104 5,105 27,106 0.327,107 0.722,108 0.85,109 0.879,110 0.894,111 0.894,112 2.911,113 0.789,114 -2.09,115 -2.13,116 -2.12,119 42.3,133 2,134 2,135 1,136 2,137 1,141 1,142 1,150 1,152 1,153 1,154 1,159 1,161 1,162 5,163 2,164 3,166 4,168 2,172 2,176 1,178 2,182 1,185 2,186 1,187 4,192 2,193 1,194 3,197 1,199 2,202 1,204 1,209 1,210 1,212 1,216 1,217 1,219 1,220 2,221 1,222 1,223 1,226 1,255 288,256 11.569,257 11.569,258 11.569,259 11.569,260 11.569,261 9.654,262 5.319,263 6.781,264 11.884,265 9.382,266 9.382,267 9.382,268 9.382,269 9.382,270 6.578,271 3.663,272 3.202,273 9.904,274 3.007,275 0.966,276 0.308,277 0.154,278 0.077,279 0.077,280 3.586,284 1,285 234,286 1.732,288 29.314,289 82.356,291 56.484,295 0.962,296 17.827,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 37.5,307 108,308 4.668,309 3.272,310 6.886,311 4.206,312 3.231,313 4.627,315 11.497,316 3.15,317 4.047,318 2.694,319 5.877,320 3.573,321 2.631,322 3.675,324 8.142,325 2.481,326 3.51,327 2.276,328 5.043,329 3.07,330 2.136,331 2.882,333 5.916,334 1.987,335 3.414,336 2.099,337 5.015,338 2.909,339 1.984,340 2.799,342 5.672,343 1.829,344 2.964,345 1.512,346 4.324,347 2.449,348 1.492,349 2.178,351 3.874,352 1.424,353 2.681,354 1.218,355 3.8,356 2.158,357 1.204,358 1.766,360 2.742,361 1.146,362 2.5,363 1,364 3.472,365 1.949,366 1,367 1.5,369 2.457,370 0.946,371 2.159,372 0.815,373 3.305,374 1.629,375 0.708,376 1.01,378 1.755,379 0.649,380 1.049,381 -0.04,382 2.486,383 0.606,384 -0.307,385 -0.395,386 -0.707,387 -0.278,388 0.952,389 -0.248,390 2.364,391 0.523,392 -0.402,393 -0.51,394 -0.896,395 -0.371,396 0.765,397 -0.618,398 2,399 0.308,400 -0.633,401 -0.854,402 -1.74,403 -0.594,404 0.5,405 -1,406 2,407 -0.049,408 -1,409 -1.5,411 -2.675,412 -0.947,413 0.081,414 -1.11,415 1.861,416 -0.352,417 -1.276,418 -1.725,420 -3.312,421 -1.17,422 -0.086,423 -1.27,424 1.527,425 -0.468,426 -1.382,427 -1.844,429 -3.409,430 -1.259,431 -0.134,432 -1.515,433 1.257,434 -0.591,435 -1.547,436 -2.167,438 -4.463,439 -1.478,440 7.833,441 0.461,442 0.418,443 0.025,444 27,445 1.588,446 15,447 0.882,448 12,449 0.706,450 8.37,451 0.492,452 17.367,453 0.668,454 16.568,455 0.975,456 5.427,457 0.319,458 2.827,459 0.166,460 0.094,462 0.383,466 1.146,467 1.24,468 0.732,469 0.82,470 1.154,471 0.699,472 0.667,473 0.944,474 0.693,475 0.927,476 0.57,477 0.836,478 1.171,479 1.152,480 0.939,481 0.989,482 1.037,483 0.916,484 0.939,485 1.11,486 1.036,487 1.198,488 1.041,489 1.161,490 0.984,491 1.088,492 1.162,493 1.19,494 0.984,495 1.221,496 1.027,497 0.983,498 0.967,499 0.977,500 1.056,501 0.958,502 0.927,503 0.751,504 1.231,505 0.995,506 0.949,507 1.151,508 1.617,509 0.711,510 1.532,511 0.805,512 1.779,513 1.082,514 3,516 2,517 1.313,518 1.006,519 0.295,520 0.279,521 0.099,522 0.02,524 2226,525 7249,526 2.127,527 34.6,529 2,530 1,531 2,532 4,536 1.574,537 2,538 2.734,539 2.178,543 1,545 44.019,546 1.693,547 3.734,548 4.393,549 4.547,550 4.624,551 4.624,552 2.162,553 3.852,554 4.064,555 2.792,556 379.759,557 6.891,558 3335.39,560 1,563 122.211,564 1.379,565 4.023,566 0.158,568 0.074,569 0.05,570 0.044,571 0.017,572 0.02,573 0.012,574 0.01,576 0.386,577 0.5,578 1,579 0.604,580 68.429,581 -0.293,582 -0.108,583 -0.033,584 0.116,585 -0.314,586 0.11,587 0.101,588 0.175,589 0.045,590 0.018,591 0.085,592 0.013,593 -0.249,594 -0.131,595 -0.082,596 -0.036,597 -0.15,598 -0.013,599 0.063,600 -0.108,601 -0.178,602 -0.233,603 -0.01,604 -0.258,605 -0.03,606 -0.172,607 -0.167,608 -0.211,609 -0.03,610 -0.225,611 -0.016,612 -0.103,613 0.139,614 -0.023,615 -0.039,616 0.071,617 0.259,618 0.126,619 -0.091,620 -0.075,621 0.307,622 -0.153,623 -0.414,624 0.042,625 -0.23,626 0.156,627 -0.43,628 0.037,629 1.511,630 3.837,631 0.882,632 8.879,633 1.023,634 1.136,635 0.856,636 0.733,637 0.693,638 2.996,639 3.332,640 3.638,641 3.951,642 4.127,643 4.143,644 4.205,645 4.263,646 4.143,647 4.007,648 4.002,649 0.688,650 227.25,651 2.996,652 4.533,653 5.398,654 6.293,655 7.179,656 8.081,657 8.973,658 9.878,659 10.775,660 11.68,661 19.2,665 1,669 1,671 3,674 2,675 5,676 3,677 1,680 4,682 16,691 1,696 1,699 26,700 16,702 19,704 28,705 11,706 11,710 3,711 4,721 11,733 1,736 9,737 5,738 4,739 6,743 5,747 0.667,748 1,754 1,755 1,756 1,759 1,760 2,762 1,777 2,785 17,786 1,788 1,801 3.8,803 1,808 8.5,809 4.55,810 3.694,811 1.335,812 3.189,813 1.494,814 1.016,815 2.196,816 9.644,817 3.332,818 4.021,819 4.702,820 5.377,821 5.91,822 6.241,823 6.667,824 7.104,825 7.278,826 7.53,827 1,828 26,829 6.197,831 2.673,832 7.941,833 11.456,835 9.289,837 2.441,838 41.5,839 0.001,842 58.856,843 58.224,844 100.039,846 42.683,849 58.224,850 101.539,851 100.039,854 60.897,855 118.297,856 43.396,857 13.67,858 23.542,860 58.856,861 158.264,862 42.683,865 58.856,866 42.683,869 41.252,870 66.656,871 50.357,873 58.856,874 142.723,875 58.224,878 58.856,879 12.13,880 46.095,881 16.786,882 125.937,883 58.856,884 142.723,885 58.224,887 0.584,888 0.348,889 0.201,890 0.107,891 15,892 6,893 0.036,894 1,895 1,896 1.133,897 2.925,898 124.964,899 0.133,900 15,901 69.487,904 10.052,905 3.714,906 1.607,907 1.239,908 125.937,909 8.102,910 12.066,911 2.975,914 1.746,916 92.366,917 259.803,918 27,926 26.604,927 29.531,928 0.36,929 0.794,930 0.935,931 0.967,932 0.984,933 0.984,934 4.543,935 0.708,936 5.389,937 2.457,938 4.007,939 4.705,941 6.232,942 3.907,943 5.784,944 -0.307,945 6.963,946 1.755,947 3.611,948 4.559,950 7.213,951 3.479,952 7.11,953 -0.402,954 8.642,955 -0.707,956 5.617,957 7.031,959 10.363,960 5.443,961 8.479,962 -0.633,963 10.386,964 -0.896,965 6.066,966 7.764,968 12.233,969 5.879,970 9.883,971 -1,972 12.172,973 -1.74,974 7.548,975 9.678,977 14.906,978 7.324,979 11.313,980 -1.276,981 13.99,982 -2.675,983 8.392,984 10.834,986 17.128,987 8.161,988 12.764,989 -1.382,990 15.83,991 -3.312,992 9.669,993 12.516,995 19.645,996 9.408,997 3.231,998 -1.547,999 17.689,1000 -3.409,1001 10.694,1002 13.875,1004 22.003,1005 10.421,1006 2.631,1007 11.497,1008 19.561,1009 -4.463,1010 11.895,1011 15.462,1013 24.469,1014 11.596,1015 2.136,1016 8.142,1017 21.444,1018 4.627,1019 13,1020 16.914,1022 26.878,1023 12.685,1024 1.984,1025 5.916,1026 23.336,1027 3.675,1028 14.175,1029 18.464,1031 29.327,1032 13.837,1033 1.492,1034 5.672,1035 25.235,1036 2.882,1037 15.315,1038 19.958,1040 31.756,1041 14.957,1042 1.204,1043 3.874,1044 27.139,1045 2.799,1046 16.483,1047 21.494,1049 34.2,1050 16.102,1051 1,1052 2.742,1053 29.048,1054 2.178,1055 17.639,1056 23.007,1058 36.636,1059 17.237,1060 2191,1061 4036,1062 12.83,1063 18.006,1064 29.149,1065 28.714,1066 29.969,1067 28.811,1068 28.773,1069 40.876,1071 84.113,1072 27.223,1073 5.323,1074 5.272,1075 6.439,1076 5.277,1077 5.231,1078 7.627,1080 18.697,1081 5.094,1082 6.617,1083 1.534,1084 1.511,1085 1.577,1086 1.516,1087 1.514,1088 2.151,1090 4.427,1091 1.433,1092 4.123,1093 4.16,1094 4.097,1095 4.008,1096 6.47,1097 4.026,1098 3.776,1099 3.835,1100 3.736,1101 3.599,1102 5.237,1103 3.625,1104 3.379,1105 3.437,1106 3.29,1107 3.212,1108 4.993,1109 3.224,1110 3.039,1111 3.146,1112 2.923,1113 2.761,1114 4.598,1115 2.79,1116 2.915,1117 2.967,1118 2.817,1119 2.645,1120 4.311,1121 2.685,1122 2.626,1123 2.694,1124 2.538,1125 2.385,1126 3.908,1127 2.407,1128 2.364,1129 2.445,1130 2.218,1131 2.182,1132 3.58,1133 2.186,1134 2.231,1135 2.374,1136 1.984,1137 1.793,1138 3.42,1139 1.813,1140 0.246,1141 0.172,1142 0.362,1143 0.221,1144 0.17,1145 4.668,1146 0.244,1147 3.272,1149 6.886,1150 0.605,1151 4.206,1152 0.166,1153 3.231,1154 4.627,1156 11.497,1157 3.15,1158 1.894,1159 1.872,1160 1.948,1161 2.019,1162 1.069,1163 1.998,1164 1.733,1165 1.684,1166 1.826,1167 1.937,1168 0.808,1169 1.907,1170 1.386,1171 1.319,1172 1.539,1173 1.634,1174 0.512,1175 1.613,1176 1.024,1177 0.966,1178 1.261,1179 1.309,1180 0.28,1181 1.309,1182 0.927,1183 0.833,1184 1.169,1185 1.14,1187 1.154,1188 0.601,1189 0.556,1190 0.85,1191 1.014,1193 0.958,1194 0.381,1195 0.3,1196 0.652,1197 0.662,1199 0.657,1200 0.15,1202 0.527,1203 0.551,1205 0.562,1206 3.664,1208 4.99,1209 2.398,1210 6.524,1211 4.727,1212 8.153,1213 6.862,1214 9.832,1220 5.536,1221 9.837,1231 17.875,1232 44.019,1233 97.092,1234 114.211,1235 118.211,1236 120.211,1237 120.211,1238 19.822,1239 6.455,1240 100.71,1241 100.71,1242 17,1243 12.2,1244 4.087,1245 3.17,1246 23.578,1247 40,1248 36,1249 0.302,1250 111.582,1251 174.39,1252 264.02,1253 4495,1255 11.828,1256 0.696,1257 0.515,1258 11.828,1259 8.753,1260 8.254,1261 0.434,1262 0.263,1263 4.904,1264 7.88,1265 4.84,1266 4.005,1267 8.254,1268 4.994,1269 7.519,1270 0.278,1271 0.132,1272 7.519,1273 3.556,1274 6.383,1275 0.173,1276 0.068,1277 6.383,1278 2.502,1279 5.679,1280 0.111,1281 0.035,1282 5.679,1283 1.765,1284 4.399,1285 0.072,1286 0.018,1287 4.399,1288 1.085,1289 0.443,1290 52.161,1291 0.279,1292 16.64,1293 0.921,1294 92,1295 288.73,1296 102.568,1297 285.17,1298 395.44,1299 266,1300 110,1301 301.594,1302 120.153,1303 305.343,1304 447.13,1305 288,1306 7.456} {0 CHEMBL270926,1 1.757,2 7.158,3 2.247,4 5.049,5 75.684,6 8.786,7 0.762,8 3.571,9 3.674,10 3.345,11 3.163,12 4.748,13 3.134,14 4.04,15 4.192,16 3.661,17 3.482,18 5.167,19 3.452,20 4.066,21 4.213,22 3.671,23 3.532,24 5.19,25 3.505,26 4.147,27 4.303,28 3.648,29 3.565,30 5.293,31 3.512,32 4.206,33 4.395,34 3.506,35 3.545,36 5.249,37 3.436,38 4.175,39 4.414,40 3.392,41 3.385,42 5.152,43 3.254,44 3.904,45 4.148,46 3.176,47 3.103,48 4.893,49 2.957,50 3.623,51 3.881,52 2.659,53 2.823,54 4.481,55 2.603,56 0.042,57 0.499,58 5.14,59 2.693,60 4.933,61 2.961,62 0.23,63 0.784,64 14.215,65 4.627,66 15.654,67 4.936,68 0.124,69 0.787,70 9.591,71 4.28,72 10.236,73 4.912,74 0.281,75 0.843,76 11.62,77 4.617,78 18.537,79 5.118,80 0.216,81 0.853,82 13.669,83 5.743,84 17.845,85 6.9,86 0.251,87 0.825,88 16.424,89 5.44,90 20.702,91 6.546,92 0.258,93 0.609,94 14.37,95 4.498,96 20.173,97 5.355,98 0.107,99 0.448,100 10.314,101 3.711,102 10.22,103 4.509,104 9,105 29,106 0.328,107 0.709,108 0.831,109 0.855,110 0.867,111 0.867,112 3.012,113 0.99,114 -3,115 -3.01,116 -2.9,119 41.9,123 2,133 2,134 2,135 1,136 2,137 1,141 1,142 1,150 1,159 1,161 1,162 9,164 1,166 2,168 2,172 3,178 2,181 1,182 1,185 2,187 2,190 2,193 2,194 4,202 2,209 1,211 1,216 2,217 3,224 1,255 407,256 13.309,257 13.309,258 13.309,259 13.309,260 13.309,261 11.499,262 6.642,263 7.806,264 14.022,265 10.247,266 10.247,267 10.247,268 10.247,269 10.247,270 7.429,271 6.007,272 3.502,273 11.16,274 3.198,275 1.157,276 0.5,277 0.371,278 0.307,279 0.307,280 3.692,283 1,284 1,285 291,286 2.236,288 34.238,289 95.932,291 66.069,295 1.025,296 13.048,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 41,307 136,308 4.676,309 4.328,310 6.909,311 4.216,312 3.243,313 4.633,314 2.95,315 11.617,316 3.155,317 4.071,318 3.303,319 5.917,320 3.592,321 2.671,322 3.695,323 0.86,324 8.319,325 2.476,326 3.567,327 2.694,328 5.266,329 3.126,330 2.232,331 2.931,333 6.557,334 1.979,335 3.462,336 2.465,337 5.178,338 2.968,339 2.06,340 2.845,342 6.124,343 1.857,344 2.99,345 2.237,346 4.414,347 2.469,348 1.526,349 2.21,351 4.006,352 1.426,353 2.696,354 1.602,355 3.835,356 2.173,357 1.229,358 1.787,360 2.772,361 1.154,362 2.5,363 1.295,364 3.484,365 1.949,366 1,367 1.5,369 2.465,370 0.946,371 2.237,372 1.182,373 3.376,374 1.757,375 0.863,376 1.142,378 1.974,379 0.767,380 1.584,381 1,382 2.759,383 1.208,384 0.429,385 0.481,386 0.624,387 0.327,388 1.56,389 0.587,390 2.674,391 1.195,392 0.318,393 0.387,394 0.521,395 0.278,396 0.834,397 0.467,398 2.413,399 0.365,400 -0.576,401 -0.765,402 -1.287,403 -0.533,404 0.746,405 -0.308,406 2.245,407 0.297,408 -0.625,409 -0.826,411 -1.345,412 -0.569,413 0.595,414 -0.6,415 2,416 0.077,417 -0.794,418 -1.022,420 -1.969,421 -0.677,422 0.5,423 -1,424 1.724,425 -0.049,426 -1,427 -1.5,429 -2.696,430 -0.947,431 0.002,432 -1.089,433 1.642,434 -0.475,435 -1.412,436 -1.854,438 -3.961,439 -1.258,440 9.267,441 0.488,442 0.342,443 0.018,444 28,445 1.474,446 15,447 0.789,448 13,449 0.684,450 12.062,451 0.635,452 19.533,453 0.63,454 17.052,455 0.897,456 5.387,457 0.284,458 3.943,459 0.208,460 0.108,462 0.324,466 0.929,467 1.288,468 0.688,469 0.923,470 0.86,471 0.85,472 1.213,473 1.027,474 1.063,475 1.02,476 1.016,477 0.745,478 1.121,479 1.179,480 0.673,481 0.825,482 0.942,483 0.843,484 1.152,485 0.912,486 0.983,487 0.893,488 1.204,489 0.99,490 0.837,491 1.133,492 0.963,493 1.095,494 0.811,495 1.213,496 1.042,497 0.99,498 1.024,499 0.988,500 1.096,501 1.044,502 0.82,503 0.857,504 1.027,505 1.049,506 1.026,507 0.995,508 0.742,509 1.054,510 1.174,511 1.195,512 0.738,513 1.248,514 3,516 2,517 1.313,518 1.086,519 0.5,520 0.279,521 0.187,522 0.078,523 0.016,524 2964,525 9133,526 2.113,527 38.7,529 8,530 1,531 2,532 1,536 1.609,537 2,538 2.883,539 -0.198,541 1,543 1,545 54.455,546 1.757,547 3.797,548 4.454,549 4.583,550 4.647,551 4.647,552 2.249,553 3.787,554 4.22,555 2.951,556 504.662,557 7.216,558 4827.77,559 1,560 1,562 1,563 153.58,564 1.324,565 4.189,566 0.143,568 0.069,569 0.044,570 0.039,571 0.022,572 0.016,573 0.014,574 0.011,575 0.008,576 0.365,577 0.67,578 1,579 0.907,580 80.473,581 -0.084,582 -0.218,583 0.065,584 -0.031,585 -0.087,586 -0.009,587 -0.064,588 0.034,589 -0.025,590 0.008,591 -0.001,592 0.157,593 -0.147,594 -0.161,595 0.034,596 -0.004,597 -0.02,598 0.014,599 -0.032,600 0.144,601 -0.189,602 -0.036,603 -0.182,604 -0.148,605 0.039,606 -0.194,607 -0.126,608 -0.191,609 0.049,610 -0.263,611 -0.089,612 -0.029,613 -0.007,614 -0.022,615 -0.093,616 -0.055,617 0.187,618 0.079,619 0.128,620 0.013,621 0.059,622 0.044,623 -0.013,624 -0.164,625 -0.028,626 -0.113,627 0.105,628 -0.159,629 0.922,630 1.896,631 0.789,632 11.285,633 1.011,634 1.122,635 1.775,636 3.15,637 0.715,638 3.091,639 3.401,640 3.738,641 4.043,642 4.248,643 4.29,644 4.382,645 4.443,646 4.382,647 4.317,648 4.41,649 0.68,650 272.36,651 3.091,652 4.615,653 5.485,654 6.375,655 7.266,656 8.166,657 9.064,658 9.968,659 10.87,660 11.775,661 12.9,669 1,671 3,674 2,675 5,676 3,677 1,680 4,682 16,697 1,699 31,700 16,702 21,704 33,705 13,706 11,710 3,711 4,721 11,722 2,732 1,733 1,736 12,737 4,738 1,739 6,740 1,743 4,747 0.667,748 1,754 1,755 1,756 1,759 1,760 2,762 1,777 2,778 1,779 1,781 2,785 19,791 1,792 1,801 3.2,806 1,808 9.5,809 6.35,810 4.361,811 1.618,812 3.211,813 1.48,814 1.004,815 3.299,816 9.902,817 3.401,818 4.056,819 4.755,820 5.428,821 5.975,822 6.323,823 6.768,824 7.193,825 7.41,826 7.705,827 0.8,828 30,829 6.948,831 2.867,832 7.649,833 13.235,835 10.472,837 2.149,838 40.833,839 0.001,842 129.482,843 112.555,844 67.142,846 11,848 32.22,849 80.335,850 140.482,851 67.142,852 18.073,854 28,855 75.614,856 59.639,857 12.464,858 126.388,860 129.482,861 147.477,862 11,863 32.22,865 129.482,866 11,869 40.046,870 57.075,871 50.357,872 32.22,873 129.482,874 78.142,875 112.555,878 129.482,879 48.387,880 64.168,881 16.786,882 61.356,883 129.482,884 78.142,885 112.555,887 0.567,888 0.358,889 0.207,890 0.113,891 15,892 6,893 0.091,894 3,895 1,896 1.133,897 3.098,898 144.764,899 0.133,900 15,901 80.711,902 1,904 12.302,905 5.095,906 2.145,907 1.731,908 61.356,909 9.1,910 12.987,911 3.141,914 3.356,916 16.786,917 320.179,918 29,926 31.345,927 34.783,928 0.355,929 0.766,930 0.899,931 0.925,932 0.938,933 0.938,934 4.605,935 0.863,936 5.46,937 2.465,938 4.078,939 4.741,940 2.99,941 6.304,942 3.938,943 5.826,944 0.429,945 7.033,946 1.974,947 3.611,948 4.559,950 7.302,951 3.449,952 7.147,953 0.318,954 8.711,955 0.624,956 5.687,957 7.056,958 5.034,959 10.444,960 5.458,961 8.514,962 -0.576,963 10.455,964 0.521,965 6.111,966 7.783,968 12.324,969 5.877,970 9.918,971 -0.625,972 12.242,973 -1.287,974 7.614,975 9.698,976 7.185,977 14.991,978 7.335,979 11.349,980 -0.794,981 14.059,982 -1.345,983 8.447,984 10.854,986 17.22,987 8.167,988 12.8,989 -1,990 15.9,991 -1.969,992 9.731,993 12.535,994 9.348,995 19.739,996 9.419,997 3.243,998 -1.412,999 17.757,1000 -2.696,1001 10.751,1002 13.894,1004 22.106,1005 10.433,1006 2.671,1007 11.617,1008 19.628,1009 -3.961,1010 11.954,1011 15.48,1012 11.511,1013 24.578,1014 11.61,1015 2.232,1016 8.319,1017 21.51,1018 4.633,1019 13.058,1020 16.933,1022 26.996,1023 12.701,1024 2.06,1025 6.557,1026 23.401,1027 3.695,1028 14.235,1029 18.482,1030 13.675,1031 29.454,1032 13.854,1033 1.526,1034 6.124,1035 25.3,1036 2.931,1037 15.375,1038 19.978,1040 31.892,1041 14.977,1042 1.229,1043 4.006,1044 27.204,1045 2.845,1046 16.545,1047 21.514,1048 15.838,1049 34.346,1050 16.124,1051 1,1052 2.772,1053 29.113,1054 2.21,1055 17.702,1056 23.028,1058 36.792,1059 17.26,1060 2945,1061 5268,1062 14.216,1063 22.171,1064 31.067,1065 34.337,1066 32.565,1067 31.02,1068 31.14,1069 43.221,1070 7.62,1071 89.955,1072 28.734,1073 5.352,1074 6.328,1075 6.504,1076 5.288,1077 5.243,1078 7.633,1079 5.9,1080 18.839,1081 5.1,1082 7.5,1083 1.479,1084 1.635,1085 1.551,1086 1.477,1087 1.483,1088 2.058,1089 0.363,1090 4.284,1091 1.368,1092 4.125,1093 4.161,1094 4.114,1095 4.013,1096 5.112,1097 4.029,1098 3.767,1099 3.813,1100 3.918,1101 3.641,1102 4.921,1103 3.638,1104 3.414,1105 3.467,1106 3.467,1107 3.27,1108 4.571,1109 3.249,1110 3.217,1111 3.286,1112 3.284,1113 3.141,1114 4.305,1115 3.05,1116 3.18,1117 3.259,1118 3.025,1119 2.919,1120 3.937,1121 2.926,1122 2.802,1123 2.877,1124 2.693,1125 2.582,1126 3.886,1127 2.603,1128 2.654,1129 2.733,1130 2.495,1131 2.459,1132 3.613,1133 2.453,1134 2.517,1135 2.588,1136 2.412,1137 2.339,1138 3.495,1139 2.345,1140 0.223,1141 0.206,1142 0.329,1143 0.201,1144 0.154,1145 4.676,1146 0.221,1147 4.328,1148 0.14,1149 6.909,1150 0.553,1151 4.216,1152 0.15,1153 3.243,1154 4.633,1155 2.95,1156 11.617,1157 3.155,1158 1.896,1159 1.876,1160 1.948,1161 2.017,1162 1.085,1163 1.998,1164 1.733,1165 1.69,1166 1.813,1167 1.912,1168 0.831,1169 1.893,1170 1.396,1171 1.337,1172 1.575,1173 1.637,1174 0.67,1175 1.624,1176 1.218,1177 1.154,1178 1.533,1179 1.473,1180 0.567,1181 1.509,1182 1.159,1183 1.077,1184 1.493,1185 1.399,1186 0.501,1187 1.468,1188 0.997,1189 0.943,1190 1.175,1191 1.151,1192 0.279,1193 1.164,1194 0.615,1195 0.544,1196 0.741,1197 0.833,1199 0.843,1200 0.468,1201 0.401,1202 0.711,1203 0.73,1205 0.725,1206 3.761,1208 5.069,1209 2.398,1210 6.597,1211 4.727,1212 8.226,1213 6.862,1214 9.906,1216 3.606,1224 5.396,1225 1.516,1231 21.095,1232 54.455,1233 117.706,1234 138.07,1235 142.07,1236 144.07,1237 144.07,1238 19.692,1239 6.691,1240 63.69,1241 88.99,1242 17,1243 12.294,1244 4.087,1245 3.17,1246 27.608,1247 49,1248 53,1249 0.285,1250 135.103,1251 216.5,1252 321.412,1253 6103,1255 13.242,1256 0.697,1257 0.598,1258 13.596,1259 11.361,1260 9.33,1261 0.444,1262 0.33,1263 5.707,1264 8.422,1265 5.398,1266 4.523,1267 9.888,1268 6.932,1269 7.879,1270 0.272,1271 0.16,1272 8.372,1273 4.641,1274 7.134,1275 0.174,1276 0.083,1277 7.608,1278 3.409,1279 6.165,1280 0.11,1281 0.042,1282 6.53,1283 2.344,1284 4.983,1285 0.072,1286 0.022,1287 5.308,1288 1.537,1289 0.423,1290 64.443,1291 0.265,1292 18.497,1293 0.856,1294 100,1295 313.864,1296 130.26,1297 323.247,1298 448.66,1299 306,1300 120,1301 321.978,1302 144.012,1303 339.41,1304 497.02,1305 316,1306 6} {0 CHEMBL271195,1 1.697,2 6.941,3 1.958,4 3.832,5 69.48,6 11.606,7 0.842,8 3.388,9 3.508,10 3.327,11 2.994,12 4.631,13 2.997,14 3.816,15 3.954,16 3.789,17 3.365,18 5.101,19 3.35,20 3.953,21 4.13,22 3.73,23 3.419,24 5.101,25 3.367,26 3.868,27 4.035,28 3.655,29 3.324,30 5.022,31 3.255,32 3.85,33 4.06,34 3.512,35 3.215,36 4.953,37 3.108,38 3.69,39 3.935,40 3.163,41 2.908,42 4.812,43 2.817,44 3.406,45 3.668,46 3.172,47 2.587,48 4.58,49 2.467,50 2.912,51 3.182,52 2.884,53 2.219,54 3.895,55 1.997,56 0.073,57 0.432,58 0.941,59 1.667,60 7.103,61 1.572,62 0.175,63 0.656,64 3.041,65 2.83,66 13.752,67 3.034,68 0.181,69 0.701,70 9.597,71 3.796,72 15.608,73 3.761,74 0.175,75 0.636,76 8.017,77 3.453,78 12.992,79 3.476,80 0.175,81 0.589,82 10.78,83 3.98,84 15.082,85 4.377,86 0.192,87 0.499,88 12.027,89 3.373,90 16.888,91 3.792,92 0.19,93 0.358,94 6.791,95 2.365,96 17.959,97 2.525,98 0.103,99 0.184,100 10.1,101 2.084,102 10.453,103 2.096,104 5,105 27,106 0.331,107 0.704,108 0.853,109 0.89,110 0.89,111 0.89,112 2.91,113 0.909,114 -3.28,115 -3.26,116 -3.13,118 1,119 44,133 3,134 2,136 1,137 1,138 1,141 1,142 1,150 1,152 1,153 1,154 1,159 3,161 1,162 6,163 2,164 3,166 2,168 4,172 3,176 1,178 3,182 2,185 1,187 5,190 2,192 2,193 1,194 3,199 1,202 2,204 1,206 1,209 1,210 1,211 1,212 1,215 1,216 1,217 2,219 1,220 1,222 1,224 1,226 1,242 1,247 1,252 1,255 288,256 11.516,257 11.516,258 11.516,259 11.516,260 11.516,261 9.621,262 4.806,263 6.744,264 11.974,265 9.392,266 9.392,267 9.392,268 9.392,269 9.392,270 6.597,271 3.176,272 3.219,273 10.204,274 2.947,275 1.035,276 0.27,277 0.08,278 0.08,279 0.08,280 3.586,284 1,285 256,286 1.732,288 30.129,289 83.213,291 56.95,295 1.128,296 12.336,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 36.25,307 118,308 4.608,309 3.197,310 6.715,311 4.142,312 3.168,313 4.552,315 10.928,316 3.087,317 4.05,318 2.839,319 5.806,320 3.554,321 2.629,322 3.683,324 8.016,325 2.436,326 3.655,327 2.54,328 5.107,329 3.138,330 2.262,331 3.1,333 6.2,334 1.975,335 3.324,336 2.086,337 4.871,338 2.829,339 1.939,340 2.633,342 5.458,343 1.628,344 3.001,345 1.523,346 4.454,347 2.47,348 1.514,349 2.24,351 4.215,352 1.438,353 2.737,354 1.316,355 3.983,356 2.225,357 1.27,358 1.844,360 3.154,361 1.191,362 2.544,363 1.066,364 3.472,365 1.98,366 1.049,367 1.565,369 2.495,370 0.968,371 2.035,372 0.635,373 3.21,374 1.491,375 0.557,376 0.816,378 1.363,379 0.504,380 1.012,381 0.147,382 2.484,383 0.544,384 -0.335,385 -0.426,386 -0.788,387 -0.19,388 0.916,389 -0.248,390 2.371,391 0.427,392 -0.419,393 -0.524,394 -0.969,395 -0.371,396 0.756,397 -0.638,398 2,399 0.248,400 -0.673,401 -0.924,402 -1.904,403 -0.612,404 0.55,405 -0.903,406 2,407 0.01,408 -0.937,409 -1.383,411 -2.61,412 -0.868,413 0.019,414 -1.085,415 1.862,416 -0.407,417 -1.294,418 -1.731,420 -3.28,421 -1,422 -0.018,423 -1.267,424 1.53,425 -0.568,426 -1.368,427 -1.852,429 -3.409,430 -1.244,431 -0.112,432 -1.501,433 1.137,434 -0.618,435 -1.516,436 -2.143,438 -4.791,439 -1.436,440 8.833,441 0.52,442 0.435,443 0.026,444 26.25,445 1.544,446 14.5,447 0.853,448 11.75,449 0.691,450 10.242,451 0.602,452 16.367,453 0.655,454 14.439,455 0.849,456 4.989,457 0.293,458 3.248,459 0.191,460 0.196,462 0.34,466 1.071,467 1.202,468 0.457,469 0.614,470 1.205,471 0.631,472 0.565,473 0.915,474 0.55,475 0.756,476 0.472,477 0.777,478 1.181,479 1.072,480 0.801,481 0.839,482 0.973,483 0.89,484 0.965,485 1.109,486 0.871,487 1.096,488 1.007,489 1.173,490 0.936,491 1.063,492 0.876,493 1.025,494 0.918,495 1.132,496 0.979,497 1.001,498 0.743,499 0.923,500 1.115,501 1.025,502 1.085,503 0.723,504 0.851,505 0.84,506 1.266,507 0.979,508 1.471,509 0.68,510 2.081,511 1.144,512 1.573,513 0.973,514 3.5,516 2,517 1.257,518 0.881,519 0.375,520 0.298,521 0.127,522 0.082,523 0.016,524 2306,525 8259,526 2.127,527 32,529 3,530 1,531 1,532 3,536 1.571,537 2,538 2.836,539 1.309,543 1,545 42.433,546 1.697,547 3.609,548 4.374,549 4.564,550 4.564,551 4.564,552 2.307,553 4.087,554 4.061,555 2.903,556 394.875,557 6.873,558 3443.17,559 1,560 1,562 1,563 116.096,564 1.379,565 4.023,566 0.184,568 0.074,569 0.05,570 0.042,571 0.022,572 0.023,573 0.016,574 0.021,575 0.008,576 0.44,577 0.67,578 1,579 0.604,580 68.986,581 -0.265,582 -0.111,583 -0.01,584 0.058,585 -0.365,586 0.072,587 0.292,588 0.151,589 0.025,590 -0.015,591 0.282,592 -0.012,593 -0.286,594 -0.078,595 -0.052,596 0.018,597 -0.152,598 -0.004,599 -0.101,600 -0.125,601 -0.074,602 -0.229,603 -0.194,604 -0.294,605 -0.05,606 -0.158,607 -0.029,608 -0.074,609 -0.023,610 -0.114,611 0.049,612 -0.09,613 -0.008,614 -0.001,615 0.019,616 0.022,617 0.097,618 0.206,619 0.088,620 0.163,621 0.084,622 0.095,623 -0.27,624 0.108,625 -0.058,626 0.351,627 -0.245,628 0.361,629 1.401,630 1.577,631 0.882,632 9.467,633 1.02,634 1.127,635 2.046,636 4.187,637 0.756,638 2.996,639 3.332,640 3.611,641 3.912,642 4.111,643 4.159,644 4.234,645 4.277,646 4.143,647 4.043,648 4.193,649 0.727,650 290.14,651 2.996,652 4.533,653 5.389,654 6.279,655 7.155,656 8.051,657 8.936,658 9.834,659 10.724,660 11.623,661 20,665 1,669 1,671 3,674 2,675 5,676 3,677 1,680 4,682 16,691 1,698 1,699 25,700 16,702 19,703 1,704 27,705 11,706 11,710 3,711 4,721 11,733 1,736 8,737 4,738 3,739 6,740 1,743 5,747 0.667,754 1,755 1,756 1,759 1,760 2,762 1,777 2,780 1,785 17,786 1,800 1,808 8.5,809 4.493,810 3.667,811 1.325,812 3.178,813 1.492,814 1.065,815 2.481,816 9.633,817 3.332,818 4.021,819 4.681,820 5.351,821 5.906,822 6.256,823 6.694,824 7.113,825 7.268,826 7.557,827 0.8,828 25,829 6.187,831 2.617,832 7.75,833 11.651,835 9.427,837 2.25,838 38.25,839 0.001,842 58.856,843 61.28,844 145.993,849 107.234,850 58.856,851 100.039,854 70.373,855 63.843,856 34.348,857 16.296,858 81.267,860 58.856,861 161.319,864 45.954,865 58.856,869 32.204,870 78.758,871 50.357,872 45.954,873 58.856,874 100.039,875 107.234,878 58.856,879 14.756,880 46.524,881 62.74,882 83.254,883 58.856,884 100.039,885 107.234,887 0.586,888 0.338,889 0.19,890 0.106,891 15,892 6,893 0.037,894 1,895 1,896 1.133,897 2.956,898 123.566,899 0.133,900 15,901 69.487,904 10.538,905 4.002,906 1.868,907 1.817,908 83.254,909 9.205,910 12.403,911 3.105,914 2.81,916 49.683,917 266.128,918 27,926 25.505,927 28.164,928 0.365,929 0.777,930 0.942,931 0.983,932 0.983,933 0.983,934 4.543,935 0.557,936 5.38,937 2.495,938 4.007,939 4.705,941 6.201,942 3.865,943 5.784,944 -0.335,945 6.94,946 1.363,947 3.611,948 4.559,950 7.111,951 3.376,952 7.107,953 -0.419,954 8.6,955 -0.788,956 5.602,957 7.019,959 10.232,960 5.37,961 8.469,962 -0.673,963 10.32,964 -0.969,965 6.019,966 7.72,968 12.012,969 5.748,970 9.863,971 -0.937,972 12.08,973 -1.904,974 7.496,975 9.634,977 14.653,978 7.213,979 11.282,980 -1.294,981 13.869,982 -2.61,983 8.299,984 10.751,986 16.793,987 8.004,988 12.719,989 -1.368,990 15.681,991 -3.28,992 9.568,993 12.43,995 19.271,996 9.255,997 3.168,998 -1.516,999 17.51,1000 -3.409,1001 10.554,1002 13.754,1004 21.559,1005 10.234,1006 2.629,1007 10.928,1008 19.353,1009 -4.791,1010 11.741,1011 15.331,1013 23.98,1014 11.401,1015 2.262,1016 8.016,1017 21.207,1018 4.552,1019 12.813,1020 16.755,1022 26.327,1023 12.463,1024 1.939,1025 6.2,1026 23.07,1027 3.683,1028 13.97,1029 18.291,1031 28.728,1032 13.599,1033 1.514,1034 5.458,1035 24.94,1036 3.1,1037 15.082,1038 19.761,1040 31.1,1041 14.696,1042 1.27,1043 4.215,1044 26.816,1045 2.633,1046 16.23,1047 21.281,1049 33.495,1050 15.824,1051 1.049,1052 3.154,1053 28.696,1054 2.24,1055 17.361,1056 22.774,1058 35.877,1059 16.936,1060 2264,1061 4376,1062 12.83,1063 18.904,1064 29.168,1065 28.919,1066 29.761,1067 29.005,1068 28.775,1069 40.87,1071 83.658,1072 26.454,1073 5.262,1074 5.197,1075 6.267,1076 5.213,1077 5.168,1078 7.552,1080 18.104,1081 5.032,1082 6.851,1083 1.535,1084 1.522,1085 1.566,1086 1.527,1087 1.514,1088 2.151,1090 4.403,1091 1.392,1092 4.122,1093 4.16,1094 6.88,1095 4.02,1096 5.24,1097 4.03,1098 3.776,1099 3.835,1100 4.067,1101 3.612,1102 5.039,1103 3.63,1104 3.375,1105 3.427,1106 3.719,1107 3.278,1108 4.601,1109 3.257,1110 3.035,1111 3.145,1112 3.161,1113 2.763,1114 4.341,1115 2.788,1116 2.861,1117 2.928,1118 2.899,1119 2.707,1120 3.961,1121 2.689,1122 2.576,1123 2.641,1124 2.733,1125 2.465,1126 3.798,1127 2.44,1128 2.367,1129 2.442,1130 2.391,1131 2.18,1132 3.457,1133 2.187,1134 2.228,1135 2.372,1136 2.169,1137 1.797,1138 3.299,1139 1.813,1140 0.243,1141 0.168,1142 0.353,1143 0.218,1144 0.167,1145 4.608,1146 0.24,1147 3.197,1149 6.715,1150 0.575,1151 4.142,1152 0.162,1153 3.168,1154 4.552,1156 10.928,1157 3.087,1158 1.9,1159 1.876,1160 1.947,1161 2.008,1162 1.085,1163 1.995,1164 1.733,1165 1.686,1166 1.811,1167 1.926,1168 0.815,1169 1.9,1170 1.387,1171 1.319,1172 1.544,1173 1.63,1174 0.514,1175 1.614,1176 1.016,1177 0.972,1178 1.257,1179 1.303,1180 0.252,1181 1.306,1182 0.924,1183 0.834,1184 1.096,1185 1.093,1187 1.111,1188 0.562,1189 0.507,1190 0.682,1191 0.765,1193 0.78,1194 0.38,1195 0.297,1196 0.651,1197 0.659,1199 0.655,1200 0.15,1202 0.526,1203 0.551,1205 0.562,1206 3.664,1208 4.99,1209 2.398,1210 6.515,1211 4.727,1212 8.13,1213 6.843,1214 9.793,1215 3.333,1220 5.577,1231 18.186,1232 42.433,1233 90.222,1234 109.342,1235 114.096,1236 114.096,1237 114.096,1238 15.805,1239 6.455,1240 80.48,1241 80.48,1242 17,1243 12.147,1244 4.087,1245 3.17,1246 23.673,1247 42,1248 41,1249 0.289,1250 119.5,1251 184.88,1252 283.339,1253 4497,1254 4,1255 11.828,1256 0.696,1257 0.604,1258 12.828,1259 10.27,1260 8.237,1261 0.434,1262 0.303,1263 4.939,1264 7.389,1265 4.812,1266 3.973,1267 8.815,1268 5.757,1269 7.615,1270 0.282,1271 0.161,1272 8.432,1273 4.345,1274 6.307,1275 0.175,1276 0.08,1277 6.831,1278 2.896,1279 5.494,1280 0.112,1281 0.041,1282 5.963,1283 2.026,1284 4.354,1285 0.073,1286 0.022,1287 4.839,1288 1.349,1289 0.43,1290 59.808,1291 0.279,1292 16.79,1293 0.86,1294 92,1295 275.235,1296 168.551,1297 311.231,1298 423.62,1299 290,1300 109,1301 297.649,1302 145.59,1303 315.06,1304 462.05,1305 297,1306 6.523} {0 CHEMBL271597,1 1.697,2 6.353,3 1.639,4 2.687,5 65.82,6 9.828,7 0.842,8 3.391,9 3.511,10 3.185,11 2.969,12 4.657,13 2.987,14 3.819,15 3.959,16 3.576,17 3.349,18 5.114,19 3.345,20 3.964,21 4.135,22 3.606,23 3.408,24 5.159,25 3.38,26 3.888,27 4.039,28 3.599,29 3.338,30 5.157,31 3.295,32 3.863,33 4.064,34 3.278,35 3.167,36 5.04,37 3.089,38 3.703,39 3.939,40 3.114,41 2.918,42 4.882,43 2.851,44 3.425,45 3.672,46 2.807,47 2.525,48 4.741,49 2.438,50 2.909,51 3.197,52 1.541,53 1.891,54 3.91,55 1.702,56 0.084,57 0.432,58 2.688,59 1.61,60 7.546,61 1.602,62 0.178,63 0.647,64 4.939,65 2.77,66 13.846,67 3.059,68 0.214,69 0.675,70 8.982,71 3.42,72 18.735,73 3.649,74 0.235,75 0.6,76 8.198,77 3.196,78 17.394,79 3.415,80 0.234,81 0.559,82 10.669,83 3.562,84 19.302,85 4.222,86 0.218,87 0.47,88 9.645,89 2.997,90 19.515,91 3.644,92 0.242,93 0.324,94 8.378,95 2.101,96 23.508,97 2.469,98 0.128,99 0.168,100 7.105,101 1.549,102 12.997,103 1.902,104 5,105 27,106 0.331,107 0.709,108 0.843,109 0.874,110 0.89,111 0.89,112 2.911,113 0.843,114 -3.14,115 -3.13,116 -3.01,119 44,133 2,134 2,135 1,136 2,137 1,141 1,142 1,150 1,152 1,153 1,154 1,159 1,161 1,162 5,163 2,164 3,166 2,168 4,172 2,178 3,182 2,185 1,187 5,192 2,193 1,194 4,199 1,202 2,204 1,209 1,210 1,212 1,216 1,217 2,219 1,220 1,222 2,226 2,255 288,256 11.569,257 11.569,258 11.569,259 11.569,260 11.569,261 9.654,262 4.764,263 6.781,264 11.961,265 9.382,266 9.382,267 9.382,268 9.382,269 9.382,270 6.578,271 3.141,272 3.202,273 10.066,274 2.947,275 1.005,276 0.32,277 0.16,278 0.08,279 0.08,280 3.586,281 1,284 1,285 234,286 1.732,288 29.314,289 82.356,291 56.484,295 0.962,296 14.773,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 36.833,307 108,308 4.668,309 3.345,310 6.886,311 4.196,312 3.231,313 4.627,315 11.497,316 3.113,317 4.047,318 2.76,319 5.877,320 3.565,321 2.631,322 3.675,324 8.142,325 2.45,326 3.51,327 2.419,328 5.043,329 3.058,330 2.136,331 2.882,333 5.916,334 1.96,335 3.414,336 2.135,337 5.015,338 2.864,339 1.984,340 2.799,342 5.672,343 1.688,344 2.964,345 1.513,346 4.324,347 2.448,348 1.492,349 2.178,351 3.874,352 1.423,353 2.681,354 1.224,355 3.8,356 2.157,357 1.204,358 1.766,360 2.742,361 1.143,362 2.5,363 1,364 3.472,365 1.949,366 1,367 1.5,369 2.457,370 0.946,371 2.159,372 0.929,373 3.305,374 1.598,375 0.708,376 1.01,378 1.755,379 0.6,380 1.049,381 0.134,382 2.486,383 0.539,384 -0.307,385 -0.395,386 -0.707,387 -0.205,388 0.952,389 -0.248,390 2.364,391 0.49,392 -0.402,393 -0.51,394 -0.896,395 -0.369,396 0.765,397 -0.618,398 2,399 0.308,400 -0.633,401 -0.854,402 -1.74,403 -0.594,404 0.5,405 -1,406 2,407 -0.049,408 -1,409 -1.5,411 -2.675,412 -0.947,413 0.081,414 -1.032,415 1.861,416 -0.393,417 -1.276,418 -1.725,420 -3.312,421 -1.006,422 -0.086,423 -1.268,424 1.527,425 -0.535,426 -1.382,427 -1.844,429 -3.409,430 -1.246,431 -0.134,432 -1.51,433 1.257,434 -0.657,435 -1.547,436 -2.167,438 -4.463,439 -1.449,440 8.214,441 0.483,442 0.418,443 0.025,444 26.5,445 1.559,446 14.5,447 0.853,448 12,449 0.706,450 9.26,451 0.545,452 16.986,453 0.679,454 15.678,455 0.922,456 5.259,457 0.309,458 2.995,459 0.176,460 0.136,462 0.365,466 0.969,467 1.246,468 0.532,469 0.727,470 1.038,471 0.662,472 0.677,473 0.89,474 0.597,475 0.751,476 0.561,477 0.761,478 1.208,479 1.088,480 0.961,481 0.854,482 1.033,483 0.855,484 0.966,485 1.091,486 1.131,487 1.169,488 0.993,489 1.126,490 0.944,491 1.121,492 1.178,493 1.297,494 0.948,495 1.266,496 1.047,497 0.998,498 0.999,499 0.959,500 1.126,501 0.98,502 1.003,503 0.754,504 1.274,505 1.144,506 1.037,507 1.181,508 1.565,509 0.812,510 1.822,511 1.32,512 1.745,513 1.366,514 3,516 2,517 1.313,518 1.006,519 0.295,520 0.279,521 0.099,522 0.02,524 2226,525 7755,526 2.127,527 32,529 2,530 1,531 2,532 3,536 1.574,537 2,538 2.734,539 1.309,543 1,545 42.433,546 1.697,547 3.639,548 4.324,549 4.484,550 4.564,551 4.564,552 2.162,553 3.852,554 4.064,555 2.792,556 379.759,557 6.891,558 3335.39,560 1,562 1,563 116.096,564 1.379,565 4.023,566 0.158,568 0.074,569 0.05,570 0.044,571 0.017,572 0.02,573 0.012,574 0.01,576 0.386,577 0.67,578 1,579 0.604,580 68.429,581 -0.235,582 -0.129,583 -0.017,584 0.064,585 -0.3,586 0.075,587 0.12,588 0.199,589 0.028,590 0.084,591 0.144,592 0.031,593 -0.284,594 -0.09,595 -0.061,596 0.072,597 -0.182,598 0.041,599 0.021,600 -0.103,601 -0.099,602 -0.227,603 -0.074,604 -0.248,605 0.003,606 -0.219,607 -0.138,608 -0.295,609 -0.008,610 -0.249,611 -0.008,612 -0.1,613 0.068,614 0.052,615 -0.026,616 0.077,617 0.233,618 0.145,619 -0.02,620 -0.122,621 0.305,622 -0.128,623 -0.376,624 -0.064,625 -0.38,626 -0.155,627 -0.395,628 -0.107,629 1.433,630 2.047,631 0.882,632 8.879,633 1.024,634 1.131,635 1.909,636 3.645,637 0.736,638 2.996,639 3.332,640 3.638,641 3.951,642 4.127,643 4.143,644 4.205,645 4.263,646 4.143,647 4.007,648 4.002,649 0.72,650 245.69,651 2.996,652 4.533,653 5.398,654 6.293,655 7.179,656 8.081,657 8.973,658 9.878,659 10.775,660 11.68,661 20,665 1,669 1,671 3,674 2,675 5,676 3,677 1,680 4,682 16,691 1,698 1,699 25,700 16,702 19,704 27,705 11,706 11,710 3,711 4,712 1,721 11,733 1,736 8,737 4,738 3,739 6,740 1,743 5,747 0.667,754 1,755 1,756 1,759 1,760 2,762 1,777 2,782 1,785 17,786 1,800 1,808 8.5,809 4.493,810 3.694,811 1.32,812 3.189,813 1.494,814 1.057,815 2.372,816 9.644,817 3.332,818 4.021,819 4.702,820 5.377,821 5.91,822 6.241,823 6.667,824 7.104,825 7.278,826 7.53,827 1,828 26,829 6.183,831 2.638,832 7.83,833 11.541,835 9.355,837 2.33,838 39.611,839 0.001,842 58.856,843 61.725,844 100.039,845 39.149,849 61.725,850 98.004,851 100.039,854 60.897,855 75.614,856 46.896,857 13.67,858 23.542,859 39.149,860 58.856,861 161.764,863 39.149,865 58.856,869 41.252,870 70.156,871 89.505,873 58.856,874 100.039,875 100.874,878 58.856,879 15.63,880 46.095,881 16.786,882 122.402,883 58.856,884 100.039,885 100.874,887 0.584,888 0.348,889 0.201,890 0.107,891 15,892 6,893 0.037,894 1,895 1,896 1.133,897 2.925,898 124.964,899 0.133,900 15,901 69.487,904 10.355,905 3.893,906 1.704,907 1.567,908 83.254,909 8.597,910 12.223,911 3.05,914 2.45,916 49.683,917 259.769,918 27,926 25.6,927 28.266,928 0.365,929 0.784,930 0.931,931 0.966,932 0.983,933 0.983,934 4.543,935 0.708,936 5.389,937 2.457,938 4.007,939 4.705,941 6.232,942 3.875,943 5.784,944 -0.307,945 6.963,946 1.755,947 3.611,948 4.559,950 7.213,951 3.402,952 7.11,953 -0.402,954 8.642,955 -0.707,956 5.617,957 7.031,959 10.363,960 5.39,961 8.479,962 -0.633,963 10.386,964 -0.896,965 6.066,966 7.764,968 12.233,969 5.792,970 9.883,971 -1,972 12.172,973 -1.74,974 7.548,975 9.678,977 14.906,978 7.252,979 11.313,980 -1.276,981 13.99,982 -2.675,983 8.392,984 10.834,986 17.128,987 8.064,988 12.764,989 -1.382,990 15.83,991 -3.312,992 9.669,993 12.516,995 19.645,996 9.314,997 3.231,998 -1.547,999 17.689,1000 -3.409,1001 10.694,1002 13.875,1004 22.003,1005 10.309,1006 2.631,1007 11.497,1008 19.561,1009 -4.463,1010 11.895,1011 15.462,1013 24.469,1014 11.48,1015 2.136,1016 8.142,1017 21.444,1018 4.627,1019 13,1020 16.914,1022 26.878,1023 12.554,1024 1.984,1025 5.916,1026 23.336,1027 3.675,1028 14.175,1029 18.464,1031 29.327,1032 13.697,1033 1.492,1034 5.672,1035 25.235,1036 2.882,1037 15.315,1038 19.958,1040 31.756,1041 14.805,1042 1.204,1043 3.874,1044 27.139,1045 2.799,1046 16.483,1047 21.494,1049 34.2,1050 15.94,1051 1,1052 2.742,1053 29.048,1054 2.178,1055 17.639,1056 23.007,1058 36.636,1059 17.062,1060 2191,1061 4176,1062 12.83,1063 18.409,1064 29.149,1065 29.06,1066 29.969,1067 28.932,1068 28.773,1069 40.876,1071 84.113,1072 26.645,1073 5.323,1074 5.345,1075 6.439,1076 5.268,1077 5.231,1078 7.627,1080 18.697,1081 5.057,1082 6.617,1083 1.534,1084 1.529,1085 1.577,1086 1.523,1087 1.514,1088 2.151,1090 4.427,1091 1.402,1092 4.124,1093 4.16,1094 4.163,1095 4.02,1096 5.244,1097 4.033,1098 3.776,1099 3.835,1100 3.77,1101 3.605,1102 5.097,1103 3.628,1104 3.373,1105 3.432,1106 3.517,1107 3.225,1108 4.638,1109 3.231,1110 3.036,1111 3.145,1112 3.127,1113 2.767,1114 4.566,1115 2.793,1116 2.873,1117 2.929,1118 2.873,1119 2.682,1120 4.282,1121 2.695,1122 2.581,1123 2.645,1124 2.627,1125 2.402,1126 3.894,1127 2.409,1128 2.364,1129 2.444,1130 2.22,1131 2.184,1132 3.498,1133 2.186,1134 2.228,1135 2.372,1136 2.198,1137 1.793,1138 3.344,1139 1.813,1140 0.246,1141 0.176,1142 0.362,1143 0.221,1144 0.17,1145 4.668,1146 0.244,1147 3.345,1149 6.886,1150 0.605,1151 4.196,1152 0.164,1153 3.231,1154 4.627,1156 11.497,1157 3.113,1158 1.897,1159 1.875,1160 1.935,1161 2.008,1162 1.079,1163 1.992,1164 1.733,1165 1.685,1166 1.82,1167 1.932,1168 0.811,1169 1.904,1170 1.386,1171 1.319,1172 1.536,1173 1.624,1174 0.513,1175 1.608,1176 1.024,1177 0.965,1178 1.261,1179 1.307,1180 0.28,1181 1.308,1182 0.927,1183 0.833,1184 1.168,1185 1.14,1187 1.154,1188 0.545,1189 0.501,1190 0.699,1191 0.748,1193 0.758,1194 0.379,1195 0.297,1196 0.651,1197 0.66,1199 0.656,1200 0.15,1202 0.526,1203 0.551,1205 0.562,1206 3.664,1208 4.99,1209 2.398,1210 6.524,1211 4.727,1212 8.153,1213 6.862,1214 9.832,1217 6.159,1220 5.566,1231 17.988,1232 42.433,1233 90.977,1234 108.096,1235 112.096,1236 114.096,1237 114.096,1238 17.514,1239 6.455,1240 80.48,1241 80.48,1242 17,1243 12.2,1244 4.087,1245 3.17,1246 23.578,1247 40,1248 36,1249 0.302,1250 115.919,1251 180.81,1252 274.601,1253 4495,1254 4,1255 11.828,1256 0.696,1257 0.555,1258 12.328,1259 9.44,1260 8.254,1261 0.434,1262 0.281,1263 4.915,1264 7.655,1265 4.807,1266 3.967,1267 8.543,1268 5.338,1269 7.519,1270 0.278,1271 0.145,1272 7.889,1273 3.926,1274 6.383,1275 0.173,1276 0.075,1277 6.72,1278 2.788,1279 5.679,1280 0.111,1281 0.039,1282 6.04,1283 1.99,1284 4.399,1285 0.072,1286 0.02,1287 4.68,1288 1.226,1289 0.443,1290 54.759,1291 0.279,1292 16.64,1293 0.921,1294 92,1295 282.784,1296 115.984,1297 310.965,1298 423.16,1299 290,1300 110,1301 299.426,1302 129.87,1303 313.813,1304 460.79,1305 296,1306 6.886} {0 CHEMBL296586,1 1.598,2 6.8,3 3.671,4 13.478,5 81.527,6 10.555,7 0.696,8 3.578,9 3.674,10 3.453,11 3.281,12 4.708,13 3.251,14 4.076,15 4.189,16 3.916,17 3.716,18 5.211,19 3.664,20 4.379,21 4.53,22 4.018,23 3.885,24 5.471,25 3.812,26 4.407,27 4.589,28 3.951,29 3.827,30 5.478,31 3.743,32 4.328,33 4.522,34 3.962,35 3.702,36 5.477,37 3.606,38 4.167,39 4.37,40 3.589,41 3.484,42 5.281,43 3.33,44 3.766,45 3.986,46 3.72,47 3.087,48 4.923,49 2.928,50 3.241,51 3.487,52 2.923,53 2.584,54 4.122,55 2.298,56 0.03,57 0.403,58 2.468,59 2.318,60 4.117,61 2.678,62 0.072,63 0.658,64 4.917,65 4.249,66 10.09,67 5.158,68 0.163,69 0.912,70 18.475,71 6.594,72 24.117,73 7.122,74 0.159,75 0.98,76 15.897,77 6.759,78 17.22,79 7.84,80 0.213,81 0.865,82 15.009,83 6.6,84 26.79,85 7.775,86 0.194,87 0.691,88 26.28,89 6.868,90 32.519,91 7.433,92 0.182,93 0.457,94 14.759,95 4.623,96 24.701,97 5.111,98 0.082,99 0.261,100 16.044,101 3.356,102 11.86,103 3.674,104 5,105 34,106 0.294,107 0.656,108 0.772,109 0.889,110 0.901,111 0.901,112 3.061,113 0.94,114 -4.44,115 -4.37,116 -4.12,117 1,119 51.6,121 1,133 7,134 3,135 2,143 2,147 1,159 8,162 1,164 1,166 7,168 11,172 1,176 7,178 11,182 3,186 1,187 4,190 10,194 3,197 1,199 3,202 10,206 2,211 1,213 7,217 2,222 2,224 5,237 3,250 1,255 374,256 13.671,257 13.671,258 13.671,259 13.671,260 13.671,261 11.645,262 12.06,263 7.934,264 13.909,265 11.397,266 11.397,267 11.397,268 11.397,269 11.397,270 8.281,271 15.404,272 3.815,273 11.846,274 3.357,275 1.397,276 0.763,277 0.129,278 0.065,279 0.065,280 3.762,283 1,284 1,285 305,286 2,288 19.565,289 60.039,290 30.913,291 41.359,292 42.873,293 52.459,295 1.04,296 14.78,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 41.75,307 136,308 4.708,309 3.676,310 6.927,311 4.287,312 3.305,313 4.64,314 1.987,315 11.72,316 3.246,317 4.224,318 3.255,319 6.304,320 3.8,321 2.822,322 3.88,323 0.324,324 9.5,325 2.758,326 3.681,327 2.915,328 5.482,329 3.303,330 2.298,331 3.131,333 6.856,334 2.306,335 3.615,336 2.704,337 5.241,338 3.2,339 2.28,340 2.843,342 6.537,343 2.086,344 3.327,345 2.121,346 4.95,347 2.843,348 1.922,349 2.638,351 5.72,352 1.661,353 3.08,354 1.797,355 4.659,356 2.601,357 1.616,358 2.328,360 4.647,361 1.568,362 2.854,363 1.509,364 4.033,365 2.393,366 1.397,367 1.995,369 3.173,370 1.388,371 2.577,372 1.222,373 3.682,374 2.085,375 1.092,376 1.608,378 2.872,379 1.08,380 2.196,381 0.973,382 3.506,383 1.722,384 0.756,385 1.061,386 1.974,387 0.714,388 1.375,389 0.64,390 2.924,391 0.967,396 1.215,397 0.336,398 2.746,399 0.907,400 -0.026,401 -0.031,402 -0.07,403 -0.023,404 0.812,405 0.101,406 2.397,407 0.33,408 -0.578,409 -0.73,411 -1.538,412 -0.385,413 0.696,414 -0.346,415 2.276,416 0.231,417 -0.745,418 -1.069,420 -1.887,421 -0.75,422 0.579,423 -0.8,424 2,425 0.079,426 -0.923,427 -1.363,429 -2.448,430 -0.901,431 0.458,432 -0.906,433 2,434 0.007,435 -1,436 -1.427,438 -2.743,439 -1.001,440 10.467,441 0.523,442 0.538,443 0.027,444 28.75,445 1.438,446 16,447 0.8,448 12.75,449 0.638,450 14.775,451 0.739,452 18.933,453 0.611,454 17.248,455 0.862,456 5.437,457 0.272,458 4.284,459 0.214,460 0.159,462 0.382,466 0.719,467 0.926,468 0.454,469 0.612,470 0.546,471 0.657,472 0.526,473 1.12,474 0.532,475 0.795,476 0.515,477 0.856,478 1.163,479 1.089,480 0.87,481 0.936,482 1.09,483 0.965,484 0.951,485 1.071,486 0.654,487 0.923,488 0.805,489 1.015,490 0.975,491 0.965,492 0.626,493 0.87,494 1.08,495 0.948,496 1.454,497 0.963,498 1.305,499 1.187,500 1.684,501 1.174,502 0.987,503 0.912,504 1.231,505 1.094,506 1.306,507 0.995,508 1.064,509 0.858,510 2.379,511 1.511,512 0.914,513 1.345,514 4,516 2.222,517 1.826,518 1.456,519 0.73,520 0.281,521 0.175,522 0.037,523 0.016,524 3458,525 10443,526 2.195,527 35.5,529 7,532 2,533 2,536 1.626,537 2.069,538 2.781,539 0.311,541 1,543 1,545 49.526,546 1.598,547 3.557,548 4.191,549 4.825,550 4.89,551 4.89,552 2.246,553 4.022,554 4.298,555 2.849,556 541.358,557 7.383,558 5219.63,559 1,560 1,561 1,562 1,563 153.58,564 1.361,565 4.262,566 0.174,568 0.065,569 0.049,570 0.044,571 0.026,572 0.016,573 0.015,574 0.009,575 0.016,576 0.414,577 0.67,578 1,579 0.548,580 84.831,581 -0.09,582 0.083,583 -0.004,584 0.071,585 -0.067,586 0.075,587 0.128,588 -0.154,589 0.009,590 -0.053,591 0.046,592 -0.063,593 -0.196,594 -0.086,595 -0.089,596 -0.075,597 -0.152,598 -0.097,599 -0.051,600 -0.038,601 -0.025,602 -0.083,603 -0.009,604 -0.107,605 0.093,606 0.021,607 0.066,608 0.034,609 0.084,610 0.023,611 -0.202,612 -0.058,613 -0.121,614 -0.088,615 -0.165,616 -0.105,617 0.232,618 0.001,619 0.173,620 0.095,621 0.068,622 0.14,623 -0.137,624 0.005,625 -0.17,626 -0.042,627 -0.121,628 -0.063,629 1.642,630 5.098,631 0.9,632 11.04,633 1.006,634 1.101,635 3.207,636 10.283,637 0.762,638 3.178,639 3.555,640 3.892,641 4.263,642 4.575,643 4.745,644 4.92,645 5.063,646 5.136,647 5.136,648 4.163,649 0.723,650 327.19,651 3.178,652 4.745,653 5.631,654 6.55,655 7.46,656 8.385,657 9.305,658 10.232,659 11.156,660 12.085,661 6.5,668 1,669 1,674 2,675 7,677 1,680 5,682 16,698 1,699 31,700 17,701 2,702 23,703 1,704 34,705 16,706 14,707 5,708 7,710 4,711 10,716 1,719 1,721 15,722 1,724 1,728 1,731 1,732 1,733 1,736 11,737 2,738 2,739 4,740 1,743 2,747 0.25,748 1,756 1,759 1,760 2,761 1,762 1,763 1,764 1,766 1,777 1,780 1,785 20,789 1,790 1,800 1,801 3.2,804 1,808 9.667,809 5.643,810 4.222,811 1.834,812 3.453,813 1.464,814 1.099,815 2.638,816 10.894,817 3.497,818 4.186,819 4.847,820 5.551,821 6.169,822 6.592,823 7.091,824 7.551,825 7.852,826 8.167,827 0.8,828 37,829 7.384,831 3.269,832 7.679,833 14.209,835 12.271,837 2.179,838 43.583,839 0.001,842 105.94,843 93.23,844 80.75,846 25.145,849 139.184,850 131.085,851 34.796,853 20.545,854 66.334,855 29.85,856 31.541,857 4.901,858 105.94,859 45.954,860 105.94,861 128.026,862 25.145,864 45.954,865 105.94,866 25.145,869 37.331,870 90.695,872 45.954,873 105.94,874 59.941,875 139.184,878 105.94,879 26.896,880 66.334,881 80.75,882 25.145,883 105.94,884 59.941,885 139.184,887 0.592,888 0.35,889 0.208,890 0.128,891 20,892 8,895 3,896 1.333,897 3.158,898 169.736,899 0.333,900 18,901 84.439,904 12.035,905 4.385,906 1.885,907 2.156,908 43.156,909 13.989,911 3.447,914 5.017,916 34.796,917 305.065,918 32,922 12.098,925 0.025,926 31.178,927 34.124,928 0.322,929 0.718,930 0.846,931 0.974,932 0.987,933 0.987,934 4.745,935 1.092,936 5.638,937 3.173,938 4.234,939 4.871,940 2.076,941 6.512,942 4.168,943 5.989,944 0.756,945 7.228,946 2.872,947 3.892,948 4.796,949 1.593,950 7.496,951 3.772,952 7.326,954 8.917,955 1.974,956 5.878,957 7.178,958 3.1,959 10.664,960 5.771,961 8.699,962 -0.026,963 10.666,965 6.347,966 7.935,967 3.168,968 12.507,969 6.209,970 10.105,971 -0.578,972 12.454,973 -0.07,974 7.826,975 9.804,976 4.312,977 15.196,978 7.689,979 11.535,980 -0.745,981 14.27,982 -1.538,983 8.682,984 10.966,985 4.654,986 17.399,987 8.524,988 12.985,989 -0.923,990 16.108,991 -1.887,992 9.964,993 12.626,994 5.601,995 19.927,996 9.799,997 3.305,998 -1,999 17.962,1000 -2.448,1001 11.001,1002 13.984,1003 6.091,1004 22.277,1005 10.818,1006 2.822,1007 11.72,1008 19.829,1009 -2.743,1010 12.211,1011 15.559,1012 6.927,1013 24.752,1014 12.016,1015 2.298,1016 9.5,1017 21.707,1018 4.64,1019 13.329,1020 17.009,1021 7.5,1022 27.162,1023 13.117,1024 2.28,1025 6.856,1026 23.594,1027 3.88,1028 14.516,1029 18.551,1030 8.273,1031 29.622,1032 14.29,1033 1.922,1034 6.537,1035 25.488,1036 3.131,1037 15.671,1038 20.043,1039 8.894,1040 32.057,1041 15.427,1042 1.616,1043 5.72,1044 27.387,1045 2.843,1046 16.854,1047 21.574,1048 9.631,1049 34.513,1050 16.594,1051 1.397,1052 4.647,1053 29.291,1054 2.638,1055 18.026,1056 23.085,1057 10.279,1058 36.96,1059 17.749,1060 3273,1061 5768,1062 15.72,1063 23.625,1064 35.481,1065 36.517,1066 36.35,1067 35.189,1068 34.978,1069 48.248,1070 4.622,1071 105.998,1072 33.614,1073 5.58,1074 5.676,1075 6.608,1076 5.335,1077 5.305,1078 7.64,1079 3.497,1080 19.268,1081 5.246,1082 7.44,1083 1.543,1084 1.588,1085 1.58,1086 1.53,1087 1.521,1088 2.098,1089 0.201,1090 4.609,1091 1.461,1092 4.171,1093 4.199,1094 6.88,1095 4.102,1096 7.429,1097 4.105,1098 3.859,1099 3.887,1100 4.117,1101 3.804,1102 4.972,1103 3.796,1104 3.517,1105 3.549,1106 3.78,1107 3.413,1108 4.701,1109 3.399,1110 3.327,1111 3.37,1112 3.42,1113 3.154,1114 4.267,1115 3.167,1116 2.97,1117 3.038,1118 3.144,1119 2.843,1120 3.949,1121 2.831,1122 2.822,1123 2.881,1124 2.834,1125 2.732,1126 3.776,1127 2.708,1128 2.796,1129 2.852,1130 2.681,1131 2.691,1132 3.58,1133 2.679,1134 2.469,1135 2.539,1136 2.624,1137 2.272,1138 3.409,1139 2.255,1140 0.205,1141 0.16,1142 0.301,1143 0.186,1144 0.144,1145 4.708,1146 0.202,1147 3.676,1148 0.086,1149 6.927,1150 0.51,1151 4.287,1152 0.141,1153 3.305,1154 4.64,1155 1.987,1156 11.72,1157 3.246,1158 1.935,1159 1.919,1160 2.009,1161 2.02,1162 1.204,1163 2.02,1164 1.913,1165 1.887,1166 1.988,1167 1.975,1168 1.119,1169 1.988,1170 1.596,1171 1.558,1172 1.733,1173 1.787,1174 0.91,1175 1.77,1176 1.239,1177 1.192,1178 1.384,1179 1.466,1180 0.461,1181 1.451,1182 0.991,1183 0.953,1184 1.176,1185 1.17,1186 0.243,1187 1.184,1188 0.849,1189 0.796,1190 1.089,1191 1.014,1192 0.182,1193 1.048,1194 0.809,1195 0.752,1196 1.052,1197 0.975,1198 0.163,1199 1.017,1200 0.46,1201 0.404,1202 0.731,1203 0.669,1205 0.709,1206 3.85,1208 5.209,1209 2.398,1210 6.76,1211 4.949,1212 8.402,1213 7.222,1214 10.094,1215 3.497,1222 0.389,1223 2.964,1231 22.417,1232 49.526,1233 110.277,1234 129.929,1235 149.58,1236 151.58,1237 151.58,1238 24.15,1239 7.441,1240 44.89,1241 44.89,1242 24,1243 12.588,1244 4.17,1245 3.322,1246 25.901,1247 52,1248 47,1249 0.268,1250 140.754,1251 232.17,1252 335.199,1253 15852,1254 3.2,1255 13.69,1256 0.684,1257 0.606,1258 14.69,1259 12.121,1260 9.72,1261 0.423,1262 0.313,1263 6.417,1264 8.954,1265 6.237,1266 5.11,1267 10.298,1268 7.209,1269 9.191,1270 0.27,1271 0.172,1272 10.007,1273 5.855,1274 7.883,1275 0.164,1276 0.087,1277 8.407,1278 4.169,1279 7.159,1280 0.102,1281 0.045,1282 7.598,1283 3.16,1284 6.396,1285 0.067,1286 0.025,1287 6.977,1288 2.438,1289 0.391,1290 68.088,1291 0.252,1292 19.022,1293 0.836,1294 114,1295 299.056,1296 186.193,1297 334.229,1298 455.97,1299 312,1300 139,1301 317.877,1302 173.421,1303 337.543,1304 499.01,1305 320,1306 5} {0 CHEMBL393545,1 1.597,2 6.238,3 2.835,4 8.036,5 76.283,6 9.176,7 0.76,8 3.599,9 3.689,10 3.354,11 3.236,12 4.811,13 3.257,14 4.104,15 4.202,16 3.81,17 3.69,18 5.357,19 3.702,20 4.317,21 4.457,22 3.859,23 3.773,24 5.54,25 3.771,26 4.324,27 4.457,28 3.894,29 3.771,30 5.698,31 3.779,32 4.307,33 4.455,34 3.75,35 3.655,36 5.647,37 3.651,38 4.163,39 4.341,40 3.347,41 3.346,42 5.528,43 3.316,44 3.813,45 4.033,46 2.624,47 2.874,48 5.069,49 2.772,50 3.165,51 3.462,52 1.299,53 1.971,54 4.192,55 1.735,56 0.072,57 0.449,58 3.494,59 2.173,60 5.693,61 2.064,62 0.178,63 0.744,64 6.108,65 3.791,66 12.796,67 3.884,68 0.289,69 0.913,70 10.554,71 5.264,72 28.456,73 5.603,74 0.322,75 0.918,76 10.134,77 5.052,78 43.38,79 5.265,80 0.275,81 0.886,82 10.737,83 5.303,84 27.751,85 5.587,86 0.355,87 0.75,88 11.356,89 4.742,90 40.691,91 4.641,92 0.278,93 0.504,94 9.85,95 3.829,96 38.042,97 4.059,98 0.155,99 0.253,100 6.87,101 2.393,102 23.336,103 3.079,104 5,105 39,106 0.29,107 0.601,108 0.761,109 0.867,110 0.891,111 0.891,112 3.108,113 0.798,114 -2.54,115 -2.57,116 -2.5,119 53.3,133 6,134 3,142 1,143 4,147 2,159 7,162 4,164 2,166 4,168 6,171 1,172 3,174 2,176 5,178 6,181 2,182 3,187 3,190 7,194 6,197 1,198 1,199 3,202 4,206 7,209 1,211 2,213 4,217 3,222 1,224 2,229 1,255 416,256 14.569,257 14.569,258 14.569,259 14.569,260 14.569,261 12.287,262 5.553,263 8.252,264 14.717,265 12.371,266 12.371,267 12.371,268 12.371,269 12.371,270 8.692,271 4.851,272 3.906,273 12.612,274 3.309,275 1.597,276 0.717,277 0.133,280 3.822,283 1,284 1,285 302,286 2.236,288 65.571,289 53.36,291 154.047,294 154.737,295 0.844,296 22.449,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 45.5,307 131,308 4.955,309 3.854,310 7.32,311 4.488,312 3.509,313 5.085,314 1.2,315 13.192,316 3.438,317 4.407,318 3.299,319 6.603,320 3.943,321 2.963,322 4.275,323 0.8,324 10.473,325 2.902,326 4.151,327 3.242,328 6.328,329 3.696,330 2.724,331 3.728,333 9.46,334 2.639,335 3.672,336 2.788,337 5.756,338 3.208,339 2.211,340 3.188,342 7.46,343 2.2,344 3.245,345 2.166,346 4.999,347 2.757,348 1.776,349 2.532,351 5.451,352 1.763,353 3.213,354 2.062,355 4.996,356 2.745,357 1.729,358 2.378,360 5.025,361 1.711,362 2.946,363 1.549,364 4.526,365 2.442,366 1.458,367 2.123,369 4.154,370 1.429,371 2.831,372 1.362,373 3.888,374 2.336,375 1.341,376 1.969,378 2.977,379 1.332,380 2.508,381 1.1,382 3.629,383 1.985,384 0.992,385 1.485,386 2.371,387 0.981,388 2.216,389 0.832,390 3.571,391 1.692,392 0.725,393 1.072,394 2.067,395 0.699,396 1.952,397 0.725,398 3.332,399 1.438,400 0.47,401 0.687,402 1.267,403 0.454,404 1.145,405 0.505,406 2.805,407 0.636,408 -0.379,409 -0.552,411 -1.068,412 -0.379,413 1,414 0.147,415 2.563,416 0.517,417 -0.553,418 -0.788,420 -1.305,421 -0.574,422 0.826,423 -0.627,424 2.366,425 0.317,426 -0.682,427 -1.039,429 -1.786,430 -0.69,431 0.569,432 -0.79,433 2.203,434 0.074,435 -0.927,436 -1.379,438 -2.463,439 -0.926,440 9.867,441 0.47,442 0.59,443 0.028,444 31.75,445 1.512,446 17,447 0.81,448 14.75,449 0.702,450 12.693,451 0.604,452 20.133,453 0.671,454 21.786,455 1.037,456 6.329,457 0.301,458 3.925,459 0.187,460 0.068,462 0.497,466 0.707,467 1.07,468 0.595,469 0.764,470 0.506,471 0.663,472 0.541,473 1.136,474 0.659,475 0.913,476 0.49,477 0.836,478 0.829,479 0.898,480 0.826,481 0.897,482 0.882,483 0.872,484 0.763,485 1.079,486 0.805,487 0.953,488 0.646,489 0.893,490 1.002,491 1.118,492 1.005,493 1.185,494 1.017,495 1.119,496 1.507,497 1.004,498 1.41,499 1.15,500 1.527,501 1.231,502 1.626,503 0.867,504 1.608,505 1.132,506 1.749,507 1.323,508 1.294,509 0.766,510 1.462,511 1.085,512 1.509,513 1.283,514 3,516 2.444,517 2.167,518 1.759,519 1.018,520 0.369,521 0.075,522 0.02,524 3921,525 11313,526 2.271,527 30,529 6,530 1,532 2,536 1.644,537 2.136,538 2.659,539 0.331,541 1,543 1,545 47.923,546 1.597,547 3.31,548 4.19,549 4.774,550 4.907,551 4.907,552 2.045,553 4.011,554 4.369,555 2.721,556 571.486,557 7.546,558 5689.56,559 1,560 1,561 1,562 1,563 147.207,564 1.357,565 4.333,566 0.12,568 0.063,569 0.054,570 0.043,571 0.03,572 0.018,573 0.008,574 0.02,576 0.356,577 0.67,578 0.88,579 0.532,580 89.417,581 -0.104,582 -0.041,583 0.022,584 0.054,585 -0.062,586 0.071,587 0.116,588 -0.128,589 0.009,590 -0.073,591 0.037,592 -0.068,593 0.033,594 0.083,595 0.043,596 0.031,597 -0.061,598 0.033,599 0.12,600 -0.079,601 0.045,602 -0.047,603 0.18,604 -0.019,605 -0.001,606 -0.156,607 -0.062,608 -0.236,609 0.005,610 -0.182,611 -0.223,612 -0.042,613 -0.301,614 -0.14,615 -0.139,616 -0.21,617 -0.321,618 0.021,619 -0.31,620 -0.011,621 -0.271,622 -0.123,623 -0.102,624 0.052,625 0.168,626 0.201,627 -0.161,628 0.23,629 2.011,630 5.238,631 0.905,632 11.134,633 1.02,634 1.105,635 1.311,636 1.718,637 0.74,638 3.258,639 3.689,640 4.127,641 4.575,642 4.883,643 5.136,644 5.389,645 5.583,646 5.628,647 5.673,648 3.969,649 0.736,650 275.28,651 3.258,652 4.86,653 5.796,654 6.756,655 7.714,656 8.681,657 9.646,658 10.616,659 11.583,660 12.553,661 10,668 1,669 2,674 5,675 7,677 1,680 2,682 19,699 30,700 21,701 1,702 25,704 34,705 16,706 14,707 2,708 4,709 2,710 5,711 17,721 16,724 2,728 2,731 2,732 1,733 1,736 9,737 3,738 2,739 5,743 3,746 1,747 0.2,748 2,754 1,756 2,759 3,760 2,762 4,765 3,777 1,785 21,790 1,801 6.7,804 2,808 9.833,809 5.617,810 4.361,811 1.806,812 4.32,813 1.54,814 1.175,815 1.873,816 12.315,817 3.624,818 4.394,819 5.203,820 6.02,821 6.714,822 7.336,823 7.957,824 8.516,825 8.905,826 9.309,827 1,828 40,829 7.787,831 3.65,832 7.881,833 14.649,835 13.084,837 2.381,838 50,842 82.398,843 92.835,844 36.083,846 50.29,849 92.835,850 132.688,851 36.083,853 18.011,854 65.905,855 59.699,856 26.404,857 20.96,858 70.627,860 82.398,861 128.918,862 50.29,865 82.398,866 50.29,869 36.083,870 92.835,873 82.398,874 86.373,875 92.835,878 82.398,879 26.93,880 67.191,881 34.796,882 50.29,883 82.398,884 86.373,885 92.835,887 0.602,888 0.381,889 0.24,890 0.136,891 25,892 10,895 4,896 1.421,897 3.226,898 196.653,899 0.421,900 19,901 92.239,904 11.116,905 3.539,906 1.213,907 4.498,908 68.301,909 13.416,911 3.36,914 0.869,916 34.796,917 261.605,918 36.5,922 24.364,925 -0.677,926 30.611,927 33.159,928 0.326,929 0.674,930 0.854,931 0.973,932 1,933 1,934 4.896,935 1.341,936 5.826,937 4.154,938 4.369,939 5.081,940 1.641,941 6.788,942 4.331,943 6.176,944 0.992,945 7.469,946 2.977,947 4.111,948 5.156,950 7.941,951 4.059,952 7.549,953 0.725,954 9.215,955 2.371,956 6.094,957 7.538,958 1.786,959 11.168,960 6.01,961 8.967,962 0.47,963 11.022,964 2.067,965 6.698,966 8.49,968 13.175,969 6.595,970 10.421,971 -0.379,972 12.867,973 1.267,974 8.167,975 10.351,976 2.014,977 15.93,978 8.039,979 11.902,980 -0.553,981 14.74,982 -1.068,983 9.142,984 11.684,986 18.272,987 8.993,988 13.404,989 -0.682,990 16.632,991 -1.305,992 10.439,993 13.367,994 2.296,995 20.886,996 10.268,997 3.509,998 -0.927,999 18.539,1000 -1.786,1001 11.567,1002 14.861,1004 23.363,1005 11.376,1006 2.963,1007 13.192,1008 20.458,1009 -2.463,1010 12.812,1011 16.488,1012 2.61,1013 25.939,1014 12.6,1015 2.724,1016 10.473,1017 22.386,1018 5.085,1019 14.004,1020 18.05,1022 28.47,1023 13.772,1024 2.211,1025 9.46,1026 24.322,1027 4.275,1028 15.239,1029 19.663,1030 2.943,1031 31.039,1032 14.986,1033 1.776,1034 7.46,1035 26.265,1036 3.728,1037 16.459,1038 21.255,1040 33.594,1041 16.186,1042 1.729,1043 5.451,1044 28.214,1045 3.188,1046 17.695,1047 22.867,1048 3.287,1049 36.164,1050 17.402,1051 1.458,1052 5.025,1053 30.167,1054 2.532,1055 18.928,1056 24.473,1058 38.731,1059 18.615,1060 3611,1061 6239,1062 17.224,1063 22.21,1064 40.074,1065 41.592,1066 41.253,1067 39.727,1068 39.799,1069 57.041,1070 4,1071 127.798,1072 39.097,1073 5.797,1074 5.854,1075 7.001,1076 5.553,1077 5.509,1078 8.085,1079 2.4,1080 21.192,1081 5.438,1082 7.443,1083 1.603,1084 1.664,1085 1.65,1086 1.589,1087 1.592,1088 2.282,1089 0.16,1090 5.112,1091 1.564,1092 4.303,1093 4.333,1094 4.285,1095 4.208,1096 7.45,1097 4.223,1098 3.911,1099 3.948,1100 3.866,1101 3.806,1102 7.408,1103 3.816,1104 3.649,1105 3.673,1106 3.613,1107 3.483,1108 5.075,1109 3.508,1110 3.354,1111 3.407,1112 3.271,1113 3.216,1114 4.737,1115 3.227,1116 2.972,1117 3.023,1118 2.905,1119 2.82,1120 4.239,1121 2.823,1122 2.869,1123 2.862,1124 2.82,1125 2.572,1126 4.064,1127 2.639,1128 2.672,1129 2.728,1130 2.573,1131 2.49,1132 3.718,1133 2.48,1134 2.568,1135 2.622,1136 2.459,1137 2.41,1138 3.454,1139 2.446,1140 0.198,1141 0.154,1142 0.293,1143 0.18,1144 0.14,1145 4.955,1146 0.203,1147 3.854,1148 0.048,1149 7.32,1150 0.528,1151 4.488,1152 0.138,1153 3.509,1154 5.085,1155 1.2,1156 13.192,1157 3.438,1158 2.002,1159 1.987,1160 2.052,1161 2.091,1162 1.27,1163 2.069,1164 1.885,1165 1.85,1166 1.952,1167 2.013,1168 1.086,1169 2.009,1170 1.524,1171 1.484,1172 1.681,1173 1.689,1174 0.732,1175 1.676,1176 1.318,1177 1.291,1178 1.401,1179 1.599,1180 0.426,1181 1.553,1182 1.139,1183 1.096,1184 1.299,1185 1.359,1186 0.35,1187 1.347,1188 1.014,1189 0.964,1190 1.183,1191 1.215,1192 0.166,1193 1.201,1194 0.859,1195 0.84,1196 1,1197 1.041,1198 0.083,1199 1.023,1200 0.664,1201 0.591,1202 0.913,1203 0.875,1205 0.903,1206 3.932,1208 5.333,1209 3.434,1210 6.936,1211 5.861,1212 8.643,1213 8.032,1214 10.411,1223 2.398,1231 22.074,1232 47.923,1233 99.291,1234 125.697,1235 143.207,1236 147.207,1237 147.207,1238 29.06,1239 7.995,1240 70.13,1241 70.13,1242 27,1243 13.03,1244 4.459,1245 3.644,1246 24.95,1247 52,1248 45,1249 0.26,1250 129.31,1251 206.78,1252 307.276,1253 29697,1255 14.137,1256 0.673,1257 0.515,1258 14.137,1259 10.805,1260 10.254,1261 0.41,1262 0.266,1263 6.561,1264 9.909,1265 6.475,1266 5.288,1267 10.254,1268 6.646,1269 9.789,1270 0.251,1271 0.133,1272 9.789,1273 5.191,1274 9.147,1275 0.15,1276 0.067,1277 9.147,1278 4.108,1279 8.921,1280 0.093,1281 0.034,1282 8.921,1283 3.281,1284 7.499,1285 0.057,1286 0.017,1287 7.499,1288 2.285,1289 0.372,1290 64.033,1291 0.241,1292 19.543,1293 0.842,1294 128,1295 367.782,1296 139.284,1297 358.789,1298 506.19,1299 336,1300 164,1301 391.653,1302 176.257,1303 395.684,1304 599.12,1305 376,1306 5.886} {0 CHEMBL402443,1 1.635,2 6.353,3 1.184,4 1.402,5 62.864,6 8.38,7 0.842,8 3.45,9 3.56,10 3.129,11 2.974,12 4.669,13 2.999,14 3.908,15 4.064,16 3.439,17 3.319,18 5.074,19 3.333,20 3.969,21 4.126,22 3.451,23 3.376,24 5.082,25 3.372,26 3.995,27 4.15,28 3.415,29 3.363,30 5.143,31 3.34,32 4.062,33 4.27,34 3.232,35 3.294,36 5.127,37 3.224,38 3.974,39 4.235,40 2.929,41 3.026,42 4.989,43 2.946,44 3.6,45 3.883,46 2.388,47 2.597,48 4.6,49 2.477,50 3.046,51 3.346,52 1.5,53 2.07,54 3.829,55 1.839,56 0.047,57 0.439,58 4.296,59 2.04,60 4.73,61 2.367,62 0.215,63 0.66,64 8.59,65 3.197,66 15.797,67 3.66,68 0.134,69 0.692,70 8.817,71 3.637,72 10.826,73 4.401,74 0.228,75 0.69,76 9.047,77 3.799,78 13.988,79 4.621,80 0.225,81 0.703,82 11.297,83 4.312,84 17.789,85 5.666,86 0.247,87 0.618,88 11.914,89 3.487,90 20.545,91 4.785,92 0.247,93 0.39,94 9.06,95 2.567,96 20.453,97 3.595,98 0.059,99 0.215,100 5.056,101 1.807,102 7.189,103 2.726,104 3,105 26,106 0.314,107 0.706,108 0.836,109 0.865,110 0.879,111 0.879,112 2.911,113 0.815,114 -2.47,115 -2.49,116 -2.44,119 44.4,123 1,133 2,134 2,135 1,136 2,137 1,139 1,142 1,150 1,159 1,161 1,162 7,164 1,166 2,168 2,172 3,178 2,181 1,182 1,185 2,187 2,193 2,194 4,202 1,209 1,216 2,217 1,255 286,256 11.991,257 11.991,258 11.991,259 11.991,260 11.991,261 10.154,262 4.313,263 7.181,264 12.421,265 9.336,266 9.336,267 9.336,268 9.336,269 9.336,270 6.596,271 4.651,272 3.3,273 9.908,274 3.12,275 1.075,276 0.398,277 0.25,278 0.176,279 0.176,280 3.591,284 1,285 234,286 1.871,288 29.343,289 81.628,291 56.722,295 0.962,296 11.707,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 37,307 108,308 4.673,309 3.304,310 6.907,311 4.212,312 3.238,313 4.631,314 0.86,315 11.607,316 3.153,317 3.949,318 2.66,319 5.869,320 3.506,321 2.549,322 3.528,324 8.078,325 2.435,326 3.484,327 2.305,328 5.184,329 3.005,330 2.088,331 2.868,333 6.138,334 1.911,335 3.245,336 1.763,337 4.54,338 2.701,339 1.763,340 2.598,342 4.445,343 1.652,344 2.81,345 1.349,346 3.882,347 2.275,348 1.332,349 1.956,351 3.004,352 1.253,353 2.5,354 1.199,355 3.503,356 1.957,357 1,358 1.5,360 2.471,361 0.954,362 2.5,363 1,364 3.356,365 1.939,366 1,367 1.5,369 2.136,370 0.936,371 2.234,372 1,373 3.247,374 1.756,375 0.86,376 1.138,378 1.954,379 0.765,380 1.56,381 0.576,382 2.711,383 1.2,384 0.319,385 0.388,386 0.521,387 0.279,388 0.83,389 -0.308,390 2.347,391 0.356,392 -0.592,393 -0.785,394 -1.288,395 -0.559,396 0.745,397 -0.593,398 2.202,399 0.297,400 -0.625,401 -0.836,402 -1.407,403 -0.57,404 0.5,405 -1,406 2,407 -0.049,408 -1,409 -1.5,411 -2.347,412 -0.92,413 0.5,414 -1,415 1.69,416 -0.077,417 -1,418 -1.5,420 -2.527,421 -0.947,422 -0.004,423 -1.202,424 1.555,425 -0.492,426 -1.433,427 -1.885,429 -3.984,430 -1.305,431 -0.321,432 -1.51,433 1.04,434 -0.744,435 -1.651,436 -2.16,438 -4.54,439 -1.521,440 7.933,441 0.467,442 0.274,443 0.016,444 26.5,445 1.559,446 14.5,447 0.853,448 12,449 0.706,450 8.682,451 0.511,452 17.267,453 0.64,454 15.737,455 0.926,456 5.448,457 0.32,458 2.95,459 0.174,460 0.063,462 0.315,466 0.937,467 1.394,468 0.669,469 1.075,470 0.799,471 0.863,472 1.316,473 0.836,474 0.851,475 0.693,476 1.151,477 0.689,478 1.061,479 1.182,480 0.858,481 1.034,482 0.94,483 0.93,484 0.894,485 1.054,486 1.008,487 1.145,488 0.892,489 1.116,490 0.847,491 1.164,492 1.088,493 1.236,494 0.806,495 1.227,496 1.176,497 0.96,498 1.207,499 1.007,500 1.174,501 1.077,502 1.121,503 0.569,504 1.195,505 0.755,506 1.334,507 0.945,508 0.363,509 1.152,510 1.138,511 1.403,512 0.773,513 1.423,514 2,516 1.778,517 1.125,518 0.854,519 0.407,520 0.101,521 0.092,522 0.02,524 2222,525 6647,526 2.163,527 37,529 5,530 1,531 3,532 1,536 1.576,537 2.082,538 2.73,539 -0.198,543 1,545 44.143,546 1.635,547 3.68,548 4.357,549 4.505,550 4.579,551 4.579,552 2.162,553 3.735,554 4.061,555 2.781,556 378.255,557 6.896,558 3330.97,560 1,563 128.382,564 1.166,565 4.043,566 0.105,568 0.068,569 0.043,570 0.036,571 0.021,572 0.008,573 0.013,574 0.01,576 0.305,577 0.67,578 1,579 0.721,580 68.363,581 -0.098,582 -0.298,583 0.058,584 -0.137,585 -0.047,586 -0.03,587 -0.182,588 0.226,589 0.004,590 0.237,591 -0.163,592 0.168,593 -0.146,594 -0.164,595 -0.017,596 -0.074,597 -0.08,598 -0.027,599 0.124,600 -0.042,601 -0.157,602 -0.189,603 -0.009,604 -0.223,605 0.058,606 -0.235,607 -0.128,608 -0.257,609 0.091,610 -0.244,611 -0.163,612 -0.029,613 -0.129,614 -0.078,615 -0.101,616 -0.085,617 0.013,618 0.298,619 -0.029,620 0.215,621 -0.09,622 0.109,623 0.158,624 -0.389,625 0.006,626 -0.341,627 0.076,628 -0.231,629 0.884,630 1.845,631 0.882,632 8.872,633 1.014,634 1.128,635 1.235,636 1.526,637 0.695,638 2.996,639 3.296,640 3.638,641 3.951,642 4.143,643 4.143,644 4.205,645 4.234,646 4.127,647 4.007,648 3.981,649 0.681,650 226.26,651 2.996,652 4.511,653 5.38,654 6.267,655 7.159,656 8.057,657 8.955,658 9.858,659 10.759,660 11.663,661 14.8,669 1,671 3,674 2,675 6,676 3,677 1,680 3,682 16,697 1,699 27,700 16,702 19,704 29,705 12,706 11,710 3,711 4,721 11,722 1,733 1,736 10,737 4,738 1,739 5,743 4,747 0.667,748 1,754 1,755 1,756 1,759 1,760 2,762 1,777 2,781 1,785 17,791 1,801 3.7,806 1,808 8.167,809 5.267,810 3.861,811 1.443,812 3.171,813 1.492,814 1.021,815 2.406,816 9.62,817 3.332,818 3.984,819 4.688,820 5.367,821 5.907,822 6.225,823 6.664,824 7.076,825 7.25,826 7.502,827 1,828 26,829 6.196,831 2.574,832 7.696,833 11.722,835 9.3,837 2.196,838 37.333,839 0.002,842 105.94,843 81.07,844 67.142,846 11,849 81.07,850 116.94,851 67.142,852 10.883,854 28,855 87.385,856 68.258,857 11.771,858 58.856,860 105.94,861 148.213,862 11,865 105.94,866 11,869 47.971,870 49.885,871 50.357,873 105.94,874 78.142,875 81.07,878 105.94,879 15.474,880 65.596,881 16.786,882 61.356,883 105.94,884 78.142,885 81.07,887 0.565,888 0.353,889 0.211,890 0.115,891 14,892 5,893 0.069,894 2,895 1,896 1.133,897 2.953,898 124.292,899 0.133,900 15,901 69.487,904 10.088,905 4.055,906 1.619,907 1.728,908 61.356,909 10.515,910 12.399,911 3.11,914 2.592,916 16.786,917 265.152,918 27,926 27.385,927 30.448,928 0.344,929 0.774,930 0.916,931 0.947,932 0.963,933 0.963,934 4.522,935 0.86,936 5.342,937 2.136,938 3.97,939 4.668,940 0.908,941 6.184,942 3.867,943 5.737,944 0.319,945 6.909,946 1.954,947 3.434,948 4.407,950 7.186,951 3.334,952 7.049,953 -0.592,954 8.588,955 0.521,956 5.565,957 6.979,958 0.739,959 10.353,960 5.395,961 8.412,962 -0.625,963 10.338,964 -1.288,965 5.969,966 7.677,968 12.264,969 5.808,970 9.814,971 -1,972 12.135,973 -1.407,974 7.502,975 9.629,976 0.593,977 14.938,978 7.289,979 11.246,980 -1,981 13.964,982 -2.347,983 8.336,984 10.779,986 17.186,987 8.125,988 12.701,989 -1.433,990 15.816,991 -2.527,992 9.637,993 12.478,994 0.469,995 19.709,996 9.386,997 3.238,998 -1.651,999 17.685,1000 -3.984,1001 10.664,1002 13.84,1004 22.083,1005 10.404,1006 2.549,1007 11.607,1008 19.567,1009 -4.54,1010 11.878,1011 15.436,1012 0.366,1013 24.557,1014 11.587,1015 2.088,1016 8.078,1017 21.458,1018 4.631,1019 12.988,1020 16.893,1022 26.979,1023 12.68,1024 1.763,1025 6.138,1026 23.357,1027 3.528,1028 14.172,1029 18.448,1030 0.283,1031 29.437,1032 13.836,1033 1.332,1034 4.445,1035 25.262,1036 2.868,1037 15.318,1038 19.947,1040 31.877,1041 14.96,1042 1,1043 3.004,1044 27.171,1045 2.598,1046 16.492,1047 21.487,1048 0.217,1049 34.331,1050 16.108,1051 1,1052 2.471,1053 29.085,1054 1.956,1055 17.653,1056 23.005,1058 36.778,1059 17.245,1060 2185,1061 3864,1062 13.118,1063 18.762,1064 28.332,1065 28.682,1066 29.185,1067 28.238,1068 28.3,1069 40.214,1070 1.72,1071 80.706,1072 26.675,1073 5.32,1074 5.304,1075 6.709,1076 5.283,1077 5.238,1078 7.631,1079 1.72,1080 18.796,1081 5.098,1082 4.8,1083 1.491,1084 1.51,1085 1.536,1086 1.486,1087 1.489,1088 2.117,1089 0.091,1090 4.248,1091 1.404,1092 4.125,1093 4.161,1094 4.098,1095 4.01,1096 5.12,1097 4.028,1098 3.758,1099 3.814,1100 3.71,1101 3.593,1102 4.956,1103 3.614,1104 3.41,1105 3.464,1106 3.312,1107 3.22,1108 4.572,1109 3.234,1110 3.196,1111 3.272,1112 3.032,1113 2.92,1114 4.305,1115 2.93,1116 2.823,1117 2.898,1118 2.711,1119 2.62,1120 3.911,1121 2.633,1122 2.765,1123 2.848,1124 2.624,1125 2.56,1126 3.745,1127 2.57,1128 2.52,1129 2.592,1130 2.417,1131 2.339,1132 3.536,1133 2.345,1134 2.363,1135 2.443,1136 2.218,1137 2.175,1138 3.154,1139 2.182,1140 0.246,1141 0.174,1142 0.364,1143 0.222,1144 0.17,1145 4.673,1146 0.244,1147 3.304,1148 0.045,1149 6.907,1150 0.611,1151 4.212,1152 0.166,1153 3.238,1154 4.631,1155 0.86,1156 11.607,1157 3.153,1158 1.896,1159 1.875,1160 1.954,1161 2.02,1162 1.083,1163 2.001,1164 1.731,1165 1.682,1166 1.832,1167 1.926,1168 0.816,1169 1.902,1170 1.383,1171 1.317,1172 1.576,1173 1.64,1174 0.567,1175 1.621,1176 1.166,1177 1.086,1178 1.516,1179 1.471,1180 0.513,1181 1.494,1182 1.004,1183 0.949,1184 1.182,1185 1.16,1186 0.281,1187 1.173,1188 0.761,1189 0.682,1190 1.05,1191 0.995,1192 0.019,1193 1.021,1194 0.468,1195 0.401,1196 0.712,1197 0.731,1199 0.726,1200 0.371,1201 0.289,1202 0.652,1203 0.644,1205 0.648,1206 3.664,1208 4.963,1209 2.398,1210 6.488,1211 4.727,1212 8.115,1213 6.862,1214 9.795,1216 1.644,1224 5.345,1231 18.381,1232 44.143,1233 99.362,1234 117.627,1235 121.627,1236 123.627,1237 123.627,1238 15.599,1239 6.449,1240 63.69,1241 63.69,1242 17,1243 12.183,1244 4.087,1245 3.17,1246 23.525,1247 40,1248 38,1249 0.304,1250 114.38,1251 180.69,1252 270.847,1253 4471,1255 11.665,1256 0.686,1257 0.542,1258 11.665,1259 9.214,1260 8.398,1261 0.442,1262 0.272,1263 5.055,1264 7.967,1265 4.936,1266 4.119,1267 8.398,1268 5.164,1269 7.076,1270 0.272,1271 0.136,1272 7.076,1273 3.534,1274 6.383,1275 0.173,1276 0.071,1277 6.383,1278 2.613,1279 5.636,1280 0.111,1281 0.036,1282 5.636,1283 1.849,1284 4.541,1285 0.073,1286 0.019,1287 4.541,1288 1.164,1289 0.445,1290 53.367,1291 0.276,1292 16.654,1293 0.938,1294 90,1295 287.004,1296 99.539,1297 276.828,1298 386.21,1299 262,1300 108,1301 289.56,1302 117.984,1303 294.944,1304 430.12,1305 276,1306 6.638} {0 CHEMBL405074,1 1.683,2 8.476,3 0.828,4 0.685,5 78.522,6 7.926,7 0.696,8 3.722,9 3.842,10 3.337,11 3.167,12 4.913,13 3.196,14 4.209,15 4.373,16 3.646,17 3.504,18 5.373,19 3.519,20 4.302,21 4.481,22 3.655,23 3.575,24 5.408,25 3.57,26 4.296,27 4.475,28 3.641,29 3.602,30 5.395,31 3.571,32 4.394,33 4.605,34 3.559,35 3.591,36 5.428,37 3.536,38 4.35,39 4.573,40 3.512,41 3.486,42 5.404,43 3.445,44 4.277,45 4.514,46 3.321,47 3.328,48 5.397,49 3.261,50 4.087,51 4.35,52 2.887,53 3.102,54 5.042,55 2.981,56 0.09,57 0.567,58 6.846,59 2.712,60 9.264,61 3.495,62 0.369,63 0.824,64 13.508,65 4.541,66 27.992,67 5.691,68 0.405,69 0.889,70 15.054,71 4.747,72 25.907,73 6.41,74 0.296,75 0.894,76 14.283,77 5.357,78 20.504,79 7.268,80 0.368,81 0.915,82 17.349,83 5.832,84 28.281,85 8.138,86 0.328,87 0.875,88 16.638,89 5.016,90 26,91 7.271,92 0.499,93 0.749,94 16.26,95 4.514,96 38.218,97 6.657,98 0.321,99 0.589,100 14.178,101 4.092,102 26.855,103 6.151,104 9,105 31,106 0.305,107 0.701,108 0.832,109 0.872,110 0.882,111 0.882,112 3.104,113 0.843,114 -2.14,115 -2.19,116 -2.17,119 38.9,123 1,124 2,133 2,134 2,135 1,136 2,137 1,141 1,142 1,150 1,152 1,153 1,154 1,159 1,161 1,162 7,163 2,164 3,166 2,168 2,171 1,172 3,178 2,181 1,182 1,185 2,187 4,192 2,193 2,194 6,199 1,202 1,204 1,206 1,209 1,210 1,212 1,216 3,217 1,219 2,220 3,222 1,226 1,228 1,229 1,255 596,256 14.56,257 14.56,258 14.56,259 14.56,260 14.56,261 12.698,262 10.395,263 8.938,264 15.174,265 11.357,266 11.357,267 11.357,268 11.357,269 11.357,270 8.567,271 9.958,272 4.21,273 12.239,274 3.487,275 1.299,276 0.577,277 0.354,278 0.299,279 0.299,280 3.787,284 1,285 378,286 2.646,288 40.195,289 109.636,291 77.699,295 1.306,296 18.921,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 46.5,307 178,308 4.676,309 3.315,310 6.91,311 4.217,312 3.244,313 4.633,314 0.86,315 11.624,316 3.156,317 4.052,318 2.761,319 5.906,320 3.586,321 2.645,322 3.677,323 0.86,324 8.261,325 2.491,326 3.543,327 2.482,328 5.206,329 3.116,330 2.196,331 2.912,333 6.279,334 2.016,335 3.457,336 2.19,337 5.029,338 2.977,339 2.061,340 2.836,342 5.913,343 1.881,344 2.965,345 2.108,346 4.367,347 2.498,348 1.607,349 2.178,351 3.921,352 1.431,353 2.694,354 1.513,355 3.848,356 2.447,357 1.491,358 1.772,360 3.155,361 1.41,362 2.652,363 1.427,364 3.629,365 2.159,366 1.206,367 1.665,369 2.742,370 1.147,371 2.5,372 1.21,373 3.472,374 1.949,375 1,376 1.5,378 2.457,379 0.946,380 2.205,381 1,382 3.329,383 1.767,384 0.9,385 1.113,386 1.979,387 0.775,388 1.748,389 0.739,390 2.825,391 1.435,392 0.547,393 0.654,394 1.054,395 0.483,396 1.033,397 0.243,398 2.442,399 0.717,400 -0.183,401 -0.207,402 -0.336,403 -0.163,404 0.952,405 -0.243,406 2.329,407 0.527,408 -0.399,409 -0.506,411 -0.887,412 -0.368,413 0.766,414 -0.272,415 2,416 0.308,417 -0.633,418 -0.847,420 -1.471,421 -0.594,422 0.507,423 -0.618,424 2,425 0.169,426 -0.73,427 -0.878,429 -1.76,430 -0.642,431 0.5,432 -1,433 1.908,434 -0.049,435 -1,436 -1.5,438 -2.675,439 -0.947,440 9.667,441 0.46,442 0.38,443 0.018,444 29.75,445 1.417,446 15,447 0.714,448 14.75,449 0.702,450 13.036,451 0.621,452 22.733,453 0.631,454 20.085,455 0.956,456 6.163,457 0.293,458 4.129,459 0.197,460 0.093,462 0.31,466 1.011,467 1.456,468 0.749,469 1.158,470 1.064,471 0.927,472 1.355,473 0.869,474 0.889,475 0.798,476 0.975,477 0.774,478 1.199,479 1.076,480 0.951,481 0.88,482 1.031,483 0.863,484 0.763,485 1.13,486 0.9,487 1.165,488 0.759,489 1.083,490 0.959,491 1.109,492 0.978,493 1.099,494 0.857,495 1.066,496 0.992,497 1.162,498 1,499 1.133,500 0.989,501 1.073,502 0.91,503 0.844,504 1.13,505 1.023,506 0.933,507 1.104,508 0.98,509 1.029,510 1.129,511 1.087,512 1.047,513 1.14,514 3,515 0.037,516 2,517 1.313,518 1.046,519 0.466,520 0.395,521 0.23,522 0.13,523 0.046,524 4030,525 12217,526 2.102,527 41.7,529 9,530 1,531 2,532 3,536 1.637,537 2,538 3.069,539 1.156,541 1,543 1,545 60.601,546 1.683,547 3.871,548 4.593,549 4.816,550 4.871,551 4.871,552 2.498,553 4.297,554 4.357,555 3.18,556 667.864,557 7.496,558 6956.06,559 1,560 1,563 186.117,564 1.268,565 4.338,566 0.13,567 0.009,568 0.065,569 0.042,570 0.035,571 0.017,572 0.016,573 0.012,574 0.011,575 0.008,576 0.345,577 0.5,578 1,579 1.369,580 93.606,581 -0.138,582 -0.245,583 0.043,584 -0.111,585 -0.178,586 -0.004,587 -0.14,588 0.204,589 0.031,590 0.195,591 0.002,592 0.142,593 -0.113,594 -0.022,595 -0.032,596 0.114,597 -0.102,598 0.073,599 0.088,600 -0.063,601 -0.022,602 -0.126,603 0.048,604 -0.103,605 -0.031,606 -0.138,607 -0.032,608 -0.083,609 0.004,610 -0.07,611 -0.069,612 -0.169,613 -0.041,614 -0.176,615 -0.047,616 -0.113,617 0.16,618 0.119,619 -0.125,620 -0.107,621 0.131,622 -0.167,623 -0.049,624 -0.165,625 -0.101,626 -0.12,627 -0.065,628 -0.127,629 1.437,630 2.251,631 0.714,632 15.864,633 1.016,634 1.139,635 0.913,636 0.834,637 0.66,638 3.178,639 3.466,640 3.761,641 4.078,642 4.29,643 4.369,644 4.477,645 4.564,646 4.511,647 4.477,648 5.028,649 0.644,650 285.34,651 3.178,652 4.691,653 5.541,654 6.422,655 7.3,656 8.196,657 9.088,658 9.991,659 10.889,660 11.795,661 13.9,665 1,669 1,671 3,674 2,675 5,676 3,677 1,680 4,682 16,691 1,697 1,699 36,700 16,702 23,704 38,705 14,706 11,710 3,711 4,721 11,722 3,732 1,733 1,736 15,737 6,738 3,739 7,743 5,747 0.667,748 2,754 1,755 1,756 1,759 1,760 2,762 1,776 1,777 2,781 1,785 21,786 1,789 2,791 2,801 5.6,805 1,806 1,808 10.5,809 6.683,810 4.778,811 1.91,812 3.199,813 1.465,814 0.992,815 3.993,816 10.076,817 3.466,818 4.09,819 4.755,820 5.43,821 5.98,822 6.339,823 6.784,824 7.222,825 7.434,826 7.736,827 0.833,828 31,829 7.673,831 3.158,832 7.762,833 14.457,835 11.304,837 2.262,838 47.5,842 141.253,843 83.536,844 100.039,846 22,849 83.536,850 163.253,851 100.039,852 10.883,853 9.185,854 60.897,855 86.614,856 59.639,857 13.67,858 105.94,860 141.253,861 183.575,862 22,865 141.253,866 11,867 11,869 50.436,870 82.782,871 50.357,873 141.253,874 122.039,875 83.536,878 141.253,879 26.558,880 56.978,881 16.786,882 105.254,883 141.253,884 122.039,885 83.536,887 0.561,888 0.328,889 0.19,890 0.107,891 15,892 6,893 0.132,894 5,895 1,896 1.133,897 3.335,898 162.245,899 0.133,900 15,901 92.239,904 13.798,905 6.077,906 2.817,907 1.601,908 105.254,909 8.769,910 12.445,911 3.113,914 2.552,916 49.683,917 346.828,918 31,926 36.582,927 40.986,928 0.326,929 0.749,930 0.888,931 0.931,932 0.942,933 0.942,934 4.663,935 1,936 5.501,937 2.742,938 4.143,939 4.775,940 1.376,941 6.319,942 4.017,943 5.866,944 0.9,945 7.052,946 2.457,947 3.611,948 4.559,950 7.265,951 3.479,952 7.173,953 0.547,954 8.714,955 1.979,956 5.714,957 7.059,958 1.159,959 10.432,960 5.506,961 8.528,962 -0.183,963 10.446,964 1.054,965 6.089,966 7.774,968 12.304,969 5.893,970 9.922,971 -0.399,972 12.226,973 -0.336,974 7.616,975 9.693,976 0.963,977 14.982,978 7.361,979 11.346,980 -0.633,981 14.04,982 -0.887,983 8.426,984 10.846,986 17.213,987 8.18,988 12.794,989 -0.73,990 15.88,991 -1.471,992 9.723,993 12.529,994 0.787,995 19.737,996 9.435,997 3.244,998 -1,999 17.738,1000 -1.76,1001 10.735,1002 13.888,1004 22.106,1005 10.444,1006 2.645,1007 11.624,1008 19.611,1009 -2.675,1010 11.945,1011 15.476,1012 0.634,1013 24.58,1014 11.622,1015 2.196,1016 8.261,1017 21.495,1018 4.633,1019 13.047,1020 16.929,1022 27,1023 12.71,1024 2.061,1025 6.279,1026 23.389,1027 3.677,1028 14.227,1029 18.479,1030 0.504,1031 29.46,1032 13.864,1033 1.607,1034 5.913,1035 25.289,1036 2.912,1037 15.368,1038 19.975,1040 31.9,1041 14.985,1042 1.491,1043 3.921,1044 27.195,1045 2.836,1046 16.54,1047 21.512,1048 0.395,1049 34.354,1050 16.132,1051 1.206,1052 3.155,1053 29.106,1054 2.178,1055 17.698,1056 23.027,1058 36.802,1059 17.268,1060 4008,1061 7074,1062 15.603,1063 23.745,1064 34.028,1065 34.305,1066 35.133,1067 33.781,1068 33.795,1069 45.882,1070 3.44,1071 94.772,1072 31.473,1073 5.521,1074 5.315,1075 6.819,1076 5.288,1077 5.244,1078 7.633,1079 1.72,1080 18.848,1081 5.101,1082 8.256,1083 1.479,1084 1.492,1085 1.528,1086 1.469,1087 1.469,1088 1.995,1089 0.15,1090 4.121,1091 1.368,1092 4.127,1093 4.163,1094 4.101,1095 4.012,1096 5.242,1097 4.03,1098 3.778,1099 3.836,1100 3.738,1101 3.601,1102 5.065,1103 3.627,1104 3.572,1105 3.616,1106 3.436,1107 3.319,1108 4.676,1109 3.337,1110 3.36,1111 3.42,1112 3.256,1113 3.188,1114 4.601,1115 3.195,1116 3.121,1117 3.204,1118 2.952,1119 2.839,1120 4.435,1121 2.84,1122 3.03,1123 3.14,1124 2.865,1125 2.757,1126 4.27,1127 2.778,1128 2.832,1129 2.903,1130 2.708,1131 2.608,1132 3.898,1133 2.632,1134 2.585,1135 2.657,1136 2.48,1137 2.368,1138 3.574,1139 2.383,1140 0.203,1141 0.144,1142 0.3,1143 0.183,1144 0.141,1145 4.676,1146 0.201,1147 3.315,1148 0.037,1149 6.91,1150 0.505,1151 4.217,1152 0.137,1153 3.244,1154 4.633,1155 0.86,1156 11.624,1157 3.156,1158 1.898,1159 1.877,1160 1.954,1161 2.026,1162 1.095,1163 2.005,1164 1.736,1165 1.688,1166 1.832,1167 1.94,1168 0.966,1169 1.91,1170 1.476,1171 1.422,1172 1.746,1173 1.765,1174 0.808,1175 1.758,1176 1.38,1177 1.314,1178 1.542,1179 1.623,1180 0.557,1181 1.607,1182 1.098,1183 1.007,1184 1.5,1185 1.403,1186 0.512,1187 1.437,1188 1.021,1189 0.958,1190 1.261,1191 1.305,1192 0.28,1193 1.308,1194 0.927,1195 0.833,1196 1.168,1197 1.14,1198 0.06,1199 1.154,1200 0.55,1201 0.489,1202 0.914,1203 0.883,1205 0.885,1206 3.85,1208 5.142,1209 2.398,1210 6.642,1211 4.727,1212 8.25,1213 6.862,1214 9.917,1216 1.636,1220 5.649,1222 0.982,1224 10.753,1231 23.171,1232 60.601,1233 139.346,1234 165.362,1235 173.362,1236 175.362,1237 175.362,1238 24.455,1239 6.877,1240 98.94,1241 98.94,1242 17,1243 12.315,1244 4.087,1245 3.17,1246 31.981,1247 60,1248 80,1249 0.261,1250 144.355,1251 235.08,1252 343.987,1253 7987,1255 14.656,1256 0.698,1257 0.549,1258 14.656,1259 11.536,1260 10.292,1261 0.447,1262 0.281,1263 6.305,1264 9.687,1265 6.179,1266 5.124,1267 10.292,1268 6.461,1269 8.797,1270 0.284,1271 0.141,1272 8.797,1273 4.376,1274 7.365,1275 0.175,1276 0.072,1277 7.365,1278 3.03,1279 6.46,1280 0.111,1281 0.036,1282 6.46,1283 2.108,1284 5.163,1285 0.072,1286 0.019,1287 5.163,1288 1.343,1289 0.395,1290 65.927,1291 0.253,1292 20.537,1293 0.762,1294 108,1295 360.052,1296 122.222,1297 340.863,1298 468.82,1299 322,1300 127,1301 344.745,1302 140.918,1303 348.041,1304 508.96,1305 326,1306 5} {0 CHEMBL405200,1 1.666,2 6.25,3 0.933,4 0.871,5 58.095,6 8.843,7 0.889,8 3.353,9 3.459,10 3.062,11 2.899,12 4.642,13 2.931,14 3.769,15 3.905,16 3.397,17 3.26,18 5.036,19 3.278,20 3.912,21 4.073,22 3.383,23 3.292,24 5.125,25 3.291,26 3.88,27 4.045,28 3.299,29 3.199,30 5.189,31 3.188,32 3.842,33 4.051,34 3.021,35 3.037,36 5.055,37 2.984,38 3.641,39 3.894,40 2.738,41 2.707,42 4.803,43 2.665,44 3.219,45 3.471,46 2.128,47 2.222,48 4.454,49 2.132,50 2.529,51 2.864,52 1.006,53 1.47,54 3.258,55 1.269,56 0.079,57 0.402,58 3.392,59 1.718,60 7.184,61 1.748,62 0.15,63 0.613,64 5.575,65 2.615,66 10.77,67 2.8,68 0.165,69 0.649,70 7.738,71 3.349,72 17.411,73 3.794,74 0.248,75 0.607,76 7.674,77 3.225,78 22.025,79 3.708,80 0.247,81 0.563,82 8.674,83 3.211,84 23.6,85 3.895,86 0.205,87 0.442,88 8.47,89 2.593,90 19.131,91 3.359,92 0.196,93 0.269,94 5.671,95 1.692,96 21.14,97 2.122,98 0.063,99 0.122,100 3.489,101 0.998,102 6.549,103 1.551,104 2,105 25,106 0.327,107 0.702,108 0.852,109 0.885,110 0.901,111 0.901,112 2.856,113 0.796,114 -2.18,115 -2.23,116 -2.2,119 45.8,133 2,134 2,135 1,136 2,137 1,139 1,142 1,150 1,159 1,161 1,162 5,164 1,166 4,168 2,172 2,176 1,178 2,182 1,185 2,186 1,187 2,193 1,194 3,197 1,199 1,202 1,209 1,216 1,217 1,220 1,255 240,256 11.121,257 11.121,258 11.121,259 11.121,260 11.121,261 9.231,262 2.157,263 6.658,264 11.412,265 8.899,266 8.899,267 8.899,268 8.899,269 8.899,270 6.167,271 1.163,272 3.145,273 9.361,274 2.919,275 1.011,276 0.25,277 0.083,280 3.533,284 1,285 219,286 1.581,288 26.971,289 75.472,291 51.981,295 0.906,296 14.85,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 35,307 100,308 4.665,309 3.268,310 6.884,311 4.203,312 3.227,313 4.625,315 11.488,316 3.147,317 3.943,318 2.583,319 5.84,320 3.491,321 2.533,322 3.525,324 7.964,325 2.424,326 3.426,327 2.168,328 5.034,329 2.931,330 2,331 2.812,333 5.678,334 1.857,335 3.245,336 1.763,337 4.507,338 2.701,339 1.763,340 2.598,342 4.407,343 1.651,344 2.809,345 1.333,346 3.851,347 2.271,348 1.329,349 1.954,351 3.003,352 1.25,353 2.5,354 1,355 3.497,356 1.957,357 1,358 1.5,360 2.468,361 0.954,362 2.5,363 1,364 3.284,365 1.939,366 1,367 1.5,369 2.136,370 0.936,371 2.156,372 0.812,373 3.247,374 1.627,375 0.705,376 1.007,378 1.733,379 0.647,380 1.047,381 -0.04,382 2.383,383 0.602,384 -0.309,385 -0.397,386 -0.71,387 -0.279,388 0.828,389 -0.593,390 2.346,391 0.355,392 -0.593,393 -0.817,394 -1.407,395 -0.561,396 0.5,397 -1,398 2,399 -0.049,400 -1,401 -1.5,402 -2.347,403 -0.92,404 0.5,405 -1,406 1.82,407 -0.077,408 -1,409 -1.5,411 -2.509,412 -0.947,413 0.064,414 -1.112,415 1.555,416 -0.379,417 -1.294,418 -1.736,420 -3.313,421 -1.181,422 -0.125,423 -1.502,424 1.257,425 -0.567,426 -1.531,427 -2.133,429 -4.447,430 -1.469,431 -0.414,432 -1.874,433 1.04,434 -0.904,435 -1.883,436 -2.598,438 -4.789,439 -1.803,440 7.433,441 0.465,442 0.312,443 0.019,444 25.75,445 1.609,446 14.5,447 0.906,448 11.25,449 0.703,450 7.468,451 0.467,452 15.967,453 0.665,454 14.914,455 0.932,456 5.204,457 0.325,458 2.657,459 0.166,460 0.045,462 0.336,466 1.034,467 1.269,468 0.68,469 0.888,470 0.975,471 0.744,472 0.846,473 0.959,474 0.801,475 0.871,476 0.723,477 0.821,478 1.047,479 1.176,480 0.904,481 1.076,482 1.023,483 0.982,484 0.927,485 1.018,486 1.017,487 1.119,488 1.062,489 1.104,490 1.023,491 1.041,492 1.211,493 1.161,494 1.038,495 1.223,496 1.145,497 0.914,498 1.052,499 0.931,500 1.059,501 0.954,502 1.257,503 0.675,504 1.384,505 0.924,506 1.521,507 1.144,508 0.569,509 0.756,510 1.043,511 0.911,512 0.451,513 1.03,514 2,516 1.778,517 1.125,518 0.814,519 0.264,520 0.101,521 0.076,524 1923,525 6132,526 2.174,527 33.3,529 2,530 1,531 3,532 2,536 1.556,537 2.087,538 2.693,539 0.512,543 1,545 39.985,546 1.666,547 3.574,548 4.335,549 4.502,550 4.585,551 4.585,552 2.127,553 3.625,554 3.976,555 2.726,556 327.127,557 6.714,558 2739.22,560 1,563 110.039,564 1.198,565 3.954,566 0.111,568 0.071,569 0.047,570 0.039,571 0.018,572 0.009,573 0.015,576 0.31,577 0.67,578 1,579 0.5,580 62.635,581 -0.208,582 -0.2,583 -0.002,584 0.017,585 -0.193,586 0.044,587 -0.071,588 0.132,589 -0.076,590 0.021,591 -0.067,592 -0.014,593 -0.154,594 -0.205,595 -0.043,596 -0.121,597 -0.101,598 -0.067,599 0.12,600 -0.051,601 -0.121,602 -0.173,603 0.043,604 -0.199,605 -0.019,606 -0.122,607 -0.195,608 -0.193,609 -0.02,610 -0.232,611 -0.089,612 -0.025,613 0.112,614 0.05,615 -0.007,616 0.116,617 0.026,618 0.191,619 -0.174,620 0.063,621 -0.113,622 -0.077,623 0.115,624 -0.012,625 0.377,626 0.196,627 0.139,628 0.323,629 1.472,630 3.799,631 0.938,632 7.875,633 1.021,634 1.126,635 0.954,636 0.91,637 0.708,638 2.944,639 3.258,640 3.584,641 3.892,642 4.06,643 4.043,644 4.094,645 4.143,646 3.989,647 3.807,648 3.819,649 0.702,650 212.23,651 2.944,652 4.466,653 5.333,654 6.221,655 7.107,656 8.005,657 8.899,658 9.8,659 10.697,660 11.599,661 16.7,669 1,671 3,674 2,675 6,676 3,677 1,680 3,682 16,696 1,699 24,700 16,702 18,704 26,705 11,706 11,710 3,711 4,721 11,733 1,736 8,737 4,738 2,739 5,743 4,747 0.667,748 1,754 1,755 1,756 1,759 1,760 2,762 1,777 2,785 16,788 1,801 4.2,803 1,808 7.667,809 4.3,810 3.528,811 1.285,812 3.168,813 1.501,814 1.008,815 1.997,816 9.492,817 3.296,818 3.966,819 4.66,820 5.335,821 5.864,822 6.17,823 6.601,824 7.026,825 7.17,826 7.387,827 1,828 24,829 5.839,831 2.504,832 7.865,833 10.888,835 8.824,837 2.365,838 37.833,839 0.002,842 70.627,843 64.944,844 67.142,846 42.683,849 64.944,850 113.31,851 67.142,854 28,855 130.069,856 52.014,857 11.771,858 23.542,860 70.627,861 132.086,862 42.683,865 70.627,866 42.683,869 47.971,870 33.758,871 50.357,873 70.627,874 109.825,875 64.944,878 70.627,879 10.231,880 54.713,881 16.786,882 93.04,883 70.627,884 109.825,885 64.944,887 0.575,888 0.35,889 0.205,890 0.109,891 14,892 5,893 0.038,894 1,895 1,896 1.133,897 2.872,898 114.412,899 0.133,900 15,901 64,904 9.158,905 3.488,906 1.429,907 1.329,908 93.04,909 9.809,910 12.13,911 2.996,914 1.771,916 59.469,917 245.396,918 26,926 24.502,927 27.033,928 0.363,929 0.779,930 0.945,931 0.982,932 1,933 1,934 4.489,935 0.705,936 5.303,937 2.136,938 3.932,939 4.649,941 6.142,942 3.84,943 5.714,944 -0.309,945 6.87,946 1.733,947 3.434,948 4.407,950 7.13,951 3.334,952 7.029,953 -0.593,954 8.549,955 -0.71,956 5.525,957 6.966,959 10.298,960 5.372,961 8.392,962 -1,963 10.298,964 -1.407,965 5.943,966 7.667,968 12.196,969 5.793,970 9.794,971 -1,972 12.094,973 -2.347,974 7.463,975 9.617,977 14.869,978 7.268,979 11.226,980 -1.294,981 13.922,982 -2.509,983 8.302,984 10.767,986 17.106,987 8.106,988 12.68,989 -1.531,990 15.772,991 -3.313,992 9.598,993 12.466,995 19.623,996 9.366,997 3.227,998 -1.883,999 17.64,1000 -4.447,1001 10.626,1002 13.827,1004 21.987,1005 10.384,1006 2.533,1007 11.488,1008 19.52,1009 -4.789,1010 11.837,1011 15.423,1013 24.453,1014 11.565,1015 2,1016 7.964,1017 21.41,1018 4.625,1019 12.945,1020 16.878,1022 26.864,1023 12.657,1024 1.763,1025 5.678,1026 23.307,1027 3.525,1028 14.126,1029 18.433,1031 29.313,1032 13.812,1033 1.329,1034 4.407,1035 25.21,1036 2.812,1037 15.269,1038 19.931,1040 31.742,1041 14.934,1042 1,1043 3.003,1044 27.118,1045 2.598,1046 16.441,1047 21.47,1049 34.186,1050 16.081,1051 1,1052 2.468,1053 29.03,1054 1.954,1055 17.599,1056 22.986,1058 36.622,1059 17.217,1060 1878,1061 3431,1062 12.425,1063 17,1064 27.376,1065 27.089,1066 27.844,1067 27.128,1068 27.114,1069 39.04,1071 77.753,1072 25.732,1073 5.309,1074 5.268,1075 6.686,1076 5.274,1077 5.227,1078 7.625,1080 18.656,1081 5.092,1082 4.356,1083 1.521,1084 1.505,1085 1.547,1086 1.507,1087 1.506,1088 2.169,1090 4.32,1091 1.43,1092 4.122,1093 4.159,1094 4.096,1095 4.008,1096 6.47,1097 4.026,1098 3.756,1099 3.813,1100 3.708,1101 3.591,1102 5.073,1103 3.613,1104 3.373,1105 3.431,1106 3.283,1107 3.208,1108 4.92,1109 3.219,1110 2.935,1111 2.983,1112 2.874,1113 2.669,1114 4.325,1115 2.712,1116 2.779,1117 2.86,1118 2.634,1119 2.585,1120 3.915,1121 2.59,1122 2.625,1123 2.691,1124 2.538,1125 2.385,1126 3.748,1127 2.407,1128 2.363,1129 2.444,1130 2.218,1131 2.181,1132 3.5,1133 2.186,1134 2.143,1135 2.229,1136 1.953,1137 1.702,1138 3.129,1139 1.744,1140 0.259,1141 0.182,1142 0.382,1143 0.233,1144 0.179,1145 4.665,1146 0.257,1147 3.268,1149 6.884,1150 0.638,1151 4.203,1152 0.175,1153 3.227,1154 4.625,1156 11.488,1157 3.147,1158 1.893,1159 1.871,1160 1.95,1161 2.016,1162 1.069,1163 1.996,1164 1.729,1165 1.681,1166 1.829,1167 1.925,1168 0.809,1169 1.9,1170 1.379,1171 1.313,1172 1.537,1173 1.62,1174 0.516,1175 1.602,1176 1.007,1177 0.957,1178 1.182,1179 1.161,1180 0.281,1181 1.173,1182 0.762,1183 0.682,1184 1.051,1185 1.017,1186 0.019,1187 1.021,1188 0.601,1189 0.556,1190 0.85,1191 0.993,1193 0.958,1194 0.377,1195 0.297,1196 0.652,1197 0.645,1199 0.648,1202 0.498,1203 0.435,1205 0.459,1206 3.611,1208 4.92,1209 2.398,1210 6.447,1211 4.727,1212 8.074,1213 6.862,1214 9.751,1221 9.799,1231 16.854,1232 39.985,1233 85.774,1234 104.039,1235 108.039,1236 110.039,1237 110.039,1238 17.221,1239 6.324,1240 74.69,1241 74.69,1242 17,1243 12.121,1244 4.087,1245 3.17,1246 21.656,1247 36,1248 34,1249 0.311,1250 104.788,1251 163.39,1252 247.442,1253 3818,1255 10.958,1256 0.685,1257 0.516,1258 10.958,1259 8.253,1260 7.86,1261 0.437,1262 0.265,1263 4.692,1264 7.515,1265 4.627,1266 3.831,1267 7.86,1268 4.775,1269 6.885,1270 0.275,1271 0.134,1272 6.885,1273 3.351,1274 6.056,1275 0.173,1276 0.069,1277 6.056,1278 2.409,1279 5.371,1280 0.112,1281 0.035,1282 5.371,1283 1.691,1284 4.194,1285 0.074,1286 0.018,1287 4.194,1288 1.039,1289 0.454,1290 49.601,1291 0.284,1292 15.739,1293 0.958,1294 86,1295 271.418,1296 94.765,1297 266.849,1298 369.51,1299 250,1300 103,1301 278.044,1302 111.988,1303 282.523,1304 412.46,1305 266,1306 6.046} {0 CHEMBL405665,1 1.516,2 6.313,3 0.975,4 0.95,5 61.015,6 8.45,7 0.889,8 3.38,9 3.513,10 3.059,11 2.924,12 4.622,13 2.945,14 3.805,15 3.961,16 3.401,17 3.286,18 5.056,19 3.285,20 3.94,21 4.138,22 3.332,23 3.307,24 5.061,25 3.283,26 3.853,27 4.045,28 3.174,29 3.221,30 4.972,31 3.172,32 3.835,33 4.069,34 2.987,35 3.077,36 4.9,37 2.999,38 3.679,39 3.942,40 2.805,41 2.801,42 4.787,43 2.736,44 3.39,45 3.677,46 2.265,47 2.406,48 4.504,49 2.301,50 2.875,51 3.203,52 1.432,53 1.788,54 3.777,55 1.619,56 0.051,57 0.443,58 3.988,59 1.654,60 6.925,61 1.974,62 0.148,63 0.664,64 6.679,65 2.85,66 14.074,67 3.548,68 0.133,69 0.702,70 9.013,71 3.204,72 14.583,73 4.166,74 0.127,75 0.636,76 7.887,77 3.077,78 12.553,79 3.947,80 0.131,81 0.58,82 9.065,83 3.285,84 14.741,85 4.52,86 0.156,87 0.482,88 8.544,89 2.634,90 16.282,91 3.77,92 0.161,93 0.339,94 6.744,95 1.811,96 17.777,97 2.583,98 0.077,99 0.172,100 4.642,101 1.243,102 9.861,103 1.903,104 2,105 25,106 0.296,107 0.658,108 0.821,109 0.874,110 0.89,111 0.89,112 2.855,113 0.809,114 -2.59,115 -2.61,116 -2.55,119 44,133 3,134 2,136 2,137 1,141 1,142 1,150 1,152 1,153 1,154 1,159 3,161 1,162 5,163 2,164 3,166 2,168 3,172 3,176 1,178 2,182 2,185 1,187 4,190 1,192 2,193 1,194 3,199 1,202 1,204 1,206 1,209 1,210 1,211 1,212 1,215 1,216 1,217 1,219 1,220 1,222 1,226 1,255 244,256 11.069,257 11.069,258 11.069,259 11.069,260 11.069,261 9.199,262 3.162,263 6.608,264 11.351,265 8.909,266 8.909,267 8.909,268 8.909,269 8.909,270 6.184,271 2.5,272 3.139,273 9.365,274 3.128,275 1.271,276 0.43,277 0.16,278 0.08,279 0.08,280 3.533,284 1,285 221,286 1.581,288 27.272,289 76.8,291 52.273,295 0.977,296 10.859,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 34.5,307 101,308 4.594,309 3.157,310 6.709,311 4.133,312 3.156,313 4.531,315 10.902,316 3.085,317 4.02,318 2.623,319 5.773,320 3.523,321 2.585,322 3.657,324 7.878,325 2.427,326 3.489,327 2.164,328 5.03,329 3.033,330 2.103,331 2.862,333 5.914,334 1.95,335 3.047,336 1.548,337 4.483,338 2.514,339 1.547,340 2.319,342 4.223,343 1.493,344 2.957,345 1.505,346 4,347 2.439,348 1.484,349 2.166,351 3.466,352 1.413,353 2.674,354 1.204,355 3.567,356 2.146,357 1.194,358 1.756,360 2.68,361 1.135,362 2.5,363 1,364 3.468,365 1.949,366 1,367 1.5,369 2.426,370 0.946,371 1.971,372 0.485,373 3.081,374 1.424,375 0.485,376 0.717,378 1.165,379 0.454,380 0.953,381 -0.247,382 2.409,383 0.529,384 -0.398,385 -0.505,386 -0.885,387 -0.368,388 0.77,389 -0.618,390 2,391 0.308,392 -0.633,393 -0.852,394 -1.645,395 -0.594,396 0.657,397 -0.84,398 2,399 0.132,400 -0.84,401 -1.258,402 -2.062,403 -0.814,404 0.5,405 -1,406 2,407 -0.049,408 -1,409 -1.5,411 -2.551,412 -0.947,413 0.009,414 -1.265,415 1.574,416 -0.415,417 -1.349,418 -1.825,420 -3.402,421 -1.243,422 -0.11,423 -1.5,424 1.311,425 -0.569,426 -1.515,427 -2.139,429 -4.383,430 -1.436,431 -0.375,432 -1.865,433 1.07,434 -0.892,435 -1.866,436 -2.604,438 -5.333,439 -1.791,440 7.5,441 0.469,442 0.329,443 0.021,444 25.75,445 1.609,446 14.5,447 0.906,448 11.25,449 0.703,450 7.472,451 0.467,452 15.9,453 0.636,454 14.731,455 0.921,456 5.171,457 0.323,458 2.672,459 0.167,460 0.053,462 0.333,466 1.125,467 1.252,468 0.712,469 0.86,470 1.188,471 0.739,472 0.673,473 0.908,474 0.76,475 0.908,476 0.567,477 0.862,478 1.159,479 1.11,480 0.957,481 0.953,482 0.935,483 0.924,484 1.028,485 1.084,486 1.142,487 1.164,488 1,489 1.172,490 0.87,491 1.105,492 1.069,493 1.2,494 0.883,495 1.177,496 0.937,497 1.015,498 0.975,499 1.023,500 1.034,501 1.009,502 1.275,503 0.711,504 1.325,505 0.932,506 1.415,507 1.097,508 1.174,509 0.788,510 1.149,511 0.889,512 1.366,513 0.989,514 2.5,516 1.778,517 1.069,518 0.609,519 0.24,520 0.216,521 0.071,522 0.02,524 1975,525 5792,526 2.174,527 36,529 3,530 1,531 2,532 3,536 1.553,537 2.087,538 2.736,539 1.311,543 1,545 37.904,546 1.516,547 3.373,548 4.214,549 4.484,550 4.564,551 4.564,552 2.18,553 3.75,554 3.976,555 2.782,556 333.787,557 6.704,558 2802.14,560 1,563 116.096,564 1.198,565 3.954,566 0.139,568 0.071,569 0.046,570 0.032,571 0.016,572 0.018,573 0.012,574 0.01,576 0.345,577 0.67,578 1,579 0.5,580 63.029,581 -0.239,582 -0.136,583 0.011,584 0.044,585 -0.311,586 0.068,587 0.24,588 0.181,589 0.02,590 0.012,591 0.202,592 -0.018,593 -0.233,594 -0.11,595 -0.067,596 -0.007,597 -0.111,598 -0.006,599 -0.155,600 -0.086,601 -0.277,602 -0.211,603 -0.184,604 -0.256,605 0.005,606 -0.2,607 -0.079,608 -0.207,609 0.001,610 -0.168,611 0.127,612 -0.124,613 0.108,614 -0.06,615 0.1,616 0.004,617 -0.059,618 0.184,619 -0.187,620 -0.002,621 -0.065,622 -0.095,623 -0.113,624 -0.043,625 0.137,626 0.147,627 -0.065,628 0.181,629 1.393,630 1.561,631 0.938,632 8.031,633 1.011,634 1.133,635 1.36,636 1.85,637 0.702,638 2.944,639 3.258,640 3.555,641 3.85,642 4.025,643 4.025,644 4.094,645 4.143,646 3.951,647 3.871,648 3.935,649 0.686,650 211.25,651 2.944,652 4.466,653 5.323,654 6.205,655 7.081,656 7.97,657 8.854,658 9.745,659 10.632,660 11.525,661 20,665 1,669 1,671 3,674 2,675 6,676 3,677 1,680 3,682 16,691 1,699 25,700 16,702 18,704 27,705 11,706 11,710 3,711 4,721 11,733 1,736 9,737 4,738 3,739 5,743 5,747 0.667,754 1,755 1,756 1,759 1,760 2,762 1,777 2,785 16,786 1,808 7.667,809 4.433,810 3.5,811 1.333,812 3.181,813 1.503,814 1.067,815 1.997,816 9.5,817 3.296,818 3.966,819 4.638,820 5.302,821 5.834,822 6.143,823 6.585,824 7.011,825 7.123,826 7.434,827 1,828 23,829 5.823,831 2.462,832 7.74,833 10.98,835 8.873,837 2.24,838 35.833,839 0.002,842 70.627,843 67.701,844 100.039,849 67.701,850 70.627,851 100.039,854 70.373,855 75.614,856 43.396,857 13.67,858 35.313,860 70.627,861 167.74,865 70.627,869 41.252,870 76.132,871 50.357,873 70.627,874 100.039,875 67.701,878 70.627,879 12.13,880 55.571,881 16.786,882 83.254,883 70.627,884 100.039,885 67.701,887 0.577,888 0.341,889 0.196,890 0.105,891 14,892 5,893 0.037,894 1,895 1,896 1.133,897 2.895,898 113.278,899 0.133,900 15,901 64,904 9.158,905 3.488,906 1.52,907 1.871,908 83.254,909 10.978,910 12.275,911 3.094,914 2.055,916 49.683,917 238.367,918 26,926 25.276,927 28.322,928 0.326,929 0.726,930 0.907,931 0.966,932 0.983,933 0.983,934 4.489,935 0.485,936 5.293,937 2.426,938 3.932,939 4.649,941 6.107,942 3.841,943 5.714,944 -0.398,945 6.845,946 1.165,947 3.434,948 4.407,950 7.018,951 3.319,952 7.026,953 -0.633,954 8.502,955 -0.885,956 5.509,957 6.953,959 10.156,960 5.347,961 8.382,962 -0.84,963 10.226,964 -1.645,965 5.889,966 7.618,968 11.965,969 5.719,970 9.773,971 -1,972 11.994,973 -2.062,974 7.407,975 9.57,977 14.603,978 7.196,979 11.192,980 -1.349,981 13.792,982 -2.551,983 8.2,984 10.675,986 16.76,987 7.987,988 12.631,989 -1.515,990 15.613,991 -3.402,992 9.487,993 12.369,995 19.235,996 9.242,997 3.156,998 -1.866,999 17.451,1000 -4.383,1001 10.472,1002 13.688,1004 21.528,1005 10.221,1006 2.585,1007 10.902,1008 19.302,1009 -5.333,1010 11.666,1011 15.271,1013 23.947,1014 11.389,1015 2.103,1016 7.878,1017 21.162,1018 4.531,1019 12.738,1020 16.691,1022 26.296,1023 12.451,1024 1.547,1025 5.914,1026 23.03,1027 3.657,1028 13.897,1029 18.227,1031 28.695,1032 13.588,1033 1.484,1034 4.223,1035 24.904,1036 2.862,1037 15.009,1038 19.693,1040 31.067,1041 14.685,1042 1.194,1043 3.466,1044 26.784,1045 2.319,1046 16.156,1047 21.211,1049 33.459,1050 15.812,1051 1,1052 2.68,1053 28.667,1054 2.166,1055 17.286,1056 22.7,1058 35.84,1059 16.924,1060 1923,1061 3376,1062 12.425,1063 17.551,1064 27.389,1065 27.017,1066 27.777,1067 27.121,1068 27.109,1069 39.018,1071 77.306,1072 25.806,1073 5.248,1074 5.157,1075 6.391,1076 5.204,1077 5.156,1078 7.531,1080 18.054,1081 5.029,1082 4.574,1083 1.522,1084 1.501,1085 1.543,1086 1.507,1087 1.506,1088 2.168,1090 4.295,1091 1.434,1092 4.12,1093 4.161,1094 4.089,1095 4.01,1096 5.241,1097 4.025,1098 3.775,1099 3.835,1100 3.733,1101 3.6,1102 5.047,1103 3.624,1104 3.367,1105 3.433,1106 3.268,1107 3.212,1108 4.601,1109 3.218,1110 3.035,1111 3.145,1112 2.9,1113 2.761,1114 4.331,1115 2.787,1116 2.855,1117 2.932,1118 2.762,1119 2.635,1120 3.96,1121 2.659,1122 2.564,1123 2.648,1124 2.471,1125 2.373,1126 3.786,1127 2.382,1128 2.364,1129 2.444,1130 2.218,1131 2.18,1132 3.453,1133 2.184,1134 2.228,1135 2.372,1136 1.972,1137 1.793,1138 3.159,1139 1.813,1140 0.255,1141 0.175,1142 0.373,1143 0.23,1144 0.175,1145 4.594,1146 0.252,1147 3.157,1149 6.709,1150 0.606,1151 4.133,1152 0.171,1153 3.156,1154 4.531,1156 10.902,1157 3.085,1158 1.902,1159 1.874,1160 1.975,1161 2.019,1162 1.081,1163 2.006,1164 1.735,1165 1.685,1166 1.833,1167 1.936,1168 0.815,1169 1.909,1170 1.387,1171 1.319,1172 1.544,1173 1.631,1174 0.514,1175 1.615,1176 1.024,1177 0.965,1178 1.261,1179 1.308,1180 0.281,1181 1.309,1182 0.927,1183 0.833,1184 1.169,1185 1.14,1187 1.154,1188 0.58,1189 0.495,1190 0.88,1191 0.843,1193 0.86,1194 0.38,1195 0.297,1196 0.652,1197 0.661,1199 0.656,1200 0.15,1202 0.526,1203 0.551,1205 0.562,1206 3.611,1208 4.92,1209 2.398,1210 6.438,1211 4.727,1212 8.048,1213 6.843,1214 9.705,1220 5.561,1231 17.161,1232 37.904,1233 84.322,1234 105.342,1235 112.096,1236 114.096,1237 114.096,1238 13.75,1239 6.319,1240 80.48,1241 80.48,1242 17,1243 12.053,1244 4.087,1245 3.17,1246 21.717,1247 37,1248 32,1249 0.3,1250 107.586,1251 165.6,1252 254.269,1253 3827,1255 10.958,1256 0.685,1257 0.524,1258 10.958,1259 8.383,1260 7.843,1261 0.436,1262 0.27,1263 4.779,1264 7.536,1265 4.705,1266 3.908,1267 7.843,1268 4.854,1269 6.981,1270 0.279,1271 0.136,1272 6.981,1273 3.402,1274 5.971,1275 0.176,1276 0.071,1277 5.971,1278 2.401,1279 5.234,1280 0.114,1281 0.037,1282 5.234,1283 1.692,1284 4.107,1285 0.075,1286 0.019,1287 4.107,1288 1.049,1289 0.442,1290 49.119,1291 0.284,1292 15.827,1293 0.905,1294 86,1295 248.58,1296 94.465,1297 248.945,1298 351.17,1299 234,1300 102,1301 271.563,1302 110.16,1303 276.298,1304 403.54,1305 261,1306 6.886} {0 CHEMBL406102,1 1.662,2 6.389,3 0.913,4 0.834,5 67.606,6 8.32,7 0.8,8 3.523,9 3.647,10 3.177,11 3.015,12 4.788,13 3.044,14 3.964,15 4.133,16 3.548,17 3.39,18 5.214,19 3.406,20 4.106,21 4.269,22 3.569,23 3.48,24 5.325,25 3.48,26 4.168,27 4.355,28 3.504,29 3.463,30 5.391,31 3.434,32 4.121,33 4.32,34 3.334,35 3.361,36 5.321,37 3.303,38 4.097,39 4.34,40 3.115,41 3.154,42 5.259,43 3.094,44 3.861,45 4.143,46 2.748,47 2.816,48 5.083,49 2.701,50 3.429,51 3.747,52 1.68,53 2.196,54 4.474,55 2.021,56 0.087,57 0.492,58 4.964,59 2.034,60 10.97,61 2.46,62 0.213,63 0.743,64 8.902,65 3.328,66 16.042,67 4.238,68 0.183,69 0.812,70 10.224,71 3.862,72 19.571,73 4.869,74 0.302,75 0.804,76 11.907,77 4.31,78 26.631,79 5.625,80 0.234,81 0.746,82 11.535,83 4.332,84 22.761,85 5.8,86 0.334,87 0.659,88 13.372,89 3.846,90 36.051,91 5.231,92 0.302,93 0.483,94 11.55,95 3.345,96 36.247,97 5.079,98 0.223,99 0.284,100 8.061,101 1.591,102 29.009,103 2.456,104 10,105 29,106 0.314,107 0.742,108 0.836,109 0.862,110 0.875,111 0.875,112 2.963,113 0.808,114 -2.37,115 -2.4,116 -2.36,119 41.4,123 1,133 2,134 2,135 1,136 2,137 1,141 1,142 1,150 1,152 1,153 1,154 1,159 1,161 2,162 7,163 2,164 2,166 2,168 2,172 2,176 1,178 2,181 1,182 3,185 2,187 2,192 2,193 1,194 3,197 1,199 2,202 1,204 1,205 1,208 1,209 1,216 1,217 1,219 1,220 2,221 1,222 1,223 1,226 1,255 338,256 12.069,257 12.069,258 12.069,259 12.069,260 12.069,261 10.109,262 8.481,263 6.999,264 12.424,265 9.866,266 9.866,267 9.866,268 9.866,269 9.866,270 6.975,271 6.163,272 3.306,273 10.452,274 3.196,275 0.935,276 0.44,277 0.302,278 0.233,279 0.233,280 3.636,284 1,285 247,286 1.871,288 31.562,289 87.687,291 60.748,295 0.944,296 17.606,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 39.5,307 115,308 4.736,309 3.345,310 6.986,311 4.269,312 3.301,313 4.717,315 11.87,316 3.196,317 4.062,318 2.704,319 5.976,320 3.595,321 2.655,322 3.688,324 8.395,325 2.499,326 3.65,327 2.464,328 5.52,329 3.191,330 2.262,331 3.089,333 6.829,334 2.094,335 3.505,336 2.212,337 5.03,338 3.06,339 2.13,340 2.875,342 5.926,343 1.972,344 2.967,345 1.53,346 4.351,347 2.449,348 1.496,349 2.181,351 3.945,352 1.424,353 2.712,354 1.45,355 4.324,356 2.24,357 1.301,358 1.802,360 3.651,361 1.218,362 2.677,363 1.217,364 3.624,365 2.155,366 1.204,367 1.756,369 2.666,370 1.14,371 2.374,372 0.955,373 3.463,374 1.853,375 0.913,376 1.318,378 2.297,379 0.855,380 1.095,381 0.068,382 2.608,383 0.674,384 -0.24,385 -0.301,386 -0.564,387 -0.217,388 0.953,389 -0.246,390 2.434,391 0.531,392 -0.396,393 -0.503,394 -0.883,395 -0.367,396 0.787,397 -0.464,398 2.277,399 0.313,400 -0.626,401 -0.78,402 -1.506,403 -0.584,404 0.687,405 -0.618,406 2,407 0.295,408 -0.639,409 -0.864,411 -1.823,412 -0.597,413 0.299,414 -1.063,415 2,416 -0.164,417 -1.109,418 -1.594,420 -3.116,421 -1.041,422 -0.036,423 -1.153,424 1.573,425 -0.426,426 -1.34,427 -1.777,429 -3.403,430 -1.225,431 -0.09,432 -1.286,433 1.501,434 -0.477,435 -1.389,436 -1.864,438 -3.433,439 -1.264,440 8.333,441 0.463,442 0.507,443 0.028,444 27.75,445 1.542,446 15,447 0.833,448 12.75,449 0.708,450 9.798,451 0.544,452 18.667,453 0.644,454 17.988,455 0.999,456 5.564,457 0.309,458 3.101,459 0.172,460 0.148,462 0.408,466 1.084,467 1.397,468 0.737,469 0.97,470 1.122,471 0.813,472 0.771,473 0.816,474 0.671,475 0.723,476 0.539,477 0.674,478 1.113,479 1.251,480 0.931,481 1.082,482 1.002,483 0.984,484 0.937,485 1.013,486 1.018,487 1.077,488 1.008,489 1.068,490 0.857,491 1.233,492 1.106,493 1.346,494 0.816,495 1.297,496 1.377,497 0.95,498 1.207,499 1.015,500 1.53,501 1.078,502 0.643,503 0.871,504 0.971,505 1.037,506 0.643,507 1.075,508 1.724,509 0.662,510 1.655,511 0.782,512 1.903,513 1.107,514 3.5,516 2.222,517 1.854,518 1.286,519 0.438,520 0.357,521 0.127,522 0.02,524 2497,525 7742,526 2.086,527 37.9,529 5,530 1,531 2,532 3,536 1.594,537 1.929,538 2.724,539 1.251,541 1,543 1,545 48.199,546 1.662,547 3.923,548 4.418,549 4.556,550 4.625,551 4.625,552 2.135,553 3.948,554 4.145,555 2.801,556 428.51,557 7.068,558 3929.77,560 1,563 140.881,564 1.481,565 4.09,566 0.175,568 0.077,569 0.064,570 0.049,571 0.021,572 0.022,573 0.013,574 0.01,576 0.431,577 0.67,578 1,579 0.662,580 73.908,581 -0.217,582 -0.242,583 0.006,584 -0.002,585 -0.271,586 0.039,587 0.067,588 0.314,589 0.149,590 0.226,591 0.123,592 0.209,593 -0.208,594 -0.183,595 -0.1,596 -0.109,597 -0.133,598 -0.081,599 0.044,600 -0.001,601 -0.121,602 -0.101,603 -0.029,604 -0.135,605 0.03,606 -0.265,607 -0.19,608 -0.355,609 0.067,610 -0.329,611 -0.193,612 -0.057,613 -0.154,614 -0.075,615 -0.271,616 -0.108,617 0.359,618 -0.056,619 0.162,620 -0.069,621 0.416,622 -0.016,623 -0.521,624 0.158,625 -0.45,626 0.078,627 -0.553,628 -0.115,629 1.493,630 3.968,631 0.833,632 10,633 1.017,634 1.136,635 1.137,636 1.293,637 0.682,638 3.045,639 3.401,640 3.714,641 4.043,642 4.263,643 4.277,644 4.344,645 4.369,646 4.277,647 4.111,648 4.068,649 0.669,650 241.28,651 3.045,652 4.595,653 5.468,654 6.375,655 7.272,656 8.185,657 9.091,658 10.006,659 10.917,660 11.833,661 17.2,665 1,669 1,671 3,674 2,675 5,676 3,680 4,681 1,682 16,691 1,696 1,699 29,700 16,702 20,704 31,705 12,706 11,710 3,711 4,721 11,722 1,733 1,736 11,737 5,738 3,739 6,743 5,747 0.667,748 1,754 1,755 1,756 1,759 1,760 2,762 1,777 2,781 1,785 18,786 1,788 1,801 3.4,803 1,808 9.333,809 5.5,810 3.889,811 1.506,812 3.166,813 1.482,814 0.996,815 2.419,816 9.73,817 3.367,818 4.073,819 4.761,820 5.448,821 6.011,822 6.344,823 6.774,824 7.186,825 7.391,826 7.605,827 1,828 29,829 6.575,831 2.815,832 7.889,833 12.238,835 9.9,837 2.389,838 43,839 0.001,842 94.169,843 66.621,844 85.153,846 42.683,849 66.621,850 136.852,851 85.153,852 8.396,854 60.897,855 118.297,856 28.509,857 13.67,858 58.856,860 94.169,861 151.774,862 42.683,865 94.169,866 42.683,869 26.365,870 75.052,871 50.357,873 94.169,874 127.836,875 66.621,878 94.169,879 12.13,880 56.39,882 125.937,883 94.169,884 127.836,885 66.621,887 0.59,888 0.354,889 0.205,890 0.116,891 16,892 7,893 0.032,894 1,895 1,896 1.133,897 2.96,898 137.005,899 0.133,900 15,901 75.059,904 10.989,905 3.962,906 1.726,907 1.361,908 125.937,909 8.312,910 12.257,914 1.823,915 1.836,916 75.581,917 288.626,918 28,926 29.487,927 32.947,928 0.342,929 0.808,930 0.909,931 0.938,932 0.952,933 0.952,934 4.595,935 0.913,936 5.476,937 2.666,938 4.078,939 4.758,941 6.344,942 3.97,943 5.849,944 -0.24,945 7.069,946 2.297,947 3.761,948 4.691,950 7.361,951 3.606,952 7.188,953 -0.396,954 8.765,955 -0.564,956 5.714,957 7.104,959 10.523,960 5.522,961 8.568,962 -0.626,963 10.523,964 -0.883,965 6.217,966 7.892,968 12.417,969 5.993,970 9.982,971 -0.639,972 12.321,973 -1.506,974 7.677,975 9.78,977 15.113,978 7.421,979 11.423,980 -1.109,981 14.149,982 -1.823,983 8.561,984 10.98,986 17.362,987 8.282,988 12.885,989 -1.34,990 15.999,991 -3.116,992 9.836,993 12.656,995 19.906,996 9.527,997 3.301,998 -1.389,999 17.866,1000 -3.403,1001 10.892,1002 14.049,1004 22.295,1005 10.56,1006 2.655,1007 11.87,1008 19.747,1009 -3.433,1010 12.102,1011 15.641,1013 24.79,1014 11.741,1015 2.262,1016 8.395,1017 21.639,1018 4.717,1019 13.233,1020 17.122,1022 27.231,1023 12.847,1024 2.13,1025 6.829,1026 23.541,1027 3.688,1028 14.424,1029 18.684,1031 29.71,1032 14.01,1033 1.496,1034 5.926,1035 25.449,1036 3.089,1037 15.588,1038 20.203,1040 32.171,1041 15.146,1042 1.301,1043 3.945,1044 27.364,1045 2.875,1046 16.775,1047 21.755,1049 34.646,1050 16.304,1051 1.204,1052 3.651,1053 29.284,1054 2.181,1055 17.954,1056 23.291,1058 37.115,1059 17.454,1060 2481,1061 4455,1062 13.235,1063 19.767,1064 30.967,1065 30.426,1066 32.147,1067 30.583,1068 30.527,1069 42.851,1071 91.158,1072 28.796,1073 5.392,1074 5.345,1075 6.537,1076 5.34,1077 5.301,1078 7.717,1080 19.193,1081 5.14,1082 8.372,1083 1.548,1084 1.521,1085 1.607,1086 1.529,1087 1.526,1088 2.143,1090 4.558,1091 1.44,1092 4.138,1093 4.175,1094 4.115,1095 4.022,1096 6.47,1097 4.041,1098 3.779,1099 3.838,1100 3.739,1101 3.601,1102 5.236,1103 3.627,1104 3.447,1105 3.508,1106 3.349,1107 3.269,1108 4.952,1109 3.28,1110 3.1,1111 3.192,1112 2.983,1113 2.885,1114 4.598,1115 2.893,1116 2.973,1117 3.068,1118 2.826,1119 2.729,1120 4.305,1121 2.743,1122 2.807,1123 2.865,1124 2.641,1125 2.486,1126 3.941,1127 2.516,1128 2.568,1129 2.645,1130 2.45,1131 2.374,1132 3.636,1133 2.385,1134 2.341,1135 2.431,1136 2.176,1137 2.145,1138 3.474,1139 2.144,1140 0.237,1141 0.167,1142 0.349,1143 0.213,1144 0.165,1145 4.736,1146 0.236,1147 3.345,1149 6.986,1150 0.594,1151 4.269,1152 0.16,1153 3.301,1154 4.717,1156 11.87,1157 3.196,1158 1.896,1159 1.873,1160 1.95,1161 2.025,1162 1.074,1163 2.003,1164 1.75,1165 1.7,1166 1.855,1167 1.955,1168 0.905,1169 1.928,1170 1.487,1171 1.418,1172 1.686,1173 1.72,1174 0.691,1175 1.713,1176 1.105,1177 1.045,1178 1.331,1179 1.34,1180 0.375,1181 1.346,1182 0.932,1183 0.834,1184 1.234,1185 1.211,1186 0.152,1187 1.232,1188 0.731,1189 0.639,1190 1.022,1191 1.021,1193 0.995,1194 0.601,1195 0.555,1196 0.847,1197 0.955,1199 0.956,1200 0.372,1201 0.287,1202 0.652,1203 0.659,1205 0.655,1206 3.714,1208 5.056,1209 2.398,1210 6.603,1211 4.844,1212 8.244,1213 7.05,1214 9.936,1216 1.864,1220 5.578,1221 9.968,1231 19.402,1232 48.199,1233 113.762,1234 128.127,1235 132.127,1236 134.127,1237 134.127,1238 21.895,1239 6.564,1240 89.85,1241 89.85,1242 17,1243 12.345,1244 4.087,1245 3.17,1246 25.504,1247 43,1248 40,1249 0.304,1250 121.174,1251 191.69,1252 287.425,1253 5029,1255 12.698,1256 0.705,1257 0.539,1258 12.698,1259 9.7,1260 8.665,1261 0.433,1262 0.269,1263 5.282,1264 8.255,1265 5.151,1266 4.29,1267 8.665,1268 5.385,1269 8.058,1270 0.278,1271 0.137,1272 8.058,1273 3.982,1274 6.8,1275 0.17,1276 0.07,1277 6.8,1278 2.785,1279 6.024,1280 0.108,1281 0.036,1282 6.024,1283 2.004,1284 4.925,1285 0.07,1286 0.019,1287 4.925,1288 1.326,1289 0.445,1290 54.83,1291 0.275,1292 17.449,1293 0.939,1294 98,1295 300.042,1296 108.929,1297 295.984,1298 411.08,1299 276,1300 118,1301 314.439,1302 129.152,1303 319.965,1304 468.6,1305 300,1306 5.921} {0 CHEMBL406463,1 1.6,2 7.15,3 1.685,4 2.839,5 76.645,6 7.695,7 0.727,8 3.681,9 3.811,10 3.276,11 3.17,12 4.849,13 3.179,14 4.166,15 4.342,16 3.637,17 3.523,18 5.327,19 3.519,20 4.335,21 4.529,22 3.615,23 3.587,24 5.404,25 3.57,26 4.285,27 4.478,28 3.617,29 3.612,30 5.362,31 3.571,32 4.331,33 4.525,34 3.544,35 3.64,36 5.382,37 3.567,38 4.413,39 4.657,40 3.473,41 3.566,42 5.426,43 3.48,44 4.324,45 4.603,46 3.083,47 3.316,48 5.356,49 3.186,50 3.974,51 4.287,52 2.513,53 2.933,54 4.826,55 2.76,56 0.051,57 0.564,58 6.894,59 2.672,60 8.765,61 3.6,62 0.201,63 0.838,64 12.718,65 4.647,66 22.091,67 6.243,68 0.295,69 0.906,70 16.372,71 5.01,72 25.248,73 6.779,74 0.257,75 0.899,76 14.842,77 5.4,78 19.9,79 7.524,80 0.207,81 0.945,82 15.273,83 5.784,84 21.249,85 8.09,86 0.233,87 0.962,88 18.119,89 5.812,90 25.029,91 8.69,92 0.424,93 0.802,94 17.873,95 4.57,96 39.38,97 7.222,98 0.227,99 0.52,100 13.435,101 3.639,102 26.149,103 5.777,104 12,105 31,106 0.291,107 0.691,108 0.801,109 0.822,110 0.832,111 0.832,112 3.059,113 0.868,114 -2.9,115 -2.91,116 -2.81,119 40,120 2,126 1,133 2,134 2,135 1,136 2,137 1,141 1,142 1,150 1,152 1,153 1,154 1,159 1,161 1,162 9,163 2,164 3,166 2,168 3,172 3,178 2,181 1,182 1,185 2,187 4,190 4,192 2,193 2,194 4,199 1,202 3,204 1,206 2,209 1,210 1,211 2,212 1,216 2,217 3,219 2,220 2,222 1,224 2,226 1,242 2,247 2,252 2,255 482,256 13.43,257 13.43,258 13.43,259 13.43,260 13.43,261 11.568,262 9.632,263 7.961,264 13.863,265 10.892,266 10.892,267 10.892,268 10.892,269 10.892,270 8.111,271 10.64,272 3.787,273 11.586,274 3.529,275 1.336,276 0.729,277 0.615,278 0.557,279 0.557,280 3.737,283 1,284 1,285 303,286 2.646,288 36.953,289 101.81,291 71.553,295 1.08,296 16.173,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 43.5,307 143,308 4.678,309 3.333,310 6.912,311 4.219,312 3.247,313 4.633,314 0.86,315 11.636,316 3.157,317 4.054,318 2.835,319 5.913,320 3.596,321 2.656,322 3.678,324 8.293,325 2.497,326 3.582,327 2.573,328 5.279,329 3.229,330 2.32,331 2.93,333 6.552,334 2.101,335 3.472,336 2.175,337 5.03,338 3.025,339 2.097,340 2.843,342 5.914,343 1.939,344 3.014,345 1.964,346 4.54,347 2.766,348 1.816,349 2.18,351 4.618,352 1.716,353 2.961,354 1.512,355 4.288,356 2.448,357 1.491,358 2.049,360 3.862,361 1.424,362 2.68,363 1.218,364 3.805,365 2.158,366 1.204,367 1.764,369 2.742,370 1.146,371 2.5,372 1,373 3.473,374 1.949,375 1,376 1.5,378 2.457,379 0.946,380 2.153,381 0.829,382 3.335,383 1.643,384 0.721,385 1.01,386 1.833,387 0.662,388 1.152,389 0.123,390 2.625,391 0.789,392 -0.119,393 -0.144,394 -0.306,395 -0.108,396 0.953,397 -0.247,398 2.408,399 0.527,400 -0.399,401 -0.506,402 -0.889,403 -0.369,404 0.766,405 -0.618,406 2.22,407 0.308,408 -0.633,409 -0.853,411 -1.729,412 -0.594,413 0.5,414 -0.67,415 2,416 0.038,417 -0.898,418 -1,420 -2,421 -0.833,422 0.409,423 -1,424 2,426 -1,427 -1.135,429 -2.365,430 -0.947,431 0.009,432 -1,433 1.739,434 -0.049,435 -1,436 -1.5,438 -2.697,439 -1,440 9.333,441 0.467,442 0.524,443 0.026,444 28.75,445 1.438,446 15,447 0.75,448 13.75,449 0.688,450 13.321,451 0.666,452 21.267,453 0.608,454 18.57,455 0.928,456 5.573,457 0.279,458 4.075,459 0.204,460 0.15,462 0.375,466 1.016,467 1.382,468 0.776,469 1.076,470 1.154,471 0.908,472 0.945,473 0.971,474 0.726,475 0.948,476 0.601,477 0.831,478 1.754,479 1.013,480 1.023,481 0.833,482 1.255,483 0.829,484 0.809,485 0.995,486 0.844,487 0.999,488 0.753,489 0.945,490 0.809,491 1.234,492 1.061,493 1.279,494 0.815,495 1.235,496 0.829,497 1.211,498 1.001,499 1.194,500 0.852,501 1.138,502 1.068,503 0.832,504 1.306,505 0.995,506 1.067,507 1.144,508 1.05,509 0.763,510 1.094,511 0.826,512 1.242,513 0.94,514 4,516 2,517 1.438,518 1.126,519 0.556,520 0.552,521 0.177,522 0.123,523 0.031,524 3371,525 9244,526 2.077,527 42.9,529 3,530 1,531 2,532 3,534 6,536 1.625,537 1.935,538 2.893,539 1.152,541 1,543 1,545 56.009,546 1.6,547 3.793,548 4.4,549 4.515,550 4.572,551 4.572,552 2.261,553 4.022,554 4.293,555 2.992,556 568.448,557 7.371,558 5682.76,559 1,560 1,562 1,563 179.525,564 1.441,565 4.248,566 0.182,568 0.065,569 0.048,570 0.038,571 0.021,572 0.023,573 0.013,574 0.015,575 0.008,576 0.411,577 0.67,578 1,579 1.059,580 86.5,581 -0.128,582 -0.181,583 0.039,584 -0.047,585 -0.245,586 0.019,587 0.132,588 0.118,589 0.179,590 0.055,591 0.292,592 0.11,593 -0.341,594 -0.009,595 -0.053,596 0.143,597 -0.228,598 0.098,599 0.155,600 0.041,601 0.069,602 0.024,603 0.094,604 0.031,605 0.027,606 -0.2,607 -0.171,608 -0.248,609 -0.025,610 -0.251,611 0.023,612 -0.246,613 -0.039,614 -0.223,615 0.04,616 -0.158,617 -0.011,618 0.114,619 -0.278,620 -0.115,622 -0.218,623 -0.153,624 0.059,625 -0.028,626 0.112,627 -0.194,628 0.074,629 1.424,630 2.344,631 0.75,632 12.91,633 1.007,634 1.136,635 1.673,636 2.797,637 0.665,638 3.135,639 3.466,640 3.738,641 4.078,642 4.29,643 4.369,644 4.454,645 4.522,646 4.443,647 4.407,648 4.564,649 0.642,650 269.34,651 3.135,652 4.673,653 5.525,654 6.422,655 7.302,656 8.207,657 9.099,658 10.008,659 10.906,660 11.817,661 14.3,665 1,669 1,671 3,674 2,675 5,676 3,677 1,680 4,682 16,691 1,697 1,699 35,700 16,702 22,704 37,705 14,706 11,710 3,711 4,715 2,719 1,721 11,722 3,732 1,733 1,736 15,737 5,738 3,739 6,743 5,747 0.667,748 1,754 1,755 1,756 1,759 1,760 2,762 1,777 2,781 2,785 20,786 1,791 1,793 1,801 2.9,806 1,808 10.333,809 6.85,810 4.361,811 2.049,812 3.199,813 1.471,814 1.002,815 3.283,816 9.984,817 3.434,818 4.09,819 4.746,820 5.435,821 5.987,822 6.349,823 6.789,824 7.226,825 7.426,826 7.735,827 0.8,828 30,829 7.318,831 3.053,832 7.717,833 13.862,835 11.075,837 2.217,838 44.333,839 0.001,842 141.253,843 81.118,844 100.039,846 11,849 81.118,850 152.253,851 100.039,852 17.65,854 60.897,855 75.614,856 59.639,857 13.67,858 105.94,860 141.253,861 181.158,862 11,865 70.627,866 81.626,869 58.902,870 71.899,871 50.357,873 141.253,874 111.039,875 81.118,878 141.253,879 17.373,880 63.745,881 16.786,882 94.254,883 141.253,884 111.039,885 81.118,887 0.579,888 0.326,889 0.194,890 0.112,891 16,892 7,893 0.081,894 3,895 1,896 1.133,897 3.166,898 155.358,899 0.133,900 15,901 84.439,904 12.881,905 5.098,906 2.479,907 1.662,908 94.254,909 8.868,910 12.467,911 3.127,914 2.661,916 49.683,917 333.411,918 30,926 35.254,927 39.777,928 0.312,929 0.739,930 0.858,931 0.88,932 0.891,933 0.891,934 4.654,935 1,936 5.517,937 2.742,938 4.143,939 4.775,940 0.908,941 6.351,942 4.03,943 5.881,944 0.721,945 7.083,946 2.457,947 3.761,948 4.62,950 7.314,951 3.617,952 7.197,953 -0.119,954 8.752,955 1.833,956 5.74,957 7.066,958 0.739,959 10.461,960 5.536,961 8.555,962 -0.399,963 10.485,964 -0.306,965 6.176,966 7.791,968 12.322,969 5.962,970 9.949,971 -0.633,972 12.262,973 -0.889,974 7.651,975 9.698,976 0.593,977 15,978 7.39,979 11.371,980 -0.898,981 14.072,982 -1.729,983 8.48,984 10.852,986 17.225,987 8.215,988 12.815,989 -1,990 15.907,991 -2,992 9.756,993 12.532,994 0.469,995 19.751,996 9.455,997 3.247,998 -1,999 17.761,1000 -2.365,1001 10.772,1002 13.891,1004 22.117,1005 10.463,1006 2.656,1007 11.636,1008 19.63,1009 -2.697,1010 11.973,1011 15.478,1012 0.366,1013 24.593,1014 11.636,1015 2.32,1016 8.293,1017 21.512,1018 4.633,1019 13.074,1020 16.931,1022 27.013,1023 12.723,1024 2.097,1025 6.552,1026 23.403,1027 3.678,1028 14.251,1029 18.481,1030 0.283,1031 29.473,1032 13.874,1033 1.816,1034 5.914,1035 25.301,1036 2.93,1037 15.391,1038 19.977,1040 31.913,1041 14.995,1042 1.491,1043 4.618,1044 27.206,1045 2.843,1046 16.562,1047 21.513,1048 0.217,1049 34.368,1050 16.141,1051 1.204,1052 3.862,1053 29.116,1054 2.18,1055 17.72,1056 23.028,1058 36.817,1059 17.277,1060 3360,1061 5685,1062 14.622,1063 23.29,1064 33.641,1065 33.196,1066 34.425,1067 33.13,1068 33.104,1069 45.177,1070 1.72,1071 95.813,1072 31.178,1073 5.437,1074 5.333,1075 6.464,1076 5.291,1077 5.247,1078 7.633,1079 1.72,1080 18.87,1081 5.102,1082 9.42,1083 1.529,1084 1.509,1085 1.565,1086 1.506,1087 1.505,1088 2.053,1089 0.078,1090 4.355,1091 1.417,1092 4.128,1093 4.164,1094 4.102,1095 4.013,1096 5.242,1097 4.031,1098 3.779,1099 3.837,1100 3.739,1101 3.603,1102 5.064,1103 3.629,1104 3.608,1105 3.671,1106 3.459,1107 3.423,1108 4.615,1109 3.418,1110 3.348,1111 3.413,1112 3.24,1113 3.196,1114 4.55,1115 3.2,1116 3.035,1117 3.144,1118 2.902,1119 2.76,1120 4.299,1121 2.787,1122 2.874,1123 3.009,1124 2.777,1125 2.624,1126 3.938,1127 2.658,1128 2.86,1129 2.92,1130 2.504,1131 2.618,1132 3.827,1133 2.57,1134 2.586,1135 2.652,1136 2.499,1137 2.371,1138 3.477,1139 2.389,1140 0.213,1141 0.152,1142 0.314,1143 0.192,1144 0.148,1145 4.678,1146 0.211,1147 3.333,1148 0.039,1149 6.912,1150 0.529,1151 4.219,1152 0.144,1153 3.247,1154 4.633,1155 0.86,1156 11.636,1157 3.157,1158 1.901,1159 1.879,1160 1.966,1161 2.029,1162 1.11,1163 2.009,1164 1.738,1165 1.69,1166 1.871,1167 1.941,1168 1.021,1169 1.914,1170 1.575,1171 1.507,1172 1.811,1173 1.791,1174 0.809,1175 1.811,1176 1.382,1177 1.315,1178 1.537,1179 1.617,1180 0.512,1181 1.604,1182 1.023,1183 0.964,1184 1.417,1185 1.307,1186 0.469,1187 1.308,1188 0.934,1189 0.833,1190 1.261,1191 1.239,1192 0.28,1193 1.308,1194 0.927,1195 0.804,1196 1.168,1197 1.14,1199 1.154,1200 0.541,1201 0.49,1202 0.778,1203 0.859,1205 0.828,1206 3.807,1208 5.13,1209 2.398,1210 6.648,1211 4.727,1212 8.264,1213 6.862,1214 9.935,1216 3.975,1220 5.648,1224 5.844,1226 0.082,1231 22.456,1232 56.009,1233 132.754,1234 154.015,1235 158.015,1236 160.015,1237 160.015,1238 23.246,1239 6.786,1240 89.71,1241 89.71,1242 17,1243 12.334,1244 4.087,1245 3.17,1246 29.688,1247 53,1248 50,1249 0.281,1250 140.359,1251 226.29,1252 334.236,1253 6908,1255 14.113,1256 0.706,1257 0.565,1258 14.113,1259 11.291,1260 9.648,1261 0.439,1262 0.289,1263 6.261,1264 9.202,1265 6.071,1266 5.078,1267 9.648,1268 6.365,1269 8.931,1270 0.288,1271 0.152,1272 8.931,1273 4.702,1274 6.96,1275 0.17,1276 0.069,1277 6.96,1278 2.848,1279 6.347,1280 0.109,1281 0.036,1282 6.347,1283 2.104,1284 5.079,1285 0.071,1286 0.019,1287 5.079,1288 1.351,1289 0.418,1290 60.763,1291 0.262,1292 19.386,1293 0.845,1294 106,1295 314.316,1296 118.672,1297 305.978,1298 430.04,1299 288,1300 125,1301 332.927,1302 136.814,1303 334.638,1304 490.79,1305 316,1306 7.398} {0 CHEMBL406464,1 1.631,2 7.053,3 1.307,4 1.709,5 72.226,6 7.978,7 0.762,8 3.605,9 3.733,10 3.231,11 3.094,12 4.8,13 3.113,14 4.074,15 4.242,16 3.57,17 3.44,18 5.263,19 3.443,20 4.203,21 4.398,22 3.566,23 3.488,24 5.292,25 3.486,26 4.122,27 4.273,28 3.558,29 3.508,30 5.281,31 3.486,32 4.251,33 4.453,34 3.442,35 3.518,36 5.307,37 3.448,38 4.264,39 4.514,40 3.311,41 3.377,42 5.294,43 3.299,44 4.101,45 4.38,46 2.922,47 3.088,48 5.166,49 2.972,50 3.728,51 4.032,52 2.286,53 2.68,54 4.608,55 2.512,56 0.063,57 0.525,58 5.914,59 2.352,60 8.027,61 3.036,62 0.226,63 0.776,64 11,65 4.064,66 20.738,67 5.248,68 0.259,69 0.824,70 13.716,71 4.278,72 21.55,73 5.721,74 0.232,75 0.807,76 10.929,77 4.325,78 15.799,79 5.619,80 0.232,81 0.856,82 13.93,83 5.172,84 20.79,85 7.165,86 0.265,87 0.817,88 15.623,89 4.74,90 24.626,91 7.011,92 0.38,93 0.636,94 14.31,95 3.717,96 34.071,97 5.714,98 0.193,99 0.406,100 10.481,101 2.864,102 20.432,103 4.438,104 7,105 29,106 0.302,107 0.714,108 0.842,109 0.865,110 0.877,111 0.877,112 3.012,113 0.853,114 -2.64,115 -2.66,116 -2.59,119 40.6,120 1,124 1,133 2,134 2,135 1,136 2,137 1,141 1,142 1,150 1,152 1,153 1,154 1,159 1,161 1,162 8,163 2,164 3,166 2,168 2,172 3,178 2,181 1,182 1,185 2,187 4,190 2,192 2,193 2,194 4,199 1,202 2,204 1,206 1,209 1,210 1,211 1,212 1,216 2,217 2,219 2,220 2,222 1,224 1,226 1,242 1,247 1,252 1,255 405,256 13.146,257 13.146,258 13.146,259 13.146,260 13.146,261 11.283,262 8.554,263 7.913,264 13.638,265 10.357,266 10.357,267 10.357,268 10.357,269 10.357,270 7.567,271 8.314,272 3.66,273 11.061,274 3.369,275 1.148,276 0.461,277 0.336,278 0.274,279 0.274,280 3.692,283 1,284 1,285 286,286 2.236,288 34.319,289 95.161,291 66.389,295 1.014,296 15.57,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 41.5,307 134,308 4.676,309 3.314,310 6.91,311 4.217,312 3.244,313 4.633,314 0.86,315 11.624,316 3.156,317 4.052,318 2.753,319 5.906,320 3.586,321 2.645,322 3.677,324 8.26,325 2.491,326 3.541,327 2.448,328 5.204,329 3.11,330 2.187,331 2.911,333 6.265,334 2.013,335 3.456,336 2.144,337 5.029,338 2.971,339 2.054,340 2.836,342 5.913,343 1.876,344 2.965,345 1.534,346 4.365,347 2.449,348 1.492,349 2.178,351 3.913,352 1.425,353 2.684,354 1.507,355 3.835,356 2.171,357 1.225,358 1.769,360 2.743,361 1.156,362 2.5,363 1.212,364 3.476,365 2.062,366 1.15,367 1.5,369 2.467,370 1.038,371 2.355,372 1,373 3.434,374 1.949,375 1,376 1.327,378 2.327,379 0.946,380 1.983,381 0.729,382 3.046,383 1.564,384 0.633,385 0.843,386 1.334,387 0.586,388 1.04,389 -0.031,390 2.458,391 0.697,392 -0.232,393 -0.275,394 -0.425,395 -0.214,396 0.952,397 -0.248,398 2.346,399 0.527,400 -0.4,401 -0.507,402 -0.888,403 -0.369,404 0.766,405 -0.618,406 2,407 0.308,408 -0.633,409 -0.853,411 -1.687,412 -0.594,413 0.5,414 -0.733,415 2,416 0.034,417 -0.909,418 -1.118,420 -1.874,421 -0.853,422 0.35,423 -1,424 1.888,425 -0.049,426 -1,427 -1.5,429 -2.685,430 -0.947,431 0.009,432 -1.238,433 1.56,434 -0.41,435 -1.344,436 -1.812,438 -3.402,439 -1.238,440 8.833,441 0.465,442 0.38,443 0.02,444 28.25,445 1.487,446 15,447 0.789,448 13.25,449 0.697,450 11.246,451 0.592,452 19.967,453 0.624,454 17.853,455 0.94,456 5.614,457 0.295,458 3.678,459 0.194,460 0.102,462 0.34,466 1.031,467 1.371,468 0.747,469 1.046,470 1.125,471 0.868,472 1.02,473 0.935,474 0.768,475 0.903,476 0.696,477 0.821,478 1.475,479 1.003,480 0.886,481 0.775,482 1.094,483 0.737,484 0.917,485 1.142,486 0.993,487 1.178,488 0.873,489 1.121,490 0.819,491 1.214,492 1.059,493 1.269,494 0.804,495 1.23,496 0.931,497 1.122,498 1.049,499 1.132,500 0.956,501 1.112,502 0.988,503 0.758,504 1.235,505 0.939,506 1.026,507 1.089,508 1.073,509 0.866,510 1.161,511 0.939,512 1.263,513 1.046,514 3,516 2,517 1.313,518 1.046,519 0.466,520 0.375,521 0.146,522 0.078,523 0.016,524 2960,525 8531,526 2.113,527 40.6,529 4,530 1,531 2,532 3,534 3,536 1.61,537 2,538 2.864,539 1.2,541 1,542 1,543 1,545 52.179,546 1.631,547 3.852,548 4.539,549 4.664,550 4.726,551 4.726,552 2.249,553 4.037,554 4.219,555 2.941,556 502.838,557 7.22,558 4822.72,559 1,560 1,563 160,564 1.324,565 4.189,566 0.143,568 0.069,569 0.045,570 0.037,571 0.019,572 0.019,573 0.012,574 0.013,575 0.008,576 0.366,577 0.67,578 1,579 1.013,580 80.424,581 -0.152,582 -0.191,583 0.034,584 -0.047,585 -0.234,586 0.023,587 0.062,588 0.148,589 0.113,590 0.081,591 0.189,592 0.095,593 -0.27,594 0.007,595 0.06,596 0.196,597 -0.139,598 0.193,599 0.085,600 -0.046,601 -0.154,602 -0.172,603 -0.03,604 -0.203,605 0.033,606 -0.225,607 -0.151,608 -0.257,609 0.002,610 -0.249,611 -0.025,612 -0.181,613 -0.056,614 -0.185,615 -0.009,616 -0.137,617 0.072,618 0.154,619 -0.176,620 -0.043,621 0.084,622 -0.134,623 -0.152,624 -0.062,625 -0.062,626 0.019,627 -0.178,628 -0.002,629 1.422,630 2.135,631 0.789,632 11.524,633 1.012,634 1.136,635 1.409,636 1.985,637 0.673,638 3.091,639 3.401,640 3.714,641 4.043,642 4.248,643 4.304,644 4.382,645 4.443,646 4.357,647 4.304,648 4.393,649 0.654,650 255.31,651 3.091,652 4.615,653 5.476,654 6.368,655 7.255,656 8.157,657 9.054,658 9.96,659 10.861,660 11.768,661 15.6,665 1,669 1,671 3,674 2,675 5,676 3,677 1,680 4,682 16,691 1,697 1,699 32,700 16,702 21,704 34,705 13,706 11,710 3,711 4,715 1,721 11,722 2,733 1,736 13,737 5,738 3,739 6,743 5,747 0.667,748 1,754 1,755 1,756 1,759 1,760 2,762 1,777 2,781 1,785 19,786 1,789 1,791 1,801 3.1,806 1,808 9.5,809 6.017,810 4.278,811 1.91,812 3.197,813 1.478,814 1.017,815 3.052,816 9.883,817 3.401,818 4.056,819 4.737,820 5.421,821 5.97,822 6.321,823 6.759,824 7.191,825 7.389,826 7.687,827 0.8,828 29,829 6.94,831 2.891,832 7.737,833 13.106,835 10.401,837 2.237,838 42.5,839 0.001,842 117.711,843 76.885,844 100.039,846 11,849 76.885,850 128.711,851 100.039,852 8.825,853 4.592,854 60.897,855 75.614,856 59.639,857 13.67,858 82.398,860 117.711,861 176.925,862 11,865 82.398,866 46.313,869 54.669,870 71.899,871 50.357,873 117.711,874 111.039,875 76.885,878 117.711,879 21.966,880 54.92,881 16.786,882 94.254,883 117.711,884 111.039,885 76.885,887 0.567,888 0.34,889 0.206,890 0.116,891 15,892 6,893 0.088,894 3,895 1,896 1.133,897 3.106,898 144.522,899 0.133,900 15,901 80.711,904 11.932,905 4.86,906 2.129,907 1.667,908 94.254,909 8.84,910 12.411,911 3.113,914 2.669,916 49.683,917 305.636,918 29,926 32.371,927 36.362,928 0.326,929 0.77,930 0.908,931 0.933,932 0.945,933 0.945,934 4.605,935 1,936 5.451,937 2.467,938 4.078,939 4.741,940 0.908,941 6.29,942 3.963,943 5.826,944 0.633,945 7.017,946 2.327,947 3.611,948 4.559,950 7.265,951 3.479,952 7.144,953 -0.232,954 8.69,955 1.334,956 5.673,957 7.049,958 0.739,959 10.425,960 5.478,961 8.507,962 -0.4,963 10.431,964 -0.425,965 6.089,966 7.774,968 12.304,969 5.893,970 9.908,971 -0.633,972 12.217,973 -0.888,974 7.596,975 9.691,976 0.593,977 14.98,978 7.35,979 11.337,980 -0.909,981 14.035,982 -1.687,983 8.426,984 10.846,986 17.213,987 8.18,988 12.788,989 -1,990 15.876,991 -1.874,992 9.714,993 12.528,994 0.469,995 19.737,996 9.431,997 3.244,998 -1.344,999 17.736,1000 -2.685,1001 10.735,1002 13.888,1004 22.105,1005 10.443,1006 2.645,1007 11.624,1008 19.61,1009 -3.402,1010 11.941,1011 15.475,1012 0.366,1013 24.58,1014 11.62,1015 2.187,1016 8.26,1017 21.494,1018 4.633,1019 13.046,1020 16.929,1022 27,1023 12.71,1024 2.054,1025 6.265,1026 23.388,1027 3.677,1028 14.225,1029 18.479,1030 0.283,1031 29.459,1032 13.863,1033 1.492,1034 5.913,1035 25.289,1036 2.911,1037 15.367,1038 19.975,1040 31.899,1041 14.985,1042 1.225,1043 3.913,1044 27.195,1045 2.836,1046 16.539,1047 21.511,1048 0.217,1049 34.354,1050 16.132,1051 1.15,1052 2.743,1053 29.106,1054 2.178,1055 17.697,1056 23.026,1058 36.801,1059 17.268,1060 2940,1061 5096,1062 14.216,1063 21.529,1064 31.566,1065 31.464,1066 32.695,1067 31.271,1068 31.261,1069 43.35,1070 1.72,1071 89.691,1072 29.374,1073 5.388,1074 5.314,1075 6.678,1076 5.288,1077 5.244,1078 7.633,1079 1.72,1080 18.847,1081 5.101,1082 7.493,1083 1.503,1084 1.498,1085 1.557,1086 1.489,1087 1.489,1088 2.064,1089 0.082,1090 4.271,1091 1.399,1092 4.127,1093 4.163,1094 4.101,1095 4.011,1096 5.242,1097 4.03,1098 3.778,1099 3.836,1100 3.738,1101 3.601,1102 5.064,1103 3.627,1104 3.507,1105 3.571,1106 3.367,1107 3.291,1108 4.612,1109 3.296,1110 3.329,1111 3.399,1112 3.188,1113 3.171,1114 4.531,1115 3.165,1116 3.034,1117 3.144,1118 2.897,1119 2.76,1120 4.292,1121 2.786,1122 2.861,1123 2.925,1124 2.766,1125 2.624,1126 3.913,1127 2.656,1128 2.608,1129 2.686,1130 2.504,1131 2.378,1132 3.766,1133 2.394,1134 2.364,1135 2.478,1136 2.218,1137 2.183,1138 3.477,1139 2.187,1140 0.223,1141 0.158,1142 0.329,1143 0.201,1144 0.154,1145 4.676,1146 0.221,1147 3.314,1148 0.041,1149 6.91,1150 0.554,1151 4.217,1152 0.15,1153 3.244,1154 4.633,1155 0.86,1156 11.624,1157 3.156,1158 1.899,1159 1.877,1160 1.957,1161 2.026,1162 1.091,1163 2.005,1164 1.736,1165 1.687,1166 1.837,1167 1.939,1168 0.927,1169 1.91,1170 1.458,1171 1.382,1172 1.769,1173 1.717,1174 0.807,1175 1.733,1176 1.376,1177 1.308,1178 1.537,1179 1.604,1180 0.512,1181 1.599,1182 1.022,1183 0.963,1184 1.261,1185 1.307,1186 0.28,1187 1.308,1188 0.927,1189 0.833,1190 1.168,1191 1.14,1192 0.112,1193 1.154,1194 0.596,1195 0.527,1196 1.007,1197 0.951,1199 0.962,1200 0.388,1201 0.304,1202 0.699,1203 0.667,1205 0.679,1206 3.761,1208 5.069,1209 2.398,1210 6.589,1211 4.727,1212 8.213,1213 6.862,1214 9.891,1216 1.946,1220 5.626,1222 0.593,1224 5.635,1231 20.929,1232 52.179,1233 123.271,1234 145.245,1235 149.245,1236 151.245,1237 151.245,1238 20.112,1239 6.686,1240 89.71,1241 89.71,1242 17,1243 12.287,1244 4.087,1245 3.17,1246 27.568,1247 49,1248 52,1249 0.287,1250 130.767,1251 208.99,1252 310.831,1253 6075,1255 13.242,1256 0.697,1257 0.548,1258 13.242,1259 10.421,1260 9.292,1261 0.442,1262 0.284,1263 5.862,1264 8.837,1265 5.745,1266 4.774,1267 9.292,1268 5.971,1269 8.09,1270 0.279,1271 0.137,1272 8.09,1273 3.968,1274 6.846,1275 0.171,1276 0.07,1277 6.846,1278 2.785,1279 6.174,1280 0.11,1281 0.036,1282 6.174,1283 2.028,1284 4.932,1285 0.071,1286 0.019,1287 4.932,1288 1.292,1289 0.425,1290 58.72,1291 0.265,1292 18.504,1293 0.867,1294 100,1295 308.316,1296 112.008,1297 298.757,1298 419.62,1299 282,1300 119,1301 322.018,1302 130.482,1303 323.26,1304 475.98,1305 306,1306 7.495} {0 CHEMBL409450,1 1.751,2 7.773,3 5.079,4 25.793,5 87.388,6 11.131,7 0.8,8 3.634,9 3.721,10 3.534,11 3.293,12 4.932,13 3.287,14 4.075,15 4.169,16 3.982,17 3.726,18 5.283,19 3.698,20 4.328,21 4.468,22 4.053,23 3.813,24 5.521,25 3.77,26 4.366,27 4.525,28 4.054,29 3.732,30 5.653,31 3.705,32 4.311,33 4.465,34 3.959,35 3.605,36 5.693,37 3.595,38 4.189,39 4.351,40 3.868,41 3.473,42 5.672,43 3.454,44 4.023,45 4.185,46 3.624,47 3.326,48 5.332,49 3.253,50 3.752,51 3.958,52 3.471,53 3.071,54 4.851,55 2.886,56 0.136,57 0.451,58 1.902,59 2.344,60 13.458,61 2.24,62 0.137,63 0.696,64 2.448,65 3.999,66 10.753,67 4.283,68 0.253,69 0.902,70 16.246,71 6.095,72 24.834,73 6.187,74 0.358,75 0.953,76 14.165,77 5.974,78 27.775,79 6.228,80 0.439,81 0.878,82 14.171,83 5.714,84 48.814,85 4.897,86 0.459,87 0.75,88 11.626,89 5.244,90 58.58,91 5.01,92 0.324,93 0.611,94 13.002,95 4.762,96 39.023,97 4.283,98 0.242,99 0.441,100 14.24,101 4.454,102 28.744,103 4.631,104 11,105 37,106 0.317,107 0.638,108 0.749,109 0.883,110 0.905,111 0.905,112 3.149,113 0.891,114 -4.24,115 -4.18,116 -3.95,117 1,119 50,133 7,134 3,135 2,143 3,144 1,155 1,159 7,162 1,165 1,166 7,168 10,172 3,174 1,176 5,178 7,182 5,185 1,186 2,187 6,190 4,194 5,197 2,199 5,202 6,206 4,209 2,211 5,213 6,217 2,222 5,224 6,229 1,237 5,242 1,250 2,255 572,256 15.093,257 15.093,258 15.093,259 15.093,260 15.093,261 12.712,262 9.251,263 8.663,264 15.469,265 12.291,266 12.291,267 12.291,268 12.291,269 12.291,270 8.612,271 7.693,272 4.017,273 12.936,274 3.249,275 1.478,276 0.864,277 0.125,280 3.845,284 1,285 378,286 2.345,288 73.908,289 98.594,291 145.147,295 1.157,296 21.076,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47.25,307 171,308 4.779,309 3.433,310 7.061,311 4.337,312 3.362,313 4.739,314 0.894,315 12.183,316 3.277,317 4.506,318 3.137,319 6.588,320 4.005,321 3.031,322 4.459,324 10.462,325 2.951,326 3.846,327 2.82,328 5.806,329 3.378,330 2.442,331 3.366,333 7.802,334 2.286,335 3.533,336 2.514,337 5.315,338 3.047,339 2.112,340 2.94,342 6.279,343 1.943,344 3.255,345 2.169,346 4.921,347 2.758,348 1.839,349 2.559,351 5.458,352 1.672,353 3.185,354 2.041,355 4.879,356 2.695,357 1.766,358 2.46,360 5.188,361 1.552,362 3.029,363 1.64,364 4.579,365 2.507,366 1.533,367 2.289,369 4.367,370 1.481,371 2.786,372 1.535,373 3.772,374 2.294,375 1.306,376 1.917,378 2.958,379 1.288,380 2.545,381 1.321,382 3.589,383 1.983,384 1.011,385 1.438,386 2.351,387 0.977,388 2.055,389 0.823,390 3.391,391 1.513,392 0.564,393 0.827,394 1.473,395 0.516,396 1.893,397 0.604,398 2.777,399 1.202,400 0.22,401 0.361,402 0.36,403 0.215,404 1.007,405 0.148,406 2.518,407 0.588,408 -0.338,409 -0.431,411 -0.82,412 -0.198,413 0.983,414 -0.04,415 2.426,416 0.45,417 -0.366,418 -0.466,420 -0.925,421 -0.315,422 0.685,423 -0.488,424 2.274,425 0.175,426 -0.78,427 -1.114,429 -1.839,430 -0.721,431 0.62,432 -0.817,433 2.238,434 0.112,435 -0.876,436 -1.309,438 -2.107,439 -0.865,440 11.2,441 0.509,442 0.572,443 0.026,444 32.75,445 1.489,446 18.5,447 0.841,448 14.25,449 0.648,450 15.435,451 0.702,452 21.2,453 0.663,454 21.388,455 0.972,456 6.34,457 0.288,458 4.346,459 0.198,460 0.179,462 0.402,466 0.734,467 0.854,468 0.46,469 0.546,470 0.637,471 0.6,472 0.488,473 1.133,474 0.549,475 0.8,476 0.421,477 0.845,478 0.846,479 1.142,480 0.937,481 1.032,482 0.708,483 1.014,484 0.829,485 1.164,486 0.693,487 1.002,488 0.808,489 1.018,490 1.59,491 0.982,492 0.786,493 0.856,494 1.601,495 0.903,496 1.157,497 0.926,498 0.551,499 0.836,500 1.293,501 0.901,502 1.53,503 0.99,504 0.999,505 1.072,506 1.701,507 1.176,508 1.084,509 0.85,510 1.503,511 1.222,512 1.243,513 1.308,514 4,515 0.02,516 2.667,517 2.618,518 1.446,519 1.028,520 0.511,521 0.202,522 0.155,523 0.047,524 4531,525 15606,526 2.148,527 31.3,529 7,532 3,536 1.652,537 2,538 2.95,539 1.069,545 56.026,546 1.751,547 3.522,548 4.136,549 4.875,550 5,551 5,552 2.431,553 4.005,554 4.432,555 3.045,556 703.448,557 7.65,558 7321.15,560 1,563 160,564 1.437,565 4.388,566 0.16,567 0.01,568 0.072,569 0.069,570 0.04,571 0.032,572 0.019,573 0.011,574 0.015,575 0.009,576 0.438,577 0.33,578 1,579 0.797,580 97.835,581 -0.025,582 0.182,583 -0.01,584 0.154,585 -0.03,586 0.112,587 0.067,588 -0.153,589 0.001,590 -0.054,591 0.019,592 -0.073,593 -0.072,594 -0.152,595 -0.087,596 -0.142,597 -0.049,598 -0.114,599 0.099,600 -0.132,601 -0.008,602 -0.149,603 0.062,604 -0.11,605 -0.246,606 0.058,607 -0.049,608 0.034,609 -0.187,610 -0.013,611 0.111,612 0.057,613 0.064,614 0.047,615 0.167,616 0.048,617 -0.3,618 -0.055,619 -0.072,620 -0.083,621 -0.28,622 -0.183,623 -0.117,624 -0.002,625 -0.023,626 0.007,627 -0.215,628 -0.089,629 1.662,630 4.33,631 0.818,632 14.273,633 1.023,634 1.107,635 3.008,636 9.045,637 0.76,638 3.258,639 3.638,640 4.007,641 4.382,642 4.625,643 4.762,644 4.927,645 5.043,646 5.017,647 5.043,648 4.671,649 0.738,650 356.19,651 3.258,652 4.828,653 5.727,654 6.653,655 7.573,656 8.507,657 9.434,658 10.37,659 11.301,660 12.238,661 9.4,669 2,673 1,674 4,675 7,677 2,680 5,682 20,693 1,696 1,698 1,699 32,700 21,701 2,702 25,703 1,704 35,705 16,706 16,707 5,708 7,710 4,711 6,721 16,724 1,728 1,730 1,736 10,737 3,738 3,739 6,740 1,743 3,747 0.5,748 2,756 2,759 2,760 2,762 2,777 2,780 1,785 22,788 1,800 1,801 6.3,803 1,804 1,808 11,809 5.793,810 4.778,811 1.801,812 4.238,813 1.572,814 1.052,815 3.061,816 11.642,817 3.611,818 4.337,819 5.08,820 5.82,821 6.41,822 6.877,823 7.399,824 7.893,825 8.179,826 8.598,827 1,828 38,829 8.08,831 3.599,832 7.898,833 15.153,835 12.895,837 2.398,838 52.75,842 82.398,843 87.522,844 98.809,846 68.057,849 133.476,850 150.455,851 52.855,854 66.334,855 68.057,856 47.714,857 26.329,858 82.398,859 45.954,860 82.398,861 140.377,862 68.057,864 45.954,865 82.398,866 68.057,869 33.571,870 87.522,871 19.284,872 45.954,873 82.398,874 120.911,875 133.476,878 82.398,879 21.188,880 66.334,881 79.525,882 87.34,883 82.398,884 120.911,885 133.476,887 0.588,888 0.366,889 0.222,890 0.125,891 21,892 9,893 0.057,894 2,895 2,896 1.222,897 3.329,898 190.862,899 0.222,900 18,901 98.107,904 13.552,905 4.97,906 2.009,907 3.13,908 87.34,909 13.06,911 6.104,914 2.271,916 76.254,917 336.785,918 36,922 11.33,924 3.165,926 32.724,927 35.416,928 0.35,929 0.704,930 0.827,931 0.975,932 1,933 1,934 4.852,935 1.306,936 5.74,937 4.367,938 4.317,939 5.024,940 0.956,941 6.642,942 4.227,943 6.115,944 1.011,945 7.351,946 2.958,947 4.007,948 5.007,950 7.706,951 3.844,952 7.464,953 0.564,954 9.063,955 2.351,956 5.989,957 7.42,958 0.824,959 10.883,960 5.842,961 8.858,962 0.22,963 10.836,964 1.473,965 6.524,966 8.267,968 12.808,969 6.334,970 10.286,971 -0.338,972 12.649,973 0.36,974 7.993,975 10.141,976 0.705,977 15.51,978 7.805,979 11.742,980 -0.366,981 14.489,982 -0.82,983 8.908,984 11.382,986 17.775,987 8.69,988 13.218,989 -0.78,990 16.35,991 -0.925,992 10.191,993 13.048,994 0.598,995 20.325,996 9.963,997 3.362,998 -0.876,999 18.227,1000 -1.839,1001 11.269,1002 14.461,1004 22.721,1005 11.015,1006 3.031,1007 12.183,1008 20.116,1009 -2.107,1010 12.487,1011 16.046,1012 0.504,1013 25.223,1014 12.216,1015 2.442,1016 10.462,1017 22.015,1018 4.739,1019 13.633,1020 17.532,1022 27.671,1023 13.336,1024 2.112,1025 7.802,1026 23.922,1027 4.459,1028 14.831,1029 19.087,1030 0.422,1031 30.159,1032 14.513,1033 1.839,1034 6.279,1035 25.836,1036 3.366,1037 16.005,1038 20.603,1040 32.63,1041 15.662,1042 1.766,1043 5.458,1044 27.754,1045 2.94,1046 17.199,1047 22.147,1048 0.35,1049 35.116,1050 16.833,1051 1.533,1052 5.188,1053 29.677,1054 2.559,1055 18.386,1056 23.677,1058 37.598,1059 17.995,1060 4327,1061 8129,1062 16.819,1063 24.324,1064 39.142,1065 39.904,1066 40.602,1067 38.67,1068 38.371,1069 54.71,1070 1.789,1071 117.763,1072 36.318,1073 5.474,1074 5.433,1075 6.743,1076 5.375,1077 5.362,1078 7.739,1079 1.789,1080 19.889,1081 5.277,1082 9.789,1083 1.566,1084 1.596,1085 1.624,1086 1.547,1087 1.535,1088 2.188,1089 0.072,1090 4.711,1091 1.453,1092 4.201,1093 4.229,1094 6.88,1095 4.117,1096 7.529,1097 4.126,1098 4.018,1099 4.047,1100 4.163,1101 3.945,1102 6.473,1103 3.946,1104 3.484,1105 3.516,1106 3.956,1107 3.415,1108 4.979,1109 3.397,1110 3.334,1111 3.382,1112 3.361,1113 3.174,1114 4.828,1115 3.179,1116 3.05,1117 3.108,1118 3.188,1119 2.837,1120 4.294,1121 2.841,1122 2.92,1123 2.971,1124 2.989,1125 2.822,1126 4.138,1127 2.806,1128 2.756,1129 2.804,1130 2.761,1131 2.445,1132 3.77,1133 2.437,1134 2.614,1135 2.627,1136 2.655,1137 2.344,1138 3.744,1139 2.41,1140 0.191,1141 0.137,1142 0.282,1143 0.173,1144 0.134,1145 4.779,1146 0.19,1147 3.433,1148 0.036,1149 7.061,1150 0.487,1151 4.337,1152 0.131,1153 3.362,1154 4.739,1155 0.894,1156 12.183,1157 3.277,1158 1.936,1159 1.92,1160 2.022,1161 2.014,1162 1.17,1163 2.017,1164 1.926,1165 1.901,1166 1.982,1167 1.995,1168 1.132,1169 2.002,1170 1.626,1171 1.594,1172 1.68,1173 1.822,1174 0.808,1175 1.783,1176 1.251,1177 1.201,1178 1.385,1179 1.53,1180 0.405,1181 1.487,1182 1.036,1183 0.985,1184 1.202,1185 1.285,1186 0.286,1187 1.25,1188 0.95,1189 0.919,1190 1.104,1191 1.069,1192 0.232,1193 1.083,1194 0.76,1195 0.708,1196 0.989,1197 0.963,1198 0.074,1199 0.983,1200 0.697,1201 0.636,1202 0.925,1203 0.948,1205 0.964,1206 3.932,1208 5.293,1209 3.045,1210 6.858,1211 5.533,1212 8.515,1213 7.735,1214 10.223,1215 3.401,1221 10.289,1231 23.626,1232 56.026,1233 112.697,1234 132.349,1235 156,1236 160,1237 160,1238 32.763,1239 7.404,1240 81.24,1241 81.24,1242 22,1243 12.736,1244 4.459,1245 3.585,1246 29.661,1247 61,1248 65,1249 0.248,1250 148.617,1251 238.42,1252 354.385,1253 14882,1254 3.1,1255 15.267,1256 0.694,1257 0.582,1258 16.267,1259 12.808,1260 10.686,1261 0.427,1262 0.297,1263 6.608,1264 9.767,1265 6.452,1266 5.301,1267 11.263,1268 7.427,1269 9.813,1270 0.265,1271 0.161,1272 10.629,1273 5.94,1274 8.738,1275 0.162,1276 0.079,1277 9.262,1278 4.254,1279 8.079,1280 0.102,1281 0.04,1282 8.548,1283 3.173,1284 6.636,1285 0.066,1286 0.022,1287 7.099,1288 2.195,1289 0.367,1290 75.145,1291 0.244,1292 20.925,1293 0.75,1294 124,1295 372.851,1296 199.02,1297 404.636,1298 545.76,1299 374,1300 153,1301 387.657,1302 191.053,1303 405.274,1304 594.76,1305 382,1306 5.77} {0 CHEMBL411704,1 1.66,2 6.609,3 0.847,4 0.717,5 85.761,6 8.537,7 0.808,8 3.751,9 3.877,10 3.433,11 3.235,12 5.011,13 3.275,14 4.208,15 4.366,16 3.817,17 3.616,18 5.45,19 3.643,20 4.336,21 4.497,22 3.904,23 3.75,24 5.513,25 3.777,26 4.421,27 4.566,28 3.959,29 3.838,30 5.641,31 3.838,32 4.541,33 4.73,34 3.909,35 3.853,36 5.689,37 3.828,38 4.57,39 4.781,40 3.833,41 3.747,42 5.777,43 3.722,44 4.446,45 4.686,46 3.423,47 3.499,48 5.621,49 3.418,50 4.225,51 4.541,52 2.709,53 3.049,54 5.295,55 2.864,56 0.108,57 0.631,58 5.765,59 2.412,60 11.672,61 2.818,62 0.336,63 0.949,64 11.015,65 4.288,66 24.431,67 5.096,68 0.278,69 1.083,70 12.169,71 4.296,72 20.386,73 5.137,74 0.328,75 1.163,76 12.353,77 5.473,78 21.072,79 6.639,80 0.319,81 1.225,82 16.248,83 6.341,84 25.988,85 8.314,86 0.512,87 1.175,88 18.398,89 6.024,90 37.772,91 7.897,92 0.512,93 0.961,94 17.733,95 5.262,96 43.504,97 7.134,98 0.431,99 0.674,100 17.524,101 4.613,102 48.954,103 7.021,104 11,105 38,106 0.295,107 0.683,108 0.785,109 0.852,110 0.875,111 0.875,112 3.191,113 0.793,114 -2.98,115 -2.99,116 -2.88,119 41.7,123 1,133 3,134 2,135 1,136 3,137 1,141 1,143 1,150 1,151 1,152 2,153 2,154 2,159 1,161 3,162 11,163 4,164 4,168 3,172 3,178 3,181 4,182 7,184 1,185 1,187 5,190 1,192 5,193 2,194 5,199 1,202 2,204 1,205 3,206 3,208 3,209 3,211 3,215 3,216 2,217 1,219 2,220 2,222 1,226 1,228 1,231 2,232 2,233 1,236 2,240 1,255 662,256 15.853,257 15.853,258 15.853,259 15.853,260 15.853,261 13.4,262 10.638,263 9.195,264 16.44,265 12.787,266 12.787,267 12.787,268 12.787,269 12.787,270 9.053,271 9.651,272 4.244,273 13.654,274 3.51,275 1.327,276 0.751,277 0.375,278 0.243,279 0.243,280 3.889,284 1,285 331,286 2.345,288 31.685,289 137.002,291 123.979,295 0.964,296 21.281,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 50.5,307 152,308 4.922,309 3.498,310 7.295,311 4.427,312 3.467,313 5.034,314 0.86,315 13.109,316 3.333,317 4.133,318 2.851,319 6.322,320 3.657,321 2.725,322 3.794,324 9.386,325 2.539,326 4.046,327 2.744,328 6.085,329 3.573,330 2.628,331 3.693,333 8.669,334 2.478,335 3.638,336 2.329,337 5.286,338 3.158,339 2.23,340 3.111,342 6.468,343 2.063,344 3.327,345 2.1,346 5.063,347 2.839,348 1.923,349 2.654,351 5.616,352 1.759,353 3.148,354 1.803,355 4.807,356 2.689,357 1.74,358 2.398,360 5.049,361 1.644,362 2.901,363 1.428,364 4.388,365 2.377,366 1.414,367 2.095,369 3.707,370 1.358,371 2.711,372 1.367,373 3.799,374 2.172,375 1.246,376 1.808,378 2.951,379 1.151,380 2.663,381 1.199,382 3.599,383 2.136,384 1.187,385 1.739,386 2.621,387 1.124,388 2.267,389 1.073,390 3.458,391 1.792,392 0.87,393 1.179,394 2.117,395 0.797,396 1.581,397 0.67,398 2.945,399 1.24,400 0.362,401 0.43,402 0.592,403 0.316,404 1.177,405 -0.074,406 2.693,407 0.744,408 -0.191,409 -0.248,411 -0.461,412 -0.178,413 0.943,414 -0.245,415 2.419,416 0.521,417 -0.403,418 -0.509,420 -0.895,421 -0.372,422 0.839,423 -0.3,424 2.333,425 0.36,426 -0.574,427 -0.77,429 -1.251,430 -0.529,431 0.746,432 -0.582,433 2.263,434 0.302,435 -0.632,436 -0.827,438 -1.73,439 -0.59,440 10.633,441 0.462,442 0.555,443 0.024,444 36.25,445 1.576,446 19.5,447 0.848,448 16.75,449 0.728,450 13.962,451 0.607,452 23.567,453 0.655,454 25.939,455 1.128,456 7.278,457 0.316,458 3.925,459 0.171,460 0.122,462 0.414,466 1.087,467 1.39,468 0.701,469 0.99,470 1.227,471 0.794,472 0.959,473 0.78,474 0.673,475 0.718,476 0.66,477 0.669,478 1.256,479 1.118,480 0.833,481 0.796,482 0.97,483 0.723,484 0.806,485 1.151,486 0.887,487 1.149,488 0.807,489 1.065,490 0.819,491 1.244,492 0.939,493 1.228,494 0.768,495 1.131,496 1.07,497 1.056,498 1.098,499 1.136,500 0.908,501 1.131,502 1.217,503 1.085,504 1.389,505 1.225,506 1.265,507 1.331,508 0.951,509 0.786,510 1.32,511 1.073,512 1.274,513 1.237,514 3.5,516 2.444,517 2.736,518 1.819,519 0.872,520 0.617,521 0.312,522 0.082,524 4712,525 14424,526 2.141,527 36.1,529 6,531 3,532 4,536 1.67,537 2,538 2.759,539 1.908,541 1,543 1,545 59.757,546 1.66,547 3.843,548 4.419,549 4.795,550 4.927,551 4.927,552 2.114,553 4.176,554 4.496,555 2.884,556 729.617,557 7.81,558 7974.06,559 1,560 1,563 186.117,564 1.422,565 4.454,566 0.135,568 0.064,569 0.065,570 0.042,571 0.022,572 0.018,573 0.015,574 0.01,576 0.371,577 0.33,578 1,579 0.777,580 102.735,581 -0.213,582 -0.232,583 0.025,584 -0.039,585 -0.322,586 0.037,587 0.101,588 0.314,589 0.16,590 0.241,591 0.142,592 0.203,593 -0.306,594 -0.008,595 -0.024,596 0.148,597 -0.189,598 0.139,599 0.097,600 -0.061,601 -0.101,602 -0.162,604 -0.175,605 0.009,606 -0.24,607 -0.049,608 -0.225,609 0.027,610 -0.162,611 0.028,612 -0.085,613 -0.123,614 -0.185,615 0.077,616 -0.188,617 -0.099,618 -0.173,619 -0.34,620 -0.278,621 -0.122,622 -0.352,623 0.015,624 0.004,625 -0.095,626 -0.103,627 0.023,628 -0.125,629 1.472,630 2.049,631 0.826,632 14.643,633 1.019,634 1.137,635 1.754,636 3.077,637 0.688,638 3.296,639 3.664,640 4.043,641 4.443,642 4.762,643 4.934,644 5.1,645 5.231,646 5.204,647 5.176,648 4.466,649 0.679,650 307.35,651 3.296,652 4.86,653 5.759,654 6.688,655 7.616,656 8.56,657 9.499,658 10.448,659 11.392,660 12.343,661 19.4,665 2,669 1,671 4,674 3,675 6,676 4,680 5,682 21,691 2,697 1,699 36,700 21,702 26,704 39,705 15,706 14,710 4,711 7,721 14,722 1,732 1,733 1,736 13,737 7,738 4,739 8,743 7,747 0.5,748 1,754 1,755 2,756 1,759 1,760 3,762 2,777 2,781 1,785 23,786 2,791 1,801 2.8,806 1,808 11.5,809 6.833,810 5.056,811 1.871,812 4.251,813 1.566,814 1.057,815 3.112,816 11.762,817 3.624,818 4.353,819 5.112,820 5.886,821 6.575,822 7.079,823 7.621,824 8.136,825 8.449,826 8.788,827 1,828 42,829 8.391,831 3.61,832 7.797,833 15.698,835 12.814,837 2.297,838 52.833,842 105.94,843 87.87,844 134.223,846 11,849 87.87,850 116.94,851 134.223,852 10.883,854 94.223,855 104.171,856 55.086,857 4.043,858 70.627,860 105.94,861 222.093,862 11,865 105.94,866 11,869 36.699,870 118.252,871 67.142,873 105.94,874 145.223,875 87.87,878 105.94,879 21.416,880 67.741,882 143.936,883 105.94,884 145.223,885 87.87,887 0.582,888 0.362,889 0.223,890 0.134,891 21,892 9,893 0.051,894 2,895 2,896 1.211,897 3.337,898 206.511,899 0.211,900 19,901 104.042,904 13.879,905 5.158,906 2.019,907 2.271,908 143.936,909 10.349,910 16.851,914 2.696,916 65.794,917 339.033,918 36.5,926 36.691,927 40.943,928 0.321,929 0.743,930 0.855,931 0.927,932 0.953,933 0.953,934 4.862,935 1.246,936 5.765,937 3.707,938 4.344,939 5.04,940 0.908,941 6.678,942 4.225,943 6.12,944 1.187,945 7.378,946 2.951,947 4.007,948 5.007,950 7.789,951 3.841,952 7.47,953 0.87,954 9.099,955 2.621,956 6.014,957 7.444,958 0.739,959 10.998,960 5.797,961 8.867,962 0.362,963 10.884,964 2.117,965 6.538,966 8.298,968 12.998,969 6.285,970 10.3,971 -0.191,972 12.713,973 0.592,974 8.028,975 10.203,976 0.593,977 15.75,978 7.733,979 11.763,980 -0.403,981 14.573,982 -0.461,983 8.953,984 11.48,986 18.106,987 8.627,988 13.249,989 -0.574,990 16.456,991 -0.895,992 10.257,993 13.186,994 0.469,995 20.723,996 9.895,997 3.467,998 -0.632,999 18.357,1000 -1.251,1001 11.36,1002 14.656,1004 23.214,1005 10.967,1006 2.725,1007 13.109,1008 20.272,1009 -1.73,1010 12.606,1011 16.292,1012 0.366,1013 25.794,1014 12.178,1015 2.628,1016 9.386,1017 22.199,1018 5.034,1019 13.786,1020 17.846,1022 28.336,1023 13.325,1024 2.23,1025 8.669,1026 24.136,1027 3.794,1028 15.019,1029 19.462,1030 0.283,1031 30.908,1032 14.522,1033 1.923,1034 6.468,1035 26.08,1036 3.693,1037 16.231,1038 21.05,1040 33.468,1041 15.7,1042 1.74,1043 5.616,1044 28.031,1045 3.111,1046 17.464,1047 22.662,1048 0.217,1049 36.039,1050 16.897,1051 1.414,1052 5.049,1053 29.988,1054 2.654,1055 18.691,1056 24.266,1058 38.607,1059 18.088,1060 4557,1061 8084,1062 17.512,1063 24.779,1064 39.787,1065 39.99,1066 41.788,1067 39.556,1068 39.584,1069 55.868,1070 1.72,1071 120.566,1072 37.124,1073 5.584,1074 5.498,1075 6.882,1076 5.498,1077 5.467,1078 8.034,1079 1.72,1080 20.711,1081 5.279,1082 10.077,1083 1.53,1084 1.538,1085 1.607,1086 1.521,1087 1.522,1088 2.149,1089 0.066,1090 4.637,1091 1.428,1092 4.228,1093 4.264,1094 4.216,1095 4.106,1096 5.277,1097 4.129,1098 3.789,1099 3.85,1100 3.751,1101 3.606,1102 5.202,1103 3.634,1104 3.671,1105 3.714,1106 3.618,1107 3.52,1108 4.945,1109 3.538,1110 3.234,1111 3.306,1112 3.1,1113 2.988,1114 4.629,1115 3.006,1116 3.17,1117 3.25,1118 3.07,1119 2.939,1120 4.561,1121 2.957,1122 3.046,1123 3.139,1124 2.901,1125 2.837,1126 4.465,1127 2.844,1128 2.999,1129 3.096,1130 2.849,1131 2.736,1132 4.096,1133 2.756,1134 2.714,1135 2.805,1136 2.589,1137 2.448,1138 3.828,1139 2.475,1140 0.189,1141 0.135,1142 0.281,1143 0.17,1144 0.133,1145 4.922,1146 0.194,1147 3.498,1148 0.033,1149 7.295,1150 0.504,1151 4.427,1152 0.128,1153 3.467,1154 5.034,1155 0.86,1156 13.109,1157 3.333,1158 1.906,1159 1.886,1160 1.96,1161 2.094,1162 1.109,1163 2.053,1164 1.888,1165 1.841,1166 1.942,1167 2.021,1168 1.024,1169 2.002,1170 1.649,1171 1.6,1172 1.756,1173 1.848,1174 0.718,1175 1.824,1176 1.181,1177 1.107,1178 1.556,1179 1.501,1180 0.564,1181 1.518,1182 1.114,1183 1.05,1184 1.312,1185 1.369,1186 0.324,1187 1.363,1188 0.971,1189 0.884,1190 1.256,1191 1.293,1192 0.163,1193 1.298,1194 0.899,1195 0.814,1196 1.127,1197 1.13,1199 1.128,1200 0.797,1201 0.703,1202 1.02,1203 1.081,1205 1.081,1206 3.97,1208 5.323,1209 2.398,1210 6.897,1211 4.949,1212 8.576,1213 7.273,1214 10.311,1216 1.608,1220 11.789,1224 5.5,1231 24.445,1232 59.757,1233 138.343,1234 159.098,1235 172.608,1236 177.362,1237 177.362,1238 26.788,1239 7.511,1240 117.24,1241 117.24,1242 23,1243 12.833,1244 4.459,1245 3.524,1246 31.355,1247 60,1248 60,1249 0.264,1250 150.292,1251 237.05,1252 358.472,1253 16502,1255 15.974,1256 0.695,1257 0.533,1258 15.974,1259 12.263,1260 11.203,1261 0.431,1262 0.264,1263 6.722,1264 10.616,1265 6.589,1266 5.464,1267 11.203,1268 6.869,1269 10.099,1270 0.266,1271 0.129,1272 10.099,1273 4.911,1274 8.978,1275 0.16,1276 0.066,1277 8.978,1278 3.67,1279 8.326,1280 0.099,1281 0.033,1282 8.326,1283 2.766,1284 7.208,1285 0.062,1286 0.017,1287 7.208,1288 1.937,1289 0.384,1290 71.18,1291 0.239,1292 21.462,1293 0.837,1294 128,1295 394.586,1296 143.617,1297 384.647,1298 543.46,1299 362,1300 158,1301 422.672,1302 173.646,1303 427.257,1304 633.58,1305 402,1306 7.097} {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 -3.29,119 43.8,121 1,122 1,123 1,124 2,126 1,130 1,132 1,133 5,134 3,135 4,146 1,159 6,162 7,166 5,168 12,172 3,174 1,176 3,178 7,181 1,182 9,185 3,186 1,187 4,190 10,194 3,197 1,198 1,199 3,202 5,205 1,206 6,209 2,211 4,213 10,217 1,220 1,221 1,222 4,224 7,228 1,229 2,232 1,234 7,237 7,242 1,247 5,250 2,255 1194,256 18.499,257 18.499,258 18.499,259 18.499,260 18.499,261 16.626,262 20.975,263 10.547,264 18.887,265 15.261,266 15.261,267 15.261,268 15.261,269 15.261,270 12.373,271 26.694,272 4.972,273 15.985,274 3.964,275 1.681,276 0.674,277 0.307,278 0.224,279 0.224,280 4.066,281 1,284 1,285 553,286 2.449,289 286.945,292 111.001,295 1.217,296 47.636,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 61.833,307 257,308 4.68,309 3.71,310 7.072,311 4.331,312 3.355,313 4.38,314 0.86,315 12.191,316 3.274,317 4.328,318 3.357,319 6.511,320 3.955,321 2.991,322 3.939,323 0.8,324 10.125,325 2.89,326 4.047,327 3.221,328 6.393,329 3.805,330 2.836,331 3.385,333 9.659,334 2.725,335 3.67,336 2.916,337 5.686,338 3.402,339 2.441,340 2.942,342 7.384,343 2.336,344 3.508,345 2.645,346 5.27,347 3.116,348 2.189,349 2.654,351 6.377,352 2.02,353 3.267,354 2.55,355 5.016,356 2.903,357 1.979,358 2.499,360 5.617,361 1.812,362 3.087,363 2.273,364 4.948,365 2.779,366 1.829,367 2.17,369 5.502,370 1.726,371 2.963,372 2.142,373 4.719,374 2.65,375 1.673,376 2.017,378 4.653,379 1.609,380 2.86,381 1.68,382 4.184,383 2.352,384 1.414,385 1.986,386 3.565,387 1.307,388 2.572,389 1.589,390 3.922,391 2.324,392 1.365,393 1.548,394 3.106,395 1.249,396 2.384,397 1.186,398 3.589,399 2.046,400 1.071,401 1.376,402 2.745,403 1.037,404 1.581,405 0.818,406 3.418,407 1.382,408 0.444,409 0.481,411 1.154,412 0.412,413 1.393,414 0.768,415 3.084,416 0.931,417 -0.013,418 -0.016,420 -0.035,421 -0.011,422 1.159,423 0.364,424 2.696,425 0.696,426 -0.252,427 -0.275,429 -0.615,430 -0.204,431 0.876,432 0.093,433 2.523,434 0.636,435 -0.275,436 -0.387,438 -0.689,439 -0.244,440 13.281,441 0.474,442 0.895,443 0.032,444 34.5,445 1.232,446 16.5,447 0.589,448 18,449 0.643,450 25.875,451 0.924,452 30.519,453 0.636,454 28.891,455 1.032,456 6.776,457 0.242,458 6.587,459 0.235,460 0.192,462 0.444,466 0.873,467 1.115,468 0.646,469 0.899,470 0.849,471 0.837,472 0.804,473 1.014,474 0.673,475 0.896,476 0.616,477 0.841,478 0.989,479 1.074,480 0.86,481 1.032,482 0.93,483 0.985,484 0.789,485 0.975,486 0.808,487 0.994,488 0.718,489 0.917,490 1.364,491 0.904,492 0.988,493 0.883,494 1.281,495 0.91,496 1.137,497 0.949,498 0.828,499 0.899,500 1.198,501 0.92,502 1.051,503 1.153,504 0.869,505 1.036,506 1.263,507 1.043,508 1.388,509 1.055,510 1.27,511 1.081,512 1.588,513 1.181,514 6,515 0.091,516 3.778,517 3.125,518 2.316,519 1.465,520 1.157,521 0.639,522 0.39,523 0.138,524 8277,525 25573,526 2.051,527 41.7,529 14,532 3,534 3,536 1.72,537 1.867,538 3.146,539 0.917,540 1,541 1,545 77.791,546 1.621,547 3.904,548 4.911,549 5.278,550 5.361,551 5.361,552 2.594,553 4.45,554 4.78,555 3.27,556 1236.14,557 8.363,558 15412.4,560 1,562 1,563 268.078,564 1.531,565 4.711,566 0.194,567 0.011,568 0.082,569 0.06,570 0.045,571 0.031,572 0.026,573 0.016,574 0.013,575 0.007,576 0.484,577 0.5,578 1,579 0.648,580 136.101,581 -0.119,582 0.009,583 -0.008,584 0.08,585 -0.13,586 0.069,587 -0.078,588 0.11,589 0.044,590 0.064,591 0.01,592 0.087,593 -0.076,594 -0.052,595 -0.007,596 -0.055,597 -0.074,598 -0.032,599 0.259,600 -0.015,601 0.142,602 -0.019,603 0.234,604 0.058,605 -0.134,606 0.049,607 -0.067,608 0.076,609 -0.115,610 0.031,611 -0.013,612 0.031,613 0.037,614 0.055,615 -0.015,616 0.024,617 -0.01,618 -0.153,619 -0.013,620 -0.08,621 0.021,622 -0.1,623 -0.137,624 -0.097,625 -0.182,626 -0.104,627 -0.207,628 -0.244,629 2.114,630 5.769,631 0.786,632 21.786,633 1.019,634 1.118,635 2.232,636 4.982,637 0.682,638 3.466,639 3.85,640 4.174,641 4.511,642 4.779,643 4.942,644 5.094,645 5.247,646 5.342,647 5.357,648 5.48,649 0.66,650 401.87,651 3.466,652 5.043,653 5.927,654 6.845,655 7.747,656 8.672,657 9.583,658 10.511,659 11.427,660 12.357,661 2.1,664 1,675 5,680 7,682 12,686 1,696 2,697 1,698 1,699 48,700 14,701 2,702 31,704 51,705 21,706 12,707 7,708 5,709 3,710 4,711 5,712 1,716 2,717 1,719 2,721 15,722 6,723 1,724 2,728 1,729 1,731 2,733 1,736 20,737 6,738 3,739 7,740 1,743 1,747 0.75,748 5,750 1,760 4,763 1,770 2,774 1,775 1,777 3,781 1,782 1,785 28,788 3,789 3,791 1,793 2,794 1,800 1,801 10.4,802 1,803 2,804 1,806 1,808 15,809 8.693,810 6,811 2.776,812 2.696,813 1.347,814 0.919,815 5.099,816 10.458,817 3.689,818 4.304,819 4.894,820 5.485,821 6.015,822 6.353,823 6.695,824 7.089,825 7.422,826 7.706,827 1,828 52,829 10.505,831 4.798,832 8.028,833 19.44,835 16.632,837 2.528,838 70.778,841 1,842 200.109,843 100.677,844 3.124,845 39.149,846 164.195,849 100.677,850 403.452,851 3.124,852 8.396,853 6.746,854 99.541,855 120.889,856 32.425,858 200.109,859 39.149,860 200.109,861 103.802,862 164.195,863 39.149,865 164.795,866 156.825,867 42.683,869 9.87,870 79.212,871 53.868,873 200.109,874 167.319,875 139.826,878 200.109,879 35.424,880 68.378,882 203.343,883 200.109,884 167.319,885 139.826,887 0.598,888 0.361,889 0.206,890 0.113,891 24,892 12,893 0.039,894 2,895 1,896 1.091,897 3.692,898 264.84,899 0.091,900 22,901 134.606,904 19.273,905 7.408,906 3.43,908 167.319,909 8.076,914 0.759,916 128.05,917 507.254,918 39,922 12.769,923 1.273,925 -0.214,926 48.898,927 53.641,928 0.29,929 0.699,930 0.879,931 0.945,932 0.96,933 0.96,934 4.977,935 1.673,936 5.953,937 5.502,938 4.533,939 4.99,940 1.235,941 6.843,942 4.444,943 6.204,944 1.414,945 7.565,946 4.653,947 4.29,948 4.924,949 0.325,950 7.892,951 4.143,952 7.535,953 1.365,954 9.276,955 3.565,956 6.201,957 7.18,958 0.938,959 11.052,960 6.053,961 8.899,962 1.071,963 11.045,964 3.106,965 6.735,966 7.9,967 0.268,968 12.926,969 6.541,970 10.295,971 0.444,972 12.851,973 2.745,974 8.171,975 9.69,976 0.732,977 15.627,978 7.973,979 11.714,980 -0.013,981 14.684,982 1.154,983 9.061,984 10.784,985 0.188,986 17.847,987 8.828,988 13.153,989 -0.252,990 16.536,991 -0.035,992 10.323,993 12.385,994 0.57,995 20.393,996 10.077,997 3.355,998 -0.275,999 18.403,1000 -0.615,1001 11.373,1002 13.663,1003 0.125,1004 22.761,1005 11.099,1006 2.991,1007 12.191,1008 20.282,1009 -0.689,1010 12.574,1011 15.182,1012 0.438,1013 25.257,1014 12.283,1015 2.836,1016 10.125,1017 22.171,1018 4.38,1019 13.697,1020 16.55,1021 0.082,1022 27.69,1023 13.381,1024 2.441,1025 9.659,1026 24.069,1027 3.939,1028 14.881,1029 18.034,1030 0.334,1031 30.173,1032 14.544,1033 2.189,1034 7.384,1035 25.972,1036 3.385,1037 16.037,1038 19.447,1039 0.054,1040 32.636,1041 15.677,1042 1.979,1043 6.377,1044 27.882,1045 2.942,1046 17.219,1047 20.917,1048 0.252,1049 35.12,1050 16.838,1051 1.829,1052 5.617,1053 29.796,1054 2.654,1055 18.393,1056 22.355,1057 0.035,1058 37.597,1059 17.99,1060 8013,1061 14218,1062 20.115,1063 32.75,1064 47.97,1065 49.277,1066 50.464,1067 47.407,1068 47.178,1069 58.757,1070 3.32,1071 144.157,1072 44.794,1073 5.68,1074 5.71,1075 6.757,1076 5.432,1077 5.355,1078 7.38,1079 1.72,1080 19.814,1081 5.274,1082 16.158,1083 1.547,1084 1.59,1085 1.628,1086 1.529,1087 1.522,1088 1.895,1089 0.107,1090 4.65,1091 1.445,1092 4.063,1093 4.072,1094 4.071,1095 3.98,1096 7.428,1097 3.989,1098 3.892,1099 3.92,1100 3.94,1101 3.837,1102 6.492,1103 3.831,1104 3.777,1105 3.816,1106 3.692,1107 3.627,1108 6.449,1109 3.633,1110 3.456,1111 3.474,1112 3.42,1113 3.323,1114 6.444,1115 3.335,1116 3.254,1117 3.324,1118 3.285,1119 3.042,1120 4.967,1121 3.046,1122 3.148,1123 3.222,1124 3.115,1125 2.945,1126 4.699,1127 2.931,1128 2.997,1129 3.011,1130 2.961,1131 2.824,1132 4.34,1133 2.828,1134 2.88,1135 2.922,1136 2.886,1137 2.784,1138 4.3,1139 2.765,1140 0.151,1141 0.12,1142 0.228,1143 0.14,1144 0.108,1145 4.68,1146 0.141,1147 3.71,1148 0.028,1149 7.072,1150 0.393,1151 4.331,1152 0.106,1153 3.355,1154 4.38,1155 0.86,1156 12.191,1157 3.274,1158 1.991,1159 1.984,1160 2.077,1161 2.1,1162 1.426,1163 2.092,1164 1.885,1165 1.863,1166 1.993,1167 1.985,1168 1.128,1169 1.992,1170 1.734,1171 1.693,1172 1.869,1173 1.891,1174 1.029,1175 1.89,1176 1.403,1177 1.383,1178 1.587,1179 1.574,1180 0.781,1181 1.569,1182 1.226,1183 1.147,1184 1.501,1185 1.477,1186 0.712,1187 1.488,1188 1.145,1189 1.071,1190 1.472,1191 1.398,1192 0.562,1193 1.427,1194 0.911,1195 0.888,1196 1.176,1197 1.173,1198 0.38,1199 1.15,1200 0.868,1201 0.824,1202 1.124,1203 1.037,1204 0.18,1205 1.072,1206 4.143,1208 5.509,1210 7.083,1212 8.758,1214 10.486,1216 1.907,1217 6.246,1221 31.412,1222 1.726,1224 6.002,1226 -1.171,1227 1.992,1231 31.691,1232 77.791,1233 187.395,1234 235.714,1235 253.323,1236 257.323,1237 257.323,1238 75.75,1239 7.763,1240 94.14,1241 94.14,1242 24,1243 12.861,1244 3.907,1245 3.17,1246 41.985,1247 89,1248 100,1249 0.23,1250 194.325,1251 349.66,1252 465.914,1253 23209,1254 2.1,1255 19.999,1256 0.714,1257 0.571,1258 20.499,1259 15.979,1260 13.363,1261 0.431,1262 0.303,1263 8.911,1264 12.577,1265 8.688,1266 7.114,1267 13.652,1268 9.385,1269 12.703,1270 0.276,1271 0.166,1272 13.073,1273 7.619,1274 10.729,1275 0.168,1276 0.088,1277 11.087,1278 5.623,1279 9.774,1280 0.109,1281 0.046,1282 10.095,1283 4.129,1284 7.63,1285 0.065,1286 0.024,1287 7.839,1288 2.889,1289 0.344,1290 87.177,1291 0.223,1292 25.805,1293 0.687,1294 154,1295 479.769,1296 183.89,1297 486.378,1298 643.28,1299 450,1300 187,1301 441.866,1302 214.054,1303 455.072,1304 675.25,1305 428,1306 6.523} {0 CHEMBL430574,1 1.437,2 6.316,3 2.923,4 8.543,5 73.904,6 8.01,7 0.727,8 3.572,9 3.678,10 3.22,11 3.228,12 4.696,13 3.21,14 4.069,15 4.193,16 3.613,17 3.648,18 5.183,19 3.61,20 4.368,21 4.537,22 3.723,23 3.805,24 5.435,25 3.753,26 4.399,27 4.594,28 3.645,29 3.755,30 5.454,31 3.686,32 4.319,33 4.528,34 3.458,35 3.61,36 5.444,37 3.526,38 4.149,39 4.381,40 3.064,41 3.344,42 5.246,43 3.222,44 3.742,45 3.999,46 2.46,47 2.877,48 4.756,49 2.717,50 3.206,51 3.508,52 1.472,53 2.253,54 3.961,55 1.997,56 0.021,57 0.425,58 5.297,59 2.541,60 4.042,61 3.105,62 0.061,63 0.694,64 9.269,65 4.502,66 9.924,67 5.722,68 0.118,69 0.948,70 14.599,71 6.124,72 21.81,73 7.585,74 0.123,75 1,76 15.709,77 6.416,78 15.585,79 8.238,80 0.168,81 0.883,82 15.493,83 6.23,84 26.268,85 8.015,86 0.139,87 0.711,88 14.203,89 5.713,90 31.763,91 7.291,92 0.109,93 0.475,94 9.884,95 3.855,96 22.815,97 5.028,98 0.055,99 0.275,100 6.142,101 2.428,102 11.242,103 3.407,104 2,105 32,106 0.265,107 0.604,108 0.711,109 0.854,110 0.901,111 0.901,112 3.014,113 0.861,114 -3.81,115 -3.77,116 -3.58,119 51.6,121 1,133 8,134 3,135 1,143 2,147 1,159 10,162 1,164 1,166 7,168 11,172 1,176 7,178 10,182 3,186 1,187 5,190 10,194 3,197 1,199 2,202 10,206 3,211 2,213 7,217 1,222 1,224 6,237 2,255 323,256 13.223,257 13.223,258 13.223,259 13.223,260 13.223,261 11.223,262 10.416,263 7.795,264 13.298,265 10.914,266 10.914,267 10.914,268 10.914,269 10.914,270 7.868,271 14.728,272 3.732,273 11.04,274 3.517,275 1.677,276 1.097,277 0.323,278 0.065,279 0.065,280 3.718,283 1,284 1,285 271,286 1.871,288 18.282,289 55.162,290 28.225,291 38.677,292 39.464,293 47.632,295 0.964,296 13.161,299 1,300 0.83,301 1,302 0.6,304 1,305 0.78,306 40,307 120,308 4.699,309 3.675,310 6.922,311 4.282,312 3.298,313 4.622,314 1.987,315 11.699,316 3.244,317 4.204,318 3.229,319 6.292,320 3.78,321 2.796,322 3.861,323 0.324,324 9.447,325 2.752,326 3.622,327 2.829,328 5.452,329 3.301,330 2.288,331 2.932,333 6.683,334 2.305,335 3.495,336 2.214,337 5.241,338 3.077,339 2.094,340 2.796,342 6.535,343 2.056,344 3.125,345 1.812,346 4.681,347 2.625,348 1.645,349 2.404,351 4.739,352 1.609,353 2.905,354 1.522,355 4.051,356 2.416,357 1.422,358 2.097,360 3.284,361 1.413,362 2.847,363 1.424,364 3.675,365 2.388,366 1.391,367 1.983,369 3.045,370 1.384,371 2.56,372 1.209,373 3.593,374 2.072,375 1.074,376 1.583,378 2.701,379 1.071,380 2.135,381 0.915,382 3.452,383 1.673,384 0.692,385 0.971,386 1.797,387 0.677,388 1.323,389 0.522,390 2.879,391 0.956,392 -0.018,393 -0.023,394 -0.048,395 -0.018,396 1.119,397 0.178,398 2.69,399 0.807,400 -0.186,401 -0.239,402 -0.496,403 -0.184,404 0.76,405 -0.25,406 2.228,407 0.29,408 -0.737,409 -1.065,411 -1.811,412 -0.749,413 0.612,414 -0.799,415 2,416 0.121,417 -0.878,418 -1.285,420 -2.146,421 -0.872,422 0.522,423 -0.846,424 2,425 0.029,426 -1,427 -1.371,429 -2.418,430 -0.982,431 0.413,432 -0.91,433 2,434 -0.017,435 -1,436 -1.527,438 -2.716,439 -1.035,440 9.133,441 0.481,442 0.432,443 0.023,444 28.25,445 1.487,446 16,447 0.842,448 12.25,449 0.645,450 11.494,451 0.605,452 18.467,453 0.596,454 17.768,455 0.935,456 5.635,457 0.297,458 3.691,459 0.194,460 0.036,462 0.383,466 0.751,467 0.953,468 0.711,469 0.78,470 0.548,471 0.737,472 0.523,473 1.153,474 0.793,475 1.016,476 0.535,477 0.953,478 1.155,479 1.082,480 0.98,481 0.947,482 1.072,483 0.94,484 0.972,485 1.076,486 1.03,487 1.066,488 0.79,489 1.047,490 1.093,491 0.961,492 1.049,493 1.034,494 1.104,495 1.032,496 1.385,497 0.947,498 1.137,499 1.053,500 1.607,501 1.076,502 1.325,503 0.897,504 1.214,505 1.031,506 1.527,507 1.105,508 0.725,509 0.89,510 1.204,511 1.112,512 0.854,513 1.206,514 3,516 2,517 1.764,518 1.184,519 0.626,520 0.173,521 0.071,522 0.01,524 3049,525 7624,526 2.239,527 38.7,529 8,532 2,533 2,536 1.612,537 2.151,538 2.697,539 0.29,541 1,543 1,545 44.561,546 1.437,547 3.277,548 3.857,549 4.632,550 4.89,551 4.89,552 2.149,553 4.037,554 4.225,555 2.755,556 471.144,557 7.238,558 4400.71,559 1,560 1,562 1,563 153.58,564 1.211,565 4.203,566 0.136,568 0.063,569 0.05,570 0.038,571 0.025,572 0.011,573 0.009,574 0.005,576 0.337,577 1,578 1,579 0.447,580 78.717,581 -0.081,582 0.074,583 0.034,584 0.094,585 -0.06,586 0.084,587 0.155,588 -0.169,589 -0.004,590 -0.116,591 0.028,592 -0.091,593 -0.146,594 -0.076,595 -0.078,596 -0.024,597 -0.128,598 -0.041,599 -0.023,600 -0.055,601 -0.089,602 -0.137,603 0.008,604 -0.12,605 0.032,606 0.011,607 -0.05,608 -0.064,609 0.067,610 -0.062,611 -0.128,612 -0.046,613 -0.068,614 -0.029,615 -0.078,616 -0.041,617 -0.16,618 0.009,619 -0.107,620 0.011,621 -0.16,622 -0.035,623 -0.021,624 -0.018,625 -0.048,626 -0.02,627 -0.094,628 -0.037,629 1.629,630 5.025,631 0.947,632 9.895,633 0.998,634 1.106,635 2.576,636 6.636,637 0.718,638 3.135,639 3.497,640 3.85,641 4.22,642 4.511,643 4.673,644 4.836,645 4.963,646 5.017,647 5.004,648 3.96,649 0.69,650 248.3,651 3.135,652 4.691,653 5.58,654 6.494,655 7.404,656 8.327,657 9.245,658 10.17,659 11.092,660 12.019,661 6.5,668 1,669 1,674 2,675 8,677 1,680 4,682 16,699 31,700 17,701 2,702 22,704 34,705 16,706 14,707 4,708 8,710 4,711 10,716 1,719 1,721 15,722 1,724 1,728 1,731 1,733 1,736 12,737 2,738 2,739 3,743 2,747 0.25,748 1,756 1,759 1,760 2,761 1,762 1,763 1,764 1,766 1,777 1,785 19,789 1,790 1,801 3.2,804 1,808 8.833,809 5.583,810 4.056,811 1.854,812 3.462,813 1.473,814 1.104,815 2.184,816 10.787,817 3.466,818 4.139,819 4.811,820 5.511,821 6.107,822 6.515,823 7.01,824 7.456,825 7.739,826 8.058,827 1,828 35,829 7.019,831 3.113,832 7.667,833 13.538,835 11.708,837 2.167,838 41.167,839 0.001,842 117.711,843 99.651,844 34.796,846 25.145,849 99.651,850 142.856,851 34.796,853 20.545,854 75.81,855 29.85,856 28.486,857 4.901,858 117.711,860 117.711,861 134.447,862 25.145,865 117.711,866 25.145,869 37.331,870 97.116,873 117.711,874 59.941,875 99.651,878 117.711,879 23.841,880 75.81,881 34.796,882 25.145,883 117.711,884 59.941,885 99.651,887 0.585,888 0.353,889 0.215,890 0.126,891 19,892 7,895 3,896 1.333,897 3.103,898 158.112,899 0.333,900 18,901 80.711,904 10.679,905 3.887,906 1.563,907 2.21,908 43.156,909 16.021,911 3.441,914 4.061,916 34.796,917 277.303,918 31,922 12.025,925 0.038,926 30.949,927 34.282,928 0.29,929 0.661,930 0.779,931 0.935,932 0.987,933 0.987,934 4.7,935 1.074,936 5.572,937 3.045,938 4.174,939 4.824,940 2.076,941 6.444,942 4.149,943 5.932,944 0.692,945 7.157,946 2.701,947 3.761,948 4.677,949 1.593,950 7.434,951 3.73,952 7.261,953 -0.018,954 8.847,955 1.797,956 5.808,957 7.121,958 3.1,959 10.614,960 5.753,961 8.63,962 -0.186,963 10.6,964 -0.048,965 6.256,966 7.853,967 3.168,968 12.478,969 6.187,970 10.035,971 -0.737,972 12.395,973 -0.496,974 7.763,975 9.75,976 4.312,977 15.164,978 7.676,979 11.466,980 -0.878,981 14.219,982 -1.811,983 8.616,984 10.905,985 4.654,986 17.377,987 8.51,988 12.918,989 -1,990 16.064,991 -2.146,992 9.91,993 12.577,994 5.601,995 19.903,996 9.788,997 3.298,998 -1,999 17.924,1000 -2.418,1001 10.948,1002 13.932,1003 6.091,1004 22.255,1005 10.807,1006 2.796,1007 11.699,1008 19.797,1009 -2.716,1010 12.163,1011 15.51,1012 6.927,1013 24.729,1014 12.006,1015 2.288,1016 9.447,1017 21.679,1018 4.622,1019 13.282,1020 16.957,1021 7.5,1022 27.139,1023 13.107,1024 2.094,1025 6.683,1026 23.569,1027 3.861,1028 14.472,1029 18.499,1030 8.273,1031 29.596,1032 14.279,1033 1.645,1034 6.535,1035 25.465,1036 2.932,1037 15.627,1038 19.988,1039 8.894,1040 32.031,1041 15.417,1042 1.422,1043 4.739,1044 27.367,1045 2.796,1046 16.81,1047 21.517,1048 9.631,1049 34.485,1050 16.583,1051 1.391,1052 3.284,1053 29.272,1054 2.404,1055 17.981,1056 23.025,1057 10.279,1058 36.931,1059 17.738,1060 2860,1061 4600,1062 15.315,1063 22.273,1064 33.816,1065 34.557,1066 34.354,1067 33.394,1068 33.401,1069 46.5,1070 4.622,1071 99.86,1072 33.018,1073 5.57,1074 5.675,1075 6.604,1076 5.328,1077 5.298,1078 7.622,1079 3.497,1080 19.245,1081 5.244,1082 4.949,1083 1.537,1084 1.571,1085 1.562,1086 1.518,1087 1.518,1088 2.114,1089 0.21,1090 4.539,1091 1.501,1092 4.17,1093 4.2,1094 4.136,1095 4.093,1096 7.429,1097 4.1,1098 3.857,1099 3.888,1100 3.799,1101 3.794,1102 4.976,1103 3.79,1104 3.515,1105 3.55,1106 3.433,1107 3.38,1108 4.702,1109 3.382,1110 3.319,1111 3.376,1112 3.241,1113 3.114,1114 4.249,1115 3.143,1116 2.968,1117 3.039,1118 2.849,1119 2.823,1120 3.946,1121 2.821,1122 2.821,1123 2.882,1124 2.695,1125 2.695,1126 3.767,1127 2.686,1128 2.792,1129 2.853,1130 2.662,1131 2.691,1132 3.572,1133 2.678,1134 2.469,1135 2.54,1136 2.288,1137 2.238,1138 3.374,1139 2.244,1140 0.214,1141 0.167,1142 0.315,1143 0.195,1144 0.15,1145 4.699,1146 0.21,1147 3.675,1148 0.09,1149 6.922,1150 0.532,1151 4.282,1152 0.147,1153 3.298,1154 4.622,1155 1.987,1156 11.699,1157 3.244,1158 1.938,1159 1.916,1160 2.034,1161 2.03,1162 1.198,1163 2.031,1164 1.913,1165 1.887,1166 2.008,1167 1.985,1168 1.118,1169 1.996,1170 1.596,1171 1.558,1172 1.737,1173 1.788,1174 0.909,1175 1.77,1176 1.241,1177 1.191,1178 1.407,1179 1.477,1180 0.465,1181 1.462,1182 1,1183 0.945,1184 1.198,1185 1.201,1186 0.26,1187 1.209,1188 0.852,1189 0.794,1190 1.116,1191 1.022,1192 0.198,1193 1.058,1194 0.81,1195 0.752,1196 1.087,1197 0.984,1198 0.169,1199 1.024,1200 0.466,1201 0.401,1202 0.803,1203 0.718,1205 0.753,1206 3.807,1208 5.153,1209 2.398,1210 6.701,1211 4.949,1212 8.34,1213 7.222,1214 10.029,1222 0.411,1223 2.961,1231 21.392,1232 44.561,1233 101.58,1234 119.58,1235 143.58,1236 151.58,1237 151.58,1238 21.672,1239 7.324,1240 44.89,1241 44.89,1242 24,1243 12.524,1244 4.17,1245 3.322,1246 24.118,1247 47,1248 37,1249 0.276,1250 128.84,1251 212.89,1252 306.13,1253 13870,1255 12.82,1256 0.675,1257 0.539,1258 12.82,1259 10.234,1260 9.326,1261 0.424,1262 0.287,1263 6.269,1264 9.133,1265 6.144,1266 5.06,1267 9.326,1268 6.316,1269 8.557,1270 0.267,1271 0.15,1272 8.557,1273 4.795,1274 7.54,1275 0.164,1276 0.079,1277 7.54,1278 3.621,1279 6.947,1280 0.104,1281 0.041,1282 6.947,1283 2.779,1284 6.059,1285 0.067,1286 0.022,1287 6.059,1288 2.01,1289 0.4,1290 57.353,1291 0.256,1292 18.131,1293 0.87,1294 108,1295 272.401,1296 114.322,1297 272.071,1298 384.6,1299 256,1300 132,1301 294.143,1302 138.157,1303 300.895,1304 445.44,1305 286,1306 5} {0 CHEMBL445348,1 1.667,2 8.64,3 3.451,4 11.907,5 92.848,6 8.573,7 0.714,8 3.812,9 3.917,10 3.485,11 3.376,12 5.112,13 3.391,14 4.266,15 4.389,16 3.874,17 3.784,18 5.508,19 3.781,20 4.513,21 4.669,22 3.932,23 3.876,24 5.743,25 3.869,26 4.568,27 4.747,28 3.959,29 3.869,30 5.833,31 3.857,32 4.553,33 4.716,34 3.911,35 3.779,36 5.917,37 3.79,38 4.503,39 4.688,40 3.812,41 3.716,42 5.898,43 3.703,44 4.388,45 4.564,46 3.64,47 3.58,48 5.718,49 3.567,50 4.268,51 4.48,52 3.303,53 3.379,54 5.611,55 3.303,56 0.157,57 0.598,58 6.061,59 3.071,60 15.649,61 3.335,62 0.207,63 0.931,64 10.125,65 5.318,66 18.212,67 6.33,68 0.38,69 1.144,70 15.384,71 6.372,72 47.754,73 7.128,74 0.394,75 1.184,76 17.367,77 7.031,78 34.524,79 8.68,80 0.514,81 1.117,82 17.56,83 6.601,84 63.381,85 7.189,86 0.563,87 1.042,88 17.862,89 6.583,90 73.663,91 7.859,92 0.458,93 0.928,94 15.481,95 5.673,96 56.727,97 6.284,98 0.491,99 0.791,100 15.076,101 5.376,102 63.782,103 6.704,104 22,105 41,106 0.29,107 0.674,108 0.774,109 0.879,110 0.897,111 0.897,112 3.269,113 0.82,114 -3.16,115 -3.15,116 -3.03,119 46.2,120 1,133 7,134 3,135 2,143 3,144 1,147 1,155 1,159 7,162 2,164 1,165 1,166 10,168 7,172 3,174 1,176 8,178 6,182 7,185 1,186 2,187 5,190 6,194 7,197 2,198 1,199 4,202 7,206 4,209 2,210 2,211 5,213 6,217 2,220 2,222 6,224 5,229 1,232 3,234 4,237 4,241 1,242 2,247 2,250 3,255 885,256 16.955,257 16.955,258 16.955,259 16.955,260 16.955,261 14.419,262 14.447,263 9.819,264 17.188,265 13.791,266 13.791,267 13.791,268 13.791,269 13.791,270 9.835,271 16.776,272 4.583,273 14.149,274 3.618,275 1.405,276 0.831,277 0.224,278 0.122,279 0.122,280 3.964,283 1,284 1,285 469,286 3.082,288 91.245,289 119.002,291 176.439,295 1.334,296 29.064,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 55,307 216,308 4.781,309 3.536,310 7.063,311 4.34,312 3.364,313 4.741,314 1.907,315 12.193,316 3.282,317 4.508,318 3.428,319 6.591,320 4.013,321 3.036,322 4.461,323 0.894,324 10.477,325 2.966,326 3.893,327 3.115,328 5.81,329 3.521,330 2.548,331 3.369,332 0.149,333 7.856,334 2.474,335 3.651,336 2.535,337 5.406,338 3.23,339 2.245,340 3.054,342 6.978,343 2.207,344 3.424,345 2.514,346 5.238,347 2.983,348 2.005,349 2.719,351 5.995,352 1.956,353 3.28,354 2.133,355 4.869,356 2.813,357 1.828,358 2.537,360 5.164,361 1.792,362 3.103,363 2.002,364 4.627,365 2.629,366 1.681,367 2.349,369 4.541,370 1.58,371 3.02,372 1.643,373 4.389,374 2.507,375 1.531,376 2.25,378 4.315,379 1.49,380 2.788,381 1.536,382 3.767,383 2.295,384 1.303,385 1.922,386 2.954,387 1.292,388 2.543,389 1.304,390 3.589,391 1.977,392 1.003,393 1.433,394 2.33,395 0.975,396 2.049,397 0.774,398 3.383,399 1.523,400 0.556,401 0.816,402 1.456,403 0.536,404 1.893,405 0.689,406 2.81,407 1.204,408 0.222,409 0.363,411 0.376,412 0.218,413 1.298,414 0.481,415 2.664,416 0.93,417 -0.03,418 -0.038,420 -0.077,421 -0.029,422 0.87,423 0.162,424 2.46,425 0.459,426 -0.48,427 -0.584,429 -1.217,430 -0.441,431 0.735,432 -0.152,433 2.372,434 0.249,435 -0.718,436 -1.023,438 -1.736,439 -0.69,440 11.6,441 0.464,442 0.678,443 0.027,444 37,445 1.48,446 20.5,447 0.82,448 16.5,449 0.66,450 16.556,451 0.662,452 25.6,453 0.656,454 27.865,455 1.115,456 7.506,457 0.3,458 4.574,459 0.183,460 0.129,462 0.431,466 0.743,467 1.015,468 0.699,469 0.783,470 0.61,471 0.73,472 0.471,473 1.208,474 0.648,475 1.018,476 0.436,477 0.908,478 1.053,479 1.087,480 1.003,481 0.974,482 0.953,483 0.967,484 0.744,485 1.108,486 0.833,487 1.06,488 0.659,489 0.979,490 1.329,491 1.048,492 1.056,493 1.027,494 1.324,495 0.988,496 0.986,497 0.936,498 0.947,499 0.957,500 1.02,501 0.944,502 1.348,503 1.036,504 1.181,505 1.054,506 1.344,507 1.074,508 0.926,509 0.981,510 1.22,511 1.124,512 0.928,513 1.219,514 5,515 0.046,516 2.667,517 2.743,518 1.566,519 1.146,520 0.674,521 0.451,522 0.167,523 0.161,524 6392,525 20416,526 2.105,527 35.9,529 7,532 4,533 3,536 1.687,537 1.948,538 3.113,539 1.776,541 1,543 1,545 65.014,546 1.667,547 3.88,548 4.454,549 5.061,550 5.163,551 5.163,552 2.531,553 4.484,554 4.613,555 3.247,556 974.072,557 8.016,558 11263.1,559 1,560 1,561 1,562 1,563 206.131,564 1.473,565 4.565,566 0.179,567 0.006,568 0.065,569 0.065,570 0.037,571 0.029,572 0.019,573 0.016,574 0.009,575 0.012,576 0.437,577 0.33,578 1,579 1.086,580 117.528,581 -0.048,582 0.107,583 -0.003,584 0.158,585 -0.045,586 0.106,587 0.126,588 -0.146,589 0.094,590 -0.044,591 0.064,592 -0.003,593 -0.183,594 -0.039,595 -0.141,596 -0.029,597 -0.152,598 -0.064,599 0.07,600 -0.092,601 0.087,602 -0.099,603 0.068,604 -0.02,605 -0.154,606 -0.048,607 -0.097,608 -0.086,609 -0.152,610 -0.082,611 0.087,612 0.034,613 0.052,614 0.01,615 0.078,616 0.022,617 -0.187,618 -0.056,619 -0.193,620 -0.103,621 -0.174,622 -0.141,623 0.104,624 -0.053,625 -0.158,626 -0.141,627 0.103,628 -0.197,629 1.86,630 4.439,631 0.72,632 19.248,633 1.021,634 1.12,635 1.927,636 3.712,637 0.697,638 3.367,639 3.738,640 4.078,641 4.454,642 4.7,643 4.86,644 5.063,645 5.215,646 5.209,647 5.263,648 5.308,649 0.689,650 334.36,651 3.367,652 4.934,653 5.82,654 6.742,655 7.653,656 8.584,657 9.506,658 10.44,659 11.368,660 12.304,661 10.3,668 1,669 2,673 1,674 4,675 7,677 2,680 5,682 20,693 1,696 1,699 39,700 22,701 2,702 28,704 42,705 18,706 16,707 5,708 7,710 4,711 6,715 1,721 17,722 1,724 2,728 2,730 1,731 1,732 1,733 1,736 14,737 5,738 4,739 7,743 4,747 0.5,748 3,756 2,759 2,760 2,762 2,766 1,777 2,781 1,785 25,788 1,790 1,801 7.7,803 1,804 2,808 12.833,809 7.317,810 5.444,811 2.182,812 4.308,813 1.561,814 1.023,815 3.641,816 11.99,817 3.714,818 4.413,819 5.116,820 5.859,821 6.454,822 6.936,823 7.48,824 7.995,825 8.289,826 8.713,827 0.833,828 42,829 9.2,831 4.076,832 8.027,833 17.042,835 14.248,837 2.527,838 63.167,842 117.711,843 100.754,844 70.865,846 93.202,849 100.754,850 210.913,851 70.865,852 8.825,853 18.011,854 66.334,855 97.906,856 47.416,857 26.329,858 117.711,860 117.711,861 171.619,862 93.202,865 117.711,866 93.202,869 60.407,870 91.928,871 19.284,873 117.711,874 164.067,875 100.754,878 117.711,879 25.595,880 75.159,881 51.582,882 112.485,883 117.711,884 164.067,885 100.754,887 0.585,888 0.348,889 0.212,890 0.119,891 22,892 10,893 0.071,894 3,895 2,896 1.222,897 3.57,898 223.824,899 0.222,900 18,901 116.096,904 15.572,905 5.846,906 2.521,907 2.774,908 130.496,909 12.513,911 6.031,914 1.619,916 94.265,917 382.532,918 40,922 22.735,924 3.157,925 -0.193,926 39.807,927 43.697,928 0.315,929 0.734,930 0.843,931 0.958,932 0.977,933 0.977,934 4.956,935 1.531,936 5.832,937 4.541,938 4.419,939 5.1,940 2.157,941 6.72,942 4.368,943 6.212,944 1.303,945 7.433,946 4.315,947 4.111,948 5.085,949 1.593,950 7.761,951 4.04,952 7.555,953 1.003,954 9.136,955 2.954,956 6.075,957 7.464,958 2.972,959 10.93,960 5.975,961 8.94,962 0.556,963 10.899,964 2.33,965 6.594,966 8.303,967 3.032,968 12.837,969 6.471,970 10.36,971 0.222,972 12.702,973 1.456,974 8.059,975 10.165,976 4.055,977 15.536,978 7.912,979 11.806,980 -0.03,981 14.535,982 0.376,983 8.958,984 11.399,985 4.409,986 17.792,987 8.786,988 13.273,989 -0.48,990 16.389,991 -0.077,992 10.237,993 13.061,994 5.255,995 20.34,996 10.043,997 3.364,998 -0.718,999 18.26,1000 -1.217,1001 11.306,1002 14.471,1003 5.75,1004 22.734,1005 11.084,1006 3.036,1007 12.193,1008 20.144,1009 -1.736,1010 12.521,1011 16.054,1012 6.502,1013 25.235,1014 12.277,1015 2.548,1016 10.477,1017 22.039,1018 4.741,1019 13.66,1020 17.539,1021 7.068,1022 27.683,1023 13.391,1024 2.245,1025 7.856,1026 23.942,1027 4.461,1028 14.856,1029 19.093,1030 7.771,1031 30.172,1032 14.563,1033 2.005,1034 6.978,1035 25.853,1036 3.369,1037 16.027,1038 20.61,1039 8.374,1040 32.642,1041 15.709,1042 1.828,1043 5.995,1044 27.769,1045 3.054,1046 17.22,1047 22.154,1048 9.051,1049 35.13,1050 16.878,1051 1.681,1052 5.164,1053 29.69,1054 2.719,1055 18.405,1056 23.684,1057 9.674,1058 37.611,1059 18.038,1060 6179,1061 11144,1062 18.611,1063 27.193,1064 43.578,1065 44.747,1066 45.033,1067 42.668,1068 42.64,1069 60.028,1070 5.901,1071 129.273,1072 41.536,1073 5.509,1074 5.536,1075 6.745,1076 5.379,1077 5.364,1078 7.741,1079 3.306,1080 19.898,1081 5.282,1082 12.609,1083 1.556,1084 1.598,1085 1.608,1086 1.524,1087 1.523,1088 2.144,1089 0.211,1090 4.617,1091 1.483,1092 4.204,1093 4.233,1094 4.178,1095 4.114,1096 7.529,1097 4.126,1098 4.022,1099 4.054,1100 3.985,1101 3.938,1102 7.43,1103 3.945,1104 3.618,1105 3.664,1106 3.549,1107 3.427,1108 6.473,1109 3.447,1110 3.43,1111 3.474,1112 3.352,1113 3.272,1114 4.979,1115 3.286,1116 3.295,1117 3.346,1118 3.207,1119 3.105,1120 4.828,1121 3.12,1122 3.051,1123 3.108,1124 2.989,1125 2.831,1126 4.305,1127 2.84,1128 2.922,1129 2.985,1130 2.801,1131 2.797,1132 4.183,1133 2.791,1134 2.756,1135 2.805,1136 2.656,1137 2.387,1138 3.809,1139 2.437,1140 0.171,1141 0.126,1142 0.252,1143 0.155,1144 0.12,1145 4.781,1146 0.169,1147 3.536,1148 0.068,1149 7.063,1150 0.435,1151 4.34,1152 0.117,1153 3.364,1154 4.741,1155 1.907,1156 12.193,1157 3.282,1158 1.946,1159 1.925,1160 2.022,1161 2.037,1162 1.178,1163 2.033,1164 1.926,1165 1.902,1166 2.02,1167 2.011,1168 1.133,1169 2.015,1170 1.629,1171 1.596,1172 1.71,1173 1.823,1174 0.813,1175 1.784,1176 1.46,1177 1.407,1178 1.685,1179 1.725,1180 0.717,1181 1.712,1182 1.238,1183 1.189,1184 1.379,1185 1.516,1186 0.405,1187 1.478,1188 1.036,1189 0.982,1190 1.202,1191 1.287,1192 0.287,1193 1.25,1194 0.962,1195 0.908,1196 1.157,1197 1.163,1198 0.262,1199 1.166,1200 0.778,1201 0.712,1202 1.072,1203 1.022,1204 0.105,1205 1.048,1206 4.043,1208 5.398,1209 3.045,1210 6.948,1211 5.533,1212 8.592,1213 7.735,1214 10.289,1216 1.422,1221 10.399,1223 2.71,1231 26.864,1232 65.014,1233 151.318,1234 173.724,1235 197.376,1236 201.376,1237 201.376,1238 44.225,1239 7.682,1240 110.34,1241 110.34,1242 22,1243 12.804,1244 4.524,1245 3.7,1246 35.658,1247 77,1248 85,1249 0.229,1250 163.751,1251 270.89,1252 391.312,1253 21217,1255 17.552,1256 0.702,1257 0.53,1258 17.552,1259 13.252,1260 12.08,1261 0.431,1262 0.273,1263 7.544,1264 11.585,1265 7.379,1266 6.11,1267 12.08,1268 7.649,1269 11.203,1270 0.273,1271 0.141,1272 11.203,1273 5.776,1274 9.396,1275 0.162,1276 0.071,1277 9.396,1278 4.119,1279 8.783,1280 0.103,1281 0.037,1282 8.783,1283 3.115,1284 7.167,1285 0.066,1286 0.019,1287 7.167,1288 2.088,1289 0.344,1290 76.123,1291 0.232,1292 23.576,1293 0.675,1294 138,1295 436.264,1296 151.417,1297 426.076,1298 579.88,1299 394,1300 168,1301 435.814,1302 180.783,1303 439.955,1304 641.55,1305 414,1306 4.824} {0 CHEMBL44541,1 1.641,2 6.412,3 2.815,4 7.921,5 70.842,6 11.121,7 0.842,8 3.408,9 3.527,10 3.318,11 3.05,12 4.618,13 3.034,14 3.842,15 3.976,16 3.756,17 3.445,18 5.066,19 3.401,20 4.014,21 4.187,22 3.737,23 3.515,24 5.11,25 3.431,26 3.95,27 4.129,28 3.629,29 3.413,30 5.036,31 3.313,32 3.9,33 4.118,34 3.698,35 3.278,36 4.952,37 3.166,38 3.74,39 3.963,40 3.456,41 3.054,42 4.875,43 2.933,44 3.484,45 3.733,46 3.14,47 2.761,48 4.527,49 2.59,50 3.056,51 3.328,52 3.008,53 2.207,54 4.143,55 2.011,56 0.05,57 0.415,58 1.59,59 1.813,60 6.619,61 1.928,62 0.118,63 0.639,64 3.202,65 3.193,66 12.483,67 3.691,68 0.141,69 0.709,70 15.268,71 4.563,72 13.926,73 4.84,74 0.127,75 0.664,76 9.65,77 4.189,78 12.522,79 4.72,80 0.135,81 0.605,82 10.008,83 4.249,84 14.411,85 5.019,86 0.182,87 0.521,88 17.611,89 3.916,90 16.624,91 4.263,92 0.125,93 0.385,94 11.336,95 3.055,96 14.154,97 3.224,98 0.117,99 0.223,100 12.705,101 2.272,102 12.132,103 2.503,104 5,105 27,106 0.317,107 0.684,108 0.835,109 0.894,110 0.894,111 0.894,112 2.91,113 0.93,114 -3.52,115 -3.49,116 -3.34,117 1,119 46.2,133 4,134 2,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 3,161 1,162 3,163 2,164 2,166 3,168 6,172 1,176 2,178 6,182 2,185 1,187 3,190 3,192 2,194 2,199 2,202 1,204 1,206 3,209 1,210 1,211 1,212 1,213 2,215 1,217 1,222 1,226 1,229 2,234 2,239 2,255 291,256 11.516,257 11.516,258 11.516,259 11.516,260 11.516,261 9.621,262 4.806,263 6.746,264 11.898,265 9.392,266 9.392,267 9.392,268 9.392,269 9.392,270 6.597,271 3.176,272 3.223,273 10.068,274 3.06,275 1.164,276 0.385,277 0.077,278 0.077,279 0.077,280 3.586,284 1,285 236,286 1.732,288 30.129,289 83.008,291 56.95,295 1.024,296 10.446,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 35.75,307 109,308 4.61,309 3.205,310 6.72,311 4.152,312 3.172,313 4.555,315 10.95,316 3.108,317 4.041,318 2.812,319 5.793,320 3.558,321 2.618,322 3.674,324 7.959,325 2.462,326 3.621,327 2.547,328 5.043,329 3.123,330 2.232,331 3.051,333 6.015,334 1.988,335 3.413,336 2.128,337 4.954,338 2.921,339 2.017,340 2.766,342 5.75,343 1.702,344 2.961,345 1.506,346 4.48,347 2.466,348 1.487,349 2.175,351 4.211,352 1.452,353 2.698,354 1.248,355 3.935,356 2.179,357 1.221,358 1.79,360 3.016,361 1.161,362 2.555,363 1.095,364 3.472,365 1.994,366 1.063,367 1.582,369 2.503,370 0.978,371 2.054,372 0.68,373 3.224,374 1.523,375 0.582,376 0.848,378 1.442,379 0.527,380 1.047,381 0.137,382 2.477,383 0.561,384 -0.308,385 -0.397,386 -0.724,387 -0.183,388 0.915,389 -0.248,390 2.375,391 0.466,392 -0.417,393 -0.522,394 -0.948,395 -0.373,396 0.687,397 -0.679,398 2,399 0.2,400 -0.748,401 -1.015,402 -2.107,403 -0.657,404 0.567,405 -0.875,406 2,407 0.039,408 -0.913,409 -1.344,411 -2.721,412 -0.861,413 0.08,414 -1.072,415 1.862,416 -0.385,417 -1.246,418 -1.688,420 -3.125,421 -1.012,422 -0.064,423 -1.271,424 1.53,425 -0.553,426 -1.384,427 -1.864,429 -3.41,430 -1.249,431 -0.112,432 -1.506,433 1.113,434 -0.635,435 -1.53,436 -2.163,438 -4.592,439 -1.454,440 8.933,441 0.525,442 0.435,443 0.026,444 25.75,445 1.515,446 14.5,447 0.853,448 11.25,449 0.662,450 10.624,451 0.625,452 16.267,453 0.626,454 14.134,455 0.831,456 4.892,457 0.288,458 3.345,459 0.197,460 0.194,462 0.336,466 1.044,467 1.073,468 0.46,469 0.594,470 1.198,471 0.636,472 0.634,473 0.883,474 0.563,475 0.7,476 0.467,477 0.777,478 1.159,479 1.008,480 1.028,481 0.985,482 0.927,483 0.989,484 0.943,485 1.074,486 0.828,487 1.018,488 0.966,489 1.132,490 0.843,491 1.106,492 0.752,493 0.916,494 0.864,495 0.965,496 0.984,497 1.001,498 1.306,499 1.22,500 1.07,501 1.126,502 1.473,503 0.94,504 1.264,505 1.036,506 1.575,507 1.101,508 0.876,509 1.077,510 1.767,511 1.533,512 1.152,513 1.196,514 3.5,516 2,517 1.132,518 0.881,519 0.431,520 0.257,521 0.125,522 0.041,524 2274,525 7587,526 2.127,527 34.6,529 4,530 1,531 1,532 3,536 1.573,537 2,538 2.768,539 1.251,543 1,545 42.663,546 1.641,547 3.536,548 4.316,549 4.624,550 4.624,551 4.624,552 2.184,553 3.97,554 4.063,555 2.839,556 386.106,557 6.883,558 3400.3,559 1,560 1,562 1,563 122.211,564 1.379,565 4.023,566 0.184,568 0.074,569 0.045,570 0.042,571 0.024,572 0.018,573 0.016,574 0.01,576 0.414,577 0.67,578 1,579 0.604,580 68.767,581 -0.224,582 0.006,583 -0.009,584 0.082,585 -0.335,586 0.084,587 0.186,588 0.16,589 0.01,590 0.048,591 0.256,592 0.006,593 -0.26,594 -0.028,595 -0.11,596 -0.067,597 -0.142,598 -0.085,599 -0.093,600 -0.111,601 -0.061,602 -0.145,603 -0.156,604 -0.224,605 0.064,606 -0.187,607 0.084,608 0.033,609 0.046,610 0.046,611 0.143,612 -0.049,613 -0.083,614 -0.149,615 0.082,616 -0.104,617 -0.325,618 -0.004,619 -0.051,620 0.065,621 -0.294,622 -0.028,623 0.382,624 -0.238,625 0.045,626 -0.166,627 0.332,628 0.05,629 1.383,630 1.597,631 0.882,632 9.066,633 1.011,634 1.118,635 2.289,636 5.241,637 0.756,638 2.996,639 3.332,640 3.611,641 3.912,642 4.127,643 4.159,644 4.205,645 4.29,646 4.127,647 4.06,648 4.103,649 0.719,650 289.15,651 2.996,652 4.533,653 5.389,654 6.279,655 7.157,656 8.052,657 8.939,658 9.837,659 10.728,660 11.627,661 15.4,665 1,669 1,671 2,674 2,675 6,676 2,677 1,680 4,682 16,691 1,698 1,699 26,700 16,701 1,702 19,703 1,704 28,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 9,737 3,738 3,739 5,740 1,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,780 1,785 17,786 1,800 1,808 8.5,809 4.626,810 3.667,811 1.391,812 3.174,813 1.492,814 1.069,815 2.518,816 9.63,817 3.332,818 4.021,819 4.681,820 5.351,821 5.915,822 6.256,823 6.675,824 7.12,825 7.264,826 7.566,827 1,828 25,829 6.198,831 2.621,832 7.691,833 11.78,835 9.628,837 2.191,838 37.25,839 0.002,842 70.627,843 71.613,844 129.208,849 117.568,850 70.627,851 83.254,854 79.85,855 45.342,856 37.403,857 15.814,858 47.084,859 45.954,860 70.627,861 154.867,864 45.954,865 70.627,869 30.489,870 90.807,871 33.571,872 45.954,873 70.627,874 83.254,875 117.568,878 70.627,879 15.614,880 56,881 62.74,882 66.468,883 70.627,884 83.254,885 117.568,887 0.586,888 0.338,889 0.19,890 0.109,891 15,892 6,893 0.036,894 1,895 1,896 1.133,897 2.947,898 123.912,899 0.133,900 15,901 69.487,904 10.599,905 4.038,906 1.889,907 2.179,908 66.468,909 11.511,910 8.121,911 3.211,914 3.164,916 49.683,917 271.448,918 27,926 26.287,927 29.08,928 0.349,929 0.752,930 0.918,931 0.984,932 0.984,933 0.984,934 4.543,935 0.582,936 5.38,937 2.503,938 4.007,939 4.705,941 6.201,942 3.886,943 5.784,944 -0.308,945 6.94,946 1.442,947 3.611,948 4.559,950 7.111,951 3.4,952 7.107,953 -0.417,954 8.6,955 -0.724,956 5.602,957 7.019,959 10.233,960 5.408,961 8.469,962 -0.748,963 10.32,964 -0.948,965 6.019,966 7.72,968 12.014,969 5.785,970 9.863,971 -0.913,972 12.08,973 -2.107,974 7.496,975 9.634,977 14.658,978 7.265,979 11.282,980 -1.246,981 13.869,982 -2.721,983 8.299,984 10.751,986 16.801,987 8.054,988 12.719,989 -1.384,990 15.681,991 -3.125,992 9.568,993 12.43,995 19.282,996 9.317,997 3.172,998 -1.53,999 17.511,1000 -3.41,1001 10.556,1002 13.755,1004 21.573,1005 10.297,1006 2.618,1007 10.95,1008 19.354,1009 -4.592,1010 11.743,1011 15.333,1013 23.996,1014 11.473,1015 2.232,1016 7.959,1017 21.209,1018 4.555,1019 12.817,1020 16.757,1022 26.347,1023 12.539,1024 2.017,1025 6.015,1026 23.072,1027 3.674,1028 13.975,1029 18.294,1031 28.75,1032 13.683,1033 1.487,1034 5.75,1035 24.943,1036 3.051,1037 15.089,1038 19.766,1040 31.125,1041 14.785,1042 1.221,1043 4.211,1044 26.82,1045 2.766,1046 16.238,1047 21.287,1049 33.522,1050 15.92,1051 1.063,1052 3.016,1053 28.702,1054 2.175,1055 17.371,1056 22.78,1058 35.907,1059 17.038,1060 2234,1061 4159,1062 12.83,1063 19.659,1064 29.171,1065 28.935,1066 29.765,1067 29.01,1068 28.784,1069 40.882,1071 83.693,1072 26.756,1073 5.265,1074 5.205,1075 6.272,1076 5.223,1077 5.172,1078 7.555,1080 18.106,1081 5.108,1082 6.769,1083 1.535,1084 1.523,1085 1.567,1086 1.527,1087 1.515,1088 2.152,1090 4.405,1091 1.408,1092 4.137,1093 4.168,1094 6.88,1095 4.065,1096 5.238,1097 4.066,1098 3.783,1099 3.839,1100 4.074,1101 3.633,1102 4.959,1103 3.648,1104 3.388,1105 3.436,1106 3.726,1107 3.296,1108 4.586,1109 3.276,1110 3.042,1111 3.147,1112 3.167,1113 2.863,1114 4.308,1115 2.85,1116 2.928,1117 2.992,1118 2.89,1119 2.737,1120 3.931,1121 2.75,1122 2.589,1123 2.672,1124 2.779,1125 2.405,1126 3.689,1127 2.401,1128 2.423,1129 2.474,1130 2.493,1131 2.34,1132 3.447,1133 2.301,1134 2.229,1135 2.373,1136 2.129,1137 1.805,1138 3.304,1139 1.813,1140 0.243,1141 0.169,1142 0.354,1143 0.219,1144 0.167,1145 4.61,1146 0.24,1147 3.205,1149 6.72,1150 0.576,1151 4.152,1152 0.164,1153 3.172,1154 4.555,1156 10.95,1157 3.108,1158 1.944,1159 1.927,1160 1.991,1161 2.016,1162 1.169,1163 2.016,1164 1.76,1165 1.715,1166 1.849,1167 1.938,1168 0.867,1169 1.918,1170 1.397,1171 1.334,1172 1.546,1173 1.625,1174 0.536,1175 1.611,1176 1.015,1177 0.974,1178 1.254,1179 1.302,1180 0.249,1181 1.304,1182 0.927,1183 0.835,1184 1.13,1185 1.11,1186 0.099,1187 1.128,1188 0.755,1189 0.693,1190 0.974,1191 0.916,1193 0.96,1194 0.395,1195 0.319,1196 0.655,1197 0.655,1199 0.658,1200 0.15,1202 0.528,1203 0.551,1205 0.562,1206 3.664,1208 4.99,1209 2.398,1210 6.515,1211 4.727,1212 8.13,1213 6.843,1214 9.793,1215 3.467,1220 5.597,1231 18.691,1232 42.663,1233 91.947,1234 112.211,1235 120.211,1236 120.211,1237 120.211,1238 15.899,1239 6.455,1240 67.59,1241 67.59,1242 17,1243 12.151,1244 4.087,1245 3.17,1246 23.619,1247 41,1248 36,1249 0.294,1250 122.298,1251 191.18,1252 290.166,1253 4497,1254 3.8,1255 11.828,1256 0.696,1257 0.612,1258 12.828,1259 10.4,1260 8.237,1261 0.434,1262 0.31,1263 5.084,1264 7.425,1265 4.939,1266 4.08,1267 8.815,1268 5.887,1269 7.615,1270 0.282,1271 0.171,1272 8.432,1273 4.608,1274 6.313,1275 0.175,1276 0.086,1277 6.838,1278 3.087,1279 5.446,1280 0.111,1281 0.045,1282 5.885,1283 2.19,1284 4.433,1285 0.073,1286 0.026,1287 5.014,1288 1.559,1289 0.435,1290 59.4,1291 0.279,1292 16.724,1293 0.883,1294 92,1295 255.59,1296 164.559,1297 293.987,1298 400.18,1299 274,1300 109,1301 278.832,1302 143.592,1303 297.753,1304 434.75,1305 281,1306 6.481} {0 CHEMBL457313,1 1.72,2 5,3 1.243,4 1.544,5 56.804,6 10.113,7 0.938,8 3.187,9 3.289,10 3.093,11 2.872,12 4.445,13 2.841,14 3.608,15 3.728,16 3.519,17 3.259,18 4.848,19 3.206,20 3.684,21 3.822,22 3.565,23 3.251,24 4.884,25 3.189,26 3.596,27 3.751,28 3.182,29 3.091,30 4.787,31 2.977,32 3.359,33 3.572,34 2.57,35 2.619,36 4.525,37 2.521,38 2.982,39 3.228,40 2.05,41 2.123,42 4.164,43 2.064,44 2.616,45 2.937,46 0.651,47 1.541,48 3.401,49 1.277,50 1.693,51 2.115,52 0.035,53 0.545,54 1.792,55 0.298,56 0.05,57 0.357,58 2.082,59 1.472,60 5.939,61 1.251,62 0.119,63 0.565,64 4.402,65 2.496,66 10.225,67 2.25,68 0.111,69 0.61,70 6.102,71 2.875,72 8.458,73 2.559,74 0.13,75 0.543,76 9.298,77 3.544,78 11.73,79 3.011,80 0.12,81 0.399,82 6.465,83 2.478,84 10.791,85 2.492,86 0.09,87 0.262,88 2.998,89 1.218,90 9.24,91 1.109,92 0.069,93 0.152,94 3.425,95 1.223,96 8.576,97 1.459,98 0.029,99 0.042,100 2.872,101 0.764,102 3.684,103 1.136,104 2,105 23,106 0.352,107 0.714,108 0.844,109 0.865,110 0.865,111 0.865,112 2.739,113 0.921,114 -2.19,115 -2.23,116 -2.2,119 45,133 2,134 1,136 1,137 1,138 1,139 1,143 1,150 1,152 1,153 1,154 1,159 2,161 1,162 4,163 1,164 1,168 2,172 4,176 1,178 1,180 1,181 1,182 2,184 1,185 1,187 1,190 1,192 1,193 1,194 1,196 1,197 1,199 1,204 1,206 1,211 1,215 1,255 128,256 9.707,257 9.707,258 9.707,259 9.707,260 9.707,261 7.972,262 3.162,263 5.704,264 10.08,265 7.91,266 7.91,267 7.91,268 7.91,269 7.91,270 5.353,271 2.5,272 2.695,273 8.558,274 2.602,275 0.838,276 0.2,277 0.1,278 0.1,279 0.1,280 3.411,284 1,285 155,286 1.581,288 15.39,289 44.908,291 63.477,295 0.714,296 10.335,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 30,307 70,308 4.738,309 3.258,310 6.843,311 4.182,312 3.247,313 4.838,315 11.378,316 3.035,317 3.956,318 2.549,319 5.906,320 3.44,321 2.5,322 3.623,324 8.034,325 2.341,326 3.379,327 1.926,328 5.111,329 2.807,330 1.902,331 2.795,333 5.782,334 1.716,335 3.057,336 1.584,337 4.349,338 2.485,339 1.571,340 2.326,342 3.955,343 1.417,344 2.822,345 1.325,346 3.811,347 2.246,348 1.323,349 1.983,351 3.054,352 1.212,353 2.649,354 1.2,355 3.598,356 2.116,357 1.176,358 1.719,360 2.812,361 1.099,362 1.955,363 0.531,364 3.089,365 1.356,366 0.492,367 0.709,369 1.19,370 0.417,371 1.09,372 -0.199,373 2.416,374 0.602,375 -0.301,376 -0.402,378 -0.687,379 -0.27,380 0.799,381 -0.701,382 2.281,383 0.226,384 -0.701,385 -1.051,386 -1.78,387 -0.634,388 0.587,389 -0.867,390 2,391 0.046,392 -0.889,393 -1.298,394 -2.21,395 -0.824,396 0.313,397 -1.157,398 2,399 -0.251,400 -1.176,401 -1.719,402 -3.298,403 -1.089,404 -0.059,405 -1.289,406 1.451,407 -0.453,408 -1.377,409 -1.89,411 -3.576,412 -1.271,413 -0.371,414 -1.862,415 1.259,416 -0.883,417 -1.865,418 -2.79,420 -5.268,421 -1.508,422 -0.416,423 -1.898,424 1.096,425 -1.033,426 -1.902,427 -2.844,429 -5.893,430 -1.801,431 -0.5,432 -2,433 0.473,434 -1.071,435 -2,436 -3,438 -6.21,439 -1.898,440 6.933,441 0.495,442 0.312,443 0.022,444 22.25,445 1.589,446 12.5,447 0.893,448 9.75,449 0.696,450 7.257,451 0.518,452 13.467,453 0.673,454 11.287,455 0.806,456 4.198,457 0.3,458 2.662,459 0.19,460 0.058,462 0.361,466 1.062,467 1.028,468 0.666,469 0.67,470 1.177,471 0.624,472 0.791,473 0.83,474 0.759,475 0.75,476 0.721,477 0.665,478 0.927,479 1.266,480 0.847,481 1.061,482 0.897,483 0.864,484 0.951,485 1.096,486 1.669,487 1.512,488 0.936,489 1.285,490 0.921,491 1.058,492 1.241,493 1.284,494 0.737,495 1.4,496 1.769,497 1.014,498 0.864,499 0.759,500 1.757,501 1.204,502 1.264,503 0.63,504 0.955,505 0.829,506 1.774,507 1.424,514 2,516 1.778,517 1.326,518 0.671,519 0.181,520 0.08,524 1290,525 4107,526 2.2,527 30,529 2,531 2,532 2,536 1.515,537 2.1,538 2.447,539 0.616,543 1,545 34.399,546 1.72,547 3.484,548 4.122,549 4.222,550 4.222,551 4.222,552 1.577,553 3.522,554 3.786,555 2.439,556 221.921,557 6.335,558 1691.56,560 1,563 86.439,564 1.264,565 3.757,566 0.125,568 0.077,569 0.06,570 0.042,571 0.02,572 0.016,576 0.341,577 0.67,578 1,579 0.544,580 50.769,581 -0.254,582 -0.033,583 0.017,584 0.117,585 -0.316,586 0.094,587 0.079,588 0.185,589 0.099,590 0.154,591 0.019,592 0.125,593 -0.022,594 -0.282,595 0.162,596 -0.069,597 -0.061,598 0.007,599 -0.029,600 -0.099,601 -0.448,602 -0.363,603 0.018,604 -0.331,605 0.1,606 -0.152,607 -0.317,608 -0.372,609 0.243,610 -0.388,611 -0.555,612 -0.093,613 -0.208,614 -0.06,615 -0.439,616 -0.246,617 -0.219,618 0.115,619 0.004,620 0.104,621 -0.485,622 -0.068,623 0.962,624 0.501,625 1.545,626 1.364,627 1.118,628 2.091,629 1.141,630 1.752,631 0.929,632 5.735,633 1.018,634 1.116,635 0.959,636 0.919,637 0.772,638 2.833,639 3.178,640 3.526,641 3.85,642 4.078,643 4.094,644 4.143,645 4.19,646 3.85,647 3.611,648 3.26,649 0.74,650 202.26,651 2.833,652 4.369,653 5.252,654 6.155,655 7.059,656 7.969,657 8.879,658 9.792,659 10.704,660 11.617,661 20,665 1,671 3,674 4,675 4,676 3,679 1,680 1,682 15,691 1,699 20,700 15,702 16,704 22,705 9,706 9,710 3,711 6,721 9,736 6,737 4,738 2,739 5,740 1,743 4,747 0.333,754 1,755 1,759 1,760 2,762 2,777 1,779 1,785 14,786 1,797 1,808 6.667,809 3.683,810 3.028,811 1.072,812 3.25,813 1.521,814 1.091,815 1.568,816 9.492,817 3.199,818 3.937,819 4.691,820 5.426,821 6.055,822 6.46,823 6.922,824 7.371,825 7.403,826 7.582,827 0.5,828 22,829 5.106,830 0.002,831 2.207,832 7.726,833 9.672,834 0.001,835 8.046,837 2.226,838 31.167,839 0.005,842 47.084,843 76.004,844 83.254,848 31.278,849 44.726,850 47.084,851 83.254,854 51.85,855 74.216,856 22.383,857 3.074,858 54.82,860 47.084,861 127.98,863 31.278,865 47.084,869 20.127,870 57.496,871 50.357,872 31.278,873 47.084,874 83.254,875 76.004,878 47.084,879 39.385,880 36.619,882 83.254,883 47.084,884 83.254,885 76.004,887 0.584,888 0.359,889 0.21,890 0.117,891 14,892 5,895 2,896 1.308,897 2.654,898 97.563,899 0.308,900 13,901 53.303,902 1,904 7.916,905 2.772,906 1.07,907 3.808,908 83.254,909 7.137,910 12.416,913 1.527,914 0.526,916 32.897,917 206.342,918 23.5,926 20.367,927 22.328,928 0.398,929 0.806,930 0.954,931 0.977,932 0.977,933 0.977,934 4.404,935 -0.301,936 5.242,937 1.19,938 3.85,939 4.62,941 6.107,942 3.697,943 5.658,944 -0.701,945 6.828,946 -0.687,947 3.434,948 4.559,950 7.111,951 3.228,952 7,953 -0.889,954 8.521,955 -1.78,956 5.476,957 7.047,959 10.276,960 5.191,961 8.39,962 -1.176,963 10.28,964 -2.21,965 5.943,966 7.892,968 12.155,969 5.595,970 9.818,971 -1.377,972 12.08,973 -3.298,974 7.447,975 9.817,977 14.829,978 7.037,979 11.274,980 -1.865,981 13.908,982 -3.576,983 8.319,984 11.079,986 17.045,987 7.839,988 12.752,989 -1.902,990 15.756,991 -5.268,992 9.613,993 12.783,995 19.558,996 9.072,997 3.247,998 -2,999 17.619,1000 -5.893,1001 10.662,1002 14.228,1004 21.905,1005 10.049,1006 2.5,1007 11.378,1008 19.493,1009 -6.21,1010 11.876,1011 15.848,1013 24.363,1014 11.201,1015 1.902,1016 8.034,1017 21.376,1018 4.838,1019 12.999,1020 17.37,1022 26.761,1023 12.253,1024 1.571,1025 5.782,1026 23.266,1027 3.623,1028 14.186,1029 18.96,1031 29.201,1032 13.375,1033 1.323,1034 3.955,1035 25.161,1036 2.795,1037 15.339,1038 20.514,1040 31.619,1041 14.459,1042 1.176,1043 3.054,1044 27.061,1045 2.326,1046 16.517,1047 22.093,1049 34.053,1050 15.571,1051 0.492,1052 2.812,1053 28.964,1054 1.983,1055 17.684,1056 23.66,1058 36.479,1059 16.669,1060 1272,1061 2359,1062 11.038,1063 15.432,1064 24.551,1065 24.396,1066 25.163,1067 24.399,1068 24.421,1069 35.988,1071 72.41,1072 22.474,1073 5.238,1074 5.258,1075 6.524,1076 5.296,1077 5.247,1078 7.838,1080 18.662,1081 4.976,1082 3.955,1083 1.534,1084 1.525,1085 1.573,1086 1.525,1087 1.526,1088 2.249,1090 4.526,1091 1.405,1092 4.141,1093 4.157,1094 4.39,1095 4.13,1096 5.238,1097 4.088,1098 3.627,1099 3.686,1100 3.574,1101 3.473,1102 4.925,1103 3.486,1104 3.067,1105 3.137,1106 3.343,1107 3.008,1108 4.647,1109 2.95,1110 3.006,1111 3.079,1112 2.924,1113 2.771,1114 3.985,1115 2.781,1116 2.745,1117 2.826,1118 2.656,1119 2.519,1120 3.863,1121 2.53,1122 2.266,1123 2.353,1124 2.219,1125 2.074,1126 3.559,1127 2.077,1128 2.142,1129 2.229,1130 2.088,1131 1.924,1132 3.022,1133 1.88,1134 1.62,1135 1.756,1136 1.713,1137 1.447,1138 2.337,1139 1.369,1140 0.296,1141 0.204,1142 0.428,1143 0.261,1144 0.203,1145 4.738,1146 0.302,1147 3.258,1149 6.843,1150 0.711,1151 4.182,1152 0.19,1153 3.247,1154 4.838,1156 11.378,1157 3.035,1158 1.9,1159 1.872,1160 1.966,1161 2.019,1162 1.065,1163 2.003,1164 1.721,1165 1.702,1166 1.722,1167 1.852,1168 0.833,1169 1.851,1170 1.023,1171 0.998,1172 1.205,1173 1.283,1174 0.282,1175 1.271,1176 0.884,1177 0.827,1178 1.051,1179 1.039,1180 0.053,1181 1.071,1182 0.769,1183 0.666,1184 0.879,1185 0.971,1187 1.024,1188 0.492,1189 0.403,1190 0.759,1191 0.722,1193 0.76,1196 0.298,1197 0.305,1199 0.277,1202 0.141,1203 0.046,1205 0.147,1206 3.497,1208 4.828,1209 2.398,1210 6.382,1211 4.844,1212 8.034,1213 7.066,1214 9.735,1220 5.752,1231 14.8,1232 34.399,1233 69.684,1234 82.439,1235 84.439,1236 84.439,1237 84.439,1238 12.242,1239 6.242,1240 64.69,1241 92.93,1242 17,1243 12.13,1244 4,1245 3.087,1246 18.019,1247 29,1248 19,1249 0.355,1250 95.665,1251 141.15,1252 225.183,1253 3352,1255 9.544,1256 0.682,1257 0.568,1258 9.897,1259 7.953,1260 6.86,1261 0.429,1262 0.307,1263 4.111,1264 6.198,1265 3.967,1266 3.276,1267 7.268,1268 4.914,1269 6.18,1270 0.269,1271 0.169,1272 6.796,1273 3.894,1274 5.57,1275 0.169,1276 0.096,1277 6.464,1278 3.182,1279 4.907,1280 0.107,1281 0.053,1282 5.855,1283 2.427,1284 4.077,1285 0.07,1286 0.028,1287 4.956,1288 1.622,1289 0.502,1290 46.895,1291 0.301,1292 13.6,1293 1.146,1294 78,1295 231.108,1296 110.479,1297 251.184,1298 352.91,1299 236,1300 95,1301 253.982,1302 127.383,1303 275.133,1304 407.91,1305 259,1306 5.553} {0 CHEMBL46440,1 1.641,2 6.941,3 2.815,4 7.921,5 70.842,6 11.121,7 0.842,8 3.408,9 3.527,10 3.318,11 3.05,12 4.618,13 3.034,14 3.842,15 3.976,16 3.756,17 3.445,18 5.066,19 3.401,20 4.014,21 4.187,22 3.737,23 3.515,24 5.108,25 3.431,26 3.95,27 4.129,28 3.657,29 3.396,30 5.048,31 3.304,32 3.899,33 4.118,34 3.504,35 3.265,36 4.943,37 3.144,38 3.729,39 3.97,40 3.156,41 2.987,42 4.815,43 2.876,44 3.478,45 3.737,46 3.163,47 2.695,48 4.545,49 2.55,50 3.052,51 3.331,52 2.893,53 2.313,54 4.01,55 2.075,56 0.05,57 0.415,58 1.59,59 1.813,60 6.619,61 1.928,62 0.118,63 0.639,64 3.202,65 3.193,66 12.483,67 3.691,68 0.141,69 0.709,70 15.268,71 4.563,72 13.859,73 4.84,74 0.139,75 0.663,76 10.464,77 4.121,78 12.633,79 4.693,80 0.128,81 0.606,82 12.945,83 4.396,84 14.652,85 5.067,86 0.162,87 0.526,88 12.323,89 3.611,90 16.182,91 4.207,92 0.131,93 0.386,94 8.036,95 2.761,96 14.556,97 3.145,98 0.092,99 0.225,100 11.079,101 2.408,102 11.244,103 2.558,104 5,105 27,106 0.317,107 0.684,108 0.835,109 0.894,110 0.894,111 0.894,112 2.91,113 0.93,114 -3.52,115 -3.49,116 -3.34,117 1,119 46.2,133 4,134 2,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 3,161 1,162 3,163 2,164 2,166 3,168 7,172 1,176 1,178 5,182 2,185 1,187 5,190 2,192 2,194 3,199 1,202 3,204 1,206 1,209 1,210 1,211 1,212 1,215 1,217 3,222 2,224 1,226 2,242 1,247 1,252 1,255 288,256 11.516,257 11.516,258 11.516,259 11.516,260 11.516,261 9.621,262 4.806,263 6.744,264 11.898,265 9.392,266 9.392,267 9.392,268 9.392,269 9.392,270 6.597,271 3.176,272 3.219,273 10.067,274 3.06,275 1.164,276 0.385,277 0.077,278 0.077,279 0.077,280 3.586,284 1,285 256,286 1.732,288 30.129,289 83.213,291 56.95,295 1.128,296 10.398,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 35.75,307 118,308 4.608,309 3.197,310 6.715,311 4.149,312 3.168,313 4.552,315 10.928,316 3.107,317 4.05,318 2.839,319 5.806,320 3.567,321 2.629,322 3.683,324 8.016,325 2.465,326 3.655,327 2.54,328 5.107,329 3.156,330 2.262,331 3.1,333 6.2,334 2.002,335 3.324,336 2.086,337 4.871,338 2.841,339 1.939,340 2.633,342 5.458,343 1.653,344 3.001,345 1.523,346 4.454,347 2.487,348 1.514,349 2.24,351 4.215,352 1.469,353 2.737,354 1.316,355 3.983,356 2.227,357 1.27,358 1.844,360 3.154,361 1.196,362 2.544,363 1.066,364 3.472,365 1.984,366 1.049,367 1.565,369 2.495,370 0.972,371 2.035,372 0.635,373 3.21,374 1.502,375 0.557,376 0.816,378 1.363,379 0.511,380 1.012,381 0.147,382 2.484,383 0.548,384 -0.335,385 -0.426,386 -0.788,387 -0.193,388 0.916,389 -0.248,390 2.371,391 0.444,392 -0.419,393 -0.524,394 -0.969,395 -0.372,396 0.756,397 -0.638,398 2,399 0.269,400 -0.673,401 -0.924,402 -1.904,403 -0.619,404 0.55,405 -0.903,406 2,407 0.018,408 -0.937,409 -1.383,411 -2.61,412 -0.877,413 0.019,414 -1.085,415 1.862,416 -0.406,417 -1.294,418 -1.731,420 -3.28,421 -1.028,422 -0.018,423 -1.267,424 1.53,425 -0.565,426 -1.368,427 -1.852,429 -3.409,430 -1.247,431 -0.112,432 -1.501,433 1.137,434 -0.611,435 -1.516,436 -2.143,438 -4.791,439 -1.449,440 8.933,441 0.525,442 0.435,443 0.026,444 25.75,445 1.515,446 14.5,447 0.853,448 11.25,449 0.662,450 10.544,451 0.62,452 16.267,453 0.626,454 14.137,455 0.832,456 4.892,457 0.288,458 3.345,459 0.197,460 0.194,462 0.336,466 1.044,467 1.073,468 0.46,469 0.594,470 1.198,471 0.636,472 0.634,473 0.883,474 0.563,475 0.7,476 0.467,477 0.777,478 1.159,479 1.008,480 1.028,481 0.985,482 0.935,483 0.989,484 0.827,485 1.137,486 0.814,487 1.103,488 0.902,489 1.171,490 1.007,491 1.087,492 0.846,493 0.973,494 0.946,495 1.049,496 0.974,497 0.936,498 0.735,499 0.909,500 1.141,501 1.018,502 1.154,503 1.015,504 0.801,505 0.926,506 1.311,507 1.03,508 1.453,509 0.76,510 1.837,511 1.111,512 1.745,513 0.998,514 3.5,516 2,517 1.257,518 0.881,519 0.375,520 0.298,521 0.127,522 0.082,523 0.016,524 2306,525 7803,526 2.127,527 34.6,529 4,530 1,531 1,532 3,536 1.571,537 2,538 2.836,539 1.251,543 1,545 42.663,546 1.641,547 3.536,548 4.316,549 4.624,550 4.624,551 4.624,552 2.307,553 4.087,554 4.061,555 2.903,556 394.875,557 6.873,558 3443.17,559 1,560 1,562 1,563 122.211,564 1.379,565 4.023,566 0.184,568 0.074,569 0.05,570 0.042,571 0.022,572 0.023,573 0.016,574 0.021,575 0.008,576 0.44,577 0.67,578 1,579 0.604,580 68.986,581 -0.224,582 0.006,583 -0.009,584 0.082,585 -0.335,586 0.084,587 0.186,588 0.16,589 0.01,590 0.048,591 0.256,592 0.006,593 -0.26,594 -0.028,595 -0.11,596 -0.067,597 -0.151,598 -0.085,599 0.027,600 -0.177,601 -0.047,602 -0.233,603 -0.09,604 -0.265,605 -0.106,606 -0.168,607 -0.013,608 -0.026,609 -0.038,610 -0.041,611 0.068,612 0.025,613 -0.018,614 -0.001,615 -0.006,616 -0.016,617 -0.047,618 -0.078,619 0.09,620 0.066,621 -0.029,622 0.03,623 -0.217,624 0.092,625 -0.027,626 0.273,627 -0.287,628 0.255,629 1.381,630 1.593,631 0.882,632 9.467,633 1.011,634 1.118,635 2.289,636 5.241,637 0.756,638 2.996,639 3.332,640 3.611,641 3.912,642 4.111,643 4.159,644 4.234,645 4.277,646 4.143,647 4.043,648 4.193,649 0.719,650 289.15,651 2.996,652 4.533,653 5.389,654 6.279,655 7.155,656 8.051,657 8.936,658 9.834,659 10.724,660 11.623,661 15.4,665 1,669 1,671 2,674 2,675 6,676 2,677 1,680 4,682 16,691 1,698 1,699 26,700 16,701 1,702 19,703 1,704 28,705 12,706 12,707 3,708 3,710 3,711 4,721 12,733 1,736 9,737 3,738 3,739 5,740 1,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,780 1,785 17,786 1,800 1,808 8.5,809 4.626,810 3.667,811 1.391,812 3.178,813 1.492,814 1.069,815 2.518,816 9.633,817 3.332,818 4.021,819 4.681,820 5.351,821 5.906,822 6.256,823 6.694,824 7.113,825 7.268,826 7.557,827 0.8,828 25,829 6.198,831 2.62,832 7.691,833 11.78,835 9.628,837 2.191,838 37.25,839 0.002,842 70.627,843 71.613,844 129.208,849 117.568,850 70.627,851 83.254,854 79.85,855 45.342,856 37.403,857 15.814,858 47.084,859 45.954,860 70.627,861 154.867,864 45.954,865 70.627,869 30.489,870 90.807,871 33.571,872 45.954,873 70.627,874 83.254,875 117.568,878 70.627,879 15.614,880 56,881 62.74,882 66.468,883 70.627,884 83.254,885 117.568,887 0.586,888 0.338,889 0.19,890 0.106,891 15,892 6,893 0.036,894 1,895 1,896 1.133,897 2.956,898 123.566,899 0.133,900 15,901 69.487,904 10.599,905 4.038,906 1.889,907 2.179,908 66.468,909 11.52,910 8.116,911 3.216,914 3.183,916 49.683,917 271.448,918 27,926 26.287,927 29.08,928 0.349,929 0.752,930 0.918,931 0.984,932 0.984,933 0.984,934 4.543,935 0.557,936 5.38,937 2.495,938 4.007,939 4.705,941 6.201,942 3.886,943 5.784,944 -0.335,945 6.94,946 1.363,947 3.611,948 4.559,950 7.111,951 3.4,952 7.107,953 -0.419,954 8.6,955 -0.788,956 5.602,957 7.019,959 10.232,960 5.408,961 8.469,962 -0.673,963 10.32,964 -0.969,965 6.019,966 7.72,968 12.012,969 5.785,970 9.863,971 -0.937,972 12.08,973 -1.904,974 7.496,975 9.634,977 14.653,978 7.265,979 11.282,980 -1.294,981 13.869,982 -2.61,983 8.299,984 10.751,986 16.793,987 8.054,988 12.719,989 -1.368,990 15.681,991 -3.28,992 9.568,993 12.43,995 19.271,996 9.316,997 3.168,998 -1.516,999 17.51,1000 -3.409,1001 10.554,1002 13.754,1004 21.559,1005 10.296,1006 2.629,1007 10.928,1008 19.353,1009 -4.791,1010 11.741,1011 15.331,1013 23.98,1014 11.472,1015 2.262,1016 8.016,1017 21.207,1018 4.552,1019 12.813,1020 16.755,1022 26.327,1023 12.536,1024 1.939,1025 6.2,1026 23.07,1027 3.683,1028 13.97,1029 18.291,1031 28.728,1032 13.681,1033 1.514,1034 5.458,1035 24.94,1036 3.1,1037 15.082,1038 19.761,1040 31.1,1041 14.782,1042 1.27,1043 4.215,1044 26.816,1045 2.633,1046 16.23,1047 21.281,1049 33.495,1050 15.916,1051 1.049,1052 3.154,1053 28.696,1054 2.24,1055 17.361,1056 22.774,1058 35.877,1059 17.034,1060 2264,1061 4242,1062 12.83,1063 19.659,1064 29.168,1065 28.919,1066 29.761,1067 29.004,1068 28.775,1069 40.87,1071 83.658,1072 26.748,1073 5.262,1074 5.197,1075 6.267,1076 5.22,1077 5.168,1078 7.552,1080 18.104,1081 5.107,1082 6.851,1083 1.535,1084 1.522,1085 1.566,1086 1.527,1087 1.514,1088 2.151,1090 4.403,1091 1.408,1092 4.137,1093 4.168,1094 6.88,1095 4.064,1096 5.238,1097 4.066,1098 3.783,1099 3.839,1100 4.074,1101 3.635,1102 4.959,1103 3.649,1104 3.388,1105 3.436,1106 3.723,1107 3.296,1108 4.586,1109 3.276,1110 3.041,1111 3.147,1112 3.169,1113 2.844,1114 4.307,1115 2.839,1116 2.93,1117 2.99,1118 2.908,1119 2.745,1120 3.928,1121 2.756,1122 2.594,1123 2.669,1124 2.772,1125 2.475,1126 3.718,1127 2.441,1128 2.415,1129 2.478,1130 2.445,1131 2.27,1132 3.456,1133 2.261,1134 2.229,1135 2.373,1136 2.172,1137 1.802,1138 3.233,1139 1.813,1140 0.243,1141 0.168,1142 0.353,1143 0.218,1144 0.167,1145 4.608,1146 0.24,1147 3.197,1149 6.715,1150 0.575,1151 4.149,1152 0.164,1153 3.168,1154 4.552,1156 10.928,1157 3.107,1158 1.944,1159 1.926,1160 1.993,1161 2.017,1162 1.168,1163 2.016,1164 1.759,1165 1.715,1166 1.843,1167 1.936,1168 0.867,1169 1.916,1170 1.398,1171 1.334,1172 1.554,1173 1.63,1174 0.537,1175 1.616,1176 1.016,1177 0.973,1178 1.257,1179 1.303,1180 0.252,1181 1.306,1182 0.925,1183 0.835,1184 1.109,1185 1.094,1186 0.094,1187 1.112,1188 0.754,1189 0.694,1190 0.985,1191 0.921,1193 0.969,1194 0.397,1195 0.318,1196 0.656,1197 0.662,1199 0.661,1200 0.15,1202 0.528,1203 0.551,1205 0.562,1206 3.664,1208 4.99,1209 2.398,1210 6.515,1211 4.727,1212 8.13,1213 6.843,1214 9.793,1215 3.444,1220 5.593,1231 18.691,1232 42.663,1233 91.947,1234 112.211,1235 120.211,1236 120.211,1237 120.211,1238 15.874,1239 6.455,1240 67.59,1241 67.59,1242 17,1243 12.147,1244 4.087,1245 3.17,1246 23.673,1247 42,1248 41,1249 0.289,1250 122.298,1251 191.18,1252 290.166,1253 4497,1254 3.8,1255 11.828,1256 0.696,1257 0.612,1258 12.828,1259 10.4,1260 8.237,1261 0.434,1262 0.31,1263 5.084,1264 7.425,1265 4.939,1266 4.08,1267 8.815,1268 5.887,1269 7.615,1270 0.282,1271 0.171,1272 8.432,1273 4.608,1274 6.307,1275 0.175,1276 0.086,1277 6.831,1278 3.087,1279 5.494,1280 0.112,1281 0.045,1282 5.963,1283 2.195,1284 4.354,1285 0.073,1286 0.025,1287 4.839,1288 1.491,1289 0.43,1290 59.4,1291 0.279,1292 16.79,1293 0.86,1294 92,1295 255.59,1296 164.559,1297 293.987,1298 400.18,1299 274,1300 109,1301 278.832,1302 143.592,1303 297.753,1304 434.75,1305 281,1306 6.886} {0 CHEMBL471250,1 1.757,2 7.917,3 4.225,4 17.848,5 87.09,6 9.479,7 0.741,8 3.712,9 3.799,10 3.462,11 3.272,12 5.109,13 3.308,14 4.147,15 4.234,16 3.852,17 3.699,18 5.585,19 3.72,20 4.395,21 4.534,22 3.932,23 3.786,24 5.71,25 3.804,26 4.488,27 4.642,28 3.93,29 3.741,30 5.884,31 3.768,32 4.411,33 4.558,34 3.865,35 3.594,36 5.871,37 3.656,38 4.314,39 4.457,40 3.803,41 3.504,42 5.911,43 3.56,44 4.219,45 4.358,46 3.58,47 3.339,48 5.889,49 3.379,50 4.021,51 4.207,52 3.148,53 3.052,54 5.499,55 3.038,56 0.251,57 0.535,58 3.915,59 2.528,60 19.824,61 2.314,62 0.328,63 0.822,64 5.676,65 4.408,66 50.613,67 4.331,68 0.429,69 1.025,70 10.282,71 5.604,72 48.193,73 5.682,74 0.63,75 1.068,76 13.373,77 5.978,78 76.434,79 5.953,80 0.672,81 0.958,82 13.207,83 5.297,84 93.302,85 4.692,86 0.673,87 0.854,88 11.743,89 4.856,90 84.92,91 4.755,92 0.745,93 0.744,94 10.997,95 4.365,96 110.307,97 3.682,98 0.552,99 0.57,100 11.245,101 4.137,102 79.679,103 4.332,104 21,105 40,106 0.311,107 0.644,108 0.747,109 0.87,110 0.891,111 0.891,112 3.23,113 0.782,114 -3.69,115 -3.66,116 -3.48,119 47.1,133 7,134 3,135 2,143 3,144 1,155 3,159 7,161 1,162 3,165 1,166 7,168 7,172 9,174 1,176 6,178 6,182 10,185 1,186 2,187 4,190 4,194 7,197 3,199 4,202 5,206 3,209 6,211 5,213 5,216 1,217 3,220 4,222 4,224 5,228 3,229 5,237 4,241 2,242 6,250 2,255 764,256 16.301,257 16.301,258 16.301,259 16.301,260 16.301,261 13.667,262 12.56,263 9.308,264 16.568,265 13.259,266 13.259,267 13.259,268 13.259,269 13.259,270 9.183,271 12.16,272 4.295,273 13.66,274 3.33,275 1.45,276 0.872,277 0.176,278 0.059,279 0.059,280 3.925,284 1,285 414,286 2.915,288 84.928,289 111.565,291 165.068,295 1.181,296 35.11,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54,307 190,308 4.784,309 3.782,310 7.064,311 4.342,312 3.366,313 4.746,314 2.612,315 12.196,316 3.284,317 4.519,318 3.425,319 6.594,320 4.021,321 3.044,322 4.471,323 0.894,324 10.489,325 2.974,326 4.153,327 3.102,328 5.959,329 3.633,330 2.667,331 3.796,333 8.296,334 2.574,335 3.698,336 2.514,337 5.703,338 3.224,339 2.246,340 3.184,342 7.397,343 2.193,344 3.405,345 2.369,346 5.272,347 2.921,348 1.964,349 2.756,351 6.015,352 1.879,353 3.196,354 2.054,355 4.875,356 2.683,357 1.747,358 2.484,360 5.147,361 1.627,362 3.039,363 1.803,364 4.626,365 2.512,366 1.535,367 2.306,369 4.443,370 1.496,371 2.881,372 1.642,373 3.799,374 2.296,375 1.303,376 1.99,378 2.954,379 1.293,380 2.787,381 1.535,382 3.761,383 2.206,384 1.215,385 1.919,386 2.888,387 1.203,388 2.542,389 1.304,390 3.589,391 1.974,392 1,393 1.429,394 2.325,395 0.971,396 2.013,397 1,398 3.378,399 1.468,400 0.5,401 0.748,402 1.355,403 0.483,404 1.893,405 0.75,406 2.773,407 1.202,408 0.219,409 0.36,411 0.359,412 0.215,413 1.093,414 0.516,415 2.507,416 0.666,417 -0.269,418 -0.348,420 -0.66,421 -0.249,422 1,423 0.068,424 2.4,425 0.261,426 -0.715,427 -1.02,429 -1.727,430 -0.69,431 0.76,432 -0.463,433 2.256,434 0.123,435 -0.83,436 -1.143,438 -2,439 -0.778,440 10.933,441 0.456,442 0.661,443 0.028,444 37.5,445 1.563,446 21.5,447 0.896,448 16,449 0.667,450 14.136,451 0.589,452 24.467,453 0.72,454 28.157,455 1.173,456 7.565,457 0.315,458 4.031,459 0.168,460 0.122,462 0.448,466 0.536,467 0.867,468 0.608,469 0.662,470 0.556,471 0.657,472 0.44,473 1.185,474 0.629,475 1.034,476 0.379,477 0.943,478 0.741,479 1.18,480 0.844,481 1.107,482 0.58,483 1.031,484 0.956,485 1.107,486 0.998,487 1.081,488 0.909,489 1.056,490 1.301,491 1.015,492 1.049,493 0.971,494 1.224,495 0.924,496 0.977,497 0.943,498 0.93,499 0.988,500 1.047,501 0.952,502 1.274,503 0.915,504 1.312,505 0.996,506 1.299,507 1.122,508 1.215,509 0.855,510 1.315,511 1.068,512 1.43,513 1.205,514 4.5,515 0.04,516 3.111,517 2.618,518 1.526,519 1.184,520 0.706,521 0.307,522 0.247,523 0.062,524 5617,525 20846,526 2.11,527 29.4,529 7,532 3,536 1.677,537 1.946,538 3.013,539 1.08,541 1,545 59.754,546 1.757,547 3.637,548 4.215,549 4.911,550 5.029,551 5.029,552 2.44,553 4.335,554 4.558,555 3.131,556 864.185,557 7.907,558 9661.94,560 1,562 1,563 172.974,564 1.483,565 4.504,566 0.167,567 0.01,568 0.078,569 0.062,570 0.038,571 0.032,572 0.021,573 0.012,574 0.015,575 0.006,576 0.441,577 0.5,578 1,579 0.921,580 110.503,581 0.119,582 0.244,583 0.001,584 0.253,585 -0.015,586 0.125,587 0.147,588 -0.144,589 0.002,590 -0.075,591 0.151,592 -0.092,593 -0.06,594 -0.162,595 -0.017,596 -0.149,597 0.003,598 -0.086,599 -0.08,600 -0.112,601 -0.047,602 -0.125,603 -0.069,604 -0.087,605 -0.228,606 -0.026,607 -0.057,608 -0.029,609 -0.195,610 0.01,611 0.096,612 0.04,613 0.062,614 -0.039,615 0.026,616 -0.011,617 -0.039,618 0.039,619 -0.28,620 -0.043,621 -0.032,622 -0.193,623 -0.064,624 0.003,625 -0.095,626 -0.034,627 -0.178,628 -0.076,629 2.517,630 4.35,631 0.75,632 16.639,633 1.04,634 1.12,635 2.463,636 6.069,637 0.71,638 3.332,639 3.714,640 4.078,641 4.431,642 4.691,643 4.86,644 5.043,645 5.17,646 5.17,647 5.204,648 4.986,649 0.721,650 322.3,651 3.332,652 4.905,653 5.802,654 6.725,655 7.645,656 8.576,657 9.505,658 10.439,659 11.371,660 12.307,661 11.8,669 2,672 1,673 1,674 4,675 7,677 2,680 5,682 20,693 1,694 1,696 1,699 34,700 23,701 2,702 27,704 37,705 16,706 16,707 5,708 7,710 4,711 6,721 16,724 3,726 1,728 3,730 1,733 1,736 10,737 5,738 3,739 8,743 4,747 0.5,748 4,756 2,759 2,760 2,762 2,777 2,785 24,788 1,801 11.8,803 1,804 1,807 2,808 12.333,809 6.183,810 5.222,811 1.882,812 4.393,813 1.578,814 1.021,815 3.198,816 11.99,817 3.714,818 4.437,819 5.152,820 5.872,821 6.48,822 6.989,823 7.533,824 8.023,825 8.344,826 8.763,827 1,828 42,829 8.834,831 4.017,832 8.25,833 16.013,835 13.51,837 2.75,838 66,842 82.398,843 87.224,844 58.525,846 118.804,849 87.224,850 201.201,851 58.525,852 5.67,854 66.334,855 68.057,856 47.416,857 26.329,858 82.398,859 50.747,860 82.398,861 145.748,862 118.804,865 82.398,866 68.057,867 50.747,869 33.571,870 87.224,871 24.954,873 82.398,874 177.328,875 87.224,878 82.398,879 20.89,880 72.004,881 33.571,882 138.087,883 82.398,884 177.328,885 87.224,887 0.591,888 0.366,889 0.211,890 0.12,891 22,892 10,893 0.081,894 3,895 2,896 1.222,897 3.458,898 214.388,899 0.222,900 18,901 108.039,904 14.571,905 5.267,906 2.145,907 2.24,908 138.087,909 11.286,911 5.812,914 0.435,916 76.254,917 346.95,918 40,920 -0.517,922 33.39,924 3.08,926 35.367,927 38.076,928 0.345,929 0.715,930 0.829,931 0.965,932 0.988,933 0.988,934 4.956,935 1.303,936 5.82,937 4.443,938 4.394,939 5.124,940 2.625,941 6.723,942 4.337,943 6.224,944 1.215,945 7.435,946 2.954,947 4.111,948 5.156,949 2.361,950 7.794,951 4.02,952 7.578,953 1,954 9.152,955 2.888,956 6.071,957 7.52,958 4.174,959 10.956,960 5.962,961 8.975,962 0.5,963 10.927,964 2.325,965 6.621,966 8.395,967 4.506,968 12.871,969 6.483,970 10.405,971 0.219,972 12.74,973 1.355,974 8.077,975 10.237,976 5.951,977 15.563,978 7.921,979 11.861,980 -0.269,981 14.579,982 0.359,983 8.994,984 11.484,985 6.556,986 17.817,987 8.81,988 13.335,989 -0.715,990 16.436,991 -0.66,992 10.267,993 13.132,994 7.795,995 20.36,996 10.065,997 3.366,998 -0.83,999 18.309,1000 -1.727,1001 11.341,1002 14.543,1003 8.548,1004 22.75,1005 11.112,1006 3.044,1007 12.196,1008 20.193,1009 -2,1010 12.552,1011 16.117,1012 9.67,1013 25.249,1014 12.303,1015 2.667,1016 10.489,1017 22.086,1018 4.746,1019 13.693,1020 17.599,1021 10.509,1022 27.694,1023 13.417,1024 2.246,1025 8.296,1026 23.987,1027 4.471,1028 14.886,1029 19.147,1030 11.563,1031 30.181,1032 14.589,1033 1.964,1034 7.397,1035 25.895,1036 3.796,1037 16.056,1038 20.659,1039 12.452,1040 32.65,1041 15.734,1042 1.747,1043 6.015,1044 27.808,1045 3.184,1046 17.247,1047 22.2,1048 13.468,1049 35.137,1050 16.901,1051 1.535,1052 5.147,1053 29.726,1054 2.756,1055 18.431,1056 23.727,1057 14.386,1058 37.618,1059 18.061,1060 5419,1061 10556,1062 17.918,1063 24.125,1064 42.265,1065 44.215,1066 44.051,1067 41.674,1068 41.612,1069 60.379,1070 7.014,1071 127.729,1072 40.38,1073 5.48,1074 5.782,1075 6.746,1076 5.38,1077 5.366,1078 7.746,1079 4.612,1080 19.902,1081 5.284,1082 12.081,1083 1.565,1084 1.638,1085 1.632,1086 1.543,1087 1.541,1088 2.236,1089 0.26,1090 4.731,1091 1.496,1092 4.211,1093 4.239,1094 4.186,1095 4.116,1096 7.815,1097 4.129,1098 4.038,1099 4.068,1100 4.004,1101 3.942,1102 7.529,1103 3.951,1104 3.699,1105 3.726,1106 3.685,1107 3.422,1108 6.999,1109 3.458,1110 3.41,1111 3.456,1112 3.344,1113 3.203,1114 6.473,1115 3.24,1116 3.165,1117 3.194,1118 3.101,1119 2.883,1120 4.973,1121 2.923,1122 3.047,1123 3.105,1124 2.981,1125 2.826,1126 4.807,1127 2.834,1128 2.873,1129 2.931,1130 2.764,1131 2.616,1132 4.274,1133 2.68,1134 2.755,1135 2.803,1136 2.656,1137 2.354,1138 4.048,1139 2.437,1140 0.177,1141 0.14,1142 0.262,1143 0.161,1144 0.125,1145 4.784,1146 0.176,1147 3.782,1148 0.097,1149 7.064,1150 0.452,1151 4.342,1152 0.122,1153 3.366,1154 4.746,1155 2.612,1156 12.196,1157 3.284,1158 1.959,1159 1.939,1160 2.025,1161 2.101,1162 1.178,1163 2.066,1164 1.927,1165 1.902,1166 2.022,1167 2.012,1168 1.133,1169 2.016,1170 1.63,1171 1.598,1172 1.688,1173 1.823,1174 0.81,1175 1.784,1176 1.319,1177 1.275,1178 1.41,1179 1.737,1180 0.407,1181 1.629,1182 1.136,1183 1.114,1184 1.209,1185 1.465,1186 0.287,1187 1.395,1188 1.03,1189 0.973,1190 1.2,1191 1.283,1192 0.257,1193 1.25,1194 0.834,1195 0.774,1196 1.09,1197 1.05,1198 0.102,1199 1.074,1200 0.728,1201 0.663,1202 1,1203 0.961,1205 0.981,1206 4.007,1208 5.371,1209 3.045,1210 6.934,1211 5.533,1212 8.59,1213 7.735,1214 10.294,1221 10.273,1231 24.525,1232 59.754,1233 123.671,1234 143.322,1235 166.974,1236 170.974,1237 170.974,1238 47.728,1239 7.597,1240 127.06,1241 127.06,1242 22,1243 12.806,1244 4.585,1245 3.807,1246 33.561,1247 70,1248 69,1249 0.239,1250 148.562,1251 245.08,1252 354.252,1253 18874,1255 16.845,1256 0.702,1257 0.504,1258 16.845,1259 12.108,1260 11.597,1261 0.43,1262 0.261,1263 6.916,1264 11.001,1265 6.836,1266 5.628,1267 11.597,1268 7.034,1269 10.711,1270 0.268,1271 0.133,1272 10.711,1273 5.321,1274 9.466,1275 0.163,1276 0.069,1277 9.466,1278 3.993,1279 8.45,1280 0.102,1281 0.035,1282 8.45,1283 2.935,1284 6.993,1285 0.065,1286 0.018,1287 6.993,1288 1.993,1289 0.356,1290 74.137,1291 0.236,1292 22.6,1293 0.718,1294 134,1295 477.312,1296 149.326,1297 460.691,1298 616.98,1299 422,1300 165,1301 465.289,1302 180.608,1303 462.775,1304 673.5,1305 434,1306 5.886} {0 CHEMBL48082,1 1.46,2 6.313,3 2.066,4 4.269,5 63.219,6 8.087,7 0.889,8 3.401,9 3.531,10 3.047,11 2.983,12 4.605,13 2.983,14 3.832,15 3.982,16 3.389,17 3.355,18 5.034,19 3.331,20 3.998,21 4.198,22 3.323,23 3.397,24 5.058,25 3.343,26 3.937,27 4.137,28 3.177,29 3.301,30 4.999,31 3.225,32 3.885,33 4.126,34 2.974,35 3.134,36 4.89,37 3.039,38 3.718,39 3.977,40 2.795,41 2.888,42 4.79,43 2.8,44 3.463,45 3.745,46 2.241,47 2.534,48 4.466,49 2.399,50 3.02,51 3.349,52 1.473,53 1.929,54 3.905,55 1.731,56 0.032,57 0.429,58 4.52,59 1.874,60 6.596,61 2.338,62 0.102,63 0.655,64 7.411,65 3.247,66 12.95,67 4.186,68 0.091,69 0.721,70 10.178,71 3.861,72 12.79,73 5.16,74 0.089,75 0.671,76 9.466,77 3.776,78 12.126,79 5.063,80 0.082,81 0.605,82 10.116,83 3.679,84 13.972,85 5.136,86 0.13,87 0.516,88 8.943,89 2.967,90 15.777,91 4.201,92 0.092,93 0.376,94 7.285,95 2.224,96 14.155,97 3.174,98 0.065,99 0.217,100 5.262,101 1.551,102 11.036,103 2.326,104 2,105 25,106 0.282,107 0.626,108 0.793,109 0.879,110 0.894,111 0.894,112 2.855,113 0.832,114 -2.85,115 -2.86,116 -2.76,119 46.2,133 5,134 2,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 5,161 1,162 3,163 2,164 2,166 3,168 6,172 1,176 2,178 5,182 2,185 1,187 4,190 2,192 2,194 3,199 1,202 2,204 1,206 2,209 1,210 1,211 1,212 1,213 1,215 1,217 2,222 2,226 2,229 1,234 1,239 1,255 244,256 11.069,257 11.069,258 11.069,259 11.069,260 11.069,261 9.199,262 3.162,263 6.608,264 11.286,265 8.909,266 8.909,267 8.909,268 8.909,269 8.909,270 6.184,271 2.5,272 3.139,273 9.262,274 3.24,275 1.462,276 0.6,277 0.154,278 0.077,279 0.077,280 3.533,284 1,285 221,286 1.581,288 27.272,289 76.8,291 52.273,295 0.977,296 8.94,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 34,307 101,308 4.594,309 3.157,310 6.709,311 4.139,312 3.156,313 4.531,315 10.902,316 3.104,317 4.02,318 2.623,319 5.773,320 3.532,321 2.585,322 3.657,324 7.878,325 2.453,326 3.489,327 2.164,328 5.03,329 3.045,330 2.103,331 2.862,333 5.914,334 1.973,335 3.047,336 1.548,337 4.483,338 2.521,339 1.547,340 2.319,342 4.223,343 1.505,344 2.957,345 1.505,346 4,347 2.465,348 1.484,349 2.166,351 3.466,352 1.452,353 2.674,354 1.204,355 3.567,356 2.155,357 1.194,358 1.756,360 2.68,361 1.146,362 2.5,363 1,364 3.468,365 1.952,366 1,367 1.5,369 2.426,370 0.95,371 1.971,372 0.485,373 3.081,374 1.446,375 0.485,376 0.717,378 1.165,379 0.465,380 0.953,381 -0.247,382 2.409,383 0.53,384 -0.398,385 -0.505,386 -0.885,387 -0.368,388 0.77,389 -0.618,390 2,391 0.319,392 -0.633,393 -0.852,394 -1.645,395 -0.601,396 0.657,397 -0.84,398 2,399 0.153,400 -0.84,401 -1.258,402 -2.062,403 -0.833,404 0.5,405 -1,406 2,407 -0.03,408 -1,409 -1.5,411 -2.551,412 -0.968,413 0.009,414 -1.265,415 1.574,416 -0.412,417 -1.349,418 -1.825,420 -3.402,421 -1.246,422 -0.11,423 -1.5,424 1.311,425 -0.567,426 -1.515,427 -2.139,429 -4.383,430 -1.448,431 -0.375,432 -1.865,433 1.07,434 -0.885,435 -1.866,436 -2.604,438 -5.333,439 -1.817,440 7.6,441 0.475,442 0.329,443 0.021,444 25.25,445 1.578,446 14.5,447 0.906,448 10.75,449 0.672,450 7.699,451 0.481,452 15.8,453 0.608,454 14.504,455 0.907,456 5.091,457 0.318,458 2.753,459 0.172,460 0.053,462 0.329,466 1.134,467 1.116,468 0.747,469 0.81,470 1.217,471 0.738,472 0.632,473 0.941,474 0.791,475 0.951,476 0.517,477 0.905,478 1.082,479 1.022,480 0.97,481 0.955,482 0.861,483 0.947,484 0.909,485 1.106,486 1.107,487 1.191,488 0.907,489 1.18,490 0.977,491 1.12,492 1.04,493 1.116,494 0.923,495 1.093,496 0.957,497 0.943,498 1.014,499 0.995,500 1.072,501 1.01,502 1.411,503 0.997,504 1.294,505 1.061,506 1.479,507 1.141,508 1.218,509 0.852,510 1.159,511 0.944,512 1.578,513 1.023,514 2.5,516 1.778,517 1.069,518 0.609,519 0.24,520 0.216,521 0.071,522 0.02,524 1975,525 5366,526 2.174,527 38.5,529 5,530 1,531 1,532 3,536 1.553,537 2.087,538 2.736,539 1.25,543 1,545 37.973,546 1.46,547 3.238,548 4.1,549 4.547,550 4.624,551 4.624,552 2.18,553 3.75,554 3.976,555 2.782,556 333.787,557 6.704,558 2802.14,560 1,563 122.211,564 1.198,565 3.954,566 0.139,568 0.071,569 0.046,570 0.032,571 0.016,572 0.018,573 0.012,574 0.01,576 0.345,577 0.67,578 1,579 0.5,580 63.029,581 -0.205,582 -0.013,583 0.013,584 0.09,585 -0.303,586 0.085,587 0.258,588 0.123,589 0.009,590 -0.027,591 0.227,592 -0.042,593 -0.177,594 -0.032,595 -0.07,596 -0.001,597 -0.077,598 -0.016,599 -0.043,600 -0.135,601 -0.208,602 -0.234,603 -0.093,604 -0.243,605 -0.074,606 -0.207,607 -0.046,608 -0.134,609 -0.024,610 -0.095,611 0.151,612 -0.003,613 0.03,614 -0.042,615 0.076,616 -0.028,617 -0.275,618 -0.087,619 -0.206,620 -0.103,621 -0.195,622 -0.136,623 -0.118,624 -0.037,625 0.055,626 0.072,627 -0.145,628 0.086,629 1.372,630 1.576,631 0.938,632 8.031,633 1.002,634 1.125,635 1.617,636 2.614,637 0.704,638 2.944,639 3.258,640 3.555,641 3.85,642 4.025,643 4.025,644 4.094,645 4.143,646 3.951,647 3.871,648 3.935,649 0.679,650 210.26,651 2.944,652 4.466,653 5.323,654 6.205,655 7.081,656 7.97,657 8.854,658 9.745,659 10.632,660 11.525,661 15.4,665 1,669 1,671 2,674 2,675 7,676 2,677 1,680 3,682 16,691 1,699 26,700 16,701 1,702 18,704 28,705 12,706 12,707 2,708 4,710 3,711 4,721 12,733 1,736 10,737 3,738 3,739 4,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,785 16,786 1,808 7.667,809 4.567,810 3.5,811 1.411,812 3.181,813 1.503,814 1.071,815 2.031,816 9.5,817 3.296,818 3.966,819 4.638,820 5.302,821 5.834,822 6.143,823 6.585,824 7.011,825 7.123,826 7.434,827 1,828 23,829 5.835,831 2.467,832 7.677,833 11.11,835 9.065,837 2.177,838 34.833,839 0.003,842 82.398,843 78.035,844 83.254,849 78.035,850 82.398,851 83.254,854 89.326,855 45.342,856 34.348,857 15.814,858 58.856,860 82.398,861 161.288,865 82.398,869 30.489,870 97.229,871 33.571,873 82.398,874 83.254,875 78.035,878 82.398,879 12.559,880 65.476,881 16.786,882 66.468,883 82.398,884 83.254,885 78.035,887 0.577,888 0.341,889 0.196,890 0.105,891 14,892 5,893 0.036,894 1,895 1,896 1.133,897 2.895,898 113.278,899 0.133,900 15,901 64,904 9.218,905 3.524,906 1.539,907 2.232,908 66.468,909 13.544,910 8.099,911 3.205,914 2.178,916 49.683,917 243.686,918 26,926 26.058,927 29.239,928 0.311,929 0.689,930 0.872,931 0.967,932 0.984,933 0.984,934 4.489,935 0.485,936 5.293,937 2.426,938 3.932,939 4.649,941 6.107,942 3.861,943 5.714,944 -0.398,945 6.845,946 1.165,947 3.434,948 4.407,950 7.018,951 3.338,952 7.026,953 -0.633,954 8.502,955 -0.885,956 5.509,957 6.953,959 10.156,960 5.383,961 8.382,962 -0.84,963 10.226,964 -1.645,965 5.889,966 7.618,968 11.965,969 5.751,970 9.773,971 -1,972 11.994,973 -2.062,974 7.407,975 9.57,977 14.603,978 7.244,979 11.192,980 -1.349,981 13.792,982 -2.551,983 8.2,984 10.675,986 16.76,987 8.032,988 12.631,989 -1.515,990 15.613,991 -3.402,992 9.487,993 12.369,995 19.235,996 9.299,997 3.156,998 -1.866,999 17.451,1000 -4.383,1001 10.472,1002 13.688,1004 21.528,1005 10.279,1006 2.585,1007 10.902,1008 19.302,1009 -5.333,1010 11.666,1011 15.271,1013 23.947,1014 11.456,1015 2.103,1016 7.878,1017 21.162,1018 4.531,1019 12.738,1020 16.691,1022 26.296,1023 12.52,1024 1.547,1025 5.914,1026 23.03,1027 3.657,1028 13.897,1029 18.227,1031 28.695,1032 13.665,1033 1.484,1034 4.223,1035 24.904,1036 2.862,1037 15.009,1038 19.693,1040 31.067,1041 14.766,1042 1.194,1043 3.466,1044 26.784,1045 2.319,1046 16.156,1047 21.211,1049 33.459,1050 15.9,1051 1,1052 2.68,1053 28.667,1054 2.166,1055 17.286,1056 22.7,1058 35.84,1059 17.017,1060 1923,1061 3248,1062 12.425,1063 18.307,1064 27.389,1065 27.017,1066 27.777,1067 27.133,1068 27.109,1069 39.018,1071 77.306,1072 26.094,1073 5.248,1074 5.157,1075 6.391,1076 5.21,1077 5.156,1078 7.531,1080 18.054,1081 5.104,1082 4.574,1083 1.522,1084 1.501,1085 1.543,1086 1.507,1087 1.506,1088 2.168,1090 4.295,1091 1.45,1092 4.135,1093 4.169,1094 4.098,1095 4.052,1096 5.238,1097 4.059,1098 3.782,1099 3.839,1100 3.738,1101 3.622,1102 4.964,1103 3.642,1104 3.379,1105 3.442,1106 3.278,1107 3.233,1108 4.586,1109 3.238,1110 3.041,1111 3.147,1112 2.91,1113 2.828,1114 4.293,1115 2.834,1116 2.926,1117 2.993,1118 2.797,1119 2.736,1120 3.928,1121 2.748,1122 2.588,1123 2.672,1124 2.494,1125 2.383,1126 3.677,1127 2.399,1128 2.406,1129 2.485,1130 2.241,1131 2.247,1132 3.443,1133 2.239,1134 2.229,1135 2.373,1136 1.973,1137 1.793,1138 3.134,1139 1.813,1140 0.255,1141 0.175,1142 0.373,1143 0.23,1144 0.175,1145 4.594,1146 0.252,1147 3.157,1149 6.709,1150 0.606,1151 4.139,1152 0.172,1153 3.156,1154 4.531,1156 10.902,1157 3.104,1158 1.947,1159 1.924,1160 2.034,1161 2.03,1162 1.161,1163 2.031,1164 1.76,1165 1.714,1166 1.855,1167 1.944,1168 0.866,1169 1.922,1170 1.398,1171 1.334,1172 1.554,1173 1.632,1174 0.537,1175 1.616,1176 1.025,1177 0.966,1178 1.261,1179 1.308,1180 0.282,1181 1.309,1182 0.929,1183 0.834,1184 1.17,1185 1.143,1186 0.118,1187 1.157,1188 0.76,1189 0.69,1190 1.069,1191 0.951,1193 0.996,1194 0.398,1195 0.317,1196 0.673,1197 0.674,1199 0.672,1200 0.15,1202 0.53,1203 0.552,1205 0.562,1206 3.611,1208 4.92,1209 2.398,1210 6.438,1211 4.727,1212 8.048,1213 6.843,1214 9.705,1220 5.576,1231 17.666,1232 37.973,1233 84.195,1234 106.602,1235 118.211,1236 120.211,1237 120.211,1238 13.719,1239 6.319,1240 67.59,1241 67.59,1242 17,1243 12.053,1244 4.087,1245 3.17,1246 21.717,1247 37,1248 32,1249 0.3,1250 110.384,1251 171.9,1252 261.096,1253 3827,1255 10.958,1256 0.685,1257 0.532,1258 10.958,1259 8.513,1260 7.843,1261 0.436,1262 0.277,1263 4.936,1264 7.604,1265 4.846,1266 4.03,1267 7.843,1268 4.994,1269 6.981,1270 0.279,1271 0.142,1272 6.981,1273 3.548,1274 5.971,1275 0.176,1276 0.075,1277 5.971,1278 2.539,1279 5.234,1280 0.114,1281 0.039,1282 5.234,1283 1.807,1284 4.107,1285 0.075,1286 0.021,1287 4.107,1288 1.149,1289 0.442,1290 48.665,1291 0.284,1292 15.827,1293 0.905,1294 86,1295 228.935,1296 92.689,1297 231.83,1298 328.81,1299 218,1300 102,1301 255.099,1302 108.328,1303 261.104,1304 381.18,1305 247,1306 6.155} {0 CHEMBL485053,1 1.734,2 7.333,3 0.734,4 0.539,5 64.57,6 8.457,7 0.3,8 3.534,9 3.632,10 3.203,11 2.992,12 4.76,13 3.039,14 4.036,15 4.172,16 3.589,17 3.359,18 5.292,19 3.4,20 4.085,21 4.224,22 3.508,23 3.398,24 5.404,25 3.403,26 4.146,27 4.331,28 3.221,29 3.298,30 5.392,31 3.246,32 3.954,33 4.181,34 3.056,35 3.082,36 5.074,37 3.034,38 3.767,39 3.959,40 3.06,41 2.926,42 4.99,43 2.931,44 3.661,45 3.819,46 3.007,47 2.805,48 5.007,49 2.812,50 3.652,51 3.887,52 2.752,53 2.603,54 4.86,55 2.563,56 0.117,57 0.445,58 4.761,59 2.31,60 9.834,61 2.553,62 0.447,63 0.674,64 10.24,65 3.867,66 20.985,67 4.335,68 0.298,69 0.706,70 9.91,71 4.182,72 21.106,73 4.851,74 0.438,75 0.679,76 12.657,77 4.403,78 51.748,79 5.306,80 0.322,81 0.549,82 11.823,83 3.845,84 31.01,85 5.151,86 0.288,87 0.468,88 8.98,89 2.883,90 25.202,91 3.676,92 0.323,93 0.42,94 7.199,95 2.475,96 25.158,97 3.101,98 0.344,99 0.366,100 9.071,101 2.643,102 29.117,103 3.825,104 10,105 29,106 0.333,107 0.732,108 0.817,109 0.861,110 0.875,111 0.875,112 2.961,113 0.808,114 -2.71,115 -2.73,116 -2.65,119 41.4,123 1,125 1,130 1,132 1,133 3,134 1,135 2,147 1,148 1,152 1,153 1,154 1,159 4,161 3,162 3,163 2,164 2,168 4,171 1,172 7,178 2,182 7,184 1,185 1,187 1,192 1,194 6,199 1,204 1,205 1,206 2,211 2,215 2,216 3,222 1,226 1,228 2,231 1,232 1,244 1,245 1,255 318,256 12.016,257 12.016,258 12.016,259 12.016,260 12.016,261 10.782,262 15.533,263 6.858,264 12.333,265 9.83,266 9.83,267 9.83,268 9.83,269 9.83,270 7.789,271 17.841,272 3.244,273 10.321,274 3.124,275 1.047,276 0.604,277 0.371,278 0.302,279 0.302,280 3.633,284 1,285 287,286 2.121,288 85.278,289 42.153,291 67.567,295 1.111,296 21.622,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 40.5,307 132,308 4.439,309 3.803,310 6.574,311 4.079,312 3.123,313 3.985,314 1.392,315 10.206,316 2.988,317 4.268,318 3.305,319 6.193,320 3.881,321 2.93,322 3.76,323 1.385,324 9.252,325 2.78,326 3.665,327 2.785,328 5.486,329 3.3,330 2.332,331 2.964,332 0.986,333 7.07,334 2.246,335 3.295,336 2.476,337 5.105,338 2.857,339 1.892,340 2.439,341 0.532,342 5.725,343 1.812,344 2.97,345 2.007,346 4.583,347 2.487,348 1.537,349 2.028,350 0.226,351 4.366,352 1.451,353 2.885,354 1.982,355 4.361,356 2.473,357 1.533,358 1.981,360 4.19,361 1.432,362 2.202,363 1.675,364 3.455,365 2.092,366 1.098,367 1.181,369 2.452,370 1.09,371 1.881,372 1.267,373 3.15,374 1.46,375 0.508,376 0.617,378 1.23,379 0.478,380 1.647,381 0.79,382 2.955,383 1.242,384 0.249,385 0.328,386 0.578,387 0.244,388 1.021,389 0.08,390 2.406,391 0.75,392 -0.209,393 -0.241,394 -0.547,395 -0.199,396 0.678,397 -0.264,398 2.359,399 0.243,400 -0.722,401 -0.966,402 -1.867,403 -0.692,404 0.469,405 -0.581,406 2.123,407 0.081,408 -0.907,409 -1.184,411 -2.511,412 -0.889,413 0.262,414 -0.593,415 1.691,416 -0.137,417 -1.157,418 -1.343,420 -3.009,421 -1.137,422 -0.14,423 -0.821,424 1.513,425 -0.354,426 -1.286,427 -1.539,429 -3.194,430 -1.226,431 -0.437,432 -1.158,433 1.339,434 -0.689,435 -1.601,436 -1.823,438 -4.626,439 -1.435,440 8.2,441 0.456,442 0.524,443 0.029,444 24.25,445 1.347,446 11.5,447 0.639,448 12.75,449 0.708,450 10.749,451 0.597,452 19.4,453 0.669,454 16.281,455 0.905,456 5.133,457 0.285,458 3.515,459 0.195,460 0.15,462 0.415,466 0.893,467 1.394,468 0.675,469 1.123,470 0.768,471 0.878,472 0.94,473 0.699,474 0.726,475 0.691,476 0.641,477 0.658,478 0.95,479 1.226,480 0.987,481 1.214,482 0.896,483 1.126,484 1.159,485 1.041,486 1.33,487 1.144,488 1.39,489 1.258,490 0.913,491 0.969,492 0.903,493 0.926,494 1.072,495 0.915,496 1.028,497 1.053,498 0.888,499 0.935,500 1.216,501 0.88,502 0.798,503 1.259,504 1.022,505 1.256,506 1.127,507 1.212,508 0.581,509 0.952,510 0.814,511 1.048,512 0.695,513 1.005,514 4,516 2.444,517 1.771,518 0.613,519 0.469,520 0.319,521 0.24,522 0.171,523 0.049,524 2856,525 9292,526 2.086,527 37.9,529 7,530 2,532 2,536 1.584,537 1.929,538 2.919,539 0.483,541 1,543 1,545 50.298,546 1.734,547 3.811,548 4.254,549 4.487,550 4.556,551 4.556,552 2.261,553 3.837,554 4.148,555 3.028,556 463.268,557 7.024,558 4340.99,560 1,563 140.881,564 1.481,565 4.09,566 0.2,568 0.084,569 0.068,570 0.034,571 0.029,572 0.02,573 0.017,574 0.017,575 0.012,576 0.482,577 0.67,578 1,579 0.662,580 75.849,581 -0.132,582 -0.229,583 0.041,584 -0.117,585 -0.163,586 -0.004,587 0.089,588 0.381,589 0.139,590 0.277,591 0.045,592 0.228,593 -0.105,594 -0.162,595 -0.165,596 -0.222,597 0.021,598 -0.208,599 -0.217,600 -0.072,601 -0.388,602 -0.18,603 -0.179,604 -0.303,605 -0.082,606 -0.071,607 0.121,608 0.065,609 -0.063,610 0.136,611 -0.072,612 -0.089,613 0.091,614 0.02,615 -0.057,616 0.087,617 0.247,618 -0.251,619 -0.094,620 -0.326,621 0.002,622 -0.314,623 0.409,624 -0.091,625 0.293,626 -0.11,627 0.248,628 0.027,629 1.884,630 4.761,631 0.778,632 10.333,633 1.028,634 1.13,635 1.485,636 2.205,637 0.67,638 3.045,639 3.401,640 3.689,641 3.912,642 3.989,643 3.989,644 4.094,645 4.22,646 4.19,647 4.22,648 4.633,649 0.666,650 245.26,651 3.045,652 4.595,653 5.46,654 6.344,655 7.22,656 8.106,657 8.985,658 9.87,659 10.75,660 11.635,661 10.3,662 1,668 1,670 1,675 3,680 3,682 6,697 2,699 29,700 9,701 1,702 20,704 31,705 12,706 6,707 3,708 3,709 4,710 3,711 4,714 1,721 10,722 2,724 3,728 1,729 1,730 1,731 3,733 1,736 11,737 6,738 2,739 6,743 3,747 0.667,748 3,759 2,760 1,762 1,767 1,770 2,772 1,777 2,781 1,785 18,786 1,789 1,791 2,794 1,801 10.3,804 1,806 2,808 9.333,809 5.567,810 3.861,811 1.511,812 2.182,813 1.336,814 0.997,815 2.576,816 8.666,817 3.296,818 3.882,819 4.446,820 4.948,821 5.405,822 5.65,823 6.03,824 6.422,825 6.653,826 6.802,827 0.8,828 26,829 6.607,831 2.847,832 7.972,833 12.231,835 9.857,837 2.472,838 44.5,839 0.001,842 105.94,843 75.985,844 52.807,846 47.145,849 75.985,850 153.085,851 52.807,852 8.396,853 42.672,854 37.905,855 32.606,856 52.458,857 25.441,858 82.398,860 105.94,861 128.792,862 47.145,865 105.94,866 47.145,869 59.457,870 57.101,871 12.233,873 105.94,874 99.952,875 75.985,878 105.94,879 29.683,880 49.426,882 96.827,883 105.94,884 99.952,885 75.985,887 0.598,888 0.361,889 0.183,890 0.085,891 16,892 7,893 0.032,894 1,895 1,896 1.143,897 3.066,898 131.524,899 0.143,900 14,901 75.059,904 11.258,905 4.118,906 1.91,908 99.952,909 5.426,914 2.185,916 32.897,917 281.876,918 26,922 11.761,923 1.667,924 3.999,925 0.297,926 29.822,927 32.784,928 0.357,929 0.784,930 0.876,931 0.924,932 0.938,933 0.938,934 4.559,935 0.508,936 5.468,937 2.452,938 4.078,939 4.564,940 2.379,941 6.297,942 3.987,943 5.778,944 0.249,945 7.048,946 1.23,947 3.761,948 4.425,949 0.81,950 7.2,951 3.617,952 7.1,953 -0.209,954 8.725,955 0.578,956 5.7,957 6.717,958 2.754,959 10.295,960 5.519,961 8.457,962 -0.722,963 10.454,964 -0.547,965 6.196,966 7.353,967 1.504,968 12,969 5.954,970 9.844,971 -0.907,972 12.217,973 -1.867,974 7.623,975 9.147,976 3.266,977 14.6,978 7.35,979 11.251,980 -1.157,981 14.002,982 -2.511,983 8.474,984 10.136,985 2.175,986 16.64,987 8.139,988 12.673,989 -1.286,990 15.803,991 -3.009,992 9.709,993 11.718,994 3.842,995 19.059,996 9.341,997 3.123,998 -1.601,999 17.618,1000 -3.194,1001 10.713,1002 12.883,1003 2.847,1004 21.244,1005 10.287,1006 2.93,1007 10.206,1008 19.442,1009 -4.626,1010 11.874,1011 14.363,1012 4.453,1013 23.593,1014 11.411,1015 2.332,1016 9.252,1017 21.274,1018 3.985,1019 12.944,1020 15.619,1021 3.517,1022 25.843,1023 12.428,1024 1.892,1025 7.07,1026 23.112,1027 3.76,1028 14.078,1029 17.046,1030 5.083,1031 28.165,1032 13.522,1033 1.537,1034 5.725,1035 24.956,1036 2.964,1037 15.177,1038 18.351,1039 4.185,1040 30.445,1041 14.57,1042 1.533,1043 4.366,1044 26.804,1045 2.439,1046 16.302,1047 19.752,1048 5.725,1049 32.757,1050 15.653,1051 1.098,1052 4.19,1053 28.656,1054 2.028,1055 17.413,1056 21.084,1057 4.849,1058 35.051,1059 16.717,1060 2780,1061 5106,1062 13.235,1063 19.426,1064 31.105,1065 32.313,1066 31.526,1067 30.462,1068 30.406,1069 38.566,1070 9.039,1071 90.135,1072 29.041,1073 5.256,1074 5.803,1075 6.086,1076 5.121,1077 5.123,1078 6.985,1079 2.783,1080 17.142,1081 4.988,1082 8.562,1083 1.555,1084 1.616,1085 1.576,1086 1.523,1087 1.52,1088 1.928,1089 0.452,1090 4.507,1091 1.452,1092 3.995,1093 4.014,1094 3.958,1095 3.896,1096 7.428,1097 3.906,1098 3.804,1099 3.842,1100 3.772,1101 3.593,1102 5.139,1103 3.633,1104 3.344,1105 3.379,1106 3.248,1107 3.109,1108 5.004,1109 3.137,1110 3.092,1111 3.187,1112 2.934,1113 2.877,1114 4.478,1115 2.878,1116 3.031,1117 3.122,1118 2.875,1119 2.725,1120 4.223,1121 2.731,1122 2.844,1123 2.891,1124 2.707,1125 2.651,1126 3.979,1127 2.67,1128 2.655,1129 2.701,1130 2.499,1131 2.437,1132 3.855,1133 2.445,1134 2.379,1135 2.444,1136 2.227,1137 2.121,1138 3.473,1139 2.142,1140 0.222,1141 0.19,1142 0.329,1143 0.204,1144 0.156,1145 4.439,1146 0.199,1147 3.803,1148 0.07,1149 6.574,1150 0.51,1151 4.079,1152 0.149,1153 3.123,1154 3.985,1155 1.392,1156 10.206,1157 2.988,1158 1.891,1159 1.876,1160 1.975,1161 1.97,1162 1.098,1163 1.971,1164 1.472,1165 1.439,1166 1.689,1167 1.764,1168 0.737,1169 1.738,1170 1.422,1171 1.352,1172 1.52,1173 1.62,1174 0.585,1175 1.59,1176 1.157,1177 1.124,1178 1.435,1179 1.517,1180 0.555,1181 1.483,1182 0.952,1183 0.846,1184 1.288,1185 1.287,1186 0.154,1187 1.306,1188 0.794,1189 0.742,1190 1.081,1191 0.992,1192 0.05,1193 1.021,1194 0.729,1195 0.696,1196 0.86,1197 0.979,1199 0.943,1200 0.372,1201 0.285,1202 0.679,1203 0.757,1205 0.743,1206 3.714,1208 5.056,1209 3.045,1210 6.578,1211 5.416,1212 8.177,1213 7.486,1214 9.816,1216 1.585,1220 5.572,1222 0.224,1224 10.478,1227 1.304,1231 19.316,1232 50.298,1233 110.517,1234 123.372,1235 130.127,1236 132.127,1237 132.127,1238 23.437,1239 6.485,1240 79.37,1241 79.37,1242 16,1243 12.168,1244 3.322,1245 2.807,1246 25.822,1247 51,1248 36,1249 0.26,1250 118.506,1251 211.71,1252 280.914,1253 4792,1255 12.698,1256 0.705,1257 0.54,1258 12.698,1259 9.713,1260 8.648,1261 0.432,1262 0.269,1263 5.25,1264 8.135,1265 5.128,1266 4.248,1267 8.648,1268 5.385,1269 8.057,1270 0.278,1271 0.137,1272 8.057,1273 3.976,1274 7.179,1275 0.184,1276 0.072,1277 7.179,1278 2.802,1279 5.607,1280 0.114,1281 0.036,1282 5.607,1283 1.777,1284 3.994,1285 0.075,1286 0.02,1287 3.994,1288 1.05,1289 0.397,1290 55.6,1291 0.275,1292 17.929,1293 0.736,1294 98,1295 347.809,1296 113.183,1297 324.941,1298 442.41,1299 304,1300 117,1301 327.376,1302 132.656,1303 328.502,1304 484.15,1305 306,1306 6.041} {0 CHEMBL489967,1 1.459,2 8.577,3 3.621,4 13.113,5 100.789,6 7.477,7 0.414,8 3.961,9 4.057,10 3.526,11 3.518,12 5.094,13 3.503,14 4.496,15 4.646,16 3.915,17 3.933,18 5.571,19 3.903,20 4.812,21 4.991,22 4.067,23 4.108,24 5.869,25 4.063,26 4.919,27 5.109,28 4.13,29 4.106,30 6.198,31 4.056,32 4.896,33 5.087,34 4.029,35 4.081,36 6.005,37 4.035,38 4.862,39 5.036,40 3.962,41 4.047,42 6.097,43 3.99,44 4.781,45 4.976,46 3.805,47 3.964,48 5.941,49 3.885,50 4.692,51 4.891,52 3.495,53 3.793,54 5.863,55 3.682,56 0.059,57 0.62,58 9.572,59 4.637,60 12.419,61 5.587,62 0.118,63 1.056,64 17.715,65 7.644,66 16.796,67 9.719,68 0.238,69 1.362,70 26.235,71 10.565,72 38.221,73 13.478,74 0.867,75 1.442,76 31.004,77 11.496,78 103.394,79 14.994,80 0.446,81 1.402,82 30.377,83 11.136,84 65.345,85 13.868,86 0.686,87 1.337,88 29.368,89 10.679,90 95.485,91 12.998,92 0.371,93 1.26,94 26.813,95 10.157,96 66.806,97 12.836,98 0.481,99 1.123,100 25.351,101 8.983,102 87.818,103 11.134,104 17,105 42,106 0.249,107 0.608,108 0.772,109 0.856,110 0.873,111 0.873,112 3.306,113 0.915,114 -4.02,115 -3.97,116 -3.76,119 44.7,121 3,123 1,124 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 8,162 9,166 4,168 13,172 3,178 6,181 2,182 9,185 4,186 1,187 4,190 9,194 4,199 1,202 7,205 1,206 6,209 2,211 5,213 9,217 4,222 5,224 8,229 3,234 5,237 8,242 1,247 2,250 6,255 976,256 17.552,257 17.552,258 17.552,259 17.552,260 17.552,261 15.731,262 18.712,263 10.255,264 17.794,265 14.311,266 14.311,267 14.311,268 14.311,269 14.311,270 11.501,271 26.079,272 4.855,273 14.735,274 4.095,275 1.993,276 1.033,277 0.543,278 0.442,279 0.442,280 4,283 1,284 1,285 485,286 2.236,289 260.571,292 100.805,295 1.148,296 34.506,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 56.5,307 223,308 4.676,309 3.712,310 7.07,311 4.323,312 3.35,313 4.377,314 0.916,315 12.183,316 3.26,317 4.209,318 3.383,319 6.473,320 3.886,321 2.913,322 3.736,323 0.86,324 9.927,325 2.838,326 3.998,327 2.989,328 6.119,329 3.701,330 2.725,331 3.352,332 0.172,333 8.948,334 2.659,335 3.584,336 2.84,337 5.635,338 3.297,339 2.329,340 2.868,342 7.111,343 2.245,344 3.389,345 2.394,346 5.186,347 3.009,348 2.065,349 2.558,351 6.07,352 1.942,353 3.224,354 2.346,355 4.824,356 2.749,357 1.771,358 2.442,360 5,361 1.719,362 3.047,363 1.891,364 4.441,365 2.65,366 1.664,367 2.153,369 4.286,370 1.623,371 2.59,372 1.616,373 4.184,374 2.391,375 1.414,376 1.565,378 3.487,379 1.379,380 2.5,381 1.472,382 3.614,383 2.291,384 1.329,385 1.5,386 2.958,387 1.272,388 2.414,389 1.196,390 3.529,391 2.047,392 1.076,393 1.414,394 2.638,395 1.038,396 2.358,397 1,398 3.323,399 2,400 1,401 1.344,402 2.136,403 1,404 1.488,405 0.784,406 3.247,407 1.274,408 0.328,409 0.36,411 0.856,412 0.307,413 1.392,414 0.621,415 3.039,416 0.899,417 -0.089,418 -0.116,420 -0.247,421 -0.086,422 0.926,423 -0.049,424 2.661,425 0.637,426 -0.324,427 -0.355,429 -0.777,430 -0.308,431 0.732,432 -0.072,433 2.418,434 0.484,435 -0.51,436 -0.647,438 -1.269,439 -0.476,440 12.233,441 0.471,442 0.699,443 0.027,444 33,445 1.269,446 16.5,447 0.635,448 16.5,449 0.635,450 22.158,451 0.852,452 27.967,453 0.595,454 25.923,455 0.997,456 6.385,457 0.246,458 6.174,459 0.237,460 0.123,462 0.401,466 0.855,467 1.134,468 0.795,469 1.001,470 0.788,471 0.906,472 0.778,473 1.065,474 0.814,475 1.001,476 0.529,477 0.913,478 0.961,479 1.084,480 0.876,481 1.049,482 0.824,483 0.959,484 0.715,485 0.97,486 0.819,487 0.976,488 0.624,489 0.928,490 1.365,491 0.974,492 0.996,493 0.941,494 1.183,495 0.906,496 1.449,497 0.959,498 1.179,499 0.968,500 1.43,501 1.021,502 1.242,503 1.083,504 1.133,505 1.092,506 1.441,507 1.093,508 1.581,509 1.087,510 1.435,511 1.111,512 1.968,513 1.226,514 4.5,515 0.029,516 3.111,517 2.5,518 2.013,519 1.271,520 0.955,521 0.458,522 0.173,523 0.073,524 6911,525 17433,526 2.101,527 44.7,528 2,529 13,532 2,534 4,536 1.7,537 1.95,538 3.064,539 0.213,541 1,545 68.588,546 1.459,547 3.561,548 4.522,549 5.012,550 5.113,551 5.113,552 2.44,553 4.47,554 4.673,555 3.177,556 1032.58,557 8.149,558 12240.2,560 1,562 1,563 261.066,564 1.46,565 4.624,566 0.155,567 0.006,568 0.074,569 0.053,570 0.043,571 0.029,572 0.024,573 0.013,574 0.008,575 0.006,576 0.41,577 0.5,578 1,579 0.596,580 122.986,581 -0.08,582 -0.024,583 0.026,584 0.048,585 -0.088,586 0.053,587 -0.04,588 0.041,589 0.057,590 0.004,591 0.051,592 0.048,593 -0.045,594 -0.06,595 0.06,596 -0.057,597 -0.021,598 0.011,599 0.424,600 0.014,601 0.176,602 -0.004,603 0.344,604 0.031,605 -0.154,606 0.001,607 0.007,608 0.029,609 -0.106,610 0.046,611 -0.091,612 0.015,613 -0.17,614 -0.001,615 -0.071,616 -0.089,617 -0.154,618 -0.109,619 -0.151,620 -0.114,621 -0.12,622 -0.129,623 -0.306,624 -0.127,625 -0.419,626 -0.155,627 -0.339,628 -0.285,629 1.984,630 5.706,631 0.846,632 19.195,633 1.005,634 1.117,635 2.785,636 7.757,637 0.669,638 3.401,639 3.761,640 4.094,641 4.431,642 4.71,643 4.844,644 4.997,645 5.124,646 5.209,647 5.204,648 5.181,649 0.641,650 351.43,651 3.401,652 4.963,653 5.844,654 6.753,655 7.655,656 8.575,657 9.485,658 10.409,659 11.325,660 12.252,661 2.1,664 1,675 6,680 6,682 12,686 1,696 2,697 1,699 47,700 14,701 2,702 29,704 50,705 21,706 12,707 6,708 6,709 3,710 4,711 5,716 4,719 4,721 15,722 6,724 2,728 1,729 1,731 2,732 1,733 1,736 21,737 5,738 2,739 5,743 1,747 0.75,748 4,760 4,763 1,770 2,774 1,777 3,781 1,785 26,788 2,789 4,791 1,793 1,794 1,801 8.5,803 2,804 1,806 1,808 13.333,809 8.6,810 5.639,811 2.911,812 2.629,813 1.347,814 0.952,815 4.469,816 10.204,817 3.638,818 4.234,819 4.832,820 5.424,821 5.968,822 6.286,823 6.64,824 7.007,825 7.343,826 7.591,827 0.833,828 47,829 9.722,831 4.342,832 7.853,833 18.422,835 15.707,837 2.353,838 61.167,841 1,842 223.651,843 109.616,844 3.124,846 121.512,849 109.616,850 345.162,851 3.124,852 8.396,853 9.709,854 66.334,855 120.889,856 28.924,858 223.651,860 223.651,861 112.741,862 121.512,865 176.567,866 168.596,869 12.834,870 85.187,871 14.72,873 223.651,874 124.636,875 109.616,878 223.651,879 34.886,880 77.854,882 121.512,883 223.651,884 124.636,885 109.616,887 0.588,888 0.358,889 0.208,890 0.117,891 22,892 10,893 0.04,894 2,895 1,896 1.091,897 3.601,898 238.01,899 0.091,900 22,901 118.211,904 17.132,905 6.783,906 3.032,908 124.636,909 10.602,914 1.45,916 85.367,917 457.903,918 37,922 12.706,923 1.392,925 0.107,926 47.247,927 52.488,928 0.263,929 0.641,930 0.814,931 0.902,932 0.92,933 0.92,934 4.905,935 1.414,936 5.849,937 4.286,938 4.443,939 4.92,940 1.382,941 6.727,942 4.384,943 6.117,944 1.329,945 7.448,946 3.487,947 4.111,948 4.771,949 0.325,950 7.763,951 4.01,952 7.439,953 1.076,954 9.153,955 2.958,956 6.089,957 7.096,958 1.115,959 10.937,960 5.977,961 8.796,962 1,963 10.919,964 2.638,965 6.581,966 7.766,967 0.393,968 12.82,969 6.43,970 10.188,971 0.328,972 12.726,973 2.136,974 8.052,975 9.593,976 0.921,977 15.523,978 7.888,979 11.605,980 -0.089,981 14.56,982 0.856,983 8.923,984 10.656,985 0.384,986 17.754,987 8.725,988 13.043,989 -0.324,990 16.415,991 -0.247,992 10.202,993 12.276,994 0.764,995 20.303,996 9.985,997 3.35,998 -0.51,999 18.285,1000 -0.777,1001 11.247,1002 13.537,1003 0.351,1004 22.681,1005 10.999,1006 2.913,1007 12.183,1008 20.168,1009 -1.269,1010 12.456,1011 15.067,1012 0.634,1013 25.182,1014 12.186,1015 2.725,1016 9.927,1017 22.059,1018 4.377,1019 13.579,1020 16.427,1021 0.312,1022 27.623,1023 13.279,1024 2.329,1025 8.948,1026 23.959,1027 3.736,1028 14.768,1029 17.919,1030 0.525,1031 30.113,1032 14.444,1033 2.065,1034 7.111,1035 25.866,1036 3.352,1037 15.927,1038 19.331,1039 0.273,1040 32.582,1041 15.575,1042 1.771,1043 6.07,1044 27.778,1045 2.868,1046 17.114,1047 20.807,1048 0.433,1049 35.071,1050 16.735,1051 1.664,1052 5,1053 29.695,1054 2.558,1055 18.291,1056 22.247,1057 0.236,1058 37.554,1059 17.885,1060 6626,1061 10678,1062 19.304,1063 31.438,1064 44.566,1065 45.565,1066 46.056,1067 43.982,1068 43.927,1069 55.337,1070 3.898,1071 131.201,1072 42.561,1073 5.676,1074 5.712,1075 6.872,1076 5.423,1077 5.35,1078 7.377,1079 1.776,1080 19.801,1081 5.26,1082 12.313,1083 1.537,1084 1.571,1085 1.588,1086 1.517,1087 1.515,1088 1.908,1089 0.134,1090 4.524,1091 1.468,1092 4.06,1093 4.073,1094 4.027,1095 3.971,1096 7.428,1097 3.982,1098 3.885,1099 3.921,1100 3.816,1101 3.821,1102 6.491,1103 3.816,1104 3.772,1105 3.813,1106 3.665,1107 3.636,1108 6.445,1109 3.635,1110 3.452,1111 3.465,1112 3.39,1113 3.327,1114 4.858,1115 3.338,1116 3.244,1117 3.347,1118 3.06,1119 3.023,1120 4.625,1121 3.019,1122 3.153,1123 3.208,1124 3.006,1125 2.99,1126 4.351,1127 2.978,1128 2.964,1129 2.993,1130 2.844,1131 2.794,1132 4.055,1133 2.801,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.804,1139 2.715,1140 0.161,1141 0.128,1142 0.244,1143 0.149,1144 0.116,1145 4.676,1146 0.151,1147 3.712,1148 0.032,1149 7.07,1150 0.42,1151 4.323,1152 0.112,1153 3.35,1154 4.377,1155 0.916,1156 12.183,1157 3.26,1158 1.989,1159 1.979,1160 2.089,1161 2.102,1162 1.433,1163 2.095,1164 1.889,1165 1.859,1166 2.028,1167 1.994,1168 1.145,1169 2.007,1170 1.75,1171 1.704,1172 1.891,1173 1.895,1174 1.059,1175 1.897,1176 1.404,1177 1.387,1178 1.607,1179 1.562,1180 0.79,1181 1.559,1182 1.245,1183 1.144,1184 1.537,1185 1.515,1186 0.734,1187 1.542,1188 1.15,1189 1.09,1190 1.447,1191 1.354,1192 0.563,1193 1.388,1194 0.901,1195 0.872,1196 1.181,1197 1.16,1198 0.381,1199 1.147,1200 0.886,1201 0.821,1202 1.179,1203 1.062,1204 0.218,1205 1.107,1206 4.078,1208 5.425,1210 6.989,1212 8.658,1214 10.382,1216 2.001,1221 20.812,1222 3.917,1224 6.076,1226 -0.055,1227 2.157,1231 30.149,1232 68.588,1233 167.375,1234 212.536,1235 235.556,1236 240.311,1237 240.311,1238 56.237,1239 7.574,1240 73.91,1241 73.91,1242 24,1243 12.758,1244 3.907,1245 3.17,1246 37.607,1247 78,1248 88,1249 0.235,1250 181.996,1251 325.66,1252 435.831,1253 18377,1255 18.259,1256 0.702,1257 0.562,1258 18.259,1259 14.605,1260 12.559,1261 0.433,1262 0.305,1263 8.737,1264 12.135,1265 8.544,1266 7.055,1267 12.559,1268 8.844,1269 11.541,1270 0.275,1271 0.163,1272 11.541,1273 6.866,1274 9.942,1275 0.169,1276 0.087,1277 9.942,1278 5.16,1279 9.026,1280 0.109,1281 0.046,1282 9.026,1283 3.828,1284 7.288,1285 0.066,1286 0.025,1287 7.288,1288 2.778,1289 0.351,1290 78.559,1291 0.228,1292 24.236,1293 0.709,1294 142,1295 407.416,1296 154.6,1297 390.937,1298 533.61,1299 364,1300 172,1301 395.082,1302 185.628,1303 398.781,1304 591.32,1305 376,1306 5} {0 CHEMBL490159,1 1.441,2 8.63,3 3.872,4 14.994,5 105.558,6 7.309,7 0.4,8 4.015,9 4.113,10 3.568,11 3.56,12 5.111,13 3.542,14 4.566,15 4.725,16 3.94,17 3.963,18 5.593,19 3.933,20 4.836,21 5.013,22 4.102,23 4.147,24 5.851,25 4.102,26 4.961,27 5.146,28 4.182,29 4.176,30 6.128,31 4.123,32 4.978,33 5.17,34 4.135,35 4.177,36 6.066,37 4.13,38 4.987,39 5.155,40 4.026,41 4.14,42 6.204,43 4.081,44 4.871,45 5.075,46 3.881,47 4.055,48 5.924,49 3.968,50 4.796,51 4.996,52 3.65,53 3.939,54 5.843,55 3.832,56 0.03,57 0.659,58 10.468,59 4.986,60 8.498,61 6.15,62 0.168,63 1.112,64 20.093,65 8.128,66 18.687,67 10.406,68 0.206,69 1.401,70 27.147,71 10.89,72 28.288,73 14.029,74 0.843,75 1.515,76 32.326,77 12.1,78 71.376,79 15.872,80 0.361,81 1.533,82 32.905,83 12.259,84 49.977,85 15.609,86 0.826,87 1.483,88 34.1,89 11.822,90 109.11,91 14.231,92 0.347,93 1.382,94 29.689,95 11.23,96 56.966,97 14.57,98 0.482,99 1.273,100 28.056,101 9.897,102 65.189,103 12.591,104 18,105 43,106 0.243,107 0.597,108 0.785,109 0.856,110 0.866,111 0.866,112 3.342,113 0.923,114 -3.72,115 -3.69,116 -3.51,119 44,121 3,123 2,124 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 8,162 11,166 2,168 13,172 3,178 6,181 4,182 11,185 3,187 2,190 9,194 4,199 1,202 7,205 2,206 8,209 1,211 3,213 9,217 7,222 2,224 8,229 6,234 2,237 8,242 2,247 1,250 6,255 1102,256 18.422,257 18.422,258 18.422,259 18.422,260 18.422,261 16.654,262 20.869,263 10.781,264 18.802,265 14.749,266 14.749,267 14.749,268 14.749,269 14.749,270 11.927,271 29.568,272 5.015,273 15.281,274 4.203,275 2.105,276 0.986,277 0.565,278 0.51,279 0.51,280 4.037,283 1,284 1,285 504,286 2.449,289 273.274,292 105.816,295 1.152,296 31.112,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 58.5,307 233,308 4.683,309 3.72,310 7.082,311 4.329,312 3.357,313 4.384,314 0.916,315 12.244,316 3.264,317 4.209,318 3.383,319 6.493,320 3.888,321 2.916,322 3.736,323 0.86,324 10.02,325 2.839,326 4.01,327 2.991,328 6.127,329 3.712,330 2.74,331 3.361,332 0.86,333 9.001,334 2.664,335 3.595,336 2.898,337 5.639,338 3.297,339 2.329,340 2.896,341 0.172,342 7.125,343 2.247,344 3.414,345 2.533,346 5.294,347 3.067,348 2.13,349 2.559,351 6.413,352 1.985,353 3.23,354 2.35,355 4.868,356 2.749,357 1.771,358 2.456,360 5.074,361 1.719,362 3.069,363 1.893,364 4.456,365 2.675,366 1.699,367 2.176,369 4.35,370 1.64,371 2.593,372 1.672,373 4.222,374 2.392,375 1.414,376 1.569,378 3.561,379 1.38,380 2.5,381 1.475,382 3.621,383 2.309,384 1.351,385 1.5,386 2.964,387 1.287,388 2.414,389 1.26,390 3.545,391 2.063,392 1.096,393 1.414,394 2.659,395 1.053,396 2.381,397 1.097,398 3.423,399 2,400 1,401 1.372,402 2.136,403 1,404 1.724,405 1,406 3.247,407 1.474,408 0.565,409 0.626,411 1.183,412 0.506,413 1.416,414 0.667,415 3.066,416 1.07,417 0.152,418 0.166,420 0.29,421 0.137,422 1.215,423 0.528,424 2.683,425 0.85,426 -0.122,427 -0.159,429 -0.323,430 -0.117,431 0.92,432 -0.049,433 2.566,434 0.622,435 -0.337,436 -0.371,438 -0.812,439 -0.32,440 12.733,441 0.472,442 0.661,443 0.024,444 33.75,445 1.25,446 16.5,447 0.611,448 17.25,449 0.639,450 23.91,451 0.886,452 29.267,453 0.585,454 26.831,455 0.994,456 6.629,457 0.246,458 6.467,459 0.24,460 0.131,462 0.385,466 0.82,467 1.222,468 0.793,469 1.092,470 0.714,471 0.963,472 0.983,473 0.984,474 0.847,475 0.915,476 0.598,477 0.852,478 0.986,479 1.081,480 0.871,481 1.041,482 0.843,483 0.947,484 0.723,485 0.99,486 0.834,487 0.994,488 0.736,489 0.944,490 1.278,491 1.034,492 0.936,493 0.999,494 1.159,495 0.921,496 1.809,497 0.944,498 1.333,499 0.956,500 2.04,501 1.051,502 1.179,503 1.09,504 1.078,505 1.074,506 1.369,507 1.063,508 1.55,509 1.039,510 1.395,511 1.059,512 1.62,513 1.174,514 4.5,515 0.041,516 3.111,517 2.5,518 2.213,519 1.361,520 0.995,521 0.49,522 0.185,523 0.098,524 7536,525 18364,526 2.097,527 46,528 2,529 16,532 1,534 4,536 1.712,537 1.952,538 3.068,539 -0.382,541 1,545 72.043,546 1.441,547 3.538,548 4.658,549 5.079,550 5.134,551 5.134,552 2.434,553 4.459,554 4.726,555 3.195,556 1121.51,557 8.263,558 13700.5,560 1,562 1,563 282.193,564 1.447,565 4.681,566 0.15,567 0.007,568 0.072,569 0.051,570 0.044,571 0.028,572 0.024,573 0.013,574 0.007,575 0.006,576 0.402,577 0.5,578 1,579 0.76,580 129.339,581 -0.04,582 -0.098,583 0.053,584 -0.026,585 -0.052,586 0.019,587 -0.085,588 0.115,589 0.07,590 0.088,591 0.035,592 0.11,593 -0.043,594 -0.044,595 0.069,596 -0.04,597 -0.012,598 0.026,599 0.427,600 0.008,601 0.153,602 -0.013,603 0.261,604 0.015,605 -0.096,606 -0.049,607 0.06,608 -0.02,609 -0.02,610 0.038,611 -0.202,612 0.029,613 -0.291,614 0.003,615 -0.193,616 -0.14,617 -0.122,618 -0.114,619 -0.097,620 -0.092,621 -0.097,622 -0.091,623 -0.302,624 -0.045,625 -0.39,626 -0.103,627 -0.271,628 -0.236,629 1.841,630 5.945,631 0.815,632 20.993,633 1.003,634 1.118,635 2.493,636 6.215,637 0.664,638 3.434,639 3.784,640 4.127,641 4.466,642 4.762,643 4.89,644 5.075,645 5.204,646 5.283,647 5.278,648 5.284,649 0.634,650 365.46,651 3.434,652 4.99,653 5.872,654 6.781,655 7.686,656 8.605,657 9.519,658 10.444,659 11.363,660 12.29,661 2,664 1,675 6,680 6,682 12,686 1,696 1,697 2,699 50,700 14,701 2,702 30,704 53,705 22,706 12,707 6,708 6,709 3,710 4,711 5,716 4,719 4,721 15,722 7,724 2,728 1,729 1,731 2,733 1,736 23,737 5,738 1,739 5,743 1,747 0.75,748 4,760 4,763 1,770 2,774 1,777 3,781 2,785 27,788 1,789 4,791 2,793 1,794 1,801 8,803 1,804 1,806 2,808 13.833,809 9.567,810 5.972,811 3.069,812 2.619,813 1.343,814 0.961,815 4.938,816 10.255,817 3.664,818 4.248,819 4.856,820 5.45,821 6.008,822 6.326,823 6.705,824 7.057,825 7.399,826 7.641,827 0.833,828 49,829 10.068,831 4.395,832 7.747,833 19.255,835 16.183,837 2.247,838 60.667,840 1,841 1,842 258.964,843 125.743,844 3.124,846 89.828,849 125.743,850 348.792,851 3.124,852 19.279,853 9.709,854 66.334,855 78.205,856 45.168,858 258.964,860 258.964,861 128.867,862 89.828,865 211.88,866 136.912,869 12.834,870 101.314,871 14.72,873 258.964,874 92.952,875 125.743,878 258.964,879 40.13,880 88.737,882 89.828,883 258.964,884 92.952,885 125.743,887 0.581,888 0.359,889 0.211,890 0.122,891 22,892 10,893 0.057,894 3,895 1,896 1.091,897 3.666,898 250.718,899 0.091,900 22,901 124.382,904 18.083,905 7.373,906 3.239,908 92.952,909 11.045,914 2.718,916 42.683,917 477.66,918 38,922 12.945,923 1.492,925 0.312,926 50.131,927 55.903,928 0.255,929 0.627,930 0.825,931 0.9,932 0.91,933 0.91,934 4.927,935 1.414,936 5.872,937 4.35,938 4.466,939 4.934,940 1.698,941 6.751,942 4.4,943 6.132,944 1.351,945 7.47,946 3.561,947 4.111,948 4.771,949 0.325,950 7.794,951 4.01,952 7.452,953 1.096,954 9.174,955 2.964,956 6.111,957 7.108,958 1.422,959 10.967,960 5.989,961 8.809,962 1,963 10.941,964 2.659,965 6.594,966 7.776,967 0.393,968 12.857,969 6.439,970 10.202,971 0.565,972 12.748,973 2.136,974 8.073,975 9.605,976 1.2,977 15.56,978 7.899,979 11.619,980 0.152,981 14.583,982 1.183,983 8.942,984 10.669,985 0.384,986 17.798,987 8.735,988 13.057,989 -0.122,990 16.439,991 0.29,992 10.223,993 12.289,994 1.01,995 20.349,996 9.996,997 3.357,998 -0.337,999 18.31,1000 -0.323,1001 11.268,1002 13.551,1003 0.351,1004 22.733,1005 11.01,1006 2.916,1007 12.244,1008 20.193,1009 -0.812,1010 12.479,1011 15.081,1012 0.845,1013 25.237,1014 12.198,1015 2.74,1016 10.02,1017 22.085,1018 4.384,1019 13.603,1020 16.444,1021 0.312,1022 27.683,1023 13.293,1024 2.329,1025 9.001,1026 23.986,1027 3.736,1028 14.794,1029 17.936,1030 0.702,1031 30.177,1032 14.458,1033 2.13,1034 7.125,1035 25.893,1036 3.361,1037 15.955,1038 19.35,1039 0.273,1040 32.651,1041 15.59,1042 1.771,1043 6.413,1044 27.807,1045 2.896,1046 17.143,1047 20.827,1048 0.579,1049 35.144,1050 16.751,1051 1.699,1052 5.074,1053 29.725,1054 2.559,1055 18.322,1056 22.269,1057 0.236,1058 37.632,1059 17.902,1060 7259,1061 11486,1062 19.997,1063 33.199,1064 45.543,1065 46.927,1066 47.632,1067 45.004,1068 45.039,1069 56.431,1070 5.618,1071 134.037,1072 43.441,1073 5.683,1074 5.72,1075 6.883,1076 5.43,1077 5.357,1078 7.384,1079 1.776,1080 19.874,1081 5.264,1082 12.742,1083 1.518,1084 1.564,1085 1.588,1086 1.5,1087 1.501,1088 1.881,1089 0.187,1090 4.468,1091 1.448,1092 4.063,1093 4.075,1094 4.031,1095 3.973,1096 7.428,1097 3.984,1098 3.885,1099 3.921,1100 3.816,1101 3.821,1102 6.469,1103 3.817,1104 3.775,1105 3.817,1106 3.668,1107 3.638,1108 4.896,1109 3.636,1110 3.458,1111 3.472,1112 3.396,1113 3.329,1114 4.73,1115 3.34,1116 3.285,1117 3.354,1118 3.142,1119 3.06,1120 4.536,1121 3.067,1122 3.236,1123 3.325,1124 3.015,1125 3.002,1126 4.349,1127 2.99,1128 3.064,1129 3.149,1130 2.877,1131 2.859,1132 3.999,1133 2.842,1134 2.945,1135 2.965,1136 2.832,1137 2.792,1138 3.804,1139 2.801,1140 0.156,1141 0.124,1142 0.236,1143 0.144,1144 0.112,1145 4.683,1146 0.146,1147 3.72,1148 0.031,1149 7.082,1150 0.408,1151 4.329,1152 0.109,1153 3.357,1154 4.384,1155 0.916,1156 12.244,1157 3.264,1158 1.99,1159 1.981,1160 2.089,1161 2.103,1162 1.433,1163 2.096,1164 1.889,1165 1.86,1166 2.028,1167 1.994,1168 1.15,1169 2.007,1170 1.753,1171 1.706,1172 1.896,1173 1.9,1174 1.064,1175 1.902,1176 1.407,1177 1.389,1178 1.608,1179 1.581,1180 0.793,1181 1.571,1182 1.251,1183 1.175,1184 1.578,1185 1.523,1186 0.738,1187 1.556,1188 1.22,1189 1.133,1190 1.534,1191 1.498,1192 0.588,1193 1.514,1194 1.087,1195 1.001,1196 1.429,1197 1.315,1198 0.546,1199 1.359,1200 0.889,1201 0.864,1202 1.181,1203 1.093,1204 0.379,1205 1.107,1206 4.111,1208 5.451,1210 7.013,1212 8.681,1214 10.406,1216 3.531,1221 10.774,1222 4.052,1224 11.588,1226 0.001,1227 2.208,1231 31.675,1232 72.043,1233 176.918,1234 232.909,1235 253.928,1236 256.683,1237 256.683,1238 53.483,1239 7.636,1240 62.91,1241 62.91,1242 24,1243 12.796,1244 3.907,1245 3.17,1246 39.708,1247 82,1248 94,1249 0.235,1250 191.588,1251 342.96,1252 459.236,1253 19550,1255 18.966,1256 0.702,1257 0.577,1258 18.966,1259 15.566,1260 13.097,1261 0.437,1262 0.308,1263 9.099,1264 12.587,1265 8.853,1266 7.343,1267 13.097,1268 9.232,1269 11.732,1270 0.273,1271 0.164,1272 11.732,1273 7.049,1274 10.284,1275 0.169,1276 0.088,1277 10.284,1278 5.364,1279 9.187,1280 0.107,1281 0.046,1282 9.187,1283 3.974,1284 7.828,1285 0.067,1286 0.025,1287 7.828,1288 2.922,1289 0.35,1290 82.325,1291 0.224,1292 25.011,1293 0.71,1294 146,1295 423.001,1296 159.375,1297 400.916,1298 550.31,1299 376,1300 177,1301 406.598,1302 191.624,1303 411.203,1304 608.99,1305 386,1306 5} {0 CHEMBL507274,1 1.895,2 8.56,3 4.973,4 24.732,5 94.713,6 11.8,7 0.714,8 3.718,9 3.796,10 3.65,11 3.322,12 5.116,13 3.344,14 4.155,15 4.23,16 4.098,17 3.764,18 5.604,19 3.768,20 4.406,21 4.526,22 4.178,23 3.867,24 5.738,25 3.86,26 4.496,27 4.637,28 4.168,29 3.814,30 5.899,31 3.82,32 4.42,33 4.552,34 4.243,35 3.674,36 5.897,37 3.72,38 4.324,39 4.451,40 4.106,41 3.576,42 5.952,43 3.616,44 4.226,45 4.354,46 3.892,47 3.43,48 5.894,49 3.447,50 4.039,51 4.196,52 3.967,53 3.232,54 5.574,55 3.195,56 0.266,57 0.52,58 1.062,59 2.44,60 21.305,61 1.955,62 0.368,63 0.793,64 0.72,65 4.271,66 53.644,67 3.805,68 0.496,69 1.005,70 13.622,71 6.172,72 50.781,73 5.307,74 0.696,75 1.064,76 12.368,77 6.592,78 79.839,79 5.702,80 0.737,81 0.957,82 10.545,83 5.827,84 99.069,85 4.579,86 0.72,87 0.856,88 13.592,89 5.56,90 83.543,91 4.62,92 0.781,93 0.75,94 6.033,95 4.878,96 113.744,97 3.53,98 0.602,99 0.572,100 11.574,101 4.998,102 80.952,103 4.432,104 30,105 42,106 0.336,107 0.688,108 0.779,109 0.881,110 0.891,111 0.891,112 3.269,113 0.849,114 -4.06,115 -4,116 -3.79,117 1,119 47.1,133 6,134 3,135 3,143 3,144 1,155 3,159 5,161 1,162 3,165 1,166 7,168 7,172 9,174 1,176 6,178 8,182 9,185 1,186 2,187 3,190 4,194 7,197 3,199 5,202 4,206 4,209 6,211 5,213 5,216 1,217 3,220 4,222 2,224 5,228 3,229 5,234 2,237 4,241 2,242 5,250 2,255 848,256 16.748,257 16.748,258 16.748,259 16.748,260 16.748,261 14.09,262 14.204,263 9.447,264 17.18,265 13.743,266 13.743,267 13.743,268 13.743,269 13.743,270 9.596,271 12.836,272 4.378,273 14.466,274 3.192,275 1.206,276 0.691,277 0.118,278 0.059,279 0.059,280 3.96,284 1,285 464,286 3,288 90.515,289 117.746,291 174.879,295 1.222,296 36.77,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 55.75,307 214,308 4.787,309 3.782,310 7.066,311 4.344,312 3.369,313 4.752,314 2.612,315 12.204,316 3.285,317 4.532,318 3.433,319 6.603,320 4.033,321 3.059,322 4.488,323 0.894,324 10.531,325 2.978,326 4.157,327 3.134,328 5.963,329 3.639,330 2.674,331 3.799,333 8.318,334 2.576,335 3.793,336 2.822,337 5.717,338 3.3,339 2.369,340 3.298,342 7.478,343 2.211,344 3.494,345 2.439,346 5.29,347 2.991,348 2.067,349 2.879,351 6.132,352 1.892,353 3.354,354 2.35,355 4.967,356 2.845,357 1.914,358 2.697,360 5.74,361 1.683,362 3.177,363 2.006,364 4.854,365 2.665,366 1.732,367 2.453,369 5.104,370 1.595,371 2.898,372 1.801,373 4.601,374 2.389,375 1.414,376 2.084,378 4.302,379 1.361,380 2.881,381 1.642,382 3.798,383 2.207,384 1.216,385 1.986,386 2.888,387 1.203,388 2.553,389 1.428,390 3.762,391 1.984,392 1.011,393 1.45,394 2.41,395 0.979,396 2.024,397 1,398 3.418,399 1.494,400 0.539,401 0.792,402 1.467,403 0.504,404 1.959,405 0.792,406 2.869,407 1.259,408 0.299,409 0.476,411 0.524,412 0.273,413 1.16,414 0.639,415 2.534,416 0.693,417 -0.229,418 -0.306,420 -0.504,421 -0.178,422 1,423 0.281,424 2.423,425 0.428,426 -0.421,427 -0.547,429 -1.03,430 -0.292,431 0.953,432 0.011,433 2.368,434 0.156,435 -0.804,436 -1.093,438 -2,439 -0.737,440 12.267,441 0.491,442 0.768,443 0.031,444 38,445 1.52,446 21.5,447 0.86,448 16.5,449 0.66,450 17.581,451 0.703,452 24.933,453 0.733,454 27.799,455 1.112,456 7.367,457 0.295,458 4.624,459 0.185,460 0.217,462 0.44,466 0.552,467 0.834,468 0.459,469 0.518,470 0.563,471 0.582,472 0.463,473 1.143,474 0.551,475 0.804,476 0.378,477 0.846,478 0.798,479 1.174,480 0.962,481 1.074,482 0.598,483 1.081,484 0.985,485 1.09,486 0.715,487 0.935,488 0.93,489 1.039,490 1.257,491 1.053,492 0.69,493 0.886,494 1.231,495 0.877,496 0.944,497 0.956,498 0.794,499 0.992,500 1.023,501 0.981,502 1.287,503 0.872,504 0.671,505 0.775,506 1.325,507 1.022,508 1.126,509 0.859,510 1.197,511 1.084,512 1.387,513 1.105,514 5.5,515 0.085,516 3.333,517 2.681,518 1.797,519 1.344,520 0.735,521 0.401,522 0.31,523 0.09,524 6226,525 25971,526 2.081,527 26.5,529 6,532 3,536 1.688,537 1.899,538 3.092,539 1.084,545 64.444,546 1.895,547 3.881,548 4.396,549 4.97,550 5.029,551 5.029,552 2.483,553 4.324,554 4.616,555 3.201,556 960.302,557 8.022,558 11022.8,560 1,563 172.974,564 1.516,565 4.552,566 0.196,567 0.014,568 0.079,569 0.061,570 0.043,571 0.034,572 0.02,573 0.014,574 0.015,575 0.008,576 0.485,577 0.5,578 1,579 0.942,580 117.006,581 0.104,582 0.26,583 -0.01,584 0.206,585 -0.015,586 0.125,587 0.137,588 -0.128,589 0.003,590 -0.024,591 0.16,592 -0.066,593 -0.105,594 -0.166,595 -0.109,596 -0.176,597 -0.012,598 -0.166,599 -0.109,600 -0.091,601 -0.035,602 -0.063,603 -0.085,604 -0.076,605 -0.194,606 -0.055,607 0.046,608 0.006,609 -0.2,610 0.06,611 0.119,612 0.035,613 -0.005,614 -0.083,615 0.052,616 -0.04,617 -0.075,618 0.096,619 -0.021,620 0.114,621 -0.057,622 -0.083,623 0.032,624 0.009,625 0.111,626 0.065,627 -0.135,628 0.079,629 2.519,630 4.446,631 0.72,632 17.997,633 1.047,634 1.115,635 2.826,636 7.987,637 0.749,638 3.367,639 3.761,640 4.111,641 4.466,642 4.745,643 4.92,644 5.1,645 5.252,646 5.268,647 5.298,648 5.172,649 0.751,650 401.19,651 3.367,652 4.949,653 5.844,654 6.77,655 7.689,656 8.622,657 9.551,658 10.486,659 11.419,660 12.357,661 11.8,669 2,672 1,673 1,674 4,675 6,677 2,680 6,682 20,693 1,694 1,696 1,698 1,699 34,700 23,701 2,702 28,703 1,704 37,705 16,706 16,707 6,708 6,710 4,711 6,721 16,724 3,726 1,728 3,730 1,736 9,737 5,738 3,739 9,740 1,743 4,747 0.5,748 4,756 2,759 2,760 2,762 2,777 2,780 1,785 25,788 1,800 1,801 11.8,803 1,804 1,807 2,808 13.167,809 6.243,810 5.389,811 1.862,812 4.379,813 1.569,814 1.023,815 3.687,816 12.077,817 3.738,818 4.472,819 5.178,820 5.9,821 6.523,822 7.041,823 7.576,824 8.083,825 8.419,826 8.83,827 0.833,828 44,829 9.202,831 4.178,832 8.237,833 16.683,835 14.072,837 2.737,838 68.417,842 70.627,843 80.803,844 104.479,846 118.804,849 126.757,850 189.43,851 58.525,852 5.67,854 56.857,855 68.057,856 50.471,857 26.329,858 70.627,859 96.701,860 70.627,861 139.327,862 118.804,864 45.954,865 70.627,866 68.057,867 50.747,869 33.571,870 80.803,871 24.954,872 45.954,873 70.627,874 177.328,875 126.757,878 70.627,879 23.945,880 62.528,881 79.525,882 138.087,883 70.627,884 177.328,885 126.757,887 0.597,888 0.363,889 0.207,890 0.121,891 23,892 11,893 0.081,894 3,895 2,896 1.222,897 3.511,898 226.944,899 0.222,900 18,901 114.096,904 15.964,905 5.773,906 2.464,907 2.169,908 138.087,909 9.494,911 5.821,914 1.138,916 76.254,917 374.712,918 41,920 -0.519,922 33.55,924 3.1,926 35.596,927 37.918,928 0.373,929 0.763,930 0.864,931 0.977,932 0.988,933 0.988,934 4.99,935 1.414,936 5.872,937 5.104,938 4.443,939 5.159,940 2.625,941 6.774,942 4.353,943 6.266,944 1.216,945 7.489,946 4.302,947 4.205,948 5.231,949 2.361,950 7.837,951 4.052,952 7.625,953 1.011,954 9.204,955 2.888,956 6.125,957 7.558,958 4.174,959 10.991,960 5.976,961 9.024,962 0.539,963 10.975,964 2.41,965 6.686,966 8.443,967 4.506,968 12.892,969 6.499,970 10.454,971 0.299,972 12.782,973 1.467,974 8.124,975 10.27,976 5.951,977 15.584,978 7.932,979 11.908,980 -0.229,981 14.615,982 0.524,983 9.039,984 11.519,985 6.556,986 17.832,987 8.82,988 13.38,989 -0.421,990 16.467,991 -0.504,992 10.305,993 13.161,994 7.795,995 20.376,996 10.073,997 3.369,998 -0.804,999 18.334,1000 -1.03,1001 11.377,1002 14.572,1003 8.548,1004 22.764,1005 11.12,1006 3.059,1007 12.204,1008 20.214,1009 -2,1010 12.585,1011 16.144,1012 9.67,1013 25.263,1014 12.31,1015 2.674,1016 10.531,1017 22.105,1018 4.752,1019 13.724,1020 17.626,1021 10.509,1022 27.707,1023 13.425,1024 2.369,1025 8.318,1026 24.003,1027 4.488,1028 14.916,1029 19.174,1030 11.563,1031 30.195,1032 14.596,1033 2.067,1034 7.478,1035 25.909,1036 3.799,1037 16.085,1038 20.688,1039 12.452,1040 32.664,1041 15.741,1042 1.914,1043 6.132,1044 27.821,1045 3.298,1046 17.276,1047 22.229,1048 13.468,1049 35.151,1050 16.909,1051 1.732,1052 5.74,1053 29.738,1054 2.879,1055 18.46,1056 23.757,1057 14.386,1058 37.632,1059 18.068,1060 6038,1061 12435,1062 18.323,1063 25.477,1064 44.077,1065 46.051,1066 46.079,1067 43.586,1068 43.33,1069 62.308,1070 7.014,1071 134.194,1072 41.079,1073 5.484,1074 5.782,1075 6.569,1076 5.384,1077 5.369,1078 7.752,1079 4.612,1080 19.911,1081 5.285,1082 13.978,1083 1.574,1084 1.645,1085 1.646,1086 1.557,1087 1.547,1088 2.225,1089 0.25,1090 4.793,1091 1.467,1092 4.211,1093 4.238,1094 6.88,1095 4.121,1096 7.815,1097 4.132,1098 4.039,1099 4.067,1100 4.178,1101 3.954,1102 7.529,1103 3.958,1104 3.699,1105 3.725,1106 3.983,1107 3.446,1108 6.999,1109 3.467,1110 3.418,1111 3.45,1112 3.68,1113 3.246,1114 6.473,1115 3.268,1116 3.165,1117 3.194,1118 3.262,1119 2.892,1120 4.969,1121 2.927,1122 3.051,1123 3.103,1124 3.099,1125 2.867,1126 4.805,1127 2.859,1128 2.874,1129 2.93,1130 2.93,1131 2.616,1132 4.29,1133 2.682,1134 2.756,1135 2.803,1136 2.742,1137 2.378,1138 4.051,1139 2.437,1140 0.171,1141 0.135,1142 0.252,1143 0.155,1144 0.12,1145 4.787,1146 0.17,1147 3.782,1148 0.093,1149 7.066,1150 0.436,1151 4.344,1152 0.117,1153 3.369,1154 4.752,1155 2.612,1156 12.204,1157 3.285,1158 1.959,1159 1.939,1160 2.025,1161 2.101,1162 1.178,1163 2.066,1164 1.923,1165 1.905,1166 1.972,1167 1.993,1168 1.141,1169 1.998,1170 1.63,1171 1.598,1172 1.687,1173 1.822,1174 0.81,1175 1.783,1176 1.319,1177 1.275,1178 1.409,1179 1.737,1180 0.407,1181 1.629,1182 1.136,1183 1.114,1184 1.205,1185 1.465,1186 0.268,1187 1.394,1188 1.017,1189 0.982,1190 1.118,1191 1.241,1192 0.235,1193 1.207,1194 0.833,1195 0.775,1196 1.09,1197 1.046,1198 0.095,1199 1.071,1200 0.725,1201 0.665,1202 0.937,1203 0.957,1205 0.968,1206 4.043,1208 5.416,1209 3.045,1210 6.982,1211 5.533,1212 8.638,1213 7.735,1214 10.344,1215 3.345,1221 10.319,1231 25.55,1232 64.444,1233 131.954,1234 149.464,1235 168.974,1236 170.974,1237 170.974,1238 51.73,1239 7.698,1240 127.06,1241 127.06,1242 22,1243 12.855,1244 4.585,1245 3.807,1246 35.627,1247 76,1248 76,1249 0.235,1250 160.476,1251 264.36,1252 383.322,1253 21220,1254 2.9,1255 17.715,1256 0.709,1257 0.56,1258 18.715,1259 13.994,1260 11.99,1261 0.428,1262 0.283,1263 7.064,1264 10.822,1265 6.93,1266 5.678,1267 12.568,1268 7.927,1269 11.345,1270 0.27,1271 0.152,1272 12.162,1273 6.381,1274 9.808,1275 0.163,1276 0.076,1277 10.333,1278 4.541,1279 8.662,1280 0.101,1281 0.039,1282 9.101,1283 3.319,1284 7.321,1285 0.064,1286 0.021,1287 7.903,1288 2.387,1289 0.351,1290 84.871,1291 0.234,1292 23.434,1293 0.7,1294 140,1295 503.967,1296 221.196,1297 522.849,1298 688.35,1299 478,1300 172,1301 489.022,1302 215.872,1303 499.423,1304 727.07,1305 468,1306 5} {0 CHEMBL523951,1 1.479,2 8.52,3 3.085,4 9.519,5 95.494,6 7.668,7 0.429,8 3.904,9 3.997,10 3.486,11 3.472,12 5.056,13 3.462,14 4.426,15 4.559,16 3.871,17 3.885,18 5.54,19 3.856,20 4.762,21 4.95,22 4.006,23 4.025,24 5.835,25 3.985,26 4.788,27 4.963,28 4.066,29 3.974,30 6.148,31 3.947,32 4.738,33 4.905,34 3.931,35 3.947,36 5.906,37 3.921,38 4.705,39 4.869,40 3.88,41 3.926,42 5.992,43 3.878,44 4.655,45 4.838,46 3.686,47 3.841,48 5.845,49 3.769,50 4.561,51 4.771,52 3.394,53 3.672,54 5.699,55 3.559,56 0.078,57 0.578,58 8.649,59 4.29,60 13.994,61 5.009,62 0.099,63 0.973,64 15.531,65 7.266,66 17.715,67 8.96,68 0.285,69 1.284,70 25.113,71 9.927,72 44.465,73 12.586,74 0.864,75 1.258,76 26.719,77 9.829,78 104.014,79 12.45,80 0.481,81 1.195,82 25.226,83 9.236,84 66.686,85 10.786,86 0.575,87 1.161,88 24.058,89 9.181,90 86.563,91 11.03,92 0.417,93 1.107,94 23.291,95 8.781,96 72.288,97 10.631,98 0.397,99 1.003,100 21.984,101 8.038,102 70.511,103 10.106,104 10,105 40,106 0.256,107 0.633,108 0.772,109 0.863,110 0.881,111 0.881,112 3.269,113 0.907,114 -3.79,115 -3.75,116 -3.57,119 45.5,121 3,124 1,126 1,130 1,132 1,133 6,134 3,135 3,146 1,159 8,162 6,166 7,168 13,172 2,176 1,178 6,181 1,182 7,185 4,186 2,187 6,190 9,194 4,199 1,202 7,206 4,209 2,210 1,211 7,213 9,217 2,222 7,224 8,229 1,234 7,237 8,247 3,250 6,255 882,256 17.052,257 17.052,258 17.052,259 17.052,260 17.052,261 15.231,262 18.197,263 10.094,264 17.25,265 13.844,266 13.844,267 13.844,268 13.844,269 13.844,270 11.029,271 25.602,272 4.805,273 14.201,274 3.981,275 1.8,276 0.995,277 0.472,278 0.364,279 0.364,280 3.966,283 1,284 1,285 466,286 2.121,289 249.622,292 97.126,295 1.139,296 35.208,298 1,299 1,300 1,301 1,302 0.8,303 0.5,304 1,305 0.9,306 54.5,307 213,308 4.67,309 3.702,310 7.036,311 4.307,312 3.332,313 4.375,314 0.86,315 12.053,316 3.248,317 4.198,318 3.31,319 6.356,320 3.83,321 2.85,322 3.735,323 0.657,324 9.543,325 2.795,326 3.954,327 2.973,328 6.115,329 3.657,330 2.672,331 3.331,333 8.907,334 2.63,335 3.517,336 2.687,337 5.193,338 3.159,339 2.184,340 2.845,342 6.17,343 2.123,344 3.259,345 2.346,346 5.125,347 2.95,348 2.005,349 2.505,351 5.833,352 1.888,353 3.168,354 2.244,355 4.789,356 2.748,357 1.77,358 2.242,360 4.952,361 1.718,362 3.019,363 1.859,364 4.402,365 2.641,366 1.653,367 2.111,369 4.168,370 1.616,371 2.588,372 1.534,373 3.694,374 2.318,375 1.346,376 1.559,378 2.99,379 1.302,380 2.5,381 1.198,382 3.526,383 2.048,384 1.077,385 1.5,386 2.634,387 1.038,388 2.371,389 1.162,390 3.247,391 2,392 1,393 1.359,394 2.136,395 1,396 2,397 1,398 3.247,399 1.958,400 1,401 1,402 2.136,403 0.956,404 1.427,405 0.783,406 3.235,407 1.165,408 0.228,409 0.258,411 0.633,412 0.211,413 1.392,414 0.552,415 3.033,416 0.892,417 -0.096,418 -0.127,420 -0.268,421 -0.093,422 0.914,423 -0.069,424 2.648,425 0.517,426 -0.489,427 -0.64,429 -1.257,430 -0.469,431 0.692,432 -0.139,433 2.4,434 0.328,435 -0.58,436 -0.663,438 -1.348,439 -0.529,440 11.733,441 0.469,442 0.61,443 0.024,444 32.25,445 1.29,446 16.5,447 0.66,448 15.75,449 0.63,450 20.084,451 0.803,452 26.667,453 0.606,454 24.536,455 0.981,456 6.208,457 0.248,458 5.94,459 0.238,460 0.085,462 0.384,466 0.875,467 1.005,468 0.786,469 0.923,470 0.796,471 0.848,472 0.724,473 1.17,474 0.827,475 1.115,476 0.545,477 1.007,478 0.954,479 1.033,480 0.833,481 0.995,482 0.826,483 0.902,484 0.775,485 0.95,486 0.799,487 0.947,488 0.663,489 0.89,490 1.57,491 0.963,492 1.102,493 0.921,494 1.367,495 0.918,496 1.252,497 1.025,498 1.119,499 1.034,500 1.303,501 1.054,502 1.379,503 1.066,504 1.241,505 1.078,506 1.616,507 1.123,508 1.287,509 1.096,510 1.306,511 1.118,512 1.556,513 1.201,514 4,515 0.016,516 2.667,517 2.313,518 1.662,519 1.243,520 0.811,521 0.368,522 0.123,523 0.054,524 6374,525 16526,526 2.13,527 43.2,528 2,529 10,532 3,534 4,536 1.689,537 2,538 3.056,539 0.926,540 1,541 1,543 1,545 65.066,546 1.479,547 3.659,548 4.465,549 4.988,550 5.096,551 5.096,552 2.437,553 4.324,554 4.615,555 3.165,556 949.607,557 8.031,558 10970.1,560 1,562 1,563 240.215,564 1.388,565 4.579,566 0.143,567 0.004,568 0.067,569 0.053,570 0.038,571 0.031,572 0.022,573 0.012,574 0.006,575 0.005,576 0.38,577 0.5,578 1,579 0.553,580 116.85,581 -0.105,582 0.09,583 0.01,584 0.106,585 -0.098,586 0.087,587 -0.023,588 -0.098,589 0.007,590 -0.105,591 0.039,592 -0.05,593 -0.038,594 -0.028,595 0.118,596 -0.016,597 -0.021,598 0.07,599 0.443,600 0.034,601 0.204,602 0.015,603 0.369,604 0.052,605 -0.248,606 0.02,607 -0.103,608 0.04,609 -0.196,610 0.006,611 -0.024,612 -0.044,613 -0.141,614 -0.062,615 0.004,616 -0.12,617 -0.228,618 -0.094,619 -0.257,620 -0.109,621 -0.216,622 -0.175,623 -0.213,624 -0.139,625 -0.303,626 -0.156,627 -0.235,628 -0.233,629 1.991,630 5.618,631 0.88,632 18.349,633 1.008,634 1.115,635 2.562,636 6.565,637 0.674,638 3.367,639 3.714,640 4.043,641 4.382,642 4.654,643 4.796,644 4.934,645 5.069,646 5.13,647 5.142,648 5.114,649 0.65,650 337.4,651 3.367,652 4.92,653 5.796,654 6.701,655 7.597,656 8.514,657 9.419,658 10.342,659 11.252,660 12.178,661 2.3,663 1,675 6,680 6,682 12,686 1,696 2,697 1,699 44,700 14,701 2,702 28,704 47,705 20,706 12,707 6,708 6,709 3,710 4,711 5,716 4,719 4,721 15,722 5,724 2,728 1,729 1,731 2,732 1,733 1,736 19,737 5,738 3,739 5,743 1,747 0.75,748 4,760 4,763 1,770 2,773 1,777 3,785 25,788 2,789 4,790 1,791 1,793 1,801 9.1,803 2,804 1,806 1,808 12.5,809 7.65,810 5.444,811 2.753,812 2.634,813 1.352,814 0.961,815 4.236,816 10.109,817 3.611,818 4.205,819 4.808,820 5.402,821 5.944,822 6.262,823 6.601,824 6.974,825 7.301,826 7.563,827 0.833,828 44,829 9.345,831 4.202,832 7.887,833 17.64,835 15.082,837 2.387,838 59.667,841 1,842 188.338,843 101.22,844 18.011,846 121.512,849 101.22,850 309.849,851 18.011,853 9.709,854 84.344,855 120.889,856 25.8,858 188.338,860 188.338,861 119.231,862 121.512,865 141.253,866 168.596,869 27.72,870 76.791,871 14.72,873 188.338,874 139.522,875 101.22,878 188.338,879 34.886,880 66.334,881 18.011,882 121.512,883 188.338,884 139.522,885 101.22,887 0.583,888 0.352,889 0.208,890 0.116,891 21,892 9,893 0.043,894 2,895 1,896 1.091,897 3.574,898 223.761,899 0.091,900 22,901 112.096,904 16.185,905 6.543,906 2.921,908 139.522,909 10.549,914 1.357,916 103.377,917 429.08,918 36,922 12.618,923 1.381,925 0.092,926 44.363,927 49.073,928 0.271,929 0.67,930 0.818,931 0.914,932 0.933,933 0.933,934 4.868,935 1.346,936 5.79,937 4.168,938 4.394,939 4.89,940 1.207,941 6.655,942 4.343,943 6.074,944 1.077,945 7.377,946 2.99,947 4.007,948 4.718,950 7.667,951 3.928,952 7.392,953 1,954 9.071,955 2.634,956 6.023,957 7.073,958 0.903,959 10.843,960 5.927,961 8.748,962 1,963 10.83,964 2.136,965 6.479,966 7.736,968 12.716,969 6.356,970 10.14,971 0.228,972 12.631,973 2.136,974 7.971,975 9.576,976 0.678,977 15.415,978 7.83,979 11.557,980 -0.096,981 14.462,982 0.633,983 8.821,984 10.638,986 17.639,987 8.654,988 12.995,989 -0.489,990 16.313,991 -0.268,992 10.109,993 12.264,994 0.512,995 20.182,996 9.922,997 3.332,998 -0.58,999 18.18,1000 -1.257,1001 11.143,1002 13.524,1004 22.553,1005 10.928,1006 2.85,1007 12.053,1008 20.059,1009 -1.348,1010 12.356,1011 15.056,1012 0.387,1013 25.047,1014 12.118,1015 2.672,1016 9.543,1017 21.949,1018 4.375,1019 13.474,1020 16.417,1022 27.48,1023 13.208,1024 2.184,1025 8.907,1026 23.846,1027 3.735,1028 14.663,1029 17.909,1030 0.293,1031 29.962,1032 14.373,1033 2.005,1034 6.17,1035 25.75,1036 3.331,1037 15.819,1038 19.322,1040 32.423,1041 15.502,1042 1.77,1043 5.833,1044 27.66,1045 2.845,1046 17.004,1047 20.798,1048 0.221,1049 34.904,1050 16.661,1051 1.653,1052 4.952,1053 29.574,1054 2.505,1055 18.179,1056 22.237,1058 37.379,1059 17.809,1060 6074,1061 9922,1062 18.898,1063 29.676,1064 42.694,1065 43.904,1066 43.708,1067 42.25,1068 42.234,1069 53.64,1070 3.035,1071 124.307,1072 41.051,1073 5.67,1074 5.702,1075 6.838,1076 5.407,1077 5.332,1078 7.375,1079 1.72,1080 19.628,1081 5.248,1082 10.335,1083 1.525,1084 1.568,1085 1.561,1086 1.509,1087 1.508,1088 1.916,1089 0.108,1090 4.44,1091 1.466,1092 4.056,1093 4.067,1094 4.024,1095 3.969,1096 7.428,1097 3.979,1098 3.881,1099 3.915,1100 3.813,1101 3.819,1102 6.491,1103 3.814,1104 3.756,1105 3.801,1106 3.638,1107 3.62,1108 6.445,1109 3.616,1110 3.452,1111 3.465,1112 3.389,1113 3.327,1114 4.859,1115 3.337,1116 3.156,1117 3.208,1118 3.052,1119 3.005,1120 4.628,1121 3.002,1122 3.048,1123 3.148,1124 2.846,1125 2.825,1126 4.362,1127 2.821,1128 2.932,1129 2.959,1130 2.81,1131 2.764,1132 4.051,1133 2.767,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.674,1139 2.715,1140 0.167,1141 0.132,1142 0.251,1143 0.154,1144 0.119,1145 4.67,1146 0.156,1147 3.702,1148 0.031,1149 7.036,1150 0.43,1151 4.307,1152 0.116,1153 3.332,1154 4.375,1155 0.86,1156 12.053,1157 3.248,1158 1.987,1159 1.978,1160 2.083,1161 2.097,1162 1.411,1163 2.09,1164 1.885,1165 1.857,1166 2.026,1167 1.987,1168 1.145,1169 2.002,1170 1.739,1171 1.691,1172 1.89,1173 1.889,1174 1.059,1175 1.893,1176 1.404,1177 1.387,1178 1.537,1179 1.561,1180 0.784,1181 1.548,1182 1.15,1183 1.092,1184 1.459,1185 1.357,1186 0.605,1187 1.397,1188 1.025,1189 0.94,1190 1.322,1191 1.31,1192 0.503,1193 1.32,1194 0.886,1195 0.843,1196 1.181,1197 1.11,1198 0.218,1199 1.107,1200 0.875,1201 0.821,1202 1.063,1203 1.062,1204 0.133,1205 1.077,1206 4.043,1208 5.38,1210 6.936,1212 8.597,1214 10.315,1221 20.609,1222 3.788,1223 3.363,1224 6.015,1226 -0.106,1231 28.622,1232 65.066,1233 161.015,1234 196.441,1235 219.46,1236 224.215,1237 224.215,1238 52.999,1239 7.475,1240 82.7,1241 82.7,1242 24,1243 12.685,1244 3.907,1245 3.17,1246 35.536,1247 74,1248 82,1249 0.234,1250 172.404,1251 308.36,1252 412.425,1253 16230,1255 17.389,1256 0.696,1257 0.546,1258 17.389,1259 13.658,1260 12.148,1261 0.434,1262 0.302,1263 8.37,1264 11.762,1265 8.247,1266 6.786,1267 12.148,1268 8.464,1269 11.014,1270 0.275,1271 0.159,1272 11.014,1273 6.376,1274 9.464,1275 0.169,1276 0.084,1277 9.464,1278 4.715,1279 8.703,1280 0.11,1281 0.044,1282 8.703,1283 3.501,1284 6.935,1285 0.067,1286 0.024,1287 6.935,1288 2.527,1289 0.35,1290 75.89,1291 0.23,1292 23.509,1293 0.704,1294 136,1295 396.103,1296 148.239,1297 379.978,1298 518.91,1299 354,1300 164,1301 384.378,1302 176.795,1303 386.206,1304 573.54,1305 366,1306 5} {0 CHEMBL538190,1 1.484,2 8.56,3 3.774,4 14.243,5 99.716,6 7.684,7 0.786,8 3.875,9 3.992,10 3.482,11 3.449,12 5.033,13 3.437,14 4.356,15 4.518,16 3.835,17 3.832,18 5.465,19 3.807,20 4.508,21 4.672,22 3.896,23 3.977,24 5.561,25 3.926,26 4.614,27 4.802,28 3.879,29 4.011,30 5.634,31 3.936,32 4.668,33 4.884,34 3.882,35 3.995,36 5.67,37 3.921,38 4.656,39 4.869,40 3.882,41 3.958,42 5.733,43 3.89,44 4.624,45 4.847,46 3.714,47 3.886,48 5.658,49 3.793,50 4.595,51 4.856,52 3.397,53 3.701,54 5.586,55 3.564,56 0.024,57 0.638,58 8.14,59 3.585,60 8.924,61 4.575,62 0.207,63 1.009,64 15.014,65 5.947,66 21.312,67 7.621,68 0.107,69 1.157,70 17.13,71 7.206,72 15.782,73 9.436,74 0.125,75 1.275,76 19.762,77 8.201,78 19.265,79 11.042,80 0.137,81 1.329,82 22.126,83 8.515,84 23.304,85 11.753,86 0.318,87 1.335,88 21.937,89 7.902,90 31.829,91 10.881,92 0.149,93 1.265,94 21.363,95 7.887,96 27.543,97 10.903,98 0.35,99 1.167,100 22.783,101 7.535,102 43.181,103 10.592,104 11,105 40,106 0.254,107 0.605,108 0.77,109 0.865,110 0.884,111 0.884,112 3.269,113 0.856,114 -4.08,115 -4.03,116 -3.81,119 46.5,123 2,133 8,134 4,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 10,161 1,162 8,163 2,164 2,168 12,172 7,178 9,181 1,182 10,187 2,190 6,192 2,194 6,199 2,202 6,204 2,205 3,206 7,208 1,209 1,211 3,213 7,215 3,217 4,222 3,224 7,226 3,228 1,229 3,231 1,232 1,234 2,237 5,239 2,242 2,250 3,255 903,256 17.162,257 17.162,258 17.162,259 17.162,260 17.162,261 14.586,262 10.638,263 10.027,264 17.59,265 13.775,266 13.775,267 13.775,268 13.775,269 13.775,270 9.88,271 9.651,272 4.683,273 14.369,274 3.942,275 1.895,276 0.936,277 0.378,278 0.268,279 0.268,280 3.966,283 1,284 1,285 467,286 2.345,288 44.6,289 199.271,291 85.87,295 1.178,296 13.946,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 53,307 214,308 4.71,309 3.309,310 6.938,311 4.274,312 3.296,313 4.656,314 0.86,315 11.734,316 3.227,317 4.362,318 3.007,319 6.478,320 3.935,321 2.958,322 4.077,324 10.066,325 2.892,326 3.953,327 2.776,328 5.765,329 3.503,330 2.554,331 3.536,333 7.776,334 2.425,335 3.546,336 2.35,337 5.318,338 3.109,339 2.189,340 2.917,342 6.544,343 2.021,344 3.459,345 2.186,346 5.09,347 3.058,348 2.101,349 2.793,351 6.055,352 1.993,353 3.32,354 1.943,355 4.895,356 2.845,357 1.884,358 2.671,360 5.266,361 1.805,362 2.941,363 1.582,364 4.487,365 2.467,366 1.491,367 2.132,369 4.12,370 1.449,371 2.76,372 1.319,373 3.984,374 2.269,375 1.292,376 1.88,378 3.152,379 1.26,380 2.611,381 1.16,382 3.584,383 2.115,384 1.135,385 1.663,386 2.744,387 1.11,388 2.572,389 1.1,390 3.483,391 2.054,392 1.085,393 1.606,394 2.528,395 1.048,396 2.2,397 0.935,398 3.462,399 1.712,400 0.742,401 1.067,402 1.883,403 0.719,404 1.583,405 0.77,406 2.809,407 1.293,408 0.429,409 0.481,411 0.623,412 0.367,413 1.249,414 0.009,415 2.672,416 0.856,417 -0.085,418 -0.109,420 -0.21,421 -0.08,422 0.8,423 -0.387,424 2.454,425 0.392,426 -0.57,427 -0.712,429 -1.346,430 -0.542,431 0.758,432 -0.417,433 2.336,434 0.317,435 -0.626,436 -0.823,438 -1.486,439 -0.592,440 11.933,441 0.477,442 0.589,443 0.024,444 37.5,445 1.5,446 21,447 0.84,448 16.5,449 0.66,450 16.482,451 0.659,452 25.267,453 0.588,454 27.505,455 1.1,456 7.601,457 0.304,458 4.568,459 0.183,460 0.117,462 0.369,466 0.96,467 1.216,468 0.759,469 0.98,470 1.098,471 0.863,472 1.159,473 0.758,474 0.796,475 0.71,476 0.709,477 0.713,478 1.003,479 1.097,480 0.941,481 1.008,482 0.852,483 0.975,484 0.807,485 1.157,486 1.003,487 1.135,488 0.847,489 1.101,490 0.861,491 1.154,492 0.904,493 1.022,494 0.824,495 0.974,496 0.909,497 1.029,498 0.99,499 0.979,500 1.026,501 0.986,502 1.006,503 1.21,504 1.113,505 1.168,506 1.117,507 1.147,508 1.203,509 0.907,510 1.263,511 1.039,512 1.553,513 1.126,514 4.5,515 0.021,516 2.889,517 2.201,518 1.343,519 1.025,520 0.731,521 0.384,522 0.255,523 0.102,524 6415,525 16291,526 2.13,527 41.9,529 14,530 1,531 1,532 2,536 1.689,537 2,538 3.08,539 0.233,541 1,545 63.832,546 1.484,547 3.531,548 4.49,549 5.048,550 5.159,551 5.159,552 2.459,553 4.644,554 4.617,555 3.186,556 955.932,557 8.029,558 11152.6,560 1,562 1,563 233.329,564 1.388,565 4.579,566 0.161,567 0.004,568 0.072,569 0.052,570 0.034,571 0.026,572 0.019,573 0.012,574 0.012,575 0.008,576 0.4,577 0.5,578 1,579 0.739,580 117.288,581 -0.056,582 -0.117,583 0.054,584 -0.028,585 -0.192,586 0.02,587 0.001,588 0.311,589 0.104,590 0.242,591 0.151,592 0.191,593 -0.118,594 -0.065,595 -0.067,596 -0.034,597 -0.075,598 -0.043,599 -0.02,600 -0.146,601 -0.104,602 -0.159,603 -0.059,604 -0.147,605 -0.027,606 -0.157,607 0.043,608 -0.05,609 0.037,610 -0.005,611 0.139,612 0.016,613 -0.03,614 -0.042,615 0.06,616 -0.056,617 -0.097,618 -0.201,619 -0.153,620 -0.215,621 -0.038,622 -0.191,623 -0.039,624 0.076,625 -0.222,626 -0.093,627 -0.225,628 -0.158,629 1.408,630 1.896,631 0.84,632 17.734,633 0.998,634 1.119,635 2.852,636 8.131,637 0.693,638 3.367,639 3.714,640 4.043,641 4.369,642 4.644,643 4.745,644 4.898,645 5.004,646 5.017,647 5.037,648 5.201,649 0.663,650 330.42,651 3.367,652 4.92,653 5.796,654 6.698,655 7.597,656 8.509,657 9.416,658 10.332,659 11.244,660 12.161,661 9.3,665 1,669 1,671 2,674 2,675 10,676 2,680 6,681 1,682 22,691 1,697 1,699 43,700 22,701 2,702 28,704 46,705 20,706 18,707 4,708 8,710 4,711 5,721 18,722 2,733 1,736 18,737 4,738 2,739 5,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,781 2,785 25,786 1,791 1,801 2.3,806 1,808 12.5,809 8.433,810 5.5,811 2.36,812 4.441,813 1.591,814 1.033,815 3.902,816 11.959,817 3.689,818 4.373,819 5.059,820 5.736,821 6.34,822 6.713,823 7.208,824 7.662,825 7.975,826 8.346,827 0.833,828 42,829 9.158,831 3.857,832 7.613,833 17.578,835 14.359,837 2.113,838 52.833,841 1,842 188.338,843 137.357,844 68.367,846 11,849 137.357,850 199.338,851 68.367,852 19.279,854 117.755,855 45.342,856 42.076,857 15.814,858 164.795,860 188.338,861 205.725,862 11,865 188.338,866 11,869 15.602,870 156.551,871 33.571,873 188.338,874 79.367,875 137.357,878 188.338,879 24.173,880 115.083,882 77.468,883 188.338,884 79.367,885 137.357,887 0.581,888 0.353,889 0.203,890 0.119,891 21,892 9,893 0.065,894 3,895 1,896 1.095,897 3.592,898 222.123,899 0.095,900 21,901 112.096,904 15.67,905 6.226,906 2.747,907 2.276,908 77.468,909 19.967,910 8.754,914 4.807,915 2.096,916 32.897,917 405.062,918 39,926 42.92,927 48.109,928 0.274,929 0.651,930 0.827,931 0.93,932 0.951,933 0.951,934 4.916,935 1.292,936 5.79,937 4.12,938 4.394,939 5.059,940 0.908,941 6.648,942 4.321,943 6.155,944 1.135,945 7.373,946 3.152,947 4.007,948 4.913,950 7.636,951 3.899,952 7.484,953 1.085,954 9.059,955 2.744,956 6.023,957 7.371,958 0.739,959 10.79,960 5.894,961 8.854,962 0.742,963 10.807,964 2.528,965 6.479,966 8.083,968 12.64,969 6.325,970 10.258,971 0.429,972 12.595,973 1.883,974 7.965,975 9.992,976 0.593,977 15.319,978 7.796,979 11.687,980 -0.085,981 14.412,982 0.623,983 8.811,984 11.122,986 17.52,987 8.623,988 13.136,989 -0.57,990 16.25,991 -0.21,992 10.091,993 12.8,994 0.469,995 20.041,996 9.889,997 3.296,998 -0.626,999 18.105,1000 -1.346,1001 11.118,1002 14.137,1004 22.385,1005 10.898,1006 2.958,1007 11.734,1008 19.972,1009 -1.486,1010 12.322,1011 15.717,1012 0.366,1013 24.855,1014 12.086,1015 2.554,1016 10.066,1017 21.85,1018 4.656,1019 13.43,1020 17.153,1022 27.258,1023 13.176,1024 2.189,1025 7.776,1026 23.736,1027 4.077,1028 14.609,1029 18.695,1030 0.283,1031 29.712,1032 14.338,1033 2.101,1034 6.544,1035 25.629,1036 3.536,1037 15.753,1038 20.177,1040 32.141,1041 15.464,1042 1.884,1043 6.055,1044 27.527,1045 2.917,1046 16.927,1047 21.707,1048 0.217,1049 34.592,1050 16.619,1051 1.491,1052 5.266,1053 29.43,1054 2.793,1055 18.089,1056 23.212,1058 37.034,1059 17.762,1060 6146,1061 9908,1062 18.898,1063 29.807,1064 42.607,1065 42.714,1066 44.111,1067 42.298,1068 42.312,1069 58.962,1070 1.72,1071 124.979,1072 40.634,1073 5.434,1074 5.309,1075 6.616,1076 5.346,1077 5.296,1078 7.656,1079 1.72,1080 19.382,1081 5.227,1082 10.892,1083 1.522,1084 1.525,1085 1.575,1086 1.511,1087 1.511,1088 2.106,1089 0.061,1090 4.464,1091 1.451,1092 4.161,1093 4.193,1094 4.129,1095 4.079,1096 5.234,1097 4.087,1098 3.944,1099 3.971,1100 3.899,1101 3.871,1102 4.93,1103 3.873,1104 3.704,1105 3.753,1106 3.658,1107 3.551,1108 4.856,1109 3.57,1110 3.445,1111 3.513,1112 3.332,1113 3.286,1114 4.564,1115 3.291,1116 3.251,1117 3.317,1118 3.087,1119 2.974,1120 4.334,1121 2.989,1122 3.109,1123 3.191,1124 2.976,1125 2.935,1126 4.284,1127 2.933,1128 2.999,1129 3.078,1130 2.865,1131 2.83,1132 3.955,1133 2.834,1134 2.796,1135 2.881,1136 2.577,1137 2.639,1138 3.697,1139 2.611,1140 0.168,1141 0.118,1142 0.248,1143 0.153,1144 0.118,1145 4.71,1146 0.166,1147 3.309,1148 0.031,1149 6.938,1150 0.419,1151 4.274,1152 0.115,1153 3.296,1154 4.656,1155 0.86,1156 11.734,1157 3.227,1158 1.981,1159 1.961,1160 2.055,1161 2.065,1162 1.196,1163 2.061,1164 1.908,1165 1.883,1166 2.008,1167 2.01,1168 1.115,1169 2.01,1170 1.694,1171 1.653,1172 1.805,1173 1.866,1174 0.893,1175 1.851,1176 1.481,1177 1.414,1178 1.672,1179 1.713,1180 0.69,1181 1.707,1182 1.194,1183 1.121,1184 1.565,1185 1.507,1186 0.569,1187 1.526,1188 1.12,1189 1.06,1190 1.353,1191 1.328,1192 0.414,1193 1.342,1194 0.977,1195 0.906,1196 1.231,1197 1.21,1198 0.19,1199 1.231,1200 0.81,1201 0.739,1202 1.093,1203 0.996,1204 0.164,1205 1.033,1206 4.043,1208 5.38,1209 2.398,1210 6.925,1211 4.844,1212 8.563,1213 7.034,1214 10.251,1216 3.686,1220 5.896,1224 5.35,1231 28.488,1232 63.832,1233 151.845,1234 193.065,1235 217.065,1236 221.82,1237 221.82,1238 28.352,1239 7.518,1240 65.96,1241 65.96,1242 23,1243 12.672,1244 4.524,1245 3.585,1246 35.56,1247 75,1248 86,1249 0.23,1250 174.943,1251 287.91,1252 418.621,1253 18098,1255 17.389,1256 0.696,1257 0.564,1258 17.389,1259 14.101,1260 12.169,1261 0.435,1262 0.285,1263 7.872,1264 11.741,1265 7.616,1266 6.372,1267 12.169,1268 7.985,1269 10.936,1270 0.273,1271 0.147,1272 10.936,1273 5.893,1274 9.573,1275 0.171,1276 0.078,1277 9.573,1278 4.34,1279 8.316,1280 0.107,1281 0.04,1282 8.316,1283 3.133,1284 7.118,1285 0.069,1286 0.021,1287 7.118,1288 2.189,1289 0.344,1290 75.94,1291 0.23,1292 23.536,1293 0.684,1294 136,1295 363.983,1296 145.928,1297 360.478,1298 510.18,1299 340,1300 164,1301 391.489,1302 174.152,1303 403.549,1304 590.34,1305 378,1306 5.509} {0 CHEMBL550658,1 1.655,2 9.346,3 4.527,4 20.492,5 94.329,6 9.086,7 0.759,8 3.811,9 3.921,10 3.528,11 3.396,12 5.081,13 3.417,14 4.311,15 4.439,16 3.996,17 3.788,18 6.07,19 3.801,20 4.472,21 4.637,22 3.959,23 3.897,24 5.758,25 3.882,26 4.564,27 4.749,28 3.929,29 3.866,30 5.912,31 3.853,32 4.529,33 4.74,34 3.827,35 3.806,36 5.758,37 3.781,38 4.411,39 4.603,40 3.797,41 3.768,42 5.625,43 3.738,44 4.451,45 4.655,46 3.717,47 3.704,48 5.726,49 3.664,50 4.448,51 4.702,52 3.59,53 3.474,54 5.913,55 3.427,56 0.152,57 0.822,58 4.892,59 3.217,60 27.215,61 3.227,62 0.773,63 1.649,64 10.015,65 5.678,66 130.279,67 5.762,68 0.346,69 1.452,70 12.847,71 6.858,72 38.362,73 7.781,74 0.59,75 1.589,76 16.311,77 7.532,78 77.225,79 7.906,80 0.595,81 1.399,82 17.84,83 7.077,84 87.14,85 8.017,86 0.372,87 1.226,88 13,89 5.905,90 44.434,91 7.042,92 0.411,93 1.309,94 14.404,95 6.395,96 48.907,97 7.459,98 0.813,99 1.343,100 19.538,101 6.593,102 101.229,103 8.25,104 18,105 43,106 0.289,107 0.594,108 0.758,109 0.848,110 0.857,111 0.857,112 3.305,113 0.807,114 -4.98,115 -4.88,116 -4.58,119 48.7,127 1,133 8,134 5,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 12,161 1,162 3,163 2,164 2,166 3,168 14,172 3,176 2,178 11,182 6,185 1,187 4,190 6,192 2,194 7,199 3,202 7,204 2,206 4,209 1,210 1,211 5,212 1,213 8,215 3,217 2,222 6,224 8,226 4,229 1,234 3,237 7,239 2,250 4,255 998,256 17.264,257 17.264,258 17.264,259 17.264,260 17.264,261 14.772,262 7.617,263 9.902,264 17.721,265 14.321,266 14.321,267 14.321,268 14.321,269 14.321,270 10.592,271 6.654,272 4.683,273 15.145,274 3.63,275 1.884,276 0.942,277 0.43,278 0.378,279 0.378,280 3.999,284 1,285 528,286 3.162,288 48.516,289 219.512,291 93.053,295 1.45,296 38.378,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 58.5,307 243,308 4.651,309 4.46,310 7.112,311 4.237,312 3.32,313 4.56,314 3.825,315 11.665,316 3.195,317 4.447,318 3.246,319 6.873,320 4.161,321 3.236,322 4.057,324 11.492,325 2.91,326 4.271,327 2.878,328 6.346,329 3.843,330 2.865,331 3.741,333 9.628,334 2.758,335 3.756,336 2.458,337 5.577,338 3.318,339 2.374,340 3.162,342 7.201,343 2.237,344 3.484,345 2.178,346 5.033,347 3.042,348 2.096,349 2.856,351 5.928,352 1.973,353 3.161,354 1.973,355 4.748,356 2.718,357 1.775,358 2.393,360 5.09,361 1.642,362 3.046,363 1.546,364 4.519,365 2.519,366 1.546,367 2.318,369 4.187,370 1.501,371 2.829,372 1.455,373 4.181,374 2.354,375 1.385,376 1.964,378 3.601,379 1.328,380 2.648,381 1.23,382 3.859,383 2.15,384 1.191,385 1.71,386 3.052,387 1.133,388 2.5,389 1,390 3.56,391 2,392 1,393 1.5,394 2.496,395 1,396 2.5,397 1,398 3.414,399 1.953,400 1,401 1.5,402 2.275,403 0.95,404 1.983,405 0.51,406 3.105,407 1.461,408 0.502,409 0.738,411 1.204,412 0.48,413 1.288,414 0.51,415 2.888,416 0.903,417 -0.039,418 -0.05,420 -0.096,421 -0.037,422 0.79,423 0.505,424 2.596,425 0.368,426 -0.589,427 -0.748,429 -1.427,430 -0.559,431 0.766,432 0.09,433 2.385,434 0.318,435 -0.638,436 -0.867,438 -1.688,439 -0.611,440 11.957,441 0.46,442 0.826,443 0.032,444 37.5,445 1.442,446 20.5,447 0.788,448 17,449 0.654,450 17.278,451 0.665,452 27.043,453 0.693,454 29.664,455 1.141,456 7.658,457 0.295,458 4.774,459 0.184,460 0.105,461 0.042,462 0.335,463 3,466 0.608,467 0.861,468 0.61,469 0.828,470 0.64,471 0.746,472 0.363,473 0.648,474 0.632,475 0.863,476 0.338,477 0.873,478 0.579,479 0.899,480 0.776,481 1.045,482 0.485,483 1.015,484 1.003,485 1.018,486 1.09,487 1.069,488 0.955,489 1.101,490 0.886,491 0.844,492 1.015,493 0.875,494 0.821,495 0.946,496 0.472,497 0.73,498 0.875,499 0.978,500 0.389,501 1.052,502 0.681,503 0.95,504 1.042,505 1.186,506 0.61,507 1.237,508 0.821,509 0.764,510 1.041,511 0.96,512 0.937,513 1.062,514 6,515 0.151,516 3.778,517 2.007,518 1.258,519 1.038,520 0.754,521 0.415,522 0.301,523 0.285,524 7482,525 27190,526 2.092,527 33.3,529 8,530 1,531 1,532 3,536 1.695,537 1.938,538 3.181,539 0.974,545 64.559,546 1.655,547 3.401,548 4.343,549 4.856,550 4.907,551 4.907,552 2.687,553 3.825,554 4.671,555 3.374,556 1096.5,557 8.117,558 13230.9,560 1,563 206.131,564 1.619,565 4.616,566 0.207,567 0.01,568 0.088,569 0.047,570 0.031,571 0.028,572 0.021,573 0.013,574 0.013,575 0.017,576 0.475,577 0.33,578 1,579 0.777,580 125.087,581 -0.071,582 -0.005,583 -0.003,584 0.078,585 -0.137,586 0.081,587 0.471,588 0.359,589 0.101,590 0.083,591 0.481,592 -0.025,593 -0.014,594 -0.12,595 0.013,596 -0.102,597 0.044,598 -0.055,599 -0.14,600 -0.085,601 -0.189,602 -0.106,603 -0.107,604 -0.146,605 -0.134,606 -0.018,607 -0.069,608 0.073,609 -0.108,610 0.055,611 -0.005,612 -0.052,613 -0.057,614 -0.092,615 0.007,616 -0.095,617 -0.057,618 -0.205,619 -0.137,620 -0.265,621 -0.022,622 -0.244,623 0.192,624 0.137,625 0.115,626 0.024,627 0.069,628 0.017,629 5.629,630 4.807,631 0.808,632 20.905,633 1.032,634 1.141,635 3.751,636 14.072,637 0.703,638 3.401,639 3.784,640 4.06,641 4.344,642 4.595,643 4.736,644 4.898,645 4.99,646 5.043,647 5.153,648 5.727,649 0.702,650 354.36,651 3.401,652 4.977,653 5.844,654 6.751,655 7.639,656 8.549,657 9.445,658 10.357,659 11.256,660 12.169,661 10.3,665 1,669 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,691 1,699 39,700 22,701 2,702 29,704 42,705 19,706 18,707 4,708 8,710 4,711 5,715 1,718 1,721 18,722 1,733 1,734 3,736 13,737 6,738 3,739 7,743 4,747 0.75,755 1,756 1,759 1,760 3,762 1,777 3,783 3,785 26,786 1,795 1,800 3,808 13.417,809 6.995,810 5.472,811 2.15,812 4.461,813 1.587,814 1.067,815 3.841,816 12.059,817 3.714,818 4.398,819 5.054,820 5.706,821 6.297,822 6.69,823 7.19,824 7.629,825 7.96,826 8.39,827 1,828 43,829 9.966,831 4.761,832 8.234,833 17.51,835 14.598,837 2.734,838 71.083,842 117.711,843 123.78,844 83.254,847 44.88,849 123.78,850 117.711,851 128.134,854 117.755,855 45.342,856 88.785,857 15.814,858 94.169,859 7.76,860 117.711,861 207.033,862 44.88,865 117.711,866 44.88,869 38.248,870 135.214,871 33.571,873 162.591,874 83.254,875 123.78,878 125.471,879 22.115,880 93.905,881 16.786,882 111.349,883 117.711,884 128.134,885 123.78,887 0.599,888 0.343,889 0.182,890 0.101,891 23,892 10,893 0.048,894 2,895 1,896 1.095,897 3.682,898 231.501,899 0.095,900 21,901 113.457,904 16.467,905 6.064,906 3.025,907 1.872,908 111.349,909 15.941,910 8.349,911 3.164,914 1.961,916 49.683,917 369.625,918 40,926 40.247,927 44.504,928 0.313,929 0.644,930 0.822,931 0.919,932 0.928,933 0.928,934 4.966,935 1.385,936 5.883,937 4.187,938 4.466,939 5.085,940 3.037,941 6.77,942 4.365,943 6.225,944 1.191,945 7.497,946 3.601,947 4.29,948 4.987,949 3.903,950 7.984,951 4.044,952 7.569,953 1,954 9.223,955 3.052,956 6.18,957 7.384,958 5.42,959 11.03,960 5.97,961 8.951,962 1,963 11.016,964 2.496,965 6.804,966 8.099,967 6.69,968 13.03,969 6.456,970 10.365,971 0.502,972 12.851,973 2.275,974 8.229,975 9.981,976 8.058,977 15.66,978 7.89,979 11.802,980 -0.039,981 14.714,982 1.204,983 9.18,984 11.087,985 9.388,986 17.936,987 8.734,988 13.255,989 -0.589,990 16.596,991 -0.096,992 10.442,993 12.747,994 10.734,995 20.439,996 9.976,997 3.32,998 -0.638,999 18.493,1000 -1.427,1001 11.529,1002 14.049,1003 12.074,1004 22.817,1005 10.979,1006 3.236,1007 11.665,1008 20.4,1009 -1.688,1010 12.734,1011 15.61,1012 13.416,1013 25.279,1014 12.147,1015 2.865,1016 11.492,1017 22.315,1018 4.56,1019 13.875,1020 17.011,1021 14.758,1022 27.696,1023 13.221,1024 2.374,1025 9.628,1026 24.235,1027 4.057,1028 15.062,1029 18.531,1030 16.1,1031 30.146,1032 14.364,1033 2.096,1034 7.201,1035 26.161,1036 3.741,1037 16.227,1038 19.981,1039 17.441,1040 32.579,1041 15.471,1042 1.775,1043 5.928,1044 28.09,1045 3.162,1046 17.409,1047 21.486,1048 18.783,1049 35.026,1050 16.607,1051 1.546,1052 5.09,1053 30.022,1054 2.856,1055 18.585,1056 22.962,1057 20.124,1058 37.466,1059 17.731,1060 7173,1061 13847,1062 19.186,1063 27.404,1064 45.448,1065 44.482,1066 45.479,1067 44.839,1068 44.579,1069 61,1070 7.651,1071 135.637,1072 42.215,1073 5.381,1074 6.46,1075 6.793,1076 5.309,1077 5.32,1078 7.56,1079 5.335,1080 19.216,1081 5.195,1082 13.122,1083 1.567,1084 1.534,1085 1.568,1086 1.546,1087 1.537,1088 2.103,1089 0.264,1090 4.677,1091 1.456,1092 4.148,1093 4.181,1094 4.114,1095 4.069,1096 8.513,1097 4.076,1098 3.958,1099 3.987,1100 3.919,1101 3.888,1102 7.999,1103 3.889,1104 3.728,1105 3.779,1106 3.702,1107 3.572,1108 7.999,1109 3.594,1110 3.379,1111 3.442,1112 3.317,1113 3.235,1114 5.235,1115 3.24,1116 3.307,1117 3.357,1118 3.277,1119 3.012,1120 4.964,1121 3.067,1122 2.996,1123 3.085,1124 2.894,1125 2.823,1126 4.72,1127 2.823,1128 2.911,1129 2.985,1130 2.795,1131 2.735,1132 4.489,1133 2.715,1134 2.854,1135 2.925,1136 2.687,1137 2.647,1138 4.291,1139 2.686,1140 0.16,1141 0.154,1142 0.245,1143 0.146,1144 0.114,1145 4.651,1146 0.157,1147 4.46,1148 0.132,1149 7.112,1150 0.402,1151 4.237,1152 0.11,1153 3.32,1154 4.56,1155 3.825,1156 11.665,1157 3.195,1158 1.987,1159 1.966,1160 2.059,1161 2.07,1162 1.198,1163 2.065,1164 1.91,1165 1.886,1166 2.008,1167 1.999,1168 1.118,1169 2.003,1170 1.694,1171 1.654,1172 1.775,1173 1.871,1174 0.835,1175 1.845,1176 1.396,1177 1.335,1178 1.545,1179 1.631,1180 0.545,1181 1.614,1182 1.103,1183 1.057,1184 1.258,1185 1.433,1186 0.287,1187 1.356,1188 1.015,1189 0.963,1190 1.181,1191 1.238,1192 0.218,1193 1.214,1194 0.886,1195 0.821,1196 1.176,1197 1.129,1198 0.162,1199 1.133,1200 0.821,1201 0.736,1202 1.07,1203 1.062,1204 0.117,1205 1.107,1206 4.078,1208 5.442,1209 2.398,1210 7,1211 4.727,1212 8.642,1213 6.843,1214 10.326,1218 38.42,1220 5.756,1228 -4.379,1231 27.396,1232 64.559,1233 132.647,1234 169.376,1235 189.376,1236 191.376,1237 191.376,1238 45.725,1239 7.598,1240 67.59,1241 67.59,1242 23,1243 12.685,1244 4.524,1245 3.585,1246 37.861,1247 87,1248 84,1249 0.212,1250 164.949,1251 280.03,1252 394.236,1253 20332,1254 7.7,1255 18.311,1256 0.704,1257 0.515,1258 15.811,1259 13.379,1260 12.432,1261 0.429,1262 0.269,1263 7.665,1264 11.902,1265 7.569,1266 6.222,1267 11.22,1268 7.799,1269 12.173,1270 0.283,1271 0.135,1272 10.215,1273 5.814,1274 9.758,1275 0.171,1276 0.073,1277 8.822,1278 4.175,1279 8.25,1280 0.109,1281 0.038,1282 7.551,1283 2.918,1284 6.745,1285 0.069,1286 0.02,1287 6.459,1288 1.973,1289 0.324,1290 78.445,1291 0.228,1292 24.63,1293 0.61,1294 144,1295 581.269,1296 167.706,1297 491.875,1298 654.24,1299 456,1300 172,1301 472.099,1302 189.137,1303 463.238,1304 700.14,1305 436,1306 5.638} {0 CHEMBL552324,1 1.611,2 6.389,3 2.85,4 8.124,5 80.524,6 12.075,7 0.8,8 3.495,9 3.617,10 3.492,11 3.176,12 4.663,13 3.11,14 3.958,15 4.123,16 3.965,17 3.593,18 5.101,19 3.493,20 4.105,21 4.271,22 4.203,23 3.719,24 5.188,25 3.582,26 4.14,27 4.333,28 4.078,29 3.715,30 5.147,31 3.529,32 4.102,33 4.309,34 4.244,35 3.653,36 5.124,37 3.429,38 4.026,39 4.266,40 3.976,41 3.543,42 5.055,43 3.254,44 3.772,45 4.017,46 3.298,47 3.198,48 4.775,49 2.854,50 3.397,51 3.722,52 1.793,53 2.325,54 4.341,55 2.052,56 0.019,57 0.46,58 0.401,59 2.19,60 6.205,61 2.532,62 0.138,63 0.741,64 4.385,65 4.115,66 13.534,67 4.611,68 0.062,69 0.845,70 15.342,71 5.855,72 10.934,73 5.755,74 0.09,75 0.835,76 5.309,77 5.87,78 10.855,79 6.679,80 0.051,81 0.816,82 19.223,83 7.112,84 12.483,85 7.022,86 0.159,87 0.767,88 35.554,89 8.284,90 17.773,91 6.901,92 0.071,93 0.577,94 50.025,95 8.197,96 14.03,97 6.087,98 0.118,99 0.371,100 16.281,101 3.539,102 19.021,103 3.191,104 10,105 29,106 0.305,107 0.709,108 0.81,109 0.862,110 0.875,111 0.875,112 2.963,113 0.985,114 -3.91,115 -3.86,116 -3.66,119 44.8,123 1,133 4,134 2,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 5,161 1,162 4,163 2,164 2,168 5,172 5,178 5,181 1,182 3,187 1,190 2,192 1,194 4,199 2,202 1,204 2,205 1,206 2,208 1,209 1,211 1,213 2,215 1,217 2,222 2,224 1,226 2,229 1,234 1,239 1,255 338,256 12.069,257 12.069,258 12.069,259 12.069,260 12.069,261 10.101,262 8.085,263 7,264 12.509,265 9.86,266 9.86,267 9.86,268 9.86,269 9.86,270 6.971,271 5.775,272 3.315,273 10.68,274 3.247,275 1.113,276 0.578,277 0.302,278 0.233,279 0.233,280 3.636,284 1,285 247,286 1.871,288 31.224,289 88.368,291 59.96,295 0.944,296 9.223,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 37.4,307 115,308 4.695,309 3.32,310 6.89,311 4.235,312 3.268,313 4.65,315 11.536,316 3.162,317 4.203,318 2.956,319 6.227,320 3.7,321 2.789,322 3.881,324 9.127,325 2.509,326 3.53,327 2.313,328 5.317,329 3.079,330 2.157,331 2.906,333 6.25,334 1.993,335 3.346,336 2.131,337 4.927,338 2.864,339 1.936,340 2.696,342 5.555,343 1.808,344 3.237,345 1.916,346 4.764,347 2.718,348 1.817,349 2.533,351 4.943,352 1.494,353 2.778,354 1.334,355 4.061,356 2.267,357 1.307,358 1.906,360 3.292,361 1.2,362 2.601,363 1.15,364 3.584,365 2.089,366 1.125,367 1.649,369 2.744,370 1.071,371 2.21,372 0.805,373 3.462,374 1.717,375 0.755,376 1.083,378 1.895,379 0.716,380 1.367,381 0.528,382 2.683,383 0.84,384 0.094,385 0.113,386 0.205,387 0.029,388 0.8,389 -0.415,390 2.368,391 0.392,392 -0.57,393 -0.712,394 -1.346,395 -0.47,396 0.758,397 -0.494,398 2.318,399 0.316,400 -0.627,401 -0.823,402 -1.743,403 -0.542,404 0.613,405 -0.689,406 2,407 0.123,408 -0.86,409 -1.196,411 -2.113,412 -0.606,413 0.29,414 -0.859,415 2,416 -0.161,417 -1,418 -1.291,420 -2.465,421 -0.849,422 0.151,423 -1.096,424 1.696,425 -0.314,426 -1.147,427 -1.624,429 -3.225,430 -1.076,431 -0.245,432 -1.373,433 1.322,434 -0.713,435 -1.552,436 -2.058,438 -3.9,439 -1.275,440 9.743,441 0.541,442 0.507,443 0.028,444 26.5,445 1.472,446 14.5,447 0.806,448 12,449 0.667,450 12.76,451 0.709,452 17.257,453 0.595,454 15.029,455 0.835,456 4.977,457 0.277,458 3.687,459 0.205,460 0.261,462 0.349,466 1.068,467 1.152,468 0.455,469 0.527,470 1.193,471 0.688,472 0.866,473 0.705,474 0.553,475 0.519,476 0.48,477 0.605,478 1,479 1.144,480 0.945,481 1.017,482 0.791,483 0.97,484 0.822,485 0.96,486 0.679,487 0.718,488 0.836,489 0.963,490 0.779,491 1.258,492 1.145,493 1.193,494 0.714,495 1.118,496 1.065,497 0.901,498 1.587,499 1.402,500 1.172,501 1.145,502 1.11,503 1.313,504 2.137,505 2.041,506 1.174,507 1.634,508 1.943,509 0.801,510 0.618,511 0.726,512 2.572,513 1.093,514 3.5,516 2.444,517 1.826,518 1.081,519 0.629,520 0.316,521 0.127,522 0.02,524 2501,525 7672,526 2.086,527 37.9,529 7,530 1,531 1,532 2,536 1.594,537 1.929,538 2.735,539 0.429,541 1,543 1,544 1,545 46.722,546 1.611,547 3.745,548 4.28,549 4.556,550 4.625,551 4.625,552 2.135,553 3.837,554 4.146,555 2.797,556 427.959,557 7.069,558 3930.3,559 1,560 1,561 1,562 1,563 140.881,564 1.481,565 4.09,566 0.175,568 0.084,569 0.063,570 0.043,571 0.029,572 0.019,573 0.014,574 0.01,576 0.437,577 0.67,578 1,579 0.662,580 73.916,581 -0.127,582 -0.122,583 -0.003,584 0.009,585 -0.279,586 0.024,587 0.18,588 0.331,589 0.015,590 0.123,591 0.272,592 0.181,593 -0.119,594 -0.152,595 -0.019,596 -0.109,597 -0.039,598 -0.085,599 -0.013,600 -0.024,601 0.016,602 0.042,603 -0.078,604 -0.065,605 0.04,606 -0.328,607 0.004,608 -0.093,609 0.109,610 -0.103,611 0.02,612 0.099,613 -0.105,614 -0.045,615 -0.076,616 -0.06,617 -0.141,618 -0.35,619 -0.265,620 -0.395,621 -0.039,622 -0.448,623 -0.501,624 0.151,625 -0.043,626 0.002,627 -0.671,628 -0.092,629 1.363,630 1.683,631 0.833,632 9.889,633 1,634 1.116,635 2.676,636 7.163,637 0.784,638 3.045,639 3.401,640 3.714,641 4.025,642 4.263,643 4.263,644 4.331,645 4.344,646 4.22,647 4.111,648 4.065,649 0.707,650 350.18,651 3.045,652 4.595,653 5.468,654 6.372,655 7.269,656 8.178,657 9.083,658 9.994,659 10.903,660 11.814,661 13.8,665 1,669 1,671 2,674 2,675 6,676 2,680 4,681 1,682 16,691 1,698 1,699 29,700 16,701 1,702 20,704 31,705 13,706 12,707 2,708 4,710 3,711 4,721 12,722 1,733 1,736 11,737 3,738 2,739 5,740 1,741 1,743 4,747 0.667,755 1,756 1,759 1,760 2,762 1,777 2,781 1,784 1,785 18,786 1,800 1,808 9.333,809 5.576,810 3.889,811 1.569,812 3.202,813 1.489,814 1.057,815 2.892,816 9.756,817 3.367,818 4.073,819 4.755,820 5.428,821 6.002,822 6.319,823 6.752,824 7.156,825 7.335,826 7.605,827 1,828 29,829 6.584,831 2.758,832 7.618,833 12.646,835 10.308,837 2.118,838 38.12,839 0.002,842 105.94,843 135.396,844 68.367,848 56.782,849 78.614,850 105.94,851 68.367,852 8.396,854 79.85,855 45.342,856 21.121,857 15.814,858 139.18,860 105.94,861 146.982,864 56.782,865 105.94,869 15.602,870 97.808,871 33.571,872 56.782,873 105.94,874 68.367,875 78.614,876 56.782,878 105.94,879 14.218,880 123.077,882 66.468,883 105.94,884 68.367,885 78.614,886 56.782,887 0.591,888 0.355,889 0.202,890 0.118,891 16,892 7,893 0.032,894 1,895 1,896 1.133,897 2.961,898 136.883,899 0.133,900 15,901 71.059,904 11.773,905 4.422,906 1.977,907 2.358,908 66.468,909 12.082,910 8.356,914 3.281,915 2.096,916 32.897,917 309.704,918 28,926 29.011,927 32.375,928 0.332,929 0.771,930 0.881,931 0.938,932 0.952,933 0.952,934 4.595,935 0.755,936 5.476,937 2.744,938 4.078,939 4.758,941 6.34,942 3.935,943 5.849,944 0.094,945 7.069,946 1.895,947 3.761,948 4.691,950 7.345,951 3.501,952 7.188,953 -0.57,954 8.765,955 0.205,956 5.714,957 7.101,959 10.497,960 5.476,961 8.567,962 -0.627,963 10.52,964 -1.346,965 6.217,966 7.879,968 12.358,969 5.898,970 9.98,971 -0.86,972 12.315,973 -1.743,974 7.675,975 9.763,977 15.036,978 7.363,979 11.419,980 -1,981 14.138,982 -2.113,983 8.553,984 10.945,986 17.241,987 8.19,988 12.877,989 -1.147,990 15.981,991 -2.465,992 9.823,993 12.612,995 19.759,996 9.451,997 3.268,998 -1.552,999 17.839,1000 -3.225,1001 10.868,1002 13.984,1004 22.102,1005 10.461,1006 2.789,1007 11.536,1008 19.71,1009 -3.9,1010 12.069,1011 15.564,1013 24.566,1014 11.644,1015 2.157,1016 9.127,1017 21.59,1018 4.65,1019 13.187,1020 17.021,1022 26.964,1023 12.733,1024 1.936,1025 6.25,1026 23.478,1027 3.881,1028 14.366,1029 18.567,1031 29.411,1032 13.89,1033 1.817,1034 5.555,1035 25.372,1036 2.906,1037 15.515,1038 20.064,1040 31.834,1041 15.013,1042 1.307,1043 4.943,1044 27.271,1045 2.696,1046 16.689,1047 21.599,1049 34.276,1050 16.162,1051 1.125,1052 3.292,1053 29.175,1054 2.533,1055 17.852,1056 23.114,1058 36.71,1059 17.3,1060 2483,1061 4451,1062 13.235,1063 22.728,1064 30.798,1065 31.025,1066 32.064,1067 30.698,1068 30.497,1069 42.833,1071 91.093,1072 27.966,1073 5.362,1074 5.32,1075 6.568,1076 5.307,1077 5.268,1078 7.65,1080 19.017,1081 5.162,1082 8.367,1083 1.54,1084 1.551,1085 1.603,1086 1.535,1087 1.525,1088 2.142,1090 4.555,1091 1.398,1092 4.15,1093 4.183,1094 10.695,1095 4.098,1096 5.23,1097 4.077,1098 3.785,1099 3.837,1100 4.108,1101 3.879,1102 4.923,1103 3.682,1104 3.445,1105 3.513,1106 3.687,1107 3.319,1108 4.565,1109 3.294,1110 3.113,1111 3.196,1112 3.332,1113 3.173,1114 4.288,1115 2.938,1116 2.982,1117 3.067,1118 2.969,1119 2.934,1120 3.955,1121 2.839,1122 2.796,1123 2.881,1124 2.729,1125 2.639,1126 3.691,1127 2.61,1128 2.55,1129 2.629,1130 2.576,1131 2.447,1132 3.516,1133 2.378,1134 2.359,1135 2.449,1136 2.443,1137 2.363,1138 3.435,1139 2.178,1140 0.235,1141 0.166,1142 0.344,1143 0.212,1144 0.163,1145 4.695,1146 0.232,1147 3.32,1149 6.89,1150 0.577,1151 4.235,1152 0.158,1153 3.268,1154 4.65,1156 11.536,1157 3.162,1158 1.951,1159 1.929,1160 2.035,1161 2.031,1162 1.175,1163 2.034,1164 1.772,1165 1.732,1166 1.822,1167 1.935,1168 0.942,1169 1.915,1170 1.49,1171 1.422,1172 1.666,1173 1.714,1174 0.713,1175 1.712,1176 1.12,1177 1.06,1178 1.353,1179 1.323,1180 0.41,1181 1.341,1182 0.932,1183 0.851,1184 1.175,1185 1.187,1186 0.188,1187 1.214,1188 0.808,1189 0.737,1190 1.082,1191 0.995,1192 0.089,1193 1.03,1194 0.686,1195 0.599,1196 1.009,1197 0.911,1199 0.954,1200 0.383,1201 0.302,1202 0.63,1203 0.666,1205 0.661,1206 3.714,1208 5.056,1209 2.398,1210 6.603,1211 4.844,1212 8.242,1213 7.034,1214 9.93,1216 2.031,1219 2.233,1220 5.683,1231 20.51,1232 46.722,1233 108.617,1234 124.127,1235 132.127,1236 134.127,1237 134.127,1238 17.742,1239 6.554,1240 56.73,1241 56.73,1242 17,1243 12.329,1244 4.087,1245 3.17,1246 25.503,1247 43,1248 38,1249 0.304,1250 137.561,1251 214.48,1252 327.409,1253 4992,1254 3.4,1255 12.698,1256 0.705,1257 0.662,1258 14.198,1259 11.919,1260 8.665,1261 0.433,1262 0.328,1263 5.485,1264 7.732,1265 5.258,1266 4.376,1267 9.531,1268 6.569,1269 8.048,1270 0.278,1271 0.181,1272 9.161,1273 5.258,1274 6.87,1275 0.172,1276 0.093,1277 7.945,1278 3.704,1279 5.871,1280 0.107,1281 0.048,1282 6.695,1283 2.65,1284 5.045,1285 0.072,1286 0.027,1287 6.152,1288 1.897,1289 0.444,1290 67.366,1291 0.275,1292 17.448,1293 0.936,1294 98,1295 261.896,1296 253.959,1297 304.762,1298 416.46,1299 284,1300 118,1301 290.253,1302 186.077,1303 313.458,1304 460.22,1305 294,1306 6.398} {0 CHEMBL552407,1 1.504,2 8.5,3 3.568,4 12.731,5 94.819,6 7.91,7 0.815,8 3.813,9 3.928,10 3.441,11 3.399,12 4.995,13 3.393,14 4.275,15 4.42,16 3.788,17 3.779,18 5.423,19 3.755,20 4.441,21 4.61,22 3.826,23 3.892,24 5.506,25 3.844,26 4.495,27 4.676,28 3.802,29 3.897,30 5.555,31 3.833,32 4.555,33 4.771,34 3.8,35 3.879,36 5.578,37 3.816,38 4.508,39 4.704,40 3.804,41 3.837,42 5.644,43 3.782,44 4.505,45 4.73,46 3.589,47 3.752,48 5.558,49 3.664,50 4.428,51 4.691,52 3.282,53 3.532,54 5.422,55 3.404,56 0.031,57 0.596,58 7.197,59 3.233,60 8.481,61 3.974,62 0.169,63 0.927,64 12.801,65 5.516,66 19.479,67 6.819,68 0.11,69 1.075,70 15.691,71 6.585,72 15.746,73 8.457,74 0.117,75 1.141,76 16.782,77 7.01,78 18.635,79 9.2,80 0.145,81 1.193,82 19.518,83 7.395,84 22.133,85 10.014,86 0.271,87 1.166,88 17.799,89 6.678,90 27.994,91 8.886,92 0.162,93 1.13,94 18.719,95 6.772,96 28.229,97 9.128,98 0.302,99 0.979,100 19.422,101 6.639,102 35.901,103 9.194,104 6,105 38,106 0.261,107 0.606,108 0.771,109 0.875,110 0.895,111 0.895,112 3.23,113 0.844,114 -3.85,115 -3.81,116 -3.62,119 47.5,123 1,133 8,134 4,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 10,161 1,162 5,163 2,164 2,166 3,168 12,172 5,176 2,178 9,182 8,185 1,187 4,190 6,192 2,194 5,199 3,202 6,204 2,205 2,206 5,209 1,210 1,211 5,212 1,213 7,215 3,217 3,222 4,224 7,226 3,229 2,231 1,232 2,234 3,237 5,239 2,242 2,250 3,255 812,256 16.662,257 16.662,258 16.662,259 16.662,260 16.662,261 14.131,262 7.476,263 9.81,264 17.047,265 13.291,266 13.291,267 13.291,268 13.291,269 13.291,270 9.482,271 7.151,272 4.581,273 13.817,274 3.818,275 1.837,276 0.888,277 0.288,278 0.169,279 0.169,280 3.93,283 1,284 1,285 448,286 2.236,288 42.352,289 191.497,291 81.606,295 1.167,296 14.531,297 1,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 51,307 204,308 4.65,309 3.252,310 6.875,311 4.23,312 3.246,313 4.56,314 0.86,315 11.506,316 3.195,317 4.321,318 2.95,319 6.355,320 3.879,321 2.895,322 4.052,324 9.674,325 2.85,326 3.943,327 2.742,328 5.645,329 3.485,330 2.536,331 3.529,333 7.553,334 2.408,335 3.539,336 2.35,337 5.234,338 3.109,339 2.187,340 2.903,342 6.363,343 2.015,344 3.424,345 2.102,346 5.02,347 3.013,348 2.046,349 2.76,351 5.925,352 1.968,353 3.046,354 1.583,355 4.574,356 2.52,357 1.547,358 2.319,360 4.297,361 1.503,362 2.939,363 1.545,364 4.183,365 2.464,366 1.489,367 2.13,369 3.65,370 1.446,371 2.754,372 1.313,373 3.86,374 2.261,375 1.286,376 1.871,378 3.091,379 1.252,380 2.579,381 1.11,382 3.56,383 2.077,384 1.093,385 1.618,386 2.535,387 1.074,388 2.5,389 1,390 3.483,391 1.953,392 1,393 1.5,394 2.492,395 0.95,396 1.982,397 0.935,398 3.102,399 1.459,400 0.5,401 0.735,402 1.199,403 0.478,404 1.583,405 0.499,406 2.777,407 1.293,408 0.428,409 0.481,411 0.623,412 0.367,413 1.245,415 2.658,416 0.848,417 -0.094,418 -0.12,420 -0.23,421 -0.088,422 0.772,423 -0.387,424 2.4,425 0.32,426 -0.626,427 -0.817,429 -1.485,430 -0.591,431 0.666,432 -0.58,433 2.214,434 0.238,435 -0.718,436 -0.937,438 -1.669,439 -0.673,440 11.433,441 0.476,442 0.5,443 0.021,444 36.75,445 1.531,446 21,447 0.875,448 15.75,449 0.656,450 14.783,451 0.616,452 23.967,453 0.599,454 25.909,455 1.08,456 7.463,457 0.311,458 4.295,459 0.179,460 0.079,462 0.35,466 0.998,467 1.098,468 0.749,469 0.893,470 1.113,471 0.799,472 1.054,473 0.845,474 0.814,475 0.826,476 0.742,477 0.807,478 1.012,479 1.078,480 0.929,481 0.984,482 0.85,483 0.953,484 0.853,485 1.163,486 1.003,487 1.126,488 0.893,489 1.092,490 0.918,491 1.092,492 0.879,493 0.948,494 0.857,495 0.909,496 0.881,497 1.101,498 0.998,499 1.044,500 0.967,501 1.035,502 1.101,503 1.138,504 1.164,505 1.129,506 1.294,507 1.137,508 1.073,509 0.877,510 1.143,511 1.001,512 1.214,513 1.061,514 4,515 0.021,516 2.667,517 1.632,518 1.178,519 0.858,520 0.572,521 0.315,522 0.203,523 0.066,524 5904,525 15452,526 2.161,527 40,529 11,530 1,531 1,532 3,536 1.677,537 2.057,538 3.074,539 0.957,541 1,543 1,545 60.167,546 1.504,547 3.485,548 4.434,549 5.034,550 5.153,551 5.153,552 2.459,553 4.502,554 4.557,555 3.173,556 875.866,557 7.906,558 9945.71,559 1,560 1,561 1,562 1,563 212.877,564 1.281,565 4.532,566 0.148,567 0.005,568 0.07,569 0.042,570 0.032,571 0.023,572 0.016,573 0.011,574 0.011,575 0.007,576 0.365,577 0.5,578 1,579 0.681,580 111.194,581 -0.103,582 -0.012,583 0.036,584 0.035,585 -0.216,586 0.056,587 0.029,588 0.194,589 0.044,590 0.124,591 0.108,592 0.084,593 -0.119,594 -0.067,595 -0.05,596 -0.021,597 -0.062,598 -0.026,599 -0.035,600 -0.154,601 -0.112,602 -0.167,603 -0.079,604 -0.155,605 -0.048,606 -0.097,607 0.081,608 0.018,609 0.031,610 0.06,611 0.168,612 -0.057,613 -0.06,614 -0.115,615 0.116,616 -0.121,617 -0.149,618 -0.127,619 -0.189,620 -0.184,621 -0.162,622 -0.184,623 0.064,624 0.068,625 -0.07,626 -0.022,627 -0.018,628 -0.051,629 1.415,630 1.855,631 0.875,632 16.5,633 1.001,634 1.117,635 2.624,636 6.886,637 0.701,638 3.332,639 3.664,640 3.989,641 4.304,642 4.564,643 4.663,644 4.804,645 4.92,646 4.92,647 4.956,648 5.129,649 0.674,650 316.39,651 3.332,652 4.875,653 5.746,654 6.64,655 7.532,656 8.435,657 9.335,658 10.242,659 11.146,660 12.055,661 10,665 1,669 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,691 1,697 1,699 40,700 22,701 2,702 27,704 43,705 19,706 18,707 4,708 8,710 4,711 5,721 18,722 1,732 1,733 1,736 16,737 4,738 3,739 5,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,781 1,785 24,786 1,791 1,801 2.5,806 1,808 11.667,809 7.483,810 5.306,811 2.189,812 4.447,813 1.599,814 1.05,815 3.673,816 11.874,817 3.664,818 4.334,819 5.015,820 5.684,821 6.276,822 6.645,823 7.134,824 7.597,825 7.894,826 8.292,827 0.833,828 39,829 8.784,831 3.72,832 7.639,833 16.797,835 13.748,837 2.139,838 51.333,841 1,842 153.024,843 128.961,844 83.254,846 11,849 128.961,850 164.024,851 83.254,852 10.883,854 117.755,855 45.342,856 56.963,857 15.814,858 129.482,860 153.024,861 212.215,862 11,865 153.024,866 11,869 30.489,870 148.155,871 33.571,873 153.024,874 94.254,875 128.961,878 153.024,879 24.173,880 104.788,881 16.786,882 77.468,883 153.024,884 94.254,885 128.961,887 0.577,888 0.349,889 0.2,890 0.115,891 20,892 8,893 0.07,894 3,895 1,896 1.095,897 3.562,898 208.206,899 0.095,900 21,901 110.039,904 14.729,905 5.984,906 2.648,907 2.154,908 77.468,909 19.655,910 8.681,911 3.281,914 4.726,916 49.683,917 376.239,918 38,926 40.036,927 44.694,928 0.283,929 0.655,930 0.833,931 0.946,932 0.968,933 0.968,934 4.879,935 1.286,936 5.727,937 3.65,938 4.344,939 5.021,940 0.908,941 6.567,942 4.277,943 6.108,944 1.093,945 7.296,946 3.091,947 3.892,948 4.808,950 7.526,951 3.806,952 7.427,953 1,954 8.969,955 2.535,956 5.953,957 7.315,958 0.739,959 10.671,960 5.84,961 8.788,962 0.5,963 10.706,964 2.492,965 6.365,966 7.979,968 12.501,969 6.241,970 10.183,971 0.428,972 12.484,973 1.199,974 7.869,975 9.91,976 0.593,977 15.164,978 7.727,979 11.603,980 -0.094,981 14.293,982 0.623,983 8.682,984 10.998,986 17.343,987 8.533,988 13.043,989 -0.626,990 16.123,991 -0.23,992 9.965,993 12.681,994 0.469,995 19.849,996 9.801,997 3.246,998 -0.718,999 17.969,1000 -1.485,1001 10.965,1002 13.981,1004 22.172,1005 10.793,1006 2.895,1007 11.506,1008 19.829,1009 -1.669,1010 12.163,1011 15.555,1012 0.366,1013 24.625,1014 11.977,1015 2.536,1016 9.674,1017 21.698,1018 4.56,1019 13.249,1020 16.958,1022 27.008,1023 13.053,1024 2.187,1025 7.553,1026 23.576,1027 4.052,1028 14.417,1029 18.487,1030 0.283,1031 29.446,1032 14.208,1033 2.046,1034 6.363,1035 25.461,1036 3.529,1037 15.543,1038 19.941,1040 31.856,1041 15.322,1042 1.547,1043 5.925,1044 27.351,1045 2.903,1046 16.703,1047 21.453,1048 0.217,1049 34.29,1050 16.468,1051 1.489,1052 4.297,1053 29.246,1054 2.76,1055 17.849,1056 22.932,1058 36.714,1059 17.6,1060 5617,1061 9195,1062 18.493,1063 28.046,1064 40.744,1065 40.874,1066 41.855,1067 40.464,1068 40.506,1069 56.915,1070 1.72,1071 117.816,1072 39.013,1073 5.373,1074 5.252,1075 6.556,1076 5.302,1077 5.246,1078 7.56,1079 1.72,1080 19.062,1081 5.195,1082 8.758,1083 1.509,1084 1.514,1085 1.55,1086 1.499,1087 1.5,1088 2.108,1089 0.064,1090 4.364,1091 1.445,1092 4.148,1093 4.18,1094 4.113,1095 4.067,1096 5.236,1097 4.075,1098 3.941,1099 3.968,1100 3.895,1101 3.869,1102 4.966,1103 3.871,1104 3.703,1105 3.752,1106 3.657,1107 3.551,1108 4.86,1109 3.57,1110 3.379,1111 3.442,1112 3.278,1113 3.232,1114 4.564,1115 3.238,1116 3.25,1117 3.316,1118 3.085,1119 2.973,1120 4.335,1121 2.988,1122 3.048,1123 3.138,1124 2.921,1125 2.846,1126 4.288,1127 2.857,1128 2.935,1129 2.997,1130 2.823,1131 2.809,1132 3.928,1133 2.804,1134 2.77,1135 2.848,1136 2.575,1137 2.623,1138 3.685,1139 2.6,1140 0.172,1141 0.12,1142 0.255,1143 0.157,1144 0.12,1145 4.65,1146 0.169,1147 3.252,1148 0.032,1149 6.875,1150 0.426,1151 4.23,1152 0.118,1153 3.246,1154 4.56,1155 0.86,1156 11.506,1157 3.195,1158 1.98,1159 1.96,1160 2.054,1161 2.065,1162 1.191,1163 2.06,1164 1.902,1165 1.878,1166 2.003,1167 1.996,1168 1.102,1169 1.999,1170 1.679,1171 1.639,1172 1.773,1173 1.856,1174 0.818,1175 1.836,1176 1.394,1177 1.332,1178 1.572,1179 1.631,1180 0.579,1181 1.614,1182 1.194,1183 1.12,1184 1.54,1185 1.507,1186 0.525,1187 1.526,1188 1.027,1189 0.967,1190 1.251,1191 1.284,1192 0.284,1193 1.287,1194 0.968,1195 0.903,1196 1.172,1197 1.143,1198 0.165,1199 1.158,1200 0.794,1201 0.723,1202 1.087,1203 0.99,1204 0.118,1205 1.028,1206 4.007,1208 5.333,1209 2.398,1210 6.868,1211 4.727,1212 8.498,1213 6.843,1214 10.177,1216 1.652,1220 5.855,1224 5.329,1231 26.961,1232 60.167,1233 139.393,1234 177.367,1235 201.367,1236 206.122,1237 206.122,1238 26.563,1239 7.427,1240 76.82,1241 76.82,1242 23,1243 12.572,1244 4.524,1245 3.585,1246 33.542,1247 71,1248 80,1249 0.229,1250 165.351,1251 270.61,1252 395.216,1253 16404,1255 16.518,1256 0.688,1257 0.548,1258 16.518,1259 13.154,1260 11.758,1261 0.435,1262 0.281,1263 7.494,1264 11.367,1265 7.305,1266 6.089,1267 11.758,1268 7.595,1269 10.396,1270 0.274,1271 0.144,1272 10.396,1273 5.47,1274 9.162,1275 0.173,1276 0.076,1277 9.162,1278 4.033,1279 7.929,1280 0.109,1281 0.039,1282 7.929,1283 2.87,1284 6.669,1285 0.07,1286 0.021,1287 6.669,1288 1.961,1289 0.343,1290 73.271,1291 0.233,1292 22.796,1293 0.678,1294 130,1295 352.671,1296 139.567,1297 349.731,1298 494.58,1299 330,1300 156,1301 378.644,1302 165.319,1303 389.093,1304 569.3,1305 366,1306 6.222} {0 CHEMBL559538,1 1.318,2 10.897,3 5.309,4 28.183,5 118.389,6 7.683,7 0.848,8 3.997,9 4.114,10 3.612,11 3.646,12 5.136,13 3.616,14 4.469,15 4.621,16 3.973,17 4.045,18 5.563,19 3.997,20 4.687,21 4.865,22 4.03,23 4.188,24 5.697,25 4.112,26 4.763,27 4.958,28 3.998,29 4.195,30 5.758,31 4.101,32 4.794,33 5.01,34 3.983,35 4.168,36 5.784,37 4.074,38 4.777,39 5.007,40 3.927,41 4.107,42 5.774,43 4.013,44 4.685,45 4.908,46 3.788,47 4.02,48 5.686,49 3.913,50 4.644,51 4.894,52 3.575,53 3.898,54 5.611,55 3.765,56 0.043,57 0.682,58 8.951,59 3.99,60 9.996,61 5.233,62 0.168,63 1.118,64 15.606,65 6.694,66 18.819,67 8.927,68 0.109,69 1.338,70 20.469,71 8.886,72 17.883,73 12.034,74 0.147,75 1.451,76 22.847,77 9.75,78 22.515,79 13.309,80 0.147,81 1.505,82 24.662,83 10.06,84 27.55,85 13.838,86 0.245,87 1.523,88 24.992,89 9.523,90 31.463,91 13.083,92 0.155,93 1.357,94 22.357,95 8.855,96 27.824,97 12.152,98 0.192,99 1.308,100 22.668,101 8.542,102 35.636,103 11.79,104 5,105 47,106 0.217,107 0.498,108 0.634,109 0.765,110 0.836,111 0.849,112 3.409,113 0.867,114 -5.46,115 -5.34,116 -4.99,119 51,123 1,133 13,134 6,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 19,161 1,162 6,163 2,164 2,168 24,172 5,178 22,181 1,182 8,187 2,190 16,192 2,194 8,199 2,202 16,204 2,205 1,206 6,208 1,209 1,211 3,213 14,215 3,217 6,222 4,224 12,226 4,229 6,234 2,237 11,239 2,242 5,247 1,250 9,252 1,255 1366,256 20.068,257 20.068,258 20.068,259 20.068,260 20.068,261 16.804,262 6.325,263 11.84,264 20.317,265 16.318,266 16.318,267 16.318,268 16.318,269 16.318,270 11.518,271 5,272 5.632,273 16.725,274 4.297,275 2.593,276 1.77,277 0.977,278 0.546,279 0.464,280 4.122,284 1,285 708,286 2.236,288 54.97,289 335.592,291 105.242,295 1.639,296 12.587,299 0.75,300 1,301 1,302 0.6,304 1,305 0.76,306 60,307 316,308 4.71,309 3.307,310 6.937,311 4.274,312 3.295,313 4.656,315 11.731,316 3.227,317 4.369,318 2.98,319 6.474,320 3.951,321 2.967,322 4.085,324 10.042,325 2.926,326 4.189,327 2.818,328 6.138,329 3.801,330 2.812,331 3.814,333 9.033,334 2.78,335 3.756,336 2.409,337 5.713,338 3.32,339 2.36,340 3.261,342 7.467,343 2.27,344 3.519,345 2.206,346 5.161,347 3.076,348 2.139,349 2.9,351 6.122,352 1.993,353 3.354,354 1.962,355 4.902,356 2.88,357 1.908,358 2.722,360 5.322,361 1.865,362 3.308,363 1.86,364 4.623,365 2.836,366 1.853,367 2.662,369 4.784,370 1.803,371 2.965,372 1.508,373 4.394,374 2.486,375 1.496,376 2.177,378 4.036,379 1.479,380 2.757,381 1.285,382 3.985,383 2.262,384 1.283,385 1.877,386 3.156,387 1.255,388 2.605,389 1.15,390 3.584,391 2.104,392 1.129,393 1.655,394 2.744,395 1.099,396 2.556,397 1.071,398 3.493,399 2.045,400 1.066,401 1.584,402 2.617,403 1.041,404 2.5,405 1,406 3.462,407 2,408 1,409 1.5,411 2.275,412 1,413 2.5,414 1,415 3.414,416 2,417 1,418 1.5,420 2.136,421 1,422 2.201,423 0.771,424 3.247,425 1.713,426 0.744,427 1.069,429 1.885,430 0.72,431 1.317,432 0.062,433 2.813,434 0.939,435 -0.014,436 -0.018,438 -0.035,439 -0.014,440 14.1,441 0.486,442 0.64,443 0.022,444 45,445 1.552,446 26.5,447 0.914,448 18.5,449 0.638,450 19.098,451 0.659,452 27.9,453 0.569,454 33.442,455 1.153,456 8.99,457 0.31,458 5.214,459 0.18,460 0.064,462 0.348,466 0.993,467 1.064,468 0.76,469 0.858,470 1.13,471 0.802,472 0.837,473 0.821,474 0.827,475 0.821,476 0.591,477 0.823,478 0.904,479 1.041,480 0.936,481 0.998,482 0.776,483 0.975,484 0.877,485 1.102,486 1.026,487 1.104,488 0.867,489 1.083,490 1.015,491 1.134,492 0.97,493 1.043,494 0.903,495 1.01,496 1.236,497 0.969,498 1.014,499 0.934,500 1.187,501 0.95,502 1.211,503 1.141,504 1.105,505 1.096,506 1.159,507 1.092,508 1.427,509 1.01,510 1.199,511 1.043,512 1.639,513 1.089,514 4.5,515 0.151,516 3.556,517 2.264,518 1.254,519 1.101,520 0.91,521 0.396,522 0.198,523 0.184,524 11060,525 25589,526 2.193,527 40.8,529 16,530 1,531 1,532 2,536 1.722,537 2.096,538 3.379,539 0.125,545 64.586,546 1.318,547 3.021,548 3.845,549 4.638,550 5.069,551 5.15,552 2.862,553 4.513,554 4.828,555 3.549,556 1441.09,557 8.424,558 18945.7,563 275.121,564 1.247,565 4.809,566 0.136,567 0.007,568 0.076,569 0.046,570 0.027,571 0.024,572 0.022,573 0.011,574 0.007,575 0.008,576 0.365,577 0.5,578 0.75,579 0.434,580 145.67,581 -0.044,582 -0.032,583 0.05,584 0.032,585 -0.207,586 0.046,587 0.194,588 0.215,589 0.036,590 0.089,591 0.17,592 0.056,593 -0.052,594 -0.062,595 -0.037,596 -0.046,597 -0.014,598 -0.042,599 0.023,600 -0.125,601 -0.099,602 -0.143,603 -0.033,604 -0.134,605 -0.01,606 -0.147,607 -0.003,608 -0.076,609 0.024,610 -0.046,611 0.01,612 0.065,613 -0.018,614 0.019,615 -0.038,616 0.002,617 -0.115,618 -0.139,619 -0.125,620 -0.135,621 -0.004,622 -0.131,623 -0.232,624 0.002,625 -0.175,626 -0.069,627 -0.286,628 -0.107,629 1.391,630 1.965,631 0.931,632 26.811,633 0.989,634 1.108,635 4.233,636 17.918,637 0.717,638 3.526,639 3.871,640 4.205,641 4.522,642 4.796,643 4.89,644 5.075,645 5.198,646 5.278,647 5.389,648 6.375,649 0.68,650 376.49,651 3.526,652 5.081,653 5.958,654 6.855,655 7.751,656 8.656,657 9.56,658 10.469,659 11.377,660 12.289,661 8.2,665 1,669 1,671 2,674 2,675 15,676 2,680 7,681 1,682 28,691 1,699 49,700 28,701 3,702 33,704 53,705 25,706 24,707 5,708 13,710 5,711 6,721 24,722 1,736 20,737 3,738 2,739 4,743 4,747 0.8,755 1,756 1,759 1,760 4,762 1,777 4,781 1,785 29,786 1,808 13.833,809 9.183,810 6.278,811 2.825,812 5.5,813 1.677,814 1.069,815 4.288,816 13.619,817 3.871,818 4.551,819 5.237,820 5.906,821 6.514,822 6.872,823 7.4,824 7.864,825 8.237,826 8.676,827 1,828 49,829 10.643,831 4.548,832 7.534,833 20.647,835 17.262,837 2.034,838 59,842 211.88,843 174.983,844 68.367,849 174.983,850 211.88,851 68.367,852 8.396,854 165.136,855 45.342,856 32.204,857 15.814,858 188.338,860 211.88,861 243.351,865 211.88,869 15.602,870 194.177,871 33.571,873 211.88,874 68.367,875 174.983,878 211.88,879 25.301,880 151.582,882 66.468,883 211.88,884 68.367,885 174.983,887 0.583,888 0.351,889 0.201,890 0.115,891 25,892 10,893 0.057,894 3,895 1,896 1.074,897 4.062,898 272.896,899 0.074,900 27,901 128.881,904 17.51,905 7.102,906 3.149,907 2.306,908 66.468,909 31.096,910 8.886,914 6.584,915 2.116,916 32.897,917 455.23,918 47,926 48.476,927 54.315,928 0.235,929 0.538,930 0.685,931 0.826,932 0.903,933 0.917,934 5.094,935 1.496,936 5.943,937 4.784,938 4.554,939 5.239,941 6.79,942 4.508,943 6.327,944 1.283,945 7.518,946 4.036,947 4.111,948 5.007,950 7.758,951 4.035,952 7.647,953 1.129,954 9.198,955 3.156,956 6.172,957 7.531,959 10.911,960 6.087,961 9.009,962 1.066,963 10.942,964 2.744,965 6.594,966 8.18,968 12.752,969 6.487,970 10.405,971 1,972 12.727,973 2.617,974 8.103,975 10.127,977 15.416,978 7.986,979 11.827,980 1,981 14.542,982 2.275,983 8.927,984 11.211,986 17.604,987 8.789,988 13.271,989 0.744,990 16.377,991 2.136,992 10.215,993 12.906,995 20.111,996 10.065,997 3.295,998 -0.014,999 18.228,1000 1.885,1001 11.225,1002 14.212,1004 22.442,1005 11.055,1006 2.967,1007 11.731,1008 20.091,1009 -0.035,1010 12.429,1011 15.797,1013 24.9,1014 12.243,1015 2.812,1016 10.042,1017 21.963,1018 4.656,1019 13.524,1020 17.212,1022 27.293,1023 13.317,1024 2.36,1025 9.033,1026 23.843,1027 4.085,1028 14.698,1029 18.754,1031 29.739,1032 14.474,1033 2.139,1034 7.467,1035 25.729,1036 3.814,1037 15.832,1038 20.224,1040 32.161,1041 15.587,1042 1.908,1043 6.122,1044 27.621,1045 3.261,1046 16.999,1047 21.75,1049 34.606,1050 16.734,1051 1.853,1052 5.322,1053 29.517,1054 2.9,1055 18.153,1056 23.247,1058 37.043,1059 17.867,1060 10176,1061 15616,1062 22.77,1063 35.114,1064 50.698,1065 50.054,1066 51.294,1067 50.171,1068 50.099,1069 70.924,1071 146.697,1072 48.917,1073 5.436,1074 5.307,1075 6.739,1076 5.345,1077 5.295,1078 7.656,1080 19.372,1081 5.227,1082 9.795,1083 1.536,1084 1.517,1085 1.554,1086 1.52,1087 1.518,1088 2.149,1090 4.445,1091 1.482,1092 4.164,1093 4.196,1094 4.132,1095 4.085,1096 5.234,1097 4.092,1098 4.001,1099 4.027,1100 3.951,1101 3.953,1102 4.928,1103 3.949,1104 3.831,1105 3.87,1106 3.782,1107 3.75,1108 4.831,1109 3.75,1110 3.646,1111 3.694,1112 3.581,1113 3.52,1114 4.649,1115 3.531,1116 3.445,1117 3.513,1118 3.332,1119 3.285,1120 4.475,1121 3.291,1122 3.116,1123 3.197,1124 3.007,1125 2.937,1126 4.287,1127 2.943,1128 3.025,1129 3.091,1130 2.914,1131 2.907,1132 3.955,1133 2.905,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.723,1139 2.715,1140 0.143,1141 0.1,1142 0.21,1143 0.13,1144 0.1,1145 4.71,1146 0.141,1147 3.307,1149 6.937,1150 0.355,1151 4.274,1152 0.098,1153 3.295,1154 4.656,1156 11.731,1157 3.227,1158 2.018,1159 1.997,1160 2.103,1161 2.085,1162 1.227,1163 2.09,1164 1.942,1165 1.919,1166 2.035,1167 2.023,1168 1.164,1169 2.029,1170 1.832,1171 1.8,1172 1.937,1173 1.955,1174 1.021,1175 1.949,1176 1.656,1177 1.614,1178 1.787,1179 1.792,1180 0.874,1181 1.8,1182 1.477,1183 1.409,1184 1.662,1185 1.706,1186 0.682,1187 1.7,1188 1.12,1189 1.06,1190 1.353,1191 1.329,1192 0.419,1193 1.342,1194 1.015,1195 0.963,1196 1.231,1197 1.212,1198 0.225,1199 1.232,1200 0.886,1201 0.821,1202 1.181,1203 1.062,1204 0.218,1205 1.107,1206 4.205,1208 5.541,1209 2.398,1210 7.086,1211 4.844,1212 8.72,1213 7.034,1214 10.402,1216 2.046,1220 5.965,1231 33.3,1232 64.586,1233 148.047,1234 188.386,1235 227.246,1236 248.366,1237 252.366,1238 32.227,1239 8.119,1240 56.73,1241 56.73,1242 29,1243 12.804,1244 4.858,1245 3.907,1246 39.515,1247 108,1248 124,1249 0.175,1250 202.733,1251 334.44,1252 486.429,1253 40747,1255 19.794,1256 0.683,1257 0.554,1258 19.794,1259 16.079,1260 14.204,1261 0.43,1262 0.289,1263 9.462,1264 13.932,1265 9.197,1266 7.666,1267 14.204,1268 9.533,1269 12.808,1270 0.273,1271 0.151,1272 12.808,1273 7.105,1274 11.305,1275 0.171,1276 0.08,1277 11.305,1278 5.262,1279 9.874,1280 0.109,1281 0.042,1282 9.874,1283 3.815,1284 8.444,1285 0.07,1286 0.022,1287 8.444,1288 2.673,1289 0.272,1290 87.032,1291 0.21,1292 27.259,1293 0.493,1294 160,1295 376.248,1296 167.049,1297 385.628,1298 554.57,1299 364,1300 193,1301 432.944,1302 200.494,1303 449.002,1304 658.94,1305 424,1306 5} {0 CHEMBL559591,1 1.549,2 9.24,3 2.587,4 6.691,5 96.936,6 8.235,7 0.786,8 3.817,9 3.94,10 3.466,11 3.416,12 5.063,13 3.415,14 4.257,15 4.392,16 3.836,17 3.811,18 5.534,19 3.788,20 4.479,21 4.647,22 3.877,23 3.924,24 5.651,25 3.882,26 4.527,27 4.708,28 3.836,29 3.905,30 5.707,31 3.85,32 4.549,33 4.769,34 3.776,35 3.856,36 5.641,37 3.795,38 4.453,39 4.662,40 3.75,41 3.801,42 5.578,43 3.746,44 4.429,45 4.637,46 3.606,47 3.728,48 5.584,49 3.654,50 4.398,51 4.652,52 3.363,53 3.53,54 5.587,55 3.419,56 0.064,57 0.626,58 6.627,59 2.985,60 12.315,61 3.535,62 0.168,63 0.955,64 10.873,65 5.245,66 26.791,67 6.539,68 0.147,69 1.133,70 15.387,71 6.688,72 27.142,73 8.361,74 0.189,75 1.191,76 16.574,77 6.872,78 31.992,79 8.65,80 0.223,81 1.198,82 19.118,83 7.119,84 38.27,85 9.405,86 0.205,87 1.13,88 16.351,89 6.267,90 27.04,91 8.297,92 0.165,93 1.073,94 15.863,95 6.099,96 26.852,97 7.945,98 0.343,99 0.975,100 18.152,101 6.377,102 51.804,103 8.742,104 11,105 40,106 0.268,107 0.571,108 0.739,109 0.843,110 0.869,111 0.869,112 3.268,113 0.828,114 -3.42,115 -3.4,116 -3.25,119 47.5,133 8,134 5,136 1,137 1,141 1,142 1,143 1,147 1,152 2,153 2,154 2,159 12,161 1,162 4,163 3,164 3,166 4,168 14,170 1,172 5,176 4,178 11,180 2,182 8,185 1,187 6,190 6,192 4,194 8,199 4,202 7,204 3,206 5,209 1,210 1,211 6,212 1,213 8,215 4,217 2,222 6,224 8,226 4,228 2,229 2,231 2,232 2,234 4,237 7,239 3,242 1,247 1,250 4,252 1,255 918,256 16.999,257 16.999,258 16.999,259 16.999,260 16.999,261 14.324,262 5.987,263 9.907,264 17.185,265 13.814,266 13.814,267 13.814,268 13.814,269 13.814,270 9.817,271 4.851,272 4.674,273 14.119,274 3.773,275 2.021,276 1.05,277 0.45,278 0.3,279 0.3,280 3.966,283 1,284 1,285 505,286 2.646,288 45.868,289 207.124,291 88.085,295 1.389,296 21.53,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53.5,307 231,308 4.649,309 3.5,310 6.874,311 4.229,312 3.245,313 4.56,314 0.98,315 11.5,316 3.195,317 4.322,318 3.245,319 6.349,320 3.89,321 2.898,322 4.05,324 9.641,325 2.876,326 4.089,327 2.875,328 5.919,329 3.701,330 2.702,331 3.652,333 8.173,334 2.695,335 3.692,336 2.448,337 5.556,338 3.271,339 2.316,340 3.085,342 7.101,343 2.218,344 3.477,345 2.166,346 5.03,347 3.038,348 2.084,349 2.849,351 5.927,352 1.972,353 3.068,354 1.941,355 4.634,356 2.583,357 1.586,358 2.321,360 4.481,361 1.576,362 3.044,363 1.546,364 4.228,365 2.518,366 1.545,367 2.282,369 3.747,370 1.5,371 2.79,372 1.448,373 3.898,374 2.292,375 1.305,376 1.898,378 3.164,379 1.283,380 2.606,381 1.227,382 3.706,383 2.088,384 1.09,385 1.589,386 2.697,387 1.081,388 2.5,389 1,390 3.56,391 2,392 1,393 1.5,394 2.494,395 1,396 2.5,397 1,398 3.414,399 1.953,400 1,401 1.5,402 2.275,403 0.95,404 1.983,405 0.505,406 3.102,407 1.461,408 0.501,409 0.737,411 1.202,412 0.48,413 1.296,414 0.204,415 2.734,416 0.903,417 -0.048,418 -0.062,420 -0.117,421 -0.046,422 0.827,423 -0.004,424 2.398,425 0.381,426 -0.596,427 -0.76,429 -1.408,430 -0.571,431 0.77,432 -0.507,433 2.204,434 0.318,435 -0.64,436 -0.871,438 -1.685,439 -0.619,440 11.833,441 0.473,442 0.627,443 0.025,444 38.25,445 1.53,446 22,447 0.88,448 16.25,449 0.65,450 15.308,451 0.612,452 24.767,453 0.619,454 28.092,455 1.124,456 7.743,457 0.31,458 4.388,459 0.176,460 0.096,462 0.38,466 0.931,467 0.991,468 0.745,469 0.758,470 0.865,471 0.713,472 0.495,473 0.894,474 0.737,475 0.917,476 0.44,477 0.877,478 0.95,479 1.087,480 0.929,481 1.023,482 0.852,483 0.986,484 0.995,485 1.147,486 1.068,487 1.135,488 0.952,489 1.12,490 0.975,491 1.048,492 0.949,493 0.936,494 0.831,495 0.934,496 0.771,497 1.033,498 0.945,499 0.979,500 0.558,501 0.977,502 0.976,503 1.197,504 1.169,505 1.197,506 0.804,507 1.199,508 0.84,509 0.883,510 1.1,511 1.045,512 0.98,513 1.101,514 4.5,515 0.098,516 3.333,517 1.757,518 1.218,519 0.92,520 0.672,521 0.321,522 0.231,523 0.194,524 6767,525 19732,526 2.13,527 37.5,529 8,530 1,531 1,532 5,536 1.685,537 2,538 3.172,539 2.568,540 1,541 1,543 1,545 61.954,546 1.549,547 3.301,548 4.272,549 4.872,550 5.022,551 5.022,552 2.68,553 4.134,554 4.613,555 3.328,556 998.353,557 8.006,558 11680.4,559 1,560 1,562 1,563 212.877,564 1.388,565 4.579,566 0.161,567 0.009,568 0.083,569 0.043,570 0.032,571 0.026,572 0.019,573 0.011,574 0.011,575 0.014,576 0.409,577 0.33,578 1,579 0.739,580 118.463,581 -0.179,582 0.115,583 -0.005,584 0.151,585 -0.206,586 0.118,587 0.229,588 0.154,589 0.042,590 0.03,591 0.182,592 0.007,593 -0.112,594 -0.099,595 -0.061,596 -0.049,597 -0.044,598 -0.049,599 -0.104,600 -0.151,601 -0.17,602 -0.176,603 -0.101,604 -0.185,605 -0.108,606 -0.072,607 0.031,608 0.042,609 -0.075,610 0.055,611 -0.002,612 -0.013,613 -0.011,614 -0.028,615 0.011,616 -0.022,617 -0.145,618 -0.197,619 -0.226,620 -0.243,621 -0.067,622 -0.242,623 0.193,624 0.05,625 -0.018,626 -0.048,627 0.082,628 -0.064,629 2.128,630 4.27,631 0.84,632 19.344,633 1.006,634 1.119,635 2.186,636 4.777,637 0.707,638 3.367,639 3.714,640 4.025,641 4.317,642 4.575,643 4.7,644 4.852,645 4.949,646 4.99,647 5.069,648 5.543,649 0.686,650 329.39,651 3.367,652 4.92,653 5.79,654 6.683,655 7.574,656 8.475,657 9.374,658 10.278,659 11.181,660 12.088,661 12.5,665 1,668 1,669 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,687 1,691 1,699 40,700 23,701 2,702 28,704 43,705 19,706 18,707 4,708 8,709 1,710 4,711 5,721 19,724 1,728 1,731 1,732 1,733 1,736 15,737 5,738 5,739 6,743 5,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,785 25,786 2,801 2.5,804 1,808 12.5,809 7.067,810 5.417,811 2.168,812 4.543,813 1.604,814 1.066,815 3.711,816 12.059,817 3.714,818 4.385,819 5.054,820 5.706,821 6.297,822 6.69,823 7.19,824 7.629,825 7.96,826 8.39,827 1,828 41,829 9.153,831 3.957,832 7.84,833 17.208,835 14.236,837 2.34,838 58.5,841 1,842 117.711,843 120.725,844 116.151,846 25.145,849 120.725,850 142.856,851 116.151,853 32.897,854 117.755,855 75.192,856 43.905,857 15.814,858 94.169,860 117.711,861 236.876,862 25.145,865 117.711,866 25.145,869 63.386,870 139.919,871 33.571,873 117.711,874 141.296,875 120.725,878 117.711,879 26.82,880 93.905,881 16.786,882 124.51,883 117.711,884 141.296,885 120.725,887 0.587,888 0.348,889 0.19,890 0.107,891 21,892 9,893 0.07,894 3,895 1,896 1.095,897 3.647,898 218.437,899 0.095,900 21,901 112.096,904 15.364,905 6.039,906 2.75,907 2.07,908 124.51,909 18.614,910 8.583,911 3.246,914 4.044,916 82.58,917 379.732,918 40,922 11.27,925 -0.461,926 40.254,927 44.777,928 0.291,929 0.62,930 0.803,931 0.915,932 0.944,933 0.944,934 4.938,935 1.305,936 5.784,937 3.747,938 4.394,939 5.072,940 1.072,941 6.627,942 4.355,943 6.176,944 1.09,945 7.362,946 3.164,947 4.007,948 4.902,950 7.603,951 3.964,952 7.5,953 1,954 9.043,955 2.697,956 6.014,957 7.362,958 1.045,959 10.728,960 5.945,961 8.864,962 1,963 10.785,964 2.494,965 6.463,966 8.046,968 12.558,969 6.395,970 10.26,971 0.501,972 12.567,973 2.275,974 7.939,975 9.953,976 1.019,977 15.206,978 7.85,979 11.68,980 -0.048,981 14.376,982 1.202,983 8.766,984 11.047,986 17.378,987 8.674,988 13.119,989 -0.596,990 16.205,991 -0.117,992 10.034,993 12.718,994 0.993,995 19.873,996 9.925,997 3.245,998 -0.64,999 18.05,1000 -1.408,1001 11.036,1002 14.016,1004 22.188,1005 10.918,1006 2.898,1007 11.5,1008 19.906,1009 -1.685,1010 12.224,1011 15.583,1012 0.967,1013 24.635,1014 12.09,1015 2.702,1016 9.641,1017 21.771,1018 4.56,1019 13.306,1020 16.984,1022 27.014,1023 13.16,1024 2.316,1025 8.173,1026 23.644,1027 4.05,1028 14.466,1029 18.508,1030 0.942,1031 29.447,1032 14.305,1033 2.084,1034 7.101,1035 25.523,1036 3.652,1037 15.587,1038 19.959,1040 31.854,1041 15.412,1042 1.586,1043 5.927,1044 27.408,1045 3.085,1046 16.741,1047 21.467,1048 0.917,1049 34.286,1050 16.55,1051 1.545,1052 4.481,1053 29.297,1054 2.849,1055 17.882,1056 22.944,1058 36.708,1059 17.674,1060 6461,1061 11129,1062 18.898,1063 28.29,1064 43.158,1065 43.243,1066 43.971,1067 42.561,1068 42.541,1069 60.047,1070 1.96,1071 124.805,1072 41.652,1073 5.372,1074 5.5,1075 6.555,1076 5.301,1077 5.245,1078 7.56,1079 1.96,1080 19.047,1081 5.195,1082 11.173,1083 1.541,1084 1.544,1085 1.57,1086 1.52,1087 1.519,1088 2.145,1089 0.07,1090 4.457,1091 1.488,1092 4.148,1093 4.18,1094 4.114,1095 4.069,1096 7.437,1097 4.076,1098 3.955,1099 3.982,1100 3.909,1101 3.889,1102 5.235,1103 3.89,1104 3.725,1105 3.774,1106 3.687,1107 3.575,1108 4.965,1109 3.596,1110 3.379,1111 3.442,1112 3.278,1113 3.236,1114 4.9,1115 3.241,1116 3.327,1117 3.383,1118 3.26,1119 3.064,1120 4.7,1121 3.107,1122 3.006,1123 3.102,1124 2.892,1125 2.824,1126 4.483,1127 2.826,1128 2.919,1129 2.989,1130 2.794,1131 2.735,1132 4.291,1133 2.719,1134 2.854,1135 2.925,1136 2.687,1137 2.694,1138 3.928,1139 2.715,1140 0.166,1141 0.125,1142 0.245,1143 0.151,1144 0.116,1145 4.649,1146 0.163,1147 3.5,1148 0.035,1149 6.874,1150 0.411,1151 4.229,1152 0.114,1153 3.245,1154 4.56,1155 0.98,1156 11.5,1157 3.195,1158 1.988,1159 1.967,1160 2.061,1161 2.069,1162 1.196,1163 2.066,1164 1.911,1165 1.887,1166 2.01,1167 1.999,1168 1.114,1169 2.004,1170 1.698,1171 1.659,1172 1.78,1173 1.873,1174 0.83,1175 1.85,1176 1.398,1177 1.338,1178 1.548,1179 1.632,1180 0.542,1181 1.615,1182 1.193,1183 1.145,1184 1.375,1185 1.519,1186 0.286,1187 1.483,1188 1.019,1189 0.964,1190 1.225,1191 1.262,1192 0.218,1193 1.263,1194 0.886,1195 0.821,1196 1.181,1197 1.136,1198 0.155,1199 1.15,1200 0.884,1201 0.794,1202 1.156,1203 1.062,1204 0.117,1205 1.107,1206 4.043,1208 5.38,1209 2.398,1210 6.919,1211 4.727,1212 8.547,1213 6.843,1214 10.223,1220 11.133,1231 27.456,1232 61.954,1233 132.048,1234 170.877,1235 194.877,1236 200.877,1237 200.877,1238 34.138,1239 7.516,1240 110.68,1241 110.68,1242 23,1243 12.606,1244 4.585,1245 3.7,1246 35.72,1247 80,1248 89,1249 0.216,1250 169.218,1251 278.97,1252 404.651,1253 18367,1255 17.389,1256 0.696,1257 0.529,1258 17.389,1259 13.231,1260 12.131,1261 0.433,1262 0.276,1263 7.643,1264 11.787,1265 7.494,1266 6.216,1267 12.131,1268 7.725,1269 11.114,1270 0.278,1271 0.142,1272 11.114,1273 5.68,1274 9.521,1275 0.173,1276 0.075,1277 9.521,1278 4.132,1279 8.076,1280 0.109,1281 0.039,1282 8.076,1283 2.894,1284 6.663,1285 0.069,1286 0.02,1287 6.663,1288 1.961,1289 0.329,1290 75.257,1291 0.23,1292 23.811,1293 0.626,1294 136,1295 377.983,1296 145.93,1297 379.58,1298 528.32,1299 354,1300 163,1301 400.58,1302 172.155,1303 411.035,1304 601.78,1305 388,1306 6.237} {0 CHEMBL559592,1 1.472,2 7.783,3 2.012,4 4.047,5 89.949,6 8.172,7 0.846,8 3.747,9 3.873,10 3.408,11 3.316,12 4.955,13 3.32,14 4.208,15 4.379,16 3.758,17 3.704,18 5.373,19 3.692,20 4.354,21 4.519,22 3.796,23 3.838,24 5.441,25 3.795,26 4.46,27 4.66,28 3.772,29 3.84,30 5.511,31 3.781,32 4.469,33 4.681,34 3.786,35 3.803,36 5.572,37 3.752,38 4.446,39 4.659,40 3.74,41 3.756,42 5.557,43 3.706,44 4.433,45 4.673,46 3.535,47 3.642,48 5.545,49 3.557,50 4.302,51 4.585,52 3.037,53 3.345,54 5.313,55 3.202,56 0.03,57 0.621,58 6.16,59 2.702,60 8.328,61 3.366,62 0.209,63 0.962,64 11.44,65 4.384,66 19.264,67 5.594,68 0.077,69 1.071,70 12.912,71 5.672,72 12.327,73 7.366,74 0.141,75 1.153,76 15.962,77 6.377,78 17.852,79 8.54,80 0.229,81 1.173,82 16.687,83 6.211,84 25.08,85 8.391,86 0.179,87 1.142,88 16.262,89 5.934,90 21.782,91 8.03,92 0.273,93 1.092,94 17.172,95 5.842,96 31.251,97 7.994,98 0.219,99 0.883,100 16.939,101 5.235,102 34.599,103 7.426,104 5,105 37,106 0.259,107 0.629,108 0.784,109 0.835,110 0.858,111 0.858,112 3.19,113 0.826,114 -3.16,115 -3.15,116 -3.03,119 45.9,123 1,133 4,134 4,136 3,137 1,139 1,141 1,142 1,143 1,152 1,153 1,154 1,159 6,161 2,162 8,163 2,164 2,168 6,172 7,178 6,181 1,182 4,187 2,190 3,192 2,193 4,194 6,199 2,202 3,204 2,205 1,206 4,208 1,209 1,211 1,213 3,215 1,216 2,217 4,219 2,220 2,222 2,224 1,226 2,229 5,234 1,239 1,242 2,255 710,256 15.845,257 15.845,258 15.845,259 15.845,260 15.845,261 13.241,262 6.325,263 9.402,264 16.227,265 12.864,266 12.864,267 12.864,268 12.864,269 12.864,270 9.046,271 5,272 4.48,273 13.464,274 3.738,275 1.643,276 0.764,277 0.473,278 0.345,279 0.345,280 3.89,283 1,284 1,285 395,286 2,288 40.311,289 178.324,291 77.68,295 1.047,296 13.905,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 49,307 179,308 4.709,309 3.306,310 6.937,311 4.272,312 3.294,313 4.656,315 11.73,316 3.224,317 4.344,318 2.956,319 6.471,320 3.913,321 2.94,322 4.054,324 10.032,325 2.865,326 3.808,327 2.446,328 5.72,329 3.346,330 2.4,331 3.346,333 7.493,334 2.276,335 3.519,336 2.213,337 5.161,338 3.076,339 2.141,340 2.898,342 6.122,343 1.993,344 3.332,345 1.959,346 4.901,347 2.853,348 1.897,349 2.688,351 5.313,352 1.808,353 3.19,354 1.738,355 4.57,356 2.677,357 1.73,358 2.496,360 4.459,361 1.635,362 2.819,363 1.35,364 4.049,365 2.316,366 1.346,367 1.966,369 3.33,370 1.302,371 2.626,372 1.168,373 3.584,374 2.117,375 1.148,376 1.686,378 2.749,379 1.109,380 2.583,381 1.111,382 3.5,383 2.044,384 1.099,385 1.622,386 2.627,387 1.035,388 2.5,389 1,390 3.462,391 1.917,392 1,393 1.5,394 2.136,395 0.916,396 2.199,397 0.769,398 3.247,399 1.711,400 0.742,401 1.067,402 1.881,403 0.718,404 1.25,405 0.009,406 2.735,407 0.843,408 -0.085,409 -0.109,411 -0.205,412 -0.079,413 0.8,414 -0.417,415 2.423,416 0.392,417 -0.57,418 -0.712,420 -1.346,421 -0.542,422 0.758,423 -0.576,424 2.333,425 0.317,426 -0.627,427 -0.826,429 -1.679,430 -0.592,431 0.637,432 -0.766,433 2.169,434 0.139,435 -0.793,436 -1.093,438 -1.873,439 -0.733,440 10.9,441 0.474,442 0.521,443 0.023,444 36.5,445 1.587,446 20.5,447 0.891,448 16,449 0.696,450 13.542,451 0.589,452 22.7,453 0.614,454 25.068,455 1.09,456 7.275,457 0.316,458 3.962,459 0.172,460 0.083,462 0.358,466 0.995,467 1.322,468 0.705,469 0.965,470 1.053,471 0.824,472 0.955,473 0.718,474 0.779,475 0.661,476 0.654,477 0.686,478 0.855,479 1.169,480 0.916,481 1.102,482 0.758,483 1.035,484 0.879,485 1.12,486 0.967,487 1.102,488 0.834,489 1.059,490 0.865,491 1.003,492 0.931,493 1.005,494 0.813,495 0.984,496 1,497 1.184,498 0.978,499 1.098,500 1.03,501 1.047,502 1.084,503 1.002,504 1.188,505 1.117,506 1.16,507 1.159,508 1.377,509 1.054,510 1.34,511 1.143,512 1.635,513 1.218,514 3.5,516 2.667,517 2.014,518 1.112,519 0.851,520 0.67,521 0.278,522 0.105,523 0.038,524 5189,525 14073,526 2.168,527 37.8,529 7,530 1,531 4,532 2,536 1.666,537 2.06,538 2.959,539 0.321,540 1,541 1,543 1,545 54.45,546 1.472,547 3.566,548 4.446,549 4.736,550 4.865,551 4.865,552 2.366,553 4.35,554 4.497,555 3.055,556 772.983,557 7.79,558 8498.99,559 1,560 1,562 1,563 192.75,564 1.302,565 4.469,566 0.135,568 0.072,569 0.053,570 0.031,571 0.024,572 0.02,573 0.011,574 0.007,575 0.008,576 0.36,577 0.5,578 1,579 0.503,580 104.283,581 -0.109,582 -0.218,583 0.049,584 -0.049,585 -0.183,586 0.01,587 0.071,588 0.376,589 0.063,590 0.257,591 0.141,592 0.178,593 -0.093,594 -0.156,595 -0.085,596 -0.126,597 -0.063,598 -0.109,599 -0.029,600 -0.14,601 -0.056,602 -0.122,603 -0.032,604 -0.099,605 0.127,606 -0.004,607 0.013,608 -0.049,609 0.105,610 -0.038,611 0.008,612 -0.188,613 -0.031,614 -0.148,615 0.003,616 -0.106,617 0.019,618 -0.02,619 -0.184,620 -0.171,621 0.024,622 -0.202,623 -0.262,624 -0.144,625 -0.235,626 -0.166,627 -0.321,628 -0.19,629 1.423,630 1.834,631 0.913,632 14.994,633 1.004,634 1.126,635 1.926,636 3.71,637 0.705,638 3.296,639 3.638,640 3.97,641 4.304,642 4.575,643 4.654,644 4.804,645 4.89,646 4.868,647 4.86,648 4.825,649 0.682,650 302.37,651 3.296,652 4.844,653 5.72,654 6.621,655 7.521,656 8.432,657 9.341,658 10.256,659 11.17,660 12.087,661 16.2,665 1,669 1,671 4,674 2,675 9,676 4,680 5,681 1,682 22,691 1,699 37,700 22,701 1,702 26,704 40,705 17,706 16,707 2,708 4,710 4,711 5,721 16,722 1,732 1,733 1,736 14,737 5,738 2,739 6,743 6,747 0.75,755 2,756 1,759 1,760 3,762 1,777 3,781 1,785 23,786 1,808 11.167,809 7.083,810 5,811 2.029,812 4.366,813 1.597,814 1.053,815 3.196,816 11.684,817 3.638,818 4.321,819 5.01,820 5.691,821 6.293,822 6.65,823 7.152,824 7.599,825 7.891,826 8.248,827 1,828 38,829 8.401,831 3.567,832 7.659,833 16.01,835 13.104,837 2.159,838 49.667,842 141.253,843 110.039,844 101.938,849 110.039,850 141.253,851 101.938,852 8.396,854 79.85,855 114.227,856 52.546,857 15.814,858 82.398,860 141.253,861 211.978,865 141.253,869 42.316,870 102.52,871 67.142,873 141.253,874 101.938,875 110.039,878 141.253,879 18.93,880 93.009,882 100.039,883 141.253,884 101.938,885 110.039,887 0.581,888 0.349,889 0.206,890 0.121,891 20,892 8,893 0.05,894 2,895 1,896 1.095,897 3.461,898 198.731,899 0.095,900 21,901 93.287,904 13.709,905 5.362,906 2.306,907 2.251,908 100.039,909 16.959,910 16.779,914 3.75,915 2.078,916 32.897,917 353.231,918 37,926 37.145,927 41.651,928 0.282,929 0.685,930 0.853,931 0.909,932 0.934,933 0.934,934 4.856,935 1.148,936 5.707,937 3.33,938 4.317,939 5.007,941 6.564,942 4.237,943 6.092,944 1.099,945 7.287,946 2.749,947 3.892,948 4.808,950 7.554,951 3.797,952 7.415,953 1,954 8.974,955 2.627,956 5.938,957 7.315,959 10.726,960 5.802,961 8.782,962 0.742,963 10.726,964 2.136,965 6.382,966 8.005,968 12.597,969 6.243,970 10.185,971 -0.085,972 12.521,973 1.881,974 7.886,975 9.941,977 15.281,978 7.713,979 11.615,980 -0.57,981 14.346,982 -0.205,983 8.735,984 11.066,986 17.494,987 8.557,988 13.066,989 -0.627,990 16.193,991 -1.346,992 10.026,993 12.757,995 20.019,996 9.82,997 3.294,998 -0.793,999 18.055,1000 -1.679,1001 11.058,1002 14.094,1004 22.368,1005 10.843,1006 2.94,1007 11.73,1008 19.929,1009 -1.873,1010 12.269,1011 15.682,1013 24.84,1014 12.03,1015 2.4,1016 10.032,1017 21.813,1018 4.656,1019 13.382,1020 17.12,1022 27.245,1023 13.128,1024 2.141,1025 7.493,1026 23.704,1027 4.054,1028 14.566,1029 18.668,1031 29.7,1032 14.29,1033 1.897,1034 6.122,1035 25.601,1036 3.346,1037 15.714,1038 20.153,1040 32.13,1041 15.42,1042 1.73,1043 5.313,1044 27.503,1045 2.898,1046 16.891,1047 21.685,1049 34.581,1050 16.576,1051 1.346,1052 4.459,1053 29.409,1054 2.688,1055 18.055,1056 23.193,1058 37.024,1059 17.721,1060 4918,1061 8220,1062 17.8,1063 26.08,1064 39.953,1065 39.356,1066 40.592,1067 39.499,1068 39.473,1069 55.955,1071 115.746,1072 37.764,1073 5.423,1074 5.306,1075 6.739,1076 5.344,1077 5.294,1078 7.656,1080 19.371,1081 5.224,1082 8.199,1083 1.537,1084 1.514,1085 1.561,1086 1.519,1087 1.518,1088 2.152,1090 4.452,1091 1.452,1092 4.158,1093 4.191,1094 4.127,1095 4.074,1096 5.238,1097 4.083,1098 3.903,1099 3.948,1100 3.867,1101 3.78,1102 5.007,1103 3.796,1104 3.65,1105 3.718,1106 3.607,1107 3.449,1108 4.918,1109 3.478,1110 3.445,1111 3.513,1112 3.332,1113 3.28,1114 4.545,1115 3.288,1116 3.11,1117 3.193,1118 2.991,1119 2.936,1120 4.287,1121 2.935,1122 2.988,1123 3.073,1124 2.869,1125 2.773,1126 3.962,1127 2.795,1128 2.796,1129 2.881,1130 2.577,1131 2.638,1132 3.955,1133 2.61,1134 2.679,1135 2.776,1136 2.56,1137 2.423,1138 3.718,1139 2.442,1140 0.181,1141 0.127,1142 0.267,1143 0.164,1144 0.127,1145 4.709,1146 0.179,1147 3.306,1149 6.937,1150 0.451,1151 4.272,1152 0.124,1153 3.294,1154 4.656,1156 11.73,1157 3.224,1158 1.963,1159 1.941,1160 2.042,1161 2.057,1162 1.182,1163 2.049,1164 1.861,1165 1.825,1166 1.94,1167 2.003,1168 1.022,1169 1.992,1170 1.616,1171 1.56,1172 1.755,1173 1.828,1174 0.816,1175 1.805,1176 1.464,1177 1.392,1178 1.63,1179 1.708,1180 0.575,1181 1.698,1182 1.12,1183 1.06,1184 1.353,1185 1.327,1186 0.378,1187 1.34,1188 0.935,1189 0.851,1190 1.201,1191 1.205,1192 0.188,1193 1.22,1194 0.808,1195 0.738,1196 1.085,1197 0.995,1198 0.089,1199 1.03,1200 0.686,1201 0.599,1202 1.009,1203 0.912,1205 0.954,1206 3.97,1208 5.303,1209 2.398,1210 6.847,1211 4.844,1212 8.485,1213 7.034,1214 10.173,1216 2.016,1220 5.834,1231 25.236,1232 54.45,1233 131.956,1234 164.485,1235 175.24,1236 179.995,1237 179.995,1238 24.182,1239 7.318,1240 82.51,1241 82.51,1242 23,1243 12.598,1244 4.524,1245 3.585,1246 31.505,1247 64,1248 67,1249 0.239,1250 155.758,1251 249.22,1252 371.811,1253 13982,1255 15.811,1256 0.687,1257 0.544,1258 15.811,1259 12.51,1260 11.237,1261 0.432,1262 0.275,1263 7.055,1264 10.821,1265 6.87,1266 5.731,1267 11.237,1268 7.162,1269 10.133,1270 0.274,1271 0.143,1272 10.133,1273 5.288,1274 8.822,1275 0.17,1276 0.074,1277 8.822,1278 3.831,1279 7.786,1280 0.107,1281 0.038,1282 7.786,1283 2.781,1284 6.678,1285 0.07,1286 0.02,1287 6.678,1288 1.914,1289 0.356,1290 70.234,1291 0.237,1292 21.847,1293 0.723,1294 126,1295 347.538,1296 135.88,1297 348.858,1298 492.69,1299 328,1300 152,1301 379.169,1302 162.491,1303 390.804,1304 570.48,1305 366,1306 5.495} {0 CHEMBL559734,1 1.425,2 7.826,3 2.838,4 8.054,5 93.056,6 7.931,7 0.846,8 3.765,9 3.896,10 3.39,11 3.367,12 4.967,13 3.357,14 4.203,15 4.348,16 3.753,17 3.763,18 5.376,19 3.729,20 4.421,21 4.606,22 3.775,23 3.868,24 5.497,25 3.809,26 4.464,27 4.67,28 3.741,29 3.844,30 5.517,31 3.774,32 4.457,33 4.671,34 3.739,35 3.808,36 5.521,37 3.749,38 4.435,39 4.641,40 3.739,41 3.774,42 5.609,43 3.718,44 4.447,45 4.688,46 3.476,47 3.684,48 5.513,49 3.585,50 4.297,51 4.568,52 3.115,53 3.436,54 5.327,55 3.282,56 0.049,57 0.604,58 6.867,59 2.833,60 10.626,61 3.584,62 0.108,63 0.924,64 11.088,65 5.015,66 15.138,67 6.548,68 0.09,69 1.099,70 15.3,71 6.263,72 17.691,73 8.372,74 0.12,75 1.132,76 16.834,77 6.695,78 20.116,79 9.119,80 0.119,81 1.128,82 17.132,83 6.374,84 20.917,85 8.724,86 0.207,87 1.142,88 16.28,89 5.975,90 28.701,91 8.085,92 0.19,93 1.096,94 17.912,95 6.03,96 30.253,97 8.26,98 0.17,99 0.894,100 16.535,101 6.064,102 31.757,103 8.614,104 5,105 37,106 0.25,107 0.562,108 0.751,109 0.88,110 0.902,111 0.902,112 3.19,113 0.839,114 -3.62,115 -3.59,116 -3.42,119 47.4,133 8,134 4,135 1,136 1,137 1,141 1,142 1,143 1,152 2,153 2,154 2,159 10,161 1,162 3,163 2,164 2,166 5,168 12,170 2,172 3,176 4,178 9,180 2,182 6,185 1,187 6,190 6,192 4,194 5,199 3,202 6,204 2,206 4,208 2,209 3,210 1,211 6,212 1,213 7,215 4,217 2,222 5,224 7,226 4,229 1,233 2,234 4,236 3,237 5,239 3,240 1,247 2,250 3,252 2,255 719,256 15.792,257 15.792,258 15.792,259 15.792,260 15.792,261 13.209,262 6.325,263 9.308,264 16.018,265 12.863,266 12.863,267 12.863,268 12.863,269 12.863,270 9.059,271 5,272 4.435,273 13.24,274 3.823,275 2.042,276 0.967,277 0.23,278 0.105,279 0.105,280 3.89,283 1,284 1,285 397,286 2,288 40.128,289 180.662,291 77.379,295 1.081,296 14.47,297 1,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 48.5,307 180,308 4.65,309 3.249,310 6.874,311 4.23,312 3.246,313 4.56,315 11.505,316 3.195,317 4.318,318 2.898,319 6.353,320 3.876,321 2.89,322 4.05,324 9.664,325 2.852,326 3.918,327 2.558,328 5.618,329 3.459,330 2.496,331 3.508,333 7.398,334 2.408,335 3.523,336 2.256,337 5.071,338 3.085,339 2.153,340 2.894,342 5.937,343 2.005,344 3.4,345 2.047,346 4.975,347 2.996,348 2.016,349 2.733,351 5.837,352 1.966,353 3.046,354 1.547,355 4.534,356 2.52,357 1.546,358 2.319,360 4.227,361 1.503,362 2.916,363 1.487,364 4.162,365 2.439,366 1.455,367 2.101,369 3.613,370 1.43,371 2.743,372 1.28,373 3.852,374 2.249,375 1.271,376 1.856,378 3.073,379 1.242,380 2.578,381 1.098,382 3.56,383 2.075,384 1.09,385 1.616,386 2.52,387 1.073,388 2.5,389 1,390 3.472,391 1.953,392 1,393 1.5,394 2.49,395 0.95,396 1.982,397 0.499,398 3.102,399 1.459,400 0.499,401 0.735,402 1.199,403 0.478,404 1.248,406 2.744,407 0.849,408 -0.093,409 -0.12,411 -0.229,412 -0.088,413 0.917,414 -0.251,415 2.4,416 0.547,417 -0.414,418 -0.518,420 -0.926,421 -0.396,422 0.772,423 -0.579,424 2.215,425 0.32,426 -0.628,427 -0.822,429 -1.656,430 -0.593,431 0.657,432 -0.788,433 2,434 0.163,435 -0.821,436 -1.123,438 -2.061,439 -0.806,440 11,441 0.478,442 0.538,443 0.023,444 36,445 1.565,446 21,447 0.913,448 15,449 0.652,450 13.512,451 0.587,452 22.6,453 0.595,454 24.887,455 1.082,456 7.201,457 0.313,458 4.019,459 0.175,460 0.073,462 0.364,466 1.204,467 0.991,468 0.783,469 0.747,470 1.329,471 0.717,472 0.607,473 0.944,474 0.775,475 0.936,476 0.519,477 0.889,478 0.978,479 1.096,480 0.958,481 1.031,482 0.882,483 1,484 0.887,485 1.096,486 0.948,487 1.057,488 0.823,489 1.02,490 1.087,491 1.13,492 0.913,493 0.975,494 0.879,495 0.932,496 1.01,497 1.081,498 1.012,499 1.053,500 0.958,501 1.036,502 1.483,503 1.046,504 1.265,505 1.055,506 1.364,507 1.117,508 0.852,509 1.013,510 1.156,511 1.186,512 1.053,513 1.206,514 4,515 0.012,516 2.667,517 1.632,518 1.138,519 0.795,520 0.572,521 0.299,522 0.158,523 0.041,524 5273,525 13539,526 2.168,527 39.5,529 8,530 1,531 1,532 5,536 1.665,537 2.06,538 2.983,539 2.632,540 1,541 1,543 1,545 54.15,546 1.425,547 3.206,548 4.281,549 5.018,550 5.143,551 5.143,552 2.403,553 4.176,554 4.497,555 3.092,556 782.357,557 7.785,558 8617.97,559 1,560 1,561 1,562 1,563 199.421,564 1.302,565 4.469,566 0.154,567 0.006,568 0.072,569 0.044,570 0.033,571 0.023,572 0.017,573 0.012,574 0.01,575 0.007,576 0.377,577 0.33,578 1,579 0.503,580 104.618,581 -0.229,582 0.117,583 0.004,584 0.157,585 -0.345,586 0.12,587 0.218,588 0.103,589 0.037,590 0.008,591 0.175,592 0.001,593 -0.114,594 -0.094,595 -0.073,596 -0.07,597 -0.092,598 -0.067,599 0.009,600 -0.115,601 -0.019,602 -0.086,603 -0.016,604 -0.062,605 -0.083,606 -0.136,607 0.039,608 -0.018,609 -0.004,610 0.018,611 0.141,612 -0.039,613 -0.072,614 -0.133,615 0.119,616 -0.131,617 -0.32,618 -0.042,619 -0.267,620 -0.115,621 -0.235,622 -0.171,623 0.098,624 -0.107,625 -0.101,626 -0.179,627 0.095,628 -0.169,629 1.419,630 1.913,631 0.913,632 14.881,633 0.998,634 1.12,635 2.392,636 5.72,637 0.706,638 3.296,639 3.638,640 3.951,641 4.277,642 4.533,643 4.625,644 4.754,645 4.875,646 4.844,647 4.883,648 4.911,649 0.677,650 301.38,651 3.296,652 4.844,653 5.714,654 6.611,655 7.502,656 8.407,657 9.306,658 10.215,659 11.118,660 12.028,661 13.2,665 2,669 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,691 2,699 38,700 22,701 2,702 26,704 41,705 18,706 18,707 4,708 8,710 4,711 5,721 18,732 1,733 1,736 15,737 4,738 5,739 5,743 5,747 0.75,755 1,756 1,759 1,760 3,762 1,777 3,785 23,786 2,808 11.167,809 6.65,810 4.972,811 2.064,812 4.415,813 1.602,814 1.084,815 3.246,816 11.746,817 3.638,818 4.321,819 4.995,820 5.668,821 6.259,822 6.623,823 7.107,824 7.576,825 7.859,826 8.257,827 1,828 37,829 8.413,831 3.612,832 7.667,833 16.055,835 13.343,837 2.167,838 49.833,842 117.711,843 115.591,844 116.151,849 115.591,850 117.711,851 116.151,854 150.652,855 45.342,856 43.476,857 15.814,858 94.169,860 117.711,861 231.742,865 117.711,869 30.489,870 167.682,871 33.571,873 117.711,874 116.151,875 115.591,878 117.711,879 21.686,880 93.905,881 16.786,882 99.365,883 117.711,884 116.151,885 115.591,887 0.583,888 0.344,889 0.199,890 0.115,891 20,892 8,893 0.049,894 2,895 1,896 1.095,897 3.478,898 197.391,899 0.095,900 21,901 104.042,904 13.794,905 5.413,906 2.431,907 2.147,908 99.365,909 19.451,910 8.629,911 3.27,914 4.594,916 82.58,917 349.453,918 37,926 37.927,927 42.568,928 0.272,929 0.611,930 0.816,931 0.956,932 0.98,933 0.98,934 4.856,935 1.271,936 5.7,937 3.613,938 4.317,939 5.007,941 6.541,942 4.264,943 6.092,944 1.09,945 7.27,946 3.073,947 3.892,948 4.808,950 7.496,951 3.819,952 7.413,953 1,954 8.944,955 2.52,956 5.927,957 7.306,959 10.648,960 5.834,961 8.775,962 0.499,963 10.68,964 2.49,965 6.347,966 7.971,968 12.48,969 6.244,970 10.17,971 -0.093,972 12.46,973 1.199,974 7.845,975 9.902,977 15.148,978 7.724,979 11.59,980 -0.414,981 14.269,982 -0.229,983 8.663,984 10.99,986 17.331,987 8.534,988 13.03,989 -0.628,990 16.1,991 -0.926,992 9.945,993 12.674,995 19.84,996 9.8,997 3.246,998 -0.821,999 17.949,1000 -1.656,1001 10.948,1002 13.975,1004 22.164,1005 10.794,1006 2.89,1007 11.505,1008 19.81,1009 -2.061,1010 12.146,1011 15.55,1013 24.62,1014 11.978,1015 2.496,1016 9.664,1017 21.682,1018 4.56,1019 13.234,1020 16.953,1022 27.004,1023 13.054,1024 2.153,1025 7.398,1026 23.562,1027 4.05,1028 14.403,1029 18.483,1031 29.442,1032 14.209,1033 2.016,1034 5.937,1035 25.448,1036 3.508,1037 15.531,1038 19.937,1040 31.853,1041 15.323,1042 1.546,1043 5.837,1044 27.34,1045 2.894,1046 16.692,1047 21.449,1049 34.288,1050 16.47,1051 1.455,1052 4.227,1053 29.236,1054 2.733,1055 17.838,1056 22.929,1058 36.712,1059 17.602,1060 4991,1061 8100,1062 17.8,1063 26.836,1064 39.838,1065 39.161,1066 40.531,1067 39.36,1068 39.325,1069 55.743,1071 114.926,1072 38.202,1073 5.367,1074 5.249,1075 6.556,1076 5.302,1077 5.246,1078 7.56,1080 19.06,1081 5.195,1082 8.365,1083 1.532,1084 1.506,1085 1.559,1086 1.514,1087 1.512,1088 2.144,1090 4.42,1091 1.469,1092 4.148,1093 4.18,1094 4.113,1095 4.068,1096 5.239,1097 4.075,1098 3.942,1099 3.976,1100 3.894,1101 3.873,1102 5.105,1103 3.873,1104 3.703,1105 3.759,1106 3.654,1107 3.553,1108 4.962,1109 3.571,1110 3.379,1111 3.442,1112 3.278,1113 3.232,1114 4.616,1115 3.238,1116 3.101,1117 3.197,1118 2.992,1119 2.878,1120 4.411,1121 2.899,1122 2.997,1123 3.094,1124 2.857,1125 2.819,1126 4.29,1127 2.817,1128 2.933,1129 2.996,1130 2.809,1131 2.792,1132 3.928,1133 2.787,1134 2.693,1135 2.79,1136 2.523,1137 2.471,1138 3.685,1139 2.47,1140 0.179,1141 0.125,1142 0.264,1143 0.163,1144 0.125,1145 4.65,1146 0.175,1147 3.249,1149 6.874,1150 0.443,1151 4.23,1152 0.123,1153 3.246,1154 4.56,1156 11.505,1157 3.195,1158 1.983,1159 1.961,1160 2.058,1161 2.067,1162 1.191,1163 2.064,1164 1.905,1165 1.879,1166 2.008,1167 1.997,1168 1.102,1169 2.002,1170 1.684,1171 1.64,1172 1.776,1173 1.859,1174 0.817,1175 1.841,1176 1.394,1177 1.331,1178 1.546,1179 1.63,1180 0.534,1181 1.614,1182 1.039,1183 0.97,1184 1.287,1185 1.34,1186 0.284,1187 1.336,1188 1.004,1189 0.937,1190 1.244,1191 1.253,1192 0.189,1193 1.262,1194 0.951,1195 0.878,1196 1.172,1197 1.142,1198 0.121,1199 1.157,1200 0.761,1201 0.692,1202 1.069,1203 0.951,1204 0.107,1205 0.996,1206 3.97,1208 5.303,1209 2.398,1210 6.841,1211 4.727,1212 8.472,1213 6.843,1214 10.152,1220 11.742,1231 25.741,1232 54.15,1233 121.837,1234 162.666,1235 190.666,1236 195.421,1237 195.421,1238 25.8,1239 7.33,1240 93.61,1241 93.61,1242 23,1243 12.545,1244 4.524,1245 3.585,1246 31.538,1247 65,1248 63,1249 0.235,1250 158.557,1251 255.52,1252 378.638,1253 14443,1255 15.811,1256 0.687,1257 0.536,1258 15.811,1259 12.323,1260 11.22,1261 0.432,1262 0.28,1263 7.203,1264 10.949,1265 7.053,1266 5.865,1267 11.22,1268 7.271,1269 10.227,1270 0.276,1271 0.145,1272 10.227,1273 5.364,1274 8.738,1275 0.171,1276 0.075,1277 8.738,1278 3.849,1279 7.706,1280 0.109,1281 0.039,1282 7.706,1283 2.786,1284 6.431,1285 0.07,1286 0.021,1287 6.431,1288 1.888,1289 0.351,1290 69.216,1291 0.237,1292 21.915,1293 0.702,1294 126,1295 314.248,1296 133.715,1297 322.031,1298 458.3,1299 302,1300 151,1301 356.944,1302 158.494,1303 368.465,1304 539.51,1305 348,1306 6.194} {0 CHEMBL559735,1 1.411,2 7.875,3 3.044,4 9.265,5 97.953,6 7.693,7 0.815,8 3.83,9 3.962,10 3.433,11 3.419,12 5.005,13 3.403,14 4.29,15 4.454,16 3.802,17 3.817,18 5.419,19 3.783,20 4.489,21 4.668,22 3.848,23 3.955,24 5.553,25 3.893,26 4.587,27 4.796,28 3.823,29 3.964,30 5.599,31 3.882,32 4.581,33 4.795,34 3.826,35 3.932,36 5.618,37 3.86,38 4.593,39 4.816,40 3.822,41 3.902,42 5.701,43 3.832,44 4.573,45 4.81,46 3.615,47 3.826,48 5.617,49 3.724,50 4.485,51 4.753,52 3.25,53 3.622,54 5.505,55 3.461,56 0.046,57 0.645,58 7.798,59 3.182,60 10.334,61 4.198,62 0.152,63 1.004,64 13.372,65 5.478,66 16.556,67 7.369,68 0.095,69 1.182,70 16.744,71 6.868,72 16.556,73 9.345,74 0.135,75 1.266,76 19.708,77 7.854,78 19.334,79 10.916,80 0.122,81 1.266,82 19.802,83 7.497,84 20.89,85 10.49,86 0.259,87 1.307,88 20.424,89 7.209,90 31.778,91 10.088,92 0.184,93 1.232,94 20.522,95 7.127,96 28.334,97 10.05,98 0.225,99 1.082,100 19.92,101 6.977,102 38.667,103 9.989,104 10,105 39,106 0.244,107 0.595,108 0.752,109 0.87,110 0.89,111 0.89,112 3.23,113 0.851,114 -3.85,115 -3.81,116 -3.62,119 46.3,123 1,133 8,134 4,135 1,136 1,137 1,141 1,142 1,143 1,152 2,153 2,154 2,159 10,161 1,162 6,163 2,164 2,166 2,168 12,170 2,172 5,176 2,178 9,180 2,181 1,182 8,187 4,190 6,192 4,194 6,199 2,202 6,204 2,205 1,206 6,208 3,209 3,211 4,213 7,215 4,217 3,222 4,224 7,226 4,229 2,231 1,232 1,233 1,234 3,236 2,237 5,239 3,240 1,247 2,250 3,252 2,255 800,256 16.292,257 16.292,258 16.292,259 16.292,260 16.292,261 13.664,262 9.487,263 9.524,264 16.561,265 13.347,266 13.347,267 13.347,268 13.347,269 13.347,270 9.457,271 7.5,272 4.537,273 13.792,274 3.947,275 1.92,276 1.012,277 0.33,278 0.214,279 0.214,280 3.927,283 1,284 1,285 414,286 2.121,288 42.376,289 188.436,291 81.643,295 1.073,296 13.851,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 50.5,307 189,308 4.71,309 3.308,310 6.938,311 4.274,312 3.295,313 4.656,315 11.734,316 3.227,317 4.36,318 2.974,319 6.477,320 3.932,321 2.955,322 4.075,324 10.06,325 2.893,326 3.928,327 2.577,328 5.75,329 3.478,330 2.514,331 3.515,333 7.664,334 2.426,335 3.536,336 2.268,337 5.217,338 3.091,339 2.165,340 2.912,342 6.217,343 2.009,344 3.431,345 2.126,346 4.976,347 3.035,348 2.063,349 2.767,351 5.845,352 1.993,353 3.317,354 1.932,355 4.881,356 2.844,357 1.881,358 2.667,360 5.234,361 1.804,362 2.918,363 1.489,364 4.445,365 2.442,366 1.457,367 2.103,369 4.032,370 1.433,371 2.749,372 1.287,373 3.965,374 2.257,375 1.277,376 1.865,378 3.123,379 1.25,380 2.61,381 1.154,382 3.584,383 2.113,384 1.133,385 1.662,386 2.743,387 1.109,388 2.571,389 1.092,390 3.472,391 2.053,392 1.083,393 1.605,394 2.512,395 1.048,396 2.2,397 0.77,398 3.462,399 1.712,400 0.742,401 1.067,402 1.883,403 0.718,404 1.252,405 0.009,406 2.787,407 0.857,408 -0.085,409 -0.108,411 -0.209,412 -0.08,413 0.917,414 -0.251,415 2.457,416 0.547,417 -0.414,418 -0.518,420 -0.926,421 -0.396,422 0.8,423 -0.417,424 2.336,425 0.392,426 -0.57,427 -0.712,429 -1.346,430 -0.542,431 0.758,432 -0.58,433 2.214,434 0.317,435 -0.628,436 -0.828,438 -1.766,439 -0.594,440 11.5,441 0.479,442 0.627,443 0.026,444 36.75,445 1.531,446 21,447 0.875,448 15.75,449 0.656,450 15.166,451 0.632,452 23.9,453 0.583,454 26.471,455 1.103,456 7.339,457 0.306,458 4.292,459 0.179,460 0.113,462 0.383,466 1.144,467 1.115,468 0.791,469 0.85,470 1.31,471 0.791,472 0.789,473 0.85,474 0.759,475 0.8,476 0.491,477 0.781,478 0.97,479 1.116,480 0.968,481 1.051,482 0.883,483 1.017,484 0.841,485 1.095,486 0.956,487 1.076,488 0.78,489 1.038,490 1.005,491 1.188,492 0.938,493 1.055,494 0.837,495 1.001,496 1.067,497 1.007,498 1.003,499 0.982,500 1.002,501 0.984,502 1.338,503 1.125,504 1.198,505 1.107,506 1.183,507 1.13,508 1.121,509 1.019,510 1.291,511 1.197,512 1.389,513 1.252,514 4.5,515 0.012,516 2.889,517 2.201,518 1.303,519 0.962,520 0.731,521 0.368,522 0.21,523 0.057,524 5748,525 14308,526 2.135,527 41.5,529 11,530 1,531 1,532 4,536 1.678,537 2,538 2.991,539 1.736,540 1,541 1,545 57.853,546 1.411,547 3.437,548 4.345,549 5.028,550 5.144,551 5.144,552 2.402,553 4.137,554 4.559,555 3.105,556 857.031,557 7.914,558 9718.06,559 1,560 1,562 1,563 219.66,564 1.406,565 4.518,566 0.167,567 0.006,568 0.074,569 0.055,570 0.034,571 0.025,572 0.02,573 0.013,574 0.012,575 0.007,576 0.413,577 0.33,578 1,579 0.566,580 110.639,581 -0.158,582 0.005,583 0.026,584 0.079,585 -0.315,586 0.076,587 0.165,588 0.226,589 0.104,590 0.152,591 0.212,592 0.126,593 -0.116,594 -0.09,595 -0.09,596 -0.081,597 -0.104,598 -0.082,599 0.02,600 -0.112,601 -0.028,602 -0.092,603 -0.004,604 -0.071,605 -0.047,606 -0.192,607 0.005,608 -0.088,609 0.008,610 -0.045,611 0.106,612 0.031,613 -0.038,614 -0.05,615 0.068,616 -0.059,617 -0.233,618 -0.124,619 -0.219,620 -0.16,621 -0.108,622 -0.183,623 -0.066,624 -0.072,625 -0.268,626 -0.228,627 -0.132,628 -0.264,629 1.411,630 1.94,631 0.875,632 16.056,633 0.995,634 1.122,635 2.624,636 6.886,637 0.697,638 3.332,639 3.689,640 4.007,641 4.344,642 4.615,643 4.71,644 4.852,645 4.963,646 4.949,647 4.963,648 4.983,649 0.665,650 315.41,651 3.332,652 4.89,653 5.765,654 6.671,655 7.569,656 8.482,657 9.39,658 10.307,659 11.218,660 12.137,661 12.2,665 2,669 1,671 2,674 2,675 10,676 2,680 6,681 1,682 22,691 2,699 41,700 22,701 2,702 27,704 44,705 19,706 18,707 4,708 8,710 4,711 5,721 18,722 1,732 1,733 1,736 17,737 4,738 4,739 5,743 5,747 0.75,755 1,756 1,759 1,760 3,762 1,777 3,781 1,785 24,786 2,808 12,809 7.6,810 5.167,811 2.235,812 4.409,813 1.594,814 1.063,815 3.472,816 11.831,817 3.664,818 4.36,819 5.039,820 5.721,821 6.324,822 6.693,823 7.183,824 7.643,825 7.943,826 8.311,827 1,828 40,829 8.787,831 3.75,832 7.639,833 16.837,835 13.954,837 2.139,838 51.333,841 1,842 153.024,843 123.988,844 101.265,849 123.988,850 153.024,851 101.265,852 8.396,854 150.652,855 45.342,856 28.59,857 15.814,858 129.482,860 153.024,861 225.252,865 153.024,869 15.602,870 176.079,871 33.571,873 153.024,874 101.265,875 123.988,878 153.024,879 21.686,880 104.2,882 99.365,883 153.024,884 101.265,885 123.988,887 0.587,888 0.348,889 0.202,890 0.119,891 21,892 9,893 0.045,894 2,895 1,896 1.095,897 3.509,898 211.096,899 0.095,900 21,901 106.039,904 14.729,905 5.658,906 2.546,907 2.27,908 99.365,909 19.762,910 8.703,914 4.675,915 2.089,916 65.794,917 378.276,918 38,926 40.811,927 45.983,928 0.263,929 0.642,930 0.811,931 0.938,932 0.96,933 0.96,934 4.894,935 1.277,936 5.765,937 4.032,938 4.369,939 5.047,941 6.624,942 4.309,943 6.14,944 1.133,945 7.349,946 3.123,947 4.007,948 4.913,950 7.609,951 3.911,952 7.471,953 1.083,954 9.036,955 2.743,956 5.999,957 7.362,959 10.769,960 5.889,961 8.842,962 0.742,963 10.784,964 2.512,965 6.463,966 8.076,968 12.622,969 6.327,970 10.245,971 -0.085,972 12.573,973 1.883,974 7.943,975 9.985,977 15.306,978 7.794,979 11.674,980 -0.414,981 14.391,982 -0.209,983 8.794,984 11.116,986 17.509,987 8.624,988 13.124,989 -0.57,990 16.231,991 -0.926,992 10.073,993 12.794,995 20.034,996 9.888,997 3.295,998 -0.628,999 18.087,1000 -1.346,1001 11.103,1002 14.132,1004 22.379,1005 10.899,1006 2.955,1007 11.734,1008 19.957,1009 -1.766,1010 12.308,1011 15.713,1013 24.85,1014 12.087,1015 2.514,1016 10.06,1017 21.836,1018 4.656,1019 13.418,1020 17.149,1022 27.254,1023 13.177,1024 2.165,1025 7.664,1026 23.724,1027 4.075,1028 14.597,1029 18.692,1031 29.709,1032 14.339,1033 2.063,1034 6.217,1035 25.618,1036 3.515,1037 15.743,1038 20.174,1040 32.139,1041 15.465,1042 1.881,1043 5.845,1044 27.518,1045 2.912,1046 16.918,1047 21.704,1049 34.59,1050 16.62,1051 1.457,1052 5.234,1053 29.422,1054 2.767,1055 18.081,1056 23.21,1058 37.032,1059 17.763,1060 5482,1061 8757,1062 18.205,1063 28.597,1064 41.696,1065 40.975,1066 42.779,1067 41.199,1068 41.131,1069 57.79,1071 122.09,1072 39.823,1073 5.428,1074 5.308,1075 6.616,1076 5.346,1077 5.295,1078 7.656,1080 19.381,1081 5.227,1082 10.464,1083 1.544,1084 1.518,1085 1.584,1086 1.526,1087 1.523,1088 2.14,1090 4.522,1091 1.475,1092 4.161,1093 4.193,1094 4.129,1095 4.079,1096 5.237,1097 4.087,1098 3.945,1099 3.979,1100 3.898,1101 3.875,1102 5.105,1103 3.876,1104 3.703,1105 3.76,1106 3.655,1107 3.553,1108 4.922,1109 3.572,1110 3.445,1111 3.513,1112 3.332,1113 3.286,1114 4.615,1115 3.291,1116 3.128,1117 3.218,1118 3.015,1119 2.936,1120 4.41,1121 2.94,1122 3.056,1123 3.143,1124 2.922,1125 2.869,1126 4.286,1127 2.88,1128 2.973,1129 3.061,1130 2.821,1131 2.794,1132 3.955,1133 2.79,1134 2.796,1135 2.881,1136 2.577,1137 2.639,1138 3.697,1139 2.61,1140 0.174,1141 0.123,1142 0.257,1143 0.158,1144 0.122,1145 4.71,1146 0.172,1147 3.308,1149 6.938,1150 0.435,1151 4.274,1152 0.12,1153 3.295,1154 4.656,1156 11.734,1157 3.227,1158 1.984,1159 1.962,1160 2.059,1161 2.068,1162 1.195,1163 2.065,1164 1.911,1165 1.884,1166 2.013,1167 2.011,1168 1.115,1169 2.013,1170 1.698,1171 1.654,1172 1.808,1173 1.87,1174 0.892,1175 1.856,1176 1.482,1177 1.413,1178 1.671,1179 1.713,1180 0.686,1181 1.708,1182 1.12,1183 1.06,1184 1.353,1185 1.354,1186 0.415,1187 1.355,1188 1.021,1189 0.943,1190 1.284,1191 1.29,1192 0.191,1193 1.306,1194 0.954,1195 0.879,1196 1.227,1197 1.201,1198 0.187,1199 1.222,1200 0.809,1201 0.738,1202 1.087,1203 0.995,1204 0.11,1205 1.031,1206 4.007,1208 5.352,1209 2.398,1210 6.899,1211 4.844,1212 8.538,1213 7.034,1214 10.228,1216 2.024,1220 11.81,1231 27.268,1232 57.853,1233 140.931,1234 178.15,1235 206.15,1236 210.905,1237 210.905,1238 27.573,1239 7.422,1240 82.75,1241 82.75,1242 23,1243 12.648,1244 4.524,1245 3.585,1246 33.498,1247 69,1248 68,1249 0.236,1250 168.149,1251 272.82,1252 402.043,1253 15957,1255 16.681,1256 0.695,1257 0.553,1258 16.681,1259 13.27,1260 11.631,1261 0.431,1262 0.284,1263 7.58,1264 11.323,1265 7.364,1266 6.149,1267 11.631,1268 7.661,1269 10.767,1270 0.276,1271 0.148,1272 10.767,1273 5.787,1274 9.149,1275 0.169,1276 0.077,1277 9.149,1278 4.157,1279 8.093,1280 0.106,1281 0.04,1282 8.093,1283 3.049,1284 6.88,1285 0.069,1286 0.021,1287 6.88,1288 2.116,1289 0.351,1290 71.885,1291 0.234,1292 22.664,1293 0.708,1294 132,1295 325.56,1296 140.076,1297 332.778,1298 473.9,1299 312,1300 159,1301 369.789,1302 167.326,1303 382.921,1304 560.55,1305 360,1306 5.721} {0 CHEMBL560521,1 1.53,2 9.308,3 2.793,4 7.799,5 101.833,6 7.987,7 0.759,8 3.879,9 4.003,10 3.506,11 3.465,12 5.098,13 3.458,14 4.339,15 4.494,16 3.882,17 3.862,18 5.57,19 3.838,20 4.544,21 4.707,22 3.944,23 4.007,24 5.699,25 3.961,26 4.643,27 4.83,28 3.911,29 4.018,30 5.776,31 3.951,32 4.663,33 4.882,34 3.86,35 3.975,36 5.727,37 3.901,38 4.609,39 4.834,40 3.833,41 3.926,42 5.673,43 3.858,44 4.557,45 4.765,46 3.729,47 3.865,48 5.68,49 3.784,50 4.569,51 4.823,52 3.47,53 3.7,54 5.733,55 3.577,56 0.047,57 0.668,58 7.563,59 3.336,60 11.668,61 4.157,62 0.201,63 1.036,64 13.281,65 5.716,66 28.171,67 7.378,68 0.123,69 1.215,70 16.811,71 7.294,72 25.587,73 9.332,74 0.176,75 1.325,76 19.622,77 8.049,78 32.381,79 10.525,80 0.194,81 1.333,82 21.67,83 8.22,84 36.888,85 11.15,86 0.235,87 1.297,88 20.498,89 7.495,90 30.037,91 10.294,92 0.135,93 1.211,94 18.591,95 7.237,96 25.116,97 9.765,98 0.383,99 1.163,100 21.493,101 7.288,102 59.224,103 10.104,104 18,105 42,106 0.261,107 0.601,108 0.741,109 0.836,110 0.86,111 0.86,112 3.305,113 0.84,114 -3.64,115 -3.61,116 -3.44,119 46.5,123 1,133 8,134 5,136 1,137 1,141 1,142 1,143 1,147 1,152 2,153 2,154 2,159 12,161 1,162 7,163 3,164 3,166 1,168 14,170 1,172 7,176 2,178 11,180 2,181 1,182 10,187 4,190 6,192 4,194 9,199 3,202 7,204 3,205 1,206 7,208 1,209 1,211 4,213 8,215 4,217 4,222 4,224 8,226 4,228 2,229 3,231 2,232 2,234 3,237 7,239 3,242 1,247 1,250 4,252 1,255 1022,256 17.499,257 17.499,258 17.499,259 17.499,260 17.499,261 14.779,262 9.149,263 10.123,264 17.728,265 14.298,266 14.298,267 14.298,268 14.298,269 14.298,270 10.215,271 7.351,272 4.776,273 14.671,274 3.896,275 1.906,276 1.087,277 0.529,278 0.39,279 0.39,280 4,283 1,284 1,285 526,286 2.739,288 48.116,289 214.898,291 92.349,295 1.408,296 20.751,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 55.5,307 242,308 4.71,309 3.5,310 6.937,311 4.274,312 3.295,313 4.656,314 0.98,315 11.731,316 3.227,317 4.361,318 3.305,319 6.473,320 3.939,321 2.957,322 4.075,324 10.039,325 2.909,326 4.098,327 2.955,328 5.928,329 3.717,330 2.716,331 3.658,333 8.202,334 2.71,335 3.696,336 2.459,337 5.698,338 3.285,339 2.324,340 3.087,342 7.392,343 2.236,344 3.512,345 2.222,346 5.156,347 3.074,348 2.134,349 2.887,351 6.115,352 1.993,353 3.326,354 2.006,355 4.901,356 2.85,357 1.89,358 2.681,360 5.301,361 1.807,362 3.068,363 1.905,364 4.554,365 2.583,366 1.585,367 2.286,369 4.342,370 1.575,371 2.795,372 1.451,373 4.045,374 2.299,375 1.311,376 1.907,378 3.267,379 1.291,380 2.625,381 1.241,382 3.713,383 2.122,384 1.135,385 1.658,386 2.751,387 1.116,388 2.586,389 1.14,390 3.584,391 2.06,392 1.082,393 1.583,394 2.683,395 1.051,396 2.5,397 1,398 3.462,399 2,400 1,401 1.5,402 2.275,403 1,404 2.201,405 0.773,406 3.414,407 1.713,408 0.743,409 1.068,411 1.883,412 0.719,413 1.3,414 0.21,415 2.779,416 0.911,417 -0.039,418 -0.05,420 -0.095,421 -0.037,422 0.828,423 0.002,424 2.451,425 0.392,426 -0.57,427 -0.711,429 -1.346,430 -0.541,431 0.798,432 -0.416,433 2.336,434 0.381,435 -0.596,436 -0.766,438 -1.409,439 -0.573,440 12.333,441 0.474,442 0.716,443 0.028,444 39,445 1.5,446 22,447 0.846,448 17,449 0.654,450 17.017,451 0.655,452 26.067,453 0.606,454 29.732,455 1.144,456 7.882,457 0.303,458 4.66,459 0.179,460 0.132,462 0.397,466 0.893,467 1.111,468 0.752,469 0.856,470 0.854,471 0.784,472 0.609,473 0.806,474 0.722,475 0.787,476 0.422,477 0.771,478 0.941,479 1.106,480 0.937,481 1.042,482 0.848,483 1.003,484 0.937,485 1.142,486 1.056,487 1.143,488 0.895,489 1.124,490 0.91,491 1.11,492 0.962,493 1.015,494 0.788,495 0.998,496 0.799,497 0.966,498 0.942,499 0.922,500 0.569,501 0.935,502 0.879,503 1.261,504 1.109,505 1.232,506 0.703,507 1.202,508 0.978,509 0.908,510 1.229,511 1.079,512 1.063,513 1.165,514 5,515 0.131,516 3.556,517 2.326,518 1.383,519 1.087,520 0.831,521 0.411,522 0.243,523 0.214,524 7326,525 20717,526 2.101,527 39.5,529 11,530 1,531 1,532 4,536 1.696,537 1.95,538 3.176,539 1.697,540 1,541 1,545 65.794,546 1.53,547 3.52,548 4.339,549 4.897,550 5.037,551 5.037,552 2.687,553 4.008,554 4.67,555 3.339,556 1085.33,557 8.125,558 13023.6,560 1,562 1,563 233.329,564 1.46,565 4.624,566 0.172,567 0.011,568 0.085,569 0.053,570 0.034,571 0.028,572 0.022,573 0.012,574 0.011,575 0.014,576 0.442,577 0.33,578 1,579 0.777,580 124.633,581 -0.132,582 0.007,583 0.017,584 0.077,585 -0.19,586 0.074,587 0.19,588 0.27,589 0.108,590 0.167,591 0.202,592 0.132,593 -0.112,594 -0.095,595 -0.08,596 -0.062,597 -0.05,598 -0.067,599 -0.08,600 -0.144,601 -0.153,602 -0.168,603 -0.077,604 -0.174,605 -0.081,606 -0.131,607 -0.005,608 -0.034,609 -0.063,610 -0.014,611 -0.015,612 0.053,613 0.012,614 0.036,615 -0.008,616 0.031,617 -0.089,618 -0.263,619 -0.178,620 -0.267,621 -0.004,622 -0.24,623 0.074,624 0.06,625 -0.186,626 -0.117,627 -0.009,628 -0.175,629 2.126,630 4.309,631 0.808,632 20.479,633 1.003,634 1.121,635 2.413,636 5.823,637 0.699,638 3.401,639 3.761,640 4.078,641 4.382,642 4.654,643 4.779,644 4.942,645 5.03,646 5.075,647 5.142,648 5.611,649 0.674,650 343.42,651 3.401,652 4.963,653 5.838,654 6.739,655 7.637,656 8.546,657 9.452,658 10.365,659 11.275,660 12.19,661 11.6,665 1,668 1,669 1,671 2,674 2,675 10,676 2,680 6,681 1,682 22,687 1,691 1,699 43,700 23,701 2,702 29,704 46,705 20,706 18,707 4,708 8,709 1,710 4,711 5,721 19,722 1,724 1,728 1,731 1,732 1,733 1,736 17,737 5,738 4,739 6,743 5,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,781 1,785 26,786 2,801 2.3,804 1,808 13.333,809 8.017,810 5.611,811 2.339,812 4.539,813 1.597,814 1.048,815 3.941,816 12.144,817 3.738,818 4.422,819 5.096,820 5.758,821 6.36,822 6.755,823 7.26,824 7.693,825 8.033,826 8.44,827 1,828 44,829 9.528,831 4.095,832 7.808,833 17.989,835 14.847,837 2.308,838 60,841 1,842 153.024,843 129.121,844 101.265,846 25.145,849 129.121,850 178.169,851 101.265,852 8.396,853 32.897,854 117.755,855 75.192,856 29.019,857 15.814,858 129.482,860 153.024,861 230.386,862 25.145,865 153.024,866 25.145,869 48.5,870 148.315,871 33.571,873 153.024,874 126.409,875 129.121,878 153.024,879 26.82,880 104.2,882 124.51,883 153.024,884 126.409,885 129.121,887 0.591,888 0.351,889 0.193,890 0.111,891 22,892 10,893 0.065,894 3,895 1,896 1.095,897 3.677,898 232.501,899 0.095,900 21,901 114.211,904 16.308,905 6.283,906 2.862,907 2.192,908 124.51,909 18.927,910 8.657,914 4.124,915 2.058,916 65.794,917 408.555,918 41,922 11.309,925 -0.459,926 43.138,927 48.192,928 0.282,929 0.649,930 0.8,931 0.902,932 0.928,933 0.928,934 4.973,935 1.311,936 5.844,937 4.342,938 4.443,939 5.109,940 1.072,941 6.703,942 4.396,943 6.221,944 1.135,945 7.434,946 3.267,947 4.111,948 4.997,950 7.706,951 4.044,952 7.553,953 1.082,954 9.127,955 2.751,956 6.08,957 7.415,958 1.045,959 10.841,960 5.994,961 8.925,962 1,963 10.879,964 2.683,965 6.567,966 8.144,968 12.69,969 6.467,970 10.329,971 0.743,972 12.669,973 2.275,974 8.028,975 10.032,976 1.019,977 15.355,978 7.911,979 11.758,980 -0.039,981 14.487,982 1.883,983 8.885,984 11.166,986 17.549,987 8.753,988 13.206,989 -0.57,990 16.324,991 -0.095,992 10.152,993 12.833,994 0.993,995 20.061,996 10.003,997 3.295,998 -0.596,999 18.176,1000 -1.346,1001 11.179,1002 14.167,1004 22.399,1005 11.012,1006 2.957,1007 11.731,1008 20.039,1009 -1.409,1010 12.374,1011 15.741,1012 0.967,1013 24.863,1014 12.188,1015 2.716,1016 10.039,1017 21.913,1018 4.656,1019 13.477,1020 17.174,1022 27.262,1023 13.272,1024 2.324,1025 8.202,1026 23.794,1027 4.075,1028 14.65,1029 18.712,1030 0.942,1031 29.713,1032 14.424,1033 2.134,1034 7.392,1035 25.681,1036 3.658,1037 15.789,1038 20.191,1040 32.139,1041 15.542,1042 1.89,1043 6.115,1044 27.575,1045 3.087,1046 16.957,1047 21.718,1048 0.917,1049 34.589,1050 16.69,1051 1.585,1052 5.301,1053 29.473,1054 2.887,1055 18.115,1056 23.221,1058 37.029,1059 17.825,1060 7040,1061 11943,1062 19.304,1063 30.051,1064 45.026,1065 45.108,1066 46.214,1067 44.407,1068 44.345,1069 62.092,1070 1.96,1071 131.965,1072 43.272,1073 5.433,1074 5.5,1075 6.616,1076 5.345,1077 5.295,1078 7.656,1079 1.96,1080 19.372,1081 5.227,1082 13.109,1083 1.553,1084 1.555,1085 1.594,1086 1.531,1087 1.529,1088 2.141,1089 0.068,1090 4.551,1091 1.492,1092 4.161,1093 4.193,1094 4.13,1095 4.08,1096 7.437,1097 4.088,1098 3.958,1099 3.985,1100 3.913,1101 3.891,1102 5.233,1103 3.892,1104 3.726,1105 3.775,1106 3.688,1107 3.575,1108 4.929,1109 3.596,1110 3.446,1111 3.513,1112 3.332,1113 3.289,1114 4.897,1115 3.294,1116 3.327,1117 3.384,1118 3.26,1119 3.065,1120 4.699,1121 3.108,1122 3.1,1123 3.179,1124 2.973,1125 2.935,1126 4.483,1127 2.932,1128 2.95,1129 3.046,1130 2.812,1131 2.735,1132 4.287,1133 2.719,1134 2.854,1135 2.925,1136 2.687,1137 2.694,1138 3.955,1139 2.715,1140 0.162,1141 0.121,1142 0.239,1143 0.147,1144 0.114,1145 4.71,1146 0.161,1147 3.5,1148 0.034,1149 6.937,1150 0.405,1151 4.274,1152 0.111,1153 3.295,1154 4.656,1155 0.98,1156 11.731,1157 3.227,1158 1.988,1159 1.968,1160 2.062,1161 2.07,1162 1.2,1163 2.066,1164 1.917,1165 1.892,1166 2.015,1167 2.013,1168 1.127,1169 2.014,1170 1.712,1171 1.672,1172 1.81,1173 1.883,1174 0.901,1175 1.864,1176 1.487,1177 1.421,1178 1.674,1179 1.715,1180 0.697,1181 1.71,1182 1.194,1183 1.147,1184 1.376,1185 1.519,1186 0.421,1187 1.483,1188 1.119,1189 1.06,1190 1.353,1191 1.318,1192 0.218,1193 1.334,1194 0.888,1195 0.821,1196 1.191,1197 1.192,1198 0.191,1199 1.207,1200 0.886,1201 0.796,1202 1.181,1203 1.062,1204 0.153,1205 1.107,1206 4.078,1208 5.425,1209 2.398,1210 6.973,1211 4.844,1212 8.609,1213 7.034,1214 10.294,1216 1.998,1220 11.193,1231 28.983,1232 65.794,1233 151.355,1234 186.574,1235 210.574,1236 216.574,1237 216.574,1238 36.218,1239 7.605,1240 99.82,1241 99.82,1242 23,1243 12.703,1244 4.585,1245 3.7,1246 37.796,1247 84,1248 96,1249 0.218,1250 178.81,1251 296.27,1252 428.056,1253 20241,1255 18.259,1256 0.702,1257 0.545,1258 18.259,1259 14.178,1260 12.542,1261 0.432,1262 0.28,1263 8.02,1264 12.161,1265 7.805,1266 6.499,1267 12.542,1268 8.116,1269 11.654,1270 0.277,1271 0.145,1272 11.654,1273 6.103,1274 9.932,1275 0.171,1276 0.077,1277 9.932,1278 4.44,1279 8.463,1280 0.107,1281 0.04,1282 8.463,1283 3.156,1284 7.112,1285 0.068,1286 0.021,1287 7.112,1288 2.189,1289 0.331,1290 77.927,1291 0.228,1292 24.543,1293 0.632,1294 142,1295 389.295,1296 152.291,1297 390.327,1298 543.92,1299 364,1300 171,1301 413.425,1302 180.988,1303 425.491,1304 622.82,1305 400,1306 5.699} {0 CHEMBL560787,1 1.475,2 9.308,3 3.53,4 12.463,5 103.655,6 7.782,7 0.759,8 3.889,9 4.007,10 3.503,11 3.497,12 5.065,13 3.478,14 4.369,15 4.532,16 3.876,17 3.888,18 5.517,19 3.855,20 4.563,21 4.725,22 3.941,23 4.031,24 5.702,25 3.978,26 4.655,27 4.839,28 3.907,29 4.05,30 5.75,31 3.972,32 4.693,33 4.914,34 3.86,35 4.007,36 5.723,37 3.922,38 4.634,39 4.864,40 3.831,41 3.947,42 5.674,43 3.871,44 4.563,45 4.77,46 3.723,47 3.889,48 5.661,49 3.801,50 4.581,51 4.831,52 3.457,53 3.742,54 5.688,55 3.61,56 0.023,57 0.645,58 7.94,59 3.633,60 8.223,61 4.64,62 0.152,63 1.035,64 14.477,65 6.124,66 18.216,67 8.021,68 0.126,69 1.203,70 17.884,71 7.592,72 27.346,73 9.745,74 0.141,75 1.315,76 20.289,77 8.513,78 28.12,79 11.24,80 0.159,81 1.356,82 22.812,83 8.832,84 32.703,85 12.083,86 0.223,87 1.324,88 21.621,89 7.866,90 28.626,91 10.897,92 0.117,93 1.21,94 19.133,95 7.469,96 24.266,97 10.126,98 0.307,99 1.179,100 21.763,101 7.665,102 52.068,103 10.623,104 18,105 42,106 0.251,107 0.601,108 0.752,109 0.83,110 0.853,111 0.853,112 3.305,113 0.861,114 -4.23,115 -4.17,116 -3.94,119 47.7,120 1,123 1,133 8,134 5,136 1,137 1,141 1,142 1,143 1,146 1,152 1,153 1,154 1,159 12,161 1,162 8,163 2,164 2,168 15,172 7,178 13,181 1,182 10,187 2,190 8,192 2,194 9,199 2,202 8,204 2,205 1,206 7,208 1,209 1,211 3,213 9,215 3,217 4,222 4,224 8,226 4,228 2,229 5,234 2,237 8,239 2,242 1,250 5,255 1022,256 17.499,257 17.499,258 17.499,259 17.499,260 17.499,261 14.779,262 8.753,263 10.123,264 17.703,265 14.298,266 14.298,267 14.298,268 14.298,269 14.298,270 10.215,271 6.842,272 4.776,273 14.634,274 3.984,275 1.926,276 1.034,277 0.58,278 0.443,279 0.443,280 4,283 1,284 1,285 526,286 2.739,288 48.116,289 214.898,291 92.349,295 1.408,296 18.88,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 55,307 242,308 4.71,309 3.544,310 6.937,311 4.274,312 3.295,313 4.656,314 1.277,315 11.731,316 3.227,317 4.361,318 3.306,319 6.473,320 3.94,321 2.957,322 4.075,324 10.039,325 2.915,326 4.098,327 2.956,328 5.928,329 3.725,330 2.716,331 3.658,333 8.202,334 2.736,335 3.696,336 2.46,337 5.698,338 3.287,339 2.324,340 3.087,342 7.392,343 2.242,344 3.512,345 2.222,346 5.156,347 3.074,348 2.134,349 2.887,351 6.115,352 1.993,353 3.326,354 2.007,355 4.901,356 2.85,357 1.89,358 2.681,360 5.301,361 1.807,362 3.068,363 1.906,364 4.554,365 2.59,366 1.585,367 2.286,369 4.342,370 1.588,371 2.795,372 1.451,373 4.045,374 2.304,375 1.311,376 1.907,378 3.267,379 1.298,380 2.625,381 1.241,382 3.713,383 2.128,384 1.135,385 1.658,386 2.751,387 1.123,388 2.586,389 1.14,390 3.584,391 2.063,392 1.082,393 1.583,394 2.683,395 1.056,396 2.5,397 1,398 3.462,399 2,400 1,401 1.5,402 2.275,403 1,404 2.201,405 0.773,406 3.414,407 1.713,408 0.743,409 1.068,411 1.883,412 0.719,413 1.3,414 0.347,415 2.779,416 0.913,417 -0.039,418 -0.05,420 -0.095,421 -0.037,422 0.828,423 0.045,424 2.451,425 0.392,426 -0.57,427 -0.711,429 -1.346,430 -0.541,431 0.798,432 -0.416,433 2.336,434 0.382,435 -0.596,436 -0.766,438 -1.409,439 -0.574,440 12.433,441 0.478,442 0.716,443 0.028,444 38.75,445 1.49,446 22,447 0.846,448 16.75,449 0.644,450 17.631,451 0.678,452 25.967,453 0.59,454 29.118,455 1.12,456 7.755,457 0.298,458 4.787,459 0.184,460 0.139,462 0.394,466 0.781,467 1.154,468 0.746,469 0.922,470 0.737,471 0.84,472 0.706,473 0.802,474 0.723,475 0.774,476 0.521,477 0.75,478 1.104,479 1.072,480 0.976,481 1,482 1.069,483 0.981,484 0.915,485 1.159,486 1.06,487 1.153,488 0.886,489 1.133,490 0.892,491 1.136,492 0.951,493 1.018,494 0.768,495 0.995,496 0.841,497 0.958,498 0.936,499 0.885,500 0.596,501 0.902,502 0.923,503 1.244,504 1.12,505 1.193,506 0.736,507 1.175,508 1.05,509 1.004,510 1.24,511 1.101,512 1.109,513 1.169,514 5,515 0.131,516 3.556,517 2.326,518 1.383,519 1.087,520 0.831,521 0.411,522 0.243,523 0.214,524 7326,525 19451,526 2.101,527 40.9,529 11,530 1,531 1,532 2,533 3,536 1.696,537 1.95,538 3.176,539 0.213,541 1,545 64.918,546 1.475,547 3.534,548 4.425,549 4.88,550 5.016,551 5.016,552 2.687,553 4.008,554 4.67,555 3.339,556 1085.33,557 8.125,558 13023.6,560 1,562 1,563 240.215,564 1.46,565 4.624,566 0.172,567 0.011,568 0.085,569 0.053,570 0.034,571 0.028,572 0.022,573 0.012,574 0.011,575 0.014,576 0.442,577 0.33,578 1,579 0.777,580 124.633,581 -0.058,582 -0.069,583 0.04,584 0.015,585 -0.129,586 0.036,587 0.118,588 0.263,589 0.14,590 0.173,591 0.109,592 0.161,593 -0.147,594 -0.06,595 -0.097,596 -0.035,597 -0.097,598 -0.057,599 -0.054,600 -0.161,601 -0.156,602 -0.185,603 -0.067,604 -0.187,605 -0.051,606 -0.149,607 0.012,608 -0.045,609 -0.039,610 -0.017,611 -0.004,612 0.086,613 0.031,614 0.059,615 -0.002,616 0.053,617 -0.097,618 -0.227,619 -0.187,620 -0.242,621 -0.008,622 -0.227,623 0.01,624 -0.017,625 -0.214,626 -0.141,627 -0.04,628 -0.19,629 1.626,630 4.531,631 0.808,632 20.479,633 0.998,634 1.116,635 3.002,636 9.012,637 0.7,638 3.401,639 3.761,640 4.078,641 4.382,642 4.654,643 4.779,644 4.942,645 5.03,646 5.075,647 5.142,648 5.611,649 0.67,650 342.43,651 3.401,652 4.963,653 5.838,654 6.739,655 7.637,656 8.546,657 9.452,658 10.365,659 11.275,660 12.19,661 9.1,665 1,669 1,671 2,674 2,675 10,676 2,680 6,681 1,682 22,686 1,691 1,699 44,700 23,701 2,702 29,704 47,705 21,706 18,707 4,708 8,709 1,710 4,711 5,715 1,721 19,722 2,724 1,728 1,731 1,732 1,733 1,736 18,737 4,738 2,739 5,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,781 2,785 26,786 1,801 2.3,804 1,808 13.333,809 8.683,810 5.611,811 2.506,812 4.539,813 1.597,814 1.035,815 3.963,816 12.144,817 3.738,818 4.422,819 5.096,820 5.758,821 6.36,822 6.755,823 7.26,824 7.693,825 8.033,826 8.44,827 1,828 44,829 9.549,831 4.078,832 7.731,833 18.196,835 15.007,837 2.231,838 58,841 1,842 188.338,843 138.375,844 68.367,846 25.145,849 138.375,850 213.483,851 68.367,852 17.222,854 117.755,855 75.621,856 29.019,857 15.814,858 164.795,860 188.338,861 206.742,862 25.145,865 188.338,866 25.145,869 24.428,870 148.744,871 33.571,873 188.338,874 93.512,875 138.375,878 188.338,879 27.249,880 113.025,882 91.613,883 188.338,884 93.512,885 138.375,887 0.591,888 0.351,889 0.193,890 0.111,891 22,892 10,893 0.064,894 3,895 1,896 1.095,897 3.677,898 232.501,899 0.095,900 21,901 114.211,904 16.345,905 6.305,906 2.875,907 2.229,908 91.613,909 19.445,910 8.706,914 4.519,915 2.075,916 32.897,917 420.225,918 41,922 11.531,925 0.041,926 43.92,927 49.109,928 0.27,929 0.647,930 0.811,931 0.894,932 0.919,933 0.919,934 4.973,935 1.311,936 5.844,937 4.342,938 4.443,939 5.109,940 1.45,941 6.703,942 4.401,943 6.221,944 1.135,945 7.434,946 3.267,947 4.111,948 4.997,950 7.706,951 4.056,952 7.553,953 1.082,954 9.127,955 2.751,956 6.08,957 7.415,958 1.845,959 10.841,960 6.004,961 8.925,962 1,963 10.879,964 2.683,965 6.567,966 8.144,968 12.69,969 6.482,970 10.329,971 0.743,972 12.669,973 2.275,974 8.028,975 10.032,976 2.271,977 15.355,978 7.924,979 11.758,980 -0.039,981 14.487,982 1.883,983 8.885,984 11.166,986 17.549,987 8.769,988 13.206,989 -0.57,990 16.324,991 -0.095,992 10.152,993 12.833,994 2.72,995 20.061,996 10.018,997 3.295,998 -0.596,999 18.176,1000 -1.346,1001 11.179,1002 14.167,1004 22.399,1005 11.028,1006 2.957,1007 11.731,1008 20.039,1009 -1.409,1010 12.374,1011 15.741,1012 3.184,1013 24.863,1014 12.204,1015 2.716,1016 10.039,1017 21.913,1018 4.656,1019 13.477,1020 17.174,1022 27.262,1023 13.288,1024 2.324,1025 8.202,1026 23.794,1027 4.075,1028 14.65,1029 18.712,1030 3.658,1031 29.713,1032 14.44,1033 2.134,1034 7.392,1035 25.681,1036 3.658,1037 15.789,1038 20.191,1040 32.139,1041 15.558,1042 1.89,1043 6.115,1044 27.575,1045 3.087,1046 16.957,1047 21.718,1048 4.138,1049 34.589,1050 16.704,1051 1.585,1052 5.301,1053 29.473,1054 2.887,1055 18.115,1056 23.221,1058 37.029,1059 17.839,1060 7040,1061 11575,1062 19.304,1063 30.807,1064 45.026,1065 45.227,1066 46.214,1067 44.393,1068 44.345,1069 62.092,1070 2.555,1071 131.965,1072 43.411,1073 5.433,1074 5.544,1075 6.616,1076 5.345,1077 5.295,1078 7.656,1079 2.555,1080 19.372,1081 5.227,1082 13.109,1083 1.553,1084 1.56,1085 1.594,1086 1.531,1087 1.529,1088 2.141,1089 0.088,1090 4.551,1091 1.497,1092 4.162,1093 4.194,1094 4.13,1095 4.08,1096 7.428,1097 4.088,1098 3.961,1099 3.987,1100 3.915,1101 3.897,1102 5.233,1103 3.897,1104 3.733,1105 3.78,1106 3.692,1107 3.586,1108 4.925,1109 3.606,1110 3.446,1111 3.514,1112 3.333,1113 3.294,1114 4.725,1115 3.297,1116 3.395,1117 3.445,1118 3.293,1119 3.201,1120 4.494,1121 3.215,1122 3.104,1123 3.184,1124 2.975,1125 2.935,1126 4.287,1127 2.933,1128 2.968,1129 3.058,1130 2.825,1131 2.767,1132 3.955,1133 2.774,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 3.782,1139 2.715,1140 0.162,1141 0.122,1142 0.239,1143 0.147,1144 0.114,1145 4.71,1146 0.161,1147 3.544,1148 0.044,1149 6.937,1150 0.405,1151 4.274,1152 0.111,1153 3.295,1154 4.656,1155 1.277,1156 11.731,1157 3.227,1158 1.99,1159 1.97,1160 2.066,1161 2.07,1162 1.203,1163 2.068,1164 1.919,1165 1.895,1166 2.019,1167 2.013,1168 1.134,1169 2.016,1170 1.72,1171 1.681,1172 1.823,1173 1.888,1174 0.913,1175 1.872,1176 1.493,1177 1.43,1178 1.698,1179 1.716,1180 0.746,1181 1.714,1182 1.349,1183 1.293,1184 1.612,1185 1.58,1186 0.628,1187 1.594,1188 1.12,1189 1.06,1190 1.353,1191 1.322,1192 0.41,1193 1.338,1194 0.937,1195 0.855,1196 1.212,1197 1.198,1198 0.218,1199 1.218,1200 0.886,1201 0.821,1202 1.181,1203 1.062,1204 0.189,1205 1.107,1206 4.078,1208 5.425,1209 2.398,1210 6.973,1211 4.844,1212 8.609,1213 7.034,1214 10.294,1216 3.57,1220 5.884,1231 29.488,1232 64.918,1233 155.486,1234 194.705,1235 214.705,1236 220.705,1237 220.705,1238 35.855,1239 7.605,1240 73.8,1241 73.8,1242 23,1243 12.703,1244 4.585,1245 3.7,1246 37.796,1247 84,1248 96,1249 0.218,1250 181.608,1251 302.57,1252 434.884,1253 20241,1255 18.259,1256 0.702,1257 0.562,1258 18.259,1259 14.601,1260 12.542,1261 0.432,1262 0.287,1263 8.241,1264 12.195,1265 7.961,1266 6.645,1267 12.542,1268 8.327,1269 11.654,1270 0.277,1271 0.15,1272 11.654,1273 6.295,1274 9.932,1275 0.171,1276 0.079,1277 9.932,1278 4.562,1279 8.463,1280 0.107,1281 0.041,1282 8.463,1283 3.227,1284 7.112,1285 0.068,1286 0.021,1287 7.112,1288 2.224,1289 0.331,1290 77.638,1291 0.228,1292 24.543,1293 0.632,1294 142,1295 379.983,1296 151.153,1297 380.338,1298 532.24,1299 356,1300 171,1301 404.58,1302 180.155,1303 416.779,1304 609.66,1305 392,1306 5.301} {0 CHEMBL562648,1 1.783,2 10.148,3 5.704,4 32.54,5 95.93,6 9.259,7 0.733,8 3.847,9 3.948,10 3.575,11 3.393,12 5.13,13 3.431,14 4.351,15 4.467,16 4.054,17 3.774,18 6.19,19 3.798,20 4.459,21 4.62,22 3.919,23 3.888,24 5.632,25 3.869,26 4.528,27 4.695,28 3.963,29 3.888,30 5.821,31 3.875,32 4.607,33 4.81,34 3.954,35 3.853,36 5.943,37 3.851,38 4.524,39 4.722,40 3.851,41 3.782,42 5.816,43 3.772,44 4.439,45 4.64,46 3.677,47 3.694,48 5.645,49 3.645,50 4.393,51 4.632,52 3.524,53 3.486,54 5.609,55 3.44,56 0.206,57 0.829,58 4.782,59 3.328,60 30.159,61 3.141,62 1.13,63 1.561,64 10.502,65 5.737,66 145.626,67 5.626,68 0.444,69 1.296,70 12.54,71 6.673,72 46.205,73 7.481,74 0.505,75 1.472,76 13.441,77 7.148,78 44.287,79 7.856,80 0.748,81 1.598,82 18.557,83 7.66,84 91.983,85 8.329,86 0.696,87 1.384,88 16.144,89 6.692,90 89.688,91 7.103,92 0.534,93 1.138,94 14.091,95 6.186,96 51.316,97 7.34,98 0.536,99 1.107,100 16.958,101 6.52,102 61.81,103 8.205,104 19,105 44,106 0.31,107 0.606,108 0.765,109 0.852,110 0.861,111 0.861,112 3.341,113 0.796,114 -4.19,115 -4.14,116 -3.91,119 47.5,128 1,133 8,134 4,135 1,136 1,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 10,161 1,162 5,163 2,164 2,166 3,168 12,172 5,176 2,178 10,182 7,185 1,187 4,190 5,192 2,194 8,199 3,202 7,204 2,206 2,209 1,210 1,211 5,212 1,213 7,215 3,216 2,217 3,222 6,224 7,226 4,229 2,234 1,237 6,239 1,242 1,244 1,245 2,250 2,255 1146,256 17.894,257 17.894,258 17.894,259 17.894,260 17.894,261 15.363,262 8.351,263 10.368,264 18.539,265 14.851,266 14.851,267 14.851,268 14.851,269 14.851,270 11.092,271 7.882,272 4.958,273 16.037,274 3.539,275 1.837,276 0.919,277 0.419,278 0.369,279 0.369,280 4.035,285 594,286 3.317,288 51.54,289 233.305,291 98.648,295 1.572,296 36.595,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 61.5,307 274,308 4.649,309 4.437,310 6.873,311 4.229,312 3.245,313 4.56,314 4.032,315 11.5,316 3.193,317 4.318,318 3.247,319 6.456,320 3.915,321 3.138,322 4.042,323 0.394,324 10.196,325 2.842,326 4.171,327 2.898,328 6.346,329 3.838,330 2.876,331 3.549,333 9.633,334 2.466,335 3.852,336 2.672,337 5.593,338 3.407,339 2.465,340 3.126,342 7.304,343 2.241,344 3.534,345 2.357,346 5.2,347 3.101,348 2.181,349 2.882,351 6.457,352 1.981,353 3.431,354 2.106,355 5.025,356 3.015,357 2.051,358 2.748,360 5.927,361 1.958,362 3.046,363 1.549,364 4.603,365 2.52,366 1.547,367 2.319,369 4.375,370 1.503,371 2.93,372 1.526,373 4.198,374 2.447,375 1.469,376 2.121,378 3.676,379 1.432,380 2.711,381 1.258,382 3.864,383 2.203,384 1.238,385 1.808,386 3.085,387 1.192,388 2.5,389 1,390 3.56,391 2,392 1,393 1.5,394 2.496,395 1,396 2.5,397 1,398 3.414,399 1.953,400 1,401 1.5,402 2.275,403 0.95,404 1.985,405 0.614,406 3.15,407 1.465,408 0.507,409 0.743,411 1.214,412 0.485,413 1.412,414 0.51,415 3.093,416 1.055,417 0.142,418 0.172,420 0.363,421 0.128,422 1.043,423 0.51,424 2.724,425 0.661,426 -0.239,427 -0.292,429 -0.632,430 -0.214,431 0.772,432 0.483,433 2.398,434 0.32,435 -0.628,436 -0.824,438 -1.663,439 -0.593,440 12.29,441 0.455,442 0.853,443 0.032,444 39,445 1.444,446 21,447 0.778,448 18,449 0.667,450 17.824,451 0.66,452 28.51,453 0.713,454 31.144,455 1.153,456 8.02,457 0.297,458 4.884,459 0.181,460 0.102,461 0.041,462 0.325,465 3,466 0.665,467 0.898,468 0.602,469 0.891,470 0.662,471 0.766,472 0.204,473 0.524,474 0.601,475 0.799,476 0.215,477 0.87,478 0.506,479 0.724,480 0.795,481 0.964,482 0.354,483 1.005,484 0.622,485 0.923,486 0.881,487 1.121,488 0.514,489 1.134,490 0.95,491 1.015,492 1.002,493 0.97,494 0.937,495 0.984,496 0.899,497 0.858,498 1.107,499 0.946,500 0.886,501 1.048,502 0.526,503 0.735,504 1.043,505 1.097,506 0.433,507 1.242,508 0.677,509 0.923,510 0.923,511 1.161,512 0.636,513 1.163,514 6.5,515 0.207,516 3.111,517 2.007,518 1.498,519 0.941,520 0.792,521 0.352,522 0.317,523 0.222,524 8513,525 32543,526 2.088,527 32.5,529 8,530 1,531 1,532 3,536 1.703,537 1.94,538 3.28,539 0.981,545 71.306,546 1.783,547 3.485,548 4.403,549 4.903,550 4.953,551 4.953,552 2.756,553 4.357,554 4.723,555 3.488,556 1224.34,557 8.216,558 15354.9,563 212.877,564 1.596,565 4.673,566 0.217,567 0.013,568 0.071,569 0.048,570 0.036,571 0.023,572 0.021,573 0.012,574 0.013,575 0.011,576 0.464,577 0.5,578 1,579 0.936,580 132.531,581 -0.085,582 -0.033,584 0.033,585 -0.151,586 0.063,587 0.701,588 0.488,589 0.144,590 0.158,591 0.621,592 -0.03,593 -0.02,594 -0.034,595 -0.025,596 -0.021,597 0.019,598 -0.022,599 -0.027,600 -0.148,601 -0.069,602 -0.175,603 0.022,604 -0.161,605 -0.133,606 -0.1,607 -0.045,608 -0.004,609 -0.086,610 0.022,611 -0.143,612 0.007,613 -0.196,614 -0.018,615 -0.141,616 -0.082,617 0.013,618 -0.085,619 -0.15,620 -0.184,621 -0.004,622 -0.226,623 0.017,624 -0.226,625 0.162,626 -0.189,627 0.019,628 -0.027,629 5.985,630 4.348,631 0.778,632 24.23,633 1.039,634 1.143,635 2.964,636 8.783,637 0.696,638 3.434,639 3.807,640 4.043,641 4.369,642 4.615,643 4.718,644 4.898,645 5.03,646 5.056,647 5.13,648 6.125,649 0.703,650 370.36,651 3.434,652 5.004,653 5.855,654 6.763,655 7.636,656 8.547,657 9.431,658 10.342,659 11.233,660 12.145,661 10,665 1,669 1,671 2,674 2,675 10,676 2,677 1,680 6,682 22,691 1,697 1,699 40,700 22,701 2,702 30,704 43,705 19,706 18,707 4,708 8,710 4,711 5,721 18,722 1,734 3,736 13,737 7,738 3,739 8,743 4,747 0.75,748 1,755 1,756 1,759 1,760 3,762 1,777 3,783 3,785 27,786 1,791 1,795 1,800 3,801 2.5,806 1,808 13.917,809 7.162,810 5.681,811 2.171,812 4.473,813 1.583,814 1.05,815 4.248,816 12.147,817 3.738,818 4.41,819 5.035,820 5.706,821 6.297,822 6.674,823 7.175,824 7.642,825 7.949,826 8.358,827 0.857,828 42,829 10.456,831 4.958,832 8.262,833 18.045,835 14.797,837 2.762,838 74.583,842 117.711,843 127.895,844 83.254,846 11,847 44.88,849 127.895,850 128.711,851 128.134,854 117.755,855 45.342,856 101.843,857 15.814,858 94.169,859 9.817,860 117.711,861 211.149,862 55.88,865 117.711,866 11,867 44.88,868 9.817,869 30.489,870 137.272,871 33.571,873 162.591,874 94.254,875 127.895,878 127.528,879 24.173,880 93.905,881 16.786,882 122.348,883 117.711,884 139.134,885 127.895,887 0.594,888 0.321,889 0.183,890 0.105,891 23,892 10,893 0.07,894 3,895 1,896 1.095,897 3.803,898 240.155,899 0.095,900 21,901 119.627,904 17.379,905 6.6,906 3.597,907 1.887,908 122.348,909 16.62,910 8.393,911 3.173,914 2.513,916 49.683,917 384.74,918 41,926 41.574,927 45.713,928 0.335,929 0.655,930 0.827,931 0.921,932 0.931,933 0.931,934 4.987,935 1.469,936 5.889,937 4.375,938 4.489,939 5.097,940 3.176,941 6.749,942 4.361,943 6.239,944 1.238,945 7.478,946 3.676,947 4.29,948 4.987,949 4.042,950 7.888,951 3.991,952 7.574,953 1,954 9.172,955 3.085,956 6.176,957 7.377,958 5.634,959 10.907,960 5.917,961 8.945,962 1,963 10.927,964 2.496,965 6.746,966 8.067,967 6.952,968 12.814,969 6.344,970 10.344,971 0.507,972 12.72,973 2.275,974 8.167,975 9.953,976 8.373,977 15.417,978 7.786,979 11.765,980 0.142,981 14.539,982 1.214,983 9.064,984 11.041,985 9.758,986 17.615,987 8.59,988 13.203,989 -0.239,990 16.376,991 0.363,992 10.312,993 12.706,994 11.156,995 20.087,996 9.839,997 3.245,998 -0.628,999 18.226,1000 -0.632,1001 11.353,1002 14.001,1003 12.548,1004 22.405,1005 10.823,1006 3.138,1007 11.5,1008 20.087,1009 -1.663,1010 12.538,1011 15.567,1012 13.943,1013 24.834,1014 11.998,1015 2.876,1016 10.196,1017 21.955,1018 4.56,1019 13.641,1020 16.966,1021 15.337,1022 27.205,1023 13.067,1024 2.465,1025 9.633,1026 23.83,1027 4.042,1028 14.803,1029 18.491,1030 16.732,1031 29.623,1032 14.216,1033 2.181,1034 7.304,1035 25.711,1036 3.549,1037 15.935,1038 19.943,1039 18.126,1040 32.018,1041 15.325,1042 2.051,1043 6.457,1044 27.595,1045 3.126,1046 17.091,1047 21.452,1048 19.52,1049 34.435,1050 16.468,1051 1.547,1052 5.927,1053 29.483,1054 2.882,1055 18.237,1056 22.93,1057 20.915,1058 36.845,1059 17.597,1060 8172,1061 16214,1062 19.879,1063 27.858,1064 46.544,1065 45.687,1066 46.482,1067 46.03,1068 45.718,1069 62.139,1070 8.852,1071 137,1072 42.741,1073 5.433,1074 6.437,1075 6.555,1076 5.301,1077 5.245,1078 7.56,1079 5.542,1080 19.047,1081 5.193,1082 13.669,1083 1.551,1084 1.523,1085 1.549,1086 1.534,1087 1.524,1088 2.071,1089 0.295,1090 4.567,1091 1.425,1092 4.148,1093 4.18,1094 4.113,1095 4.067,1096 8.516,1097 4.075,1098 3.943,1099 3.97,1100 3.9,1101 3.869,1102 7.999,1103 3.871,1104 3.711,1105 3.757,1106 3.679,1107 3.551,1108 7.999,1109 3.573,1110 3.4,1111 3.442,1112 3.43,1113 3.232,1114 5.235,1115 3.238,1116 3.378,1117 3.43,1118 3.278,1119 2.966,1120 4.965,1121 3.066,1122 3.039,1123 3.127,1124 2.947,1125 2.825,1126 4.805,1127 2.837,1128 2.931,1129 2.994,1130 2.827,1131 2.747,1132 4.539,1133 2.783,1134 2.854,1135 2.925,1136 2.687,1137 2.735,1138 4.293,1139 2.715,1140 0.155,1141 0.148,1142 0.229,1143 0.141,1144 0.108,1145 4.649,1146 0.152,1147 4.437,1148 0.134,1149 6.873,1150 0.383,1151 4.229,1152 0.106,1153 3.245,1154 4.56,1155 4.032,1156 11.5,1157 3.193,1158 1.98,1159 1.96,1160 2.053,1161 2.065,1162 1.19,1163 2.059,1164 1.902,1165 1.877,1166 2.001,1167 1.996,1168 1.101,1169 1.998,1170 1.678,1171 1.639,1172 1.765,1173 1.858,1174 0.815,1175 1.832,1176 1.394,1177 1.332,1178 1.544,1179 1.631,1180 0.531,1181 1.614,1182 1.071,1183 1.044,1184 1.246,1185 1.526,1186 0.283,1187 1.388,1188 1.015,1189 0.964,1190 1.181,1191 1.272,1192 0.218,1193 1.26,1194 0.89,1195 0.823,1196 1.169,1197 1.139,1198 0.118,1199 1.15,1200 0.886,1201 0.821,1202 1.069,1203 1.062,1204 0.068,1205 1.107,1206 4.111,1208 5.468,1209 2.398,1210 7.008,1211 4.727,1212 8.63,1213 6.843,1214 10.298,1218 37.044,1220 5.772,1224 3.916,1228 -4.735,1231 28.111,1232 71.306,1233 139.393,1234 176.122,1235 196.122,1236 198.122,1237 198.122,1238 44.855,1239 7.674,1240 76.82,1241 76.82,1242 23,1243 12.663,1244 4.524,1245 3.585,1246 40.106,1247 96,1248 99,1249 0.202,1250 168.945,1251 288.82,1252 403.987,1253 22758,1254 7.5,1255 19.018,1256 0.704,1257 0.511,1258 16.518,1259 13.787,1260 12.905,1261 0.43,1262 0.265,1263 7.795,1264 12.258,1265 7.716,1266 6.348,1267 11.758,1268 7.958,1269 12.741,1270 0.29,1271 0.132,1272 10.385,1273 5.811,1274 9.554,1275 0.171,1276 0.072,1277 9.23,1278 4.051,1279 8.523,1280 0.109,1281 0.037,1282 7.861,1283 2.916,1284 7.064,1285 0.071,1286 0.02,1287 6.569,1288 1.973,1289 0.312,1290 82.046,1291 0.224,1292 25.63,1293 0.57,1294 148,1295 629.004,1296 177.738,1297 530.538,1298 705.16,1299 492,1300 174,1301 511.371,1302 193.046,1303 499.056,1304 754.48,1305 468,1306 5.538} {0 CHEMBL563961,1 1.572,2 9.308,3 3.395,4 11.525,5 100.011,6 8.2,7 0.759,8 3.863,9 3.971,10 3.508,11 3.45,12 5.106,13 3.45,14 4.32,15 4.461,16 3.888,17 3.846,18 5.625,19 3.829,20 4.524,21 4.681,22 3.946,23 3.991,24 5.697,25 3.95,26 4.631,27 4.808,28 3.915,29 3.995,30 5.8,31 3.938,32 4.633,33 4.838,34 3.861,35 3.949,36 5.732,37 3.886,38 4.583,39 4.8,40 3.834,41 3.909,42 5.672,43 3.848,44 4.55,45 4.753,46 3.735,47 3.85,48 5.699,49 3.776,50 4.557,51 4.8,52 3.482,53 3.67,54 5.777,55 3.559,56 0.066,57 0.621,58 6.989,59 3.389,60 12.414,61 3.929,62 0.266,63 0.987,64 12.346,65 5.571,66 38.262,67 6.856,68 0.142,69 1.162,70 15.707,71 7.19,72 22.768,73 8.929,74 0.242,75 1.264,76 18.941,77 8.053,78 36.843,79 9.988,80 0.257,81 1.273,82 20.455,83 7.997,84 41.709,85 10.353,86 0.266,87 1.266,88 19.284,89 7.253,90 31.385,91 9.664,92 0.18,93 1.183,94 18.017,95 7.246,96 25.979,97 9.449,98 0.478,99 1.12,100 21.206,101 7.262,102 66.224,103 9.729,104 18,105 42,106 0.27,107 0.623,108 0.758,109 0.84,110 0.864,111 0.864,112 3.305,113 0.833,114 -4.05,115 -4,116 -3.79,119 47.6,123 1,133 8,134 5,136 1,137 1,141 1,142 1,143 1,147 1,152 1,153 1,154 1,156 1,158 1,159 12,160 1,161 1,162 7,163 2,164 3,166 1,168 14,169 2,172 7,176 2,178 11,179 2,181 1,182 10,187 4,190 6,191 1,192 2,194 9,199 3,202 7,203 1,204 2,205 1,206 7,208 1,209 1,211 4,213 8,215 3,217 4,218 2,222 4,224 8,225 1,226 4,228 2,229 3,232 2,234 3,237 7,238 1,239 2,242 1,243 1,247 1,248 1,250 4,251 1,253 1,255 1022,256 17.499,257 17.499,258 17.499,259 17.499,260 17.499,261 14.779,262 8.602,263 10.123,264 17.754,265 14.298,266 14.298,267 14.298,268 14.298,269 14.298,270 10.215,271 6.651,272 4.776,273 14.71,274 3.82,275 1.761,276 0.97,277 0.494,278 0.351,279 0.351,280 4,283 1,284 1,285 526,286 2.739,288 48.116,289 214.898,291 92.349,295 1.408,296 23.567,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 56,307 242,308 4.71,309 3.576,310 6.937,311 4.274,312 3.295,313 4.656,314 1.437,315 11.731,316 3.227,317 4.361,318 3.306,319 6.473,320 3.938,321 2.957,322 4.075,324 10.039,325 2.904,326 4.098,327 2.956,328 5.928,329 3.708,330 2.716,331 3.658,333 8.202,334 2.685,335 3.696,336 2.46,337 5.698,338 3.282,339 2.324,340 3.087,342 7.392,343 2.23,344 3.512,345 2.222,346 5.156,347 3.074,348 2.134,349 2.887,351 6.115,352 1.993,353 3.326,354 2.008,355 4.901,356 2.85,357 1.89,358 2.681,360 5.301,361 1.807,362 3.068,363 1.906,364 4.554,365 2.577,366 1.585,367 2.286,369 4.342,370 1.562,371 2.795,372 1.451,373 4.045,374 2.294,375 1.311,376 1.907,378 3.267,379 1.283,380 2.625,381 1.241,382 3.713,383 2.117,384 1.135,385 1.658,386 2.751,387 1.108,388 2.586,389 1.14,390 3.584,391 2.055,392 1.082,393 1.583,394 2.683,395 1.044,396 2.5,397 1,398 3.462,399 2,400 1,401 1.5,402 2.275,403 1,404 2.201,405 0.773,406 3.414,407 1.713,408 0.743,409 1.068,411 1.883,412 0.719,413 1.3,414 0.456,415 2.779,416 0.91,417 -0.039,418 -0.05,420 -0.095,421 -0.037,422 0.828,423 0.057,424 2.451,425 0.392,426 -0.57,427 -0.711,429 -1.346,430 -0.541,431 0.798,432 -0.416,433 2.336,434 0.38,435 -0.596,436 -0.766,438 -1.409,439 -0.571,440 12.267,441 0.472,442 0.716,443 0.028,444 39,445 1.5,446 22,447 0.846,448 17,449 0.654,450 16.884,451 0.649,452 26.133,453 0.622,454 29.866,455 1.149,456 7.906,457 0.304,458 4.636,459 0.178,460 0.128,462 0.399,466 0.876,467 1.123,468 0.729,469 0.871,470 0.837,471 0.787,472 0.524,473 0.805,474 0.713,475 0.78,476 0.365,477 0.771,478 0.753,479 1.111,480 0.897,481 1.049,482 0.641,483 1.004,484 0.941,485 1.13,486 1.052,487 1.121,488 0.897,489 1.113,490 0.887,491 1.135,492 0.975,493 1.003,494 0.786,495 1.002,496 0.685,497 0.992,498 0.947,499 0.927,500 0.507,501 0.953,502 0.785,503 1.261,504 1.097,505 1.228,506 0.648,507 1.207,508 0.914,509 0.905,510 1.219,511 1.053,512 1.011,513 1.154,514 5,515 0.131,516 3.556,517 2.326,518 1.383,519 1.087,520 0.831,521 0.411,522 0.243,523 0.214,524 7326,525 21983,526 2.101,527 38.1,529 11,530 1,531 1,532 3,536 1.696,537 1.95,538 3.176,539 0.936,540 1,541 1,545 66.039,546 1.572,547 3.631,548 4.422,549 4.898,550 5.041,551 5.041,552 2.687,553 4.008,554 4.67,555 3.339,556 1085.33,557 8.125,558 13023.6,559 1,560 1,562 1,563 226.477,564 1.46,565 4.624,566 0.172,567 0.011,568 0.085,569 0.053,570 0.034,571 0.028,572 0.022,573 0.012,574 0.011,575 0.014,576 0.442,577 0.5,578 1,579 0.777,580 124.633,581 -0.123,582 -0.04,583 0.011,584 0.062,585 -0.168,586 0.061,587 0.22,588 0.273,589 0.09,590 0.16,591 0.248,592 0.115,593 -0.067,594 -0.098,595 -0.062,596 -0.08,597 -0.004,598 -0.07,599 -0.092,600 -0.14,601 -0.15,602 -0.15,603 -0.078,604 -0.162,605 -0.096,606 -0.142,607 -0.025,608 -0.031,609 -0.076,610 -0.021,611 -0.02,612 0.061,613 -0.009,614 0.016,615 -0.01,616 0.011,617 -0.069,618 -0.252,619 -0.167,620 -0.269,622 -0.238,623 0.109,624 0.072,625 -0.155,626 -0.087,627 0.012,628 -0.148,629 2.626,630 4.087,631 0.808,632 20.479,633 1.009,634 1.117,635 2.819,636 7.947,637 0.702,638 3.401,639 3.761,640 4.078,641 4.382,642 4.654,643 4.779,644 4.942,645 5.03,646 5.075,647 5.142,648 5.611,649 0.683,650 344.4,651 3.401,652 4.963,653 5.838,654 6.739,655 7.637,656 8.546,657 9.452,658 10.365,659 11.275,660 12.19,661 9.5,665 1,669 1,671 2,674 2,675 10,676 2,680 6,681 1,682 22,689 1,691 1,699 42,700 23,701 2,702 29,704 45,705 20,706 18,707 4,708 8,709 1,710 4,711 5,721 19,722 1,724 1,728 1,731 1,732 1,733 1,736 16,737 5,738 3,739 6,743 4,747 0.75,748 2,755 1,756 1,759 1,760 3,762 1,775 1,777 3,781 1,785 26,786 1,788 1,801 4.8,803 1,804 1,808 13.333,809 7.883,810 5.611,811 2.306,812 4.539,813 1.597,814 1.016,815 3.941,816 12.144,817 3.738,818 4.422,819 5.096,820 5.758,821 6.36,822 6.755,823 7.26,824 7.693,825 8.033,826 8.44,827 1,828 44,829 9.541,831 4.127,832 7.885,833 17.898,835 14.776,837 2.385,838 62,841 1,842 153.024,843 125.326,844 68.367,846 67.828,849 125.326,850 220.853,851 68.367,852 8.396,854 117.755,855 114.08,856 29.019,857 15.814,858 129.482,860 153.024,861 193.694,862 67.828,865 153.024,866 67.828,869 15.602,870 144.52,871 33.571,873 153.024,874 136.196,875 125.326,878 153.024,879 23.025,880 104.2,882 134.297,883 153.024,884 136.196,885 125.326,887 0.591,888 0.351,889 0.193,890 0.111,891 22,892 10,893 0.067,894 3,895 1,896 1.095,897 3.677,898 232.501,899 0.095,900 21,901 114.211,904 16.308,905 6.283,906 2.862,907 2.156,908 134.297,909 18.41,910 8.607,914 3.73,915 2.042,916 75.581,917 414.546,918 41,922 11.087,925 -0.959,926 42.363,927 46.903,928 0.292,929 0.673,930 0.82,931 0.908,932 0.935,933 0.935,934 4.973,935 1.311,936 5.844,937 4.342,938 4.443,939 5.109,940 1.635,941 6.703,942 4.39,943 6.221,944 1.135,945 7.434,946 3.267,947 4.111,948 4.997,950 7.706,951 4.031,952 7.553,953 1.082,954 9.127,955 2.751,956 6.08,957 7.415,958 2.253,959 10.841,960 5.986,961 8.925,962 1,963 10.879,964 2.683,965 6.567,966 8.144,968 12.69,969 6.452,970 10.329,971 0.743,972 12.669,973 2.275,974 8.028,975 10.032,976 2.922,977 15.355,978 7.899,979 11.758,980 -0.039,981 14.487,982 1.883,983 8.885,984 11.166,986 17.549,987 8.738,988 13.206,989 -0.57,990 16.324,991 -0.095,992 10.152,993 12.833,994 3.619,995 20.061,996 9.989,997 3.295,998 -0.596,999 18.176,1000 -1.346,1001 11.179,1002 14.167,1004 22.399,1005 10.996,1006 2.957,1007 11.731,1008 20.039,1009 -1.409,1010 12.374,1011 15.741,1012 4.33,1013 24.863,1014 12.174,1015 2.716,1016 10.039,1017 21.913,1018 4.656,1019 13.477,1020 17.174,1022 27.262,1023 13.257,1024 2.324,1025 8.202,1026 23.794,1027 4.075,1028 14.65,1029 18.712,1030 5.047,1031 29.713,1032 14.411,1033 2.134,1034 7.392,1035 25.681,1036 3.658,1037 15.789,1038 20.191,1040 32.139,1041 15.529,1042 1.89,1043 6.115,1044 27.575,1045 3.087,1046 16.957,1047 21.718,1048 5.769,1049 34.589,1050 16.677,1051 1.585,1052 5.301,1053 29.473,1054 2.887,1055 18.115,1056 23.221,1058 37.029,1059 17.813,1060 7040,1061 12311,1062 19.304,1063 29.5,1064 45.026,1065 45.353,1066 46.214,1067 44.424,1068 44.345,1069 62.092,1070 2.873,1071 131.965,1072 43.126,1073 5.433,1074 5.576,1075 6.616,1076 5.345,1077 5.295,1078 7.656,1079 2.873,1080 19.372,1081 5.227,1082 13.109,1083 1.553,1084 1.564,1085 1.594,1086 1.532,1087 1.529,1088 2.141,1089 0.099,1090 4.551,1091 1.487,1092 4.161,1093 4.193,1094 4.129,1095 4.08,1096 7.475,1097 4.088,1098 3.955,1099 3.981,1100 3.912,1101 3.889,1102 6.351,1103 3.89,1104 3.722,1105 3.767,1106 3.686,1107 3.572,1108 5.233,1109 3.593,1110 3.445,1111 3.513,1112 3.332,1113 3.288,1114 4.925,1115 3.293,1116 3.276,1117 3.284,1118 3.233,1119 3.018,1120 4.718,1121 3.066,1122 3.097,1123 3.164,1124 2.971,1125 2.934,1126 4.489,1127 2.931,1128 2.933,1129 3.016,1130 2.802,1131 2.735,1132 4.287,1133 2.715,1134 2.854,1135 2.925,1136 2.687,1137 2.66,1138 3.955,1139 2.692,1140 0.162,1141 0.123,1142 0.239,1143 0.147,1144 0.114,1145 4.71,1146 0.161,1147 3.576,1148 0.05,1149 6.937,1150 0.405,1151 4.274,1152 0.111,1153 3.295,1154 4.656,1155 1.437,1156 11.731,1157 3.227,1158 1.987,1159 1.967,1160 2.06,1161 2.068,1162 1.199,1163 2.064,1164 1.915,1165 1.891,1166 2.014,1167 2.012,1168 1.126,1169 2.013,1170 1.708,1171 1.669,1172 1.808,1173 1.876,1174 0.9,1175 1.858,1176 1.485,1177 1.419,1178 1.671,1179 1.714,1180 0.695,1181 1.708,1182 1.124,1183 1.103,1184 1.353,1185 1.426,1186 0.419,1187 1.374,1188 1.111,1189 1.06,1190 1.257,1191 1.306,1192 0.218,1193 1.31,1194 0.886,1195 0.821,1196 1.181,1197 1.177,1198 0.189,1199 1.175,1200 0.842,1201 0.77,1202 1.108,1203 1.062,1204 0.124,1205 1.107,1206 4.078,1208 5.425,1209 2.398,1210 6.973,1211 4.844,1212 8.609,1213 7.034,1214 10.294,1216 1.984,1220 5.851,1221 9.092,1231 28.676,1232 66.039,1233 152.503,1234 185.722,1235 205.722,1236 211.722,1237 211.722,1238 38.015,1239 7.605,1240 94.03,1241 94.03,1242 23,1243 12.703,1244 4.585,1245 3.7,1246 37.796,1247 84,1248 96,1249 0.218,1250 176.012,1251 294.06,1252 421.229,1253 20241,1255 18.259,1256 0.702,1257 0.54,1258 18.259,1259 14.048,1260 12.542,1261 0.432,1262 0.278,1263 7.95,1264 12.129,1265 7.746,1266 6.44,1267 12.542,1268 8.051,1269 11.654,1270 0.277,1271 0.144,1272 11.654,1273 6.044,1274 9.932,1275 0.171,1276 0.076,1277 9.932,1278 4.402,1279 8.463,1280 0.107,1281 0.04,1282 8.463,1283 3.135,1284 7.112,1285 0.068,1286 0.021,1287 7.112,1288 2.178,1289 0.331,1290 78.215,1291 0.228,1292 24.543,1293 0.632,1294 142,1295 412.133,1296 153.478,1297 408.32,1298 563.68,1299 380,1300 171,1301 423.61,1302 181.816,1303 434.395,1304 636.78,1305 408,1306 6.046} {0 CHEMBL563962,1 1.425,2 7.783,3 2.64,4 6.969,5 91.095,6 7.931,7 0.846,8 3.762,9 3.886,10 3.4,11 3.356,12 4.941,13 3.347,14 4.226,15 4.392,16 3.753,17 3.744,18 5.362,19 3.719,20 4.398,21 4.574,22 3.79,23 3.878,24 5.448,25 3.823,26 4.474,27 4.666,28 3.765,29 3.891,30 5.499,31 3.816,32 4.509,33 4.721,34 3.773,35 3.861,36 5.549,37 3.793,38 4.512,39 4.739,40 3.739,41 3.813,42 5.601,43 3.747,44 4.438,45 4.663,46 3.513,47 3.714,48 5.489,49 3.611,50 4.381,51 4.666,52 3.044,53 3.457,54 5.355,55 3.285,56 0.023,57 0.602,58 6.692,59 2.916,60 8.092,61 3.728,62 0.16,63 0.951,64 12.036,65 4.785,66 17.116,67 6.257,68 0.087,69 1.079,70 14.636,71 6.114,72 13.391,73 8.115,74 0.102,75 1.145,76 16.388,77 6.882,78 15.023,79 9.288,80 0.102,81 1.182,82 17.895,83 6.918,84 19.476,85 9.484,86 0.265,87 1.214,88 18.563,89 6.465,90 28.237,91 8.827,92 0.116,93 1.08,94 17.04,95 6.439,96 22.646,97 8.838,98 0.242,99 0.972,100 18.525,101 6.228,102 36.657,103 8.829,104 5,105 37,106 0.25,107 0.599,108 0.768,109 0.843,110 0.853,111 0.853,112 3.19,113 0.844,114 -3.35,115 -3.34,116 -3.2,119 47.4,123 1,133 6,134 4,136 3,137 1,141 1,142 1,143 1,152 1,153 1,154 1,159 8,161 1,162 8,163 2,164 2,168 9,172 6,178 6,181 1,182 9,187 2,190 5,192 2,194 4,199 2,202 5,204 2,205 3,206 5,208 1,209 1,211 3,213 5,215 3,217 3,222 2,224 5,226 2,228 1,229 2,231 1,232 1,234 1,237 2,239 1,242 2,255 710,256 15.845,257 15.845,258 15.845,259 15.845,260 15.845,261 13.241,262 6.325,263 9.402,264 16.167,265 12.864,266 12.864,267 12.864,268 12.864,269 12.864,270 9.046,271 5,272 4.48,273 13.371,274 3.823,275 1.835,276 0.869,277 0.441,278 0.388,279 0.388,280 3.89,283 1,284 1,285 395,286 2,288 40.311,289 178.324,291 77.68,295 1.047,296 12.141,297 1,298 1,299 1,300 1,301 1,302 0.6,304 1,305 0.8,306 48.5,307 179,308 4.709,309 3.306,310 6.937,311 4.273,312 3.294,313 4.656,315 11.73,316 3.225,317 4.344,318 2.956,319 6.471,320 3.915,321 2.94,322 4.054,324 10.032,325 2.873,326 3.808,327 2.446,328 5.72,329 3.355,330 2.4,331 3.346,333 7.493,334 2.296,335 3.519,336 2.213,337 5.161,338 3.076,339 2.141,340 2.898,342 6.122,343 1.993,344 3.332,345 1.959,346 4.901,347 2.854,348 1.897,349 2.688,351 5.313,352 1.809,353 3.19,354 1.738,355 4.57,356 2.693,357 1.73,358 2.496,360 4.459,361 1.662,362 2.819,363 1.35,364 4.049,365 2.318,366 1.346,367 1.966,369 3.33,370 1.306,371 2.626,372 1.168,373 3.584,374 2.117,375 1.148,376 1.686,378 2.749,379 1.11,380 2.583,381 1.111,382 3.5,383 2.044,384 1.099,385 1.622,386 2.627,387 1.036,388 2.5,389 1,390 3.462,391 1.984,392 1,393 1.5,394 2.136,395 0.983,396 2.199,397 0.769,398 3.247,399 1.711,400 0.742,401 1.067,402 1.881,403 0.718,404 1.25,405 0.009,406 2.735,407 0.85,408 -0.085,409 -0.109,411 -0.205,412 -0.079,413 0.8,414 -0.417,415 2.423,416 0.392,417 -0.57,418 -0.712,420 -1.346,421 -0.542,422 0.758,423 -0.576,424 2.333,425 0.317,426 -0.627,427 -0.826,429 -1.679,430 -0.593,431 0.637,432 -0.766,433 2.169,434 0.177,435 -0.793,436 -1.093,438 -1.873,439 -0.768,440 11,441 0.478,442 0.521,443 0.023,444 36,445 1.565,446 20.5,447 0.891,448 15.5,449 0.674,450 13.808,451 0.6,452 22.6,453 0.595,454 24.803,455 1.078,456 7.198,457 0.313,458 4.039,459 0.176,460 0.082,462 0.355,466 0.998,467 1.231,468 0.732,469 0.925,470 1.095,471 0.819,472 0.94,473 0.809,474 0.791,475 0.745,476 0.61,477 0.748,478 0.96,479 1.047,480 0.935,481 0.991,482 0.824,483 0.966,484 0.806,485 1.116,486 0.992,487 1.134,488 0.805,489 1.097,490 0.97,491 1.198,492 0.929,493 1.072,494 0.833,495 1.01,496 1.14,497 0.908,498 1.035,499 0.921,500 1.15,501 0.956,502 1.11,503 1.24,504 1.196,505 1.254,506 1.143,507 1.24,508 1.215,509 0.886,510 1.328,511 1.111,512 1.633,513 1.211,514 3.5,516 2.667,517 2.014,518 1.112,519 0.851,520 0.67,521 0.278,522 0.105,523 0.038,524 5189,525 13403,526 2.168,527 39.5,529 9,530 1,531 3,532 2,536 1.666,537 2.06,538 2.959,539 0.278,540 1,541 1,543 1,545 54.15,546 1.425,547 3.412,548 4.379,549 4.807,550 4.86,551 4.86,552 2.366,553 4.35,554 4.497,555 3.055,556 772.983,557 7.79,558 8498.99,559 1,560 1,561 1,562 1,563 199.421,564 1.302,565 4.469,566 0.135,568 0.072,569 0.053,570 0.031,571 0.024,572 0.02,573 0.011,574 0.007,575 0.008,576 0.36,577 0.5,578 1,579 0.503,580 104.283,581 -0.085,582 -0.144,583 0.049,584 -0.014,585 -0.199,586 0.025,587 0.091,588 0.271,589 0.063,590 0.174,591 0.167,592 0.126,593 -0.126,594 -0.039,595 -0.068,596 -0.029,597 -0.083,598 -0.039,599 0.006,600 -0.14,601 -0.094,602 -0.158,603 -0.036,604 -0.143,605 -0.036,606 -0.22,607 0.015,608 -0.103,609 0.045,610 -0.05,611 0.05,612 0.125,613 -0.059,614 0.008,615 -0.01,616 -0.031,617 -0.144,618 -0.273,619 -0.231,620 -0.288,621 -0.044,622 -0.274,623 -0.105,624 0.047,625 -0.246,626 -0.127,627 -0.278,628 -0.19,629 1.397,630 1.852,631 0.913,632 14.994,633 0.998,634 1.12,635 2.124,636 4.51,637 0.706,638 3.296,639 3.638,640 3.97,641 4.304,642 4.575,643 4.654,644 4.804,645 4.89,646 4.868,647 4.86,648 4.825,649 0.677,650 301.38,651 3.296,652 4.844,653 5.72,654 6.621,655 7.521,656 8.432,657 9.341,658 10.256,659 11.17,660 12.087,661 13.2,665 1,669 1,671 3,674 2,675 10,676 3,680 5,681 1,682 22,691 1,699 38,700 22,701 1,702 26,704 41,705 18,706 17,707 2,708 4,710 4,711 5,721 17,722 1,732 1,733 1,736 15,737 4,738 2,739 5,743 5,747 0.75,754 1,755 1,756 1,759 1,760 3,762 1,777 3,781 1,785 23,786 1,808 11.167,809 7.217,810 5,811 2.118,812 4.366,813 1.597,814 1.056,815 3.232,816 11.684,817 3.638,818 4.321,819 5.01,820 5.691,821 6.293,822 6.65,823 7.152,824 7.599,825 7.891,826 8.248,827 1,828 38,829 8.414,831 3.572,832 7.616,833 16.14,835 13.288,837 2.116,838 48.667,842 153.024,843 120.373,844 85.153,849 120.373,850 153.024,851 85.153,852 8.396,854 98.802,855 85.67,856 43.928,857 15.814,858 105.94,860 153.024,861 205.526,865 153.024,869 33.697,870 121.472,871 50.357,873 153.024,874 85.153,875 120.373,878 153.024,879 18.93,880 103.343,882 83.254,883 153.024,884 85.153,885 120.373,887 0.581,888 0.349,889 0.206,890 0.121,891 20,892 8,893 0.049,894 2,895 1,896 1.095,897 3.461,898 198.731,899 0.095,900 21,901 96.042,904 13.77,905 5.398,906 2.326,907 2.295,908 83.254,909 19.525,910 12.759,914 4.108,915 2.097,916 32.897,917 358.55,918 37,926 37.927,927 42.568,928 0.272,929 0.65,930 0.834,931 0.916,932 0.926,933 0.926,934 4.856,935 1.148,936 5.707,937 3.33,938 4.317,939 5.007,941 6.564,942 4.248,943 6.092,944 1.099,945 7.287,946 2.749,947 3.892,948 4.808,950 7.554,951 3.797,952 7.415,953 1,954 8.974,955 2.627,956 5.938,957 7.315,959 10.726,960 5.816,961 8.782,962 0.742,963 10.726,964 2.136,965 6.382,966 8.005,968 12.597,969 6.247,970 10.185,971 -0.085,972 12.521,973 1.881,974 7.886,975 9.941,977 15.281,978 7.727,979 11.615,980 -0.57,981 14.346,982 -0.205,983 8.735,984 11.066,986 17.494,987 8.564,988 13.066,989 -0.627,990 16.193,991 -1.346,992 10.026,993 12.757,995 20.019,996 9.834,997 3.294,998 -0.793,999 18.055,1000 -1.679,1001 11.058,1002 14.094,1004 22.368,1005 10.852,1006 2.94,1007 11.73,1008 19.929,1009 -1.873,1010 12.269,1011 15.682,1013 24.84,1014 12.042,1015 2.4,1016 10.032,1017 21.813,1018 4.656,1019 13.382,1020 17.12,1022 27.245,1023 13.138,1024 2.141,1025 7.493,1026 23.704,1027 4.054,1028 14.566,1029 18.668,1031 29.7,1032 14.301,1033 1.897,1034 6.122,1035 25.601,1036 3.346,1037 15.714,1038 20.153,1040 32.13,1041 15.431,1042 1.73,1043 5.313,1044 27.503,1045 2.898,1046 16.891,1047 21.685,1049 34.581,1050 16.587,1051 1.346,1052 4.459,1053 29.409,1054 2.688,1055 18.055,1056 23.193,1058 37.024,1059 17.732,1060 4918,1061 8014,1062 17.8,1063 26.836,1064 39.953,1065 39.356,1066 40.592,1067 39.525,1068 39.473,1069 55.955,1071 115.746,1072 38.021,1073 5.423,1074 5.306,1075 6.739,1076 5.344,1077 5.294,1078 7.656,1080 19.371,1081 5.225,1082 8.199,1083 1.537,1084 1.514,1085 1.561,1086 1.52,1087 1.518,1088 2.152,1090 4.452,1091 1.462,1092 4.159,1093 4.192,1094 4.127,1095 4.076,1096 5.235,1097 4.084,1098 3.92,1099 3.959,1100 3.877,1101 3.826,1102 4.935,1103 3.833,1104 3.671,1105 3.732,1106 3.621,1107 3.501,1108 4.885,1109 3.522,1110 3.445,1111 3.513,1112 3.332,1113 3.283,1114 4.542,1115 3.289,1116 3.11,1117 3.193,1118 2.99,1119 2.936,1120 4.288,1121 2.935,1122 2.984,1123 3.07,1124 2.865,1125 2.764,1126 3.955,1127 2.787,1128 2.854,1129 2.925,1130 2.687,1131 2.735,1132 3.779,1133 2.715,1134 2.796,1135 2.881,1136 2.577,1137 2.638,1138 3.681,1139 2.609,1140 0.181,1141 0.127,1142 0.267,1143 0.164,1144 0.127,1145 4.709,1146 0.179,1147 3.306,1149 6.937,1150 0.451,1151 4.273,1152 0.124,1153 3.294,1154 4.656,1156 11.73,1157 3.225,1158 1.971,1159 1.949,1160 2.047,1161 2.06,1162 1.187,1163 2.055,1164 1.887,1165 1.855,1166 1.982,1167 2.006,1168 1.067,1169 2.002,1170 1.658,1171 1.608,1172 1.784,1173 1.842,1174 0.857,1175 1.828,1176 1.473,1177 1.403,1178 1.654,1179 1.71,1180 0.639,1181 1.702,1182 1.12,1183 1.06,1184 1.353,1185 1.327,1186 0.396,1187 1.34,1188 0.929,1189 0.844,1190 1.202,1191 1.204,1192 0.218,1193 1.219,1194 0.886,1195 0.821,1196 1.181,1197 1.062,1198 0.188,1199 1.107,1200 0.808,1201 0.737,1202 1.084,1203 0.995,1204 0.089,1205 1.03,1206 3.97,1208 5.303,1209 2.398,1210 6.847,1211 4.844,1212 8.485,1213 7.034,1214 10.173,1216 2.03,1220 5.852,1231 25.741,1232 54.15,1233 129.673,1234 166.402,1235 182.666,1236 184.666,1237 184.666,1238 23.962,1239 7.318,1240 69.62,1241 69.62,1242 23,1243 12.598,1244 4.524,1245 3.585,1246 31.505,1247 64,1248 67,1249 0.239,1250 158.557,1251 255.52,1252 378.638,1253 13982,1255 15.811,1256 0.687,1257 0.55,1258 15.811,1259 12.64,1260 11.237,1261 0.432,1262 0.281,1263 7.223,1264 10.888,1265 7.027,1266 5.859,1267 11.237,1268 7.312,1269 10.133,1270 0.274,1271 0.146,1272 10.133,1273 5.397,1274 8.822,1275 0.17,1276 0.076,1277 8.822,1278 3.951,1279 7.786,1280 0.107,1281 0.039,1282 7.786,1283 2.874,1284 6.678,1285 0.07,1286 0.021,1287 6.678,1288 1.984,1289 0.356,1290 69.734,1291 0.237,1292 21.847,1293 0.723,1294 126,1295 327.893,1296 134.437,1297 331.221,1298 471.17,1299 312,1300 152,1301 365.056,1302 160.826,1303 376.22,1304 550.68,1305 354,1306 5.62} {0 CHEMBL575945,1 1.475,2 7.053,3 2.23,4 4.975,5 72.836,6 8.31,7 0.909,8 3.567,9 3.696,10 3.238,11 3.146,12 4.757,13 3.155,14 4.019,15 4.162,16 3.623,17 3.552,18 5.192,19 3.541,20 4.195,21 4.39,22 3.582,23 3.594,24 5.28,25 3.558,26 4.171,27 4.373,28 3.502,29 3.533,30 5.237,31 3.481,32 4.078,33 4.294,34 3.363,35 3.386,36 5.187,37 3.335,38 4.004,39 4.234,40 3.194,41 3.268,42 5.056,43 3.203,44 3.831,45 4.082,46 2.811,47 3.021,48 4.849,49 2.911,50 3.565,51 3.862,52 2.141,53 2.596,54 4.462,55 2.414,56 0.049,57 0.516,58 5.014,59 2.094,60 7.244,61 2.487,62 0.11,63 0.805,64 8.258,65 3.746,66 11.391,67 4.679,68 0.15,69 0.905,70 11.782,71 4.436,72 15.898,73 5.714,74 0.139,75 0.869,76 11.728,77 4.641,78 13.799,79 6.135,80 0.156,81 0.788,82 11.125,83 4.039,84 18.824,85 5.354,86 0.151,87 0.716,88 10.766,89 3.705,90 16.74,91 4.929,92 0.137,93 0.572,94 9.608,95 3.326,96 15.753,97 4.526,98 0.109,99 0.4,100 8.412,101 2.741,102 14.414,103 3.898,104 2,105 32,106 0.272,107 0.626,108 0.796,109 0.88,110 0.892,111 0.892,112 3.013,113 0.817,114 -2.52,115 -2.54,116 -2.48,119 46.7,133 5,134 2,136 1,137 2,142 1,143 2,151 1,152 1,153 1,154 1,159 5,162 2,163 1,164 2,165 1,166 4,167 1,168 5,171 1,172 3,176 2,178 4,182 2,185 2,187 3,190 2,192 1,194 3,196 1,197 2,199 2,202 1,204 1,206 3,210 1,211 3,213 1,215 1,217 1,221 1,222 3,223 1,224 2,226 1,234 3,237 1,239 2,247 1,252 1,255 380,256 13.223,257 13.223,258 13.223,259 13.223,260 13.223,261 10.947,262 3.162,263 7.735,264 13.487,265 10.897,266 10.897,267 10.897,268 10.897,269 10.897,270 7.497,271 2.5,272 3.673,273 11.335,274 3.432,275 1.509,276 0.587,277 0.133,278 0.067,279 0.067,280 3.714,283 1,284 1,285 303,286 1.871,288 61.756,289 78.231,291 117.646,295 0.909,296 11.793,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 40.5,307 134,308 4.692,309 3.259,310 6.877,311 4.232,312 3.256,313 4.657,315 11.512,316 3.179,317 4.418,318 2.939,319 6.377,320 3.892,321 2.928,322 4.361,324 9.763,325 2.822,326 3.712,327 2.348,328 5.598,329 3.259,330 2.309,331 3.182,333 7.265,334 2.195,335 3.317,336 1.961,337 4.846,338 2.844,339 1.897,340 2.656,342 5.294,343 1.788,344 3.051,345 1.551,346 4.669,347 2.528,348 1.551,349 2.326,351 4.611,352 1.513,353 3.032,354 1.532,355 4.219,356 2.504,357 1.532,358 2.298,360 3.695,361 1.486,362 2.846,363 1.392,364 3.928,365 2.313,366 1.373,367 2.005,369 3.273,370 1.288,371 2.583,372 1.093,373 3.572,374 2.066,375 1.093,376 1.623,378 2.651,379 1.061,380 2.118,381 0.649,382 3.284,383 1.592,384 0.649,385 0.944,386 1.603,387 0.61,388 1.847,389 0.347,390 3.05,391 1.293,392 0.347,393 0.521,394 0.898,395 0.328,396 0.998,397 -0.329,398 2.468,399 0.535,400 -0.41,401 -0.55,402 -1.011,403 -0.386,404 0.672,405 -0.648,406 2.238,407 0.185,408 -0.763,409 -0.956,411 -1.847,412 -0.716,413 0.58,414 -0.838,415 2,416 0.141,417 -0.845,418 -1.256,420 -2.067,421 -0.835,422 0.5,423 -0.978,424 2,425 -0.035,426 -1,427 -1.462,429 -2.466,430 -0.944,431 0.386,432 -1,433 2,434 -0.051,435 -1,436 -1.5,438 -2.905,439 -0.965,440 9,441 0.474,442 0.432,443 0.023,444 29.75,445 1.566,446 16.5,447 0.868,448 13.25,449 0.697,450 10.289,451 0.542,452 18.6,453 0.62,454 18.276,455 0.962,456 5.934,457 0.312,458 3.393,459 0.179,460 0.044,462 0.389,466 1.188,467 1.111,468 0.729,469 0.765,470 1.213,471 0.691,472 0.686,473 1.037,474 0.744,475 0.958,476 0.594,477 0.88,478 1.107,479 1.019,480 0.961,481 0.932,482 0.961,483 0.925,484 0.846,485 1.09,486 0.958,487 1.094,488 0.745,489 1.054,490 1.022,491 1.061,492 1.018,493 1.044,494 1.015,495 1.033,496 1.204,497 1.042,498 1.122,499 1.033,500 1.119,501 1.058,502 1.124,503 0.969,504 1.258,505 1.134,506 1.161,507 1.201,508 1.161,509 0.911,510 1.326,511 1.135,512 1.339,513 1.232,514 3,516 2.222,517 1.576,518 0.791,519 0.48,520 0.238,521 0.175,522 0.037,523 0.016,524 3242,525 8444,526 2.239,527 36.7,529 5,530 1,531 1,532 4,536 1.608,537 2.151,538 2.847,539 1.986,541 1,542 1,543 1,545 44.24,546 1.475,547 3.398,548 4.32,549 4.774,550 4.84,551 4.84,552 2.189,553 3.932,554 4.225,555 2.897,556 495.375,557 7.217,558 4661.96,559 1,560 1,562 1,563 147.207,564 1.211,565 4.203,566 0.136,568 0.069,569 0.053,570 0.029,571 0.021,572 0.013,573 0.015,574 0.007,575 0.016,576 0.359,577 0.5,578 1,579 0.447,580 79.863,581 -0.243,582 -0.004,583 0.012,584 0.118,585 -0.311,586 0.108,587 0.188,588 0.025,589 0.032,590 -0.044,591 0.129,592 -0.034,593 -0.134,594 -0.006,595 -0.065,596 0.005,597 -0.091,598 -0.014,599 0.066,600 -0.114,601 -0.038,602 -0.134,603 0.06,604 -0.109,605 0.008,606 -0.074,607 -0.063,608 -0.102,609 0.026,610 -0.095,611 -0.141,612 -0.066,613 -0.134,614 -0.087,615 -0.13,616 -0.105,617 -0.113,618 -0.043,619 -0.217,620 -0.152,621 -0.08,622 -0.191,623 -0.176,624 -0.069,625 -0.164,626 -0.097,627 -0.137,628 -0.122,629 1.26,630 1.723,631 0.947,632 9.789,633 1.005,634 1.125,635 1.287,636 1.656,637 0.71,638 3.135,639 3.497,640 3.85,641 4.205,642 4.407,643 4.489,644 4.644,645 4.771,646 4.7,647 4.736,648 4.258,649 0.69,650 249.3,651 3.135,652 4.691,653 5.58,654 6.491,655 7.397,656 8.313,657 9.225,658 10.142,659 11.057,660 11.974,661 16.7,665 1,669 2,671 2,674 4,675 7,676 2,677 2,680 3,682 20,691 1,699 30,700 20,701 1,702 22,704 33,705 14,706 14,707 2,708 4,710 4,711 6,721 14,733 1,736 11,737 3,738 4,739 5,742 1,743 5,747 0.5,754 1,756 1,759 2,760 2,762 2,777 2,785 19,786 1,808 8.833,809 5.317,810 4.056,811 1.661,812 4.105,813 1.578,814 1.13,815 2.136,816 11.209,817 3.497,818 4.227,819 4.961,820 5.686,821 6.236,822 6.654,823 7.173,824 7.67,825 7.898,826 8.335,827 0.8,828 30,829 6.95,831 3.039,832 7.64,833 13.292,835 11.245,837 2.14,838 40.667,839 0.001,842 82.398,843 82.323,844 100.039,849 82.323,850 82.398,851 100.039,854 89.326,855 45.342,856 55.177,857 16.059,858 58.856,860 82.398,861 182.362,865 82.398,869 49.418,870 99.373,871 33.571,873 82.398,874 100.039,875 82.323,878 82.398,879 16.847,880 65.476,881 33.571,882 66.468,883 82.398,884 100.039,885 82.323,887 0.586,888 0.357,889 0.215,890 0.115,891 19,892 7,893 0.03,894 1,895 2,896 1.222,897 3.172,898 154.484,899 0.222,900 18,901 80.711,904 10.584,905 3.834,906 1.537,907 3.904,908 66.468,909 13.711,910 8.776,911 6.274,914 2.277,916 66.468,917 264.76,918 32,926 30.16,927 33.737,928 0.301,929 0.693,930 0.88,931 0.973,932 0.986,933 0.986,934 4.718,935 1.093,936 5.572,937 3.273,938 4.174,939 4.913,941 6.441,942 4.1,943 5.97,944 0.649,945 7.157,946 2.651,947 3.761,948 4.808,950 7.434,951 3.663,952 7.308,953 0.347,954 8.846,955 1.603,956 5.808,957 7.296,959 10.602,960 5.673,961 8.691,962 -0.41,963 10.599,964 0.898,965 6.275,966 8.094,968 12.469,969 6.119,970 10.11,971 -0.763,972 12.393,973 -1.011,974 7.77,975 10,977 15.139,978 7.585,979 11.556,980 -0.845,981 14.216,982 -1.847,983 8.633,984 11.207,986 17.34,987 8.428,988 13.022,989 -1,990 16.06,991 -2.067,992 9.915,993 12.88,995 19.849,996 9.685,997 3.256,998 -1,999 17.92,1000 -2.466,1001 10.951,1002 14.267,1004 22.181,1005 10.698,1006 2.928,1007 11.512,1008 19.79,1009 -2.905,1010 12.153,1011 15.848,1013 24.636,1014 11.876,1015 2.309,1016 9.763,1017 21.67,1018 4.657,1019 13.261,1020 17.311,1022 27.023,1023 12.962,1024 1.897,1025 7.265,1026 23.556,1027 4.361,1028 14.435,1029 18.855,1031 29.461,1032 14.113,1033 1.551,1034 5.294,1035 25.447,1036 3.182,1037 15.575,1038 20.351,1040 31.872,1041 15.23,1042 1.532,1043 4.611,1044 27.343,1045 2.656,1046 16.741,1047 21.881,1049 34.306,1050 16.374,1051 1.373,1052 3.695,1053 29.243,1054 2.326,1055 17.895,1056 23.392,1058 36.73,1059 17.505,1060 3031,1061 4989,1062 15.315,1063 21.313,1064 34.141,1065 33.78,1066 34.659,1067 33.862,1068 33.87,1069 49.146,1071 101.131,1072 32.54,1073 5.368,1074 5.259,1075 6.559,1076 5.281,1077 5.256,1078 7.657,1080 19.083,1081 5.179,1082 5.192,1083 1.552,1084 1.535,1085 1.575,1086 1.539,1087 1.54,1088 2.234,1090 4.597,1091 1.479,1092 4.177,1093 4.214,1094 4.148,1095 4.08,1096 5.265,1097 4.092,1098 4,1099 4.047,1100 3.962,1101 3.863,1102 4.987,1103 3.883,1104 3.431,1105 3.496,1106 3.351,1107 3.29,1108 4.79,1109 3.294,1110 3.321,1111 3.399,1112 3.225,1113 3.094,1114 4.315,1115 3.122,1116 2.983,1117 3.042,1118 2.887,1119 2.849,1120 4.265,1121 2.85,1122 2.754,1123 2.891,1124 2.638,1125 2.601,1126 3.865,1127 2.604,1128 2.738,1129 2.813,1130 2.557,1131 2.385,1132 3.673,1133 2.413,1134 2.407,1135 2.485,1136 2.244,1137 2.266,1138 3.191,1139 2.252,1140 0.213,1141 0.148,1142 0.313,1143 0.192,1144 0.148,1145 4.692,1146 0.212,1147 3.259,1149 6.877,1150 0.523,1151 4.232,1152 0.145,1153 3.256,1154 4.657,1156 11.512,1157 3.179,1158 1.961,1159 1.94,1160 2.039,1161 2.043,1162 1.176,1163 2.041,1164 1.839,1165 1.804,1166 1.922,1167 1.972,1168 1.006,1169 1.963,1170 1.487,1171 1.427,1172 1.619,1173 1.754,1174 0.663,1175 1.715,1176 1.338,1177 1.257,1178 1.493,1179 1.608,1180 0.353,1181 1.59,1182 1.018,1183 0.965,1184 1.203,1185 1.179,1186 0.263,1187 1.193,1188 0.853,1189 0.788,1190 1.076,1191 1.106,1192 0.129,1193 1.095,1194 0.763,1195 0.692,1196 1.044,1197 0.971,1198 0.074,1199 1.006,1200 0.555,1201 0.443,1202 0.898,1203 0.919,1205 0.929,1206 3.807,1208 5.153,1209 3.045,1210 6.701,1211 5.416,1212 8.342,1213 7.526,1214 10.033,1220 5.723,1231 20.687,1232 44.24,1233 101.946,1234 129.597,1235 143.207,1236 145.207,1237 145.207,1238 17.843,1239 7.104,1240 83.38,1241 83.38,1242 22,1243 12.485,1244 4.392,1245 3.459,1246 24.244,1247 48,1248 44,1249 0.256,1250 126.042,1251 191.6,1252 299.302,1253 10587,1255 12.82,1256 0.675,1257 0.527,1258 12.82,1259 10.013,1260 9.326,1261 0.424,1262 0.272,1263 5.919,1264 9.03,1265 5.824,1266 4.816,1267 9.326,1268 5.994,1269 8.545,1270 0.267,1271 0.138,1272 8.545,1273 4.426,1274 7.586,1275 0.165,1276 0.071,1277 7.586,1278 3.264,1279 6.973,1280 0.106,1281 0.037,1282 6.973,1283 2.419,1284 5.616,1285 0.069,1286 0.019,1287 5.616,1288 1.568,1289 0.379,1290 57.972,1291 0.256,1292 18.392,1293 0.776,1294 108,1295 279.268,1296 116.742,1297 282.209,1298 405.95,1299 266,1300 132,1301 321.352,1302 141.048,1303 328.04,1304 485.54,1305 311,1306 4.398} {0 CHEMBL593698,1 1.624,2 8.583,3 2.398,4 5.751,5 87.862,6 8.631,7 0.593,8 3.756,9 3.851,10 3.439,11 3.352,12 5.016,13 3.364,14 4.225,15 4.341,16 3.85,17 3.748,18 5.515,19 3.75,20 4.448,21 4.595,22 3.885,23 3.811,24 5.77,25 3.812,26 4.453,27 4.623,28 3.852,29 3.775,30 5.758,31 3.764,32 4.399,33 4.541,34 3.804,35 3.662,36 5.881,37 3.676,38 4.332,39 4.502,40 3.634,41 3.61,42 5.624,43 3.585,44 4.255,45 4.422,46 3.56,47 3.502,48 5.595,49 3.484,50 4.175,51 4.378,52 3.19,53 3.313,54 5.523,55 3.23,56 0.101,57 0.534,58 5.442,59 2.997,60 11.692,61 3.13,62 0.196,63 0.849,64 9.536,65 5.053,66 19.227,67 5.838,68 0.381,69 1.03,70 14.375,71 5.978,72 52.221,73 6.306,74 0.321,75 1.025,76 15.33,77 6.535,78 36.346,79 7.696,80 0.487,81 0.927,82 14.457,83 5.885,84 73.386,85 6.075,86 0.378,87 0.875,88 14.36,89 5.868,90 53.476,91 6.584,92 0.359,93 0.818,94 12.826,95 5.132,96 41.406,97 5.705,98 0.424,99 0.725,100 13.445,101 5.123,102 65.829,103 6.052,104 19,105 40,106 0.286,107 0.68,108 0.793,109 0.886,110 0.896,111 0.896,112 3.23,113 0.822,114 -3.1,115 -3.1,116 -2.98,119 48.6,120 1,133 7,134 3,135 2,143 1,144 1,146 2,147 1,159 7,162 5,164 1,165 1,166 7,168 7,171 1,172 5,176 5,178 6,182 7,185 2,187 3,190 6,194 5,197 2,198 1,199 3,202 7,206 3,209 1,210 1,211 4,213 6,217 1,220 2,222 6,224 5,228 1,229 1,232 1,234 3,237 4,241 1,242 2,247 2,250 3,255 790,256 16.085,257 16.085,258 16.085,259 16.085,260 16.085,261 13.771,262 17.044,263 9.282,264 16.226,265 13.344,266 13.344,267 13.344,268 13.344,269 13.344,270 9.717,271 24.052,272 4.426,273 13.586,274 3.586,275 1.353,276 0.714,277 0.183,278 0.129,279 0.129,280 3.924,283 1,284 1,285 450,286 2.915,288 87.124,289 113.791,291 168.524,295 1.333,296 32.156,297 1,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 52.5,307 206,308 4.751,309 3.753,310 7.041,311 4.34,312 3.355,313 4.653,314 1.907,315 12.073,316 3.308,317 4.436,318 3.534,319 6.553,320 4.011,321 3.023,322 4.113,323 0.6,324 10.301,325 2.985,326 3.89,327 3.214,328 5.808,329 3.521,330 2.548,331 3.351,332 0.149,333 7.849,334 2.474,335 3.643,336 2.63,337 5.389,338 3.227,339 2.236,340 3.01,342 6.95,343 2.211,344 3.396,345 2.545,346 5.175,347 2.968,348 1.972,349 2.638,351 5.714,352 1.958,353 3.244,354 2.218,355 4.84,356 2.797,357 1.794,358 2.478,360 5.095,361 1.788,362 3.095,363 2.037,364 4.625,365 2.626,366 1.673,367 2.276,369 4.539,370 1.579,371 3.01,372 1.621,373 4.389,374 2.507,375 1.531,376 2.205,378 4.315,379 1.49,380 2.778,381 1.351,382 3.685,383 2.294,384 1.301,385 1.881,386 2.951,387 1.29,388 2.394,389 1.292,390 3.555,391 1.828,392 0.803,393 1.21,394 2.003,395 0.817,396 2.063,397 0.745,398 3.309,399 1.505,400 0.537,401 0.798,402 1.403,403 0.518,404 1.324,405 0.574,406 2.783,407 0.959,413 1.044,414 0.255,415 2.587,416 0.609,417 -0.395,418 -0.503,420 -1.012,421 -0.384,422 0.796,423 0.077,424 2.374,425 0.357,426 -0.596,427 -0.8,429 -1.468,430 -0.565,431 0.65,432 -0.165,433 2.248,434 0.187,435 -0.813,436 -1.153,438 -2,439 -0.812,440 11.2,441 0.467,442 0.716,443 0.03,444 35.75,445 1.49,446 20,447 0.833,448 15.75,449 0.656,450 15.428,451 0.643,452 24.2,453 0.654,454 26.418,455 1.101,456 7.151,457 0.298,458 4.391,459 0.183,460 0.134,462 0.446,466 0.79,467 1.04,468 0.686,469 0.816,470 0.674,471 0.735,472 0.526,473 1.171,474 0.635,475 0.978,476 0.534,477 0.866,478 1.16,479 1.018,480 1.006,481 0.91,482 1.093,483 0.906,484 0.846,485 1.046,486 0.84,487 1.03,488 0.785,489 0.949,490 1.294,491 1.031,492 1.035,493 1.025,494 1.35,495 0.984,496 1.118,497 0.955,498 1.033,499 0.98,500 1.184,501 0.992,502 1.126,503 1.103,504 1.103,505 1.094,506 1.067,507 1.092,508 1.017,509 1.011,510 1.3,511 1.147,512 0.998,513 1.262,514 5,515 0.046,516 2.667,517 2.743,518 1.441,519 1.063,520 0.579,521 0.436,522 0.146,523 0.121,524 5867,525 18201,526 2.11,527 35.1,529 7,532 3,533 3,536 1.674,537 1.946,538 3.11,539 0.998,540 1,541 1,543 1,545 60.076,546 1.624,547 3.857,548 4.496,549 5.027,550 5.081,551 5.081,552 2.519,553 4.054,554 4.555,555 3.236,556 893.266,557 7.89,558 10027.9,559 1,560 1,562 1,563 192.75,564 1.483,565 4.504,566 0.185,567 0.008,568 0.067,569 0.069,570 0.038,571 0.03,572 0.019,573 0.016,574 0.009,575 0.01,576 0.45,577 0.5,578 1,579 1.004,580 111.404,581 -0.125,582 0.028,583 -0.005,584 0.103,585 -0.116,586 0.087,587 0.127,588 -0.134,589 0.114,590 -0.041,591 0.051,592 0.009,593 -0.175,594 0.024,595 -0.126,596 0.016,597 -0.138,598 -0.024,599 0.023,600 -0.049,601 0.092,602 -0.07,603 0.045,604 0.008,605 -0.028,606 -0.046,607 -0.083,608 -0.081,609 -0.041,610 -0.093,611 -0.084,612 0.01,613 -0.058,614 -0.007,615 -0.118,616 -0.027,617 -0.056,618 -0.105,619 -0.137,620 -0.147,621 -0.069,622 -0.16,623 0.036,624 -0.076,625 -0.234,626 -0.156,627 0.061,628 -0.236,629 1.897,630 5.628,631 0.75,632 18.076,633 1.019,634 1.113,635 1.874,636 3.511,637 0.708,638 3.332,639 3.714,640 4.043,641 4.407,642 4.644,643 4.787,644 5.004,645 5.147,646 5.136,647 5.187,648 5.24,649 0.698,650 319.34,651 3.332,652 4.905,653 5.79,654 6.711,655 7.619,656 8.547,657 9.467,658 10.398,659 11.324,660 12.257,661 8.1,668 1,669 1,670 1,674 2,675 7,677 1,680 5,682 16,684 1,686 1,696 1,699 37,700 19,701 2,702 27,704 40,705 18,706 14,707 5,708 7,709 2,710 4,711 6,715 1,721 17,722 1,724 3,728 2,730 1,731 3,732 1,733 1,736 13,737 5,738 3,739 6,743 3,747 0.5,748 3,756 1,759 2,760 2,762 2,766 1,777 2,781 1,785 24,788 1,790 1,801 8.1,803 1,804 2,808 12.333,809 7.067,810 5.111,811 2.115,812 3.817,813 1.502,814 1.022,815 3.253,816 11.414,817 3.664,818 4.341,819 5.006,820 5.699,821 6.271,822 6.678,823 7.198,824 7.667,825 7.921,826 8.298,827 0.833,828 40,829 8.885,831 3.989,832 8.028,833 16.409,835 13.79,837 2.528,838 60.667,842 117.711,843 104.356,844 51.582,846 92.973,849 104.356,850 210.684,851 51.582,852 8.825,853 18.011,854 66.334,855 105.568,856 48.029,857 2.144,858 117.711,860 117.711,861 155.937,862 92.973,865 117.711,866 92.973,869 60.407,870 95.53,873 117.711,874 144.555,875 104.356,878 117.711,879 29.197,880 75.159,881 34.796,882 109.759,883 117.711,884 144.555,885 104.356,887 0.593,888 0.347,889 0.204,890 0.113,891 22,892 10,893 0.05,894 2,895 2,896 1.222,897 3.513,898 211.165,899 0.222,900 18,901 110.039,904 14.669,905 5.323,906 2.339,907 1.279,908 127.769,909 12.216,911 2.842,914 1.908,916 77.48,917 366.622,918 38,922 23.878,924 4.376,925 -0.232,926 37.705,927 41.199,928 0.312,929 0.74,930 0.863,931 0.965,932 0.975,933 0.975,934 4.92,935 1.531,936 5.808,937 4.539,938 4.394,939 5.027,940 2.05,941 6.693,942 4.36,943 6.174,944 1.301,945 7.41,946 4.315,947 4.111,948 4.977,949 1.593,950 7.719,951 4.071,952 7.516,953 0.803,954 9.113,955 2.951,956 6.052,957 7.327,958 2.918,959 10.886,960 5.986,961 8.896,962 0.537,963 10.875,964 2.003,965 6.581,966 8.103,967 3.032,968 12.773,969 6.509,970 10.308,972 12.676,973 1.403,974 8.035,975 9.952,976 4.039,977 15.471,978 7.942,979 11.746,980 -0.395,981 14.506,983 8.936,984 11.126,985 4.409,986 17.709,987 8.835,988 13.205,989 -0.596,990 16.356,991 -1.012,992 10.211,993 12.774,994 5.251,995 20.253,996 10.093,997 3.355,998 -0.813,999 18.224,1000 -1.468,1001 11.277,1002 14.137,1003 5.75,1004 22.632,1005 11.149,1006 3.023,1007 12.073,1008 20.105,1009 -2,1010 12.489,1011 15.703,1012 6.501,1013 25.126,1014 12.346,1015 2.548,1016 10.301,1017 21.996,1018 4.653,1019 13.626,1020 17.152,1021 7.068,1022 27.562,1023 13.471,1024 2.236,1025 7.849,1026 23.896,1027 4.113,1028 14.819,1029 18.689,1030 7.771,1031 30.043,1032 14.65,1033 1.972,1034 6.95,1035 25.804,1036 3.351,1037 15.987,1038 20.178,1039 8.374,1040 32.503,1041 15.805,1042 1.794,1043 5.714,1044 27.717,1045 3.01,1046 17.177,1047 21.704,1048 9.051,1049 34.982,1050 16.981,1051 1.673,1052 5.095,1053 29.634,1054 2.638,1055 18.359,1056 23.213,1057 9.674,1058 37.454,1059 18.15,1060 5640,1061 10030,1062 17.918,1063 26.188,1064 42.438,1065 43.524,1066 43.554,1067 41.572,1068 41.543,1069 57.229,1070 5.312,1071 126.389,1072 40.837,1073 5.595,1074 5.753,1075 6.722,1076 5.379,1077 5.355,1078 7.653,1079 3.306,1080 19.776,1081 5.308,1082 12.134,1083 1.572,1084 1.612,1085 1.613,1086 1.54,1087 1.539,1088 2.12,1089 0.197,1090 4.681,1091 1.512,1092 4.158,1093 4.184,1094 4.133,1095 4.07,1096 7.431,1097 4.082,1098 3.952,1099 3.977,1100 3.915,1101 3.877,1102 7.427,1103 3.882,1104 3.619,1105 3.665,1106 3.551,1107 3.424,1108 6.473,1109 3.446,1110 3.408,1111 3.441,1112 3.334,1113 3.252,1114 4.919,1115 3.267,1116 3.271,1117 3.315,1118 3.188,1119 3.078,1120 4.78,1121 3.098,1122 2.936,1123 2.989,1124 2.837,1125 2.804,1126 4.321,1127 2.801,1128 2.879,1129 2.941,1130 2.761,1131 2.753,1132 4.18,1133 2.746,1134 2.692,1135 2.776,1136 2.531,1137 2.387,1138 3.806,1139 2.411,1140 0.176,1141 0.139,1142 0.261,1143 0.161,1144 0.124,1145 4.751,1146 0.172,1147 3.753,1148 0.071,1149 7.041,1150 0.447,1151 4.34,1152 0.123,1153 3.355,1154 4.653,1155 1.907,1156 12.073,1157 3.308,1158 1.942,1159 1.921,1160 2.018,1161 2.034,1162 1.169,1163 2.03,1164 1.868,1165 1.846,1166 1.973,1167 1.945,1168 1.062,1169 1.955,1170 1.578,1171 1.555,1172 1.707,1173 1.775,1174 0.732,1175 1.732,1176 1.459,1177 1.407,1178 1.628,1179 1.716,1180 0.704,1181 1.706,1182 1.178,1183 1.144,1184 1.313,1185 1.432,1186 0.341,1187 1.396,1188 0.969,1189 0.928,1190 1.152,1191 1.163,1192 0.237,1193 1.157,1194 0.879,1195 0.83,1196 1.073,1197 1.065,1198 0.143,1199 1.063,1200 0.779,1201 0.712,1202 1.062,1203 1.019,1204 0.099,1205 1.047,1206 4.007,1208 5.371,1209 3.045,1210 6.923,1211 5.533,1212 8.565,1213 7.727,1214 10.259,1216 1.418,1221 10.288,1223 2.693,1231 25.843,1232 60.076,1233 142.692,1234 166.343,1235 185.995,1236 187.995,1237 187.995,1238 44.121,1239 7.597,1240 95.08,1241 95.08,1242 22,1243 12.759,1244 4.322,1245 3.585,1246 33.67,1247 73,1248 79,1249 0.228,1250 156.957,1251 270.79,1252 374.734,1253 19190,1255 16.845,1256 0.702,1257 0.531,1258 16.845,1259 12.752,1260 11.542,1261 0.427,1262 0.274,1263 7.303,1264 11.143,1265 7.133,1266 5.892,1267 11.542,1268 7.394,1269 10.99,1270 0.275,1271 0.14,1272 10.99,1273 5.597,1274 9.175,1275 0.164,1276 0.07,1277 9.175,1278 3.932,1279 8.411,1280 0.104,1281 0.036,1282 8.411,1283 2.93,1284 6.838,1285 0.066,1286 0.019,1287 6.838,1288 1.947,1289 0.344,1290 72.207,1291 0.236,1292 22.823,1293 0.669,1294 134,1295 417.932,1296 146.694,1297 407.007,1298 556.34,1299 378,1300 163,1301 413.627,1302 175.031,1303 419.333,1304 619.74,1305 396,1306 5.602} {0 CHEMBL593970,1 1.71,2 7.87,3 3.172,4 10.062,5 82.105,6 9.603,7 0.615,8 3.65,9 3.725,10 3.415,11 3.246,12 5.012,13 3.278,14 4.101,15 4.178,16 3.827,17 3.66,18 5.591,19 3.687,20 4.322,21 4.449,22 3.885,23 3.714,24 5.739,25 3.743,26 4.363,27 4.503,28 3.82,29 3.633,30 5.813,31 3.666,32 4.231,33 4.35,34 3.752,35 3.451,36 5.833,37 3.524,38 4.103,39 4.217,40 3.623,41 3.371,42 5.639,43 3.422,44 4.059,45 4.18,46 3.494,47 3.238,48 5.799,49 3.279,50 3.889,51 4.065,52 3.022,53 2.973,54 5.539,55 2.939,56 0.209,57 0.471,58 3.303,59 2.434,60 20.031,61 2.137,62 0.319,63 0.731,64 5.038,65 4.097,66 53.769,67 3.831,68 0.425,69 0.903,70 9.339,71 5.176,72 53.849,73 4.973,74 0.561,75 0.913,76 11.452,77 5.476,78 83.025,79 5.068,80 0.614,81 0.773,82 10.144,83 4.567,84 100.462,85 3.752,86 0.494,87 0.685,88 8.141,89 4.068,90 68.465,91 3.499,92 0.624,93 0.638,94 8.289,95 3.793,96 94.564,97 3.197,98 0.521,99 0.507,100 9.466,101 3.89,102 103.128,103 4.109,104 18,105 39,106 0.308,107 0.657,108 0.767,109 0.878,110 0.889,111 0.889,112 3.19,113 0.782,114 -3.63,115 -3.6,116 -3.43,119 50,133 7,134 3,135 2,143 1,144 1,146 2,155 2,159 7,161 1,162 6,165 1,166 4,168 7,171 1,172 11,176 3,178 6,182 10,185 2,187 2,190 4,194 5,197 3,199 3,202 5,205 1,206 2,209 3,211 4,213 5,216 3,217 2,220 2,222 4,224 5,228 2,229 4,237 4,242 6,250 2,255 680,256 15.43,257 15.43,258 15.43,259 15.43,260 15.43,261 13.019,262 15.158,263 8.771,264 15.607,265 12.812,266 12.812,267 12.812,268 12.812,269 12.812,270 9.064,271 19.436,272 4.137,273 13.098,274 3.29,275 1.353,276 0.739,277 0.125,278 0.063,279 0.063,280 3.883,283 1,284 1,285 397,286 2.739,288 80.808,289 106.355,291 157.153,295 1.191,296 38.206,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 51.5,307 181,308 4.755,309 3.787,310 7.042,311 4.342,312 3.356,313 4.664,314 2.612,315 12.077,316 3.309,317 4.449,318 3.747,319 6.557,320 4.02,321 3.032,322 4.123,323 0.6,324 10.312,325 2.993,326 4.149,327 3.199,328 5.959,329 3.633,330 2.667,331 3.787,333 8.296,334 2.574,335 3.691,336 2.627,337 5.697,338 3.22,339 2.236,340 3.14,342 7.371,343 2.198,344 3.357,345 2.398,346 5.198,347 2.897,348 1.916,349 2.655,351 5.726,352 1.877,353 3.173,354 2.153,355 4.844,356 2.674,357 1.721,358 2.409,360 5.077,361 1.624,362 3.027,363 1.805,364 4.624,365 2.512,366 1.535,367 2.211,369 4.443,370 1.496,371 2.881,372 1.619,373 3.793,374 2.294,375 1.301,376 1.989,378 2.951,379 1.291,380 2.778,381 1.351,382 3.684,383 2.206,384 1.215,385 1.878,386 2.888,387 1.202,388 2.392,389 1.292,390 3.555,391 1.821,392 0.795,393 1.204,394 1.985,395 0.809,396 2.03,397 1,398 3.305,399 1.456,400 0.488,401 0.736,402 1.316,403 0.471,404 1.172,405 0.64,406 2.702,407 0.762,408 -0.202,409 -0.258,411 -0.51,412 -0.19,413 1,414 0.23,415 2.417,416 0.453,417 -0.549,418 -0.78,420 -1.346,421 -0.543,422 0.945,423 -0.002,424 2.259,425 0.187,426 -0.807,427 -1.123,429 -2,430 -0.768,431 0.654,432 -0.542,433 2.23,434 0.123,435 -0.837,436 -1.158,438 -2.028,439 -0.822,440 10.533,441 0.458,442 0.699,443 0.03,444 36.25,445 1.576,446 21,447 0.913,448 15.25,449 0.663,450 13.064,451 0.568,452 23.067,453 0.721,454 26.694,455 1.161,456 7.21,457 0.313,458 3.848,459 0.167,460 0.127,462 0.465,466 0.564,467 0.884,468 0.588,469 0.7,470 0.608,471 0.666,472 0.485,473 1.142,474 0.615,475 0.991,476 0.459,477 0.899,478 0.813,479 1.117,480 0.834,481 1.043,482 0.688,483 0.964,484 1.08,485 1.044,486 1.037,487 1.049,488 1.047,489 1.028,490 1.302,491 0.992,492 1.018,493 0.957,494 1.293,495 0.897,496 1.144,497 0.973,498 1.041,499 1.028,500 1.266,501 1.017,502 1.072,503 0.975,504 1.23,505 1.043,506 1.075,507 1.153,508 0.978,509 0.937,510 1.305,511 1.129,512 1.003,513 1.29,514 4.5,515 0.04,516 3.111,517 2.618,518 1.401,519 1.101,520 0.61,521 0.292,522 0.177,523 0.062,524 5132,525 18585,526 2.115,527 28.1,529 7,532 2,536 1.664,537 1.944,538 3.007,539 0.364,541 1,543 1,545 54.716,546 1.71,547 3.647,548 4.261,549 4.875,550 4.938,551 4.938,552 2.442,553 4.263,554 4.497,555 3.121,556 789.672,557 7.775,558 8544.23,559 1,560 1,561 1,562 1,563 160,564 1.491,565 4.44,566 0.173,567 0.01,568 0.08,569 0.065,570 0.039,571 0.033,572 0.021,573 0.012,574 0.013,575 0.008,576 0.454,577 0.5,578 1,579 0.832,580 104.443,581 0.069,582 0.169,583 0.001,584 0.189,585 -0.069,586 0.1,587 0.14,588 -0.14,589 0.014,590 -0.079,591 0.131,592 -0.087,593 -0.059,594 -0.114,595 0.014,596 -0.104,597 0.004,598 -0.036,599 -0.142,600 -0.061,601 -0.066,602 -0.089,603 -0.112,604 -0.059,605 -0.135,606 -0.009,607 -0.042,608 -0.01,609 -0.129,610 0.008,611 -0.066,612 0.011,613 -0.114,614 -0.085,615 -0.17,616 -0.12,617 0.125,618 0.006,619 -0.231,620 -0.095,621 0.101,622 -0.241,623 0.121,624 -0.079,625 -0.058,626 -0.062,627 0.174,628 -0.109,629 2.527,630 5.52,631 0.783,632 15.595,633 1.04,634 1.112,635 2.4,636 5.759,637 0.722,638 3.296,639 3.689,640 4.043,641 4.382,642 4.635,643 4.787,644 4.984,645 5.1,646 5.088,647 5.136,648 4.913,649 0.734,650 307.28,651 3.296,652 4.875,653 5.771,654 6.693,655 7.611,656 8.54,657 9.466,658 10.398,659 11.328,660 12.261,661 9.4,669 1,670 1,672 1,674 2,675 7,677 1,680 5,682 16,684 1,686 1,694 1,696 1,699 32,700 20,701 2,702 26,704 35,705 16,706 14,707 5,708 7,709 2,710 4,711 6,721 16,724 4,726 1,728 3,730 1,731 2,732 1,733 1,736 9,737 5,738 2,739 7,743 3,747 0.5,748 4,756 1,759 2,760 2,762 2,777 2,785 23,788 1,801 12.5,803 1,804 1,807 2,808 11.833,809 5.933,810 4.889,811 1.815,812 3.902,813 1.52,814 1.02,815 2.832,816 11.414,817 3.664,818 4.366,819 5.046,820 5.714,821 6.303,822 6.746,823 7.267,824 7.701,825 7.977,826 8.356,827 1,828 40,829 8.519,831 3.931,832 8.261,833 15.38,835 13.052,837 2.761,838 63.5,842 82.398,843 90.826,844 39.241,846 118.575,849 90.826,850 200.973,851 39.241,852 5.67,854 66.334,855 75.718,856 48.029,857 2.144,858 82.398,859 50.747,860 82.398,861 130.067,862 118.575,865 82.398,866 67.828,867 50.747,869 33.571,870 90.826,871 5.67,873 82.398,874 157.816,875 90.826,878 82.398,879 24.492,880 72.004,881 16.786,882 135.361,883 82.398,884 157.816,885 90.826,887 0.6,888 0.365,889 0.204,890 0.114,891 22,892 10,893 0.057,894 2,895 2,896 1.222,897 3.399,898 201.916,899 0.222,900 18,901 102.042,904 13.673,905 4.763,906 1.962,907 0.881,908 135.361,909 10.989,911 2.717,914 0.792,916 59.469,917 331.04,918 38,920 -0.527,922 34.445,924 4.278,925 -0.237,926 33.265,927 35.578,928 0.342,929 0.729,930 0.852,931 0.975,932 0.988,933 0.988,934 4.92,935 1.301,936 5.796,937 4.443,938 4.369,939 5.053,940 2.559,941 6.696,942 4.329,943 6.186,944 1.215,945 7.413,946 2.951,947 4.111,948 5.056,949 2.361,950 7.753,951 4.052,952 7.54,953 0.795,954 9.13,955 2.888,956 6.047,957 7.39,958 4.159,959 10.914,960 5.972,961 8.932,962 0.488,963 10.904,964 1.985,965 6.608,966 8.214,967 4.506,968 12.81,969 6.52,970 10.356,971 -0.202,972 12.715,973 1.316,974 8.054,975 10.04,976 5.948,977 15.5,978 7.951,979 11.804,980 -0.549,981 14.551,982 -0.51,983 8.972,984 11.236,985 6.556,986 17.736,987 8.858,988 13.271,989 -0.807,990 16.405,991 -1.346,992 10.241,993 12.867,994 7.794,995 20.275,996 10.114,997 3.356,998 -0.837,999 18.275,1000 -2,1001 11.314,1002 14.235,1003 8.548,1004 22.65,1005 11.174,1006 3.032,1007 12.077,1008 20.155,1009 -2.028,1010 12.522,1011 15.791,1012 9.67,1013 25.141,1014 12.37,1015 2.667,1016 10.312,1017 22.045,1018 4.664,1019 13.66,1020 17.239,1021 10.509,1022 27.574,1023 13.495,1024 2.236,1025 8.296,1026 23.943,1027 4.123,1028 14.85,1029 18.767,1030 11.563,1031 30.053,1032 14.673,1033 1.916,1034 7.371,1035 25.848,1036 3.787,1037 16.017,1038 20.253,1039 12.452,1040 32.512,1041 15.827,1042 1.721,1043 5.726,1044 27.757,1045 3.14,1046 17.205,1047 21.775,1048 13.468,1049 34.99,1050 17.003,1051 1.535,1052 5.077,1053 29.672,1054 2.655,1055 18.386,1056 23.28,1057 14.386,1058 37.461,1059 18.171,1060 4922,1061 9479,1062 17.224,1063 23.119,1064 41.208,1065 42.965,1066 42.514,1067 40.571,1068 40.525,1069 57.59,1070 6.425,1071 124.885,1072 39.69,1073 5.599,1074 5.787,1075 6.723,1076 5.38,1077 5.356,1078 7.664,1079 4.612,1080 19.78,1081 5.309,1082 11.597,1083 1.585,1084 1.653,1085 1.635,1086 1.56,1087 1.559,1088 2.215,1089 0.247,1090 4.803,1091 1.527,1092 4.171,1093 4.196,1094 4.148,1095 4.073,1096 7.815,1097 4.087,1098 3.962,1099 3.985,1100 3.928,1101 3.879,1102 7.428,1103 3.885,1104 3.7,1105 3.727,1106 3.686,1107 3.418,1108 6.999,1109 3.459,1110 3.372,1111 3.4,1112 3.318,1113 3.161,1114 6.473,1115 3.204,1116 3.153,1117 3.182,1118 3.085,1119 2.877,1120 4.904,1121 2.916,1122 2.909,1123 2.96,1124 2.816,1125 2.757,1126 4.768,1127 2.755,1128 2.856,1129 2.916,1130 2.74,1131 2.616,1132 4.289,1133 2.679,1134 2.529,1135 2.565,1136 2.399,1137 2.314,1138 4.043,1139 2.315,1140 0.183,1141 0.146,1142 0.271,1143 0.167,1144 0.129,1145 4.755,1146 0.179,1147 3.787,1148 0.1,1149 7.042,1150 0.464,1151 4.342,1152 0.127,1153 3.356,1154 4.664,1155 2.612,1156 12.077,1157 3.309,1158 1.956,1159 1.936,1160 2.023,1161 2.099,1162 1.168,1163 2.064,1164 1.868,1165 1.846,1166 1.973,1167 1.945,1168 1.062,1169 1.955,1170 1.578,1171 1.556,1172 1.628,1173 1.779,1174 0.715,1175 1.731,1176 1.3,1177 1.263,1178 1.362,1179 1.715,1180 0.341,1181 1.607,1182 1.086,1183 1.076,1184 1.184,1185 1.377,1186 0.234,1187 1.316,1188 0.89,1189 0.845,1190 1.09,1191 1.091,1192 0.143,1193 1.087,1194 0.833,1195 0.774,1196 1.063,1197 1.032,1198 0.094,1199 1.055,1200 0.715,1201 0.656,1202 0.929,1203 0.921,1205 0.949,1206 3.97,1208 5.342,1209 3.045,1210 6.909,1211 5.533,1212 8.563,1213 7.727,1214 10.264,1221 10.163,1231 23.504,1232 54.716,1233 116.697,1234 136.349,1235 156,1236 158,1237 158,1238 47.274,1239 7.512,1240 111.8,1241 111.8,1242 22,1243 12.761,1244 4.392,1245 3.7,1246 31.633,1247 66,1248 64,1249 0.239,1250 141.768,1251 244.98,1252 337.674,1253 17043,1255 16.137,1256 0.702,1257 0.505,1258 16.137,1259 11.608,1260 11.059,1261 0.425,1262 0.261,1263 6.675,1264 10.559,1265 6.591,1266 5.409,1267 11.059,1268 6.779,1269 10.498,1270 0.269,1271 0.132,1272 10.498,1273 5.142,1274 9.245,1275 0.165,1276 0.068,1277 9.245,1278 3.806,1279 8.078,1280 0.102,1281 0.035,1282 8.078,1283 2.75,1284 6.664,1285 0.065,1286 0.018,1287 6.664,1288 1.852,1289 0.357,1290 70.221,1291 0.241,1292 21.835,1293 0.713,1294 130,1295 458.979,1296 144.602,1297 441.622,1298 593.44,1299 406,1300 160,1301 443.102,1302 174.856,1303 442.153,1304 651.69,1305 416,1306 5} {0 CHEMBL594192,1 1.6,2 7.19,3 2.531,4 6.406,5 79.481,6 8.666,7 0.667,8 3.626,9 3.725,10 3.314,11 3.242,12 4.895,13 3.252,14 4.073,15 4.178,16 3.729,17 3.655,18 5.338,19 3.653,20 4.301,21 4.449,22 3.777,23 3.707,24 5.613,25 3.7,26 4.325,27 4.503,28 3.693,29 3.622,30 5.618,31 3.606,32 4.198,33 4.35,34 3.622,35 3.44,36 5.708,37 3.462,38 4.062,39 4.217,40 3.386,41 3.357,42 5.458,43 3.338,44 3.999,45 4.179,46 3.177,47 3.223,48 5.36,49 3.181,50 3.819,51 4.064,52 2.485,53 2.951,54 4.839,55 2.785,56 0.088,57 0.47,58 4.761,59 2.481,60 13.361,61 2.531,62 0.112,63 0.73,64 7.46,65 4.235,66 12.973,67 4.797,68 0.224,69 0.902,70 11.651,71 5.281,72 31.677,73 5.902,74 0.273,75 0.911,76 13.67,77 5.657,78 35.265,79 6.643,80 0.401,81 0.772,82 12.109,83 4.689,84 63.339,85 4.858,86 0.288,87 0.684,88 10.097,89 4.169,90 47.602,91 4.3,92 0.287,93 0.636,94 10.293,95 3.928,96 44.571,97 4.148,98 0.21,99 0.505,100 10.382,101 4.039,102 33.949,103 5.044,104 10,105 36,106 0.291,107 0.648,108 0.776,109 0.888,110 0.899,111 0.899,112 3.106,113 0.81,114 -3.06,115 -3.06,116 -2.95,119 50,133 7,134 3,135 2,143 1,144 1,146 2,152 1,153 1,154 1,159 7,162 4,165 1,166 6,168 7,170 2,171 1,172 5,176 5,178 6,180 2,182 5,185 2,187 3,190 4,192 1,194 3,197 2,198 1,199 3,201 1,202 5,206 2,208 1,209 1,210 1,211 4,212 1,213 5,217 1,219 1,220 1,222 5,224 5,226 1,234 2,237 4,239 2,247 2,250 2,252 2,255 506,256 14.223,257 14.223,258 14.223,259 14.223,260 14.223,261 12.064,262 13.367,263 8.129,264 14.363,265 11.844,266 11.844,267 11.844,268 11.844,269 11.844,270 8.494,271 16.793,272 3.864,273 12.089,274 3.4,275 1.439,276 0.739,277 0.125,278 0.063,279 0.063,280 3.801,283 1,284 1,285 336,286 2.121,288 69.605,289 93.211,291 136.945,295 0.998,296 26.297,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 45.5,307 151,308 4.75,309 3.752,310 7.04,311 4.339,312 3.353,313 4.651,314 0.6,315 12.071,316 3.307,317 4.434,318 3.217,319 6.552,320 4.007,321 3.019,322 4.112,324 10.294,325 2.981,326 3.813,327 2.629,328 5.791,329 3.392,330 2.413,331 3.302,333 7.714,334 2.36,335 3.544,336 2.525,337 5.233,338 3.099,339 2.121,340 2.93,342 6.118,343 2.071,344 3.275,345 2.205,346 4.971,347 2.839,348 1.851,349 2.544,351 5.533,352 1.823,353 3.107,354 2.008,355 4.795,356 2.637,357 1.693,358 2.304,360 4.939,361 1.586,362 3.012,363 1.621,364 4.604,365 2.508,366 1.531,367 2.207,369 4.4,370 1.491,371 2.778,372 1.351,373 3.685,374 2.294,375 1.301,376 1.881,378 2.951,379 1.29,380 2.394,381 1.292,382 3.555,383 1.827,384 0.803,385 1.21,386 2.001,387 0.816,388 2.058,389 0.656,390 3.308,391 1.496,392 0.53,393 0.791,394 1.385,395 0.511,396 1.232,397 0.266,398 2.72,399 0.858,400 -0.092,401 -0.114,402 -0.228,403 -0.086,404 0.987,405 0.037,406 2.437,407 0.519,408 -0.501,409 -0.7,411 -1.222,412 -0.504,413 0.662,414 -0.396,415 2.279,416 0.222,417 -0.69,418 -0.857,420 -1.684,421 -0.621,422 0.63,423 -0.747,424 2.241,425 0.187,426 -0.814,427 -1.154,429 -2.032,430 -0.815,431 0.526,432 -0.839,433 2,434 0.07,435 -0.914,436 -1.333,438 -2.764,439 -0.903,440 9.867,441 0.47,442 0.61,443 0.029,444 32.25,445 1.536,446 18.5,447 0.881,448 13.75,449 0.655,450 12.211,451 0.581,452 20.733,453 0.648,454 22.294,455 1.062,456 6.406,457 0.305,458 3.742,459 0.178,460 0.108,462 0.456,466 0.908,467 0.886,468 0.71,469 0.686,470 0.841,471 0.648,472 0.556,473 1.143,474 0.65,475 0.975,476 0.561,477 0.865,478 0.945,479 1.117,480 0.895,481 1.037,482 0.913,483 0.966,484 0.959,485 1.044,486 0.897,487 1.04,488 0.951,489 0.97,490 1.408,491 0.992,492 0.973,493 0.956,494 1.474,495 0.894,496 1.396,497 0.973,498 1.215,499 1.038,500 1.452,501 1.086,502 1.464,503 0.976,504 1.346,505 1.035,506 1.319,507 1.138,508 1.035,509 0.936,510 1.399,511 1.136,512 1.108,513 1.317,514 4,516 2.667,517 2.493,518 1.321,519 0.945,520 0.376,521 0.229,522 0.066,523 0.031,524 4058,525 11747,526 2.155,527 34.4,529 7,532 4,536 1.638,537 2,538 2.891,539 1.874,541 1,543 1,545 51.191,546 1.6,547 3.561,548 4.261,549 4.875,550 4.938,551 4.938,552 2.218,553 4.202,554 4.367,555 2.98,556 625.736,557 7.513,558 6318.7,559 1,560 1,562 1,563 160,564 1.449,565 4.318,566 0.167,568 0.074,569 0.069,570 0.041,571 0.033,572 0.016,573 0.013,574 0.008,575 0.008,576 0.429,577 0.5,578 1,579 0.61,580 91.682,581 -0.182,582 0.167,583 -0.027,584 0.201,585 -0.192,586 0.146,587 0.077,588 -0.141,589 0.058,590 -0.063,591 0.014,592 -0.024,593 -0.038,594 -0.114,595 -0.031,596 -0.11,597 -0.036,598 -0.075,599 0.03,600 -0.061,601 0.074,602 -0.084,603 0.023,604 -0.012,605 0.062,606 -0.008,607 0.025,608 -0.018,609 0.062,610 -0.006,611 -0.153,612 0.011,613 -0.266,614 -0.097,615 -0.112,616 -0.188,617 -0.228,618 0.005,619 -0.334,620 -0.08,621 -0.12,622 -0.196,623 -0.157,624 -0.079,625 -0.248,626 -0.067,627 -0.166,628 -0.162,629 1.857,630 5.489,631 0.857,632 12.766,633 1.015,634 1.112,635 1.833,636 3.359,637 0.718,638 3.219,639 3.611,640 3.97,641 4.331,642 4.575,643 4.682,644 4.852,645 4.97,646 4.927,647 4.942,648 4.512,649 0.706,650 277.3,651 3.219,652 4.796,653 5.694,654 6.619,655 7.537,656 8.468,657 9.394,658 10.327,659 11.257,660 12.19,661 9.4,665 1,669 1,670 1,674 2,675 7,677 1,680 5,682 16,684 1,686 1,691 1,696 1,699 32,700 18,701 2,702 24,704 35,705 16,706 14,707 5,708 7,709 2,710 4,711 6,721 16,724 2,728 1,730 1,731 2,732 1,733 1,736 11,737 4,738 4,739 5,743 3,747 0.5,748 2,756 1,759 2,760 2,762 2,777 2,785 21,786 1,788 1,801 6.3,803 1,804 1,808 10.5,809 5.733,810 4.444,811 1.782,812 3.745,813 1.512,814 1.058,815 2.437,816 11.061,817 3.555,818 4.259,819 4.965,820 5.653,821 6.226,822 6.601,823 7.081,824 7.533,825 7.766,826 8.126,827 0.8,828 36,829 7.761,831 3.529,832 7.952,833 14.417,835 12.357,837 2.452,838 51.5,842 82.398,843 90.826,844 66.468,846 67.828,849 90.826,850 150.226,851 66.468,854 99.231,855 75.718,856 48.029,857 2.144,858 82.398,860 82.398,861 157.294,862 67.828,865 82.398,866 67.828,869 33.571,870 123.723,873 82.398,874 134.297,875 90.826,878 82.398,879 24.492,880 66.334,881 16.786,882 117.511,883 82.398,884 134.297,885 90.826,887 0.598,888 0.365,889 0.214,890 0.121,891 21,892 9,893 0.029,894 1,895 2,896 1.222,897 3.258,898 179.342,899 0.222,900 18,901 90.239,904 12.179,905 4.203,906 1.695,907 1.399,908 117.511,909 12.346,911 2.845,914 2.056,916 92.366,917 307.52,918 34,922 12.489,924 4.362,925 0.051,926 32.494,927 35.575,928 0.32,929 0.712,930 0.852,931 0.975,932 0.988,933 0.988,934 4.812,935 1.301,936 5.714,937 4.4,938 4.29,939 4.945,940 0.542,941 6.613,942 4.252,943 6.073,944 0.803,945 7.326,946 2.951,947 4.007,948 4.89,950 7.662,951 3.954,952 7.421,953 0.53,954 9.039,955 2.001,956 5.964,957 7.275,958 0.23,959 10.838,960 5.897,961 8.809,962 -0.092,963 10.811,964 1.385,965 6.509,966 8.059,968 12.743,969 6.431,970 10.231,971 -0.501,972 12.621,973 -0.228,974 7.968,975 9.922,976 0.089,977 15.446,978 7.878,979 11.678,980 -0.69,981 14.459,982 -1.222,983 8.885,984 11.103,986 17.693,987 8.784,988 13.145,989 -0.814,990 16.317,991 -1.684,992 10.163,993 12.757,994 0.033,995 20.24,996 10.05,997 3.353,998 -0.914,999 18.19,1000 -2.032,1001 11.241,1002 14.123,1004 22.623,1005 11.115,1006 3.019,1007 12.071,1008 20.077,1009 -2.764,1010 12.456,1011 15.692,1012 0.012,1013 25.119,1014 12.317,1015 2.413,1016 10.294,1017 21.973,1018 4.651,1019 13.599,1020 17.143,1022 27.556,1023 13.447,1024 2.121,1025 7.714,1026 23.877,1027 4.112,1028 14.795,1029 18.681,1030 0.004,1031 30.038,1032 14.63,1033 1.851,1034 6.118,1035 25.787,1036 3.302,1037 15.967,1038 20.171,1040 32.498,1041 15.788,1042 1.693,1043 5.533,1044 27.703,1045 2.93,1046 17.159,1047 21.698,1048 0.002,1049 34.977,1050 16.967,1051 1.531,1052 4.939,1053 29.623,1054 2.544,1055 18.343,1056 23.207,1058 37.449,1059 18.138,1060 3850,1061 6647,1062 16.126,1063 22.972,1064 37.997,1065 38.497,1066 39.071,1067 37.293,1068 37.233,1069 51.864,1070 1.2,1071 114.812,1072 36.472,1073 5.594,1074 5.752,1075 6.721,1076 5.377,1077 5.353,1078 7.651,1079 1.2,1080 19.773,1081 5.307,1082 9.238,1083 1.583,1084 1.604,1085 1.628,1086 1.554,1087 1.551,1088 2.161,1089 0.05,1090 4.784,1091 1.52,1092 4.156,1093 4.182,1094 4.13,1095 4.068,1096 7.428,1097 4.079,1098 3.951,1099 3.976,1100 3.913,1101 3.876,1102 6.473,1103 3.881,1104 3.504,1105 3.55,1106 3.437,1107 3.374,1108 5.128,1109 3.385,1110 3.317,1111 3.359,1112 3.252,1113 3.12,1114 4.848,1115 3.148,1116 2.962,1117 3.023,1118 2.855,1119 2.821,1120 4.689,1121 2.819,1122 2.887,1123 2.947,1124 2.772,1125 2.754,1126 4.271,1127 2.748,1128 2.746,1129 2.836,1130 2.597,1131 2.413,1132 3.896,1133 2.447,1134 2.46,1135 2.54,1136 2.353,1137 2.3,1138 3.674,1139 2.303,1140 0.198,1141 0.156,1142 0.293,1143 0.181,1144 0.14,1145 4.75,1146 0.194,1147 3.752,1148 0.025,1149 7.04,1150 0.503,1151 4.339,1152 0.138,1153 3.353,1154 4.651,1155 0.6,1156 12.071,1157 3.307,1158 1.937,1159 1.916,1160 2.016,1161 2.025,1162 1.154,1163 2.024,1164 1.868,1165 1.846,1166 1.973,1167 1.945,1168 1.062,1169 1.955,1170 1.577,1171 1.553,1172 1.628,1173 1.773,1174 0.714,1175 1.73,1176 1.214,1177 1.169,1178 1.358,1179 1.491,1180 0.318,1181 1.454,1182 1.012,1183 0.974,1184 1.192,1185 1.26,1186 0.226,1187 1.235,1188 0.882,1189 0.835,1190 1.096,1191 1.078,1192 0.143,1193 1.076,1194 0.797,1195 0.727,1196 1.063,1197 1.026,1198 0.09,1199 1.054,1200 0.695,1201 0.633,1202 0.95,1203 0.914,1205 0.941,1206 3.892,1208 5.263,1209 3.045,1210 6.83,1211 5.533,1212 8.487,1213 7.727,1214 10.191,1220 5.799,1221 10.153,1231 22.601,1232 51.191,1233 113.942,1234 136.349,1235 156,1236 158,1237 158,1238 33.995,1239 7.316,1240 92,1241 92,1242 22,1243 12.691,1244 4.248,1245 3.459,1246 27.803,1247 56,1248 51,1249 0.251,1250 136.703,1251 230.04,1252 325.316,1253 13395,1255 14.56,1256 0.693,1257 0.52,1258 14.56,1259 10.921,1260 10.148,1261 0.423,1262 0.27,1263 6.409,1264 9.86,1265 6.297,1266 5.186,1267 10.148,1268 6.479,1269 9.6,1270 0.267,1271 0.138,1272 9.6,1273 4.96,1274 8.524,1275 0.164,1276 0.07,1277 8.524,1278 3.636,1279 7.658,1280 0.102,1281 0.036,1282 7.658,1283 2.666,1284 6.395,1285 0.067,1286 0.019,1287 6.395,1288 1.799,1289 0.372,1290 63.147,1291 0.249,1292 20.072,1293 0.763,1294 120,1295 345.175,1296 129.453,1297 342.076,1298 474.94,1299 318,1300 148,1301 360.582,1302 157.87,1303 368.052,1304 547.39,1305 348,1306 5.602} {0 CHEMBL594857,1 1.8,2 9.192,3 4.199,4 17.632,5 100.471,6 10.596,7 0.69,8 3.817,9 3.913,10 3.669,11 3.421,12 5.119,13 3.425,14 4.273,15 4.386,16 4.115,17 3.844,18 5.528,19 3.827,20 4.523,21 4.663,22 4.178,23 3.951,24 5.77,25 3.922,26 4.575,27 4.743,28 4.191,29 3.934,30 5.848,31 3.904,32 4.561,33 4.711,34 4.275,35 3.846,36 5.942,37 3.846,38 4.512,39 4.683,40 4.112,41 3.775,42 5.941,43 3.752,44 4.394,45 4.561,46 3.937,47 3.653,48 5.724,49 3.623,50 4.283,51 4.472,52 4.038,53 3.512,54 5.678,55 3.426,56 0.177,57 0.583,58 3.282,59 2.998,60 16.202,61 2.927,62 0.242,63 0.908,64 6.486,65 5.329,66 20.16,67 5.865,68 0.445,69 1.13,70 18.923,71 7.083,72 50.25,73 6.642,74 0.454,75 1.178,76 18.148,77 7.628,78 36.573,79 8.383,80 0.588,81 1.113,82 15.96,83 7.034,84 67.672,85 6.708,86 0.634,87 1.044,88 21.378,89 7.349,90 74.22,91 7.617,92 0.51,93 0.932,94 12.532,95 6.178,96 60.462,97 5.919,98 0.555,99 0.793,100 17.18,101 6.212,102 64.773,103 6.559,104 31,105 43,106 0.313,107 0.711,108 0.801,109 0.888,110 0.897,111 0.897,112 3.306,113 0.884,114 -3.5,115 -3.48,116 -3.32,117 1,119 46.2,120 1,133 6,134 3,135 3,143 3,144 1,147 1,155 1,159 5,162 2,164 1,165 1,166 10,168 7,172 3,174 1,176 8,178 8,182 6,185 1,186 2,187 4,190 6,194 7,197 2,198 1,199 5,202 6,206 5,209 2,210 2,211 5,213 6,217 2,220 2,222 4,224 5,229 1,232 3,234 6,237 4,241 1,242 2,247 1,250 3,255 982,256 17.403,257 17.403,258 17.403,259 17.403,260 17.403,261 14.841,262 16.091,263 9.957,264 17.8,265 14.275,266 14.275,267 14.275,268 14.275,269 14.275,270 10.248,271 17.451,272 4.667,273 14.955,274 3.485,275 1.193,276 0.673,277 0.173,278 0.122,279 0.122,280 3.998,284 1,285 516,286 3.162,288 96.832,289 125.182,291 186.25,295 1.376,296 30.736,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 56.75,307 239,308 4.785,309 3.536,310 7.065,311 4.343,312 3.368,313 4.748,314 1.907,315 12.201,316 3.283,317 4.522,318 3.436,319 6.6,320 4.025,321 3.051,322 4.477,323 0.894,324 10.52,325 2.97,326 3.914,327 3.145,328 5.824,329 3.53,330 2.561,331 3.412,332 0.149,333 7.92,334 2.477,335 3.738,336 2.825,337 5.416,338 3.294,339 2.357,340 3.159,342 7.024,343 2.221,344 3.489,345 2.532,346 5.249,347 3.042,348 2.093,349 2.817,351 6.103,352 1.97,353 3.365,354 2.428,355 4.966,356 2.862,357 1.932,358 2.689,360 5.74,361 1.794,362 3.278,363 2.108,364 4.849,365 2.812,366 1.828,367 2.528,369 5.125,370 1.676,371 3.07,372 1.972,373 4.602,374 2.609,375 1.665,376 2.274,378 4.471,379 1.551,380 2.897,381 1.642,382 4.389,383 2.389,384 1.413,385 2.084,386 4.239,387 1.361,388 2.554,389 1.429,390 3.768,391 1.987,392 1.013,393 1.452,394 2.414,395 0.982,396 2.059,397 0.796,398 3.422,399 1.544,400 0.586,401 0.851,402 1.554,403 0.553,404 1.96,405 0.737,406 2.889,407 1.267,408 0.313,409 0.489,411 0.566,412 0.282,413 1.314,414 0.581,415 2.688,416 0.935,417 -0.025,418 -0.031,420 -0.06,421 -0.024,422 1.046,423 0.294,424 2.494,425 0.531,426 -0.349,427 -0.463,429 -0.793,430 -0.218,431 0.797,432 0.096,433 2.386,434 0.361,435 -0.525,436 -0.633,438 -1.341,439 -0.453,440 12.933,441 0.497,442 0.784,443 0.03,444 37.5,445 1.442,446 20.5,447 0.788,448 17,449 0.654,450 20.156,451 0.775,452 26.067,453 0.668,454 27.395,455 1.054,456 7.307,457 0.281,458 5.166,459 0.199,460 0.219,462 0.425,466 0.744,467 0.985,468 0.476,469 0.626,470 0.614,471 0.659,472 0.487,473 1.171,474 0.543,475 0.813,476 0.431,477 0.82,478 1.093,479 1.081,480 0.978,481 0.968,482 0.971,483 0.993,484 0.766,485 1.092,486 0.684,487 0.93,488 0.675,489 0.952,490 1.255,491 1.081,492 0.671,493 0.928,494 1.322,495 0.936,496 0.932,497 0.946,498 0.727,499 0.938,500 0.985,501 0.948,502 1.333,503 1.002,504 0.617,505 0.839,506 1.363,507 0.985,508 0.825,509 0.985,510 1.027,511 1.083,512 0.871,513 1.13,514 6,515 0.062,516 2.889,517 2.806,518 1.837,519 1.306,520 0.704,521 0.545,522 0.229,523 0.204,524 7049,525 25431,526 2.078,527 33.3,529 6,532 4,533 3,536 1.697,537 1.902,538 3.178,539 1.773,541 1,545 70.211,546 1.8,547 4.092,548 4.612,549 5.112,550 5.163,551 5.163,552 2.662,553 4.47,554 4.669,555 3.308,556 1074.97,557 8.128,558 12761.7,560 1,562 1,563 206.131,564 1.513,565 4.611,566 0.207,567 0.006,568 0.067,569 0.064,570 0.042,571 0.031,572 0.019,573 0.018,574 0.01,575 0.014,576 0.477,577 0.33,578 1,579 1.104,580 124.086,581 -0.061,582 0.119,583 -0.011,584 0.134,585 -0.049,586 0.103,587 0.115,588 -0.127,589 0.032,590 0.007,591 0.074,592 0.026,593 -0.228,594 -0.038,595 -0.121,596 -0.066,597 -0.172,598 -0.116,599 0.045,600 -0.076,601 0.001,602 -0.055,603 0.054,604 -0.012,605 -0.107,606 -0.078,607 0.037,608 -0.051,609 -0.154,610 -0.044,611 0.126,612 0.029,613 0.021,614 -0.027,615 0.114,616 0.014,617 -0.201,618 -0.014,619 -0.002,620 0.027,621 -0.194,622 -0.062,623 0.214,624 -0.05,625 0.097,626 -0.044,627 0.163,628 -0.08,629 1.864,630 4.535,631 0.692,632 20.751,633 1.027,634 1.116,635 2.273,636 5.168,637 0.732,638 3.401,639 3.784,640 4.111,641 4.489,642 4.754,643 4.92,644 5.118,645 5.293,646 5.303,647 5.352,648 5.486,649 0.715,650 413.25,651 3.401,652 4.977,653 5.861,654 6.786,655 7.697,656 8.629,657 9.552,658 10.487,659 11.416,660 12.353,661 10.3,668 1,669 2,673 1,674 4,675 6,677 2,680 6,682 20,693 1,696 1,698 1,699 39,700 22,701 2,702 29,703 1,704 42,705 18,706 16,707 6,708 6,710 4,711 6,715 1,721 17,722 1,724 2,728 2,730 1,731 1,733 1,736 13,737 5,738 4,739 8,740 1,743 4,747 0.5,748 3,756 2,759 2,760 2,762 2,766 1,777 2,780 1,781 1,785 26,788 1,790 1,800 1,801 7.7,803 1,804 2,808 13.667,809 7.376,810 5.611,811 2.162,812 4.295,813 1.552,814 1.025,815 4.151,816 12.077,817 3.738,818 4.449,819 5.143,820 5.888,821 6.498,822 6.991,823 7.526,824 8.057,825 8.368,826 8.783,827 1,828 44,829 9.567,831 4.235,832 8.022,833 17.712,835 14.81,837 2.522,838 65.583,842 105.94,843 94.332,844 116.82,846 93.202,849 140.287,850 199.142,851 70.865,852 8.825,853 18.011,854 56.857,855 97.906,856 50.471,857 26.329,858 105.94,859 45.954,860 105.94,861 165.198,862 93.202,864 45.954,865 105.94,866 93.202,869 60.407,870 85.507,871 19.284,872 45.954,873 105.94,874 164.067,875 140.287,878 105.94,879 28.65,880 65.683,881 97.536,882 112.485,883 105.94,884 164.067,885 140.287,887 0.591,888 0.346,889 0.207,890 0.12,891 23,892 11,893 0.071,894 3,895 2,896 1.222,897 3.622,898 236.536,899 0.222,900 18,901 122.211,904 16.972,905 6.359,906 2.876,907 2.702,908 130.496,909 10.675,911 6.039,914 2.366,916 94.265,917 410.294,918 41,922 22.858,924 3.178,925 -0.198,926 40.036,927 43.539,928 0.341,929 0.774,930 0.873,931 0.967,932 0.977,933 0.977,934 4.99,935 1.665,936 5.883,937 5.125,938 4.466,939 5.136,940 2.157,941 6.772,942 4.383,943 6.255,944 1.413,945 7.487,946 4.471,947 4.205,948 5.165,949 1.593,950 7.806,951 4.071,952 7.604,953 1.013,954 9.189,955 4.239,956 6.129,957 7.505,958 2.972,959 10.966,960 5.989,961 8.991,962 0.586,963 10.948,964 2.414,965 6.661,966 8.356,967 3.032,968 12.857,969 6.488,970 10.411,971 0.313,972 12.746,973 1.554,974 8.106,975 10.201,976 4.055,977 15.557,978 7.923,979 11.855,980 -0.025,981 14.572,982 0.566,983 9.006,984 11.437,985 4.409,986 17.807,987 8.796,988 13.321,989 -0.349,990 16.421,991 -0.06,992 10.277,993 13.092,994 5.255,995 20.356,996 10.051,997 3.368,998 -0.525,999 18.287,1000 -0.793,1001 11.343,1002 14.502,1003 5.75,1004 22.747,1005 11.093,1006 3.051,1007 12.201,1008 20.167,1009 -1.341,1010 12.554,1011 16.083,1012 6.502,1013 25.249,1014 12.285,1015 2.561,1016 10.52,1017 22.058,1018 4.748,1019 13.693,1020 17.569,1021 7.068,1022 27.696,1023 13.398,1024 2.357,1025 7.92,1026 23.959,1027 4.477,1028 14.887,1029 19.123,1030 7.771,1031 30.186,1032 14.571,1033 2.093,1034 7.024,1035 25.868,1036 3.412,1037 16.057,1038 20.64,1039 8.374,1040 32.656,1041 15.716,1042 1.932,1043 6.103,1044 27.783,1045 3.159,1046 17.25,1047 22.185,1048 9.051,1049 35.144,1050 16.885,1051 1.828,1052 5.74,1053 29.703,1054 2.817,1055 18.435,1056 23.716,1057 9.674,1058 37.626,1059 18.046,1060 6848,1061 13112,1062 19.016,1063 28.546,1064 45.331,1065 46.606,1066 47.061,1067 44.564,1068 44.36,1069 61.958,1070 5.901,1071 135.754,1072 42.237,1073 5.513,1074 5.536,1075 6.568,1076 5.383,1077 5.368,1078 7.748,1079 3.306,1080 19.908,1081 5.283,1082 14.532,1083 1.563,1084 1.607,1085 1.623,1086 1.537,1087 1.53,1088 2.136,1089 0.203,1090 4.681,1091 1.456,1092 4.204,1093 4.232,1094 6.88,1095 4.12,1096 7.529,1097 4.129,1098 4.024,1099 4.053,1100 4.168,1101 3.949,1102 7.43,1103 3.951,1104 3.619,1105 3.664,1106 3.964,1107 3.447,1108 6.473,1109 3.455,1110 3.437,1111 3.47,1112 3.543,1113 3.304,1114 4.975,1115 3.307,1116 3.297,1117 3.345,1118 3.289,1119 3.124,1120 4.826,1121 3.13,1122 3.054,1123 3.106,1124 3.186,1125 2.87,1126 4.316,1127 2.86,1128 2.923,1129 2.984,1130 2.946,1131 2.805,1132 4.192,1133 2.798,1134 2.757,1135 2.804,1136 2.775,1137 2.397,1138 3.813,1139 2.437,1140 0.165,1141 0.122,1142 0.244,1143 0.15,1144 0.116,1145 4.785,1146 0.164,1147 3.536,1148 0.066,1149 7.065,1150 0.421,1151 4.343,1152 0.113,1153 3.368,1154 4.748,1155 1.907,1156 12.201,1157 3.283,1158 1.946,1159 1.925,1160 2.02,1161 2.037,1162 1.178,1163 2.033,1164 1.923,1165 1.904,1166 1.972,1167 1.992,1168 1.141,1169 1.997,1170 1.629,1171 1.596,1172 1.71,1173 1.822,1174 0.813,1175 1.783,1176 1.46,1177 1.407,1178 1.684,1179 1.725,1180 0.717,1181 1.712,1182 1.238,1183 1.189,1184 1.376,1185 1.516,1186 0.405,1187 1.477,1188 1.025,1189 0.99,1190 1.164,1191 1.249,1192 0.272,1193 1.212,1194 0.96,1195 0.909,1196 1.11,1197 1.155,1198 0.237,1199 1.159,1200 0.778,1201 0.712,1202 1.065,1203 1.021,1204 0.099,1205 1.048,1206 4.078,1208 5.442,1209 3.045,1210 6.995,1211 5.533,1212 8.64,1213 7.735,1214 10.339,1215 3.387,1216 1.42,1221 10.444,1223 2.711,1231 27.889,1232 70.211,1233 159.601,1234 179.866,1235 199.376,1236 201.376,1237 201.376,1238 48.03,1239 7.782,1240 110.34,1241 110.34,1242 22,1243 12.852,1244 4.524,1245 3.7,1246 37.775,1247 83,1248 91,1249 0.225,1250 175.665,1251 290.17,1252 420.382,1253 23819,1254 2.6,1255 18.422,1256 0.709,1257 0.582,1258 19.422,1259 15.139,1260 12.474,1261 0.43,1262 0.295,1263 7.693,1264 11.406,1265 7.472,1266 6.16,1267 13.051,1268 8.542,1269 11.837,1270 0.275,1271 0.159,1272 12.653,1273 6.836,1274 9.738,1275 0.162,1276 0.078,1277 10.263,1278 4.667,1279 8.995,1280 0.102,1281 0.04,1282 9.433,1283 3.499,1284 7.495,1285 0.065,1286 0.022,1287 8.076,1288 2.483,1289 0.34,1290 86.857,1291 0.229,1292 24.395,1293 0.662,1294 144,1295 462.919,1296 223.288,1297 488.233,1298 651.25,1299 450,1300 175,1301 459.547,1302 216.047,1303 476.604,1304 695.12,1305 448,1306 5} {0 CHEMBL596037,1 1.895,2 7.96,3 4.973,4 24.732,5 94.713,6 11.8,7 0.714,8 3.718,9 3.796,10 3.65,11 3.322,12 5.117,13 3.344,14 4.155,15 4.23,16 4.098,17 3.764,18 5.6,19 3.768,20 4.407,21 4.526,22 4.282,23 3.874,24 5.74,25 3.871,26 4.501,27 4.634,28 4.367,29 3.862,30 5.904,31 3.859,32 4.427,33 4.549,34 4.395,35 3.691,36 5.972,37 3.742,38 4.324,39 4.45,40 4.088,41 3.582,42 5.928,43 3.617,44 4.233,45 4.349,46 4.047,47 3.473,48 5.914,49 3.479,50 4.035,51 4.199,52 3.811,53 3.198,54 5.567,55 3.163,56 0.266,57 0.52,58 1.062,59 2.44,60 21.416,61 1.955,62 0.368,63 0.793,64 0.72,65 4.271,66 53.136,67 3.805,68 0.497,69 1.003,70 10.213,71 6.022,72 51.545,73 5.283,74 0.699,75 1.057,76 13.33,77 6.823,78 83.893,79 5.714,80 0.75,81 0.956,82 18.082,83 6.444,84 86.716,85 4.608,86 0.717,87 0.853,88 12.801,89 5.455,90 87.828,91 4.619,92 0.785,93 0.743,94 11.198,95 5.181,96 112.284,97 3.554,98 0.6,99 0.576,100 10.696,101 4.921,102 80.059,103 4.432,104 30,105 42,106 0.336,107 0.688,108 0.789,109 0.881,110 0.891,111 0.891,112 3.269,113 0.85,114 -4.06,115 -4,116 -3.79,117 1,119 47.1,133 6,134 3,135 3,143 3,144 1,155 3,159 6,161 1,162 3,165 1,166 6,168 7,172 8,174 1,176 7,178 5,182 9,185 1,186 2,187 3,190 6,194 9,197 3,199 4,202 5,206 2,209 6,211 6,213 4,216 1,217 3,220 4,222 4,224 4,228 3,229 6,237 4,241 2,242 6,250 4,255 844,256 16.801,257 16.801,258 16.801,259 16.801,260 16.801,261 14.122,262 14.204,263 9.525,264 17.2,265 13.743,266 13.743,267 13.743,268 13.743,269 13.743,270 9.58,271 14.136,272 4.397,273 14.416,274 3.192,275 1.206,276 0.633,277 0.118,278 0.059,279 0.059,280 3.96,284 1,285 431,286 3,288 88.96,289 117.346,291 173.334,295 1.168,296 37.059,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 55.75,307 199,308 4.807,309 3.789,310 7.092,311 4.358,312 3.387,313 4.783,314 2.612,315 12.296,316 3.289,317 4.559,318 3.452,319 6.659,320 4.059,321 3.093,322 4.513,323 0.894,324 10.713,325 2.985,326 4.159,327 3.204,328 6.098,329 3.648,330 2.686,331 3.803,333 8.693,334 2.579,335 3.831,336 2.794,337 5.826,338 3.327,339 2.391,340 3.34,342 7.776,343 2.224,344 3.48,345 2.514,346 5.386,347 2.998,348 2.052,349 2.862,351 6.344,352 1.912,353 3.215,354 2.103,355 4.981,356 2.697,357 1.766,358 2.505,360 5.296,361 1.63,362 3.143,363 1.978,364 4.845,365 2.627,366 1.685,367 2.434,369 5.056,370 1.551,371 2.916,372 1.795,373 4.21,374 2.361,375 1.383,376 2.064,378 3.402,379 1.333,380 2.819,381 1.619,382 3.827,383 2.217,384 1.233,385 1.94,386 2.951,387 1.21,388 2.576,389 1.409,390 3.601,391 2.01,392 1.044,393 1.49,394 2.518,395 0.994,396 2.206,397 1.045,398 3.528,399 1.613,400 0.697,401 1.024,402 1.829,403 0.596,404 1.894,405 1,406 2.847,407 1.204,408 0.223,409 0.364,411 0.376,412 0.217,413 1.255,414 0.672,415 2.705,416 0.788,417 -0.095,418 -0.123,420 -0.239,421 -0.07,422 1,423 0.251,424 2.554,425 0.371,426 -0.539,427 -0.702,429 -1.381,430 -0.393,431 0.863,432 -0.103,433 2.373,434 0.156,435 -0.786,436 -1.046,438 -1.852,439 -0.706,440 12.267,441 0.491,442 0.751,443 0.03,444 38,445 1.52,446 21.5,447 0.86,448 16.5,449 0.66,450 17.985,451 0.719,452 24.933,453 0.733,454 27.763,455 1.111,456 7.382,457 0.295,458 4.625,459 0.185,460 0.217,462 0.44,466 0.552,467 0.834,468 0.459,469 0.518,470 0.562,471 0.582,472 0.463,473 1.143,474 0.551,475 0.804,476 0.383,477 0.846,478 0.756,479 1.187,480 0.885,481 1.034,482 0.59,483 1.017,484 0.977,485 1.095,486 1.016,487 1.008,488 0.944,489 1.014,490 1.159,491 1.053,492 1.055,493 1.157,494 1.133,495 0.965,496 0.98,497 0.97,498 0.807,499 0.961,500 1.062,501 0.975,502 1.29,503 0.919,504 1.166,505 1.003,506 1.324,507 1.109,508 1.156,509 0.822,510 0.963,511 0.979,512 1.382,513 1.101,514 5,515 0.04,516 3.333,517 2.806,518 2.002,519 1.24,520 0.746,521 0.442,522 0.283,523 0.087,524 6108,525 24843,526 2.081,527 26.5,529 6,532 3,536 1.689,537 1.899,538 3.021,539 1.084,545 64.444,546 1.895,547 3.881,548 4.455,549 4.97,550 5.029,551 5.029,552 2.428,553 4.294,554 4.617,555 3.139,556 941.825,557 8.031,558 10817.3,560 1,563 172.974,564 1.516,565 4.552,566 0.179,567 0.01,568 0.079,569 0.062,570 0.045,571 0.03,572 0.021,573 0.015,574 0.015,575 0.007,576 0.464,577 0.5,578 1,579 0.942,580 116.534,581 0.104,582 0.26,583 -0.01,584 0.206,585 -0.014,586 0.125,587 0.137,588 -0.128,589 0.003,590 -0.024,591 0.154,592 -0.066,593 -0.062,594 -0.179,595 -0.029,596 -0.135,597 -0.003,598 -0.1,599 -0.097,600 -0.1,601 -0.021,602 -0.043,603 -0.104,604 -0.045,605 -0.09,606 -0.059,607 0.029,608 -0.167,609 -0.106,610 -0.024,611 0.082,612 0.02,613 -0.019,614 -0.051,615 0.013,616 -0.034,617 -0.073,618 0.043,619 -0.087,620 0.009,621 -0.064,622 -0.164,623 -0.002,624 0.05,625 0.09,626 0.096,627 -0.126,628 0.078,629 2.526,630 4.408,631 0.72,632 17.67,633 1.047,634 1.115,635 2.826,636 7.987,637 0.749,638 3.367,639 3.761,640 4.127,641 4.489,642 4.762,643 4.934,644 5.112,645 5.247,646 5.273,647 5.303,648 5.045,649 0.751,650 401.19,651 3.367,652 4.949,653 5.849,654 6.779,655 7.704,656 8.64,657 9.574,658 10.513,659 11.45,660 12.391,661 11.8,669 2,672 1,673 1,674 4,675 6,677 2,680 6,682 20,693 1,694 1,696 1,698 1,699 34,700 23,701 2,702 28,703 1,704 37,705 16,706 16,707 6,708 6,710 4,711 6,721 16,724 3,726 1,728 3,730 1,736 9,737 5,738 3,739 9,740 1,743 4,747 0.5,748 4,756 2,759 2,760 2,762 2,777 2,780 1,785 25,788 1,800 1,801 11.8,803 1,804 1,807 2,808 13.167,809 6.243,810 5.417,811 1.869,812 4.393,813 1.572,814 1.023,815 3.687,816 12.077,817 3.738,818 4.472,819 5.19,820 5.916,821 6.534,822 7.046,823 7.583,824 8.078,825 8.423,826 8.837,827 1,828 45,829 9.209,831 4.189,832 8.237,833 16.683,835 14.077,837 2.737,838 68.417,842 70.627,843 80.803,844 104.479,846 118.804,849 126.757,850 189.43,851 58.525,852 5.67,854 56.857,855 68.057,856 50.471,857 26.329,858 70.627,859 96.701,860 70.627,861 139.327,862 118.804,864 45.954,865 70.627,866 68.057,867 50.747,869 33.571,870 80.803,871 24.954,872 45.954,873 70.627,874 177.328,875 126.757,878 70.627,879 23.945,880 62.528,881 79.525,882 138.087,883 70.627,884 177.328,885 126.757,887 0.595,888 0.369,889 0.214,890 0.124,891 23,892 11,893 0.081,894 3,895 2,896 1.222,897 3.487,898 228.672,899 0.222,900 18,901 112.096,904 15.964,905 5.773,906 2.38,907 2.153,908 138.087,909 9.755,911 5.838,914 0.756,916 76.254,917 374.712,918 41,920 -0.526,922 33.71,924 3.091,926 35.596,927 37.918,928 0.373,929 0.763,930 0.876,931 0.977,932 0.988,933 0.988,934 4.99,935 1.383,936 5.878,937 5.056,938 4.443,939 5.159,940 2.625,941 6.792,942 4.353,943 6.266,944 1.233,945 7.503,946 3.402,947 4.205,948 5.231,949 2.361,950 7.879,951 4.052,952 7.627,953 1.044,954 9.227,955 2.951,956 6.133,957 7.565,958 4.174,959 11.046,960 5.979,961 9.03,962 0.697,963 11.009,964 2.518,965 6.711,966 8.465,967 4.506,968 12.963,969 6.507,970 10.465,971 0.223,972 12.827,973 1.829,974 8.152,975 10.294,976 5.951,977 15.664,978 7.94,979 11.924,980 -0.095,981 14.669,982 0.376,983 9.083,984 11.557,985 6.556,986 17.918,987 8.832,988 13.403,989 -0.539,990 16.53,991 -0.239,992 10.353,993 13.202,994 7.795,995 20.469,996 10.086,997 3.387,998 -0.786,999 18.405,1000 -1.381,1001 11.436,1002 14.624,1003 8.548,1004 22.861,1005 11.135,1006 3.093,1007 12.296,1008 20.292,1009 -1.852,1010 12.648,1011 16.201,1012 9.67,1013 25.366,1014 12.326,1015 2.686,1016 10.713,1017 22.187,1018 4.783,1019 13.796,1020 17.692,1021 10.509,1022 27.815,1023 13.443,1024 2.391,1025 8.693,1026 24.091,1027 4.513,1028 14.993,1029 19.245,1030 11.563,1031 30.308,1032 14.615,1033 2.052,1034 7.776,1035 26,1036 3.803,1037 16.169,1038 20.767,1039 12.452,1040 32.783,1041 15.761,1042 1.766,1043 6.344,1044 27.915,1045 3.34,1046 17.364,1047 22.314,1048 13.468,1049 35.276,1050 16.93,1051 1.685,1052 5.296,1053 29.835,1054 2.862,1055 18.554,1056 23.849,1057 14.386,1058 37.763,1059 18.091,1060 5926,1061 12079,1062 18.323,1063 25.477,1064 44.063,1065 46.262,1066 46.106,1067 43.528,1068 43.278,1069 62.242,1070 7.014,1071 134.496,1072 41.044,1073 5.503,1074 5.789,1075 6.773,1076 5.398,1077 5.387,1078 7.783,1079 4.612,1080 20.037,1081 5.289,1082 13.769,1083 1.574,1084 1.652,1085 1.647,1086 1.555,1087 1.546,1088 2.223,1089 0.25,1090 4.803,1091 1.466,1092 4.212,1093 4.238,1094 6.881,1095 4.125,1096 7.815,1097 4.134,1098 4.039,1099 4.067,1100 4.166,1101 3.954,1102 7.529,1103 3.958,1104 3.699,1105 3.726,1106 3.978,1107 3.432,1108 6.999,1109 3.462,1110 3.412,1111 3.455,1112 3.685,1113 3.207,1114 6.473,1115 3.244,1116 3.173,1117 3.188,1118 3.331,1119 3.008,1120 4.972,1121 2.984,1122 3.047,1123 3.105,1124 3.04,1125 2.828,1126 4.801,1127 2.835,1128 2.882,1129 2.925,1130 2.98,1131 2.621,1132 4.277,1133 2.693,1134 2.756,1135 2.803,1136 2.677,1137 2.356,1138 4.053,1139 2.437,1140 0.172,1141 0.135,1142 0.253,1143 0.156,1144 0.121,1145 4.807,1146 0.171,1147 3.789,1148 0.093,1149 7.092,1150 0.439,1151 4.358,1152 0.117,1153 3.387,1154 4.783,1155 2.612,1156 12.296,1157 3.289,1158 1.955,1159 1.941,1160 2.022,1161 2.088,1162 1.186,1163 2.051,1164 1.927,1165 1.902,1166 1.98,1167 2.012,1168 1.133,1169 2.016,1170 1.629,1171 1.599,1172 1.675,1173 1.821,1174 0.81,1175 1.781,1176 1.318,1177 1.276,1178 1.401,1179 1.726,1180 0.403,1181 1.622,1182 1.136,1183 1.114,1184 1.209,1185 1.462,1186 0.287,1187 1.392,1188 1.03,1189 0.973,1190 1.2,1191 1.283,1192 0.256,1193 1.249,1194 0.82,1195 0.784,1196 1,1197 1.006,1198 0.072,1199 1.031,1200 0.728,1201 0.664,1202 0.963,1203 0.957,1205 0.972,1206 4.043,1208 5.416,1209 3.045,1210 6.987,1211 5.533,1212 8.652,1213 7.743,1214 10.367,1215 3.264,1221 10.377,1231 25.55,1232 64.444,1233 131.954,1234 151.464,1235 168.974,1236 170.974,1237 170.974,1238 52.767,1239 7.684,1240 127.06,1241 127.06,1242 22,1243 12.886,1244 4.585,1245 3.807,1246 35.575,1247 74,1248 70,1249 0.24,1250 160.476,1251 264.36,1252 383.322,1253 20757,1254 2.9,1255 17.715,1256 0.709,1257 0.56,1258 18.715,1259 13.994,1260 12.007,1261 0.429,1262 0.283,1263 7.07,1264 10.875,1265 6.937,1266 5.688,1267 12.585,1268 7.933,1269 11.251,1270 0.268,1271 0.15,1272 11.992,1273 6.296,1274 9.877,1275 0.162,1276 0.077,1277 10.541,1278 4.681,1279 8.819,1280 0.1,1281 0.04,1282 9.505,1283 3.534,1284 7.472,1285 0.064,1286 0.021,1287 8.262,1288 2.42,1289 0.357,1290 84.972,1291 0.234,1292 23.334,1293 0.724,1294 140,1295 503.967,1296 221.196,1297 522.777,1298 688.99,1299 478,1300 173,1301 490.022,1302 223.632,1303 500.428,1304 731,1305 469,1306 5} {0 CHEMBL603641,1 1.851,2 8.542,3 3.921,4 15.37,5 89.728,6 12.068,7 0.593,8 3.656,9 3.721,10 3.61,11 3.297,12 5.021,13 3.316,14 4.108,15 4.173,16 4.078,17 3.727,18 5.61,19 3.737,20 4.334,21 4.44,22 4.142,23 3.801,24 5.765,25 3.803,26 4.372,27 4.498,28 4.082,29 3.715,30 5.824,31 3.724,32 4.243,33 4.343,34 4.183,35 3.536,36 5.89,37 3.596,38 4.106,39 4.215,40 3.785,41 3.416,42 5.646,43 3.455,44 4.067,45 4.175,46 3.83,47 3.338,48 5.804,49 3.353,50 3.91,51 4.052,52 3.914,53 3.166,54 5.611,55 3.112,56 0.23,57 0.452,58 0.617,59 2.281,60 22.113,61 1.819,62 0.359,63 0.697,64 0.296,65 3.884,66 57.081,67 3.341,68 0.491,69 0.875,70 13.352,71 5.684,72 56.253,73 4.667,74 0.629,75 0.901,76 11.083,77 5.979,78 88.256,79 4.922,80 0.673,81 0.76,82 8.4,83 5.063,84 99.666,85 3.693,86 0.535,87 0.682,88 3.795,89 4.166,90 72.372,91 3.343,92 0.652,93 0.635,94 3.455,95 4.141,96 97.355,97 3.026,98 0.568,99 0.494,100 9.551,101 4.634,102 103.277,103 4.167,104 27,105 41,106 0.333,107 0.703,108 0.802,109 0.889,110 0.889,111 0.889,112 3.23,113 0.852,114 -3.99,115 -3.94,116 -3.74,117 1,119 50,133 6,134 3,135 3,143 1,144 1,146 2,155 2,159 5,161 1,162 6,165 1,166 4,168 7,171 1,172 11,176 3,178 8,182 8,185 2,187 2,190 4,194 7,197 3,199 3,202 4,205 1,206 2,209 3,211 4,213 5,216 3,217 2,220 2,222 2,224 5,228 2,229 4,234 2,237 4,242 5,250 2,255 762,256 15.878,257 15.878,258 15.878,259 15.878,260 15.878,261 13.442,262 16.801,263 8.91,264 16.218,265 13.295,266 13.295,267 13.295,268 13.295,269 13.295,270 9.475,271 20.112,272 4.221,273 13.904,274 3.149,275 1.094,276 0.547,277 0.063,278 0.063,279 0.063,280 3.921,283 1,284 1,285 447,286 2.828,288 86.395,289 112.535,291 166.965,295 1.253,296 39.848,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53.25,307 205,308 4.757,309 3.787,310 7.043,311 4.345,312 3.36,313 4.664,314 2.612,315 12.083,316 3.31,317 4.466,318 3.75,319 6.567,320 4.032,321 3.048,322 4.161,323 0.6,324 10.364,325 2.997,326 4.154,327 3.205,328 5.963,329 3.639,330 2.674,331 3.793,333 8.317,334 2.576,335 3.795,336 2.891,337 5.709,338 3.295,339 2.355,340 3.264,342 7.442,343 2.217,344 3.479,345 2.545,346 5.221,347 2.986,348 2.065,349 2.84,351 5.978,352 1.892,353 3.252,354 2.363,355 4.954,356 2.823,357 1.863,358 2.493,360 5.593,361 1.679,362 3.171,363 2.092,364 4.832,365 2.66,366 1.713,367 2.397,369 5.05,370 1.594,371 2.932,372 1.803,373 4.599,374 2.388,375 1.414,376 2.062,378 4.302,379 1.361,380 2.881,381 1.548,382 3.792,383 2.207,384 1.216,385 1.985,386 2.888,387 1.203,388 2.408,389 1.292,390 3.649,391 1.836,392 0.817,393 1.231,394 2.074,395 0.821,396 2.046,397 1,398 3.384,399 1.492,400 0.539,401 0.785,402 1.461,403 0.502,404 1.32,405 0.744,406 2.753,407 0.861,408 -0.066,409 -0.086,411 -0.16,412 -0.049,413 1.023,414 0.482,415 2.426,416 0.52,417 -0.385,418 -0.505,420 -0.978,421 -0.292,422 1,423 0.078,424 2.382,425 0.207,426 -0.774,427 -1.036,429 -2,430 -0.64,431 0.693,432 -0.096,433 2.27,434 0.152,435 -0.808,436 -1.141,438 -2.049,439 -0.77,440 11.867,441 0.494,442 0.806,443 0.034,444 36.75,445 1.531,446 21,447 0.875,448 15.75,449 0.656,450 16.384,451 0.683,452 23.533,453 0.735,454 26.368,455 1.099,456 7.011,457 0.292,458 4.441,459 0.185,460 0.225,462 0.455,466 0.58,467 0.853,468 0.454,469 0.547,470 0.616,471 0.591,472 0.508,473 1.104,474 0.546,475 0.772,476 0.459,477 0.804,478 0.874,479 1.117,480 0.984,481 1.041,482 0.708,483 1.031,484 1.113,485 1.029,486 0.759,487 0.925,488 1.078,489 1.02,490 1.211,491 1.029,492 0.739,493 0.939,494 1.253,495 0.859,496 1.145,497 0.959,498 0.408,499 0.788,500 1.282,501 0.958,502 1.091,503 0.93,504 0.696,505 0.814,506 1.102,507 1.046,508 0.882,509 0.948,510 1.262,511 1.162,512 0.952,513 1.187,514 5.5,515 0.085,516 3.333,517 2.681,518 1.672,519 1.206,520 0.639,521 0.385,522 0.24,523 0.09,524 5721,525 23506,526 2.085,527 25,529 6,532 2,536 1.675,537 1.895,538 3.092,539 0.378,541 1,545 59.245,546 1.851,547 3.906,548 4.453,549 4.938,550 4.938,551 4.938,552 2.485,553 4.502,554 4.557,555 3.198,556 882.689,557 7.894,558 9828.4,560 1,562 1,563 160,564 1.516,565 4.49,566 0.204,567 0.014,568 0.081,569 0.064,570 0.044,571 0.033,572 0.021,573 0.015,574 0.013,575 0.009,576 0.499,577 0.5,578 1,579 0.854,580 110.942,581 0.056,582 0.183,583 -0.008,584 0.153,585 -0.069,586 0.098,587 0.127,588 -0.123,589 0.002,590 -0.025,591 0.138,592 -0.061,593 -0.111,594 -0.121,595 -0.113,596 -0.147,597 -0.015,598 -0.128,599 -0.177,600 -0.039,601 -0.045,602 -0.034,603 -0.139,604 -0.05,605 -0.06,606 -0.037,607 0.059,608 -0.024,609 -0.09,610 0.047,611 -0.085,612 0.038,613 0.002,614 0.004,615 -0.179,616 -0.073,617 0.084,618 0.069,619 -0.014,620 0.08,621 0.076,622 -0.125,623 0.231,624 -0.085,625 0.122,626 0.032,627 0.225,628 0.054,629 2.53,630 5.652,631 0.75,632 16.896,633 1.047,634 1.107,635 2.762,636 7.631,637 0.765,638 3.332,639 3.738,640 4.078,641 4.419,642 4.691,643 4.844,644 5.043,645 5.182,646 5.182,647 5.236,648 5.12,649 0.767,650 386.17,651 3.332,652 4.92,653 5.814,654 6.739,655 7.657,656 8.587,657 9.513,658 10.446,659 11.377,660 12.311,661 9.4,669 1,670 1,672 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,694 1,696 1,698 1,699 32,700 20,701 2,702 27,703 1,704 35,705 16,706 14,707 6,708 6,709 2,710 4,711 6,721 16,724 4,726 1,728 3,730 1,731 2,733 1,736 8,737 5,738 2,739 8,740 1,743 3,747 0.5,748 4,756 1,759 2,760 2,762 2,777 2,780 1,785 24,788 1,800 1,801 12.5,803 1,804 1,807 2,808 12.667,809 5.993,810 5.056,811 1.795,812 3.895,813 1.511,814 1.022,815 3.302,816 11.515,817 3.689,818 4.404,819 5.074,820 5.743,821 6.345,822 6.792,823 7.304,824 7.751,825 8.036,826 8.421,827 0.833,828 42,829 8.888,831 4.092,832 8.247,833 16.051,835 13.614,837 2.747,838 65.917,842 70.627,843 84.405,844 85.195,846 118.575,849 130.359,850 189.202,851 39.241,852 5.67,854 56.857,855 75.718,856 51.084,857 2.144,858 70.627,859 96.701,860 70.627,861 123.646,862 118.575,864 45.954,865 70.627,866 67.828,867 50.747,869 33.571,870 84.405,871 5.67,872 45.954,873 70.627,874 157.816,875 130.359,878 70.627,879 27.547,880 62.528,881 62.74,882 135.361,883 70.627,884 157.816,885 130.359,887 0.605,888 0.363,889 0.199,890 0.116,891 23,892 11,893 0.057,894 2,895 2,896 1.222,897 3.455,898 214.106,899 0.222,900 18,901 108.039,904 15.059,905 5.262,906 2.286,907 0.862,908 135.361,909 9.238,911 2.719,914 1.449,916 59.469,917 358.802,918 39,920 -0.53,922 34.641,924 4.298,925 -0.277,926 33.495,927 35.42,928 0.37,929 0.781,930 0.891,931 0.988,932 0.988,933 0.988,934 4.956,935 1.414,936 5.849,937 5.05,938 4.419,939 5.091,940 2.559,941 6.749,942 4.345,943 6.23,944 1.216,945 7.468,946 4.302,947 4.205,948 5.139,949 2.361,950 7.799,951 4.083,952 7.589,953 0.817,954 9.183,955 2.888,956 6.103,957 7.434,958 4.159,959 10.951,960 5.986,961 8.983,962 0.539,963 10.953,964 2.074,965 6.673,966 8.272,967 4.506,968 12.831,969 6.536,970 10.408,971 -0.066,972 12.758,973 1.461,974 8.101,975 10.08,976 5.948,977 15.522,978 7.961,979 11.854,980 -0.385,981 14.588,982 -0.16,983 9.019,984 11.279,985 6.556,986 17.752,987 8.868,988 13.318,989 -0.774,990 16.437,991 -0.978,992 10.28,993 12.902,994 7.794,995 20.291,996 10.122,997 3.36,998 -0.808,999 18.301,1000 -2,1001 11.351,1002 14.27,1003 8.548,1004 22.664,1005 11.182,1006 3.048,1007 12.083,1008 20.178,1009 -2.049,1010 12.555,1011 15.821,1012 9.67,1013 25.156,1014 12.377,1015 2.674,1016 10.364,1017 22.065,1018 4.664,1019 13.692,1020 17.268,1021 10.509,1022 27.588,1023 13.502,1024 2.355,1025 8.317,1026 23.96,1027 4.161,1028 14.881,1029 18.795,1030 11.563,1031 30.067,1032 14.68,1033 2.065,1034 7.442,1035 25.863,1036 3.793,1037 16.047,1038 20.279,1039 12.452,1040 32.526,1041 15.835,1042 1.863,1043 5.978,1044 27.771,1045 3.264,1046 17.235,1047 21.799,1048 13.468,1049 35.004,1050 17.01,1051 1.713,1052 5.593,1053 29.684,1054 2.84,1055 18.416,1056 23.304,1057 14.386,1058 37.475,1059 18.178,1060 5519,1061 11285,1062 17.63,1063 24.472,1064 42.904,1065 44.953,1066 44.612,1067 42.382,1068 42.128,1069 59.354,1070 6.425,1071 131.106,1072 40.303,1073 5.603,1074 5.787,1075 6.344,1076 5.384,1077 5.36,1078 7.664,1079 4.612,1080 19.788,1081 5.31,1082 13.489,1083 1.589,1084 1.665,1085 1.652,1086 1.57,1087 1.56,1088 2.198,1089 0.238,1090 4.856,1091 1.493,1092 4.171,1093 4.196,1094 6.88,1095 4.076,1096 7.815,1097 4.089,1098 3.964,1099 3.983,1100 4.144,1101 3.901,1102 7.428,1103 3.897,1104 3.701,1105 3.727,1106 3.893,1107 3.433,1108 6.999,1109 3.465,1110 3.378,1111 3.395,1112 3.678,1113 3.201,1114 6.473,1115 3.227,1116 3.154,1117 3.181,1118 3.246,1119 2.885,1120 4.902,1121 2.92,1122 2.912,1123 2.958,1124 3.073,1125 2.813,1126 4.764,1127 2.785,1128 2.86,1129 2.913,1130 2.804,1131 2.616,1132 4.302,1133 2.681,1134 2.529,1135 2.565,1136 2.686,1137 2.387,1138 4.046,1139 2.353,1140 0.176,1141 0.14,1142 0.261,1143 0.161,1144 0.124,1145 4.757,1146 0.173,1147 3.787,1148 0.097,1149 7.043,1150 0.448,1151 4.345,1152 0.123,1153 3.36,1154 4.664,1155 2.612,1156 12.083,1157 3.31,1158 1.956,1159 1.936,1160 2.023,1161 2.099,1162 1.168,1163 2.064,1164 1.863,1165 1.849,1166 1.913,1167 1.919,1168 1.071,1169 1.931,1170 1.578,1171 1.556,1172 1.628,1173 1.779,1174 0.715,1175 1.731,1176 1.3,1177 1.263,1178 1.362,1179 1.715,1180 0.341,1181 1.607,1182 1.086,1183 1.076,1184 1.183,1185 1.377,1186 0.234,1187 1.316,1188 0.874,1189 0.856,1190 1.09,1191 1.069,1192 0.094,1193 1.081,1194 0.832,1195 0.774,1196 0.929,1197 0.984,1198 0.074,1199 0.99,1200 0.713,1201 0.657,1202 0.897,1203 0.908,1205 0.939,1206 4.007,1208 5.389,1209 3.045,1210 6.957,1211 5.533,1212 8.612,1213 7.727,1214 10.315,1215 3.307,1221 10.208,1231 24.529,1232 59.245,1233 124.98,1234 142.49,1235 158,1236 158,1237 158,1238 51.289,1239 7.62,1240 111.8,1241 111.8,1242 22,1243 12.811,1244 4.392,1245 3.7,1246 33.652,1247 72,1248 74,1249 0.233,1250 153.682,1251 264.26,1252 366.744,1253 19357,1254 3.1,1255 17.008,1256 0.709,1257 0.562,1258 18.008,1259 13.494,1260 11.452,1261 0.424,1262 0.284,1263 6.823,1264 10.38,1265 6.684,1266 5.459,1267 12.03,1268 7.672,1269 11.132,1270 0.272,1271 0.151,1272 11.949,1273 6.202,1274 9.588,1275 0.165,1276 0.075,1277 10.112,1278 4.354,1279 8.281,1280 0.101,1281 0.038,1282 8.72,1283 3.136,1284 7.047,1285 0.065,1286 0.021,1287 7.668,1288 2.229,1289 0.35,1290 80.956,1291 0.238,1292 22.69,1293 0.691,1294 136,1295 485.634,1296 216.473,1297 503.779,1298 664.81,1299 462,1300 167,1301 466.835,1302 210.12,1303 478.801,1304 705.26,1305 450,1306 5} {0 CHEMBL604263,1 1.646,2 7.227,3 3.584,4 12.843,5 84.466,6 8.598,7 0.8,8 3.69,9 3.799,10 3.367,11 3.269,12 5.002,13 3.282,14 4.121,15 4.234,16 3.757,17 3.694,18 5.329,19 3.687,20 4.376,21 4.534,22 3.829,23 3.779,24 5.581,25 3.763,26 4.454,27 4.642,28 3.817,29 3.731,30 5.704,31 3.714,32 4.383,33 4.558,34 3.75,35 3.584,36 5.75,37 3.602,38 4.281,39 4.457,40 3.609,41 3.492,42 5.772,43 3.486,44 4.168,45 4.358,46 3.293,47 3.326,48 5.496,49 3.291,50 3.949,51 4.207,52 2.706,53 3.029,54 5.114,55 2.884,56 0.146,57 0.534,58 5.378,59 2.568,60 17.713,61 2.746,62 0.123,63 0.821,64 8.062,65 4.541,66 12.039,67 5.32,68 0.221,69 1.024,70 12.665,71 5.709,72 26.959,73 6.705,74 0.345,75 1.066,76 15.699,77 6.15,78 33.463,79 7.616,80 0.421,81 0.957,82 15.189,83 5.407,84 52.724,85 5.931,86 0.471,87 0.852,88 13.621,89 4.939,90 68.084,91 5.622,92 0.381,93 0.742,94 12.93,95 4.483,96 54.423,97 4.721,98 0.273,99 0.568,100 12.124,101 4.3,102 40.436,103 5.711,104 11,105 37,106 0.295,107 0.63,108 0.755,109 0.879,110 0.9,111 0.9,112 3.149,113 0.808,114 -3.1,115 -3.1,116 -2.98,119 47.1,133 7,134 3,135 2,143 3,144 1,152 1,153 1,154 1,155 1,159 7,162 1,165 1,166 9,168 7,170 2,172 3,174 1,176 8,178 6,180 2,182 5,185 1,186 2,187 5,190 4,192 1,194 5,197 2,198 1,199 4,201 1,202 5,206 3,209 2,210 2,211 5,212 2,213 5,217 2,219 1,220 1,222 5,224 5,226 1,229 1,231 1,232 1,234 2,237 4,239 2,247 2,250 2,252 2,255 572,256 15.093,257 15.093,258 15.093,259 15.093,260 15.093,261 12.712,262 10.769,263 8.666,264 15.325,265 12.291,266 12.291,267 12.291,268 12.291,269 12.291,270 8.612,271 9.517,272 4.021,273 12.651,274 3.442,275 1.568,276 0.872,277 0.176,278 0.059,279 0.059,280 3.845,283 1,284 1,285 351,286 2.345,288 73.726,289 98.421,291 144.859,295 0.996,296 23.223,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 48,307 159,308 4.78,309 3.431,310 7.063,311 4.339,312 3.363,313 4.74,314 0.894,315 12.191,316 3.281,317 4.506,318 3.116,319 6.59,320 4.008,321 3.031,322 4.459,324 10.47,325 2.962,326 3.817,327 2.516,328 5.794,329 3.392,330 2.414,331 3.326,333 7.727,334 2.359,335 3.561,336 2.51,337 5.302,338 3.108,339 2.142,340 2.981,342 6.251,343 2.066,344 3.327,345 2.11,346 4.992,347 2.862,348 1.899,349 2.658,351 5.737,352 1.827,353 3.117,354 1.984,355 4.814,356 2.642,357 1.708,358 2.374,360 4.975,361 1.587,362 3.022,363 1.643,364 4.605,365 2.508,366 1.531,367 2.267,369 4.4,370 1.491,371 2.788,372 1.536,373 3.767,374 2.295,375 1.303,376 1.923,378 2.954,379 1.292,380 2.543,381 1.304,382 3.589,383 1.977,384 1.003,385 1.433,386 2.33,387 0.975,388 2.042,389 0.754,390 3.382,391 1.514,392 0.549,393 0.808,394 1.435,395 0.528,396 1.893,397 0.54,398 2.781,399 1.203,400 0.221,401 0.363,402 0.368,403 0.217,404 1.18,405 0.132,406 2.528,407 0.8,408 -0.14,409 -0.176,411 -0.331,412 -0.131,413 0.775,414 -0.396,415 2.409,416 0.299,417 -0.657,418 -0.818,420 -1.59,421 -0.604,422 0.656,423 -0.472,424 2.279,425 0.213,426 -0.723,427 -1.025,429 -1.757,430 -0.691,431 0.62,432 -0.811,433 2.238,434 0.113,435 -0.875,436 -1.309,438 -2.104,439 -0.863,440 10.267,441 0.467,442 0.572,443 0.026,444 33.5,445 1.523,446 19,447 0.864,448 14.5,449 0.659,450 13.26,451 0.603,452 22.133,453 0.651,454 23.668,455 1.076,456 6.761,457 0.307,458 3.924,459 0.178,460 0.104,462 0.438,466 0.838,467 0.869,468 0.724,469 0.652,470 0.751,471 0.646,472 0.48,473 1.186,474 0.664,475 1.019,476 0.423,477 0.912,478 0.829,479 1.181,480 0.902,481 1.1,482 0.734,483 1.029,484 0.819,485 1.107,486 0.882,487 1.071,488 0.778,489 1,490 1.455,491 1.015,492 1.013,493 0.968,494 1.452,495 0.912,496 1.169,497 0.943,498 1.071,499 0.994,500 1.193,501 1.005,502 1.74,503 0.916,504 1.408,505 0.989,506 1.809,507 1.107,508 0.881,509 0.855,510 1.234,511 1.079,512 0.878,513 1.208,514 4,516 2.667,517 2.493,518 1.446,519 1.028,520 0.472,521 0.276,522 0.086,523 0.031,524 4479,525 13470,526 2.148,527 35.3,529 7,532 5,536 1.653,537 2,538 2.897,539 2.734,541 1,543 1,545 55.954,546 1.646,547 3.52,548 4.215,549 4.911,550 5.029,551 5.029,552 2.22,553 4.187,554 4.434,555 2.99,556 690.641,557 7.658,558 7244.64,559 1,560 1,561 1,562 1,563 172.974,564 1.437,565 4.388,566 0.16,568 0.072,569 0.066,570 0.04,571 0.031,572 0.017,573 0.014,574 0.009,575 0.008,576 0.416,577 0.5,578 1,579 0.797,580 97.603,581 -0.075,582 0.242,583 -0.023,584 0.261,585 -0.092,586 0.164,587 0.077,588 -0.145,589 0.039,590 -0.06,591 0.03,592 -0.032,593 -0.062,594 -0.161,595 -0.059,596 -0.152,597 -0.066,598 -0.115,599 0.088,600 -0.112,601 0.071,602 -0.119,603 0.055,604 -0.045,605 -0.128,606 -0.025,607 -0.014,608 -0.036,609 -0.118,610 -0.008,611 0.107,612 0.041,613 -0.077,614 -0.053,615 0.183,616 -0.09,617 -0.384,618 0.038,619 -0.373,620 -0.035,621 -0.338,622 -0.17,623 0.007,624 0.003,625 -0.083,626 -0.036,627 0.069,628 -0.073,629 1.697,630 4.325,631 0.818,632 13.818,633 1.018,634 1.12,635 1.873,636 3.508,637 0.705,638 3.258,639 3.638,640 4.007,641 4.382,642 4.635,643 4.762,644 4.92,645 5.05,646 5.011,647 5.024,648 4.591,649 0.695,650 292.32,651 3.258,652 4.828,653 5.727,654 6.653,655 7.574,656 8.507,657 9.436,658 10.372,659 11.304,660 12.24,661 11.8,665 1,669 2,673 1,674 4,675 7,677 2,680 5,682 20,691 1,693 1,696 1,699 34,700 21,701 2,702 25,704 37,705 16,706 16,707 5,708 7,710 4,711 6,721 16,724 1,728 1,730 1,732 1,733 1,736 12,737 4,738 5,739 6,743 4,747 0.5,748 2,756 2,759 2,760 2,762 2,777 2,785 22,786 1,788 1,801 5.9,803 1,804 1,808 11,809 5.983,810 4.778,811 1.849,812 4.235,813 1.572,814 1.057,815 2.789,816 11.639,817 3.611,818 4.337,819 5.08,820 5.82,821 6.416,822 6.877,823 7.393,824 7.899,825 8.175,826 8.579,827 0.8,828 38,829 8.076,831 3.617,832 7.955,833 15.05,835 12.815,837 2.455,838 54,842 82.398,843 87.224,844 85.752,846 68.057,849 87.224,850 150.455,851 85.752,854 99.231,855 68.057,856 47.416,857 26.329,858 82.398,860 82.398,861 172.976,862 68.057,865 82.398,866 68.057,869 33.571,870 120.121,871 19.284,873 82.398,874 153.809,875 87.224,878 82.398,879 20.89,880 66.334,881 33.571,882 120.238,883 82.398,884 153.809,885 87.224,887 0.588,888 0.366,889 0.222,890 0.127,891 21,892 9,893 0.054,894 2,895 2,896 1.222,897 3.319,898 191.342,899 0.222,900 18,901 98.107,904 13.068,905 4.695,906 1.873,907 2.959,908 120.238,909 12.643,911 6.04,914 1.786,916 109.152,917 323.43,918 36,922 11.325,924 3.147,926 34.596,927 38.073,928 0.323,929 0.692,930 0.829,931 0.965,932 0.988,933 0.988,934 4.852,935 1.303,936 5.74,937 4.4,938 4.317,939 5.024,940 0.956,941 6.642,942 4.261,943 6.115,944 1.003,945 7.351,946 2.954,947 4.007,948 5.007,950 7.706,951 3.918,952 7.464,953 0.549,954 9.063,955 2.33,956 5.989,957 7.42,958 0.824,959 10.884,960 5.886,961 8.858,962 0.221,963 10.836,964 1.435,965 6.524,966 8.267,968 12.809,969 6.39,970 10.286,971 -0.14,972 12.649,973 0.368,974 7.993,975 10.141,976 0.705,977 15.512,978 7.846,979 11.742,980 -0.657,981 14.489,982 -0.331,983 8.908,984 11.382,986 17.778,987 8.732,988 13.218,989 -0.723,990 16.35,991 -1.59,992 10.191,993 13.048,994 0.598,995 20.329,996 9.997,997 3.363,998 -0.875,999 18.227,1000 -1.757,1001 11.27,1002 14.462,1004 22.726,1005 11.048,1006 3.031,1007 12.191,1008 20.117,1009 -2.104,1010 12.488,1011 16.047,1012 0.504,1013 25.229,1014 12.246,1015 2.414,1016 10.47,1017 22.016,1018 4.74,1019 13.634,1020 17.533,1022 27.678,1023 13.365,1024 2.142,1025 7.727,1026 23.923,1027 4.459,1028 14.833,1029 19.088,1030 0.422,1031 30.167,1032 14.541,1033 1.899,1034 6.251,1035 25.837,1036 3.326,1037 16.008,1038 20.605,1040 32.638,1041 15.69,1042 1.708,1043 5.737,1044 27.756,1045 2.981,1046 17.203,1047 22.15,1048 0.35,1049 35.126,1050 16.861,1051 1.531,1052 4.975,1053 29.679,1054 2.658,1055 18.39,1056 23.68,1058 37.608,1059 18.024,1060 4279,1061 7522,1062 16.819,1063 23.977,1064 39.112,1065 39.666,1066 40.593,1067 38.4,1068 38.328,1069 54.661,1070 1.789,1071 117.678,1072 37.168,1073 5.475,1074 5.431,1075 6.744,1076 5.377,1077 5.363,1078 7.74,1079 1.789,1080 19.896,1081 5.281,1082 9.708,1083 1.564,1084 1.587,1085 1.624,1086 1.536,1087 1.533,1088 2.186,1089 0.072,1090 4.707,1091 1.487,1092 4.202,1093 4.231,1094 4.176,1095 4.113,1096 7.529,1097 4.125,1098 4.02,1099 4.052,1100 3.982,1101 3.937,1102 6.473,1103 3.943,1104 3.507,1105 3.555,1106 3.436,1107 3.383,1108 5.13,1109 3.39,1110 3.357,1111 3.416,1112 3.285,1113 3.16,1114 4.945,1115 3.183,1116 3.052,1117 3.109,1118 2.992,1119 2.835,1120 4.696,1121 2.843,1122 2.953,1123 3.024,1124 2.828,1125 2.812,1126 4.26,1127 2.808,1128 2.761,1129 2.841,1130 2.658,1131 2.413,1132 3.9,1133 2.447,1134 2.742,1135 2.802,1136 2.597,1137 2.351,1138 3.763,1139 2.436,1140 0.191,1141 0.137,1142 0.283,1143 0.174,1144 0.135,1145 4.78,1146 0.19,1147 3.431,1148 0.036,1149 7.063,1150 0.488,1151 4.339,1152 0.131,1153 3.363,1154 4.74,1155 0.894,1156 12.191,1157 3.281,1158 1.941,1159 1.92,1160 2.022,1161 2.029,1162 1.165,1163 2.028,1164 1.926,1165 1.901,1166 2.018,1167 2.01,1168 1.132,1169 2.015,1170 1.628,1171 1.594,1172 1.688,1173 1.823,1174 0.807,1175 1.784,1176 1.263,1177 1.209,1178 1.406,1179 1.561,1180 0.398,1181 1.518,1182 1.046,1183 0.997,1184 1.218,1185 1.308,1186 0.285,1187 1.272,1188 1.011,1189 0.949,1190 1.201,1191 1.266,1192 0.237,1193 1.248,1194 0.797,1195 0.726,1196 1.096,1197 1.034,1198 0.1,1199 1.064,1200 0.718,1201 0.649,1202 1.008,1203 0.961,1205 0.98,1206 3.932,1208 5.293,1209 3.045,1210 6.858,1211 5.533,1212 8.515,1213 7.735,1214 10.223,1220 5.835,1221 10.264,1231 23.622,1232 55.954,1233 119.671,1234 143.322,1235 166.974,1236 170.974,1237 170.974,1238 34.042,1239 7.404,1240 107.26,1241 107.26,1242 22,1243 12.739,1244 4.459,1245 3.585,1246 29.615,1247 60,1248 55,1249 0.251,1250 143.497,1251 230.14,1252 341.894,1253 14882,1255 15.267,1256 0.694,1257 0.519,1258 15.267,1259 11.421,1260 10.686,1261 0.427,1262 0.269,1263 6.65,1264 10.303,1265 6.543,1266 5.404,1267 10.686,1268 6.734,1269 9.813,1270 0.265,1271 0.139,1272 9.813,1273 5.139,1274 8.745,1275 0.162,1276 0.071,1277 8.745,1278 3.823,1279 8.03,1280 0.102,1281 0.036,1282 8.03,1283 2.851,1284 6.725,1285 0.066,1286 0.019,1287 6.725,1288 1.94,1289 0.37,1290 67.063,1291 0.244,1292 20.862,1293 0.766,1294 124,1295 363.508,1296 134.176,1297 361.145,1298 498.48,1299 334,1300 153,1301 382.769,1302 163.621,1303 388.674,1304 569.2,1305 366,1306 5.377} {0 CHEMBL604270,1 1.761,2 9.16,3 3.147,4 9.9,5 95.485,6 10.763,7 0.571,8 3.762,9 3.847,10 3.63,11 3.399,12 5.024,13 3.399,14 4.232,15 4.337,16 4.096,17 3.81,18 5.535,19 3.797,20 4.459,21 4.588,22 4.142,23 3.89,24 5.796,25 3.868,26 4.461,27 4.618,28 4.107,29 3.847,30 5.769,31 3.816,32 4.409,33 4.535,34 4.217,35 3.732,36 5.935,37 3.738,38 4.335,39 4.501,40 3.794,41 3.646,42 5.63,43 3.613,44 4.261,45 4.418,46 3.878,47 3.58,48 5.601,49 3.545,50 4.191,51 4.369,52 3.986,53 3.454,54 5.596,55 3.361,56 0.125,57 0.515,58 2.648,59 2.864,60 13.037,61 2.741,62 0.232,63 0.822,64 5.817,65 5.001,66 21.878,67 5.385,68 0.445,69 1.01,70 18.097,71 6.647,72 55.073,73 5.888,74 0.383,75 1.012,76 16.46,77 7.031,78 41.192,79 7.46,80 0.562,81 0.914,82 13.554,83 6.301,84 74.622,85 5.718,86 0.427,87 0.873,88 11.466,89 6.062,90 57.01,91 6.323,92 0.404,93 0.813,94 9.762,95 5.49,96 45.156,97 5.435,98 0.491,99 0.716,100 14.99,101 5.869,102 67.657,103 5.917,104 28,105 42,106 0.31,107 0.719,108 0.822,109 0.896,110 0.896,111 0.896,112 3.268,113 0.888,114 -3.45,115 -3.43,116 -3.28,117 1,119 48.6,120 1,133 6,134 3,135 3,143 1,144 1,146 2,147 1,159 5,162 5,164 1,165 1,166 7,168 7,171 1,172 5,176 5,178 8,182 5,185 2,187 3,190 6,194 7,197 2,198 1,199 3,202 6,206 3,209 1,210 1,211 4,213 6,217 1,220 2,222 4,224 5,228 1,229 1,232 1,234 5,237 4,241 1,242 2,247 1,250 3,255 885,256 16.533,257 16.533,258 16.533,259 16.533,260 16.533,261 14.194,262 18.688,263 9.421,264 16.838,265 13.827,266 13.827,267 13.827,268 13.827,269 13.827,270 10.128,271 24.727,272 4.509,273 14.392,274 3.448,275 1.129,276 0.548,277 0.129,278 0.129,279 0.129,280 3.96,284 1,285 497,286 3,288 92.711,289 119.972,291 178.336,295 1.392,296 33.809,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 54.25,307 229,308 4.753,309 3.757,310 7.042,311 4.343,312 3.358,313 4.653,314 1.907,315 12.079,316 3.309,317 4.455,318 3.534,319 6.564,320 4.024,321 3.041,322 4.153,323 0.6,324 10.353,325 2.989,326 3.915,327 3.219,328 5.821,329 3.53,330 2.56,331 3.396,332 0.149,333 7.908,334 2.477,335 3.736,336 2.892,337 5.397,338 3.29,339 2.344,340 3.129,342 6.989,343 2.226,344 3.479,345 2.58,346 5.194,347 3.036,348 2.09,349 2.781,351 5.962,352 1.972,353 3.308,354 2.493,355 4.954,356 2.857,357 1.904,358 2.543,360 5.591,361 1.79,362 3.222,363 2.157,364 4.828,365 2.792,366 1.792,367 2.424,369 5.074,370 1.673,371 3.075,372 2.02,373 4.6,374 2.607,375 1.66,376 2.27,378 4.469,379 1.55,380 2.929,381 1.55,382 4.389,383 2.388,384 1.413,385 2.062,386 4.239,387 1.361,388 2.409,389 1.292,390 3.649,391 1.841,392 0.821,393 1.235,394 2.085,395 0.827,396 2.078,397 0.779,398 3.387,399 1.539,400 0.584,401 0.844,402 1.541,403 0.546,404 1.38,405 0.668,406 2.816,407 0.999,408 0.057,409 0.07,411 0.146,412 0.049,413 1.199,414 0.457,415 2.611,416 0.716,417 -0.218,418 -0.287,420 -0.557,421 -0.158,422 0.81,423 0.163,424 2.391,425 0.38,426 -0.524,427 -0.635,429 -1.341,430 -0.441,431 0.693,432 -0.07,433 2.371,434 0.207,435 -0.774,436 -1.039,438 -2,439 -0.642,440 12.533,441 0.501,442 0.822,443 0.033,444 36.25,445 1.45,446 20,447 0.8,448 16.25,449 0.65,450 18.902,451 0.756,452 24.667,453 0.667,454 25.981,455 1.039,456 6.952,457 0.278,458 4.983,459 0.199,460 0.226,462 0.439,466 0.788,467 1.013,468 0.47,469 0.652,470 0.679,471 0.664,472 0.54,473 1.136,474 0.537,475 0.782,476 0.529,477 0.779,478 1.198,479 1.015,480 0.996,481 0.929,482 1.113,483 0.941,484 0.868,485 1.032,486 0.718,487 0.918,488 0.811,489 0.927,490 1.17,491 1.062,492 0.702,493 0.973,494 1.293,495 0.937,496 1.093,497 0.944,498 0.391,499 0.773,500 1.19,501 0.934,502 1.118,503 1.068,504 0.624,505 0.872,506 1.087,507 0.999,508 0.903,509 1.02,510 1.074,511 1.116,512 0.938,513 1.171,514 6,515 0.062,516 2.889,517 2.806,518 1.712,519 1.167,520 0.608,521 0.53,522 0.209,523 0.164,524 6504,525 23012,526 2.081,527 32.4,529 6,532 3,533 3,536 1.685,537 1.899,538 3.179,539 1.005,540 1,541 1,545 65.162,546 1.761,547 4.08,548 4.662,549 5.081,550 5.081,551 5.081,552 2.668,553 4.404,554 4.613,555 3.304,556 991.174,557 8.006,558 11447.9,560 1,562 1,563 192.75,564 1.516,565 4.552,566 0.214,567 0.008,568 0.069,569 0.067,570 0.043,571 0.031,572 0.02,573 0.018,574 0.01,575 0.012,576 0.491,577 0.5,578 1,579 1.022,580 117.961,581 -0.134,582 0.037,583 -0.01,584 0.087,585 -0.119,586 0.083,587 0.113,588 -0.113,589 0.033,590 0.011,591 0.059,592 0.039,593 -0.227,594 0.025,595 -0.123,596 -0.032,597 -0.162,598 -0.082,599 -0.004,600 -0.033,601 -0.002,602 -0.032,603 0.02,604 0.015,605 0.064,606 -0.075,607 0.055,608 -0.082,609 0.012,610 -0.061,611 -0.087,612 0.031,613 0.023,614 0.052,615 -0.121,616 0.014,617 -0.073,618 -0.061,619 0.011,620 -0.006,621 -0.088,622 -0.077,623 0.159,624 -0.079,625 0.085,626 -0.06,627 0.123,628 -0.116,629 1.919,630 5.76,631 0.72,632 19.536,633 1.025,634 1.109,635 2.22,636 4.93,637 0.744,638 3.367,639 3.761,640 4.078,641 4.443,642 4.7,643 4.844,644 5.063,645 5.226,646 5.226,647 5.283,648 5.438,649 0.726,650 398.23,651 3.367,652 4.949,653 5.832,654 6.756,655 7.664,656 8.594,657 9.514,658 10.447,659 11.374,660 12.308,661 8.1,668 1,669 1,670 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,696 1,698 1,699 37,700 19,701 2,702 28,703 1,704 40,705 18,706 14,707 6,708 6,709 2,710 4,711 6,715 1,721 17,722 1,724 3,728 2,730 1,731 3,733 1,736 12,737 5,738 3,739 7,740 1,743 3,747 0.5,748 3,756 1,759 2,760 2,762 2,766 1,777 2,780 1,781 1,785 25,788 1,790 1,800 1,801 8.1,803 1,804 2,808 13.167,809 7.126,810 5.278,811 2.095,812 3.811,813 1.495,814 1.024,815 3.746,816 11.515,817 3.689,818 4.379,819 5.036,820 5.729,821 6.315,822 6.728,823 7.237,824 7.719,825 7.983,826 8.367,827 1,828 42,829 9.253,831 4.15,832 8.023,833 17.08,835 14.352,837 2.523,838 63.083,842 105.94,843 97.934,844 97.536,846 92.973,849 143.889,850 198.913,851 51.582,852 8.825,853 18.011,854 56.857,855 105.568,856 51.084,857 2.144,858 105.94,859 45.954,860 105.94,861 149.516,862 92.973,864 45.954,865 105.94,866 92.973,869 60.407,870 89.109,872 45.954,873 105.94,874 144.555,875 143.889,878 105.94,879 32.252,880 65.683,881 80.75,882 109.759,883 105.94,884 144.555,885 143.889,887 0.599,888 0.345,889 0.2,890 0.115,891 23,892 11,893 0.05,894 2,895 2,896 1.222,897 3.567,898 223.513,899 0.222,900 18,901 116.096,904 16.062,905 5.83,906 2.676,907 1.261,908 127.769,909 10.419,911 2.844,914 2.61,916 77.48,917 394.383,918 39,922 24.037,924 4.397,925 -0.276,926 37.934,927 41.041,928 0.338,929 0.783,930 0.895,931 0.975,932 0.975,933 0.975,934 4.956,935 1.66,936 5.861,937 5.074,938 4.443,939 5.066,940 2.05,941 6.746,942 4.375,943 6.219,944 1.413,945 7.466,946 4.469,947 4.205,948 5.066,949 1.593,950 7.766,951 4.101,952 7.566,953 0.821,954 9.167,955 4.239,956 6.107,957 7.373,958 2.918,959 10.924,960 5.999,961 8.949,962 0.584,963 10.925,964 2.085,965 6.648,966 8.168,967 3.032,968 12.795,969 6.525,970 10.362,971 0.057,972 12.721,973 1.541,974 8.084,975 9.996,976 4.039,977 15.494,978 7.952,979 11.799,980 -0.218,981 14.544,982 0.146,983 8.985,984 11.174,985 4.409,986 17.725,987 8.845,988 13.255,989 -0.524,990 16.389,991 -0.557,992 10.251,993 12.812,994 5.251,995 20.27,996 10.101,997 3.358,998 -0.774,999 18.252,1000 -1.341,1001 11.316,1002 14.174,1003 5.75,1004 22.646,1005 11.157,1006 3.041,1007 12.079,1008 20.129,1009 -2,1010 12.524,1011 15.736,1012 6.501,1013 25.141,1014 12.353,1015 2.56,1016 10.353,1017 22.017,1018 4.653,1019 13.659,1020 17.184,1021 7.068,1022 27.576,1023 13.478,1024 2.344,1025 7.908,1026 23.914,1027 4.153,1028 14.851,1029 18.718,1030 7.771,1031 30.057,1032 14.657,1033 2.09,1034 6.989,1035 25.819,1036 3.396,1037 16.018,1038 20.206,1039 8.374,1040 32.517,1041 15.812,1042 1.904,1043 5.962,1044 27.731,1045 3.129,1046 17.208,1047 21.731,1048 9.051,1049 34.995,1050 16.989,1051 1.792,1052 5.591,1053 29.648,1054 2.781,1055 18.39,1056 23.238,1057 9.674,1058 37.467,1059 18.158,1060 6287,1061 11925,1062 18.323,1063 27.54,1064 44.076,1065 45.583,1066 45.65,1067 43.435,1068 43.247,1069 59.121,1070 5.312,1071 132.873,1072 41.54,1073 5.599,1074 5.757,1075 6.343,1076 5.383,1077 5.358,1078 7.653,1079 3.306,1080 19.784,1081 5.309,1082 14.051,1083 1.574,1084 1.628,1085 1.63,1086 1.551,1087 1.545,1088 2.111,1089 0.19,1090 4.745,1091 1.484,1092 4.159,1093 4.184,1094 6.88,1095 4.072,1096 7.431,1097 4.083,1098 3.955,1099 3.975,1100 4.129,1101 3.899,1102 7.427,1103 3.894,1104 3.62,1105 3.665,1106 3.878,1107 3.436,1108 6.473,1109 3.452,1110 3.412,1111 3.439,1112 3.544,1113 3.275,1114 4.918,1115 3.282,1116 3.274,1117 3.313,1118 3.286,1119 3.102,1120 4.775,1121 3.11,1122 2.936,1123 2.989,1124 3.155,1125 2.814,1126 4.329,1127 2.802,1128 2.886,1129 2.936,1130 2.833,1131 2.804,1132 4.186,1133 2.779,1134 2.693,1135 2.776,1136 2.699,1137 2.404,1138 3.808,1139 2.412,1140 0.17,1141 0.134,1142 0.252,1143 0.155,1144 0.12,1145 4.753,1146 0.166,1147 3.757,1148 0.068,1149 7.042,1150 0.431,1151 4.343,1152 0.118,1153 3.358,1154 4.653,1155 1.907,1156 12.079,1157 3.309,1158 1.942,1159 1.921,1160 2.018,1161 2.034,1162 1.169,1163 2.03,1164 1.863,1165 1.849,1166 1.913,1167 1.919,1168 1.071,1169 1.931,1170 1.578,1171 1.555,1172 1.707,1173 1.775,1174 0.732,1175 1.732,1176 1.459,1177 1.407,1178 1.628,1179 1.716,1180 0.704,1181 1.706,1182 1.178,1183 1.144,1184 1.313,1185 1.432,1186 0.341,1187 1.396,1188 0.968,1189 0.929,1190 1.151,1191 1.16,1192 0.237,1193 1.157,1194 0.863,1195 0.841,1196 1.072,1197 1.031,1198 0.099,1199 1.05,1200 0.778,1201 0.713,1202 0.917,1203 0.984,1204 0.074,1205 0.987,1206 4.043,1208 5.416,1209 3.045,1210 6.971,1211 5.533,1212 8.615,1213 7.727,1214 10.311,1215 3.349,1216 1.415,1221 10.334,1223 2.694,1231 26.868,1232 65.162,1233 150.975,1234 172.485,1235 187.995,1236 187.995,1237 187.995,1238 47.954,1239 7.704,1240 95.08,1241 95.08,1242 22,1243 12.808,1244 4.322,1245 3.585,1246 35.741,1247 79,1248 85,1249 0.224,1250 168.87,1251 290.07,1252 403.804,1253 21760,1254 2.7,1255 17.715,1256 0.709,1257 0.586,1258 18.715,1259 14.639,1260 11.936,1261 0.426,1262 0.296,1263 7.451,1264 10.963,1265 7.226,1266 5.942,1267 12.513,1268 8.287,1269 11.624,1270 0.277,1271 0.158,1272 12.44,1273 6.657,1274 9.518,1275 0.164,1276 0.077,1277 10.042,1278 4.48,1279 8.614,1280 0.103,1281 0.039,1282 9.052,1283 3.315,1284 7.221,1285 0.066,1286 0.021,1287 7.842,1288 2.324,1289 0.339,1290 82.942,1291 0.234,1292 23.662,1293 0.652,1294 140,1295 444.586,1296 218.565,1297 469.164,1298 627.71,1299 434,1300 170,1301 437.36,1302 210.295,1303 455.982,1304 673.31,1305 430,1306 5.137} {0 CHEMBL604470,1 1.97,2 8.615,3 5.722,4 32.736,5 102.336,6 14.12,7 0.69,8 3.723,9 3.792,10 3.807,11 3.37,12 5.124,13 3.38,14 4.162,15 4.225,16 4.295,17 3.825,18 5.619,19 3.815,20 4.418,21 4.518,22 4.461,23 3.949,24 5.767,25 3.924,26 4.509,27 4.629,28 4.527,29 3.927,30 5.918,31 3.907,32 4.436,33 4.543,34 4.634,35 3.764,36 5.996,37 3.802,38 4.334,39 4.444,40 4.324,41 3.649,42 5.969,43 3.67,44 4.24,45 4.345,46 4.253,47 3.554,48 5.919,49 3.541,50 4.053,51 4.189,52 4.314,53 3.355,54 5.638,55 3.303,56 0.282,57 0.503,58 3.64,59 2.299,60 22.857,61 1.707,62 0.407,63 0.76,64 7.589,65 3.941,66 56.097,67 3.358,68 0.557,69 0.974,70 27.958,71 6.369,72 53.613,73 5.006,74 0.759,75 1.044,76 26.954,77 7.194,78 86.596,79 5.61,80 0.798,81 0.946,82 20.891,83 6.894,84 91.222,85 4.694,86 0.757,87 0.849,88 23.705,89 6.073,90 85.772,91 4.602,92 0.816,93 0.743,94 15.705,95 5.539,96 115.272,97 3.512,98 0.64,99 0.571,100 17.844,101 5.627,102 80.754,103 4.559,104 41,105 44,106 0.349,107 0.707,108 0.81,109 0.891,110 0.891,111 0.891,112 3.306,113 0.913,114 -4.41,115 -4.34,116 -4.09,117 2,119 47.1,133 5,134 3,135 4,143 3,144 1,155 3,159 4,161 1,162 3,165 1,166 6,168 7,172 8,174 1,176 7,178 7,182 8,185 1,186 2,187 2,190 6,194 9,197 3,199 5,202 4,206 3,209 6,211 6,213 4,216 1,217 3,220 4,222 2,224 4,228 3,229 6,234 2,237 5,241 2,242 5,250 2,255 938,256 17.248,257 17.248,258 17.248,259 17.248,260 17.248,261 14.545,262 15.848,263 9.664,264 17.811,265 14.227,266 14.227,267 14.227,268 14.227,269 14.227,270 9.993,271 14.811,272 4.481,273 15.222,274 3.118,275 1.095,276 0.518,277 0.059,278 0.059,279 0.059,280 3.995,285 483,286 3.082,288 94.547,289 123.526,291 183.146,295 1.231,296 38.732,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 57.5,307 224,308 4.81,309 3.789,310 7.093,311 4.36,312 3.389,313 4.787,314 2.612,315 12.302,316 3.29,317 4.571,318 3.457,319 6.667,320 4.07,321 3.106,322 4.53,323 0.894,324 10.749,325 2.989,326 4.164,327 3.225,328 6.106,329 3.656,330 2.698,331 3.807,333 8.73,334 2.581,335 3.872,336 2.879,337 5.829,338 3.364,339 2.435,340 3.394,342 7.798,343 2.238,344 3.616,345 2.745,346 5.415,347 3.103,348 2.218,349 3.035,351 6.516,352 1.931,353 3.362,354 2.428,355 4.983,356 2.849,357 1.928,358 2.71,360 5.743,361 1.684,362 3.213,363 2.099,364 4.966,365 2.695,366 1.764,367 2.504,369 5.294,370 1.614,371 3.045,372 1.915,373 4.806,374 2.548,375 1.62,376 2.265,378 4.918,379 1.437,380 2.885,381 1.795,382 4.199,383 2.223,384 1.242,385 1.996,386 3.314,387 1.212,388 2.58,389 1.61,390 3.823,391 2.014,392 1.046,393 1.497,394 2.587,395 0.999,396 2.222,397 1.069,398 3.579,399 1.639,400 0.733,401 1.065,402 1.959,403 0.615,404 1.961,405 1,406 2.932,407 1.267,408 0.319,409 0.497,411 0.576,412 0.282,413 1.278,414 0.779,415 2.717,416 0.801,417 -0.084,418 -0.11,420 -0.197,421 -0.062,422 1.037,423 0.413,424 2.582,425 0.482,426 -0.364,427 -0.49,429 -0.84,430 -0.216,431 1,432 0.133,433 2.417,434 0.269,435 -0.595,436 -0.743,438 -1.56,439 -0.409,440 13.6,441 0.523,442 0.857,443 0.033,444 38.5,445 1.481,446 21.5,447 0.827,448 17,449 0.654,450 21.686,451 0.834,452 25.4,453 0.747,454 27.222,455 1.047,456 7.184,457 0.276,458 5.217,459 0.201,460 0.294,462 0.434,466 0.571,467 0.802,468 0.46,469 0.442,470 0.571,471 0.519,472 0.489,473 1.105,474 0.563,475 0.681,476 0.382,477 0.766,478 0.818,479 1.185,480 0.965,481 1.047,482 0.609,483 1.086,484 1.012,485 1.082,486 0.883,487 0.927,488 0.966,489 1.016,490 1.123,491 1.096,492 0.885,493 1.078,494 1.141,495 0.935,496 0.953,497 0.986,498 0.816,499 0.993,500 1.039,501 1.021,502 1.311,503 0.879,504 0.91,505 0.845,506 1.353,507 1.03,508 1.075,509 0.828,510 1.094,511 1.035,512 1.339,513 1.024,514 6,515 0.085,516 3.556,517 2.868,518 2.273,519 1.4,520 0.776,521 0.536,522 0.328,523 0.135,524 6753,525 30592,526 2.055,527 23.5,529 5,532 3,536 1.699,537 1.857,538 3.1,539 1.088,545 66.974,546 1.97,547 3.993,548 4.57,549 5.029,550 5.029,551 5.029,552 2.484,553 4.316,554 4.673,555 3.211,556 1043.44,557 8.141,558 12285.2,563 172.974,564 1.526,565 4.598,566 0.207,567 0.012,568 0.081,569 0.061,570 0.049,571 0.032,572 0.02,573 0.017,574 0.014,575 0.01,576 0.504,577 0.33,578 0.88,579 0.954,580 123.116,581 0.089,582 0.278,583 -0.008,584 0.185,585 -0.014,586 0.129,587 0.126,588 -0.113,589 -0.003,590 0.004,591 0.164,592 -0.045,593 -0.112,594 -0.188,595 -0.106,596 -0.184,597 -0.02,598 -0.196,599 -0.13,600 -0.081,601 -0.051,602 -0.026,603 -0.121,604 -0.048,605 -0.064,606 -0.092,607 0.019,608 -0.135,609 -0.112,610 0.011,611 0.103,612 0.013,613 -0.039,614 -0.099,615 0.038,616 -0.072,617 -0.112,618 0.099,619 -0.058,620 0.11,621 -0.09,622 -0.071,623 0.085,624 0.052,625 0.077,626 0.121,627 -0.083,628 0.206,629 2.529,630 4.504,631 0.692,632 19.16,633 1.054,634 1.111,635 3.177,636 10.091,637 0.789,638 3.401,639 3.807,640 4.159,641 4.522,642 4.812,643 4.99,644 5.165,645 5.323,646 5.361,647 5.394,648 5.233,649 0.782,650 480.08,651 3.401,652 4.99,653 5.889,654 6.821,655 7.745,656 8.683,657 9.617,658 10.557,659 11.494,660 12.436,661 11.8,669 2,672 1,673 1,674 4,675 5,677 2,680 7,682 20,693 1,694 1,696 1,698 2,699 34,700 23,701 2,702 29,703 2,704 37,705 16,706 16,707 7,708 5,710 4,711 6,721 16,724 3,726 1,728 3,730 1,736 8,737 5,738 3,739 10,740 2,743 4,747 0.5,748 4,756 2,759 2,760 2,762 2,777 2,780 2,785 26,788 1,800 2,801 11.8,803 1,804 1,807 2,808 14,809 6.302,810 5.583,811 1.849,812 4.38,813 1.563,814 1.025,815 4.196,816 12.165,817 3.761,818 4.505,819 5.215,820 5.942,821 6.574,822 7.094,823 7.625,824 8.134,825 8.492,826 8.902,827 0.833,828 47,829 9.577,831 4.35,832 8.224,833 17.354,835 14.639,837 2.724,838 70.833,842 58.856,843 74.381,844 150.433,846 118.804,849 166.29,850 177.659,851 58.525,852 5.67,854 47.381,855 68.057,856 53.526,857 26.329,858 58.856,859 142.655,860 58.856,861 132.906,862 118.804,864 91.908,865 58.856,866 68.057,867 50.747,869 33.571,870 74.381,871 24.954,872 91.908,873 58.856,874 177.328,875 166.29,878 58.856,879 27,880 53.051,881 125.479,882 138.087,883 58.856,884 177.328,885 166.29,887 0.6,888 0.366,889 0.209,890 0.125,891 24,892 12,893 0.081,894 3,895 2,896 1.222,897 3.54,898 241.439,899 0.222,900 18,901 120.211,904 17.366,905 6.282,906 2.717,907 2.081,908 138.087,909 7.969,911 5.846,914 1.446,916 76.254,917 402.474,918 42,920 -0.529,922 33.871,924 3.111,926 35.825,927 37.76,928 0.387,929 0.785,930 0.898,931 0.988,932 0.988,933 0.988,934 5.024,935 1.62,936 5.927,937 5.294,938 4.489,939 5.193,940 2.625,941 6.841,942 4.368,943 6.307,944 1.242,945 7.553,946 4.918,947 4.29,948 5.301,949 2.361,950 7.919,951 4.083,952 7.672,953 1.046,954 9.276,955 3.314,956 6.184,957 7.602,958 4.174,959 11.079,960 5.993,961 9.077,962 0.733,963 11.053,964 2.587,965 6.77,966 8.51,967 4.506,968 12.981,969 6.523,970 10.511,971 0.319,972 12.865,973 1.959,974 8.195,975 10.325,976 5.951,977 15.683,978 7.951,979 11.969,980 -0.084,981 14.702,982 0.576,983 9.125,984 11.59,985 6.556,986 17.931,987 8.842,988 13.444,989 -0.364,990 16.558,991 -0.197,992 10.388,993 13.229,994 7.795,995 20.483,996 10.094,997 3.389,998 -0.595,999 18.429,1000 -0.84,1001 11.469,1002 14.651,1003 8.548,1004 22.873,1005 11.143,1006 3.106,1007 12.302,1008 20.312,1009 -1.56,1010 12.678,1011 16.226,1012 9.67,1013 25.378,1014 12.333,1015 2.698,1016 10.749,1017 22.204,1018 4.787,1019 13.824,1020 17.717,1021 10.509,1022 27.827,1023 13.45,1024 2.435,1025 8.73,1026 24.105,1027 4.53,1028 15.02,1029 19.27,1030 11.563,1031 30.321,1032 14.622,1033 2.218,1034 7.798,1035 26.013,1036 3.807,1037 16.195,1038 20.793,1039 12.452,1040 32.795,1041 15.768,1042 1.928,1043 6.516,1044 27.927,1045 3.394,1046 17.39,1047 22.34,1048 13.468,1049 35.288,1050 16.937,1051 1.764,1052 5.743,1053 29.846,1054 3.035,1055 18.579,1056 23.876,1057 14.386,1058 37.775,1059 18.098,1060 6583,1061 14116,1062 18.729,1063 26.83,1064 45.844,1065 48.153,1066 48.172,1067 45.399,1068 44.997,1069 64.171,1070 7.014,1071 140.971,1072 41.744,1073 5.506,1074 5.789,1075 6.596,1076 5.401,1077 5.389,1078 7.787,1079 4.612,1080 20.045,1081 5.29,1082 15.608,1083 1.581,1084 1.66,1085 1.661,1086 1.565,1087 1.552,1088 2.213,1089 0.242,1090 4.861,1091 1.439,1092 4.212,1093 4.238,1094 6.882,1095 4.129,1096 7.815,1097 4.137,1098 4.04,1099 4.066,1100 6.879,1101 3.966,1102 7.529,1103 3.964,1104 3.699,1105 3.725,1106 4.156,1107 3.456,1108 6.999,1109 3.471,1110 3.419,1111 3.449,1112 3.959,1113 3.246,1114 6.473,1115 3.27,1116 3.173,1117 3.188,1118 3.679,1119 3.018,1120 4.968,1121 2.989,1122 3.051,1123 3.103,1124 3.245,1125 2.869,1126 4.799,1127 2.859,1128 2.883,1129 2.924,1130 3.039,1131 2.621,1132 4.293,1133 2.694,1134 2.756,1135 2.803,1136 2.929,1137 2.386,1138 4.057,1139 2.437,1140 0.166,1141 0.131,1142 0.245,1143 0.15,1144 0.117,1145 4.81,1146 0.165,1147 3.789,1148 0.09,1149 7.093,1150 0.424,1151 4.36,1152 0.113,1153 3.389,1154 4.787,1155 2.612,1156 12.302,1157 3.29,1158 1.955,1159 1.941,1160 1.98,1161 2.088,1162 1.186,1163 2.051,1164 1.923,1165 1.905,1166 1.972,1167 1.993,1168 1.142,1169 1.998,1170 1.629,1171 1.599,1172 1.674,1173 1.82,1174 0.81,1175 1.781,1176 1.318,1177 1.276,1178 1.399,1179 1.726,1180 0.403,1181 1.622,1182 1.136,1183 1.114,1184 1.205,1185 1.462,1186 0.268,1187 1.391,1188 1.017,1189 0.982,1190 1.118,1191 1.24,1192 0.234,1193 1.207,1194 0.82,1195 0.784,1196 0.963,1197 0.999,1198 0.062,1199 1.024,1200 0.724,1201 0.666,1202 0.937,1203 0.955,1205 0.963,1206 4.078,1208 5.46,1209 3.045,1210 7.033,1211 5.533,1212 8.697,1213 7.743,1214 10.413,1215 6.616,1221 10.422,1231 26.576,1232 66.974,1233 135.754,1234 155.364,1235 170.974,1236 170.974,1237 170.974,1238 56.99,1239 7.784,1240 127.06,1241 127.06,1242 22,1243 12.931,1244 4.585,1245 3.807,1246 37.699,1247 80,1248 82,1249 0.236,1250 172.39,1251 283.64,1252 412.392,1253 23311,1254 5.9,1255 18.585,1256 0.715,1257 0.611,1258 20.585,1259 15.881,1260 12.401,1261 0.428,1262 0.304,1263 7.218,1264 10.696,1265 7.031,1266 5.738,1267 13.556,1268 8.825,1269 11.885,1270 0.27,1271 0.167,1272 13.443,1273 7.356,1274 10.219,1275 0.162,1276 0.083,1277 11.408,1278 5.229,1279 9.031,1280 0.099,1281 0.043,1282 10.156,1283 3.918,1284 7.8,1285 0.064,1286 0.023,1287 9.171,1288 2.815,1289 0.352,1290 95.707,1291 0.231,1292 24.161,1293 0.706,1294 146,1295 530.621,1296 293.067,1297 584.934,1298 760.36,1299 534,1300 180,1301 513.756,1302 258.896,1303 537.076,1304 784.57,1305 503,1306 5} {0 CHEMBL605926,1 1.851,2 7.917,3 3.921,4 15.37,5 89.728,6 12.068,7 0.593,8 3.656,9 3.721,10 3.61,11 3.297,12 5.022,13 3.316,14 4.108,15 4.173,16 4.078,17 3.727,18 5.607,19 3.737,20 4.335,21 4.44,22 4.249,23 3.808,24 5.768,25 3.814,26 4.378,27 4.494,28 4.297,29 3.767,30 5.834,31 3.766,32 4.251,33 4.338,34 4.331,35 3.562,36 5.938,37 3.622,38 4.114,39 4.209,40 3.956,41 3.46,42 5.662,43 3.488,44 4.072,45 4.172,46 4.004,47 3.36,48 5.849,49 3.378,50 3.898,51 4.059,52 3.516,53 3.102,54 5.558,55 3.042,56 0.23,57 0.452,58 0.617,59 2.281,60 22.224,61 1.819,62 0.359,63 0.697,64 0.296,65 3.884,66 56.528,67 3.341,68 0.491,69 0.871,70 9.764,71 5.541,72 57.144,73 4.657,74 0.632,75 0.888,76 11.87,77 6.199,78 90.717,79 4.926,80 0.684,81 0.755,82 15.084,83 5.569,84 92.504,85 3.704,86 0.539,87 0.669,88 8.912,89 4.472,90 72.196,91 3.353,92 0.658,93 0.63,94 5.003,95 4.322,96 91.872,97 3.027,98 0.561,99 0.507,100 7.239,101 4.371,102 106.394,103 4.165,104 27,105 41,106 0.333,107 0.703,108 0.79,109 0.878,110 0.889,111 0.889,112 3.231,113 0.853,114 -3.99,115 -3.94,116 -3.74,117 1,119 50,133 6,134 3,135 3,143 1,144 1,146 2,155 2,159 6,161 1,162 6,165 1,166 3,168 7,171 1,172 10,176 4,178 5,182 9,185 2,187 1,190 6,194 6,197 3,199 4,202 5,205 1,206 2,209 3,211 4,213 4,216 3,217 3,220 2,222 4,224 4,228 2,229 4,237 4,242 6,250 4,255 752,256 15.93,257 15.93,258 15.93,259 15.93,260 15.93,261 13.474,262 16.801,263 8.988,264 16.238,265 13.296,266 13.296,267 13.296,268 13.296,269 13.296,270 9.462,271 21.411,272 4.24,273 13.854,274 3.149,275 1.094,276 0.61,277 0.125,278 0.063,279 0.063,280 3.921,283 1,284 1,285 414,286 2.828,288 84.84,289 112.136,291 165.42,295 1.181,296 40.145,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 53.25,307 190,308 4.786,309 3.794,310 7.074,311 4.358,312 3.379,313 4.728,314 2.612,315 12.198,316 3.313,317 4.483,318 3.747,319 6.619,320 4.058,321 3.079,322 4.143,323 0.6,324 10.522,325 3.006,326 4.152,327 3.308,328 6.097,329 3.648,330 2.685,331 3.791,333 8.691,334 2.579,335 3.826,336 2.827,337 5.826,338 3.326,339 2.39,340 3.315,342 7.773,343 2.228,344 3.431,345 2.622,346 5.318,347 2.973,348 1.997,349 2.744,351 6.071,352 1.913,353 3.211,354 2.154,355 4.978,356 2.695,357 1.761,358 2.501,360 5.291,361 1.628,362 3.121,363 2.073,364 4.803,365 2.62,366 1.664,367 2.28,369 4.954,370 1.55,371 2.909,372 1.795,373 4.202,374 2.361,375 1.383,376 2.042,378 3.375,379 1.333,380 2.805,381 1.46,382 3.79,383 2.215,384 1.23,385 1.908,386 2.949,387 1.208,388 2.431,389 1.311,390 3.601,391 1.881,392 0.891,393 1.308,394 2.359,395 0.85,396 2.214,397 1.058,398 3.381,399 1.573,400 0.63,401 0.958,402 1.622,403 0.563,404 1.29,405 1,406 2.827,407 0.848,408 -0.053,409 -0.067,411 -0.14,412 -0.04,413 1.034,414 0.371,415 2.686,416 0.539,417 -0.432,418 -0.59,420 -1.099,421 -0.34,422 1,423 0.105,424 2.389,425 0.261,426 -0.672,427 -0.887,429 -1.666,430 -0.576,431 0.758,432 -0.123,433 2.285,434 0.147,435 -0.822,436 -1.132,438 -2,439 -0.768,440 11.867,441 0.494,442 0.789,443 0.033,444 36.75,445 1.531,446 21,447 0.875,448 15.75,449 0.656,450 16.815,451 0.701,452 23.533,453 0.735,454 26.326,455 1.097,456 7.027,457 0.293,458 4.442,459 0.185,460 0.225,462 0.455,466 0.58,467 0.853,468 0.454,469 0.547,470 0.615,471 0.591,472 0.508,473 1.104,474 0.546,475 0.772,476 0.464,477 0.804,478 0.829,479 1.131,480 0.903,481 0.999,482 0.7,483 0.96,484 1.103,485 1.035,486 1.088,487 1.007,488 1.087,489 0.992,490 1.134,491 1.045,492 1.178,493 1.228,494 1.189,495 0.96,496 1.148,497 1.012,498 0.936,499 1.038,500 1.289,501 1.057,502 1.014,503 0.949,504 0.903,505 0.958,506 1.038,507 1.058,508 1.002,509 0.883,510 0.773,511 0.882,512 1.008,513 1.169,514 5,515 0.04,516 3.333,517 2.806,518 1.877,519 1.157,520 0.651,521 0.395,522 0.214,523 0.087,524 5595,525 22306,526 2.085,527 25,529 6,532 2,536 1.676,537 1.895,538 3.012,539 0.378,541 1,545 59.245,546 1.851,547 3.906,548 4.39,549 4.875,550 4.938,551 4.938,552 2.44,553 4.137,554 4.559,555 3.13,556 863.774,557 7.905,558 9611.9,560 1,562 1,563 160,564 1.516,565 4.49,566 0.185,567 0.01,568 0.081,569 0.065,570 0.047,571 0.031,572 0.021,573 0.015,574 0.013,575 0.009,576 0.478,577 0.5,578 1,579 0.854,580 110.4,581 0.056,582 0.183,583 -0.008,584 0.153,585 -0.068,586 0.098,587 0.127,588 -0.123,589 0.002,590 -0.025,591 0.133,592 -0.061,593 -0.065,594 -0.136,595 -0.03,596 -0.103,597 -0.005,598 -0.055,599 -0.163,600 -0.052,601 -0.033,602 -0.017,603 -0.154,604 -0.018,605 0.024,606 -0.062,607 0.021,608 -0.202,609 -0.03,610 -0.054,611 -0.083,612 -0.027,613 -0.074,614 -0.118,615 -0.195,616 -0.17,617 0.166,618 0.044,619 0.02,620 0.003,621 0.135,622 -0.136,623 0.1,624 -0.007,625 0.064,626 0.158,627 0.176,628 0.068,629 2.537,630 5.593,631 0.75,632 16.611,633 1.047,634 1.107,635 2.762,636 7.631,637 0.765,638 3.332,639 3.738,640 4.094,641 4.443,642 4.71,643 4.868,644 5.056,645 5.176,646 5.193,647 5.236,648 4.969,649 0.767,650 386.17,651 3.332,652 4.92,653 5.82,654 6.749,655 7.672,656 8.606,657 9.537,658 10.474,659 11.409,660 12.348,661 9.4,669 1,670 1,672 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,694 1,696 1,698 1,699 32,700 20,701 2,702 27,703 1,704 35,705 16,706 14,707 6,708 6,709 2,710 4,711 6,721 16,724 4,726 1,728 3,730 1,731 2,733 1,736 8,737 5,738 2,739 8,740 1,743 3,747 0.5,748 4,756 1,759 2,760 2,762 2,777 2,780 1,785 24,788 1,800 1,801 12.5,803 1,804 1,807 2,808 12.667,809 5.993,810 5.083,811 1.802,812 3.902,813 1.513,814 1.022,815 3.302,816 11.502,817 3.689,818 4.404,819 5.088,820 5.765,821 6.367,822 6.818,823 7.331,824 7.763,825 8.061,826 8.433,827 1,828 43,829 8.894,831 4.103,832 8.247,833 16.051,835 13.619,837 2.747,838 65.917,842 70.627,843 84.405,844 85.195,846 118.575,849 130.359,850 189.202,851 39.241,852 5.67,854 56.857,855 75.718,856 51.084,857 2.144,858 70.627,859 96.701,860 70.627,861 123.646,862 118.575,864 45.954,865 70.627,866 67.828,867 50.747,869 33.571,870 84.405,871 5.67,872 45.954,873 70.627,874 157.816,875 130.359,878 70.627,879 27.547,880 62.528,881 62.74,882 135.361,883 70.627,884 157.816,885 130.359,887 0.603,888 0.369,889 0.207,890 0.119,891 23,892 11,893 0.057,894 2,895 2,896 1.222,897 3.428,898 215.932,899 0.222,900 18,901 108.039,904 15.059,905 5.262,906 2.205,907 0.813,908 135.361,909 9.475,911 2.739,914 1.109,916 59.469,917 358.802,918 39,920 -0.537,922 34.781,924 4.292,925 -0.267,926 33.495,927 35.42,928 0.37,929 0.781,930 0.878,931 0.975,932 0.988,933 0.988,934 4.956,935 1.383,936 5.855,937 4.954,938 4.419,939 5.091,940 2.559,941 6.767,942 4.345,943 6.23,944 1.23,945 7.482,946 3.375,947 4.205,948 5.139,949 2.361,950 7.842,951 4.083,952 7.591,953 0.891,954 9.207,955 2.949,956 6.111,957 7.442,958 4.159,959 11.008,960 5.989,961 8.989,962 0.63,963 10.988,964 2.359,965 6.698,966 8.297,967 4.506,968 12.907,969 6.544,970 10.419,971 -0.053,972 12.804,973 1.622,974 8.13,975 10.109,976 5.948,977 15.607,978 7.969,979 11.872,980 -0.432,981 14.644,982 -0.14,983 9.064,984 11.329,985 6.556,986 17.845,987 8.88,988 13.343,989 -0.672,990 16.502,991 -1.099,992 10.329,993 12.957,994 7.794,995 20.393,996 10.134,997 3.379,998 -0.822,999 18.375,1000 -1.666,1001 11.411,1002 14.345,1003 8.548,1004 22.772,1005 11.197,1006 3.079,1007 12.198,1008 20.258,1009 -2,1010 12.621,1011 15.905,1012 9.67,1013 25.271,1014 12.392,1015 2.685,1016 10.522,1017 22.151,1018 4.728,1019 13.766,1020 17.37,1021 10.509,1022 27.71,1023 13.519,1024 2.39,1025 8.691,1026 24.051,1027 4.143,1028 14.96,1029 18.909,1030 11.563,1031 30.197,1032 14.697,1033 1.997,1034 7.773,1035 25.958,1036 3.791,1037 16.134,1038 20.411,1039 12.452,1040 32.663,1041 15.853,1042 1.761,1043 6.071,1044 27.87,1045 3.315,1046 17.327,1047 21.945,1048 13.468,1049 35.149,1050 17.029,1051 1.664,1052 5.291,1053 29.787,1054 2.744,1055 18.514,1056 23.466,1057 14.386,1058 37.628,1059 18.198,1060 5399,1061 10904,1062 17.63,1063 24.472,1064 42.963,1065 45.019,1066 44.564,1067 42.397,1068 42.178,1069 59.439,1070 6.425,1071 131.61,1072 40.345,1073 5.631,1074 5.794,1075 6.755,1076 5.397,1077 5.379,1078 7.728,1079 4.612,1080 19.937,1081 5.313,1082 13.263,1083 1.591,1084 1.667,1085 1.651,1086 1.57,1087 1.562,1088 2.201,1089 0.238,1090 4.874,1091 1.494,1092 4.173,1093 4.195,1094 6.881,1095 4.088,1096 7.815,1097 4.095,1098 3.963,1099 3.984,1100 4.115,1101 3.885,1102 7.428,1103 3.889,1104 3.7,1105 3.727,1106 3.915,1107 3.429,1108 6.999,1109 3.462,1110 3.375,1111 3.398,1112 3.686,1113 3.17,1114 6.473,1115 3.211,1116 3.16,1117 3.176,1118 3.298,1119 2.994,1120 4.9,1121 2.973,1122 2.911,1123 2.959,1124 3.028,1125 2.76,1126 4.765,1127 2.755,1128 2.863,1129 2.91,1130 2.806,1131 2.621,1132 4.292,1133 2.692,1134 2.529,1135 2.565,1136 2.645,1137 2.323,1138 4.048,1139 2.319,1140 0.177,1141 0.141,1142 0.262,1143 0.161,1144 0.125,1145 4.786,1146 0.175,1147 3.794,1148 0.097,1149 7.074,1150 0.452,1151 4.358,1152 0.123,1153 3.379,1154 4.728,1155 2.612,1156 12.198,1157 3.313,1158 1.952,1159 1.938,1160 1.976,1161 2.087,1162 1.178,1163 2.048,1164 1.868,1165 1.846,1166 1.973,1167 1.945,1168 1.062,1169 1.955,1170 1.577,1171 1.556,1172 1.613,1173 1.773,1174 0.714,1175 1.727,1176 1.298,1177 1.264,1178 1.355,1179 1.708,1180 0.339,1181 1.6,1182 1.086,1183 1.076,1184 1.184,1185 1.373,1186 0.233,1187 1.312,1188 0.889,1189 0.845,1190 1.063,1191 1.084,1192 0.143,1193 1.072,1194 0.82,1195 0.782,1196 0.963,1197 1.001,1198 0.048,1199 1.029,1200 0.713,1201 0.657,1202 0.929,1203 0.9,1205 0.932,1206 4.007,1208 5.389,1209 3.045,1210 6.963,1211 5.533,1212 8.627,1213 7.735,1214 10.34,1215 3.244,1221 10.266,1231 24.529,1232 59.245,1233 124.98,1234 140.49,1235 156,1236 158,1237 158,1238 52.25,1239 7.6,1240 111.8,1241 111.8,1242 22,1243 12.845,1244 4.392,1245 3.7,1246 33.588,1247 70,1248 65,1249 0.24,1250 153.682,1251 264.26,1252 366.744,1253 18766,1254 3.1,1255 17.008,1256 0.709,1257 0.562,1258 18.008,1259 13.494,1260 11.469,1261 0.425,1262 0.284,1263 6.829,1264 10.433,1265 6.692,1266 5.47,1267 12.047,1268 7.678,1269 11.038,1270 0.269,1271 0.149,1272 11.779,1273 6.117,1274 9.656,1275 0.164,1276 0.076,1277 10.32,1278 4.494,1279 8.447,1280 0.101,1281 0.04,1282 9.133,1283 3.349,1284 7.142,1285 0.065,1286 0.021,1287 7.932,1288 2.279,1289 0.358,1290 81.057,1291 0.238,1292 22.577,1293 0.721,1294 136,1295 485.634,1296 216.473,1297 503.708,1298 665.45,1299 462,1300 168,1301 467.835,1302 217.881,1303 479.806,1304 709.19,1305 451,1306 5} {0 CHEMBL606814,1 1.925,2 8.6,3 4.669,4 21.799,5 97.35,6 14.533,7 0.571,8 3.662,9 3.717,10 3.774,11 3.346,12 5.03,13 3.353,14 4.116,15 4.168,16 4.279,17 3.79,18 5.625,19 3.785,20 4.346,21 4.432,22 4.434,23 3.888,24 5.794,25 3.87,26 4.387,27 4.488,28 4.468,29 3.839,30 5.845,31 3.819,32 4.262,33 4.331,34 4.595,35 3.639,36 5.989,37 3.688,38 4.118,39 4.207,40 4.074,41 3.502,42 5.668,43 3.519,44 4.08,45 4.167,46 4.219,47 3.45,48 5.854,49 3.446,50 3.919,51 4.047,52 4.146,53 3.274,54 5.629,55 3.199,56 0.251,57 0.431,58 4.514,59 2.07,60 24.254,61 1.574,62 0.399,63 0.66,64 8.895,65 3.486,66 59.745,67 2.898,68 0.55,69 0.834,70 29.809,71 5.832,72 58.957,73 4.402,74 0.694,75 0.868,76 27.743,77 6.462,78 95.151,79 4.83,80 0.722,81 0.733,82 19.308,83 5.957,84 89.994,85 3.726,86 0.577,87 0.661,88 14.802,89 4.478,90 75.834,91 3.228,92 0.681,93 0.623,94 10.98,95 4.498,96 93.997,97 2.937,98 0.601,99 0.488,100 17.409,101 4.945,102 106.31,103 4.226,104 38,105 43,106 0.347,107 0.725,108 0.812,109 0.889,110 0.889,111 0.889,112 3.269,113 0.918,114 -4.34,115 -4.28,116 -4.04,117 2,119 50,133 5,134 3,135 4,143 1,144 1,146 2,155 2,159 4,161 1,162 6,165 1,166 3,168 7,171 1,172 10,176 4,178 7,182 7,185 2,187 1,190 6,194 8,197 3,199 4,202 4,205 1,206 2,209 3,211 4,213 4,216 3,217 3,220 2,222 2,224 4,228 2,229 4,234 2,237 5,242 5,250 2,255 844,256 16.378,257 16.378,258 16.378,259 16.378,260 16.378,261 13.897,262 18.445,263 9.127,264 16.849,265 13.779,266 13.779,267 13.779,268 13.779,269 13.779,270 9.873,271 22.087,272 4.323,273 14.66,274 3.075,275 0.976,276 0.488,277 0.063,278 0.063,279 0.063,280 3.957,284 1,285 466,286 2.915,288 90.427,289 118.316,291 175.231,295 1.264,296 41.8,299 1,300 0.83,301 1,302 0.4,304 1,305 0.75,306 55,307 215,308 4.788,309 3.795,310 7.075,311 4.361,312 3.382,313 4.729,314 2.612,315 12.203,316 3.314,317 4.5,318 3.75,319 6.628,320 4.069,321 3.093,322 4.178,323 0.6,324 10.565,325 3.009,326 4.159,327 3.311,328 6.105,329 3.656,330 2.698,331 3.799,333 8.729,334 2.581,335 3.874,336 2.906,337 5.828,338 3.362,339 2.431,340 3.375,342 7.792,343 2.243,344 3.602,345 2.817,346 5.349,347 3.094,348 2.203,349 2.986,351 6.31,352 1.933,353 3.254,354 2.517,355 4.978,356 2.829,357 1.88,358 2.507,360 5.645,361 1.68,362 3.211,363 2.111,364 4.954,365 2.694,366 1.761,367 2.464,369 5.291,370 1.614,371 3.074,372 2.028,373 4.773,374 2.545,375 1.608,376 2.226,378 4.842,379 1.437,380 2.89,381 1.795,382 4.192,383 2.221,384 1.239,385 1.991,386 3.294,387 1.211,388 2.436,389 1.337,390 3.78,391 1.885,392 0.892,393 1.312,394 2.411,395 0.856,396 2.24,397 1.106,398 3.474,399 1.617,400 0.695,401 1.024,402 1.81,403 0.596,404 1.368,405 1,406 2.873,407 0.922,408 0.029,409 0.036,411 0.073,412 0.021,413 1.168,414 0.614,415 2.694,416 0.623,417 -0.259,418 -0.351,420 -0.659,421 -0.164,422 1,423 0.248,424 2.421,425 0.275,426 -0.594,427 -0.745,429 -1.558,430 -0.399,431 0.78,432 -0.054,433 2.371,434 0.205,435 -0.785,436 -1.054,438 -2,439 -0.658,440 13.2,441 0.528,442 0.895,443 0.036,444 37.25,445 1.49,446 21,447 0.84,448 16.25,449 0.65,450 20.391,451 0.816,452 24,453 0.75,454 25.818,455 1.033,456 6.828,457 0.273,458 5.035,459 0.201,460 0.303,462 0.447,466 0.6,467 0.825,468 0.458,469 0.468,470 0.625,471 0.53,472 0.534,473 1.069,474 0.561,475 0.657,476 0.465,477 0.727,478 0.894,479 1.135,480 0.991,481 1.034,482 0.722,483 1.047,484 1.142,485 1.025,486 0.948,487 0.941,488 1.12,489 1.005,490 1.053,491 1.087,492 0.99,493 1.192,494 1.149,495 0.94,496 1.156,497 1.002,498 0.662,499 0.867,500 1.308,501 1.019,502 1.04,503 0.905,504 0.788,505 0.812,506 1.066,507 0.975,508 0.913,509 0.896,510 1.029,511 0.984,512 0.957,513 1.092,514 6,515 0.085,516 3.556,517 2.868,518 2.148,519 1.261,520 0.68,521 0.489,522 0.258,523 0.135,524 6220,525 27851,526 2.057,527 21.9,529 5,532 2,536 1.687,537 1.852,538 3.097,539 0.391,545 61.594,546 1.925,547 4.024,548 4.512,549 4.938,550 4.938,551 4.938,552 2.483,553 4.404,554 4.616,555 3.207,556 962.231,557 8.019,558 11001.5,563 160,564 1.517,565 4.538,566 0.214,567 0.012,568 0.083,569 0.064,570 0.051,571 0.032,572 0.021,573 0.017,574 0.013,575 0.011,576 0.518,577 0.33,578 0.88,579 0.866,580 116.983,581 0.045,582 0.198,583 -0.006,584 0.136,585 -0.068,586 0.1,587 0.114,588 -0.107,589 -0.004,590 0.005,591 0.141,592 -0.04,593 -0.123,594 -0.147,595 -0.115,596 -0.164,597 -0.026,598 -0.165,599 -0.204,600 -0.033,601 -0.069,602 -0.008,603 -0.183,604 -0.027,605 0.089,606 -0.096,607 0.007,608 -0.21,609 0.009,610 -0.037,611 -0.103,612 -0.001,613 -0.037,614 -0.046,615 -0.205,616 -0.129,617 0.123,618 0.106,619 0.004,620 0.112,621 0.11,622 -0.036,623 0.203,624 -0.017,625 0.067,626 0.164,627 0.229,628 0.206,629 2.54,630 5.725,631 0.72,632 18.07,633 1.054,634 1.102,635 3.113,636 9.69,637 0.807,638 3.367,639 3.784,640 4.127,641 4.477,642 4.762,643 4.92,644 5.112,645 5.252,646 5.278,647 5.333,648 5.178,649 0.799,650 465.06,651 3.367,652 4.963,653 5.861,654 6.792,655 7.715,656 8.65,657 9.582,658 10.519,659 11.455,660 12.394,661 9.4,669 1,670 1,672 1,674 2,675 5,677 1,680 7,682 16,684 1,686 1,694 1,696 1,698 2,699 32,700 20,701 2,702 28,703 2,704 35,705 16,706 14,707 7,708 5,709 2,710 4,711 6,721 16,724 4,726 1,728 3,730 1,731 2,733 1,736 7,737 5,738 2,739 9,740 2,743 3,747 0.5,748 4,756 1,759 2,760 2,762 2,777 2,780 2,785 25,788 1,800 2,801 12.5,803 1,804 1,807 2,808 13.5,809 6.052,810 5.25,811 1.783,812 3.896,813 1.506,814 1.024,815 3.794,816 11.603,817 3.714,818 4.44,819 5.116,820 5.792,821 6.406,822 6.861,823 7.365,824 7.81,825 8.116,826 8.496,827 0.833,828 45,829 9.264,831 4.265,832 8.233,833 16.721,835 14.181,837 2.733,838 68.333,842 58.856,843 77.983,844 131.149,846 118.575,849 169.892,850 177.431,851 39.241,852 5.67,854 47.381,855 75.718,856 54.139,857 2.144,858 58.856,859 142.655,860 58.856,861 117.225,862 118.575,864 91.908,865 58.856,866 67.828,867 50.747,869 33.571,870 77.983,871 5.67,872 91.908,873 58.856,874 157.816,875 169.892,878 58.856,879 30.602,880 53.051,881 108.694,882 135.361,883 58.856,884 157.816,885 169.892,887 0.609,888 0.366,889 0.202,890 0.121,891 24,892 12,893 0.057,894 2,895 2,896 1.222,897 3.484,898 228.333,899 0.222,900 18,901 114.096,904 16.455,905 5.765,906 2.524,907 0.795,908 135.361,909 7.731,911 2.741,914 1.754,916 59.469,917 386.563,918 40,920 -0.54,922 34.977,924 4.312,925 -0.306,926 33.724,927 35.261,928 0.385,929 0.805,930 0.902,931 0.988,932 0.988,933 0.988,934 4.99,935 1.608,936 5.905,937 5.291,938 4.466,939 5.127,940 2.559,941 6.817,942 4.36,943 6.273,944 1.239,945 7.533,946 4.842,947 4.29,948 5.215,949 2.361,950 7.883,951 4.113,952 7.638,953 0.892,954 9.256,955 3.294,956 6.163,957 7.483,958 4.159,959 11.042,960 6.003,961 9.038,962 0.695,963 11.033,964 2.411,965 6.758,966 8.351,967 4.506,968 12.927,969 6.559,970 10.467,971 0.029,972 12.843,973 1.81,974 8.174,975 10.146,976 5.948,977 15.628,978 7.98,979 11.918,980 -0.259,981 14.678,982 0.073,983 9.107,984 11.368,985 6.556,986 17.859,987 8.889,988 13.387,989 -0.594,990 16.531,991 -0.659,992 10.365,993 12.989,994 7.794,995 20.407,996 10.142,997 3.382,998 -0.785,999 18.399,1000 -1.558,1001 11.445,1002 14.375,1003 8.548,1004 22.784,1005 11.204,1006 3.093,1007 12.203,1008 20.279,1009 -2,1010 12.651,1011 15.932,1012 9.67,1013 25.284,1014 12.399,1015 2.698,1016 10.565,1017 22.168,1018 4.729,1019 13.795,1020 17.396,1021 10.509,1022 27.722,1023 13.526,1024 2.431,1025 8.729,1026 24.066,1027 4.178,1028 14.988,1029 18.932,1030 11.563,1031 30.209,1032 14.704,1033 2.203,1034 7.792,1035 25.971,1036 3.799,1037 16.161,1038 20.433,1039 12.452,1040 32.675,1041 15.86,1042 1.88,1043 6.31,1044 27.882,1045 3.375,1046 17.353,1047 21.965,1048 13.468,1049 35.16,1050 17.036,1051 1.761,1052 5.645,1053 29.798,1054 2.986,1055 18.54,1056 23.485,1057 14.386,1058 37.64,1059 18.205,1060 6034,1061 12868,1062 18.035,1063 25.824,1064 44.627,1065 47.104,1066 46.7,1067 44.159,1068 43.819,1069 61.255,1070 6.425,1071 137.929,1072 40.989,1073 5.634,1074 5.795,1075 6.376,1076 5.401,1077 5.382,1078 7.729,1079 4.612,1080 19.944,1081 5.314,1082 15.099,1083 1.594,1084 1.682,1085 1.668,1086 1.577,1087 1.565,1088 2.188,1089 0.229,1090 4.926,1091 1.464,1092 4.173,1093 4.195,1094 6.882,1095 4.09,1096 7.815,1097 4.096,1098 3.965,1099 3.982,1100 6.879,1101 3.907,1102 7.428,1103 3.901,1104 3.701,1105 3.727,1106 4.11,1107 3.444,1108 6.999,1109 3.469,1110 3.381,1111 3.394,1112 3.882,1113 3.204,1114 6.473,1115 3.232,1116 3.161,1117 3.176,1118 3.677,1119 3.008,1120 4.898,1121 2.979,1122 2.914,1123 2.957,1124 3.218,1125 2.813,1126 4.761,1127 2.785,1128 2.868,1129 2.908,1130 3.025,1131 2.621,1132 4.304,1133 2.694,1134 2.529,1135 2.565,1136 2.775,1137 2.401,1138 4.051,1139 2.36,1140 0.171,1141 0.136,1142 0.253,1143 0.156,1144 0.121,1145 4.788,1146 0.169,1147 3.795,1148 0.093,1149 7.075,1150 0.436,1151 4.361,1152 0.118,1153 3.382,1154 4.729,1155 2.612,1156 12.203,1157 3.314,1158 1.952,1159 1.938,1160 1.976,1161 2.087,1162 1.178,1163 2.048,1164 1.863,1165 1.849,1166 1.913,1167 1.919,1168 1.071,1169 1.931,1170 1.577,1171 1.556,1172 1.613,1173 1.773,1174 0.714,1175 1.727,1176 1.298,1177 1.264,1178 1.355,1179 1.708,1180 0.339,1181 1.6,1182 1.086,1183 1.076,1184 1.183,1185 1.373,1186 0.233,1187 1.312,1188 0.874,1189 0.856,1190 0.963,1191 1.045,1192 0.074,1193 1.046,1194 0.819,1195 0.783,1196 0.929,1197 0.962,1198 0.048,1199 0.98,1200 0.712,1201 0.658,1202 0.897,1203 0.894,1205 0.927,1206 4.043,1208 5.434,1209 3.045,1210 7.009,1211 5.533,1212 8.673,1213 7.735,1214 10.387,1215 6.558,1221 10.312,1231 25.554,1232 61.594,1233 128.781,1234 144.39,1235 158,1236 158,1237 158,1238 56.487,1239 7.707,1240 111.8,1241 111.8,1242 22,1243 12.891,1244 4.392,1245 3.7,1246 35.668,1247 76,1248 80,1249 0.235,1250 165.596,1251 283.54,1252 395.814,1253 21288,1254 6.3,1255 17.878,1256 0.715,1257 0.615,1258 19.878,1259 15.381,1260 11.863,1261 0.424,1262 0.306,1263 6.977,1264 10.254,1265 6.785,1266 5.519,1267 13.018,1268 8.57,1269 11.672,1270 0.271,1271 0.167,1272 13.23,1273 7.177,1274 9.999,1275 0.164,1276 0.083,1277 11.187,1278 5.041,1279 8.65,1280 0.099,1281 0.043,1282 9.775,1283 3.734,1284 7.525,1285 0.065,1286 0.023,1287 8.936,1288 2.656,1289 0.352,1290 91.792,1291 0.235,1292 23.425,1293 0.698,1294 142,1295 512.288,1296 288.344,1297 565.865,1298 736.82,1299 518,1300 175,1301 491.569,1302 253.145,1303 516.454,1304 762.76,1305 485,1306 5} {0 CHEMBL606920,1 1.792,2 7.826,3 4.332,4 18.767,5 92.089,6 10.918,7 0.769,8 3.696,9 3.796,10 3.571,11 3.319,12 5.011,13 3.32,14 4.128,15 4.229,16 4.025,17 3.759,18 5.354,19 3.737,20 4.387,21 4.526,22 4.098,23 3.861,24 5.612,25 3.822,26 4.462,27 4.637,28 4.081,29 3.805,30 5.721,31 3.769,32 4.392,33 4.552,34 4.165,35 3.665,36 5.779,37 3.67,38 4.291,39 4.45,40 3.966,41 3.565,42 5.82,43 3.547,44 4.175,45 4.354,46 3.69,47 3.418,48 5.504,49 3.365,50 3.968,51 4.196,52 3.796,53 3.212,54 5.223,55 3.066,56 0.164,57 0.519,58 2.599,59 2.488,60 18.004,61 2.326,62 0.158,63 0.791,64 3.784,65 4.417,66 13.356,67 4.781,68 0.284,69 1.004,70 15.949,71 6.281,72 28.59,73 6.276,74 0.403,75 1.063,76 16.325,77 6.778,78 34.768,79 7.351,80 0.493,81 0.956,82 14.099,83 5.933,84 56.179,85 5.625,86 0.532,87 0.854,88 15.97,89 5.642,90 67.232,91 5.337,92 0.43,93 0.748,94 10.029,95 5.017,96 56.983,97 4.421,98 0.34,99 0.57,100 15.732,101 5.174,102 40.998,103 5.762,104 18,105 39,106 0.321,107 0.674,108 0.787,109 0.89,110 0.9,111 0.9,112 3.191,113 0.88,114 -3.47,115 -3.44,116 -3.29,117 1,119 47.1,133 6,134 3,135 3,143 3,144 1,152 1,153 1,154 1,155 1,159 5,162 1,165 1,166 9,168 7,170 2,172 3,174 1,176 8,178 8,180 2,182 4,185 1,186 2,187 4,190 4,192 1,194 5,197 2,198 1,199 5,201 1,202 4,206 4,209 2,210 2,211 5,212 2,213 5,217 2,219 1,220 1,222 3,224 5,226 1,229 1,231 1,232 1,234 4,237 4,239 2,247 1,250 2,252 1,255 657,256 15.541,257 15.541,258 15.541,259 15.541,260 15.541,261 13.134,262 12.413,263 8.805,264 15.936,265 12.775,266 12.775,267 12.775,268 12.775,269 12.775,270 9.025,271 10.193,272 4.104,273 13.457,274 3.296,275 1.324,276 0.691,277 0.118,278 0.059,279 0.059,280 3.884,284 1,285 395,286 2.449,288 79.313,289 104.601,291 154.671,295 1.081,296 24.866,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 49.75,307 180,308 4.784,309 3.439,310 7.064,311 4.342,312 3.367,313 4.747,314 0.894,315 12.199,316 3.282,317 4.52,318 3.146,319 6.599,320 4.021,321 3.047,322 4.475,324 10.513,325 2.966,326 3.864,327 2.825,328 5.81,329 3.422,330 2.462,331 3.385,333 7.811,334 2.367,335 3.654,336 2.511,337 5.322,338 3.186,339 2.263,340 3.092,342 6.355,343 2.084,344 3.403,345 2.426,346 4.995,347 2.912,348 1.989,349 2.765,351 5.778,352 1.832,353 3.323,354 2.079,355 4.958,356 2.836,357 1.888,358 2.655,360 5.724,361 1.677,362 3.084,363 1.962,364 4.796,365 2.621,366 1.69,367 2.308,369 4.923,370 1.557,371 2.897,372 1.642,373 4.583,374 2.389,375 1.414,376 2.084,378 4.273,379 1.361,380 2.554,381 1.429,382 3.768,383 1.987,384 1.013,385 1.452,386 2.413,387 0.982,388 2.053,389 0.793,390 3.421,391 1.536,392 0.581,393 0.844,394 1.537,395 0.546,396 1.96,397 0.653,398 2.876,399 1.265,400 0.31,401 0.487,402 0.549,403 0.279,404 1.218,405 0.314,406 2.552,407 0.813,408 -0.124,409 -0.159,411 -0.274,412 -0.111,413 0.994,414 0.054,415 2.437,416 0.463,417 -0.386,418 -0.511,420 -0.894,421 -0.238,422 0.662,423 -0.396,424 2.369,425 0.222,426 -0.681,427 -0.827,429 -1.669,430 -0.609,431 0.636,432 -0.587,433 2.278,434 0.147,435 -0.82,436 -1.156,438 -2.459,439 -0.751,440 11.6,441 0.504,442 0.678,443 0.029,444 34,445 1.478,446 19,447 0.826,448 15,449 0.652,450 16.639,451 0.723,452 22.6,453 0.665,454 23.255,455 1.011,456 6.563,457 0.285,458 4.517,459 0.196,460 0.207,462 0.431,466 0.832,467 0.836,468 0.471,469 0.512,470 0.756,471 0.57,472 0.498,473 1.144,474 0.545,475 0.796,476 0.416,477 0.814,478 0.886,479 1.175,480 0.949,481 1.066,482 0.757,483 1.059,484 0.84,485 1.091,486 0.678,487 0.927,488 0.8,489 0.972,490 1.347,491 1.054,492 0.669,493 0.883,494 1.447,495 0.858,496 1.086,497 0.956,498 0.802,499 0.993,500 1.137,501 1.016,502 1.701,503 0.873,504 0.676,505 0.772,506 1.837,507 1.003,508 0.735,509 0.858,510 1.154,511 1.089,512 0.783,513 1.103,514 5,515 0.012,516 2.889,517 2.556,518 1.717,519 1.188,520 0.501,521 0.37,522 0.148,523 0.075,524 5008,525 17393,526 2.115,527 32.4,529 6,532 5,536 1.665,537 1.944,538 2.976,539 2.718,541 1,545 60.92,546 1.792,547 3.763,548 4.396,549 4.97,550 5.029,551 5.029,552 2.403,553 4.524,554 4.497,555 3.07,556 776.813,557 7.784,558 8375.51,560 1,562 1,563 172.974,564 1.491,565 4.44,566 0.192,567 0.006,568 0.074,569 0.064,570 0.045,571 0.033,572 0.017,573 0.017,574 0.011,575 0.012,576 0.471,577 0.33,578 1,579 0.832,580 103.965,581 -0.094,582 0.259,583 -0.016,584 0.213,585 -0.099,586 0.16,587 0.066,588 -0.129,589 0.013,590 -0.013,591 0.044,592 -0.008,593 -0.114,594 -0.166,595 -0.106,596 -0.177,597 -0.089,598 -0.179,599 0.054,600 -0.091,601 -0.002,602 -0.058,603 0.036,604 -0.029,605 -0.067,606 -0.054,607 0.061,608 0.001,609 -0.119,610 0.041,611 0.152,612 0.035,613 -0.018,614 -0.091,615 0.234,616 -0.105,617 -0.398,618 0.096,619 -0.023,620 0.118,621 -0.373,622 -0.061,623 0.198,624 0.008,625 0.156,626 0.068,627 0.174,628 0.094,629 1.707,630 4.421,631 0.783,632 15.025,633 1.024,634 1.115,635 2.236,636 4.998,637 0.745,638 3.296,639 3.689,640 4.043,641 4.419,642 4.691,643 4.828,644 4.984,645 5.142,646 5.124,647 5.136,648 4.784,649 0.725,650 371.21,651 3.296,652 4.875,653 5.771,654 6.701,655 7.621,656 8.556,657 9.485,658 10.422,659 11.355,660 12.293,661 11.8,665 1,669 2,673 1,674 4,675 6,677 2,680 6,682 20,691 1,693 1,696 1,698 1,699 34,700 21,701 2,702 26,703 1,704 37,705 16,706 16,707 6,708 6,710 4,711 6,721 16,724 1,728 1,730 1,733 1,736 11,737 4,738 5,739 7,740 1,743 4,747 0.5,748 2,756 2,759 2,760 2,762 2,777 2,780 1,785 23,786 1,788 1,800 1,801 5.9,803 1,804 1,808 11.833,809 6.043,810 4.944,811 1.829,812 4.219,813 1.562,814 1.056,815 3.265,816 11.727,817 3.638,818 4.376,819 5.107,820 5.85,821 6.461,822 6.935,823 7.443,824 7.967,825 8.262,826 8.66,827 1,828 40,829 8.443,831 3.775,832 7.953,833 15.72,835 13.377,837 2.453,838 56.417,842 70.627,843 80.803,844 131.706,846 68.057,849 126.757,850 138.683,851 85.752,854 89.755,855 68.057,856 50.471,857 26.329,858 70.627,859 45.954,860 70.627,861 166.554,862 68.057,864 45.954,865 70.627,866 68.057,869 33.571,870 113.7,871 19.284,872 45.954,873 70.627,874 153.809,875 126.757,878 70.627,879 23.945,880 56.857,881 79.525,882 120.238,883 70.627,884 153.809,885 126.757,887 0.595,888 0.363,889 0.216,890 0.128,891 22,892 10,893 0.054,894 2,895 2,896 1.222,897 3.373,898 203.513,899 0.222,900 18,901 104.042,904 14.449,905 5.198,906 2.183,907 2.888,908 120.238,909 10.787,911 6.049,914 2.558,916 109.152,917 351.192,918 37,922 11.421,924 3.168,926 34.825,927 37.914,928 0.352,929 0.74,930 0.864,931 0.977,932 0.988,933 0.988,934 4.89,935 1.414,936 5.796,937 4.923,938 4.369,939 5.063,940 0.956,941 6.698,942 4.278,943 6.162,944 1.013,945 7.409,946 4.273,947 4.111,948 5.094,950 7.753,951 3.954,952 7.517,953 0.581,954 9.12,955 2.413,956 6.047,957 7.462,958 0.824,959 10.921,960 5.901,961 8.913,962 0.31,963 10.888,964 1.537,965 6.594,966 8.322,968 12.83,969 6.408,970 10.341,971 -0.124,972 12.695,973 0.549,974 8.044,975 10.178,976 0.705,977 15.534,978 7.857,979 11.795,980 -0.386,981 14.528,982 -0.274,983 8.958,984 11.42,986 17.793,987 8.743,988 13.268,989 -0.681,990 16.383,991 -0.894,992 10.232,993 13.079,994 0.598,995 20.345,996 10.006,997 3.367,998 -0.82,999 18.255,1000 -1.669,1001 11.308,1002 14.493,1004 22.74,1005 11.056,1006 3.047,1007 12.199,1008 20.14,1009 -2.459,1010 12.523,1011 16.076,1012 0.504,1013 25.243,1014 12.254,1015 2.462,1016 10.513,1017 22.036,1018 4.747,1019 13.667,1020 17.563,1022 27.691,1023 13.373,1024 2.263,1025 7.811,1026 23.941,1027 4.475,1028 14.865,1029 19.118,1030 0.422,1031 30.181,1032 14.549,1033 1.989,1034 6.355,1035 25.853,1036 3.385,1037 16.038,1038 20.635,1040 32.652,1041 15.698,1042 1.888,1043 5.778,1044 27.77,1045 3.092,1046 17.233,1047 22.181,1048 0.35,1049 35.14,1050 16.869,1051 1.69,1052 5.724,1053 29.692,1054 2.765,1055 18.42,1056 23.712,1058 37.622,1059 18.032,1060 4814,1061 9075,1062 17.224,1063 25.33,1064 40.882,1065 41.692,1066 42.635,1067 40.303,1068 40.046,1069 56.59,1070 1.789,1071 124.151,1072 37.868,1073 5.479,1074 5.439,1075 6.568,1076 5.381,1077 5.367,1078 7.747,1079 1.789,1080 19.906,1081 5.282,1082 11.679,1083 1.572,1084 1.604,1085 1.64,1086 1.55,1087 1.54,1088 2.177,1089 0.069,1090 4.775,1091 1.456,1092 4.203,1093 4.231,1094 6.88,1095 4.118,1096 7.529,1097 4.128,1098 4.021,1099 4.051,1100 4.166,1101 3.948,1102 6.473,1103 3.949,1104 3.51,1105 3.553,1106 3.961,1107 3.417,1108 5.13,1109 3.408,1110 3.363,1111 3.412,1112 3.41,1113 3.196,1114 4.94,1115 3.203,1116 3.055,1117 3.107,1118 3.223,1119 2.87,1120 4.696,1121 2.86,1122 2.955,1123 3.023,1124 2.954,1125 2.825,1126 4.277,1127 2.819,1128 2.762,1129 2.84,1130 2.799,1131 2.417,1132 3.904,1133 2.447,1134 2.742,1135 2.802,1136 2.651,1137 2.369,1138 3.774,1139 2.437,1140 0.184,1141 0.132,1142 0.272,1143 0.167,1144 0.129,1145 4.784,1146 0.183,1147 3.439,1148 0.034,1149 7.064,1150 0.469,1151 4.342,1152 0.126,1153 3.367,1154 4.747,1155 0.894,1156 12.199,1157 3.282,1158 1.941,1159 1.92,1160 2.018,1161 2.028,1162 1.166,1163 2.027,1164 1.923,1165 1.904,1166 1.972,1167 1.992,1168 1.139,1169 1.997,1170 1.628,1171 1.594,1172 1.687,1173 1.822,1174 0.807,1175 1.783,1176 1.263,1177 1.209,1178 1.404,1179 1.561,1180 0.398,1181 1.517,1182 1.041,1183 1.002,1184 1.214,1185 1.302,1186 0.256,1187 1.272,1188 1.002,1189 0.954,1190 1.122,1191 1.228,1192 0.226,1193 1.204,1194 0.797,1195 0.726,1196 1.095,1197 1.031,1198 0.092,1199 1.062,1200 0.715,1201 0.651,1202 0.944,1203 0.957,1205 0.967,1206 3.97,1208 5.342,1209 3.045,1210 6.909,1211 5.533,1212 8.567,1213 7.735,1214 10.276,1215 3.388,1220 5.849,1221 10.309,1231 24.648,1232 60.92,1233 127.954,1234 149.464,1235 168.974,1236 170.974,1237 170.974,1238 37.352,1239 7.509,1240 107.26,1241 107.26,1242 22,1243 12.791,1244 4.459,1245 3.585,1246 31.571,1247 65,1248 65,1249 0.245,1250 155.411,1251 249.42,1252 370.963,1253 16780,1254 2.9,1255 16.137,1256 0.702,1257 0.579,1258 17.137,1259 13.308,1260 11.08,1261 0.426,1262 0.293,1263 6.798,1264 10.123,1265 6.636,1266 5.454,1267 11.657,1268 7.627,1269 10.446,1270 0.268,1271 0.159,1272 11.263,1273 6.199,1274 9.087,1275 0.162,1276 0.078,1277 9.612,1278 4.371,1279 8.242,1280 0.101,1281 0.039,1282 8.681,1283 3.235,1284 7.053,1285 0.065,1286 0.022,1287 7.634,1288 2.335,1289 0.364,1290 77.797,1291 0.241,1292 21.719,1293 0.743,1294 130,1295 390.163,1296 206.047,1297 423.303,1298 569.85,1299 390,1300 160,1301 406.502,1302 198.885,1303 425.322,1304 622.77,1305 400,1306 5} {0 CHEMBL610451,1 1.751,2 7.818,3 3.28,4 10.755,5 87.103,6 11.131,7 0.64,8 3.632,9 3.721,10 3.528,11 3.294,12 4.904,13 3.291,14 4.081,15 4.173,16 4.004,17 3.722,18 5.362,19 3.705,20 4.313,21 4.44,22 4.059,23 3.794,24 5.643,25 3.762,26 4.334,27 4.497,28 3.986,29 3.705,30 5.631,31 3.667,32 4.21,33 4.343,34 4.101,35 3.526,36 5.772,37 3.539,38 4.065,39 4.215,40 3.587,41 3.403,42 5.465,43 3.373,44 4.007,45 4.175,46 3.614,47 3.326,48 5.368,49 3.263,50 3.842,51 4.052,52 3.727,53 3.148,54 4.98,55 2.984,56 0.11,57 0.451,58 1.975,59 2.336,60 14.161,61 2.131,62 0.147,63 0.696,64 3.064,65 4.034,66 14.494,67 4.267,68 0.285,69 0.873,70 15.158,71 5.791,72 32.848,73 5.507,74 0.332,75 0.899,76 14.686,77 6.173,78 38.207,79 6.446,80 0.473,81 0.759,82 11.755,83 5.184,84 63.306,85 4.661,86 0.326,87 0.68,88 5.941,89 4.266,90 48.951,91 3.986,92 0.327,93 0.633,94 7.247,95 4.3,96 46.402,97 3.914,98 0.28,99 0.493,100 13.083,101 4.793,102 35.163,103 5.077,104 17,105 38,106 0.319,107 0.695,108 0.811,109 0.899,110 0.899,111 0.899,112 3.149,113 0.885,114 -3.43,115 -3.41,116 -3.26,117 1,119 50,133 6,134 3,135 3,143 1,144 1,146 2,152 1,153 1,154 1,159 5,162 4,165 1,166 6,168 7,170 2,171 1,172 5,176 5,178 8,180 2,182 3,185 2,187 3,190 4,192 1,194 5,197 2,198 1,199 3,201 1,202 4,206 2,208 1,209 1,210 1,211 4,212 1,213 5,217 1,219 1,220 1,222 3,224 5,226 1,234 4,237 4,239 2,247 1,250 2,252 1,255 566,256 14.671,257 14.671,258 14.671,259 14.671,260 14.671,261 12.486,262 15.011,263 8.268,264 14.974,265 12.327,266 12.327,267 12.327,268 12.327,269 12.327,270 8.905,271 17.468,272 3.947,273 12.895,274 3.249,275 1.18,276 0.547,277 0.063,278 0.063,279 0.063,280 3.841,283 1,284 1,285 380,286 2.236,288 75.192,289 99.391,291 146.756,295 1.124,296 27.922,298 1,299 1,300 1,301 1,302 0.4,304 1,305 0.77,306 47.25,307 172,308 4.752,309 3.756,310 7.042,311 4.342,312 3.357,313 4.652,314 0.6,315 12.077,316 3.308,317 4.453,318 3.222,319 6.563,320 4.02,321 3.037,322 4.152,324 10.347,325 2.985,326 3.866,327 2.892,328 5.806,329 3.421,330 2.458,331 3.365,333 7.79,334 2.368,335 3.646,336 2.571,337 5.257,338 3.179,339 2.25,340 3.06,342 6.227,343 2.09,344 3.377,345 2.479,346 4.972,347 2.912,348 1.987,349 2.709,351 5.776,352 1.83,353 3.23,354 2.14,355 4.954,356 2.81,357 1.83,358 2.435,360 5.513,361 1.675,362 3.089,363 1.997,364 4.781,365 2.618,366 1.681,367 2.301,369 4.894,370 1.556,371 2.929,372 1.55,373 4.582,374 2.388,375 1.413,376 2.062,378 4.273,379 1.361,380 2.409,381 1.292,382 3.649,383 1.841,384 0.821,385 1.235,386 2.084,387 0.827,388 2.073,389 0.75,390 3.387,391 1.531,392 0.579,393 0.838,394 1.526,395 0.54,396 1.342,397 0.503,398 2.769,399 0.927,404 1.1,405 0.136,406 2.447,407 0.615,408 -0.301,409 -0.399,411 -0.745,412 -0.218,413 0.693,414 -0.089,415 2.383,416 0.222,417 -0.68,418 -0.826,420 -1.668,421 -0.592,422 0.662,423 -0.396,424 2.278,425 0.207,426 -0.774,427 -1.042,429 -2.06,430 -0.646,431 0.578,432 -0.76,433 2.27,434 0.136,435 -0.822,436 -1.155,438 -2.55,439 -0.815,440 11.2,441 0.509,442 0.716,443 0.033,444 32.75,445 1.489,446 18.5,447 0.841,448 14.25,449 0.648,450 15.465,451 0.703,452 21.2,453 0.663,454 21.915,455 0.996,456 6.208,457 0.282,458 4.334,459 0.197,460 0.214,462 0.446,466 0.896,467 0.856,468 0.464,469 0.539,470 0.848,471 0.573,472 0.57,473 1.105,474 0.539,475 0.763,476 0.554,477 0.769,478 1,479 1.117,480 0.968,481 1.033,482 0.939,483 1.008,484 0.977,485 1.03,486 0.717,487 0.918,488 0.987,489 0.948,490 1.227,491 1.029,492 0.714,493 0.936,494 1.388,495 0.847,496 1.348,497 0.959,498 0.432,499 0.799,500 1.461,501 1.017,502 1.436,503 0.931,504 0.702,505 0.811,506 1.349,507 1.027,508 0.861,509 0.947,510 1.247,511 1.162,512 1.006,513 1.206,514 5,515 0.012,516 2.889,517 2.556,518 1.592,519 1.049,520 0.406,521 0.323,522 0.128,523 0.075,524 4567,525 15466,526 2.12,527 31.3,529 6,532 4,536 1.651,537 1.941,538 2.977,539 1.87,541 1,543 1,545 56.026,546 1.751,547 3.82,548 4.453,549 4.938,550 4.938,551 4.938,552 2.431,553 4.187,554 4.433,555 3.069,556 708.834,557 7.644,558 7376.31,559 1,560 1,561 1,562 1,563 160,564 1.495,565 4.373,566 0.2,567 0.006,568 0.076,569 0.067,570 0.047,571 0.033,572 0.017,573 0.016,574 0.011,575 0.012,576 0.485,577 0.33,578 1,579 0.65,580 98.034,581 -0.192,582 0.181,583 -0.015,584 0.161,585 -0.199,586 0.14,587 0.061,588 -0.124,589 0.014,590 -0.013,591 0.025,592 0.001,593 -0.101,594 -0.121,595 -0.108,596 -0.149,597 -0.065,598 -0.147,599 -0.007,600 -0.039,601 -0.006,602 -0.029,603 -0.012,604 0.003,605 0.184,606 -0.037,607 0.083,608 -0.027,609 0.141,610 0.038,611 -0.168,612 0.038,613 -0.021,614 -0.006,615 -0.124,616 -0.14,617 -0.245,618 0.068,619 -0.011,620 0.089,621 -0.154,622 -0.079,623 0.073,624 -0.085,625 0.131,626 0.033,627 -0.053,628 0.012,629 1.88,630 5.62,631 0.818,632 13.909,633 1.023,634 1.107,635 2.196,636 4.821,637 0.76,638 3.258,639 3.664,640 4.007,641 4.369,642 4.635,643 4.745,644 4.92,645 5.063,646 5.037,647 5.063,648 4.727,649 0.738,650 356.19,651 3.258,652 4.844,653 5.74,654 6.668,655 7.586,656 8.519,657 9.445,658 10.379,659 11.31,660 12.244,661 9.4,665 1,669 1,670 1,674 2,675 6,677 1,680 6,682 16,684 1,686 1,691 1,696 1,698 1,699 32,700 18,701 2,702 25,703 1,704 35,705 16,706 14,707 6,708 6,709 2,710 4,711 6,721 16,724 2,728 1,730 1,731 2,732 1,733 1,736 10,737 4,738 4,739 6,740 1,743 3,747 0.5,748 2,756 1,759 2,760 2,762 2,777 2,780 1,785 22,786 1,788 1,800 1,801 6.3,803 1,804 1,808 11.333,809 5.793,810 4.611,811 1.762,812 3.736,813 1.503,814 1.057,815 2.893,816 11.163,817 3.584,818 4.301,819 4.996,820 5.684,821 6.271,822 6.655,823 7.125,824 7.593,825 7.838,826 8.208,827 1,828 38,829 8.128,831 3.689,832 7.951,833 15.088,835 12.919,837 2.451,838 53.917,842 70.627,843 84.405,844 112.422,846 67.828,849 130.359,850 138.455,851 66.468,854 89.755,855 75.718,856 51.084,857 2.144,858 70.627,859 45.954,860 70.627,861 150.873,862 67.828,864 45.954,865 70.627,866 67.828,869 33.571,870 117.302,872 45.954,873 70.627,874 134.297,875 130.359,878 70.627,879 27.547,880 56.857,881 62.74,882 117.511,883 70.627,884 134.297,885 130.359,887 0.604,888 0.363,889 0.208,890 0.123,891 22,892 10,893 0.029,894 1,895 2,896 1.222,897 3.314,898 191.148,899 0.222,900 18,901 98.107,904 13.552,905 4.697,906 2.009,907 1.38,908 117.511,909 10.532,911 2.848,914 2.782,916 92.366,917 335.282,918 35,922 12.62,924 4.382,925 0.011,926 32.724,927 35.416,928 0.35,929 0.764,930 0.891,931 0.988,932 0.988,933 0.988,934 4.852,935 1.413,936 5.771,937 4.894,938 4.344,939 4.987,940 0.542,941 6.671,942 4.269,943 6.122,944 0.821,945 7.386,946 4.273,947 4.111,948 4.987,950 7.711,951 3.988,952 7.476,953 0.579,954 9.097,955 2.084,956 6.023,957 7.324,958 0.23,959 10.878,960 5.912,961 8.867,963 10.864,964 1.526,965 6.581,966 8.126,968 12.766,969 6.448,970 10.289,971 -0.301,972 12.668,974 8.02,975 9.967,976 0.089,977 15.469,978 7.889,979 11.734,980 -0.68,981 14.499,982 -0.745,983 8.936,984 11.152,986 17.709,987 8.795,988 13.199,989 -0.774,990 16.351,991 -1.668,992 10.206,993 12.795,994 0.033,995 20.257,996 10.058,997 3.357,998 -0.822,999 18.219,1000 -2.06,1001 11.28,1002 14.161,1004 22.637,1005 11.123,1006 3.037,1007 12.077,1008 20.101,1009 -2.55,1010 12.491,1011 15.726,1012 0.012,1013 25.134,1014 12.324,1015 2.458,1016 10.347,1017 21.994,1018 4.652,1019 13.633,1020 17.176,1022 27.57,1023 13.455,1024 2.25,1025 7.79,1026 23.895,1027 4.152,1028 14.828,1029 18.711,1030 0.004,1031 30.052,1032 14.637,1033 1.987,1034 6.227,1035 25.803,1036 3.365,1037 15.998,1038 20.199,1040 32.512,1041 15.795,1042 1.83,1043 5.776,1044 27.717,1045 3.06,1046 17.19,1047 21.725,1048 0.002,1049 34.991,1050 16.974,1051 1.681,1052 5.513,1053 29.636,1054 2.709,1055 18.374,1056 23.232,1058 37.463,1059 18.145,1060 4363,1061 8127,1062 16.531,1063 24.324,1064 39.648,1065 40.637,1066 41.182,1067 39.086,1068 38.826,1069 53.618,1070 1.2,1071 121.013,1072 37.078,1073 5.598,1074 5.756,1075 6.346,1076 5.381,1077 5.357,1078 7.652,1079 1.2,1080 19.781,1081 5.308,1082 11.203,1083 1.586,1084 1.625,1085 1.647,1086 1.563,1087 1.553,1088 2.145,1089 0.048,1090 4.841,1091 1.483,1092 4.156,1093 4.182,1094 6.88,1095 4.07,1096 7.428,1097 4.081,1098 3.954,1099 3.974,1100 4.126,1101 3.898,1102 6.473,1103 3.893,1104 3.506,1105 3.549,1106 3.875,1107 3.396,1108 5.128,1109 3.397,1110 3.322,1111 3.355,1112 3.413,1113 3.156,1114 4.844,1115 3.168,1116 2.962,1117 3.023,1118 3.187,1119 2.824,1120 4.688,1121 2.819,1122 2.894,1123 2.943,1124 2.854,1125 2.813,1126 4.285,1127 2.782,1128 2.746,1129 2.836,1130 2.71,1131 2.421,1132 3.899,1133 2.447,1134 2.464,1135 2.538,1136 2.593,1137 2.37,1138 3.688,1139 2.345,1140 0.19,1141 0.15,1142 0.282,1143 0.174,1144 0.134,1145 4.752,1146 0.186,1147 3.756,1148 0.024,1149 7.042,1150 0.483,1151 4.342,1152 0.132,1153 3.357,1154 4.652,1155 0.6,1156 12.077,1157 3.308,1158 1.937,1159 1.916,1160 2.016,1161 2.025,1162 1.154,1163 2.024,1164 1.863,1165 1.849,1166 1.913,1167 1.919,1168 1.07,1169 1.931,1170 1.577,1171 1.553,1172 1.628,1173 1.773,1174 0.714,1175 1.73,1176 1.214,1177 1.169,1178 1.358,1179 1.491,1180 0.318,1181 1.454,1182 1.012,1183 0.975,1184 1.19,1185 1.26,1186 0.226,1187 1.235,1188 0.866,1189 0.846,1190 1.096,1191 1.049,1192 0.091,1193 1.068,1194 0.797,1195 0.727,1196 0.95,1197 0.984,1198 0.074,1199 0.989,1200 0.693,1201 0.633,1202 0.897,1203 0.902,1205 0.933,1206 3.932,1208 5.313,1209 3.045,1210 6.882,1211 5.533,1212 8.54,1213 7.727,1214 10.246,1215 3.35,1220 5.813,1221 10.198,1231 23.626,1232 56.026,1233 122.226,1234 142.49,1235 158,1236 158,1237 158,1238 37.324,1239 7.427,1240 92,1241 92,1242 22,1243 12.744,1244 4.248,1245 3.459,1246 29.713,1247 62,1248 62,1249 0.244,1250 148.617,1251 249.32,1252 354.385,1253 15261,1254 3.1,1255 15.43,1256 0.701,1257 0.582,1258 16.43,1259 12.808,1260 10.542,1261 0.422,1262 0.295,1263 6.557,1264 9.681,1265 6.39,1266 5.236,1267 11.119,1268 7.372,1269 10.233,1270 0.269,1271 0.158,1272 11.05,1273 6.02,1274 8.867,1275 0.164,1276 0.077,1277 9.391,1278 4.183,1279 7.861,1280 0.101,1281 0.039,1282 8.3,1283 3.052,1284 6.779,1285 0.066,1286 0.021,1287 7.4,1288 2.176,1289 0.364,1290 73.882,1291 0.246,1292 20.952,1293 0.734,1294 126,1295 371.83,1296 201.323,1297 404.233,1298 546.31,1299 374,1300 155,1301 384.315,1302 193.134,1303 404.7,1304 600.96,1305 382,1306 5}