@relation QSAR-Dataset-from-ChEMBL17-for-Drug-Target-with-ChEMBL_ID:CHEMBL1867

@attribute molecule_id {CHEMBL100045,CHEMBL100879,CHEMBL101340,CHEMBL101361,CHEMBL101411,CHEMBL101596,CHEMBL1019,CHEMBL1022,CHEMBL10316,CHEMBL10332,CHEMBL10347,CHEMBL104,CHEMBL1065,CHEMBL106525,CHEMBL1076,CHEMBL1076586,CHEMBL1080155,CHEMBL1080389,CHEMBL1080556,CHEMBL1080735,CHEMBL1080755,CHEMBL1080907,CHEMBL1080926,CHEMBL1081212,CHEMBL1081254,CHEMBL1081648,CHEMBL1081649,CHEMBL1082209,CHEMBL1082210,CHEMBL1082211,CHEMBL1082723,CHEMBL1083787,CHEMBL1085510,CHEMBL108804,CHEMBL109783,CHEMBL109848,CHEMBL110751,CHEMBL1108,CHEMBL1113,CHEMBL111463,CHEMBL111496,CHEMBL111554,CHEMBL111771,CHEMBL112351,CHEMBL112964,CHEMBL114166,CHEMBL1186220,CHEMBL1186774,CHEMBL1186788,CHEMBL119385,CHEMBL119443,CHEMBL1200406,CHEMBL1200633,CHEMBL1201203,CHEMBL1201353,CHEMBL1201356,CHEMBL1204386,CHEMBL1221,CHEMBL1221498,CHEMBL1221499,CHEMBL1221512,CHEMBL1221544,CHEMBL1221545,CHEMBL1221591,CHEMBL1221592,CHEMBL1221593,CHEMBL1221594,CHEMBL122404,CHEMBL1224527,CHEMBL122671,CHEMBL123102,CHEMBL123138,CHEMBL123325,CHEMBL123349,CHEMBL123448,CHEMBL123769,CHEMBL1242923,CHEMBL1242950,CHEMBL125294,CHEMBL1255582,CHEMBL1255616,CHEMBL1255617,CHEMBL1255723,CHEMBL1255724,CHEMBL1255770,CHEMBL1255771,CHEMBL1255837,CHEMBL1256378,CHEMBL1256414,CHEMBL1256502,CHEMBL1256503,CHEMBL1256565,CHEMBL1256566,CHEMBL1256608,CHEMBL1256609,CHEMBL1256610,CHEMBL1258223,CHEMBL1258452,CHEMBL1258671,CHEMBL1262,CHEMBL1275630,CHEMBL1276139,CHEMBL1276140,CHEMBL1276218,CHEMBL1276219,CHEMBL1276220,CHEMBL1276247,CHEMBL1276248,CHEMBL1277104,CHEMBL1277105,CHEMBL1277565,CHEMBL1277837,CHEMBL1277917,CHEMBL1278001,CHEMBL1278084,CHEMBL1278085,CHEMBL128168,CHEMBL1289,CHEMBL12948,CHEMBL1306,CHEMBL130853,CHEMBL130884,CHEMBL131220,CHEMBL131417,CHEMBL1323615,CHEMBL133231,CHEMBL133455,CHEMBL133579,CHEMBL133868,CHEMBL134,CHEMBL1365675,CHEMBL1381098,CHEMBL138458,CHEMBL13852,CHEMBL13856,CHEMBL1385840,CHEMBL138809,CHEMBL1411979,CHEMBL141209,CHEMBL14208,CHEMBL1437,CHEMBL14638,CHEMBL147077,CHEMBL1479,CHEMBL1491,CHEMBL150161,CHEMBL15245,CHEMBL153062,CHEMBL155866,CHEMBL156336,CHEMBL157138,CHEMBL157206,CHEMBL157955,CHEMBL162058,CHEMBL162147,CHEMBL162232,CHEMBL162370,CHEMBL162436,CHEMBL162490,CHEMBL162501,CHEMBL1626,CHEMBL162682,CHEMBL1627,CHEMBL1628227,CHEMBL162826,CHEMBL163190,CHEMBL1632158,CHEMBL1632174,CHEMBL163247,CHEMBL1641679,CHEMBL1641681,CHEMBL1641682,CHEMBL1641689,CHEMBL1641690,CHEMBL1642851,CHEMBL1642865,CHEMBL1642866,CHEMBL1642882,CHEMBL1642886,CHEMBL1642889,CHEMBL1643900,CHEMBL164612,CHEMBL165181,CHEMBL165350,CHEMBL165529,CHEMBL165677,CHEMBL165776,CHEMBL165796,CHEMBL1670,CHEMBL1672288,CHEMBL167644,CHEMBL168168,CHEMBL1689423,CHEMBL1729,CHEMBL1732,CHEMBL175853,CHEMBL175911,CHEMBL176002,CHEMBL176116,CHEMBL176261,CHEMBL178084,CHEMBL178588,CHEMBL17860,CHEMBL1788222,CHEMBL1788223,CHEMBL179237,CHEMBL179648,CHEMBL179878,CHEMBL180003,CHEMBL180322,CHEMBL180470,CHEMBL180561,CHEMBL180962,CHEMBL181099,CHEMBL181184,CHEMBL181217,CHEMBL181383,CHEMBL181393,CHEMBL181466,CHEMBL181632,CHEMBL181727,CHEMBL182150,CHEMBL182235,CHEMBL182376,CHEMBL1824777,CHEMBL1829566,CHEMBL1829574,CHEMBL1829578,CHEMBL1829580,CHEMBL1829659,CHEMBL18329,CHEMBL1909065,CHEMBL1909072,CHEMBL191703,CHEMBL19215,CHEMBL192266,CHEMBL19236,CHEMBL1928316,CHEMBL1928322,CHEMBL1928323,CHEMBL193435,CHEMBL193438,CHEMBL193639,CHEMBL193666,CHEMBL193771,CHEMBL193970,CHEMBL194173,CHEMBL194323,CHEMBL194602,CHEMBL194659,CHEMBL194849,CHEMBL195123,CHEMBL195346,CHEMBL195380,CHEMBL195437,CHEMBL1956191,CHEMBL1956192,CHEMBL1956193,CHEMBL1956194,CHEMBL1956195,CHEMBL1956196,CHEMBL1956197,CHEMBL1956198,CHEMBL1956199,CHEMBL1956200,CHEMBL1956201,CHEMBL1956202,CHEMBL1956203,CHEMBL1956899,CHEMBL1956900,CHEMBL1956901,CHEMBL1956902,CHEMBL1956903,CHEMBL1956904,CHEMBL1956905,CHEMBL1956906,CHEMBL195706,CHEMBL195810,CHEMBL196400,CHEMBL196451,CHEMBL197,CHEMBL198949,CHEMBL199824,CHEMBL2,CHEMBL2022269,CHEMBL2022272,CHEMBL2022273,CHEMBL2022275,CHEMBL2022280,CHEMBL2031737,CHEMBL2031873,CHEMBL2031874,CHEMBL2031876,CHEMBL2031877,CHEMBL2031884,CHEMBL2031885,CHEMBL2032049,CHEMBL2058631,CHEMBL2058632,CHEMBL2058633,CHEMBL2058634,CHEMBL2058635,CHEMBL2089155,CHEMBL2089156,CHEMBL2092927,CHEMBL210578,CHEMBL2112969,CHEMBL2112970,CHEMBL2112971,CHEMBL2112972,CHEMBL2112973,CHEMBL2112974,CHEMBL2112975,CHEMBL2112976,CHEMBL2112977,CHEMBL2112978,CHEMBL2112979,CHEMBL2112980,CHEMBL2112981,CHEMBL2112982,CHEMBL2112983,CHEMBL2112984,CHEMBL2112985,CHEMBL212912,CHEMBL213336,CHEMBL213424,CHEMBL21343,CHEMBL213492,CHEMBL213834,CHEMBL214661,CHEMBL214996,CHEMBL216072,CHEMBL216097,CHEMBL216197,CHEMBL216290,CHEMBL216399,CHEMBL216464,CHEMBL216674,CHEMBL216727,CHEMBL217177,CHEMBL217180,CHEMBL217202,CHEMBL217203,CHEMBL217253,CHEMBL217254,CHEMBL217278,CHEMBL217299,CHEMBL21731,CHEMBL217366,CHEMBL217452,CHEMBL217542,CHEMBL217567,CHEMBL217568,CHEMBL217665,CHEMBL217768,CHEMBL218457,CHEMBL218675,CHEMBL218679,CHEMBL218730,CHEMBL219916,CHEMBL2203713,CHEMBL2205360,CHEMBL2205361,CHEMBL2205362,CHEMBL2205836,CHEMBL2207493,CHEMBL221523,CHEMBL221753,CHEMBL221989,CHEMBL222138,CHEMBL222371,CHEMBL222591,CHEMBL222592,CHEMBL222593,CHEMBL222798,CHEMBL222928,CHEMBL222933,CHEMBL222973,CHEMBL223829,CHEMBL223830,CHEMBL223836,CHEMBL226335,CHEMBL226636,CHEMBL229429,CHEMBL242265,CHEMBL242693,CHEMBL246228,CHEMBL246229,CHEMBL246639,CHEMBL246852,CHEMBL247664,CHEMBL247665,CHEMBL250403,CHEMBL250699,CHEMBL25236,CHEMBL25467,CHEMBL25554,CHEMBL256982,CHEMBL256983,CHEMBL256984,CHEMBL257799,CHEMBL257800,CHEMBL257976,CHEMBL257977,CHEMBL257978,CHEMBL257991,CHEMBL258007,CHEMBL26,CHEMBL260009,CHEMBL260116,CHEMBL260374,CHEMBL260575,CHEMBL260576,CHEMBL260720,CHEMBL260789,CHEMBL261304,CHEMBL262777,CHEMBL262901,CHEMBL263424,CHEMBL266613,CHEMBL26717,CHEMBL267464,CHEMBL268217,CHEMBL268258,CHEMBL268758,CHEMBL269538,CHEMBL27251,CHEMBL273485,CHEMBL276417,CHEMBL279436,CHEMBL279516,CHEMBL281289,CHEMBL281350,CHEMBL284103,CHEMBL284213,CHEMBL284470,CHEMBL284795,CHEMBL286246,CHEMBL287837,CHEMBL288772,CHEMBL289480,CHEMBL290106,CHEMBL290860,CHEMBL291166,CHEMBL294649,CHEMBL295001,CHEMBL295186,CHEMBL295395,CHEMBL295698,CHEMBL296419,CHEMBL296660,CHEMBL297228,CHEMBL297752,CHEMBL297827,CHEMBL298612,CHEMBL298936,CHEMBL30008,CHEMBL302021,CHEMBL302698,CHEMBL30534,CHEMBL305660,CHEMBL305928,CHEMBL306377,CHEMBL306751,CHEMBL306792,CHEMBL30739,CHEMBL308570,CHEMBL308863,CHEMBL30955,CHEMBL310335,CHEMBL311469,CHEMBL312871,CHEMBL313160,CHEMBL313189,CHEMBL313251,CHEMBL313631,CHEMBL313953,CHEMBL31410,CHEMBL314107,CHEMBL314960,CHEMBL315392,CHEMBL315538,CHEMBL315772,CHEMBL315914,CHEMBL316495,CHEMBL317912,CHEMBL318235,CHEMBL319119,CHEMBL319530,CHEMBL319573,CHEMBL320736,CHEMBL321644,CHEMBL323402,CHEMBL323579,CHEMBL326702,CHEMBL327116,CHEMBL327712,CHEMBL327775,CHEMBL327875,CHEMBL327931,CHEMBL328114,CHEMBL328195,CHEMBL328377,CHEMBL328631,CHEMBL328735,CHEMBL329065,CHEMBL334255,CHEMBL336332,CHEMBL336970,CHEMBL338683,CHEMBL346389,CHEMBL351200,CHEMBL351483,CHEMBL353139,CHEMBL353200,CHEMBL353212,CHEMBL353843,CHEMBL353972,CHEMBL354611,CHEMBL359510,CHEMBL360081,CHEMBL360117,CHEMBL360159,CHEMBL360671,CHEMBL360876,CHEMBL361442,CHEMBL362193,CHEMBL362400,CHEMBL362699,CHEMBL362954,CHEMBL363581,CHEMBL364270,CHEMBL366164,CHEMBL367355,CHEMBL369378,CHEMBL370818,CHEMBL371300,CHEMBL371352,CHEMBL373535,CHEMBL373830,CHEMBL374584,CHEMBL374954,CHEMBL378669,CHEMBL383978,CHEMBL384318,CHEMBL384925,CHEMBL385310,CHEMBL385722,CHEMBL386169,CHEMBL390718,CHEMBL392771,CHEMBL392991,CHEMBL392992,CHEMBL393597,CHEMBL394218,CHEMBL395110,CHEMBL396013,CHEMBL397753,CHEMBL402003,CHEMBL402143,CHEMBL402388,CHEMBL404566,CHEMBL405355,CHEMBL406316,CHEMBL406348,CHEMBL40650,CHEMBL407308,CHEMBL407509,CHEMBL407734,CHEMBL41,CHEMBL411,CHEMBL415,CHEMBL41929,CHEMBL419316,CHEMBL419336,CHEMBL419448,CHEMBL419894,CHEMBL42,CHEMBL420,CHEMBL420060,CHEMBL420830,CHEMBL422597,CHEMBL42335,CHEMBL424917,CHEMBL425012,CHEMBL425069,CHEMBL425324,CHEMBL425622,CHEMBL425803,CHEMBL425983,CHEMBL426317,CHEMBL426900,CHEMBL426959,CHEMBL428407,CHEMBL430112,CHEMBL43064,CHEMBL432155,CHEMBL43491,CHEMBL435301,CHEMBL435352,CHEMBL43594,CHEMBL436150,CHEMBL436234,CHEMBL437314,CHEMBL43860,CHEMBL440594,CHEMBL442,CHEMBL442045,CHEMBL442815,CHEMBL445,CHEMBL448147,CHEMBL448620,CHEMBL448802,CHEMBL448908,CHEMBL449279,CHEMBL451229,CHEMBL457570,CHEMBL461571,CHEMBL465963,CHEMBL466012,CHEMBL466046,CHEMBL466296,CHEMBL466634,CHEMBL466635,CHEMBL466914,CHEMBL467094,CHEMBL467259,CHEMBL468710,CHEMBL468711,CHEMBL469127,CHEMBL470432,CHEMBL47313,CHEMBL475969,CHEMBL476006,CHEMBL476569,CHEMBL476774,CHEMBL476839,CHEMBL477608,CHEMBL477650,CHEMBL477816,CHEMBL478026,CHEMBL479,CHEMBL481322,CHEMBL482562,CHEMBL48341,CHEMBL484345,CHEMBL49137,CHEMBL491419,CHEMBL491420,CHEMBL492444,CHEMBL492445,CHEMBL492639,CHEMBL492647,CHEMBL492648,CHEMBL49284,CHEMBL493,CHEMBL493091,CHEMBL493272,CHEMBL493675,CHEMBL49395,CHEMBL494678,CHEMBL494885,CHEMBL495095,CHEMBL495096,CHEMBL495097,CHEMBL496,CHEMBL497749,CHEMBL501404,CHEMBL505414,CHEMBL50588,CHEMBL506744,CHEMBL50719,CHEMBL50720,CHEMBL508084,CHEMBL508112,CHEMBL511,CHEMBL511211,CHEMBL512062,CHEMBL512289,CHEMBL513691,CHEMBL513871,CHEMBL51433,CHEMBL514837,CHEMBL515307,CHEMBL515331,CHEMBL515472,CHEMBL516,CHEMBL516088,CHEMBL518592,CHEMBL520129,CHEMBL522151,CHEMBL523048,CHEMBL524153,CHEMBL531,CHEMBL534,CHEMBL537669,CHEMBL537846,CHEMBL538808,CHEMBL539606,CHEMBL539824,CHEMBL54,CHEMBL540035,CHEMBL540542,CHEMBL540594,CHEMBL542155,CHEMBL542402,CHEMBL542520,CHEMBL542527,CHEMBL543232,CHEMBL544290,CHEMBL544765,CHEMBL55,CHEMBL551711,CHEMBL553276,CHEMBL554019,CHEMBL554416,CHEMBL555146,CHEMBL555190,CHEMBL564,CHEMBL565551,CHEMBL566075,CHEMBL567791,CHEMBL567993,CHEMBL568400,CHEMBL569933,CHEMBL570863,CHEMBL570973,CHEMBL571314,CHEMBL576078,CHEMBL576623,CHEMBL576819,CHEMBL577904,CHEMBL577912,CHEMBL578170,CHEMBL583014,CHEMBL584554,CHEMBL584606,CHEMBL588119,CHEMBL589390,CHEMBL592752,CHEMBL593889,CHEMBL59441,CHEMBL595301,CHEMBL595449,CHEMBL597,CHEMBL59719,CHEMBL604102,CHEMBL605081,CHEMBL605292,CHEMBL605405,CHEMBL605938,CHEMBL60889,CHEMBL61006,CHEMBL611,CHEMBL621,CHEMBL629,CHEMBL6310,CHEMBL633,CHEMBL643,CHEMBL6437,CHEMBL647,CHEMBL648,CHEMBL64894,CHEMBL654,CHEMBL679,CHEMBL68131,CHEMBL69733,CHEMBL7002,CHEMBL70326,CHEMBL70563,CHEMBL706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@attribute SdsCH numeric
@attribute nCIR numeric
@attribute NdsCH numeric
@attribute C.016 numeric
@attribute D.Dtr09 numeric
@attribute nArCNO numeric
@attribute SpMAD_EA.bo. numeric
@attribute RCI numeric
@attribute nR09 numeric
@attribute CATS2D_05_AA numeric
@attribute nRNR2 numeric
@attribute N.068 numeric
@attribute Rbrid numeric
@attribute RFD numeric
@attribute nR10 numeric
@attribute NdsN numeric
@attribute X1A numeric
@attribute O.060 numeric
@attribute nS..O.2 numeric
@attribute P_VSA_s_1 numeric
@attribute P_VSA_e_3 numeric
@attribute Eta_L_A numeric
@attribute NNRS numeric
@attribute C.039 numeric
@attribute N.074 numeric
@attribute Eta_betaP_A numeric
@attribute Eta_betaS_A numeric
@attribute nR.Cs numeric
@attribute ARR numeric
@attribute SpDiam_AEA.dm. numeric
@attribute Eig01_AEA.dm. numeric
@attribute SpMax_AEA.dm. numeric
@attribute nR05 numeric
@attribute SpMin3_Bh.i. numeric
@attribute SRW05 numeric
@attribute SRW07 numeric
@attribute SRW09 numeric
@attribute Eta_C_A numeric
@attribute SdssC numeric
@attribute SdsN numeric
@attribute Yindex numeric
@attribute CATS2D_06_LL numeric
@attribute Eig01_AEA.ri. numeric
@attribute SpMax_AEA.ri. numeric
@attribute Wap numeric
@attribute nCconj numeric
@attribute SpMin3_Bh.e. numeric
@attribute ATSC4v numeric
@attribute MATS2i numeric
@attribute CATS2D_05_LL numeric
@attribute Eig06_EA.dm. numeric
@attribute NssCH2 numeric
@attribute HNar numeric
@attribute C.006 numeric
@attribute NsssCH numeric
@attribute GATS1e numeric
@attribute P_VSA_MR_1 numeric
@attribute DECC numeric
@attribute SRW10 numeric
@attribute SpMin3_Bh.v. numeric
@attribute Chi1_EA.dm. numeric
@attribute MWC10 numeric
@attribute SpDiam_AEA.bo. numeric
@attribute MWC09 numeric
@attribute TWC numeric
@attribute CATS2D_04_AA numeric
@attribute X0A numeric
@attribute GATS3i numeric
@attribute IC5 numeric
@attribute SpMin1_Bh.p. numeric
@attribute ATSC7v numeric
@attribute ATS8i numeric
@attribute Eig12_AEA.dm. numeric
@attribute ATS7v numeric
@attribute Eta_beta_A numeric
@attribute P_VSA_LogP_7 numeric
@attribute SssO numeric
@attribute Eig14_EA.ed. numeric
@attribute SM09_AEA.ri. numeric
@attribute Eig14_AEA.dm. numeric
@attribute C.017 numeric
@attribute nR.Ct numeric
@attribute SpMax2_Bh.p. numeric
@attribute IC4 numeric
@attribute SssCH2 numeric
@attribute Eig08_AEA.bo. numeric
@attribute SpMin7_Bh.s. numeric
@attribute JGI2 numeric
@attribute ATSC7m numeric
@attribute SpMin4_Bh.s. numeric
@attribute piPC10 numeric
@attribute SM04_AEA.ed. numeric
@attribute SpMax4_Bh.v. numeric
@attribute ATS3i numeric
@attribute SsssN numeric
@attribute Eig15_AEA.dm. numeric
@attribute P_VSA_p_1 numeric
@attribute MPC09 numeric
@attribute Eig08_EA.bo. numeric
@attribute MWC08 numeric
@attribute TPC numeric
@attribute ATSC3v numeric
@attribute Chi0_EA.dm. numeric
@attribute P_VSA_LogP_2 numeric
@attribute GNar numeric
@attribute SpDiam_EA.dm. numeric
@attribute ATSC2v numeric
@attribute P_VSA_s_2 numeric
@attribute SM06_EA.ri. numeric
@attribute ATSC2m numeric
@attribute P_VSA_e_1 numeric
@attribute P_VSA_m_1 numeric
@attribute P_VSA_v_1 numeric
@attribute ATS3e numeric
@attribute P_VSA_i_4 numeric
@attribute nH numeric
@attribute H.053 numeric
@attribute SpMin2_Bh.p. numeric
@attribute ATS4i numeric
@attribute ATS6p numeric
@attribute ATS5i numeric
@attribute Eig08_AEA.ed. numeric
@attribute ATSC1m numeric
@attribute SpMax1_Bh.v. numeric
@attribute nCIC numeric
@attribute ATS7i numeric
@attribute piPC09 numeric
@attribute ATSC5p numeric
@attribute ATSC5v numeric
@attribute H.047 numeric
@attribute Eig14_AEA.bo. numeric
@attribute ATS4e numeric
@attribute Eig07_AEA.ed. numeric
@attribute SpMin6_Bh.s. numeric
@attribute ATSC6v numeric
@attribute SpMin1_Bh.s. numeric
@attribute PHI numeric
@attribute P_VSA_p_3 numeric
@attribute pXC50 numeric

@data
{2 5,7 1.883,8 1,10 1,11 1,12 1,17 0.447,21 77.713,22 0.247,23 1,26 0.574,27 0.622,28 2,29 0.353,30 5.941,31 3.941,32 3.941,34 1.794,38 1.131,39 0.709,41 0.371,42 16,43 4.612,44 4.612,45 73602,46 6,47 1.824,48 32.752,49 0.063,50 20,51 0.8,52 9,53 1.912,54 5,55 1,56 0.607,57 364.904,58 2.087,59 10.854,60 1.963,61 61.268,62 12.718,63 5.726,64 11.801,65 13.229,67 0.71,68 1.064,69 5.497,70 2.12,71 35.754,72 5.891,73 1.856,74 4.674,75 1.197,76 459.073,77 5.436,78 2.731,79 2.731,80 1.623,81 2,82 2,83 3.952,84 5.497,85 6.493,86 3.399,87 0.935,88 0.081,89 77.468,90 1.063,91 7.336,92 9.711,93 3.742,94 5.634,95 2.454,96 1.38,97 459.073,98 5.416,99 2.501,100 10.889,101 8.568,102 27.468,103 44.68,104 74.061,105 2.048,106 4.612,107 19.796,108 459.073,109 8.637,110 36.327,111 459.073,112 459.073,113 459.073,114 5.428,115 77.713,116 43,117 2,118 2.113,119 5.836,120 4.928,121 5.986,122 5.157,123 19.502,124 4.011,125 5,126 6.037,127 7.37,128 26.258,129 37.113,130 27,131 2.512,132 5.623,133 5.348,134 1.01,135 38.518,136 1.482,137 11.385,138 209.136,139 6.24}
{0 CHEMBL100879,1 2.349,2 8,3 1,4 1,5 118.575,6 1,7 1.783,8 1.167,9 1,10 3,11 2,12 2,13 2,14 0.167,15 1,16 1,17 0.437,18 4,21 25.648,22 0.268,23 0.6,24 1,25 1,26 0.439,27 0.674,28 1,29 0.297,30 6.141,31 4.141,32 4.141,33 2,34 1.661,35 3.045,36 5.283,37 7.298,38 1.037,39 2.318,40 4.461,41 0.358,43 4.226,44 4.226,45 69642,46 3,47 1.702,48 21.337,49 0.162,51 0.8,52 7,53 2.041,54 7,55 2,56 0.807,57 364.904,58 2.433,59 10.454,60 1.847,61 38.606,62 12.308,63 5.542,64 11.407,65 12.83,66 4,67 0.69,68 1.06,69 5.277,70 2.052,71 19.218,72 5.258,73 1.205,74 4.051,75 1.114,76 384.411,77 22.856,78 1.372,79 1.372,80 1.027,81 1,82 1,83 3.91,84 5.246,85 6.64,86 3.069,87 0.669,88 0.077,89 44.755,90 1.007,91 6.985,92 9.27,93 3.534,94 5.248,95 5.004,96 1.01,97 364.904,98 5.429,99 2.126,100 10.509,101 8.52,102 17.639,103 30.018,104 17.227,105 2.15,106 4.883,107 13.498,108 364.904,109 7.841,110 30.915,111 364.904,112 364.904,113 364.904,114 5.059,115 25.648,116 31,118 2.019,119 5.421,120 4.241,121 5.506,122 4.544,123 14.858,124 3.94,125 5,126 5.373,127 6.833,128 15.413,129 21.483,130 26,131 2,132 5.204,133 5.017,134 0.754,135 18.637,136 1.363,137 7.136,138 160.343,139 9.523}
{0 CHEMBL101340,2 2,7 1.832,8 1,16 1,17 0.443,21 52.807,22 0.225,23 1,25 1,26 0.471,27 0.676,29 0.333,30 6.461,31 4.461,32 4.461,33 1,34 1.248,35 2.398,36 4.443,37 6.26,38 0.708,39 0.436,40 4.018,41 0.968,43 4.193,44 4.193,45 2041,47 1.324,48 3.949,49 0.337,52 2,53 1.774,54 2,56 0.636,57 82.398,58 1.087,59 9.67,60 1.585,61 19.724,62 11.345,63 5.382,64 10.472,65 11.89,67 0.733,68 0.924,69 4.364,70 1.998,71 3.642,72 3.563,73 -0.659,74 2.565,75 1.147,76 82.398,78 -3.769,79 -3.769,80 -1.054,83 3.527,84 4.364,85 1.262,86 1.408,88 0.085,89 12.731,90 0.21,91 5.197,92 8.68,93 2.829,94 4.284,96 -1.309,97 127.278,98 3.434,99 0.203,100 9.618,101 5.875,102 4.905,103 15.332,104 4.211,105 1.947,106 5.335,107 3.888,108 90.157,109 7.008,110 7.203,111 82.398,112 82.398,113 82.398,114 4.078,115 97.687,116 9,118 1.682,119 4.218,120 2.927,121 4.04,122 2.893,123 2.485,124 3.879,125 2,126 3.86,127 5.336,128 3.068,129 3.33,130 7,131 -0.3,132 4.013,133 3,135 3.204,136 1.099,137 3.382,138 90.89,139 5.807}
{0 CHEMBL101361,1 2.299,2 8,3 1,4 1,5 133.456,6 1,7 1.777,8 1.16,9 1,10 3,11 2,12 2,13 2,14 0.16,15 1,16 1,17 0.44,18 5,21 25.648,22 0.251,23 0.6,24 1,25 1,26 0.472,27 0.674,28 1,29 0.3,30 6.141,31 4.141,32 4.141,33 1,34 1.728,35 2.398,36 4.727,37 6.843,38 1.02,39 2.184,40 4.469,41 0.34,43 4.226,44 4.226,45 97420,46 3,47 1.793,48 23.506,49 0.167,50 2,51 0.86,52 7,53 2,54 7,55 2,56 0.824,57 411.989,58 2.577,59 10.558,60 1.986,61 44.565,62 12.386,63 5.542,64 11.486,65 12.909,66 4,67 0.696,68 1.088,69 5.431,70 2.058,71 22.283,72 5.406,73 1.678,74 4.147,75 1.146,76 411.989,77 28.414,78 2.2,79 2.2,80 1.146,81 1,82 1,83 3.882,84 5.287,85 6.391,86 3.086,87 0.73,88 0.079,89 47.126,90 1.026,91 7.081,92 9.361,93 3.54,94 5.338,95 4.965,96 1.028,97 411.989,98 5.468,99 2.146,100 10.589,101 8.766,102 19.355,103 34.331,104 17.227,105 2.12,106 4.883,107 14.632,108 411.989,109 7.989,110 32.353,111 411.989,112 411.989,113 411.989,114 5.153,115 25.648,116 35,118 2.031,119 5.529,120 4.373,121 5.636,122 4.991,123 16.4,124 3.944,125 5,126 5.555,127 6.916,128 16.807,129 24.333,130 31,131 2,132 5.315,133 5.058,134 0.825,135 22.353,136 1.364,137 7.938,138 158.322,139 8.284}
{0 CHEMBL101411,1 4.374,2 8,3 2,4 2,5 124.177,6 1,7 1.782,8 1.16,9 1,10 3,11 2,12 2,13 2,14 0.16,15 1,16 1,17 0.438,18 4,21 25.648,22 0.251,23 0.6,24 1,25 1,26 0.485,27 0.676,28 2,29 0.316,30 6.141,31 4.141,32 4.141,33 1,34 1.727,35 2.398,36 4.727,37 6.843,38 0.968,39 0.943,40 4.452,41 0.337,42 1,43 4.226,44 4.226,45 84391,46 3,47 1.793,48 20.876,49 0.116,50 1,51 0.8,52 7,53 2.04,54 7,55 2,56 0.774,57 353.133,58 2.592,59 10.471,60 1.974,61 38.769,62 12.295,63 5.542,64 11.396,65 12.819,66 4,67 0.691,68 1.056,69 5.226,70 2.054,71 17.375,72 5.222,73 1.511,74 4.031,75 1.162,76 353.133,77 22.831,78 2.191,79 2.191,80 1.027,83 3.877,84 5.195,85 6.443,86 3.113,87 0.701,88 0.071,89 38.905,90 1.026,91 7.056,92 9.254,93 3.536,94 5.277,95 4.937,96 1.01,97 353.133,98 5.438,99 2.185,100 10.501,101 8.649,102 17.791,103 30.762,104 17.227,105 2.145,106 4.883,107 12.891,108 353.133,109 7.84,110 28.402,111 353.133,112 353.133,113 353.133,114 5.087,115 25.648,116 30,118 2.025,119 5.424,120 4.197,121 5.444,122 4.887,123 13.526,124 3.941,125 5,126 5.305,127 6.885,128 14.491,129 20.227,130 29,131 2,132 5.2,133 5.017,134 0.825,135 17.742,136 1.362,137 7.418,138 182.31,139 7.161}
{0 CHEMBL101596,1 2.291,2 8,3 1,4 1,5 118.393,6 1,7 1.782,8 1.167,9 1,10 3,11 2,12 2,13 2,14 0.167,15 1,16 1,17 0.436,18 4,21 25.648,22 0.268,23 0.6,24 1,25 1,26 0.439,27 0.674,28 1,29 0.297,30 6.141,31 4.141,32 4.141,33 2,34 1.66,35 3.045,36 5.283,37 7.286,38 1.035,39 2.36,40 4.463,41 0.361,43 4.226,44 4.226,45 69427,46 3,47 1.707,48 21.463,49 0.151,50 1,51 0.8,52 7,53 2.041,54 7,55 2,56 0.807,57 364.904,58 2.404,59 10.443,60 1.857,61 38.734,62 12.303,63 5.542,64 11.4,65 12.825,66 4,67 0.69,68 1.127,69 5.277,70 2.053,71 18.602,72 5.187,73 1.181,74 4.026,75 1.114,76 372.64,77 22.863,78 1.372,79 1.372,80 1.027,81 1,82 1,83 3.907,84 5.246,85 6.661,86 3.038,87 0.669,88 0.064,89 41.592,90 1.006,91 6.983,92 9.249,93 3.54,94 5.246,95 5.021,96 1.01,97 364.904,98 5.429,99 2.084,100 10.504,101 8.52,102 17.514,103 29.399,104 17.227,105 2.15,106 4.883,107 13.493,108 364.904,109 7.847,110 31.146,111 364.904,112 364.904,113 364.904,114 5.059,115 25.648,116 31,118 2.021,119 5.464,120 4.294,121 5.457,122 4.638,123 14.858,124 3.94,125 5,126 5.379,127 6.828,128 15.435,129 21.07,130 25,131 2,132 5.228,133 5.04,134 0.743,135 21.195,136 1.365,137 7.136,138 160.343,139 8.959}
{0 CHEMBL1019,2 4,7 2.106,8 1.133,13 1,14 0.133,15 1,17 0.439,21 131.107,22 0.192,23 0.667,26 0.853,27 0.706,29 0.842,30 5.339,31 3.339,32 3.339,33 1,34 1.338,35 2.398,36 4.443,37 6.26,38 0.608,41 0.803,43 4.049,44 4.049,45 4154,47 1.4,48 4.012,49 -0.002,53 2.082,56 1.023,57 70.627,58 1.176,59 9.736,60 1.597,61 15.406,62 11.465,63 5.332,64 10.588,65 12.004,67 0.686,68 1.001,69 4.644,70 2.098,71 3.022,72 3.225,73 -0.759,74 2.483,75 1.559,76 23.542,78 -4.009,79 -4.009,80 -1.301,83 3.636,84 4.564,86 2.118,88 0.068,89 14.656,90 0.339,91 7.153,92 8.515,93 2.886,94 4.16,96 -1.618,97 70.627,98 4.111,99 0.927,100 9.714,101 6.363,102 3.488,103 9.457,105 2.163,106 0.8,107 2.784,108 70.627,109 6.942,110 1.646,111 70.627,112 70.627,113 70.627,114 3.967,115 85.153,116 8,118 1.76,119 4,120 2.997,121 3.917,122 3,123 0.799,124 3.973,125 3,126 3.592,127 7.187,128 3.713,129 3.715,130 2,131 -0.118,132 3.827,133 3.394,135 3.454,136 1.147,137 2.688,138 113.095,139 6.292}
{0 CHEMBL1022,2 2,7 1.997,8 1,17 0.451,21 51.582,22 0.194,23 1,26 0.75,27 0.679,29 0.733,30 5.37,31 3.37,32 3.37,33 1,34 1.234,35 2.398,36 4.443,37 6.26,38 0.58,41 1.071,43 3.902,44 3.902,45 1306,47 1.304,48 3.248,49 0.069,53 1.909,56 0.825,57 58.856,58 0.796,59 9.342,60 1.525,61 13.913,62 10.997,63 5.125,64 10.147,65 11.556,67 0.712,68 1.065,69 4.011,70 1.962,71 2.418,72 2.574,73 -1.447,74 1.954,75 1.429,76 35.313,78 -5.883,79 -5.883,80 -1.814,83 3.618,84 4.011,86 1,88 0.078,89 9.217,90 0.105,91 5.614,92 8.201,93 2.815,94 3.962,96 -2,97 58.856,98 2.833,99 -0.445,100 9.304,101 5.513,102 3.505,103 9.354,105 2.034,106 0.8,107 2.634,108 58.856,109 6.446,110 2.543,111 58.856,112 58.856,113 58.856,114 3.78,115 51.582,116 7,118 1.709,119 3.766,120 2.767,121 3.576,122 2.352,123 1.428,124 3.867,125 2,126 3.237,127 5.528,128 2.309,129 2.543,130 3,131 -0.5,132 3.605,133 2.831,135 2.196,136 1.058,137 2.838,138 136.478,139 7.022}
{0 CHEMBL10316,2 4,7 1.821,8 1.133,13 1,14 0.133,15 1,16 1,17 0.437,18 2,21 34.796,22 0.236,23 0.667,25 1,26 0.567,27 0.7,29 0.353,30 5.529,31 3.529,32 3.529,33 1,34 1.359,35 2.398,36 4.443,37 6.293,38 0.609,39 0.907,40 4.333,41 0.869,43 3.919,44 3.919,45 3160,47 1.443,48 4.902,49 -0.066,52 3,53 2.195,54 3,55 1,56 0.91,57 129.482,58 1.084,59 9.585,60 1.704,61 16.413,62 11.305,63 5.208,64 10.436,65 11.849,66 1,67 0.673,68 0.825,69 4.459,70 2.022,71 3.124,72 3.42,73 -1.048,74 2.399,75 1.267,76 129.482,77 11.4,78 -4.372,79 -4.372,80 -1.336,83 3.591,84 4.31,85 2.26,86 1.689,88 0.068,89 5.934,90 0.345,91 5.537,92 8.339,93 2.748,94 4.4,96 -1.464,97 129.482,98 3.989,99 0.65,100 9.567,101 6.163,102 6.167,103 13.572,104 8.804,105 2.228,106 2.92,107 5.01,108 129.482,109 6.786,110 11.26,111 129.482,112 129.482,113 129.482,114 4.195,115 34.796,116 12,118 1.727,119 4.148,120 2.812,121 4.152,122 3,123 5.582,124 3.851,125 3,126 3.565,127 5.699,128 3.936,129 5.341,130 11,131 -0.5,132 3.964,133 3.13,134 0.059,135 4.748,136 1.11,137 2.252,138 59.524,139 8.097}
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{0 CHEMBL111771,2 4,5 73.698,7 1.992,8 1.143,9 1,13 1,14 0.143,17 0.437,20 5.807,21 49.976,22 0.248,23 0.667,26 0.675,27 0.638,29 0.5,30 6.452,31 4.452,32 4.452,33 2,34 1.592,35 3.045,36 5.283,37 7.31,38 0.763,41 0.794,42 3,43 4.25,44 4.25,45 6164,47 1.637,48 9.513,49 0.028,50 2,52 3,53 1.92,54 1,55 1,56 0.539,57 141.253,58 1.35,59 9.968,60 1.806,61 15.874,62 11.852,63 5.6,64 10.939,65 12.369,67 0.708,68 1.006,69 4.865,70 2.017,71 7.794,72 4.288,73 -0.466,74 3.132,75 1.313,76 153.024,78 -3,79 -3,80 -0.814,83 3.885,84 4.865,85 1.916,86 2.118,87 0.182,88 0.083,89 18.787,90 0.632,91 6.775,92 8.92,93 3.255,94 4.744,96 -1,97 176.567,98 4.454,99 0.927,100 10.045,101 6.711,102 10.48,103 13.827,104 5.969,105 2.065,106 1.36,107 8.331,108 176.567,109 7.728,110 17.858,111 176.567,112 176.567,113 176.567,114 4.533,115 49.976,116 17,118 1.848,119 4.699,120 3.586,121 4.763,122 3.326,123 10.403,124 4.013,125 3,126 4.525,127 6.579,128 8.562,129 10.716,130 5,131 0.491,132 4.502,133 3.5,134 0.426,135 9.781,136 1.235,137 3.465,138 78.581,139 7.01}
{0 CHEMBL112351,2 3,7 1.932,8 1.2,13 1,14 0.2,15 1,17 0.438,21 23.681,22 0.22,23 0.5,26 0.529,27 0.647,29 0.333,30 6.337,31 4.337,32 4.337,34 1.114,38 0.689,41 0.985,43 4.195,44 4.195,45 2689,47 1.154,48 5.935,49 0.301,52 2,53 1.714,54 1,55 1,56 0.485,57 70.627,58 1.412,59 9.836,60 1.465,61 19.894,62 11.509,63 5.359,64 10.62,65 12.042,67 0.743,68 0.786,69 4.287,70 2.129,71 0.445,72 2.512,73 -0.383,74 2.021,75 1.176,76 94.169,78 -4.258,79 -4.258,80 -1.129,83 3.444,84 4.287,85 -0.183,86 1,88 0.099,89 7.228,90 0.254,91 5.178,92 8.787,93 2.967,94 4.436,96 -1.441,97 139.049,98 4.06,99 -0.375,100 9.746,101 6.109,102 6.073,103 15.5,104 4.64,105 1.914,106 5.02,107 4.271,108 101.928,109 7.335,110 8.075,111 94.169,112 94.169,113 94.169,114 4.244,115 68.561,116 9,118 1.884,119 4.558,120 2.329,121 4.312,122 2.841,123 3.06,124 3.947,125 2,126 3.476,127 5.884,128 3.916,129 4.408,130 6,131 -0.166,132 4.34,133 3.274,135 1.816,136 1.341,137 2.899,138 49.956,139 5.469}
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{0 CHEMBL1186220,2 4,5 50.298,7 2.008,8 1.143,9 1,13 1,14 0.143,16 1,17 0.437,21 71.002,22 0.217,23 0.667,25 1,26 0.667,27 0.683,29 0.588,30 5.165,31 3.165,32 3.165,33 2,34 1.335,35 3.045,36 5.283,37 7.273,38 0.552,39 0.781,40 4.251,41 0.846,43 4.047,44 4.047,45 3040,47 1.426,48 4.02,49 0.032,52 2,53 2.195,54 2,56 0.829,57 105.94,58 1.022,59 9.508,60 1.704,61 8.681,62 11.339,63 5.429,64 10.462,65 11.878,66 1,67 0.673,68 1.046,69 4.547,70 2.021,71 3.777,72 3.595,73 -1.054,74 2.528,75 1.35,76 94.169,78 -4.502,79 -4.502,80 -1.526,83 3.537,84 4.547,85 1.711,86 1.754,88 0.058,89 6.774,90 0.384,91 6.283,92 8.34,93 2.846,94 4.305,96 -1.836,97 105.94,98 3.714,99 0.663,100 9.589,101 6.12,102 5.29,103 7.891,104 4.211,105 2.228,106 2.185,107 4.43,108 105.94,109 7.011,110 9.594,111 105.94,112 105.94,113 105.94,114 4.048,115 71.002,116 11,118 1.774,119 4.12,120 2.826,121 3.985,122 3,123 5.233,124 3.997,125 3,126 3.717,127 6.16,128 2.085,129 3.565,130 8,131 -0.374,132 3.865,133 3.09,134 0.02,135 3.245,136 1.141,137 2.068,138 57.78,139 6.796}
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{0 CHEMBL122404,1 1.641,2 15,3 1,5 112.845,7 1.872,8 1.381,9 2,11 1,12 1,13 4,14 0.381,15 2,17 0.422,18 1,21 19.91,22 0.282,23 0.2,26 0.423,27 0.673,29 0.333,30 5.751,31 3.751,32 3.751,33 1,34 1.662,35 2.398,36 4.844,37 7.066,38 1.03,39 0.437,41 0.608,42 8,43 4.317,44 4.317,45 55152,46 3,47 1.7,48 19.489,49 0.058,50 7,52 4,53 2.053,54 2,55 4,56 0.789,57 176.567,58 1.234,59 10.51,60 1.87,61 30.407,62 12.467,63 5.669,64 11.527,65 12.963,66 3,67 0.686,68 1.115,69 5.294,70 2.118,71 15.302,72 4.949,73 0.998,74 3.821,75 1.096,76 258.964,77 10.802,78 -0.172,79 -0.172,80 0.408,81 1,82 1,83 3.832,84 5.294,85 4.021,86 2.829,87 0.567,88 0.084,89 30.785,90 0.943,91 7.67,92 9.278,93 3.295,94 5.148,95 2.568,96 -0.051,97 270.735,98 5.778,99 1.926,100 10.59,101 8.458,102 16.626,103 22.186,104 20.815,105 2.192,106 3.349,107 11.659,108 270.735,109 8.04,110 22.635,111 270.735,112 270.735,113 270.735,114 4.95,115 19.91,116 24,117 1,118 2.015,119 5.354,120 4.112,121 5.378,122 4.309,123 11.217,124 4.095,125 5,126 5.121,127 7.338,128 13.915,129 19.77,130 13,131 1.076,132 5.135,133 4.936,134 0.673,135 17.432,136 1.523,137 3.871,138 99.464,139 6.975}
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{0 CHEMBL123448,2 7,5 41.876,7 1.934,8 1.385,9 1,11 1,12 1,13 3,14 0.462,15 1,17 0.432,21 3.124,22 0.296,23 0.333,26 0.471,27 0.618,29 0.526,30 5.5,31 3.5,32 3.5,33 1,34 1.498,35 2.398,36 4.949,37 7.209,38 0.997,41 1.119,42 3,43 4.28,44 4.28,45 5867,47 1.563,48 13.359,49 0.387,50 5,52 4,53 1.925,54 2,56 0.647,57 164.795,58 0.734,59 9.915,60 1.778,61 13.632,62 11.903,63 5.636,64 10.975,65 12.407,67 0.705,68 1.013,69 4.514,70 1.982,71 8.541,72 3.89,73 -0.767,74 2.587,75 1.088,76 219.615,78 -3.827,79 -3.827,80 -1.125,83 3.52,84 4.514,85 4.358,86 1.578,87 0.168,88 0.079,89 21.345,90 0.744,91 6.861,92 8.775,93 3.087,94 4.582,95 2.4,96 -1.44,97 188.338,98 4.554,99 0.503,100 10.051,101 6.704,102 11.103,103 12.778,104 9.28,105 2.091,106 1.605,107 8.035,108 188.338,109 7.368,110 15.778,111 188.338,112 188.338,113 188.338,114 4.405,115 3.124,116 16,118 1.882,119 4.759,120 3.461,121 4.674,122 3.069,123 7.058,124 4.107,125 3,126 4.383,127 6.883,128 9.35,129 11.634,130 9,131 -0.107,132 4.554,133 3.161,134 0.287,135 9.837,136 1.284,137 2.972,138 130.43,139 7.509}
{0 CHEMBL123769,2 5,7 1.941,8 1,11 1,12 1,17 0.444,18 2,21 25.58,22 0.226,23 1,26 0.667,27 0.622,29 0.49,30 5.941,31 3.941,32 3.941,34 1.794,38 1.034,39 -1.265,41 0.36,42 17,43 4.612,44 4.612,45 68781,46 2,47 1.824,48 27.783,49 0.097,50 20,52 7,53 1.908,54 4,56 0.546,57 364.904,58 2.157,59 10.83,60 1.946,61 44.917,62 12.674,63 5.726,64 11.759,65 13.187,66 5,67 0.711,68 1.012,69 5.184,70 2.117,71 29.595,72 5.628,73 1.891,74 4.502,75 1.289,76 435.531,77 10.754,78 2.74,79 2.74,80 1.457,83 3.963,84 5.159,85 5.439,86 3.46,87 0.825,88 0.087,89 62.594,90 1.01,91 7.647,92 9.694,93 3.74,94 5.488,95 2.411,96 1.38,97 435.531,98 5.338,99 2.706,100 10.85,101 8.497,102 23.102,103 34.5,104 18.513,105 2.05,106 4.612,107 17.14,108 435.531,109 8.604,110 31.902,111 435.531,112 435.531,113 435.531,114 5.3,115 25.58,116 37,117 2,118 2.112,119 5.671,120 4.78,121 5.812,122 5.058,123 16.372,124 4.017,125 5,126 5.813,127 7.661,128 24.079,129 31.623,130 25,131 2.544,132 5.486,133 5.348,134 0.98,135 32.824,136 1.482,137 10.074,138 221.48,139 5.99}
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{0 CHEMBL1242950,2 2,7 1.647,8 1,10 1,11 1,12 1,17 0.465,21 3.124,22 0.34,23 1,24 1,26 0.341,27 0.568,29 0.261,30 5.628,31 3.628,32 3.628,34 1.601,38 1.07,39 0.302,41 0.596,42 3,43 3.966,44 3.966,45 4401,46 1,47 1.668,48 18.198,49 -0.016,50 9,52 10,53 1.886,54 3,55 1,56 0.679,57 294.278,58 1.942,59 9.643,60 1.883,61 15.757,62 11.205,63 5.31,64 10.377,65 11.781,67 0.718,68 1.048,69 4.945,70 2.063,71 12.792,72 4.809,73 0.096,74 3.48,75 0.909,76 364.904,78 -2.015,79 -2.015,80 -0.704,83 3.773,84 4.945,85 12.038,86 2.129,87 0.606,88 0.077,89 23.659,90 1.098,91 4.58,92 8.469,93 3.384,94 5.193,95 2.549,96 -0.784,97 364.904,98 3.638,99 1.045,100 9.556,101 6.33,102 17.507,103 14.164,104 24.059,105 1.995,106 2.555,107 13.466,108 364.904,109 7.285,110 23.151,111 364.904,112 364.904,113 364.904,114 4.921,115 3.124,116 31,118 2.015,119 5.28,120 3.835,121 5.266,122 3.414,123 13.165,124 3.898,125 2,126 5.024,127 4.471,128 11.57,129 16.895,130 10,131 0.481,132 4.989,133 3.465,134 0.789,135 14.942,136 1.498,137 7.12,138 91.119,139 6.276}
{0 CHEMBL125294,2 5,7 1.941,8 1,11 1,12 1,17 0.444,21 61.601,22 0.228,23 1,26 0.667,27 0.622,29 0.49,30 5.941,31 3.941,32 3.941,34 1.794,38 1.043,39 -0.709,41 0.36,42 17,43 4.612,44 4.612,45 68781,46 2,47 1.824,48 29.154,49 0.096,50 20,52 7,53 1.908,54 4,56 0.512,57 364.904,58 2.157,59 10.83,60 1.958,61 49.342,62 12.674,63 5.726,64 11.759,65 13.187,66 2,67 0.711,68 1.001,69 5.246,70 2.12,71 32.177,72 5.726,73 1.702,74 4.543,75 1.289,76 435.531,78 2.74,79 2.74,80 1.38,83 3.965,84 5.223,85 6.023,86 3.46,87 0.825,88 0.087,89 66.03,90 1.018,91 7.647,92 9.694,93 3.743,94 5.546,95 2.459,96 1.168,97 435.531,98 5.338,99 2.706,100 10.85,101 8.497,102 24.652,103 37.189,104 52.048,105 2.05,106 4.612,107 18.101,108 435.531,109 8.624,110 32.674,111 435.531,112 435.531,113 435.531,114 5.342,115 61.601,116 39,117 2,118 2.112,119 5.704,120 4.836,121 5.86,122 5.058,123 17.478,124 4.02,125 5,126 5.897,127 7.661,128 23.948,129 33.29,130 25,131 2.544,132 5.505,133 5.348,134 0.982,135 35.304,136 1.482,137 10.074,138 211.534,139 6.4}
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{0 CHEMBL162436,1 7.516,2 10,3 4,4 3,5 209.035,7 1.973,8 1.207,9 2,10 3,11 1,12 1,13 3,14 0.207,15 1,16 1,17 0.428,18 1,21 23.034,22 0.229,23 0.5,25 1,26 0.652,27 0.659,28 4,29 0.421,30 5.83,31 3.83,32 3.83,33 1,34 1.809,35 2.398,36 4.844,37 7.05,38 0.872,39 2.428,40 4.893,41 0.402,42 10,43 4.209,44 4.209,45 96101,46 8,47 1.843,48 17.68,49 0.003,50 14,51 0.172,52 6,53 2.176,54 3,56 0.739,57 247.193,58 1.568,59 10.554,60 1.967,61 29.076,62 12.406,63 5.59,64 11.498,65 12.923,66 2,67 0.673,68 1.104,69 5.513,70 2.079,71 17.291,72 5.253,73 1.411,74 4.173,75 1.311,76 282.506,78 2.136,79 2.136,80 1.158,81 1,82 1,83 3.906,84 5.513,85 4.836,86 3.157,87 0.672,88 0.062,89 35.027,90 1.049,91 7.695,92 9.311,93 3.572,94 5.187,95 4.095,96 1,97 294.278,98 5.468,99 2.32,100 10.595,101 8.769,102 16.126,103 24.134,104 26.092,105 2.242,106 2.399,107 11.81,108 294.278,109 8.093,110 21.688,111 294.278,112 294.278,113 294.278,114 4.993,115 23.034,116 25,118 2.015,119 5.286,120 4.284,121 5.258,122 4.87,123 11.278,124 4.055,125 6,126 5.284,127 7.473,128 12.905,129 17.424,130 18,131 2.281,132 5.072,133 5.137,134 0.742,135 17.104,136 1.342,137 5.236,138 168.887,139 8.66}
{0 CHEMBL162490,1 5.381,2 9,3 3,4 2,5 185.715,7 1.934,8 1.261,9 2,10 4,11 1,12 1,13 3,14 0.261,15 1,16 1,17 0.429,18 1,21 23.034,22 0.24,23 0.4,25 1,26 0.534,27 0.681,28 4,29 0.303,30 5.842,31 3.842,32 3.842,33 1,34 1.721,35 2.398,36 4.844,37 7.05,38 0.906,39 2.686,40 4.644,41 0.44,42 4,43 4.211,44 4.211,45 56008,46 8,47 1.761,48 15.079,49 0.099,50 8,51 0.172,52 5,53 2.047,54 3,56 0.783,57 211.88,58 1.631,59 10.494,60 1.938,61 27.878,62 12.35,63 5.597,64 11.437,65 12.864,66 2,67 0.688,68 1.107,69 5.325,70 2.064,71 13.897,72 4.972,73 1.186,74 3.805,75 1.216,76 258.964,77 5.354,78 0.944,79 0.944,80 0.688,81 1,82 1,83 3.831,84 5.325,85 4.161,86 3.107,87 0.572,88 0.079,89 29.671,90 0.933,91 7.338,92 9.275,93 3.479,94 5.03,95 3.975,96 0.504,97 270.735,98 5.22,99 2.156,100 10.527,101 8.357,102 13.289,103 24.153,104 23.558,105 2.171,106 2.39,107 10.413,108 270.735,109 8.018,110 21.125,111 270.735,112 270.735,113 270.735,114 4.853,115 23.034,116 23,118 2.01,119 5.166,120 4.053,121 5.21,122 4.712,123 10.471,124 4.053,125 5,126 5.084,127 7.172,128 11.451,129 15.798,130 15,131 1.701,132 4.97,133 4.87,134 0.671,135 15.328,136 1.337,137 4.649,138 131.261,139 9.53}
{0 CHEMBL162501,1 7.43,2 9,3 4,4 3,5 166.778,7 1.957,8 1.261,9 2,10 3,11 1,12 1,13 3,14 0.261,15 1,16 1,17 0.426,18 1,21 23.034,22 0.238,23 0.4,25 1,26 0.574,27 0.676,28 4,29 0.323,30 5.822,31 3.822,32 3.822,33 1,34 1.72,35 2.398,36 4.844,37 7.05,38 0.859,39 2.389,40 4.598,41 0.451,42 4,43 4.209,44 4.209,45 45813,46 8,47 1.762,48 14.249,49 0.041,50 9,52 5,53 2.104,54 3,56 0.746,57 188.338,58 1.454,59 10.41,60 1.939,61 24.456,62 12.251,63 5.59,64 11.342,65 12.767,66 2,67 0.681,68 1.089,69 5.278,70 2.063,71 12.361,72 4.822,73 1.158,74 3.691,75 1.25,76 235.422,78 0.049,79 0.049,80 0.416,81 1,82 1,83 3.83,84 5.278,85 4.288,86 3.004,87 0.39,88 0.074,89 25.436,90 0.934,91 7.248,92 9.183,93 3.473,94 4.993,95 4.045,96 0.258,97 247.193,98 5.13,99 2.017,100 10.437,101 8.186,102 12.769,103 21.114,104 23.558,105 2.208,106 2.39,107 9.825,108 247.193,109 7.954,110 18.84,111 247.193,112 247.193,113 247.193,114 4.801,115 23.034,116 21,118 2.009,119 5.095,120 3.926,121 5.085,122 3.94,123 9.535,124 4.052,125 5,126 4.948,127 7.1,128 10.6,129 14.501,130 13,131 1.557,132 4.888,133 4.87,134 0.671,135 13.699,136 1.337,137 4.016,138 124.611,139 9.26}
{0 CHEMBL1626,2 3,7 1.813,8 1,11 1,12 1,17 0.446,21 3.124,22 0.275,23 1,26 0.5,27 0.604,29 0.462,30 6.069,31 4.069,32 4.069,33 1,34 1.636,35 2.398,36 4.595,37 6.529,38 0.979,41 0.688,42 15,43 4.524,44 4.524,45 5058,47 1.694,48 17.911,49 0.06,50 14,52 5,53 1.933,54 2,55 1,56 0.757,57 200.109,58 1.316,59 10.069,60 1.895,61 25.899,62 11.809,63 5.666,64 10.923,65 12.343,66 1,67 0.708,68 1.004,69 4.934,70 2.059,71 15.984,72 5.024,73 0.404,74 3.878,75 1.104,76 306.049,77 6.482,78 -1.577,79 -1.577,80 -0.427,83 3.763,84 4.934,85 5.616,86 2.5,87 0.481,88 0.105,89 31.266,90 1.007,91 6.282,92 9.027,93 3.302,94 5.061,95 2.45,96 -0.6,97 306.049,98 4.19,99 1.5,100 10.045,101 6.575,102 15.951,103 19.66,104 14.302,105 2.054,106 2.873,107 11.825,108 306.049,109 7.823,110 22.273,111 306.049,112 306.049,113 306.049,114 4.842,115 3.124,116 26,117 2,118 1.894,119 5.17,120 4.077,121 5.275,122 3.441,123 11.506,124 3.951,125 3,126 5.021,127 6.11,128 13.896,129 19.19,130 17,131 0.64,132 4.933,133 3.695,134 0.72,135 17.381,136 1.316,137 5.597,138 165.83,139 6.738}
{0 CHEMBL162682,1 5.733,2 9,3 3,4 2,5 177.038,7 1.958,8 1.261,9 2,10 3,11 1,12 1,13 3,14 0.261,15 1,16 1,17 0.425,18 1,21 23.034,22 0.255,23 0.4,25 1,26 0.554,27 0.67,28 4,29 0.313,30 5.828,31 3.828,32 3.828,33 1,34 1.721,35 2.398,36 4.844,37 7.05,38 0.988,39 3.422,40 4.636,41 0.445,42 4,43 4.209,44 4.209,45 50746,46 8,47 1.761,48 14.269,49 0.078,50 9,52 5,53 2.049,54 3,56 0.748,57 176.567,58 1.51,59 10.455,60 1.935,61 24.226,62 12.3,63 5.591,64 11.39,65 12.816,66 2,67 0.688,68 1.121,69 5.278,70 2.056,71 12.989,72 4.805,73 1.158,74 3.77,75 1.223,76 280.433,78 0.323,79 0.323,80 0.613,81 1,82 1,83 3.975,84 5.278,85 4.276,86 3.156,87 0.39,88 0.076,89 41.108,90 0.947,91 7.28,92 9.234,93 3.49,94 4.984,95 4.078,96 0.312,97 235.422,98 5.193,99 2.311,100 10.483,101 8.275,102 12.747,103 21.183,104 23.558,105 2.177,106 2.39,107 9.497,108 235.422,109 7.956,110 14.823,111 235.422,112 235.422,113 235.422,114 4.804,115 23.034,116 20,118 2.005,119 5.089,120 4.026,121 5.079,122 4.869,123 5.076,124 4.053,125 5,126 4.939,127 7.162,128 12.519,129 14.546,130 12,131 1.677,132 4.889,133 4.946,134 0.671,135 13.903,136 1.337,137 4.672,138 116.794,139 9.62}
{0 CHEMBL1627,2 4,7 1.866,8 1,10 1,11 1,12 1,17 0.444,21 21.135,22 0.249,23 1,26 0.591,27 0.606,29 0.5,30 6.304,31 4.304,32 4.304,34 1.794,38 1.017,39 -0.005,41 0.525,42 15,43 4.701,44 4.701,45 16333,47 1.824,48 24.028,49 0.104,50 14,52 6,53 1.941,54 3,56 0.763,57 270.735,58 1.726,59 10.561,60 1.926,61 35.404,62 12.356,63 5.828,64 11.444,65 12.871,67 0.706,68 1.044,69 4.832,70 2.098,71 26.175,72 5.479,73 1.077,74 4.313,75 1.197,76 341.362,78 2.136,79 2.136,80 1,83 3.901,84 4.832,85 4.254,86 2.945,87 0.692,88 0.105,89 55.141,90 1.01,91 6.603,92 9.496,93 3.612,94 5.33,95 2.355,96 1,97 341.362,98 4.92,99 2.054,100 10.539,101 7.473,102 20.796,103 26.862,104 31.931,105 2.064,106 3.702,107 14.478,108 341.362,109 8.49,110 25.806,111 341.362,112 341.362,113 341.362,114 5.13,115 21.135,116 31,117 4,118 2.049,119 5.499,120 4.582,121 5.65,122 4.36,123 13.708,124 3.986,125 4,126 5.61,127 6.453,128 19.581,129 27.33,130 23,131 2,132 5.288,133 4.785,134 0.825,135 27.904,136 1.429,137 7.306,138 211.895,139 9}
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{0 CHEMBL193435,2 11,7 1.87,8 1.333,11 1,12 1,13 3,14 0.333,15 1,17 0.427,18 1,21 49.078,22 0.265,23 0.25,26 0.543,27 0.641,29 0.462,30 5.657,31 3.657,32 3.657,33 1,34 1.589,35 2.398,36 4.844,37 7.066,38 0.977,41 0.768,42 8,43 4.26,44 4.26,45 22296,47 1.655,48 15.732,49 0.208,50 12,52 2,53 2,54 1,55 3,56 0.818,57 200.109,58 1.1,59 10.168,60 1.893,61 25.722,62 12.162,63 5.446,64 11.234,65 12.667,66 1,67 0.695,68 1.073,69 4.926,70 1.998,71 13.455,72 4.553,73 0.167,74 3.599,75 1.185,76 235.422,77 12.651,78 -1.711,79 -1.711,80 -0.172,83 3.774,84 4.926,85 1.967,86 2.799,87 0.373,88 0.058,89 39.481,90 0.853,91 7.51,92 9,93 3.285,94 4.918,95 2.195,96 -0.6,97 235.422,98 5.361,99 1.86,100 10.313,101 7.715,102 13.484,103 20.164,104 4.64,105 2.141,106 2.302,107 9.314,108 235.422,109 7.627,110 17.854,111 235.422,112 235.422,113 235.422,114 4.752,115 3.124,116 20,118 1.963,119 5.097,120 4.042,121 5.017,122 4.099,123 7.555,124 3.992,125 4,126 4.865,127 7.21,128 11.82,129 14.459,130 17,131 0.679,132 4.875,133 4.418,134 0.469,135 15.523,136 1.351,137 4.018,138 153.634,139 6.39}
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{0 CHEMBL193639,2 11,7 1.87,8 1.333,11 1,12 1,13 3,14 0.333,15 1,17 0.427,21 3.124,22 0.26,23 0.25,26 0.543,27 0.63,29 0.462,30 6.602,31 4.602,32 4.602,33 1,34 1.59,35 2.398,36 4.844,37 7.066,38 0.923,41 0.768,42 6,43 4.255,44 4.255,45 22296,47 1.656,48 16.658,49 0.172,50 11,52 2,53 2,54 1,55 3,56 0.639,57 215.069,58 1.1,59 10.168,60 1.892,61 19.989,62 12.162,63 5.446,64 11.234,65 12.667,67 0.695,68 0.937,69 4.926,70 1.986,71 12.421,72 4.589,73 0.575,74 3.548,75 1.174,76 267.642,77 6.373,78 -1.711,79 -1.711,80 -0.046,83 3.749,84 4.926,85 1.878,86 2.799,87 0.371,88 0.058,89 26.984,90 0.849,91 7.51,92 9,93 3.284,94 4.917,95 2.156,96 -0.412,97 250.382,98 5.361,99 1.86,100 10.313,101 7.715,102 13.995,103 17.601,104 4.64,105 2.141,106 5.9,107 9.62,108 235.422,109 7.615,110 19.341,111 235.422,112 235.422,113 235.422,114 4.744,115 18.084,116 20,118 1.959,119 5.087,120 3.958,121 5.02,122 4.099,123 9.259,124 4.004,125 4,126 4.882,127 7.21,128 12.235,129 14.66,130 17,131 0.679,132 4.862,133 4.418,134 0.469,135 14.716,136 1.351,137 3.921,138 138.58,139 7.141}
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{0 CHEMBL195810,2 5,7 1.917,8 1.091,13 1,14 0.091,15 1,17 0.435,18 1,20 5.807,21 113.941,22 0.251,23 0.75,26 0.588,27 0.647,29 0.459,30 6.714,31 4.714,32 4.714,34 1.831,38 0.996,41 0.399,42 8,43 4.355,44 4.355,45 39861,47 1.878,48 15.98,49 0.354,50 1,52 5,53 1.872,54 1,55 2,56 0.577,57 176.567,58 2.332,59 10.47,60 2.011,61 24.497,62 12.175,63 5.887,64 11.28,65 12.708,66 2,67 0.716,68 0.83,69 5.294,70 2.124,71 12.758,72 5.062,73 1.028,74 3.923,75 1.235,76 223.651,77 3.92,78 1.581,79 1.581,80 0.729,83 3.959,84 5.294,85 3.218,86 3.118,87 0.455,88 0.074,89 31.36,90 0.964,91 6.813,92 9.385,93 3.504,94 5.201,96 0.616,97 280.302,98 4.86,99 2.427,100 10.423,101 8.009,102 16.18,103 19.628,104 12.244,105 2.028,106 5.542,107 10.797,108 245.239,109 7.873,110 18.414,111 235.422,112 235.422,113 235.422,114 4.999,115 112.867,116 22,118 2.051,119 5.311,120 4.064,121 5.241,122 4.889,123 8.265,124 3.997,125 4,126 5.038,127 6.995,128 14.112,129 13.617,130 10,131 1.821,132 5.09,133 4.93,134 0.6,135 11.413,136 1.514,137 7.56,138 165.669,139 6.886}
{0 CHEMBL196400,2 15,5 113.369,7 1.827,8 1.381,9 2,11 1,12 1,13 4,14 0.381,15 2,17 0.422,18 1,21 19.91,22 0.306,23 0.2,26 0.365,27 0.663,29 0.333,30 5.852,31 3.852,32 3.852,33 1,34 1.688,35 2.398,36 4.844,37 7.066,38 1.101,39 -0.242,41 0.605,42 9,43 4.317,44 4.317,45 55192,47 1.734,48 21.65,49 0.013,50 8,52 6,53 2.053,54 2,55 5,56 0.826,57 200.109,58 1.234,59 10.513,60 1.907,61 19.535,62 12.466,63 5.669,64 11.527,65 12.962,67 0.686,68 1.119,69 5.378,70 2.131,71 17.113,72 5.009,73 0.914,74 3.835,75 1.029,76 282.506,77 5.042,78 -0.184,79 -0.184,80 0.46,83 3.855,84 5.378,85 5.801,86 2.862,87 0.571,88 0.079,89 32.559,90 0.97,91 7.552,92 9.279,93 3.255,94 5.271,95 2.588,96 -0.042,97 282.506,98 5.765,99 1.938,100 10.59,101 8.458,102 18.998,103 17.466,104 14.35,105 2.192,106 4.174,107 13.037,108 282.506,109 8.063,110 24.191,111 282.506,112 282.506,113 282.506,114 5.057,115 19.91,116 26,118 2.015,119 5.464,120 4.156,121 5.478,122 4.576,123 12.22,124 4.096,125 5,126 5.217,127 7.243,128 14.711,129 21.086,130 13,131 1.089,132 5.231,133 4.88,134 0.693,135 18.823,136 1.594,137 4.017,138 80.988,139 8.854}
{0 CHEMBL196451,2 16,5 223.211,7 1.828,8 1.296,9 2,11 1,12 1,13 4,14 0.296,15 2,17 0.432,18 1,21 37.921,22 0.289,23 0.333,26 0.447,27 0.645,29 0.372,30 5.781,31 3.781,32 3.781,33 1,34 1.877,35 2.398,36 4.844,37 7.066,38 1.14,39 -0.342,41 0.328,42 17,43 4.318,44 4.318,45 179408,47 1.904,48 28.065,49 -0.055,50 13,51 0.149,52 10,53 2.073,54 4,55 5,56 0.79,57 294.278,58 2.368,59 10.685,60 2.01,61 31.789,62 12.587,63 5.669,64 11.663,65 13.095,67 0.686,68 1.099,69 5.855,70 2.134,71 25.933,72 5.578,73 1.677,74 4.331,75 1.092,76 400.217,77 5.341,78 2.785,79 2.785,80 1.263,83 3.867,84 5.855,85 7.029,86 3.161,87 0.897,88 0.069,89 50.01,90 1.131,91 7.599,92 9.453,93 3.558,94 5.607,95 2.59,96 1.259,97 400.217,98 5.889,99 2.296,100 10.746,101 9.278,102 25.925,103 27.168,104 44.127,105 2.175,106 4.223,107 18.191,108 400.217,109 8.235,110 33.1,111 400.217,112 400.217,113 400.217,114 5.384,115 37.921,116 37,118 2.015,119 5.745,120 4.514,121 5.743,122 4.996,123 17.116,124 4.098,125 6,126 5.624,127 7.316,128 19.052,129 27.294,130 19,131 2.486,132 5.505,133 5.013,134 0.971,135 25.846,136 1.595,137 7.556,138 137.144,139 7.538}
{0 CHEMBL197,2 2,7 1.74,8 1,11 1,12 1,17 0.466,18 4,21 34.184,22 0.259,23 1,25 1,26 0.515,27 0.606,29 0.353,30 6.443,31 4.443,32 4.443,34 1.674,38 1.097,41 0.629,42 4,43 4.583,44 4.583,45 10376,47 1.716,48 25.618,49 0.288,50 5,51 0.8,52 5,53 1.744,54 2,55 1,56 0.876,57 400.217,58 1.888,59 10.337,60 1.893,61 33.058,62 12.039,63 5.669,64 11.16,65 12.576,67 0.74,68 1.173,69 5.005,70 2.063,71 23.536,72 5.497,73 1.127,74 4.189,75 1.121,76 447.302,77 21.583,78 0.49,79 0.49,80 0.936,83 3.859,84 4.864,85 4.448,86 2.919,87 0.579,88 0.106,89 47.487,90 1.003,91 5.234,92 9.297,93 3.454,94 5.257,95 2.313,96 0.933,97 447.302,98 4.043,99 2.057,100 10.283,101 7.034,102 20.228,103 28.701,104 11.815,105 1.905,106 5.034,107 15.231,108 447.302,109 8.161,110 30.795,111 447.302,112 447.302,113 447.302,114 5.067,115 34.184,116 38,118 2.021,119 5.55,120 4.427,121 5.712,122 4.365,123 16.926,124 3.938,125 2,126 5.594,127 5.411,128 18.362,129 27.33,130 25,131 1.594,132 5.319,133 4.433,134 0.667,135 25.856,136 1.411,137 10.501,138 182.198,139 6.451}
{0 CHEMBL198949,1 3.224,2 3,3 2,4 2,7 1.843,8 1,10 1,11 1,12 1,17 0.447,21 24.259,22 0.231,23 1,26 0.567,27 0.633,28 2,29 0.375,30 5.661,31 3.661,32 3.661,34 1.72,38 0.905,39 -0.281,41 0.499,42 7,43 3.957,44 3.957,45 15991,46 3,47 1.776,48 17.393,49 -0.047,50 5,51 0.149,52 4,53 1.837,54 4,55 1,56 0.601,57 262.153,58 2.351,59 10.159,60 1.944,61 35.22,62 11.824,63 5.298,64 10.961,65 12.375,67 0.722,68 1.005,69 5.318,70 2.069,71 14.528,72 4.995,73 1,74 3.886,75 1.2,76 282.506,80 0.617,83 3.853,84 5.318,85 2.84,86 2.943,87 0.592,88 0.076,89 33.825,90 0.901,91 6.409,92 8.996,93 3.358,94 5.122,95 4.102,96 0.423,97 297.467,98 4.511,99 2.003,100 10.114,101 7.328,102 14.366,103 25.924,104 29.558,105 1.993,106 3.306,107 10.966,108 282.506,109 7.603,110 21.369,111 282.506,112 282.506,113 282.506,114 4.917,115 39.219,116 25,118 2.005,119 5.249,120 4.096,121 5.22,122 4.663,123 10.522,124 3.909,125 3,126 5.079,127 6.212,128 12.588,129 17.059,130 18,131 1.394,132 5.009,133 4.768,134 0.679,135 16.767,136 1.34,137 7.515,138 181.667,139 6}
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{0 CHEMBL2,2 5,7 1.922,8 1.095,10 5,13 1,14 0.095,15 1,17 0.439,18 3,21 72.717,22 0.21,23 0.75,26 0.625,27 0.714,29 0.516,30 5.696,31 3.696,32 3.696,33 1,34 1.473,35 2.398,36 4.443,37 6.293,38 0.77,39 -0.111,41 0.499,43 4.12,44 4.12,45 23248,46 1,47 1.506,48 11.24,49 0.221,52 4,53 1.953,54 4,56 0.899,57 223.651,58 1.893,59 10.327,60 1.662,61 32.388,62 12.128,63 5.597,64 11.232,65 12.653,66 1,67 0.703,68 1.178,69 4.849,70 2.135,71 13.101,72 4.826,73 1.027,74 3.669,75 1.339,76 211.88,77 10.672,78 0.52,79 0.52,80 0.618,83 3.759,84 4.808,85 2.301,86 2.778,87 0.458,88 0.086,89 29.047,90 0.72,91 7.545,92 9.144,93 3.299,94 4.902,95 3.77,96 0.205,97 223.651,98 5.13,99 1.838,100 10.339,101 7.716,102 10.295,103 24.121,104 11.547,105 2.094,106 2.293,107 8.279,108 223.651,109 7.746,110 19.934,111 223.651,112 223.651,113 223.651,114 4.727,115 72.717,116 21,118 1.982,119 5.018,120 3.938,121 5.106,122 4.321,123 9.553,124 3.985,125 4,126 5.066,127 7.512,128 8.518,129 11.803,130 18,131 1.516,132 4.831,133 4.535,134 0.575,135 12.504,136 1.28,137 5.283,138 109.418,139 5.625}
{0 CHEMBL2022269,2 7,7 1.902,8 1.19,11 1,12 1,13 2,14 0.19,16 1,17 0.432,18 1,21 54.706,22 0.225,23 0.5,25 1,26 0.659,27 0.705,29 0.48,30 5.498,31 3.498,32 3.498,34 1.628,36 2.708,37 5.38,38 0.741,39 0.894,40 4.83,41 0.763,42 4,43 4.121,44 4.121,45 15273,46 1,47 1.698,48 8.577,49 0.013,50 3,52 4,53 2.129,54 4,56 0.839,57 164.795,58 0.942,59 10.06,60 1.891,61 29.792,62 11.919,63 5.508,64 11.018,65 12.441,66 3,67 0.679,68 1.022,69 4.669,70 2.031,71 10.69,72 4.518,73 0.178,74 3.544,75 1.364,76 153.024,77 5.952,78 -1.753,79 -1.753,80 -0.502,83 3.714,84 4.669,85 3.696,86 2.553,87 0.137,88 0.063,89 22.316,90 0.825,91 7.731,92 8.842,93 3.063,94 4.781,95 2.26,96 -0.6,97 164.795,98 5.05,99 1.544,100 10.121,101 7.385,102 9.359,103 20.915,104 8.423,105 2.205,106 1.954,107 6.386,108 164.795,109 7.34,110 13.171,111 164.795,112 164.795,113 164.795,114 4.578,115 54.706,116 15,118 1.958,119 4.723,120 3.854,121 4.641,122 3.603,123 6.16,124 3.922,125 4,126 4.759,127 7.422,128 6.523,129 8.438,130 13,131 0.617,132 4.514,133 3.897,134 0.218,135 9.236,136 1.257,137 3.641,138 125.829,139 6.137}
{0 CHEMBL2022272,2 8,7 1.908,8 1.148,10 1,11 2,12 2,13 2,14 0.148,16 1,17 0.434,18 1,21 39.82,22 0.226,23 0.6,25 1,26 0.683,27 0.675,29 0.529,30 5.5,31 3.5,32 3.5,34 1.816,36 2.708,37 5.38,38 0.835,39 0.904,40 4.958,41 0.442,42 4,43 4.123,44 4.123,45 51889,46 1,47 1.845,48 15.937,49 0.03,50 3,52 6,53 2.143,54 5,56 0.789,57 247.193,58 1.86,59 10.305,60 1.952,61 32.553,62 12.126,63 5.509,64 11.235,65 12.655,66 3,67 0.678,68 1.075,69 5.124,70 2.06,71 17.197,72 5.094,73 1.071,74 4.021,75 1.358,76 258.964,77 6.066,78 1.483,79 1.483,80 0.786,83 3.856,84 5.124,85 5.989,86 2.914,87 0.417,88 0.061,89 34.077,90 0.965,91 7.847,92 9.084,93 3.594,94 5.132,95 4.852,96 0.731,97 270.735,98 5.375,99 2.082,100 10.348,101 8.281,102 14.781,103 24.495,104 13.063,105 2.207,106 1.954,107 10.218,108 270.735,109 7.619,110 20.215,111 270.735,112 270.735,113 270.735,114 4.926,115 39.82,116 23,118 1.987,119 5.188,120 4.24,121 5.214,122 4.217,123 9.949,124 3.93,125 5,126 5.198,127 7.524,128 11.94,129 16.601,130 20,131 1.774,132 4.958,133 4.725,134 0.825,135 15.759,136 1.338,137 5.606,138 181.036,139 6.427}
{0 CHEMBL2022273,2 8,7 1.819,8 1.148,10 1,11 2,12 2,13 2,14 0.148,16 1,17 0.43,18 1,21 39.82,22 0.279,23 0.6,25 1,26 0.518,27 0.688,29 0.375,30 5.502,31 3.502,32 3.502,34 1.799,36 2.708,37 5.38,38 0.978,39 0.937,40 4.977,41 0.513,42 4,43 4.125,44 4.125,45 43592,46 1,47 1.834,48 17.617,49 -0.046,50 3,52 9,53 2.154,54 4,55 1,56 0.784,57 247.193,58 1.551,59 10.313,60 1.952,61 36.042,62 12.154,63 5.509,64 11.256,65 12.678,66 3,67 0.676,68 1.042,69 4.935,70 2.083,71 16.827,72 4.914,73 1.034,74 3.895,75 1.205,76 282.506,77 6.073,78 0.709,79 0.709,80 0.759,83 3.776,84 4.935,85 10.987,86 2.787,87 0.789,88 0.069,89 35.823,90 0.964,91 7.833,92 9.094,93 3.518,94 5.256,95 5.053,96 0.179,97 294.278,98 5.412,99 1.889,100 10.361,101 8.181,102 17.123,103 24.27,104 21.095,105 2.223,106 1.954,107 11.815,108 294.278,109 7.613,110 23.241,111 294.278,112 294.278,113 294.278,114 5.022,115 39.82,116 25,118 1.976,119 5.282,120 4.227,121 5.294,122 4.213,123 11.221,124 3.928,125 5,126 5.206,127 7.5,128 12.941,129 18.616,130 14,131 1.552,132 5.035,133 4.44,134 0.825,135 18.608,136 1.5,137 5.166,138 138.502,139 6.385}
{0 CHEMBL2022275,2 7,7 1.79,8 1.19,10 1,11 2,12 2,13 2,14 0.19,16 1,17 0.443,18 1,21 39.82,22 0.247,23 0.5,25 1,26 0.518,27 0.696,29 0.387,30 5.5,31 3.5,32 3.5,34 1.677,36 2.708,37 5.38,38 0.882,39 0.861,40 4.899,41 0.532,42 4,43 4.123,44 4.123,45 30467,46 1,47 1.74,48 14.266,49 0.035,50 3,52 8,53 2.049,54 8,56 0.887,57 258.964,58 1.903,59 10.185,60 1.914,61 33.948,62 12.035,63 5.509,64 11.138,65 12.56,66 3,67 0.691,68 0.986,69 5.123,70 2.047,71 15.69,72 5.062,73 1.067,74 3.913,75 1.214,76 247.193,77 11.393,78 0.362,79 0.362,80 0.733,83 3.716,84 5.123,85 5.484,86 2.766,87 0.4,88 0.063,89 32.447,90 0.957,91 7.798,92 8.975,93 3.353,94 5.088,95 4.627,96 0.185,97 258.964,98 5.278,99 1.867,100 10.246,101 7.894,102 13.289,103 24.917,104 19.713,105 2.137,106 1.954,107 9.435,108 258.964,109 7.442,110 21.592,111 258.964,112 258.964,113 258.964,114 4.883,115 39.82,116 23,118 1.959,119 5.107,120 4.126,121 5.178,122 3.832,123 10.142,124 3.924,125 4,126 5.128,127 7.473,128 10.647,129 14.982,130 21,131 1.276,132 4.884,133 4.217,134 0.825,135 14.474,136 1.317,137 6.32,138 137.119,139 6.345}
{0 CHEMBL2022280,2 7,7 1.89,8 1.19,10 1,11 2,12 2,13 2,14 0.19,16 1,17 0.431,18 1,21 39.82,22 0.225,23 0.5,25 1,26 0.63,27 0.707,29 0.462,30 5.5,31 3.5,32 3.5,34 1.655,36 2.708,37 5.38,38 0.783,39 0.905,40 4.865,41 0.729,42 4,43 4.123,44 4.123,45 17362,46 1,47 1.723,48 11.328,49 0.134,50 3,52 4,53 2.06,54 4,56 0.807,57 200.109,58 1.081,59 10.116,60 1.904,61 30.007,62 11.97,63 5.509,64 11.068,65 12.492,66 3,67 0.687,68 1.115,69 4.703,70 2.041,71 11.232,72 4.617,73 0.188,74 3.643,75 1.337,76 188.338,77 5.978,78 -1.428,79 -1.428,80 -0.132,83 3.715,84 4.703,85 3.884,86 2.753,87 0.189,88 0.072,89 23.914,90 0.825,91 7.762,92 8.912,93 3.107,94 4.828,95 4.61,96 -0.6,97 200.109,98 5.124,99 1.84,100 10.171,101 7.488,102 10.221,103 21.107,104 8.423,105 2.168,106 1.954,107 7.181,108 200.109,109 7.394,110 15.695,111 200.109,112 200.109,113 200.109,114 4.638,115 39.82,116 17,118 1.959,119 4.913,120 3.898,121 4.833,122 3.803,123 7.159,124 3.923,125 4,126 4.823,127 7.446,128 7.762,129 10.63,130 16,131 0.71,132 4.681,133 4.215,134 0.342,135 9.882,136 1.291,137 3.873,138 134.225,139 6.745}
{0 CHEMBL2031737,2 5,5 120.668,7 2.021,8 1.1,9 1,11 1,12 1,13 1,14 0.1,17 0.436,18 1,21 8.794,22 0.235,23 0.75,24 1,26 0.661,27 0.634,29 0.516,30 5.779,31 3.779,32 3.779,33 2,34 1.649,35 3.045,36 5.352,37 7.38,38 0.805,39 -0.162,41 0.445,42 9,43 4.093,44 4.093,45 24353,46 1,47 1.703,48 14.999,49 -0.035,50 11,52 5,53 1.953,54 2,55 1,56 0.464,57 176.567,58 2.24,59 10.202,60 1.911,61 19.66,62 12,63 5.471,64 11.119,65 12.536,66 1,67 0.703,68 0.98,69 5.149,70 2.098,71 10.301,72 4.649,73 1,74 3.717,75 1.295,76 258.964,78 0.962,79 0.962,80 0.591,83 3.852,84 5.149,85 5.499,86 2.955,87 0.419,88 0.086,89 21.026,90 1.056,91 7.807,92 9.088,93 3.438,94 5.052,95 2.483,96 0.445,97 258.964,98 4.898,99 2.089,100 10.243,101 7.696,102 13.943,103 17.729,104 11.815,105 2.094,106 4.612,107 10.528,108 258.964,109 7.909,110 19.046,111 258.964,112 258.964,113 258.964,114 4.845,115 8.794,116 22,118 1.988,119 5.107,120 3.829,121 5.026,122 4.128,123 9.775,124 4.049,125 4,126 4.745,127 7.409,128 10.427,129 14.273,130 13,131 1.563,132 4.889,133 4.424,134 0.503,135 11.564,136 1.251,137 5.186,138 123.57,139 5}
{0 CHEMBL2031873,2 6,7 1.792,8 1.077,10 1,11 1,12 1,13 1,14 0.077,15 1,17 0.435,21 24.259,22 0.291,23 0.8,26 0.469,27 0.641,29 0.333,30 5.732,31 3.732,32 3.732,33 2,34 1.569,35 3.045,36 5.13,37 6.952,38 0.981,39 0.185,41 0.356,42 14,43 4.136,44 4.136,45 47170,46 2,47 1.635,48 21.167,49 0.037,50 16,52 12,53 2.087,54 5,55 1,56 0.678,57 258.964,58 2.627,59 10.352,60 1.851,61 28.411,62 12.122,63 5.442,64 11.243,65 12.66,67 0.685,68 1.016,69 5.161,70 2.106,71 18.848,72 5.226,73 1.315,74 4.065,75 1.109,76 376.675,78 1.554,79 1.554,80 0.822,83 3.799,84 5.118,85 13.01,86 3,87 0.865,88 0.076,89 33.655,90 1.211,91 7.716,92 9.169,93 3.674,94 5.432,95 4.474,96 0.744,97 376.675,98 5.22,99 2.097,100 10.367,101 8.203,102 21.95,103 23.516,104 49.405,105 2.174,106 2.293,107 15.94,108 376.675,109 7.952,110 29.057,111 376.675,112 376.675,113 376.675,114 5.182,115 24.259,116 33,118 1.979,119 5.433,120 4.223,121 5.332,122 4.421,123 15.083,124 4.006,125 5,126 5.237,127 7.343,128 13.077,129 18.679,130 18,131 1.762,132 5.175,133 4.743,134 1.084,135 17.9,136 1.335,137 6.497,138 119.941,139 5.523}
{0 CHEMBL2031874,2 5,7 1.839,8 1.095,10 1,11 1,12 1,13 1,14 0.095,15 1,17 0.438,21 9.373,22 0.257,23 0.75,26 0.517,27 0.647,29 0.375,30 5.732,31 3.732,32 3.732,33 1,34 1.558,35 2.398,36 4.443,37 6.26,38 0.899,39 0.158,41 0.444,42 6,43 4.137,44 4.137,45 26541,46 2,47 1.628,48 19.046,49 0.265,50 10,52 8,53 1.955,54 5,56 0.661,57 270.735,58 2.38,59 10.286,60 1.847,61 22.382,62 12.036,63 5.442,64 11.153,65 12.571,67 0.703,68 1.068,69 4.935,70 2.106,71 15.618,72 4.977,73 1,74 3.875,75 1.164,76 341.362,78 1.372,79 1.372,80 0.744,83 3.788,84 4.888,85 8.388,86 2.813,87 0.768,88 0.089,89 28.907,90 1.093,91 7.662,92 9.121,93 3.418,94 5.203,95 6.035,96 0.479,97 341.362,98 5.081,99 1.911,100 10.274,101 7.788,102 18.077,103 20.97,104 24.381,105 2.09,106 2.293,107 13.073,108 341.362,109 7.893,110 25.334,111 341.362,112 341.362,113 341.362,114 4.983,115 9.373,116 29,118 1.981,119 5.327,120 4.091,121 5.238,122 4.317,123 13.153,124 4.004,125 4,126 5.086,127 7.278,128 11.998,129 17.383,130 23,131 1.618,132 5.085,133 4.73,134 0.815,135 16.938,136 1.335,137 5.911,138 126.596,139 5.523}
{0 CHEMBL2031876,2 6,7 1.809,8 1.077,10 1,11 1,12 1,13 1,14 0.077,15 1,17 0.433,21 9.373,22 0.285,23 0.8,26 0.469,27 0.648,29 0.333,30 5.732,31 3.732,32 3.732,33 2,34 1.578,35 3.045,36 5.209,37 7.111,38 0.997,39 0.296,41 0.368,42 12,43 4.138,44 4.138,45 49093,46 2,47 1.643,48 22.011,49 0.085,50 16,52 11,53 2.043,54 6,55 1,56 0.656,57 235.422,58 2.594,59 10.42,60 1.854,61 30.186,62 12.211,63 5.443,64 11.324,65 12.743,67 0.69,68 0.966,69 5.303,70 2.106,71 19.307,72 5.155,73 1.312,74 4.029,75 1.117,76 388.446,78 1.561,79 1.561,80 1,83 3.804,84 5.261,85 11.455,86 2.999,87 0.861,88 0.087,89 34.824,90 1.177,91 7.753,92 9.259,93 3.656,94 5.411,95 6.458,96 0.822,97 388.446,98 5.263,99 2.089,100 10.44,101 8.249,102 21.603,103 25.713,104 31.556,105 2.154,106 2.293,107 15.663,108 388.446,109 8.015,110 29.298,111 388.446,112 388.446,113 388.446,114 5.169,115 9.373,116 33,118 1.979,119 5.448,120 4.252,121 5.408,122 4.502,123 15.08,124 4.008,125 5,126 5.283,127 7.382,128 14.065,129 20.125,130 20,131 1.846,132 5.206,133 4.744,134 1.024,135 19.045,136 1.335,137 6.233,138 125.803,139 5.523}
{0 CHEMBL2031877,2 6,7 1.809,8 1.077,10 1,11 1,12 1,13 1,14 0.077,15 1,17 0.433,21 9.373,22 0.285,23 0.8,26 0.469,27 0.648,29 0.333,30 5.732,31 3.732,32 3.732,33 2,34 1.578,35 3.045,36 5.209,37 7.111,38 0.997,39 0.296,41 0.368,42 12,43 4.138,44 4.138,45 49093,46 2,47 1.643,48 22.011,49 0.085,50 16,52 11,53 2.043,54 6,55 1,56 0.656,57 235.422,58 2.594,59 10.42,60 1.854,61 30.186,62 12.211,63 5.443,64 11.324,65 12.743,67 0.69,68 0.966,69 5.303,70 2.106,71 19.307,72 5.155,73 1.312,74 4.029,75 1.117,76 388.446,78 1.561,79 1.561,80 1,83 3.804,84 5.261,85 11.455,86 2.999,87 0.861,88 0.087,89 34.824,90 1.177,91 7.753,92 9.259,93 3.656,94 5.411,95 6.458,96 0.822,97 388.446,98 5.263,99 2.089,100 10.44,101 8.249,102 21.603,103 25.713,104 31.556,105 2.154,106 2.293,107 15.663,108 388.446,109 8.015,110 29.298,111 388.446,112 388.446,113 388.446,114 5.169,115 9.373,116 33,118 1.979,119 5.448,120 4.252,121 5.408,122 4.502,123 15.08,124 4.008,125 5,126 5.283,127 7.382,128 14.065,129 20.125,130 20,131 1.846,132 5.206,133 4.744,134 1.024,135 19.045,136 1.335,137 6.233,138 125.803,139 5.523}
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{0 CHEMBL41,2 2,7 1.831,8 1,17 0.457,18 1,21 18.011,22 0.228,23 1,26 0.568,27 0.602,29 0.522,30 6.46,31 4.46,32 4.46,34 1.522,38 0.75,41 0.775,42 10,43 4.171,44 4.171,45 3540,47 1.593,48 9.825,49 0.301,50 9,52 2,53 1.821,54 1,55 1,56 0.591,57 176.567,58 1.38,59 9.802,60 1.834,61 21.258,62 11.429,63 5.314,64 10.567,65 11.983,67 0.727,68 0.856,69 4.584,70 2.041,71 11.058,72 4.714,73 0.51,74 3.526,75 1.17,76 200.109,77 5.863,78 -2.347,79 -2.347,80 -0.433,83 3.813,84 4.584,85 1.474,86 2.5,87 0.218,88 0.079,89 19.671,90 0.667,91 6.171,92 8.759,93 3.112,94 4.726,96 -0.648,97 244.989,98 4.007,99 1.5,100 9.729,101 6.286,102 10.1,103 17.549,104 4.64,105 1.959,106 5.335,107 7.684,108 207.868,109 7.254,110 16.34,111 200.109,112 200.109,113 200.109,114 4.518,115 62.891,116 18,117 2,118 1.962,119 4.811,120 3.712,121 4.751,122 3.333,123 7.573,124 3.896,125 2,126 4.728,127 6.002,128 8.012,129 10.019,130 15,131 0.5,132 4.586,133 3.414,134 0.218,135 10.725,136 1.27,137 5.591,138 117.697,139 7.4}
{0 CHEMBL411,2 2,7 1.921,8 1,17 0.46,22 0.236,23 1,26 0.725,27 0.55,29 0.571,30 5.258,31 3.258,32 3.258,34 1.555,38 0.775,39 2.552,41 0.932,42 12,43 4.1,44 4.1,45 2638,46 2,47 1.601,48 12.063,49 -0.002,50 21,52 2,53 1.818,56 0.988,57 211.88,58 1.16,59 9.751,60 1.782,61 4.405,62 11.443,63 5.172,64 10.578,65 11.991,67 0.727,68 0.94,69 3.584,70 2.06,71 13.696,72 4.509,73 -0.459,74 3.443,75 1.275,76 211.88,78 -3,79 -3,80 -1,81 2,82 2,83 3.786,84 3.584,85 1.851,86 2.186,87 0.218,88 0.095,89 25.233,90 0.92,91 6.593,92 8.6,93 3.189,94 4.672,96 -1.051,97 211.88,98 3.497,99 1.169,100 9.717,101 6.094,102 11.244,103 10.022,104 5.069,105 1.966,107 8.998,108 211.88,109 7.408,110 14.544,111 211.88,112 211.88,113 211.88,114 4.469,116 20,118 1.936,119 4.698,120 3.961,121 4.922,122 3.414,123 8.888,124 3.962,125 2,126 4.979,127 6.46,128 10.852,129 15.179,130 8,131 0.444,132 4.508,133 3.414,134 0.218,135 17.007,136 1.305,137 4.723,138 111.272,139 4.85}
{0 CHEMBL415,2 6,7 1.844,8 1.267,11 1,12 1,13 2,14 0.267,17 0.444,21 6.249,22 0.255,23 0.333,26 0.568,27 0.625,29 0.5,30 5.444,31 3.444,32 3.444,34 1.591,36 2.708,37 5.38,38 0.9,41 0.826,42 11,43 4.159,44 4.159,45 10367,47 1.667,48 16.802,49 0.162,50 14,52 5,53 1.941,54 2,56 0.756,57 247.193,58 1.05,59 9.948,60 1.899,61 26.506,62 11.795,63 5.398,64 10.897,65 12.32,66 1,67 0.706,68 1.151,69 4.792,70 2.034,71 13.837,72 4.748,73 -0.098,74 3.651,75 1.193,76 270.735,78 -2,79 -2,80 -0.6,83 3.759,84 4.747,85 5.41,86 2.417,87 0.469,88 0.074,89 30.335,90 0.814,91 7.161,92 8.772,93 3.225,94 4.934,95 4.69,96 -0.761,97 270.735,98 4.771,99 1.404,100 10.006,101 7.073,102 14.466,103 19.841,104 11.815,105 2.07,106 1.2,107 10.33,108 270.735,109 7.407,110 19.681,111 270.735,112 270.735,113 270.735,114 4.718,115 6.249,116 23,117 2,118 1.984,119 5.127,120 4.048,121 5.105,122 3.597,123 10.198,124 3.98,125 3,126 4.907,127 6.899,128 12.475,129 17.625,130 17,131 0.601,132 4.866,133 3.875,134 0.471,135 17.117,136 1.277,137 4.82,138 149.475,139 5.85}
{0 CHEMBL41929,2 5,7 1.911,8 1,11 1,12 1,16 1,17 0.444,18 1,21 25.58,22 0.238,23 1,25 1,26 0.6,27 0.622,28 1,29 0.367,30 5.941,31 3.941,32 3.941,34 1.794,38 1.103,39 0.38,40 4.49,41 0.366,42 15,43 4.612,44 4.612,45 68781,46 6,47 1.824,48 29.488,49 0.08,50 22,51 0.8,52 7,53 1.908,54 4,55 1,56 0.626,57 341.362,58 2.069,59 10.832,60 1.939,61 56.67,62 12.682,63 5.726,64 11.766,65 13.195,66 4,67 0.711,68 1.045,69 5.437,70 2.116,71 30.886,72 5.712,73 1.891,74 4.56,75 1.222,76 447.302,77 10.907,78 2.766,79 2.766,80 1.38,81 2,82 2,83 3.947,84 5.437,85 5.475,86 3.47,87 0.825,88 0.084,89 66.4,90 1.01,91 7.452,92 9.694,93 3.726,94 5.528,95 2.417,96 1.193,97 447.302,98 5.283,99 2.644,100 10.857,101 8.497,102 24.419,103 40.709,104 18.513,105 2.05,106 4.612,107 18.003,108 447.302,109 8.608,110 33.347,111 447.302,112 447.302,113 447.302,114 5.339,115 25.58,116 39,117 2,118 2.111,119 5.733,120 4.823,121 5.887,122 5.056,123 17.556,124 4.007,125 5,126 5.868,127 7.306,128 25.317,129 34.042,130 25,131 2.556,132 5.544,133 5.348,134 0.982,135 34.77,136 1.482,137 10.295,138 212.123,139 6.276}
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{0 CHEMBL42,2 7,7 1.89,8 1.19,10 1,11 2,12 2,13 2,14 0.19,16 1,17 0.431,21 41.045,22 0.23,23 0.5,25 1,26 0.63,27 0.685,29 0.462,30 5.457,31 3.457,32 3.457,34 1.668,36 2.708,37 5.38,38 0.802,39 1.03,40 4.967,41 0.729,42 6,43 4.138,44 4.138,45 17362,46 1,47 1.738,48 13.41,49 0.068,50 6,52 4,53 2.06,54 4,56 0.839,57 211.88,58 1.081,59 10.116,60 1.919,61 39.346,62 11.97,63 5.509,64 11.068,65 12.492,67 0.687,68 1.131,69 4.803,70 2.045,71 14.05,72 4.763,73 0.15,74 3.713,75 1.315,76 211.88,78 -1.428,79 -1.428,80 -0.155,83 3.751,84 4.803,85 4.077,86 2.753,87 0.272,88 0.072,89 27.475,90 0.825,91 7.762,92 8.912,93 3.126,94 4.903,95 4.721,96 -0.6,97 211.88,98 5.124,99 1.84,100 10.171,101 7.488,102 11.901,103 23.849,104 8.423,105 2.168,106 1.954,107 8.309,108 211.88,109 7.486,110 17.013,111 211.88,112 211.88,113 211.88,114 4.692,115 41.045,116 19,118 1.989,119 5.014,120 4.006,121 4.951,122 3.803,123 8.36,124 3.961,125 4,126 4.965,127 7.446,128 8.802,129 12.665,130 18,131 0.71,132 4.763,133 4.215,134 0.366,135 12.335,136 1.293,137 3.913,138 139.586,139 7.469}
{0 CHEMBL420,1 1.409,2 1,3 1,7 1.911,8 1,16 1,17 0.472,21 99.12,22 0.199,23 1,25 2,26 0.643,27 0.607,29 0.429,30 5.325,31 3.325,32 3.325,34 1.045,38 0.621,39 -0.246,40 3.669,41 1.2,43 3.887,44 3.887,45 790,46 1,47 1.115,48 3.999,49 0.195,53 1.68,56 0.861,57 47.084,58 1,59 9.175,60 1.364,61 7.111,62 10.692,63 5.016,64 9.858,65 11.266,67 0.754,68 0.803,69 4.005,70 1.959,71 1.849,72 3.335,73 -1.279,74 2.402,75 1.25,76 35.313,78 -6.559,79 -6.559,80 -2,83 3.232,84 4.005,86 0.94,88 0.099,89 4.959,90 0.105,91 4.808,92 8.064,93 2.815,94 3.946,97 47.084,98 2.197,99 -0.689,100 9.042,101 5.159,102 3.475,103 8.006,104 32.897,105 1.842,106 1.744,107 2.971,108 47.084,109 6.376,110 3.709,111 47.084,112 47.084,113 47.084,114 3.767,115 99.12,116 8,118 1.753,119 3.885,120 2.545,121 3.491,122 2,123 2.182,124 3.871,125 1,126 3.348,127 4.808,128 1.795,129 2.07,130 3,131 -0.671,132 3.683,133 2.352,135 2.346,136 1.074,137 4.037,138 127.859,139 7.606}
{0 CHEMBL420060,2 3,7 1.732,8 1,11 1,12 1,17 0.45,18 1,21 30.508,22 0.254,23 1,26 0.397,27 0.69,29 0.194,30 5.976,31 3.976,32 3.976,34 1.666,38 0.979,39 0.623,41 0.47,43 4.212,44 4.212,45 16047,46 3,47 1.728,48 18.251,49 0.234,50 1,51 0.679,52 7,53 1.832,54 6,56 0.803,57 329.591,58 1.99,59 10.288,60 1.915,61 39.673,62 11.971,63 5.523,64 11.095,65 12.51,66 2,67 0.723,68 1.301,69 5.157,70 2.07,71 15.275,72 5.038,73 1.146,74 3.681,75 1.086,76 353.133,77 5.479,78 0.634,79 0.634,80 0.938,81 1,82 1,83 3.723,84 5.157,85 6.575,86 2.597,87 0.654,88 0.098,89 32.283,90 0.988,91 5.46,92 9.135,93 3.342,94 5.195,95 7.459,96 0.372,97 353.133,98 4.317,99 1.606,100 10.22,101 7.312,102 16.057,103 29.332,104 21.417,105 1.993,106 3.074,107 12.174,108 353.133,109 7.7,110 27.477,111 353.133,112 353.133,113 353.133,114 4.98,115 30.508,116 31,117 2,118 2.02,119 5.398,120 4.103,121 5.442,122 3.958,123 14.269,124 3.864,125 3,126 5.226,127 5.362,128 13.73,129 21.028,130 25,131 1.595,132 5.163,133 4.034,134 0.686,135 20.129,136 1.346,137 7.299,138 112.069,139 6.213}
{0 CHEMBL420830,1 4.453,2 8,3 2,4 2,5 118.047,6 1,7 1.782,8 1.16,9 1,10 3,11 2,12 2,13 2,14 0.16,15 1,16 1,17 0.439,18 4,21 25.648,22 0.249,23 0.6,24 1,25 1,26 0.5,27 0.674,28 2,29 0.324,30 6.141,31 4.141,32 4.141,33 1,34 1.727,35 2.398,36 4.727,37 6.843,38 0.933,39 0.951,40 4.455,41 0.348,43 4.226,44 4.226,45 75450,46 3,47 1.793,48 20.82,49 0.107,50 1,51 0.8,52 7,53 2.084,54 7,55 2,56 0.806,57 364.904,58 2.525,59 10.432,60 1.984,61 38.128,62 12.264,63 5.542,64 11.364,65 12.787,66 4,67 0.686,68 1.057,69 5.226,70 2.054,71 17.31,72 5.223,73 1.328,74 4.012,75 1.174,76 364.904,77 22.834,78 2.136,79 2.136,80 1.027,83 3.866,84 5.195,85 6.58,86 3.007,87 0.702,88 0.065,89 37.223,90 1.026,91 7.033,92 9.205,93 3.535,94 5.279,95 4.97,96 1.01,97 364.904,98 5.421,99 2.118,100 10.468,101 8.564,102 17.941,103 29.16,104 17.227,105 2.168,106 4.883,107 13.185,108 364.904,109 7.825,110 28.603,111 364.904,112 364.904,113 364.904,114 5.08,115 25.648,116 31,118 2.026,119 5.424,120 4.179,121 5.444,122 4.543,123 14.53,124 3.94,125 5,126 5.305,127 6.857,128 13.998,129 20.102,130 30,131 2,132 5.195,133 5.016,134 0.825,135 17.721,136 1.362,137 6.974,138 149.137,139 7.638}
{0 CHEMBL422597,1 4.462,2 8,3 2,4 2,5 109.008,6 1,7 1.796,8 1.16,9 1,10 3,11 2,12 2,13 2,14 0.16,15 1,16 1,17 0.437,18 3,21 25.648,22 0.251,23 0.6,24 1,25 1,26 0.516,27 0.669,28 2,29 0.343,30 6.14,31 4.14,32 4.14,33 1,34 1.727,35 2.398,36 4.727,37 6.843,38 0.896,39 0.995,40 4.441,41 0.35,43 4.209,44 4.209,45 62740,46 3,47 1.794,48 19.841,49 0.065,50 2,51 0.532,52 7,53 2.138,54 7,55 2,56 0.782,57 341.362,58 2.4,59 10.344,60 1.985,61 33.676,62 12.158,63 5.504,64 11.264,65 12.685,66 3,67 0.679,68 1.039,69 5.261,70 2.053,71 15.109,72 5.106,73 1.157,74 3.909,75 1.185,76 341.362,77 17.249,78 1.713,79 1.713,80 1.026,83 3.866,84 5.261,85 6.729,86 2.982,87 0.702,88 0.06,89 32.482,90 1.026,91 6.89,92 9.106,93 3.528,94 5.25,95 4.987,96 1,97 341.362,98 5.283,99 2.058,100 10.374,101 8.399,102 17.473,103 26.241,104 17.227,105 2.2,106 4.883,107 12.654,108 341.362,109 7.745,110 26.445,111 341.362,112 341.362,113 341.362,114 5.038,115 25.648,116 29,118 2.024,119 5.372,120 4.073,121 5.352,122 4.375,123 13.587,124 3.936,125 5,126 5.172,127 6.717,128 12.934,129 18.838,130 28,131 1.914,132 5.129,133 4.992,134 0.825,135 16.032,136 1.362,137 6.255,138 142.487,139 9.097}
{0 CHEMBL42335,2 4,7 1.841,8 1,10 1,11 1,12 1,17 0.444,21 101.265,22 0.245,23 1,25 2,26 0.577,27 0.628,28 1,29 0.286,30 6.428,31 4.428,32 4.428,34 1.716,38 1.031,39 -0.005,41 0.393,42 5,43 4.529,44 4.529,45 48255,46 3,47 1.764,48 22.179,49 -0.032,50 4,51 0.68,52 8,53 1.835,54 4,55 1,56 0.568,57 244.989,58 2.138,59 10.668,60 1.931,61 45.537,62 12.446,63 5.703,64 11.542,65 12.968,67 0.722,68 0.911,69 5.577,70 2.088,71 17.923,72 5.249,73 2.111,74 4.1,75 1.205,76 306.049,78 2.372,79 2.372,80 1.652,81 1,82 1,83 3.913,84 5.577,85 3.801,86 3.453,87 0.736,88 0.093,89 44.362,90 1.007,91 6.528,92 9.544,93 3.64,94 5.415,95 2.173,96 1.419,97 350.929,98 4.942,99 2.434,100 10.651,101 8.16,102 18.972,103 36.581,104 54.582,105 2.001,106 5.034,107 13.553,108 306.049,109 8.427,110 24.093,111 306.049,112 306.049,113 306.049,114 5.213,115 146.145,116 28,117 2,118 2.07,119 5.547,120 4.354,121 5.61,122 4.932,123 11.641,124 3.966,125 4,126 5.445,127 6.577,128 16.741,129 22.633,130 14,131 2.548,132 5.327,133 5.177,134 0.825,135 20.751,136 1.439,137 8.64,138 169.719,139 5.105}
{0 CHEMBL424917,2 5,7 1.912,8 1.091,11 1,12 1,13 1,14 0.091,15 1,17 0.433,21 41.045,22 0.235,23 0.75,26 0.586,27 0.655,29 0.531,30 5.592,31 3.592,32 3.592,34 1.72,38 0.925,41 0.498,42 8,43 4.349,44 4.349,45 28898,47 1.774,48 20.729,49 -0.021,50 11,52 4,53 1.902,54 4,56 0.782,57 238.611,58 1.772,59 10.44,60 1.925,61 49.132,62 12.183,63 5.595,64 11.285,65 12.708,67 0.71,68 1.15,69 5.124,70 2.14,71 14.753,72 4.955,73 1,74 3.831,75 1.241,76 282.506,78 0.258,79 0.258,80 0.436,83 3.85,84 5.124,85 2.826,86 2.732,87 0.492,88 0.095,89 30.977,90 0.933,91 7.758,92 9.296,93 3.443,94 5.161,95 4.795,96 0.179,97 309.238,98 5.069,99 1.748,100 10.396,101 7.843,102 15.7,103 29.268,104 6.317,105 2.061,106 1.565,107 11.671,108 294.278,109 8.053,110 23.276,111 294.278,112 294.278,113 294.278,114 4.955,115 56.005,116 27,118 2.072,119 5.424,120 4.123,121 5.429,122 4.683,123 12.394,124 4.026,125 4,126 5.124,127 7.656,128 14.677,129 21.525,130 18,131 1.283,132 5.161,133 4.73,134 0.643,135 16.613,136 1.352,137 5.367,138 133.039,139 5.57}
{0 CHEMBL425012,2 5,7 1.904,8 1.091,13 1,14 0.091,15 1,17 0.437,18 1,20 5.807,21 113.941,22 0.257,23 0.75,26 0.571,27 0.643,29 0.447,30 6.714,31 4.714,32 4.714,34 1.853,38 1.022,41 0.378,42 6,43 4.355,44 4.355,45 42957,47 1.896,48 17.634,49 0.365,50 1,52 6,53 1.875,54 2,55 2,56 0.573,57 235.422,58 2.452,59 10.474,60 2.02,61 19.497,62 12.167,63 5.887,64 11.276,65 12.703,66 2,67 0.716,68 0.855,69 5.361,70 2.12,71 12.997,72 5.099,73 1.083,74 3.957,75 1.214,76 247.193,77 3.927,78 1.635,79 1.635,80 0.909,83 3.958,84 5.226,85 4.27,86 3.168,87 0.504,88 0.077,89 33.778,90 1.055,91 6.666,92 9.39,93 3.511,94 5.256,96 0.658,97 303.845,98 4.828,99 2.427,100 10.422,101 8.042,102 17.834,103 18.047,104 14.35,105 2.027,106 5.542,107 11.814,108 268.782,109 7.891,110 21.036,111 258.964,112 258.964,113 258.964,114 5.051,115 112.867,116 24,118 2.061,119 5.388,120 4.089,121 5.314,122 4.896,123 9.522,124 3.996,125 4,126 5.102,127 6.941,128 15.24,129 15.585,130 11,131 1.921,132 5.156,133 5.09,134 0.695,135 12.593,136 1.542,137 8.095,138 167.775,139 6.854}
{0 CHEMBL425069,2 8,7 1.889,8 1.148,10 3,11 2,12 2,13 2,14 0.148,16 1,17 0.437,18 2,21 43.924,22 0.218,23 0.6,25 1,26 0.639,27 0.674,29 0.45,30 5.673,31 3.673,32 3.673,34 1.853,36 2.708,37 5.46,38 0.955,39 0.483,40 5.085,41 0.557,42 10,43 4.258,44 4.258,45 59298,46 2,47 1.872,48 18.219,49 0.105,50 9,51 0.521,52 4,53 1.964,54 4,56 0.777,57 317.82,58 1.778,59 10.608,60 1.967,61 56.928,62 12.512,63 5.593,64 11.595,65 13.024,66 4,67 0.701,68 1.224,69 5.215,70 2.05,71 22.928,72 5.516,73 1.409,74 4.505,75 1.313,76 317.82,77 10.945,78 2.246,79 2.246,80 1.146,83 3.84,84 5.215,85 3.587,86 3.355,87 0.584,88 0.078,89 48.046,90 1.05,91 8.206,92 9.426,93 3.607,94 5.228,95 6.359,96 1.08,97 317.82,98 5.73,99 2.43,100 10.684,101 8.491,102 15.589,103 36.212,104 26.311,105 2.103,106 2.012,107 11.578,108 317.82,109 8.052,110 25.631,111 317.82,112 317.82,113 317.82,114 5.052,115 43.924,116 28,118 2.027,119 5.388,120 4.578,121 5.481,122 4.979,123 12.259,124 3.976,125 5,126 5.539,127 7.854,128 14.622,129 19.875,130 27,131 2.124,132 5.192,133 5.03,134 0.655,135 19.965,136 1.293,137 7.277,138 208.158,139 6.772}
{0 CHEMBL425324,1 2.27,2 9,3 1,4 1,5 148.773,6 1,7 1.864,8 1.129,9 1,10 3,11 2,12 2,13 2,14 0.129,15 1,16 1,17 0.435,18 3,21 42.434,22 0.235,23 0.667,24 1,25 1,26 0.603,27 0.667,28 1,29 0.409,30 6.14,31 4.14,32 4.14,33 1,34 1.8,35 2.398,36 4.727,37 6.843,38 0.923,39 1.851,40 4.456,41 0.282,42 4,43 4.207,44 4.207,45 163841,46 4,47 1.83,48 22.827,49 0.045,50 8,51 0.578,52 7,53 2.108,54 7,55 2,56 0.727,57 376.675,58 3.215,59 10.566,60 1.987,61 36.381,62 12.367,63 5.501,64 11.475,65 12.897,66 4,67 0.682,68 1.091,69 5.491,70 2.058,71 21.37,72 5.303,73 1.721,74 4.208,75 1.269,76 353.133,77 17.551,78 2.465,79 2.465,80 1.324,81 1,82 1,83 3.876,84 5.491,85 6.376,86 3.215,87 0.825,88 0.058,89 42.859,90 1.027,91 7.451,92 9.345,93 3.673,94 5.398,95 4.981,96 1.146,97 376.675,98 5.557,99 2.427,100 10.593,101 9.168,102 19.737,103 27.588,104 17.227,105 2.187,106 4.883,107 14.218,108 376.675,109 8.011,110 28.84,111 376.675,112 376.675,113 376.675,114 5.202,115 42.434,116 32,118 2.033,119 5.55,120 4.39,121 5.47,122 4.947,123 14.642,124 3.945,125 6,126 5.465,127 7.17,128 15.442,129 20.96,130 26,131 2.5,132 5.314,133 5.188,134 0.93,135 21.726,136 1.365,137 7.731,138 181.563,139 9}
{0 CHEMBL425622,2 5,7 1.914,8 1.091,11 1,12 1,13 1,14 0.091,15 1,17 0.436,21 41.045,22 0.246,23 0.75,26 0.607,27 0.643,29 0.548,30 5.417,31 3.417,32 3.417,34 1.646,38 0.942,41 0.525,42 20,43 4.244,44 4.244,45 24503,47 1.707,48 20.543,49 0.042,50 15,52 4,53 1.953,54 4,55 1,56 1.026,57 341.362,58 1.742,59 10.334,60 1.897,61 37.414,62 12.115,63 5.659,64 11.215,65 12.639,67 0.703,68 1.081,69 4.909,70 2.151,71 18.353,72 5.197,73 1,74 3.972,75 1.25,76 341.362,78 -0.288,79 -0.288,80 0.081,83 3.84,84 4.909,85 4.435,86 2.76,87 0.642,88 0.076,89 31.559,90 1.04,91 7.787,92 9.116,93 3.555,94 5.178,95 4.853,96 0.021,97 341.362,98 5.03,99 1.813,100 10.326,101 7.716,102 17.258,103 25.47,104 8.423,105 2.094,106 1.2,107 13.151,108 341.362,109 7.813,110 24.878,111 341.362,112 341.362,113 341.362,114 4.95,115 41.045,116 30,118 2.053,119 5.334,120 4.29,121 5.386,122 4.298,123 13.76,124 4.042,125 4,126 5.202,127 7.652,128 13.956,129 20.902,130 19,131 1.199,132 5.079,133 4.545,134 0.755,135 21.284,136 1.325,137 5.452,138 138.034,139 5.601}
{0 CHEMBL425803,2 5,7 1.914,8 1.091,11 1,12 1,13 1,14 0.091,15 1,17 0.438,21 41.045,22 0.241,23 0.75,26 0.63,27 0.648,29 0.567,30 5.345,31 3.345,32 3.345,34 1.637,38 0.878,41 0.516,42 16,43 4.197,44 4.197,45 22600,47 1.705,48 18.589,49 0.022,50 14,52 5,53 2,54 4,56 1.025,57 317.82,58 1.739,59 10.28,60 1.897,61 35.943,62 12.04,63 5.636,64 11.147,65 12.568,67 0.696,68 1.048,69 4.977,70 2.148,71 16.254,72 5.033,73 1,74 3.845,75 1.278,76 317.82,78 -0.309,79 -0.309,80 0.021,83 3.84,84 4.977,85 5.407,86 2.635,87 0.642,88 0.079,89 28.414,90 1.009,91 7.726,92 9.047,93 3.513,94 5.117,95 4.85,96 -0.049,97 317.82,98 4.97,99 1.654,100 10.261,101 7.645,102 15.9,103 24.257,104 10.957,105 2.12,106 1.2,107 12.232,108 317.82,109 7.725,110 23.408,111 317.82,112 317.82,113 317.82,114 4.887,115 41.045,116 28,118 2.053,119 5.235,120 4.176,121 5.315,122 3.933,123 12.893,124 4.037,125 4,126 5.103,127 7.602,128 13.228,129 19.634,130 19,131 1.161,132 4.989,133 4.303,134 0.736,135 18.598,136 1.311,137 5.217,138 131.744,139 5.829}
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{0 CHEMBL492639,1 1.662,2 2,3 1,6 1,7 1.747,8 1,10 1,16 2,17 0.465,18 2,21 54.196,22 0.25,23 1,25 2,26 0.5,27 0.645,29 0.3,30 5.926,31 3.926,32 3.926,33 1,34 1.409,35 2.398,36 4.443,37 6.293,38 0.744,39 0.9,40 8.234,41 0.804,42 2,43 3.874,44 3.874,45 2777,46 1,47 1.48,48 7.047,49 -0.081,50 3,52 3,53 1.932,54 3,55 1,56 0.782,57 141.253,58 1.396,59 9.467,60 1.757,61 15.838,62 11.151,63 5.167,64 10.31,65 11.716,66 1,67 0.711,68 0.842,69 4.84,70 2.002,71 8.201,72 4.508,73 -0.59,74 3.312,75 1.145,76 200.109,77 10.895,78 -2.866,79 -2.866,80 -0.85,83 3.608,84 4.84,85 2.254,86 2.021,87 0.169,88 0.071,89 17.683,90 0.934,91 5.51,92 8.325,93 3.168,94 4.651,96 -0.919,97 211.88,98 3.555,99 0.857,100 9.471,101 6.033,102 8.122,103 14.817,104 8.804,105 2.025,106 4.746,107 7.392,108 211.88,109 6.862,110 15.946,111 211.88,112 211.88,113 211.88,114 4.416,115 54.196,116 19,118 1.786,119 4.442,120 3.516,121 4.557,122 3,123 8.75,124 3.858,125 2,126 4.573,127 5.499,128 5.947,129 8.671,130 11,131 -0.177,132 4.244,133 3.209,134 0.345,135 9.196,136 1.093,137 5.218,138 84.164,139 6.38}
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{0 CHEMBL493,1 2.04,2 18,3 1,4 1,5 564.535,7 1.839,8 1.393,9 4,10 5,11 1,12 1,13 6,14 0.429,15 2,17 0.416,21 90.123,22 0.305,23 0.286,26 0.326,27 0.68,28 1,29 0.204,30 6.488,31 4.488,32 4.488,33 3,34 1.737,35 3.434,36 5.938,37 8.189,38 1.512,39 0.043,41 0.41,42 13,43 4.831,44 4.831,45 377147,46 2,47 1.777,48 31.547,49 0.042,50 14,51 0.916,52 6,53 1.87,54 2,55 6,56 0.765,57 329.591,58 1.744,59 11.185,60 1.942,61 36.749,62 13.27,63 5.918,64 12.294,65 13.744,66 2,67 0.711,68 1.13,69 5.751,70 2.122,71 35.7,72 5.993,73 2.197,74 4.718,75 1.006,76 481.485,77 6.442,78 3.683,79 3.683,80 1.859,81 1,82 1,83 3.856,84 5.751,85 3.431,86 3.562,87 0.95,88 0.096,89 99.035,90 1.203,91 8.135,92 10.068,93 3.591,94 5.716,95 5.133,96 1.61,97 435.531,98 6.288,99 2.597,100 11.323,101 10.002,102 27.584,103 30.348,104 38.609,105 2.083,106 3.883,107 19.632,108 435.531,109 8.883,110 39.253,111 435.531,112 435.531,113 435.531,114 5.525,115 44.169,116 40,117 1,118 2.012,119 5.929,120 4.868,121 5.922,122 5.842,123 17.384,124 4.128,125 7,126 6.031,127 7.839,128 23.467,129 30.871,130 14,131 2.583,132 5.718,133 5.965,134 1.058,135 31.893,136 1.434,137 7.049,138 172.92,139 7.824}
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{0 CHEMBL522151,2 5,7 1.915,8 1.095,13 1,14 0.095,15 1,16 1,17 0.434,18 2,21 34.796,22 0.221,23 0.75,25 1,26 0.69,27 0.667,29 0.5,30 5.56,31 3.56,32 3.56,33 1,34 1.482,35 2.398,36 4.443,37 6.293,38 0.667,39 0.892,40 4.435,41 0.678,42 3,43 4.118,44 4.118,45 11219,47 1.527,48 8.189,49 -0.003,50 5,52 3,53 2.211,54 3,55 1,56 0.886,57 176.567,58 1.17,59 10.013,60 1.707,61 16.413,62 11.821,63 5.434,64 10.928,65 12.348,66 1,67 0.67,68 0.837,69 4.831,70 2.072,71 7.63,72 4.362,73 0.172,74 3.349,75 1.357,76 176.567,77 12.048,78 -1.904,79 -1.904,80 -0.539,83 3.701,84 4.831,85 2.182,86 2.5,87 0.218,88 0.067,89 14.648,90 0.893,91 7.117,92 8.765,93 3.183,94 4.699,96 -0.879,97 176.567,98 4.812,99 1.5,100 10.036,101 7.138,102 9.311,103 13.572,104 8.804,105 2.246,106 2.92,107 7.042,108 176.567,109 7.385,110 14.217,111 176.567,112 176.567,113 176.567,114 4.505,115 34.796,116 16,118 1.897,119 4.558,120 3.611,121 4.624,122 3.348,123 7.326,124 3.961,125 4,126 4.438,127 6.936,128 7.196,129 8.942,130 15,131 0.591,132 4.386,133 3.549,134 0.276,135 9.037,136 1.201,137 3.279,138 103.8,139 6.62}
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{0 CHEMBL531,2 12,5 105.303,7 1.816,8 1.438,9 2,11 1,12 1,13 4,14 0.5,15 2,17 0.433,21 19.91,22 0.356,23 0.25,26 0.364,27 0.625,29 0.4,30 6.109,31 4.109,32 4.109,33 1,34 1.534,35 2.398,36 4.727,37 6.862,38 1.166,41 0.774,42 10,43 4.338,44 4.338,45 20236,47 1.585,48 20.595,49 -0.006,50 11,52 6,53 2.063,54 3,55 3,56 1.052,57 223.651,58 1.033,59 10.27,60 1.81,61 17.54,62 12.232,63 5.689,64 11.292,65 12.728,67 0.687,68 1.086,69 5.137,70 2.134,71 17.752,72 4.907,73 0.267,74 3.74,75 0.989,76 314.726,78 -1.271,79 -1.271,80 -0.215,83 3.722,84 5.137,85 7.718,86 2.323,87 0.568,88 0.062,89 36.326,90 0.968,91 7.471,92 9,93 3.325,94 5.108,95 2.795,96 -0.5,97 294.278,98 5.407,99 1.274,100 10.356,101 7.675,102 17.441,103 16.251,104 12.715,105 2.176,106 5.9,107 13.026,108 294.278,109 7.789,110 25.868,111 294.278,112 294.278,113 294.278,114 4.873,115 19.91,116 26,117 1,118 1.936,119 5.313,120 4.211,121 5.307,122 3.731,123 12.587,124 4.115,125 4,126 5.171,127 7.235,128 15.199,129 20.982,130 13,131 0.67,132 5.047,133 3.87,134 0.667,135 20.862,136 1.553,137 4.057,138 109.514,139 6.578}
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{0 CHEMBL633,2 4,5 142.67,7 1.868,8 1.133,9 1,11 1,12 1,13 1,14 0.133,17 0.454,18 2,21 3.124,22 0.294,23 0.667,24 1,26 0.516,27 0.597,29 0.485,30 5.673,31 3.673,32 3.673,33 1,34 1.682,35 2.398,36 4.844,37 7.05,38 1.267,39 0.015,41 0.591,42 15,43 4.301,44 4.301,45 18978,46 1,47 1.73,48 19.091,49 0.093,50 15,52 7,53 1.842,54 4,56 0.767,57 270.735,58 2.087,59 10.292,60 1.936,61 16.212,62 12.172,63 5.608,64 11.265,65 12.691,66 1,67 0.722,68 0.789,69 5.069,70 2.013,71 18.329,72 5.099,73 1.034,74 4.248,75 1.113,76 454.926,77 6.088,78 0.762,79 0.762,80 0.72,83 4.004,84 5.069,85 6.374,86 2.874,87 0.821,88 0.079,89 37.715,90 1.078,91 7.774,92 9.156,93 3.527,94 5.162,95 2.333,96 0.313,97 341.362,98 4.949,99 2.034,100 10.364,101 7.545,102 17.56,103 17.618,104 18.513,105 1.993,106 1.72,107 13.522,108 341.362,109 7.846,110 20.889,111 341.362,112 341.362,113 341.362,114 4.951,115 3.124,116 29,118 1.958,119 5.168,120 4.409,121 5.269,122 4.217,123 5.041,124 4.063,125 3,126 5.053,127 7.44,128 22.46,129 20.853,130 14,131 1.571,132 4.978,133 4.879,134 0.869,135 18.478,136 1.289,137 9.517,138 134.772,139 6.719}
{0 CHEMBL643,2 6,7 1.895,8 1.286,11 1,12 1,13 2,14 0.286,15 2,17 0.439,21 6.249,22 0.238,23 0.333,26 0.65,27 0.625,29 0.545,30 6.606,31 4.606,32 4.606,34 1.609,38 0.823,41 0.901,42 11,43 4.166,44 4.166,45 7668,47 1.682,48 14.402,49 0.224,50 8,52 1,53 1.935,54 1,55 1,56 0.983,57 200.109,58 0.95,59 10.02,60 1.869,61 22.31,62 11.824,63 5.39,64 10.918,65 12.343,67 0.706,68 1.051,69 4.215,70 2.066,71 13.76,72 4.741,73 -0.426,74 3.578,75 1.275,76 267.642,78 -2.123,79 -2.123,80 -0.707,83 3.707,84 4.215,85 1.002,86 2.327,87 0.278,88 0.079,89 26.089,90 0.731,91 6.997,92 8.786,93 3.059,94 4.735,95 4.721,96 -1.056,97 235.422,98 4.654,99 1.301,100 10.014,101 6.867,102 11.809,103 15.991,104 2.106,105 2.077,106 5.9,107 8.876,108 235.422,109 7.279,110 18.33,111 235.422,112 235.422,113 235.422,114 4.532,115 6.249,116 20,118 1.893,119 4.934,120 3.919,121 4.97,122 3.594,123 9.574,124 3.965,125 3,126 4.857,127 6.955,128 10.897,129 14.569,130 17,131 0.218,132 4.686,133 3.624,134 0.469,135 12.766,136 1.276,137 3.835,138 144.368,139 6.38}
{0 CHEMBL6437,2 11,7 1.88,8 1.316,11 1,12 1,13 3,14 0.316,17 0.427,21 6.249,22 0.241,23 0.25,26 0.625,27 0.65,29 0.522,30 5.57,31 3.57,32 3.57,34 1.584,36 2.708,37 5.46,38 0.796,41 0.88,42 7,43 4.229,44 4.229,45 16399,47 1.65,48 16.764,49 0.147,50 9,52 4,53 2.143,54 3,55 1,56 0.992,57 235.422,58 0.8,59 10.086,60 1.84,61 31.036,62 11.991,63 5.482,64 11.074,65 12.502,67 0.676,68 1.049,69 5.003,70 2.065,71 11.786,72 4.325,73 -0.225,74 3.195,75 1.275,76 235.422,78 -2.113,79 -2.113,80 -0.755,83 3.747,84 4.884,85 4.438,86 2.476,87 0.286,88 0.067,89 19.567,90 0.78,91 7.307,92 8.856,93 3.056,94 4.89,95 5.063,96 -0.826,97 235.422,98 5.056,99 1.468,100 10.16,101 7.441,102 13.648,103 19.398,104 8.852,105 2.226,106 1.605,107 9.306,108 235.422,109 7.577,110 17.46,111 235.422,112 235.422,113 235.422,114 4.68,115 6.249,116 20,118 2.023,119 5.091,120 3.889,121 5.136,122 3.606,123 9.292,124 3.999,125 4,126 4.774,127 7.014,128 11.791,129 17.138,130 18,131 0.529,132 4.843,133 3.754,134 0.62,135 14.985,136 1.35,137 2.867,138 105.371,139 7.68}
{0 CHEMBL647,2 2,7 1.864,8 1,16 1,17 0.448,21 85.704,22 0.226,23 1,25 1,26 0.567,27 0.683,29 0.375,30 5.415,31 3.415,32 3.415,33 1,34 1.237,35 2.398,36 4.443,37 6.26,38 0.692,39 0.684,40 4.182,41 1.04,43 3.949,44 3.949,45 1525,47 1.319,48 4.748,49 0.068,52 2,53 1.837,54 2,56 0.93,57 70.627,58 0.987,59 9.474,60 1.588,61 17.267,62 11.156,63 5.294,64 10.29,65 11.706,67 0.722,68 1.126,69 4.084,70 1.972,71 4.278,72 3.328,73 -1.139,74 2.368,75 1.25,76 70.627,78 -4.493,79 -4.493,80 -1.427,83 3.525,84 4.084,85 1.582,86 1,88 0.071,89 16.984,90 0.119,91 4.961,92 8.332,93 2.815,94 4.236,96 -1.664,97 70.627,98 3.045,99 -0.445,100 9.443,101 5.649,102 5.072,103 13.973,104 4.211,105 1.993,106 2.232,107 4.204,108 70.627,109 6.633,110 7.141,111 70.627,112 70.627,113 70.627,114 4.026,115 85.704,116 10,118 1.682,119 4.073,120 2.904,121 3.895,122 2.653,123 3.302,124 3.869,125 2,126 3.723,127 5.094,128 3.458,129 4.299,130 6,131 -0.479,132 3.87,133 3,135 2.974,136 1.058,137 3.233,138 115.875,139 8.538}
{0 CHEMBL648,2 3,7 1.848,8 1,11 2,12 2,17 0.447,21 6.249,22 0.24,23 1,26 0.6,27 0.625,29 0.545,30 5.552,31 3.552,32 3.552,34 1.666,38 0.758,41 0.834,42 8,43 4.109,44 4.109,45 3534,47 1.74,48 15.477,49 0.146,50 10,52 4,53 2.069,54 4,55 1,56 1.024,57 258.964,58 0.98,59 9.796,60 1.926,61 21.366,62 11.541,63 5.32,64 10.665,65 12.081,67 0.689,68 1.058,69 3.898,70 2.089,71 15.119,72 4.654,73 -0.529,74 3.558,75 1.225,76 258.964,78 -2.347,79 -2.347,80 -0.808,83 3.753,84 3.898,85 4.558,86 2.5,87 0.218,88 0.061,89 25.642,90 0.825,91 6.168,92 8.558,93 3.095,94 4.871,95 5.008,96 -1,97 258.964,98 4.043,99 1.5,100 9.794,101 6.335,102 13.333,103 15.282,104 8.423,105 2.138,106 1.967,107 9.484,108 258.964,109 7.249,110 17.995,111 258.964,112 258.964,113 258.964,114 4.634,115 6.249,116 22,118 1.944,119 5.041,120 4.022,121 5.012,122 3.247,123 9.979,124 3.941,125 3,126 5.057,127 6.104,128 10.288,129 15.085,130 22,131 0.5,132 4.763,133 3.414,134 0.528,135 15.794,136 1.35,137 4.145,138 117.953,139 5.809}
{0 CHEMBL64894,1 8.782,2 3,3 4,4 4,7 1.977,8 1,17 0.445,21 8.148,22 0.202,23 1,26 0.679,27 0.616,28 4,29 0.4,30 5.209,31 3.209,32 3.209,34 1.797,38 0.827,39 3.677,41 0.671,42 12,43 4.153,44 4.153,45 8592,46 7,47 1.838,48 20.945,49 0.465,50 24,53 1.826,56 1.046,57 355.032,58 1.561,59 10.192,60 1.972,61 25.77,62 11.944,63 5.309,64 11.061,65 12.479,67 0.724,68 1.161,69 3.883,70 2.097,71 14.547,72 4.925,73 1,74 3.912,75 1.295,76 353.133,78 -1.089,79 -1.089,80 -0.295,81 2,82 2,83 3.779,84 3.883,86 2.7,87 0.469,88 0.095,89 24.916,90 0.855,91 7.859,92 9.061,93 3.376,94 4.981,95 4.252,96 -0.367,97 353.133,98 4.796,99 1.562,100 10.183,101 7.043,102 16.326,103 18.013,104 1.899,105 1.993,106 1.744,107 12.227,108 353.133,109 7.787,110 23.366,111 353.133,112 353.133,113 353.133,114 4.796,115 8.148,116 30,118 1.989,119 5.276,120 4.202,121 5.316,122 3.767,123 13.477,124 4.008,125 3,126 4.947,127 7.587,128 15.452,129 22.038,130 30,131 1.108,132 5.029,133 4,134 0.739,135 19.564,136 1.257,137 6.203,138 185.106,139 6.484}
{0 CHEMBL654,2 11,7 1.88,8 1.316,10 1,11 1,12 1,13 3,14 0.316,17 0.427,21 23.034,22 0.238,23 0.25,26 0.625,27 0.675,29 0.522,30 5.57,31 3.57,32 3.57,34 1.575,36 2.708,37 5.46,38 0.78,41 0.88,42 3,43 4.224,44 4.224,45 16399,47 1.639,48 15.191,49 0.186,50 5,52 4,53 2.143,54 3,55 1,56 0.929,57 223.651,58 0.8,59 10.086,60 1.828,61 31.036,62 11.991,63 5.482,64 11.074,65 12.502,67 0.676,68 1.125,69 4.958,70 2.062,71 10.736,72 4.224,73 -0.225,74 3.143,75 1.3,76 211.88,78 -2.113,79 -2.113,80 -0.755,83 3.693,84 4.907,85 4.233,86 2.476,87 0.275,88 0.067,89 19.216,90 0.774,91 7.307,92 8.856,93 3.038,94 4.86,95 4.924,96 -0.826,97 223.651,98 5.056,99 1.468,100 10.16,101 7.441,102 12.692,103 19.398,104 8.852,105 2.226,106 1.605,107 8.674,108 223.651,109 7.54,110 16.989,111 223.651,112 223.651,113 223.651,114 4.651,115 23.034,116 19,118 2.015,119 5.072,120 3.826,121 5.068,122 3.606,123 8.871,124 3.981,125 4,126 4.732,127 7.014,128 10.357,129 15.263,130 16,131 0.529,132 4.818,133 3.754,134 0.572,135 13.722,136 1.347,137 2.831,138 95.038,139 7.385}
{0 CHEMBL679,2 1,7 1.779,8 1,17 0.473,21 18.011,22 0.225,23 1,26 0.538,27 0.596,29 0.462,30 5.22,31 3.22,32 3.22,34 1.063,38 0.612,41 1.383,43 3.885,44 3.885,45 612,47 1.14,48 6.07,49 0.105,52 1,53 1.66,54 1,55 1,56 1.119,57 105.94,58 0.959,59 9.179,60 1.438,61 13.626,62 10.721,63 5.04,64 9.886,65 11.291,67 0.757,68 1.162,69 4.441,70 2.011,71 2.875,72 3.205,73 -1.614,74 2.019,75 1.135,76 105.94,83 3.334,84 4.364,85 0.407,86 0.412,88 0.118,89 7.725,90 0.174,92 8.081,93 2.748,94 4.25,97 105.94,98 1.386,99 -0.831,100 9.053,101 5.03,102 6.151,103 11.516,104 2.106,105 1.831,106 1.529,107 4.812,108 105.94,109 6.7,110 9.753,111 105.94,112 105.94,113 105.94,114 4.062,115 18.011,116 13,118 1.771,119 4.334,120 2.552,121 4.211,122 1.708,123 6.054,124 3.86,125 1,126 3.702,127 3.056,128 3.286,129 5.146,130 9,132 4.102,133 2.251,135 3.825,136 1.182,137 3.39,138 42.116,139 6.346}
{0 CHEMBL68131,2 4,7 1.685,8 1.125,10 3,11 1,12 1,13 1,14 0.125,15 1,17 0.45,18 3,21 36.022,22 0.304,23 0.667,26 0.346,27 0.654,29 0.214,30 5.731,31 3.731,32 3.731,34 1.59,38 1.044,39 -0.443,41 0.549,42 5,43 4.185,44 4.185,45 12352,46 1,47 1.658,48 16.163,49 -0.008,50 6,52 10,53 1.902,54 6,55 1,56 0.815,57 211.88,58 1.902,59 10.13,60 1.875,61 23.359,62 11.861,63 5.588,64 10.978,65 12.396,66 2,67 0.712,68 1.093,69 4.997,70 2.055,71 13.047,72 4.828,73 1.043,74 3.635,75 1,76 294.278,77 16.653,78 -0.794,79 -0.794,80 0.118,83 3.742,84 4.921,85 9.031,86 2.427,87 0.639,88 0.082,89 33.356,90 0.917,91 5.72,92 8.925,93 3.277,94 5.165,95 2.489,96 0.079,97 294.278,98 4.489,99 1.425,100 10.097,101 7.155,102 15.829,103 21.763,104 30.232,105 2.037,106 3.349,107 11.819,108 294.278,109 7.465,110 25.091,111 294.278,112 294.278,113 294.278,114 4.943,115 36.022,116 27,118 2.019,119 5.231,120 3.875,121 5.153,122 3.655,123 12.153,124 3.9,125 3,126 5.016,127 5.782,128 10.375,129 14.695,130 13,131 0.827,132 4.999,133 3.726,134 0.825,135 13.686,136 1.459,137 7.034,138 114.804,139 6}
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{0 CHEMBL71479,2 2,7 1.943,8 1,16 1,17 0.446,19 1,20 6.046,21 52.807,22 0.228,23 1,25 1,26 0.611,27 0.639,29 0.316,30 7.19,31 5.19,32 5.19,33 1,34 1.428,35 2.398,36 4.443,37 6.26,38 0.731,39 0.871,40 4.259,41 0.923,43 4.258,44 4.258,45 2387,47 1.499,48 8.756,49 0.003,52 3,53 1.785,54 3,56 0.585,57 176.567,58 1,59 9.701,60 1.725,61 19.014,62 11.38,63 5.768,64 10.497,65 11.922,67 0.732,68 0.933,69 4.629,70 2.055,71 7.169,72 4.346,73 -0.473,74 3.159,75 1.25,76 176.567,78 -3.203,79 -3.203,80 -1,83 3.652,84 4.629,85 2.152,86 1.637,87 0.15,88 0.082,89 18.251,90 0.866,91 5.31,92 8.693,93 3.067,94 4.597,96 -1.056,97 176.567,98 3.497,99 0.582,100 9.654,101 5.961,102 8.474,103 15.719,104 6.317,105 1.95,106 5.9,107 7.427,108 176.567,109 7.134,110 17.884,111 176.567,112 176.567,113 176.567,114 4.388,115 52.807,116 17,118 1.749,119 4.559,120 3.399,121 4.649,122 3,123 10.261,124 4.004,125 2,126 4.453,127 5.324,128 6.518,129 8.634,130 12,131 -0.074,132 4.348,133 3.076,134 0.247,135 8.022,136 1.254,137 3.808,138 66.628,139 5.205}
{0 CHEMBL715,2 7,7 1.896,8 1.2,10 1,11 2,12 2,13 2,14 0.2,15 1,16 1,17 0.428,21 41.045,22 0.251,23 0.5,25 1,26 0.568,27 0.682,29 0.44,30 5.467,31 3.467,32 3.467,33 1,34 1.542,35 2.398,36 4.844,37 7.018,38 0.879,39 1.116,40 5.011,41 0.745,42 4,43 4.146,44 4.146,45 15168,46 1,47 1.583,48 13.443,49 0.129,50 6,52 4,53 2.063,54 4,56 1.01,57 223.651,58 1.05,59 10.062,60 1.729,61 40.827,62 11.991,63 5.541,64 11.082,65 12.508,67 0.687,68 1.207,69 4.69,70 2.03,71 12.794,72 4.796,73 0.044,74 3.619,75 1.25,76 254.929,78 -1.777,79 -1.777,80 -0.376,83 3.769,84 4.69,85 4.247,86 2.61,87 0.299,88 0.068,89 27.212,90 0.825,91 7.556,92 8.903,93 3.111,94 4.856,95 4.8,96 -0.6,97 223.651,98 5.094,99 1.635,100 10.179,101 7.391,102 12.094,103 24.673,104 8.423,105 2.176,106 1.954,107 8.933,108 223.651,109 7.41,110 19.721,111 223.651,112 223.651,113 223.651,114 4.65,115 41.045,116 20,118 1.964,119 4.995,120 3.993,121 4.888,122 3.775,123 9.688,124 3.968,125 4,126 4.844,127 7.346,128 9.274,129 12.47,130 16,131 0.545,132 4.74,133 4.185,134 0.622,135 12.508,136 1.289,137 3.664,138 117.618,139 6.693}
{0 CHEMBL716,2 7,7 1.781,8 1.19,10 1,11 2,12 2,13 2,14 0.19,16 1,17 0.445,21 23.034,22 0.258,23 0.5,25 1,26 0.537,27 0.657,29 0.4,30 6.592,31 4.592,32 4.592,34 1.689,36 2.708,37 5.38,38 0.89,39 1.083,40 5.066,41 0.531,42 7,43 4.115,44 4.115,45 27756,46 1,47 1.755,48 16.251,49 0.133,50 7,52 8,53 2.104,54 8,56 0.936,57 282.506,58 1.877,59 10.127,60 1.936,61 25.294,62 11.973,63 5.501,64 11.08,65 12.5,67 0.684,68 0.92,69 5.162,70 2.049,71 18.005,72 5.116,73 1.067,74 3.902,75 1.194,76 314.726,77 5.399,78 0.186,79 0.186,80 0.71,83 3.739,84 5.124,85 6.012,86 2.739,87 0.42,88 0.061,89 35.444,90 1.003,91 7.688,92 8.909,93 3.355,94 5.1,95 4.826,96 0.55,97 282.506,98 5.187,99 1.834,100 10.189,101 7.808,102 15.384,103 20.491,104 19.713,105 2.165,106 5.9,107 10.853,108 282.506,109 7.402,110 23.86,111 282.506,112 282.506,113 282.506,114 4.884,115 23.034,116 25,118 1.938,119 5.115,120 4.213,121 5.202,122 3.713,123 11.942,124 3.961,125 4,126 5.178,127 7.37,128 12.315,129 16.658,130 24,131 1.275,132 4.885,133 3.861,134 0.825,135 17.053,136 1.318,137 6.222,138 139.115,139 5.604}
{0 CHEMBL72147,2 4,7 1.983,8 1.133,13 1,14 0.133,15 1,16 1,17 0.437,21 132.332,22 0.228,23 0.667,25 1,26 0.667,27 0.694,29 0.55,30 5.363,31 3.363,32 3.363,33 1,34 1.361,35 2.398,36 4.443,37 6.26,38 0.752,39 0.801,40 4.304,41 0.774,42 1,43 4.065,44 4.065,45 4791,47 1.445,48 5.811,49 0.009,50 1,52 2,53 2,54 2,56 0.961,57 117.711,58 1.444,59 9.821,60 1.704,61 15.199,62 11.566,63 5.469,64 10.682,65 12.101,67 0.696,68 1.03,69 4.615,70 2.105,71 6.101,72 3.633,73 -0.682,74 2.799,75 1.361,76 105.94,78 -3.433,79 -3.433,80 -1.053,83 3.547,84 4.615,85 1.694,86 1.795,88 0.071,89 39.556,90 0.451,91 6.942,92 8.612,93 2.891,94 4.419,96 -1.217,97 117.711,98 4.263,99 0.668,100 9.805,101 6.488,102 5.67,103 13.339,104 4.211,105 2.12,106 2.232,107 5.147,108 117.711,109 7.049,110 8.822,111 117.711,112 117.711,113 117.711,114 4.201,115 86.378,116 12,118 1.736,119 4.269,120 3.265,121 4.13,122 3,123 3.185,124 3.98,125 3,126 4.062,127 7.13,128 4.535,129 5.454,130 6,131 -0.062,132 4.058,133 3.424,134 0.137,135 5.536,136 1.159,137 3.08,138 101.747,139 6.07}
{0 CHEMBL723,2 7,5 217.373,7 1.94,8 1.211,9 2,13 2,14 0.211,17 0.447,18 3,21 34.796,22 0.223,23 0.5,26 0.65,27 0.642,29 0.636,30 5.341,31 3.341,32 3.341,33 1,34 1.829,35 2.398,36 4.844,37 7.066,38 0.784,41 0.374,42 3,43 4.255,44 4.255,45 31433,47 1.863,48 14.38,49 -0.028,50 6,52 4,53 2.045,54 4,55 1,56 0.964,57 270.735,58 2.067,59 10.227,60 1.984,61 20.371,62 12.045,63 5.711,64 11.153,65 12.575,67 0.692,68 0.956,69 5.544,70 2.045,71 14.421,72 4.932,73 1.143,74 3.732,75 1.292,76 270.735,77 16.924,78 0.846,79 0.846,80 0.939,83 3.816,84 5.437,85 1.702,86 2.917,87 0.491,88 0.066,89 30.27,90 1.04,91 7.921,92 9.021,93 3.498,94 5.074,96 0.416,97 270.735,98 4.727,99 2.108,100 10.267,101 7.778,102 13.981,103 17.252,104 13.396,105 2.128,106 1.72,107 10.853,108 270.735,109 7.69,110 22.304,111 270.735,112 270.735,113 270.735,114 4.882,115 34.796,116 26,118 1.998,119 5.092,120 3.99,121 5.09,122 3.752,123 12.044,124 4.148,125 4,126 5.094,127 7.658,128 11.082,129 14.577,130 23,131 1.685,132 4.886,133 4.414,134 0.574,135 15.26,136 1.226,137 6.867,138 153.682,139 6.975}
{0 CHEMBL72441,2 2,7 1.779,8 1,16 1,17 0.458,21 52.807,22 0.269,23 1,25 1,26 0.531,27 0.625,29 0.353,30 6.357,31 4.357,32 4.357,33 1,34 1.357,35 2.398,36 4.443,37 6.26,38 0.771,39 1.063,40 4.365,41 0.877,43 3.848,44 3.848,45 1831,47 1.442,48 8.5,49 0.036,50 1,52 3,53 1.92,54 3,56 1.089,57 176.567,58 1.016,59 9.368,60 1.704,61 17.885,62 11.001,63 5.18,64 10.164,65 11.57,67 0.711,68 0.939,69 4.574,70 1.999,71 6.871,72 4.24,73 -0.893,74 3.009,75 1.156,76 208.786,78 -4.372,79 -4.372,80 -1.26,83 3.584,84 4.574,85 2.664,86 1.535,87 0.15,88 0.071,89 14.458,90 0.703,91 5.037,92 8.211,93 3.034,94 4.449,96 -1.441,97 176.567,98 3.296,99 0.466,100 9.333,101 5.74,102 8.145,103 14.896,104 6.317,105 2.03,106 5.9,107 7.31,108 176.567,109 6.732,110 16.821,111 176.567,112 176.567,113 176.567,114 4.215,115 52.807,116 17,118 1.734,119 4.438,120 3.312,121 4.509,122 2.764,123 8.255,124 3.879,125 2,126 4.261,127 5.055,128 6.035,129 8.241,130 12,131 -0.5,132 4.197,133 3,134 0.247,135 7.686,136 1.164,137 3.992,138 92.802,139 7.4}
{0 CHEMBL726,2 7,7 1.765,8 1.2,11 2,12 2,13 2,14 0.2,15 2,17 0.438,21 9.373,22 0.267,23 0.5,26 0.433,27 0.658,29 0.364,30 6.608,31 4.608,32 4.608,34 1.733,38 1.002,41 0.507,42 8,43 4.248,44 4.248,45 33650,47 1.787,48 19.327,49 0.256,50 11,52 9,53 1.946,54 8,56 0.631,57 270.735,58 1.671,59 10.405,60 1.881,61 38.127,62 12.184,63 5.568,64 11.278,65 12.705,66 1,67 0.705,68 0.795,69 5.187,70 2.076,71 15.053,72 5.079,73 1.146,74 3.932,75 1.092,76 326.497,78 0.508,79 0.508,80 0.735,83 3.731,84 5.044,85 7.163,86 2.842,87 0.562,88 0.076,89 36.182,90 1.001,91 7.451,92 9.241,93 3.397,94 5.211,95 6.688,96 0.556,97 339.158,98 5.247,99 1.973,100 10.385,101 7.96,102 16.81,103 27.39,104 17.274,105 2.079,106 6.775,107 11.645,108 302.037,109 7.664,110 26.354,111 294.278,112 294.278,113 294.278,114 4.986,115 54.253,116 26,117 2,118 2.025,119 5.33,120 4.145,121 5.369,122 4.134,123 11.779,124 3.978,125 4,126 5.189,127 7.266,128 14.987,129 19.807,130 23,131 1.361,132 5.089,133 4.619,134 0.825,135 17.489,136 1.36,137 6.71,138 135.388,139 6.668}
{0 CHEMBL72724,2 2,7 1.778,8 1,16 1,17 0.45,21 52.807,22 0.256,23 1,25 1,26 0.447,27 0.645,29 0.3,30 6.464,31 4.464,32 4.464,33 1,34 1.356,35 2.398,36 4.443,37 6.26,38 0.805,39 0.782,40 4.191,41 0.873,43 4.195,44 4.195,45 2704,47 1.441,48 6.81,49 0.26,52 3,53 1.795,54 3,56 0.608,57 141.253,58 1.136,59 9.724,60 1.704,61 20.569,62 11.392,63 5.408,64 10.524,65 11.94,67 0.731,68 0.856,69 4.574,70 2.001,71 5.35,72 4.327,73 0.51,74 3.143,75 1.092,76 173.473,78 -3,79 -3,80 -0.582,83 3.584,84 4.574,85 1.916,86 1.754,87 0.124,88 0.087,89 15.613,90 0.659,91 5.393,92 8.725,93 3.034,94 4.473,96 -0.894,97 186.134,98 3.584,99 0.664,100 9.674,101 6.066,102 7.061,103 16.925,104 6.317,105 1.952,106 6.775,107 6.184,108 149.013,109 7.115,110 16.549,111 141.253,112 141.253,113 141.253,114 4.26,115 97.687,116 14,118 1.736,119 4.49,120 3.291,121 4.548,122 3,123 5.756,124 3.884,125 2,126 4.322,127 5.259,128 6.101,129 7.368,130 12,132 4.283,133 3.103,134 0.212,135 6.433,136 1.14,137 4.507,138 91.736,139 5}
{0 CHEMBL72753,2 4,7 1.994,8 1.133,13 1,14 0.133,15 1,16 1,17 0.439,21 86.378,22 0.205,23 0.667,25 1,26 0.706,27 0.721,29 0.579,30 5.373,31 3.373,32 3.373,33 1,34 1.359,35 2.398,36 4.443,37 6.26,38 0.6,39 0.746,40 4.252,41 0.803,43 4.054,44 4.054,45 4154,47 1.441,48 4.36,49 0.002,52 2,53 2.082,54 2,56 0.899,57 94.169,58 1.176,59 9.736,60 1.669,61 13.653,62 11.465,63 5.453,64 10.588,65 12.004,67 0.686,68 0.958,69 4.607,70 2.101,71 4.117,72 3.515,73 -0.754,74 2.613,75 1.426,76 70.627,78 -4.009,79 -4.009,80 -1.175,83 3.541,84 4.533,85 1.64,86 1.79,88 0.068,89 12.689,90 0.407,91 6.742,92 8.515,93 2.876,94 4.33,96 -1.257,97 94.169,98 4.111,99 0.668,100 9.714,101 6.363,102 4.953,103 10.877,104 4.211,105 2.163,106 2.232,107 3.982,108 94.169,109 6.968,110 7.897,111 94.169,112 94.169,113 94.169,114 4.109,115 86.378,116 10,118 1.704,119 4.092,120 3.005,121 4.029,122 3,123 3.744,124 3.967,125 3,126 3.852,127 6.991,128 3.435,129 4.411,130 6,131 -0.222,132 3.903,133 3.394,134 0.041,135 3.973,136 1.136,137 2.728,138 92.852,139 7.43}
{0 CHEMBL72768,2 2,7 1.779,8 1,16 1,17 0.458,21 52.807,22 0.258,23 1,25 1,26 0.531,27 0.641,29 0.353,30 6.358,31 4.358,32 4.358,33 1,34 1.356,35 2.398,36 4.443,37 6.26,38 0.72,39 0.941,40 4.271,41 0.877,43 3.839,44 3.839,45 1831,47 1.441,48 6.551,49 -0.086,52 3,53 1.92,54 3,56 0.708,57 156.213,58 1.016,59 9.368,60 1.704,61 16.446,62 11.001,63 5.18,64 10.164,65 11.57,67 0.711,68 0.915,69 4.548,70 1.98,71 4.856,72 3.885,73 -0.893,74 2.859,75 1.172,76 173.473,78 -4.372,79 -4.372,80 -1.204,83 3.582,84 4.548,85 2.349,86 1.535,87 0.011,88 0.071,89 12.884,90 0.642,91 5.037,92 8.211,93 3.034,94 4.391,96 -1.431,97 156.213,98 3.296,99 0.466,100 9.333,101 5.74,102 6.63,103 14.098,104 6.317,105 2.03,106 5.9,107 6.048,108 141.253,109 6.652,110 14.898,111 141.253,112 141.253,113 141.253,114 4.156,115 67.767,116 14,118 1.719,119 4.256,120 3.095,121 4.381,122 2.764,123 6.488,124 3.856,125 2,126 4.065,127 5.055,128 5.554,129 6.884,130 12,131 -0.5,132 4.041,133 3,134 0.157,135 5.857,136 1.1,137 3.937,138 89.912,139 7.67}
{0 CHEMBL728,2 7,7 1.802,8 1.2,11 2,12 2,13 2,14 0.2,15 2,17 0.436,21 9.373,22 0.266,23 0.5,26 0.52,27 0.66,29 0.429,30 6.606,31 4.606,32 4.606,34 1.722,38 0.942,41 0.558,42 8,43 4.165,44 4.165,45 20448,47 1.768,48 18.36,49 0.176,50 10,52 7,53 2.055,54 6,56 0.798,57 258.964,58 1.325,59 10.205,60 1.854,61 32.967,62 11.973,63 5.513,64 11.077,65 12.499,66 1,67 0.689,68 0.968,69 4.987,70 2.065,71 14.268,72 4.771,73 0.785,74 3.73,75 1.18,76 314.726,78 -0.717,79 -0.717,80 0.149,83 3.719,84 4.987,85 8.085,86 2.712,87 0.512,88 0.068,89 33.419,90 0.975,91 7.192,92 8.931,93 3.367,94 5.06,95 7.444,96 0.016,97 282.506,98 4.99,99 1.807,100 10.184,101 7.558,102 15.698,103 23.646,104 15.169,105 2.154,106 5.9,107 10.903,108 282.506,109 7.361,110 23.108,111 282.506,112 282.506,113 282.506,114 4.837,115 9.373,116 24,117 2,118 2.013,119 5.172,120 4.025,121 5.153,122 3.891,123 11.019,124 3.97,125 4,126 4.975,127 7.076,128 13.53,129 17.829,130 22,131 0.959,132 4.916,133 4.135,134 0.669,135 15.492,136 1.349,137 5.342,138 173.383,139 6.772}
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{0 CHEMBL75491,2 4,7 2.106,8 1.133,13 1,14 0.133,15 1,17 0.439,21 85.153,22 0.177,23 0.667,26 0.853,27 0.706,29 0.842,30 5.215,31 3.215,32 3.215,33 1,34 1.343,35 2.398,36 4.443,37 6.26,38 0.533,41 0.803,43 4.09,44 4.09,45 4154,47 1.409,48 5.18,49 0.016,53 2.082,56 1.045,57 105.94,58 1.176,59 9.736,60 1.618,61 16.71,62 11.465,63 5.332,64 10.588,65 12.004,67 0.686,68 1.12,69 4.638,70 2.124,71 4.622,72 3.524,73 -0.818,74 2.626,75 1.559,76 58.856,78 -4.009,79 -4.009,80 -1.305,83 3.636,84 4.566,86 2.118,88 0.068,89 9.12,90 0.519,91 7.153,92 8.515,93 3.023,94 4.264,96 -1.618,97 105.94,98 4.111,99 0.927,100 9.714,101 6.363,102 4.89,103 10.081,105 2.163,106 0.8,107 4.416,108 105.94,109 7.15,110 8.889,111 105.94,112 105.94,113 105.94,114 4.056,115 85.153,116 11,118 1.762,119 4.261,120 3.065,121 4.308,122 3,123 4.942,124 3.981,125 3,126 3.955,127 7.187,128 4.235,129 6.113,130 2,131 -0.118,132 4.044,133 3.394,135 5.031,136 1.199,137 2.406,138 76.097,139 7.509}
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{0 CHEMBL762,2 2,7 1.852,8 1,16 1,17 0.44,21 34.796,22 0.28,23 1,25 1,26 0.421,27 0.592,29 0.3,30 5.662,31 3.662,32 3.662,33 1,34 1.364,35 2.398,36 4.443,37 6.26,38 1.077,39 1.036,40 4.438,41 1.015,42 3,43 4.419,44 4.419,45 2561,47 1.446,48 15.702,49 0.23,50 10,52 3,53 1.689,54 2,56 1.012,57 258.964,58 1.28,59 9.95,60 1.704,61 19.526,62 11.705,63 5.558,64 10.803,65 12.229,67 0.748,68 1.248,69 4.292,70 2.074,71 13.488,72 4.649,73 -0.916,74 3.262,75 1.013,76 258.964,78 -3.349,79 -3.349,80 -1,83 3.602,84 4.292,85 2.578,86 1.607,87 0.469,88 0.096,89 24.491,90 0.75,91 5.388,92 8.935,93 3.107,94 4.793,96 -1.052,97 258.964,98 3.611,99 0.507,100 9.919,101 6.091,102 12.984,103 16.599,104 6.746,105 1.894,106 2.65,107 10.34,108 258.964,109 7.89,110 18.348,111 258.964,112 258.964,113 258.964,114 4.591,115 34.796,116 24,118 1.823,119 5.085,120 3.812,121 5.104,122 3.121,123 10.618,124 3.97,125 2,126 5.103,127 5.504,128 9.994,129 14.846,130 5,131 -0.162,132 4.827,133 3.377,134 0.469,135 13.586,136 1.347,137 3.796,138 75.418,139 7.714}
{0 CHEMBL76457,2 2,7 1.993,8 1,17 0.454,21 97.536,22 0.204,23 1,26 0.808,27 0.654,29 0.786,30 5.162,31 3.162,32 3.162,33 1,34 1.234,35 2.398,36 4.443,37 6.26,38 0.578,41 1.026,43 3.764,44 3.764,45 1097,47 1.304,48 3.941,49 0.085,53 2,56 1.032,57 70.627,58 0.84,59 9.141,60 1.525,61 15.406,62 10.761,63 4.971,64 9.931,65 11.334,67 0.7,68 1.063,69 4.392,70 1.973,71 2.685,72 2.574,73 -1.618,74 1.906,75 1.462,76 47.084,78 -6.102,79 -6.102,80 -2,83 3.618,84 4.392,86 0.774,88 0.062,89 13.598,90 0.186,91 5.481,92 7.975,93 2.776,94 3.958,97 70.627,98 2.708,99 -0.688,100 9.105,101 5.366,102 4.043,103 9.457,105 2.082,106 0.8,107 3.144,108 70.627,109 6.294,110 1.921,111 70.627,112 70.627,113 70.627,114 3.74,115 51.582,116 8,118 1.71,119 3.76,120 2.711,121 3.571,122 2,123 1.087,124 3.859,125 2,126 3.233,127 5.433,128 2.491,129 2.796,130 4,131 -0.77,132 3.546,133 2.672,135 2.675,136 1.072,137 2.544,138 109.665,139 6.678}
{0 CHEMBL778,2 2,7 1.974,8 1,17 0.45,21 33.571,22 0.232,23 1,26 0.667,27 0.6,29 0.688,30 5.42,31 3.42,32 3.42,33 1,34 1.277,35 2.398,36 4.443,37 6.293,38 0.739,41 1.116,43 4.11,44 4.11,45 1421,47 1.368,48 9.799,49 0.207,50 2,53 1.837,55 1,56 1.008,57 176.567,58 0.853,59 9.532,60 1.656,61 13.288,62 11.232,63 5.193,64 10.366,65 11.778,67 0.722,68 1.093,69 4.494,70 2.046,71 5.103,72 3.538,73 -1.279,74 2.449,75 1.267,76 153.024,78 -4.39,79 -4.39,80 -1.618,83 3.661,84 4.494,86 1.275,87 0.067,88 0.101,89 10.354,90 0.569,91 5.614,92 8.435,93 3.018,94 4.367,96 -1.769,97 176.567,98 2.944,99 0.057,100 9.501,101 5.613,102 8.559,103 9.849,105 1.993,106 1.36,107 7.061,108 176.567,109 7.244,110 12.222,111 176.567,112 176.567,113 176.567,114 4.159,115 33.571,116 16,118 1.747,119 4.536,120 3.195,121 4.753,122 2.407,123 7.153,124 3.945,125 2,126 4.153,127 5.614,128 7.312,129 10.939,130 3,131 -0.426,132 4.311,133 3,134 0.299,135 8.225,136 1.295,137 2.696,138 84.884,139 8.824}
{0 CHEMBL77913,2 2,7 1.936,8 1,17 0.456,18 1,21 51.582,22 0.191,23 1,26 0.733,27 0.667,29 0.688,30 5.095,31 3.095,32 3.095,33 1,34 1.252,35 2.398,36 4.443,37 6.26,38 0.561,41 0.925,43 3.87,44 3.87,45 1549,47 1.316,48 6.134,49 0.19,53 1.915,56 1.022,57 129.482,58 1.271,59 9.347,60 1.572,61 22.669,62 11.004,63 5.04,64 10.16,65 11.567,67 0.712,68 1.245,69 4.468,70 2.02,71 5.097,72 3.48,73 -1.288,74 2.445,75 1.4,76 105.94,77 5.134,78 -4.379,79 -4.379,80 -1.618,83 3.619,84 4.468,86 1.287,88 0.063,89 10.202,90 0.549,91 5.87,92 8.192,93 2.921,94 4.175,96 -1.817,97 129.482,98 3.135,99 0.101,100 9.321,101 5.645,102 5.357,103 14.394,105 2.032,106 1.72,107 5.049,108 129.482,109 6.751,110 10.723,111 129.482,112 129.482,113 129.482,114 3.977,115 51.582,116 13,118 1.722,119 4.258,120 2.983,121 4.317,122 2.632,123 6.01,124 3.877,125 2,126 4.041,127 5.719,128 4.327,129 6.551,130 6,131 -0.5,132 4.027,133 2.947,134 0.113,135 4.908,136 1.139,137 2.922,138 79.317,139 8}
{0 CHEMBL77921,2 2,7 1.974,8 1,17 0.45,21 33.571,22 0.232,23 1,26 0.667,27 0.6,29 0.688,30 5.42,31 3.42,32 3.42,33 1,34 1.277,35 2.398,36 4.443,37 6.293,38 0.739,41 1.116,43 4.11,44 4.11,45 1421,47 1.368,48 9.799,49 0.207,50 2,53 1.837,55 1,56 1.008,57 176.567,58 0.853,59 9.532,60 1.656,61 13.288,62 11.232,63 5.193,64 10.366,65 11.778,67 0.722,68 1.093,69 4.494,70 2.046,71 5.103,72 3.538,73 -1.279,74 2.449,75 1.267,76 153.024,78 -4.39,79 -4.39,80 -1.618,83 3.661,84 4.494,86 1.275,87 0.067,88 0.101,89 10.354,90 0.569,91 5.614,92 8.435,93 3.018,94 4.367,96 -1.769,97 176.567,98 2.944,99 0.057,100 9.501,101 5.613,102 8.559,103 9.849,105 1.993,106 1.36,107 7.061,108 176.567,109 7.244,110 12.222,111 176.567,112 176.567,113 176.567,114 4.159,115 33.571,116 16,118 1.747,119 4.536,120 3.195,121 4.753,122 2.407,123 7.153,124 3.945,125 2,126 4.153,127 5.614,128 7.312,129 10.939,130 3,131 -0.426,132 4.311,133 3,134 0.299,135 8.225,136 1.295,137 2.696,138 84.884,139 5.469}
{0 CHEMBL78190,2 2,7 1.91,8 1,17 0.446,18 1,21 51.582,22 0.238,23 1,26 0.579,27 0.632,29 0.55,30 5.633,31 3.633,32 3.633,33 1,34 1.362,35 2.398,36 4.443,37 6.26,38 0.891,41 0.992,42 3,43 4.389,44 4.389,45 2593,47 1.436,48 13.265,49 0.29,50 4,53 1.74,56 1,57 223.651,58 1.163,59 9.85,60 1.686,61 29.387,62 11.594,63 5.374,64 10.7,65 12.125,67 0.739,68 1.405,69 4.252,70 2.062,71 12.736,72 4.691,73 -0.857,74 3.309,75 1.211,76 200.109,77 5.492,78 -3.076,79 -3.076,80 -1,83 3.635,84 4.252,86 1.872,87 0.469,88 0.084,89 24.462,90 0.597,91 6.263,92 8.83,93 3.025,94 4.632,96 -1.22,97 223.651,98 3.738,99 0.795,100 9.83,101 6.089,102 10.456,103 18.972,105 1.923,106 1.72,107 8.623,108 223.651,109 7.737,110 16.678,111 223.651,112 223.651,113 223.651,114 4.443,115 51.582,116 21,118 1.813,119 4.97,120 3.74,121 4.906,122 3,123 9.554,124 3.936,125 2,126 5.004,127 6.14,128 8.069,129 12.005,130 5,132 4.701,133 3.323,134 0.469,135 11.609,136 1.302,137 3.855,138 99.502,139 7.409}
{0 CHEMBL787,1 4.105,2 6,3 2,4 2,7 1.924,8 1.08,13 1,14 0.08,15 1,17 0.436,21 16.786,22 0.268,23 0.8,26 0.61,27 0.585,28 2,29 0.511,30 6.507,31 4.507,32 4.507,34 1.901,35 3.932,36 5.861,37 7.753,38 1.16,39 -0.713,41 0.384,42 36,43 4.461,44 4.461,45 55040,46 2,47 1.923,48 29.026,49 -0.07,50 34,52 6,53 1.922,54 1,55 1,56 0.753,57 306.049,58 2.157,59 10.675,60 2.005,61 18.252,62 12.406,63 5.514,64 11.515,65 12.938,67 0.708,68 1.093,69 5.806,70 2.117,71 28.31,72 5.604,73 1.623,74 4.528,75 1.195,76 432.437,78 2.596,79 2.596,80 1.238,83 3.955,84 5.78,85 4.747,86 3.44,87 0.825,88 0.081,89 54.707,90 1.154,91 7.996,92 9.583,93 3.844,94 5.424,96 1.208,97 400.217,98 5.17,99 2.755,100 10.644,101 8.306,102 23.654,103 18.363,104 13.572,105 2.064,106 6.545,107 17.874,108 400.217,109 8.528,110 32.243,111 400.217,112 400.217,113 400.217,114 5.242,115 16.786,116 36,118 2.054,119 5.594,120 4.672,121 5.544,122 4.952,123 16.066,124 4.03,125 5,126 5.568,127 7.771,128 20.805,129 26.146,130 18,131 2.548,132 5.36,133 5.2,134 0.853,135 30.441,136 1.369,137 9.012,138 269.361,139 5.62}
{0 CHEMBL808,2 3,7 1.934,8 1,10 1,17 0.447,21 18.685,22 0.219,23 1,26 0.667,27 0.646,29 0.654,30 5.454,31 3.454,32 3.454,33 1,34 1.529,35 2.398,36 4.443,37 6.26,38 0.8,41 0.649,42 7,43 3.968,44 3.968,45 5383,47 1.587,48 10.55,49 0.132,50 3,52 2,53 1.946,54 2,55 1,56 0.68,57 176.567,58 1.253,59 9.88,60 1.787,61 15.622,62 11.572,63 5.22,64 10.714,65 12.126,67 0.706,68 1.095,69 4.978,70 2.02,71 10.919,72 4.607,73 0.535,74 3.793,75 1.313,76 141.253,77 6.129,78 -1.242,79 -1.242,80 0.256,83 3.845,84 4.907,85 1.06,86 2.5,87 0.218,88 0.07,89 25.301,90 0.598,91 6.624,92 8.718,93 3.222,94 4.656,96 -0.219,97 176.567,98 4.317,99 1.5,100 9.868,101 6.608,102 9.479,103 15.958,104 6.698,105 2.064,106 2.615,107 6.091,108 176.567,109 7.139,110 10.452,111 176.567,112 176.567,113 176.567,114 4.498,115 18.685,116 15,118 1.949,119 4.745,120 3.894,121 4.702,122 3.433,123 4.28,124 3.913,125 3,126 4.746,127 6.309,128 8.101,129 9.469,130 12,131 0.796,132 4.553,133 3.965,134 0.303,135 9.489,136 1.232,137 5.924,138 234.064,139 5.577}
{0 CHEMBL809,2 4,7 1.894,8 1.125,13 1,14 0.125,15 1,17 0.441,21 18.011,22 0.26,23 0.667,26 0.6,27 0.6,29 0.545,30 5.524,31 3.524,32 3.524,34 1.486,38 0.876,41 0.833,42 9,43 4.197,44 4.197,45 6542,47 1.545,48 13.357,49 0.076,50 13,52 2,53 1.935,55 2,56 0.612,57 164.795,58 1.13,59 10.028,60 1.745,61 23.193,62 11.796,63 5.407,64 10.898,65 12.319,67 0.706,68 1.011,69 4.973,70 2.113,71 9.675,72 4.011,73 -0.196,74 3.261,75 1.2,76 188.338,78 -2.3,79 -2.3,80 -0.797,83 3.802,84 4.919,85 2.263,86 2.326,87 0.164,88 0.093,89 25.738,90 0.749,91 6.821,92 8.805,93 3.152,94 4.76,96 -0.968,97 188.338,98 4.543,99 1.286,100 10.001,101 6.758,102 12.478,103 16.245,104 5.069,105 2.077,106 1.36,107 8.396,108 188.338,109 7.516,110 13.965,111 188.338,112 188.338,113 188.338,114 4.559,115 18.011,116 17,118 1.897,119 4.839,120 3.789,121 4.905,122 3.595,123 6.74,124 4.003,125 3,126 4.514,127 6.637,128 10.415,129 14.356,130 11,131 0.438,132 4.618,133 3.693,134 0.288,135 13.505,136 1.465,137 4.016,138 174.654,139 6.752}
{0 CHEMBL81,2 6,5 150.813,7 1.958,8 1.074,9 1,11 1,12 1,13 1,14 0.074,17 0.436,18 1,21 3.124,22 0.242,23 0.8,24 1,26 0.676,27 0.618,29 0.579,30 5.659,31 3.659,32 3.659,33 1,34 1.845,35 2.398,36 4.844,37 7.066,38 0.891,39 -0.083,41 0.401,42 22,43 4.31,44 4.31,45 51851,46 1,47 1.865,48 19.011,49 0.067,50 19,52 7,53 2.04,54 4,56 0.842,57 247.193,58 2.131,59 10.443,60 1.971,61 16.636,62 12.323,63 5.743,64 11.415,65 12.842,67 0.691,68 0.887,69 5.242,70 2.042,71 16.067,72 5.143,73 1.362,74 4.178,75 1.294,76 325.555,77 5.919,78 2.275,79 2.275,80 1,83 3.833,84 5.209,85 7.696,86 3.154,87 0.632,88 0.067,89 30.662,90 1.069,91 8.458,92 9.252,93 3.685,94 5.22,95 2.436,96 1,97 294.278,98 5.371,99 2.433,100 10.514,101 8.277,102 17.756,103 17.325,104 18.513,105 2.145,106 1.72,107 12.758,108 294.278,109 7.96,110 23.706,111 294.278,112 294.278,113 294.278,114 5.029,115 3.124,116 27,118 2.015,119 5.25,120 4.293,121 5.178,122 4.827,123 12.435,124 4.11,125 5,126 5.079,127 8.115,128 14.668,129 17.752,130 19,131 2.122,132 5.046,133 5.017,134 0.825,135 15.683,136 1.412,137 6.954,138 178.64,139 5.779}
{0 CHEMBL81485,2 11,7 1.865,8 1.333,13 3,14 0.333,15 1,17 0.432,21 23.749,22 0.25,23 0.25,26 0.595,27 0.643,29 0.5,30 6.439,31 4.439,32 4.439,33 1,34 1.559,35 2.398,36 4.844,37 7.066,38 0.81,41 0.814,42 8,43 4.257,44 4.257,45 17945,47 1.621,48 13.998,49 -0.012,50 12,52 3,53 2.136,54 1,55 2,56 0.724,57 200.109,58 1.02,59 10.072,60 1.855,61 27.232,62 12.068,63 5.432,64 11.143,65 12.574,67 0.678,68 1.019,69 5.095,70 2.029,71 11.259,72 4.52,73 0.034,74 3.35,75 1.238,76 223.651,77 6.24,78 -2.055,79 -2.055,80 -0.419,83 3.746,84 4.979,85 2.906,86 2.47,87 0.268,88 0.059,89 19.614,90 0.776,91 7.376,92 8.885,93 3.151,94 4.907,95 2.142,96 -0.724,97 223.651,98 5.198,99 1.462,100 10.222,101 7.53,102 12.897,103 19.485,104 7.175,105 2.215,106 4.661,107 9.315,108 223.651,109 7.638,110 17.514,111 223.651,112 223.651,113 223.651,114 4.699,115 23.749,116 20,117 2,118 1.973,119 4.996,120 3.848,121 5.032,122 3.606,123 9.409,124 3.997,125 4,126 4.738,127 7.091,128 10.603,129 14.664,130 15,131 0.603,132 4.771,133 3.716,134 0.57,135 13.756,136 1.323,137 3.264,138 103.695,139 6.36}
{0 CHEMBL822,1 4.092,2 3,3 2,4 2,7 1.927,8 1.2,11 1,12 1,13 1,14 0.2,15 1,17 0.455,21 3.124,22 0.25,23 0.5,26 0.591,27 0.557,28 2,29 0.478,30 5.633,31 3.633,32 3.633,34 1.581,38 0.869,41 0.631,42 6,43 4.098,44 4.098,45 4999,47 1.645,48 16.285,49 0.273,50 8,52 2,53 1.821,54 2,56 1.037,57 294.278,58 1.686,59 9.774,60 1.857,61 13.614,62 11.377,63 5.328,64 10.513,65 11.933,67 0.727,68 1.337,69 4.66,70 2.138,71 11.661,72 4.723,73 -0.499,74 3.435,75 1.148,76 294.278,78 -2.364,79 -2.364,80 -0.618,83 3.735,84 4.575,85 1.848,86 2.695,87 0.469,88 0.065,89 18.993,90 0.773,91 6.451,92 8.682,93 3.379,94 4.83,95 2.303,96 -0.963,97 294.278,98 3.871,99 1.32,100 9.685,101 6.436,102 14.267,103 12.171,104 4.211,105 1.959,106 1.754,107 10.856,108 294.278,109 7.665,110 18.476,111 294.278,112 294.278,113 294.278,114 4.622,115 3.124,116 25,118 1.925,119 5.106,120 3.76,121 4.737,122 3.346,123 10.848,124 4.05,125 2,126 4.733,127 6.761,128 8.465,129 12.218,130 16,131 0.291,132 4.797,133 3.589,134 0.51,135 13.027,136 1.334,137 5.414,138 166.762,139 5.457}
{0 CHEMBL83,2 3,7 1.917,8 1,11 1,12 1,17 0.456,18 1,21 3.124,22 0.224,23 1,26 0.714,27 0.58,29 0.6,30 5.265,31 3.265,32 3.265,34 1.797,38 0.822,39 2.641,41 0.636,42 31,43 4.198,44 4.198,45 7804,46 2,47 1.823,48 18.509,49 0.219,50 38,52 3,53 1.953,54 2,56 0.898,57 341.362,58 1.689,59 10.048,60 1.937,61 11.828,62 11.822,63 5.44,64 10.943,65 12.36,67 0.706,68 0.932,69 4.881,70 2.081,71 23.278,72 5.215,73 1,74 4.129,75 1.295,76 341.362,77 5.871,80 0.234,81 2,82 2,83 3.8,84 4.776,85 2.568,86 2.598,87 0.481,88 0.063,89 38.175,90 1.001,91 7.534,92 8.854,93 3.451,94 5.026,95 2.123,96 -0.156,97 341.362,98 4.615,99 1.604,100 10.071,101 6.921,102 16.408,103 12.196,104 9.233,105 2.055,106 1.72,107 12.572,108 341.362,109 7.655,110 22.402,111 341.362,112 341.362,113 341.362,114 4.818,115 3.124,116 29,118 1.952,119 5.138,120 4.449,121 5.212,122 3.495,123 12.886,124 4.004,125 3,126 5.406,127 7.348,128 14.435,129 19.973,130 24,131 1.194,132 4.908,133 3.805,134 0.697,135 23.059,136 1.291,137 7.189,138 188.689,139 5.713}
{0 CHEMBL833,2 4,5 60.648,7 1.906,8 1.133,9 1,11 1,12 1,13 1,14 0.133,17 0.438,21 3.124,22 0.263,23 0.667,26 0.588,27 0.618,29 0.579,30 5.296,31 3.296,32 3.296,33 1,34 1.4,35 2.398,36 4.595,37 6.581,38 0.798,41 0.737,42 8,43 3.907,44 3.907,45 4306,47 1.419,48 10.773,49 0.144,50 3,52 4,53 2.082,54 3,56 0.642,57 164.795,58 1.073,59 9.673,60 1.555,61 15.861,62 11.38,63 5.205,64 10.515,65 11.927,67 0.686,68 1.24,69 4.696,70 2.023,71 6.366,72 3.698,73 -0.577,74 2.994,75 1.206,76 184.302,78 -3.459,79 -3.459,80 -1.155,83 3.854,84 4.696,85 4.329,86 1.711,87 0.17,88 0.068,89 14.069,90 0.659,91 6.043,92 8.467,93 2.971,94 4.496,95 2.469,96 -1.488,97 164.795,98 3.989,99 0.59,100 9.654,101 6.37,102 9.577,103 12.851,104 8.852,105 2.163,106 1.754,107 6.767,108 164.795,109 6.969,110 13.274,111 164.795,112 164.795,113 164.795,114 4.303,115 3.124,116 14,118 1.883,119 4.618,120 3.388,121 4.403,122 3.083,123 5.849,124 3.933,125 3,126 4.032,127 5.734,128 6.44,129 8.58,130 11,131 -0.112,132 4.374,133 3.446,134 0.303,135 7.725,136 1.313,137 3.275,138 145.538,139 6.632}
{0 CHEMBL836,2 2,7 1.846,8 1,17 0.46,18 3,20 5.807,21 49.302,22 0.241,23 1,26 0.589,27 0.607,29 0.414,30 6.688,31 4.688,32 4.688,34 1.63,38 0.896,41 0.586,42 1,43 4.3,44 4.3,45 8404,47 1.667,48 15.296,49 0.029,50 3,52 4,53 1.778,54 3,55 1,56 0.747,57 200.109,58 1.903,59 10.054,60 1.887,61 26.437,62 11.696,63 5.784,64 10.832,65 12.248,66 2,67 0.735,68 0.95,69 5.231,70 2.055,71 14.697,72 5.041,73 0.804,74 3.711,75 1.196,76 294.278,77 16.4,78 -0.398,79 -0.398,80 0.219,83 3.818,84 5.195,85 2.347,86 2.665,87 0.561,88 0.08,89 33.809,90 0.935,91 5.254,92 8.991,93 3.4,94 5.05,96 0.071,97 294.278,98 3.871,99 1.719,100 9.987,101 6.809,102 13.771,103 23.409,104 13.825,105 1.928,106 1.72,107 11.405,108 294.278,109 7.561,110 26.271,111 294.278,112 294.278,113 294.278,114 4.855,115 49.302,116 28,118 1.991,119 5.092,120 4.013,121 5.205,122 3.664,123 15.731,124 3.986,125 2,126 5.083,127 5.478,128 12.88,129 16.892,130 17,131 1,132 4.897,133 4.122,134 0.591,135 16.381,136 1.298,137 8.573,138 134.966,139 7.537}
{0 CHEMBL83658,2 11,7 1.865,8 1.333,11 1,12 1,13 3,14 0.333,15 1,17 0.429,21 8.863,22 0.248,23 0.25,26 0.568,27 0.648,29 0.48,30 6.439,31 4.439,32 4.439,33 1,34 1.59,35 2.398,36 4.844,37 7.066,38 0.853,41 0.779,42 8,43 4.257,44 4.257,45 19987,47 1.657,48 16.367,49 0.112,50 12,52 3,53 2.063,54 1,55 2,56 0.69,57 235.422,58 1.066,59 10.109,60 1.894,61 28.069,62 12.101,63 5.432,64 11.175,65 12.607,66 1,67 0.687,68 1.137,69 4.925,70 2.029,71 12.426,72 4.652,73 0.063,74 3.503,75 1.216,76 258.964,77 6.331,78 -2,79 -2,80 -0.416,83 3.746,84 4.817,85 2.988,86 2.752,87 0.469,88 0.056,89 21.373,90 0.848,91 7.405,92 8.936,93 3.253,94 4.949,95 4.365,96 -0.6,97 258.964,98 5.263,99 1.86,100 10.257,101 7.617,102 13.9,103 19.677,104 7.175,105 2.176,106 4.661,107 10.015,108 258.964,109 7.668,110 19.35,111 258.964,112 258.964,113 258.964,114 4.752,115 8.863,116 22,117 2,118 1.973,119 5.151,120 3.934,121 5.104,122 3.716,123 10.303,124 3.997,125 4,126 4.829,127 7.114,128 11.316,129 15.644,130 18,131 0.603,132 4.901,133 4.133,134 0.605,135 15.065,136 1.327,137 3.493,138 112.091,139 6.43}
{0 CHEMBL84158,2 1,7 1.82,8 1,10 1,11 1,12 1,17 0.469,18 1,19 1,20 6.046,21 21.135,22 0.25,23 1,26 0.5,27 0.614,29 0.273,30 7.18,31 5.18,32 5.18,34 1.586,38 0.878,39 -0.338,41 1.08,43 4.217,44 4.217,45 2484,46 1,47 1.577,48 12.705,49 0.095,52 4,53 1.64,54 4,56 0.617,57 200.109,58 1.364,59 9.805,60 1.78,61 21.275,62 11.456,63 5.738,64 10.584,65 12.002,66 1,67 0.761,68 0.917,69 4.588,70 2.047,71 8.89,72 4.673,73 0.035,74 3.428,75 1.114,76 270.735,77 5.138,78 -3,79 -3,80 -0.418,83 3.648,84 4.588,85 3.068,86 1.714,87 0.319,88 0.104,89 25.518,90 0.869,91 4.832,92 8.828,93 3.222,94 4.855,95 2.185,96 -0.75,97 270.735,98 3.367,99 0.618,100 9.732,101 6.033,102 11.259,103 19.458,104 26.434,105 1.815,106 5.9,107 9.434,108 270.735,109 7.324,110 23.569,111 270.735,112 270.735,113 270.735,114 4.646,115 21.135,116 24,118 1.943,119 4.922,120 3.625,121 5.104,122 3.01,123 13.498,124 4,125 1,126 4.654,127 4.878,128 9.16,129 13.677,130 17,131 0.526,132 4.723,133 3.288,134 0.568,135 10.9,136 1.232,137 7.168,138 93.306,139 5.682}
{0 CHEMBL844,2 4,7 1.994,8 1.133,13 1,14 0.133,15 1,16 1,17 0.439,21 132.332,22 0.221,23 0.667,25 1,26 0.706,27 0.706,29 0.579,30 5.357,31 3.357,32 3.357,33 1,34 1.359,35 2.398,36 4.443,37 6.26,38 0.684,39 0.8,40 4.29,41 0.803,43 4.049,44 4.049,45 4154,47 1.441,48 4.644,49 0.035,52 2,53 2.082,54 2,56 0.985,57 94.169,58 1.176,59 9.736,60 1.669,61 13.728,62 11.465,63 5.453,64 10.588,65 12.004,67 0.686,68 0.962,69 4.607,70 2.097,71 4.457,72 3.515,73 -0.759,74 2.628,75 1.412,76 70.627,78 -4.009,79 -4.009,80 -1.18,83 3.541,84 4.533,85 1.695,86 1.79,88 0.068,89 25.226,90 0.407,91 6.742,92 8.515,93 2.89,94 4.323,96 -1.258,97 94.169,98 4.111,99 0.668,100 9.714,101 6.363,102 5.021,103 10.914,104 4.211,105 2.163,106 2.232,107 3.997,108 94.169,109 6.942,110 5.49,111 94.169,112 94.169,113 94.169,114 4.102,115 86.378,116 10,118 1.703,119 4.081,120 3.07,121 4.018,122 3,123 1.992,124 3.971,125 3,126 3.841,127 6.991,128 4.066,129 4.621,130 6,131 -0.222,132 3.891,133 3.394,134 0.047,135 4.212,136 1.146,137 2.849,138 99.212,139 8.387}
{0 CHEMBL84931,2 11,7 1.87,8 1.333,11 1,12 1,13 3,14 0.333,15 1,17 0.427,21 8.863,22 0.245,23 0.25,26 0.543,27 0.652,29 0.462,30 6.44,31 4.44,32 4.44,33 1,34 1.59,35 2.398,36 4.844,37 7.066,38 0.876,41 0.768,42 6,43 4.263,44 4.263,45 22296,47 1.656,48 16.054,49 0.04,50 9,52 3,53 2,54 1,55 2,56 0.568,57 238.611,58 1.1,59 10.168,60 1.894,61 30.018,62 12.162,63 5.446,64 11.234,65 12.667,66 1,67 0.695,68 1.055,69 4.925,70 2.029,71 11.753,72 4.678,73 0.141,74 3.546,75 1.196,76 247.193,77 6.22,78 -1.711,79 -1.711,80 -0.162,83 3.746,84 4.88,85 2.603,86 2.799,87 0.469,88 0.058,89 22.995,90 0.845,91 7.51,92 9,93 3.254,94 4.96,95 4.077,96 -0.419,97 262.153,98 5.361,99 1.86,100 10.313,101 7.715,102 13.239,103 21.304,104 7.175,105 2.141,106 4.661,107 9.588,108 247.193,109 7.709,110 18.898,111 247.193,112 247.193,113 247.193,114 4.769,115 23.823,116 21,117 2,118 1.975,119 5.158,120 3.927,121 5.111,122 4.099,123 9.671,124 3.999,125 4,126 4.846,127 7.21,128 11.359,129 15.288,130 17,131 0.679,132 4.912,133 4.418,134 0.598,135 14.238,136 1.327,137 3.685,138 111.736,139 6.3}
{0 CHEMBL85,2 7,5 125.248,7 1.853,8 1.16,9 1,10 4,11 1,12 1,13 2,14 0.16,15 1,16 1,17 0.429,18 1,21 42.631,22 0.287,23 0.6,25 1,26 0.417,27 0.675,28 1,29 0.294,30 5.841,31 3.841,32 3.841,33 1,34 1.746,35 2.398,36 4.727,37 6.843,38 1.043,39 2.873,40 4.718,41 0.384,42 3,43 4.156,44 4.156,45 53500,46 4,47 1.797,48 18.285,49 -0.064,50 11,52 10,53 2.045,54 4,55 1,56 0.576,57 203.298,58 1.956,59 10.454,60 1.957,61 28.304,62 12.261,63 5.58,64 11.361,65 12.784,66 1,67 0.689,68 1.027,69 5.188,70 2.084,71 15.959,72 5.151,73 1.263,74 3.854,75 1.092,76 317.82,78 1.402,79 1.402,80 0.696,81 1,82 1,83 3.822,84 5.188,85 9.396,86 2.966,87 0.748,88 0.082,89 33.588,90 1.075,91 6.872,92 9.247,93 3.496,94 5.296,95 4.304,96 0.584,97 332.78,98 5.1,99 2.135,100 10.467,101 8.281,102 17.426,103 26.023,104 26.754,105 2.165,106 2.649,107 13.071,108 317.82,109 7.969,110 24.941,111 317.82,112 317.82,113 317.82,114 5.064,115 57.591,116 27,118 2.041,119 5.368,120 4.085,121 5.339,122 4.515,123 12.374,124 4.011,125 5,126 5.222,127 6.725,128 12.405,129 17.648,130 11,131 1.977,132 5.131,133 4.961,134 0.805,135 16.942,136 1.447,137 5.364,138 93.146,139 8.015}
{0 CHEMBL85735,2 11,7 1.87,8 1.333,11 1,12 1,13 3,14 0.333,15 1,17 0.427,21 8.863,22 0.252,23 0.25,26 0.543,27 0.641,29 0.462,30 6.439,31 4.439,32 4.439,33 1,34 1.591,35 2.398,36 4.844,37 7.066,38 0.919,41 0.768,42 11,43 4.264,44 4.264,45 22296,47 1.657,48 17.947,49 0.149,50 13,52 3,53 2,54 1,55 2,56 0.696,57 258.964,58 1.1,59 10.168,60 1.895,61 31.457,62 12.162,63 5.446,64 11.234,65 12.667,66 1,67 0.695,68 1.184,69 4.953,70 2.036,71 15.165,72 4.845,73 0.083,74 3.684,75 1.185,76 282.506,77 6.386,78 -1.711,79 -1.711,80 -0.291,83 3.772,84 4.911,85 2.986,86 2.799,87 0.469,88 0.058,89 25.694,90 0.87,91 7.51,92 9,93 3.258,94 4.993,95 4.391,96 -0.425,97 282.506,98 5.361,99 1.86,100 10.313,101 7.715,102 14.909,103 22.102,104 7.175,105 2.141,106 4.661,107 10.947,108 282.506,109 7.738,110 20.882,111 282.506,112 282.506,113 282.506,114 4.802,115 8.863,116 24,117 2,118 1.986,119 5.236,120 4.045,121 5.174,122 4.099,123 11.191,124 4.005,125 4,126 5.019,127 7.21,128 11.875,129 16.658,130 17,131 0.679,132 4.98,133 4.418,134 0.605,135 16.078,136 1.327,137 3.724,138 114.626,139 6}
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{0 CHEMBL862,2 1,7 1.904,8 1,17 0.467,21 82.58,22 0.207,23 1,25 1,26 0.6,27 0.617,29 0.4,30 5.668,31 3.668,32 3.668,34 1.119,38 0.683,39 -0.819,41 1.281,43 3.921,44 3.921,45 897,47 1.201,48 5.614,49 0.205,52 1,53 1.636,56 0.816,57 58.856,58 0.969,59 9.307,60 1.474,61 8.028,62 10.875,63 5.2,64 10.029,65 11.441,67 0.761,68 0.867,69 4.085,70 1.978,71 1.886,72 3.335,73 -1.197,74 2.419,75 1.217,76 58.856,78 -5.892,79 -5.892,80 -1.469,83 3.352,84 4.085,85 -0.002,86 1,88 0.089,89 5.634,90 0.105,91 4.123,92 8.213,93 2.815,94 4.113,96 -2,97 58.856,98 2.398,99 -0.487,100 9.205,101 5.278,102 4.088,103 8.947,104 53.442,105 1.817,106 3.502,107 3.858,108 58.856,109 6.64,110 4.871,111 58.856,112 58.856,113 58.856,114 3.95,115 82.58,116 9,118 1.781,119 4.09,120 2.658,121 3.885,122 2.216,123 2.562,124 3.883,125 1,126 3.398,127 4.523,128 3.013,129 3.008,130 3,131 -0.5,132 3.92,133 2.352,135 3.225,136 1.163,137 4.233,138 126.051,139 6.873}
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{0 CHEMBL990,2 4,7 1.976,8 1.125,11 1,12 1,13 1,14 0.125,15 1,17 0.44,21 3.124,22 0.239,23 0.667,26 0.667,27 0.573,29 0.654,30 5.539,31 3.539,32 3.539,34 1.597,38 0.878,41 0.561,42 9,43 4.313,44 4.313,45 10006,47 1.657,48 20.519,49 0.277,50 9,52 2,53 1.882,54 2,56 1.018,57 317.82,58 1.625,59 10.086,60 1.857,61 21.606,62 11.735,63 5.367,64 10.858,65 12.278,67 0.715,68 1.354,69 4.691,70 2.139,71 12.725,72 4.832,73 0.08,74 3.599,75 1.24,76 317.82,78 -1.823,79 -1.823,80 -0.612,83 3.917,84 4.613,85 1.927,86 2.762,87 0.474,88 0.078,89 20.587,90 0.87,91 6.754,92 8.981,93 3.407,94 4.968,95 2.383,96 -0.618,97 317.82,98 4.248,99 1.879,100 10.005,101 6.979,102 16.706,103 16.838,104 4.211,105 2.03,106 1.754,107 12.298,108 317.82,109 7.957,110 20.674,111 317.82,112 317.82,113 317.82,114 4.773,115 3.124,116 27,118 2.049,119 5.318,120 3.91,121 5.127,122 3.59,123 11.919,124 4.053,125 3,126 4.796,127 6.88,128 11.978,129 17.295,130 18,131 0.649,132 5.022,133 4.119,134 0.521,135 15.823,136 1.34,137 4.73,138 158.025,139 5.651}
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{0 CHEMBL99868,1 2.224,2 8,3 1,4 1,5 133.274,6 1,7 1.774,8 1.16,9 1,10 3,11 2,12 2,13 2,14 0.16,15 1,16 1,17 0.44,18 5,21 25.648,22 0.251,23 0.6,24 1,25 1,26 0.472,27 0.674,28 1,29 0.3,30 6.141,31 4.141,32 4.141,33 1,34 1.732,35 2.398,36 4.727,37 6.843,38 1.023,39 2.271,40 4.471,41 0.342,42 1,43 4.226,44 4.226,45 97211,46 3,47 1.796,48 23.533,49 0.167,50 3,51 0.86,52 7,53 2,54 7,55 2,56 0.824,57 411.989,58 2.551,59 10.545,60 1.983,61 43.385,62 12.375,63 5.542,64 11.475,65 12.898,66 4,67 0.696,68 1.154,69 5.431,70 2.058,71 21.744,72 5.399,73 1.695,74 4.152,75 1.146,76 411.989,77 28.395,78 2.198,79 2.198,80 1.146,81 1,82 1,83 3.876,84 5.287,85 6.416,86 3.056,87 0.725,88 0.071,89 46.542,90 1.027,91 7.092,92 9.341,93 3.548,94 5.336,95 4.984,96 1.027,97 411.989,98 5.468,99 2.12,100 10.58,101 8.766,102 19.358,103 33.712,104 17.227,105 2.12,106 4.883,107 14.632,108 411.989,109 7.958,110 32.353,111 411.989,112 411.989,113 411.989,114 5.153,115 25.648,116 35,118 2.031,119 5.557,120 4.395,121 5.578,122 4.805,123 16.4,124 3.943,125 5,126 5.539,127 6.919,128 16.7,129 23.873,130 31,131 2,132 5.329,133 5.057,134 0.825,135 23.497,136 1.365,137 7.938,138 158.322,139 9}
{0 CHEMBL99916,1 2.114,2 8,3 1,4 1,5 118.393,6 1,7 1.782,8 1.167,9 1,10 4,11 2,12 2,13 2,14 0.167,15 1,16 1,17 0.436,18 5,21 25.648,22 0.256,23 0.6,24 1,25 1,26 0.439,27 0.689,28 1,29 0.297,30 6.141,31 4.141,32 4.141,33 2,34 1.646,35 3.045,36 5.283,37 7.286,38 0.995,39 2.25,40 4.453,41 0.361,43 4.226,44 4.226,45 69427,46 3,47 1.69,48 20.88,49 0.117,50 1,51 0.8,52 7,53 2.041,54 7,55 2,56 0.826,57 364.904,58 2.404,59 10.443,60 1.852,61 38.734,62 12.303,63 5.542,64 11.4,65 12.825,66 4,67 0.69,68 1.135,69 5.277,70 2.053,71 18.169,72 5.164,73 1.181,74 4.004,75 1.129,76 353.133,77 22.832,78 1.372,79 1.372,80 1.027,81 1,82 1,83 3.803,84 5.246,85 6.452,86 3.038,87 0.682,88 0.064,89 42.091,90 1,91 6.983,92 9.249,93 3.537,94 5.253,95 4.956,96 1.01,97 364.904,98 5.429,99 2.084,100 10.504,101 8.52,102 17.144,103 29.399,104 17.227,105 2.15,106 4.883,107 12.987,108 364.904,109 7.876,110 29.317,111 364.904,112 364.904,113 364.904,114 5.065,115 25.648,116 31,118 2.021,119 5.455,120 4.253,121 5.465,122 4.638,123 14.609,124 3.938,125 5,126 5.415,127 6.828,128 14.309,129 20.387,130 26,131 2,132 5.221,133 5.04,134 0.737,135 20.201,136 1.365,137 6.853,138 137.246,139 8.77}