diff --git "a/Scoring/Consensus/NRAM_consensus_scores.csv" "b/Scoring/Consensus/NRAM_consensus_scores.csv"
new file mode 100644--- /dev/null
+++ "b/Scoring/Consensus/NRAM_consensus_scores.csv"
@@ -0,0 +1,6299 @@
+Molecule Name, RMSD_Energy
+C09442038_decoy,-8.488169913585702
+C66322924_decoy,-8.513418185565667
+C13783526_decoy,-8.980158633124434
+C37009784_decoy,-7.9142234505312095
+C03871476_decoy,-8.630349976602231
+C35465907_decoy,-9.603243735425544
+C11530582_decoy,-9.475014406817168
+C22062002_decoy,-7.149567432082999
+C14920801_decoy,-8.043199628932518
+C38773980_decoy,99.0
+C39362774_decoy,99.0
+C02129978_decoy,-7.304883322813777
+C12896772_decoy,-7.582620028819182
+C08602640_decoy,-7.120458719442927
+C03954302_decoy,-7.075592682180745
+C37538895_decoy,-6.199986561546084
+C63187674_decoy,-9.048685478824654
+C03832748_decoy,-8.861143175113748
+C39024531_decoy,-10.695749498055912
+C39559706_decoy,-9.606941412940394
+C05223166_decoy,-7.05898303072293
+C20922935_decoy,-5.790569421962378
+C13683402_decoy,-6.997403570644618
+C45520781_decoy,-8.731401869614732
+C09705918_decoy,-5.668676747647652
+C33764918_decoy,-8.149717468265383
+C10415340_decoy,-8.793401940441461
+C03998852_decoy,99.0
+C21969692_decoy,-7.407349909401079
+C44960172_decoy,-12.745948004681566
+C02539067_decoy,-8.84507960633694
+C38792148_decoy,-6.856230457097537
+C12898585_decoy,-9.84177662939945
+C64219076_decoy,-11.357289596064923
+C13415180_decoy,-7.513942003365235
+C22471029_decoy,-9.314391749160274
+C44699317_decoy,-6.9583954397064005
+C38959509_decoy,-9.674212515971336
+C22066577_decoy,-9.80477777357306
+C35645439_decoy,-6.258813679893336
+C11867571_decoy,-6.710233061365499
+C13322012_decoy,-5.27579284396533
+C40651531_decoy,-7.232024255764458
+C20915795_decoy,-7.702272622989537
+C25502874_decoy,-7.984419497189338
+C08742605_decoy,-8.781665636316228
+C12296391_decoy,-16.00178358587907
+C65832403_decoy,-7.706710916987367
+C39953302_decoy,-5.74093123154021
+C40812898_decoy,-9.91456978543374
+C43505217_decoy,-7.27949122372806
+C03830983_decoy,-6.842877811356133
+C11865446_decoy,-6.662217096011004
+C58994240_decoy,-7.718703601713869
+C03977952_decoy,-8.621536762727057
+C40283558_decoy,-7.376891205158961
+C59914587_decoy,-7.034589008390112
+C13255610_decoy,-7.657085794988578
+C22061835_decoy,-7.435162916631304
+C39939244_decoy,-9.560201425284712
+C43758960_decoy,-8.168674476034905
+C00103154_decoy,-7.932349572065672
+C08829785_decoy,-6.251677128923559
+C42106455_decoy,-8.217626181308988
+C12654555_decoy,-6.885405006669968
+C44934685_decoy,-10.20604733239133
+C65748740_decoy,-9.88676070959421
+C13335403_decoy,-6.212006679532705
+C39969670_decoy,-7.317231802375767
+C35455270_decoy,-6.489756182534872
+C37538972_decoy,-7.758644248976403
+C40749861_decoy,-8.532907881993495
+C12504150_decoy,-6.787680900732438
+C17027415_decoy,-7.624572219877271
+C35464812_decoy,-7.982994000389609
+C04990788_decoy,-6.843489993897885
+C13399983_decoy,99.0
+C43465455_decoy,-6.864374326387764
+C04984390_decoy,-7.667101905210214
+C13260056_decoy,-9.193249347328567
+C35271177_decoy,-10.040690675693469
+C35361010_decoy,-9.415418640935329
+C35644850_decoy,-9.07978755270265
+C14443536_decoy,-6.54552684429547
+C06569133_decoy,-6.800474432149771
+C13403041_decoy,-7.185809157930315
+C21896949_decoy,-9.040172991461151
+C39560136_decoy,-6.095179334498216
+C39612094_decoy,-8.200932958514745
+C02539724_decoy,-7.099702235093125
+C04095713_decoy,-7.00793239973069
+C05600138_decoy,-10.575892357240086
+C12358840_decoy,-7.149648611942707
+C39016535_decoy,-9.713311740007628
+C43889886_decoy,-7.593488341232617
+C03347202_decoy,-9.568994710026992
+C12609753_decoy,-7.510885387084818
+C33373507_decoy,-7.681805577395743
+C48303428_decoy,-7.615728261981735
+C09677989_decoy,-6.790252304483468
+C34898303_decoy,-7.505405904233322
+C63883144_decoy,-8.354089738660344
+C15052293_decoy,-7.288584976532817
+C21322297_decoy,-8.285375719450112
+C39740933_decoy,-7.681619612108719
+C44919314_decoy,-6.234484668404797
+CHEMBL294700_active,-9.104227532554598
+C40158687_decoy,-6.903961801963887
+C67498034_decoy,-8.326385246569773
+C64219079_decoy,-11.384822774972784
+C00956378_decoy,-9.050089244230982
+C17164703_decoy,-6.96325948982801
+C18248463_decoy,-9.491165644922376
+C33893526_decoy,-8.321890167317665
+C48703998_decoy,-6.512721779745893
+C13220698_decoy,-8.027237797573504
+C13415699_decoy,-7.0549567580102615
+C14984975_decoy,-8.618868336203578
+C04096704_decoy,-6.481774684128763
+C08346238_decoy,-7.463780564692979
+C39680370_decoy,-6.724892924208343
+C66977634_decoy,-7.931216743018736
+C13245211_decoy,-8.327416204545843
+C39616156_decoy,-9.2031975531414
+C48759537_decoy,-6.642317065930061
+C13393399_decoy,-8.325841180295276
+C33982313_decoy,-7.083511855017321
+C45692690_decoy,-8.05485088897056
+C05141180_decoy,-7.589069961851126
+C51886137_decoy,-7.903233281088531
+C03348426_decoy,-5.015039218960099
+C67266978_decoy,-7.122798657048083
+C05286368_decoy,-10.45909206416932
+C13235828_decoy,-7.531993022371305
+C13254053_decoy,-7.084223314260729
+C28570197_decoy,-8.457077659183966
+C33373509_decoy,99.0
+C38599973_decoy,-6.804499183263679
+C39953301_decoy,-4.441186579026947
+C40109051_decoy,-7.937070840279827
+C44028862_decoy,-1.9237833124908208
+C35645384_decoy,-5.415492766718554
+C22471001_decoy,-10.158489565604231
+C43264521_decoy,-5.255497443797909
+C59898964_decoy,-7.338113301048608
+C13206126_decoy,-7.439991220821395
+C63227359_decoy,-5.701522230690605
+C66908002_decoy,-7.457876056165766
+C13236095_decoy,-6.919302319370614
+C39547920_decoy,-6.2658956920046105
+C13235797_decoy,-7.277250608261056
+C13398159_decoy,-7.277590879655982
+C32750923_decoy,-7.721997810382319
+C36590029_decoy,-9.70575715564402
+C39692058_decoy,-6.966015858612984
+C05224796_decoy,-7.157394406521969
+C09247966_decoy,99.0
+C54895487_decoy,-6.859514178246595
+C35456686_decoy,-10.05491556945008
+C36375376_decoy,-7.647469045773192
+C62097461_decoy,-8.888654144634335
+C65739161_decoy,-6.641926754022298
+C00956384_decoy,-7.26056658463105
+C02117115_decoy,-12.041009942041452
+C39690339_decoy,-7.492335029074828
+C38786944_decoy2,-9.145818544048572
+C43595733_decoy,-10.963788520106618
+C63485903_decoy,-6.406900778573457
+C67172012_decoy,-8.999343461209241
+C22441950_decoy,-7.05389526892966
+C39881909_decoy,-7.737126965702093
+C09482558_decoy,-6.369174124997071
+C15885487_decoy,-7.827467975119722
+C58275771_decoy,-7.890026931620223
+C14984478_decoy,-7.791542891148
+C36593229_decoy,-6.373387224387337
+C63349322_decoy,-7.477687026243655
+C03470684_decoy,-7.189548079141276
+C39692868_decoy,-7.631688534971153
+C46919363_decoy,-8.149242043159012
+CHEMBL294427_active,99.0
+C01703638_decoy,-7.965295935315476
+C08133963_decoy,-6.706437964074135
+C20464478_decoy,-9.12890790619717
+C44960171_decoy,-5.8977030613753945
+C05547009_decoy,-8.626718662348798
+C09884604_decoy,-7.199934558486241
+C01724865_decoy,-6.976617511047538
+C39267169_decoy,-7.284163916010552
+C09377084_decoy,-5.736439995854854
+C40287943_decoy,-7.6810262555140625
+C05222711_decoy,-6.8288072466283545
+C47913899_decoy,-8.526355964624107
+CHEMBL307189_active,-20.452268070846618
+C04971867_decoy,-5.897074890207493
+C13262074_decoy,99.0
+C16942442_decoy,-6.62246683885048
+C31157104_decoy,-6.603168471086062
+C04429547_decoy,-7.723832165138043
+C13520562_decoy,-6.662476189681874
+C31154833_decoy,-6.607692839768859
+C39361887_decoy,-7.286923372781125
+C13251354_decoy,-9.001950611992674
+C43509402_decoy,-7.012267282945362
+C12657776_decoy,-7.451918963168064
+C20922598_decoy,-7.048995557375957
+C04095714_decoy,-7.032556262104619
+C08740074_decoy,-6.355437513975593
+C13245512_decoy,-7.568680502746357
+C48647246_decoy,-7.423124495551576
+C35050969_decoy,-8.067273617694125
+C43746950_decoy,-8.611110290098393
+C04095664_decoy,-6.530968208566874
+C58927359_decoy,-7.300406840363496
+C05567542_decoy,99.0
+C20365784_decoy,-7.075622147993358
+C49244056_decoy,-8.329869879797437
+C55622040_decoy,-7.046610019665458
+C40124465_decoy,-7.8255770258927715
+C44960204_decoy,-9.212667633887785
+C63426783_decoy,-8.490311050773226
+C04097706_decoy,-6.842908059267779
+C19182218_decoy,-7.381460129834432
+C19857527_decoy,-7.063631399410187
+C35271788_decoy,-6.845446646009831
+C41556842_decoy,-5.052817026922615
+C14902735_decoy,-9.188281502129543
+C05613346_decoy,-6.983520724894822
+C22249677_decoy,-7.288607631477683
+C25404000_decoy,-7.548485772566106
+C37557047_decoy,-7.91690038109546
+C64872977_decoy,99.0
+C67078412_decoy,-9.50955176154386
+C13232931_decoy,-9.984625070861052
+C31167087_decoy,-4.428472449689087
+C39016134_decoy,-9.358675646030392
+C39692853_decoy,-8.813001812809135
+C13027218_decoy,-6.148569707635772
+C13124297_decoy,-8.472844147852534
+C26785831_decoy,-9.270130328578816
+C39440512_decoy,-6.65778901280151
+C40418951_decoy,-6.3052765452470165
+C13236619_decoy,-6.723801627742233
+C13543578_decoy,-9.05755028746264
+C24841197_decoy,-6.839179599512617
+C09244094_decoy,-8.687561332391066
+C12655829_decoy,-7.525926445333711
+C13486977_decoy,-7.363708053255342
+C13519113_decoy,-6.234488619498898
+C31155176_decoy,-7.014613984731348
+C35612153_decoy,-8.023737997239847
+C05052084_decoy,-8.431877264342797
+C12652120_decoy,-7.219917150891081
+C05541635_decoy,-5.133318962486668
+C13235179_decoy,-7.581150922022806
+C24749950_decoy,-5.719828605083957
+C39947078_decoy,-7.133603460858345
+C67498139_decoy,-6.557880894253447
+C04830793_decoy,-9.797812442153214
+C44136129_decoy,-6.480214028133619
+C46867972_decoy,-8.124600278850599
+C47613789_decoy,-7.997340649316578
+C67413716_decoy,-8.417244362873259
+CHEMBL251786_active,-9.921824917763878
+C03953883_decoy,-5.260645331024432
+C06761072_decoy,-6.368515645800312
+C18207025_decoy,-7.1540775772947045
+C46574112_decoy,-8.36791349687162
+C15416870_decoy,-8.197372681468577
+C35051232_decoy,-6.009538966111789
+C65747714_decoy,-5.744601278434901
+C67385880_decoy,-12.224465257116016
+C11592789_decoy,-5.969853562658603
+C14806662_decoy,-7.366949046988272
+C62319835_decoy,-6.804376620134338
+C65135836_decoy,-5.3716021754404535
+C67479748_decoy,-7.079611316901458
+C20830685_decoy,-8.242115273906858
+C24704794_decoy,-7.185103818777213
+C33603843_decoy,-8.680899358952797
+C37538899_decoy,-6.31353226579051
+C63796081_decoy,-7.048799313180676
+C40376663_decoy,-9.196212170118097
+C49047949_decoy,99.0
+C64219257_decoy,-6.535426007793136
+CHEMBL344548_active,-16.33184247176529
+C05613352_decoy,-6.584613945457551
+C13235678_decoy,-7.009579509873943
+C20544697_decoy,-7.631512092991977
+C15657717_decoy,-6.783868718566437
+C17196559_decoy,-8.388657448536577
+C20494044_decoy,99.0
+C35456519_decoy,-5.73631581571255
+C48732735_decoy,-8.28916316542032
+C52901063_decoy,-6.96710703436744
+C67175813_decoy,-7.485640871967481
+C04258480_decoy,-5.574100457217006
+C33902774_decoy,99.0
+C39561970_decoy,-7.087589228463539
+C44790312_decoy,-8.80166581241263
+C59403380_decoy,-9.485085071509117
+C05648266_decoy,-6.180354448401686
+C05690968_decoy,-5.635241960689013
+C40794136_decoy,-6.0568814856913145
+C43227068_decoy,-7.0248105367177205
+C43509694_decoy,-7.312911992563047
+C57454202_decoy,-6.963759319631446
+C12463195_decoy,-6.292708033976147
+C23236857_decoy,-8.775555171811366
+C39691618_decoy,-10.57949353277916
+C40376662_decoy,-8.89133074605081
+C40781947_decoy,-5.162162410116862
+C01606196_decoy,-7.893674580841248
+C06091164_decoy,-6.298571468808731
+C08926345_decoy,-6.1330612323578055
+C12504333_decoy,-8.214479404401164
+C20548427_decoy,-9.670241522007156
+C28071382_decoy,-12.880527428340782
+C31158691_decoy,-6.897174418310504
+C39351897_decoy,99.0
+C40714297_decoy,-7.71152008946745
+C44690161_decoy,-7.356342130512726
+CHEMBL136111_active,-21.750385607548463
+C03894276_decoy,-5.901345706084486
+C05647637_decoy,-6.818852374526797
+C31053320_decoy,-6.952347140033304
+C36590534_decoy,-9.064877127334368
+C44902926_decoy,-7.73504244768907
+C61814224_decoy,-7.451539641123021
+C62101882_decoy,-7.848528941562152
+C14858117_decoy,-6.581323160316916
+C20760945_decoy,-7.207738373151628
+C35455110_decoy,-7.648390525957035
+C57325037_decoy,-6.832991123059915
+C66625193_decoy,99.0
+C66640236_decoy,-7.89341147918363
+C13250398_decoy,-7.736965813645774
+C31157217_decoy,-6.577588901736019
+C35183012_decoy,-6.614121748881768
+C36206224_decoy,-9.541383552896813
+C36296302_decoy,-8.01520336853174
+C39277144_decoy,-5.846291562005428
+C24704744_decoy,-7.037682945736868
+C39246116_decoy,-9.454180928703456
+C66941805_decoy,-9.447091190632822
+C11657344_decoy,-9.085767136199625
+C38570747_decoy,-8.72181231647946
+C39979955_decoy,-8.319109528163303
+C65740709_decoy,99.0
+C00171550_decoy,-7.977263787518187
+C13027267_decoy,-6.55491979672476
+C18199354_decoy,-4.518388423446643
+C18287601_decoy,-8.720750312641297
+C29058827_decoy,-5.508327025820214
+C39224549_decoy,-5.853155249928063
+C40761363_decoy,-10.072131021555258
+C01600202_decoy,-4.305809518008809
+C04639354_decoy,-7.778772542738308
+C05600136_decoy,-6.298090323564234
+C12405090_decoy,-7.857678528471846
+C13957101_decoy,-8.326546799204436
+C05004949_decoy,-5.816856540643504
+C09913514_decoy,-8.103281559613562
+C35185488_decoy,-6.4143337014584345
+C41033893_decoy,-6.724401816991962
+C41961336_decoy,-8.692993625580693
+CHEMBL254885_active,-15.903746714683182
+C02707482_decoy,-11.39546257132992
+C31155045_decoy,-7.244654258683677
+C35024220_decoy,99.0
+C36366776_decoy,-9.010315180172183
+C45859804_decoy,-5.848766218969884
+C55581201_decoy,-7.257314799895551
+C67491116_decoy,-6.59917504583227
+C67610058_decoy,-7.287439531759702
+C13551787_decoy,-6.534867016761172
+C20292266_decoy,99.0
+C35051236_decoy,-6.516277956448114
+C37538897_decoy,-6.712806872837284
+C38243977_decoy,99.0
+C39041124_decoy,-7.622881636535665
+C63020632_decoy,-8.587442846297195
+C66241339_decoy,-4.77443815201443
+C66519288_decoy,-7.285667776434542
+C04217548_decoy,-6.310288231494498
+C05808789_decoy,-7.76554228701649
+C12429154_decoy,-6.316671446049999
+C26826141_decoy,-4.3924128448620126
+C63426784_decoy,-7.930684535252944
+C66641915_decoy,-6.890504697936012
+C66939298_decoy,-12.83485053875426
+C04096703_decoy,-5.443527176431514
+C15657774_decoy,-6.84523250082907
+C31165576_decoy,99.0
+C38030159_decoy,-9.192909162583778
+C49601416_decoy,-5.997274792181892
+C61871137_decoy,-5.846587127904551
+C61875031_decoy,-7.006216206808865
+C01630185_decoy,-6.577845583305713
+C04095490_decoy,-5.828186531858032
+C05222723_decoy,-6.866831940233211
+C09970297_decoy,-7.614750975991035
+C25763680_decoy,-6.430895645390398
+C35271758_decoy,-9.277561098331155
+C36788211_decoy,-7.707695283202308
+C38570779_decoy,-7.65132087687642
+C47439092_decoy,-7.254047338039317
+C48278390_decoy,-9.167236405803926
+C51036516_decoy,-8.996417395466176
+C04773659_decoy,-5.84131805265712
+C04821682_decoy,-5.367893942488132
+C24584566_decoy,-5.347178889271095
+C35479240_decoy,-3.9082487235730095
+C49079459_decoy,-9.026443035510324
+C52778619_decoy,-5.799177409764188
+C62132081_decoy,-8.046364392360307
+C63384086_decoy,-9.319148601919084
+CHEMBL293591_active,99.0
+C11939625_decoy,-7.014143270289226
+C21319001_decoy,-5.739794526099395
+C35367186_decoy,-10.366724395430278
+C39560192_decoy,-4.850330283747916
+C40376062_decoy,-9.463794887427188
+C40794779_decoy,-6.676861744159436
+C48647402_decoy,-5.940142271029393
+C57941617_decoy,-6.728003136394283
+C04556905_decoy,-5.256700794856243
+C09550283_decoy,-9.705607981041547
+C13425010_decoy,-5.957290689123659
+C14748140_decoy,-7.621312670946587
+C20564909_decoy,-7.810817318103707
+C38317766_decoy,-6.211716815911992
+C39362784_decoy,-6.840778494740521
+C48591526_decoy,-9.010350302422172
+C49601718_decoy,-6.913362804001106
+C66241530_decoy,-4.319393192988268
+C02583088_decoy,-12.77440527147764
+C06239327_decoy,-7.551812657408976
+C08918577_decoy,-7.002020759733548
+C20077089_decoy,-9.599259224296974
+C22064058_decoy,-5.684029268324851
+C24841207_decoy,-5.05321832971689
+C37457154_decoy,99.0
+C44375836_decoy,-7.406341756677594
+C58912130_decoy,-6.8305567867779216
+C63188114_decoy,-5.923662834915476
+CHEMBL400552_active,-13.117110753847868
+C04963017_decoy,-6.835491584309098
+C13377892_decoy,-5.937863432534777
+C13394039_decoy,-6.799510759801408
+C13418429_decoy,-4.873618274405496
+C13443436_decoy,-9.432054821864154
+C39461699_decoy,-8.571759156097254
+C67152334_decoy,99.0
+C15899459_decoy,-7.225945099935815
+C16102365_decoy,-5.251074870991486
+C37917696_decoy,-7.179855228999711
+C66122804_decoy,-7.386281961021844
+CHEMBL292393_active,-13.17699524883024
+C20465887_decoy,-7.808081360186104
+C29043378_decoy,-5.522604349400005
+C33327150_decoy,-7.116637441196724
+C36929842_decoy,99.0
+C37432160_decoy,-10.349718906641362
+CHEMBL436250_active,-7.361746053645847
+C08926227_decoy,-5.444738274966462
+C12658570_decoy,-6.240174253168008
+C32365979_decoy,-5.943950675370602
+C32497931_decoy,-6.677042196240947
+C35614465_decoy,-10.812830164727195
+C49538650_decoy,-11.441775600209011
+CHEMBL81083_active,-5.795408193912064
+C05085593_decoy,-6.599799566388586
+C06147753_decoy,-8.614810759324223
+C40867840_decoy,-5.867495326298984
+C42471489_decoy,-7.096879080188097
+C48591652_decoy,-5.0561563791997575
+C65523501_decoy,-4.741197700518477
+C11740734_decoy,-7.667573958185118
+C15205799_decoy,-6.047854207786725
+C17153270_decoy,-6.89842107437415
+C33739914_decoy,-6.033660957842059
+C40418816_decoy,-7.384252868002124
+C42852544_decoy,-7.451407903957647
+C50631933_decoy,-8.689756056988461
+C52010931_decoy,-8.178700479615056
+C59403087_decoy,-6.374225368543108
+C67126398_decoy,-8.322309993966915
+CHEMBL139367_active,-10.412303975560036
+C04830737_decoy,-5.8348442739375
+C11740739_decoy,-7.371815570596079
+C21318847_decoy,-6.436997537493068
+C21327376_decoy,-5.558031566319088
+C22047822_decoy,-7.326657201447762
+C44699658_decoy,-6.803591876653214
+C51088695_decoy,-5.179458591783822
+C66582865_decoy,-7.9474136193004945
+C67591245_decoy,-5.480660408255788
+CHEMBL22350_active,-9.216420137948386
+C17061670_decoy,-6.525010346546086
+C31158225_decoy,-7.033692978231641
+C33727944_decoy,-6.711644568852432
+C39776981_decoy,-7.29807806537976
+C44021552_decoy,-6.863221658960838
+C49046531_decoy,-5.730316909505355
+C52498279_decoy,-9.460872473310332
+C67240164_decoy,-6.2249918714107215
+C04018025_decoy,-7.995897528093552
+C08880551_decoy,-4.985988375488248
+C13411444_decoy,-5.854826186922931
+C21078690_decoy,-7.02471665413083
+C33330782_decoy,-8.432696344524922
+C36736444_decoy,-11.786538389669127
+C12633361_decoy,-7.896535175819913
+C26961561_decoy,-6.497780183989375
+C37928779_decoy,-9.844556375963426
+C37934207_decoy,-7.5373713227451695
+C38656218_decoy,-6.511301968465132
+C41237982_decoy,-9.747579329788362
+C61976703_decoy,-6.263069011270778
+C63863389_decoy,-6.979127707984951
+C01559594_decoy,-6.761502732708556
+C12378692_decoy,-6.788141069082865
+C13425182_decoy,-7.314653324019233
+C14152325_decoy,-6.656083433029878
+C18405487_decoy,-7.858476331911529
+C34781865_decoy,99.0
+C37502123_decoy,-10.608637221777842
+C41094272_decoy,-8.531032248107879
+C49181771_decoy,-6.839807557092766
+C66672237_decoy,-8.272689618428979
+CHEMBL57800_active,-9.431272203833
+C02752261_decoy,-5.174325406704503
+C17086976_decoy,-8.528398126993254
+C39680514_decoy,-6.635574049577931
+C48998105_decoy,-6.677357115797223
+C50087537_decoy,-7.11516242842392
+C55280308_decoy,-6.222694157748893
+C61798141_decoy,-9.348627544964168
+C62102252_decoy,-7.658065576040813
+CHEMBL1161504_active,-9.126168318068896
+C58156590_decoy,-8.051709242936415
+C62794977_decoy,-8.016343951045997
+C00495492_decoy,-5.358371028575757
+C01756780_decoy,-8.047022095236832
+C06095187_decoy,-4.711476794498091
+C12098685_decoy,-5.132697723004122
+C12547793_decoy,-7.299756656183222
+C12896782_decoy,-6.313527498578276
+C13783898_decoy,-6.182481470724179
+C28615765_decoy,-7.0939361255998445
+C28849105_decoy,-5.373573501533314
+C35297447_decoy,-6.796532063431339
+C48702573_decoy,-9.368238711708097
+C50324700_decoy,-6.546140484526649
+C62243267_decoy,-6.32450597063843
+C67578485_decoy,-7.319839079740682
+CHEMBL193303_active,-9.430213163378289
+CHEMBL292853_active,-8.565301019343062
+C06510284_decoy,-8.687060123273557
+C15205906_decoy,-5.656489453263515
+C29870578_decoy,-6.113031982493813
+C31163748_decoy,-6.056885300468423
+C33063561_decoy,-7.425620477383673
+C51439150_decoy,-5.172906835884167
+C66387888_decoy,-6.22842651354541
+C04275847_decoy,-6.6701537843876215
+C04721319_decoy,-6.099903847164319
+C04737119_decoy,-7.072831937112444
+C05395604_decoy,-6.054567519608814
+C13145775_decoy,-7.437624497046976
+C13244808_decoy,-6.275640421663627
+C40514026_decoy,-7.265534088574646
+C45694434_decoy,-7.108192404589803
+C63479712_decoy,-6.751155439640344
+C04982298_decoy,-9.485685727239105
+C22066565_decoy,-7.342431766368488
+C31160178_decoy,-5.676000718416365
+C35271742_decoy,-9.800552447129604
+C35367216_decoy,99.0
+C40369618_decoy,-7.123308064548947
+C44791812_decoy,-9.3505747148807
+C67139503_decoy,-6.902506852224392
+C01596695_decoy,-9.448664329064336
+C05554438_decoy,-8.325082562178032
+C37054001_decoy,99.0
+C42074379_decoy,-6.864589514740481
+C58522053_decoy,-8.894904392706476
+C62779655_decoy,-8.168764187139942
+C06052040_decoy,-8.832283209361673
+C14743149_decoy,-6.904658051167147
+C22384408_decoy,-7.191583314282288
+C23649119_decoy,-6.5315874372510585
+C33833251_decoy,-4.7227261093687165
+C37538955_decoy,-7.391406714129273
+C38759730_decoy,-7.893543629424333
+C63403563_decoy,-9.196602778121544
+C05687390_decoy,-6.034133956468224
+C13033379_decoy,-6.317899835454792
+C35367221_decoy,-7.775870848192419
+C35611120_decoy,-7.386869650573621
+C40175687_decoy,-6.654941815586905
+C01579055_decoy,-8.580168105902152
+C02200816_decoy,-8.298035972075542
+C03281710_decoy,-4.247182390180586
+C37052777_decoy,-7.407652538029966
+C50397445_decoy,-9.263105387896564
+C52094739_decoy,-9.432779170320435
+C61808214_decoy,-7.786013064070203
+C03040474_decoy,-8.374297048580507
+C04716685_decoy,-4.685882072205983
+C13449230_decoy,-8.239245667952344
+C31165201_decoy,-4.9252691269669056
+C32376062_decoy,-7.552430903512619
+C36532642_decoy,-4.98163233104888
+C38642508_decoy,-8.97428665285523
+C39558237_decoy,-6.674153652601874
+C39558972_decoy,-6.49843662741034
+C42139232_decoy,-6.457795392933322
+C43743773_decoy,-5.8237252916288185
+C49984248_decoy,-7.007173337850551
+CHEMBL25549_active,-9.40967156205857
+C04116104_decoy,-5.58063157946724
+C04768984_decoy,-8.271668360076648
+C07334551_decoy,-8.375906286696909
+C15225670_decoy,-6.686228856783523
+C16744823_decoy,-4.832203978358029
+C26785624_decoy,-9.66088238279553
+C32597853_decoy,99.0
+C35183226_decoy,-6.250729686128913
+C37130897_decoy,-7.9651923737598
+C39381025_decoy,-9.127197702086995
+C39937433_decoy,-5.7692560396521815
+C42691433_decoy,-6.798527784833429
+C45124759_decoy,-5.454936057754254
+C51118763_decoy,-6.538940748887252
+C61675281_decoy,-9.039140178333374
+C64492112_decoy,-6.5454406678028745
+C67550670_decoy,-5.734898081657743
+C16215132_decoy,-5.675025495175042
+C20973366_decoy,-7.236893277445472
+C24177020_decoy,-7.331421035934173
+C31502634_decoy,-5.346991212963362
+C40347272_decoy,-6.902178000430115
+C50252737_decoy,-7.158895473976216
+C67577482_decoy,-7.913218954415485
+C00463013_decoy,-7.4558295334972735
+C12653065_decoy,-6.360740883476402
+C12763223_decoy,-6.496256104210559
+C13184403_decoy,-7.991307782068112
+C22059715_decoy,99.0
+C36587642_decoy,-11.199884680627529
+C39444209_decoy,-8.50783483681495
+C39692113_decoy,-8.803083681570735
+C48380205_decoy,-7.769346258763938
+C52634781_decoy,-5.931770393853752
+C54360703_decoy,-7.154449494266401
+C66088455_decoy,-6.839845919944017
+C10116377_decoy,-7.5412611425052285
+C13223272_decoy,-6.097345245060053
+C13448472_decoy,-7.655682282562098
+C25723168_decoy,-5.816540970179739
+C35455760_decoy,-7.782421906561447
+C39937192_decoy,-6.649315229872664
+C43465401_decoy,-5.810919140437863
+C55037238_decoy,-8.337388871399224
+C55596682_decoy,-6.116125688246392
+C66635002_decoy,-7.0487689388912775
+CHEMBL195288_active,-14.416522562217889
+C28616302_decoy,99.0
+C39351839_decoy,-7.040613468478487
+C41541526_decoy,-8.017625590486508
+C44934388_decoy,-8.484853834122106
+C46561866_decoy,99.0
+C67495083_decoy,-6.075716092629919
+C02123398_decoy,-6.633748699396952
+C05208087_decoy,-6.479210433715124
+C09453031_decoy,-6.342849078735717
+C12585963_decoy,-8.912044572349966
+C39693138_decoy,-6.575074914129323
+C40951880_decoy,-6.174923603647001
+C41121512_decoy,-9.569967719472976
+C49117561_decoy,-6.948407455437403
+C51093786_decoy,-4.943968837863385
+C58299093_decoy,-5.34872729904945
+C02793723_decoy,-9.850592783478538
+C20553202_decoy,-7.570335154835918
+C40348972_decoy,-6.474153267482858
+C40401851_decoy,-6.887909618688688
+C40517003_decoy,-7.016777352801013
+C40951217_decoy,-6.094549983759358
+C43771817_decoy,-5.887502993206173
+C45118516_decoy,-7.857509880988012
+C50705423_decoy,-9.098488720428158
+C55170613_decoy,99.0
+C62778484_decoy,99.0
+C64475446_decoy,-7.291727432098935
+C64643593_decoy,-8.318963226323946
+CHEMBL348207_active,-10.983290197552586
+C03313295_decoy,-7.204468340197424
+C13270130_decoy,-8.496885223506341
+C15958637_decoy,-6.4064811889332285
+C20715602_decoy,-5.851082001785502
+C37420753_decoy,-8.227631703907617
+C39709531_decoy,-7.521504851778184
+C40867419_decoy,-5.686758674033899
+C46805455_decoy,-6.484943193255398
+C02125950_decoy,-6.369528431915472
+C27093652_decoy,-5.10986221508602
+C36288626_decoy,-7.076935642434344
+C38009090_decoy,-8.489240650909315
+C44492199_decoy,-7.981716419058383
+C59332336_decoy,-5.544382862922078
+C62736073_decoy,-8.660334256442193
+C65742722_decoy,-6.952267716034459
+C05125500_decoy,-5.953356691246212
+C15206290_decoy,-5.438844222848626
+C17039748_decoy,-7.723761645345366
+C17214048_decoy,-8.72653493028276
+C20435728_decoy,-5.785709489455653
+C35367227_decoy,-9.469952446625422
+C35611393_decoy,-4.583845671157572
+C42028414_decoy,-8.169465835375725
+C49017946_decoy,-6.259650647211792
+C58995049_decoy,-7.200494136112782
+C59806449_decoy,-6.394396422565332
+C60411453_decoy,-6.826003973320705
+C67625824_decoy,-5.421779280189232
+C08624445_decoy,-6.439130671308534
+C15657718_decoy,-4.271189939627869
+C15952515_decoy,-7.315565596509571
+C16292182_decoy,-6.786741295860621
+C26959100_decoy,-7.7652264295209745
+C42192493_decoy,-6.892249115335908
+C42195090_decoy,-6.625136285678764
+C46815706_decoy,-6.688688999604164
+C52212758_decoy,-8.292071378273683
+C59369428_decoy,-7.543182575558581
+C04705722_decoy,-6.176598654738301
+C05547010_decoy,-10.243452776044547
+C40376406_decoy,-9.933614419563398
+C45487707_decoy,-6.799830671023467
+C50153030_decoy,-8.308862874776915
+C65443377_decoy,-7.11506349318307
+C67464455_decoy,-6.599786952030318
+C15276598_decoy,-8.46211894565327
+C37263643_decoy,99.0
+C37866091_decoy,-8.070750638286315
+C39571064_decoy,-6.226321628632631
+C61808632_decoy,-8.370024325472329
+C03878484_decoy,-6.838921494982974
+C06784452_decoy,-7.817678870913501
+C14806656_decoy,-6.075246754874863
+C20877787_decoy,-5.922834151951488
+C23867659_decoy,-6.717693556954196
+C37552563_decoy,-7.023552767139276
+C39937201_decoy,99.0
+C58345448_decoy,-6.65185364420177
+CHEMBL251787_active,-16.532267365360564
+C02321652_decoy,-7.727001484842159
+C03839477_decoy,-5.347268788433616
+C03977782_decoy,99.0
+C04823951_decoy,-6.076080013460341
+C06132818_decoy,-7.2345206205836785
+C09037820_decoy,-8.676505566895312
+C16958844_decoy,-7.920952915081015
+C34186946_decoy,-8.717699312594483
+C40292018_decoy,-7.518902064030774
+C42356774_decoy,-7.2018931162356425
+C50377068_decoy,-8.587592280379972
+C50949230_decoy,-7.525311406720857
+C62779777_decoy,-4.266688618626265
+C64940311_decoy,-8.171259154045103
+C04718459_decoy,-6.4494873825435866
+C05593413_decoy,-9.913172287595067
+C05774056_decoy,-7.313648774352835
+C06312157_decoy,-5.730639263150493
+C09065225_decoy,-7.556388313222786
+C10164449_decoy,99.0
+C13424772_decoy,-6.086461345110424
+C33727943_decoy,99.0
+C35185317_decoy,-8.380658711226053
+C35354615_decoy,-8.00038084321315
+C35365982_decoy,-6.09009797720979
+C36742802_decoy,-8.912786708953632
+C41852449_decoy,-5.019075523989324
+C47340657_decoy,-7.774602180217704
+C51840064_decoy,-4.98446363381457
+C59239017_decoy,-6.0945604110740375
+C61710529_decoy,-6.480166461353774
+C66774881_decoy,-4.805246792530453
+C02107435_decoy,-5.864065450804646
+C15690603_decoy,-7.2527189427062595
+C15956241_decoy,-6.160666168821337
+C17198104_decoy,-7.520869566416055
+C32088901_decoy,-11.113777891440623
+C35346813_decoy,-7.665258719332331
+C36367438_decoy,-7.649287653374203
+C39680497_decoy,-7.815344084411169
+C44315829_decoy,-8.016224145837015
+C44947341_decoy,-6.655847677010455
+C59483926_decoy,-7.287087727446975
+C62810722_decoy,-4.738834872499092
+C65565024_decoy,-6.33761846444257
+C02276842_decoy,-6.450416259790105
+C06761080_decoy,-5.49254489500345
+C35367241_decoy,-7.499705959692794
+C36283849_decoy,-6.911269617794317
+C48732762_decoy,-6.861716950329453
+C50350881_decoy,-7.108466156427339
+C50837209_decoy,-6.492886782599276
+C61091384_decoy,-10.19512003038101
+C67195783_decoy,-6.328456354316138
+CHEMBL352318_active,-6.800130687086074
+C01886819_decoy,-5.511162991109207
+C04963167_decoy,-5.93184533887555
+C05237870_decoy,-7.579366279411403
+C08991673_decoy,-4.725387052479723
+C11888718_decoy,-8.782168988419937
+C12879773_decoy,99.0
+C19474541_decoy,-8.944369024142018
+C20546657_decoy,-6.9309419347078345
+C28618084_decoy,-7.277833614110693
+C37682344_decoy,-7.824148450934419
+C39915924_decoy,-7.465840772579071
+C41094136_decoy,-7.607898454946203
+C43465480_decoy,-4.392481022464857
+C02120334_decoy,-5.986492524532548
+C21806699_decoy,-3.862671041237634
+C23370509_decoy,-8.990960614632327
+C38999115_decoy,-7.703973246554974
+C39958760_decoy,99.0
+C40071198_decoy,-7.5347524990088255
+C40172213_decoy,-6.46782794102926
+C61882065_decoy,-6.477220506412586
+C63812288_decoy,-5.932420293876559
+C66134751_decoy,-4.583657154579425
+CHEMBL430814_active,-10.990517405454035
+C08764209_decoy,-5.93285351136593
+C12486577_decoy,-7.214619830102618
+C27522566_decoy,-5.7516555876155255
+C31160903_decoy,-6.359101766780392
+C37933997_decoy,-4.797236637746156
+C40418947_decoy,-6.148020957311967
+C42968258_decoy,-7.727313339415828
+C46867381_decoy,-7.773621813073189
+C52386958_decoy,99.0
+C54397750_decoy,-8.315242591249188
+CHEMBL423292_active,-9.141542786575757
+C20804479_decoy,-9.130565245500009
+C36733942_decoy,-6.958852586053169
+C39916027_decoy,-6.641266815090066
+C40374915_decoy,-9.623815302057908
+C40376244_decoy,-8.238246726068647
+C42139229_decoy,-7.738035461192368
+C43193641_decoy,-6.474450463752077
+C44930369_decoy,-8.519226555517069
+C50397173_decoy,-9.941656364701773
+C52760257_decoy,-9.10759465609996
+C53736693_decoy,-6.896425094499334
+C61807502_decoy,-8.097712339337866
+C67103035_decoy,-7.264219889338141
+C67270034_decoy,-6.103632011593997
+C67643571_decoy,-6.146463323749068
+CHEMBL332608_active,-11.920767564050832
+C02107427_decoy,-6.352136988663286
+C06928672_decoy,-7.436843342689783
+C13564630_decoy,-6.58404717175323
+C15040530_decoy,-6.090040744280999
+C21501301_decoy,-6.990141909143797
+C35655979_decoy,-8.044931294896317
+C37934334_decoy,-7.566014582581531
+C48580608_decoy,-8.488341546504136
+C67540378_decoy,-7.187196560988481
+CHEMBL253625_active,-13.820281560695523
+C02130947_decoy,-6.712904930128397
+C19170552_decoy,-10.861107407634789
+C20292297_decoy,-5.102284703685756
+C37407647_decoy,-6.786553925394978
+C40794243_decoy,-7.755299508282115
+C41034631_decoy,-9.32192144342356
+C44348824_decoy,-6.93482552088679
+C51095215_decoy,-5.495200372661636
+C53808987_decoy,-4.535462432163332
+C67043067_decoy,-7.204318260982283
+C03310359_decoy,-5.015411255355677
+C07036548_decoy,-6.262559719435023
+C09144728_decoy,-9.975634514085284
+C26846148_decoy,-6.86084622072163
+C27265524_decoy,-6.356821324830164
+C39546553_decoy,-10.151242334884646
+C39697390_decoy,99.0
+C42100576_decoy,-7.667498301634842
+C42196288_decoy,-7.000306488991098
+C45873552_decoy,-5.865539377599789
+C48266375_decoy,-9.416596572185178
+C48858515_decoy,99.0
+C52005872_decoy,-6.229887822023632
+C01748574_decoy,-5.211469479685717
+C04004864_decoy,-5.1764889464384645
+C05222700_decoy,-6.54180824007534
+C09612567_decoy,-7.066874274339892
+C15052316_decoy,-6.045676587017695
+C15107834_decoy,-9.114078846367926
+C15205811_decoy,-4.982979753461269
+C20527639_decoy,-7.304331389641208
+C34898297_decoy,-6.456796492692306
+C36134825_decoy,-7.5931389129376194
+C36283904_decoy,-6.863728885244209
+C37671236_decoy,-7.556760542195658
+C42113149_decoy,-6.952916057400736
+C42196154_decoy,-9.03832094716742
+C45776868_decoy,-7.326232451560894
+C52904690_decoy,-7.330890219572763
+C53417573_decoy,-6.76895337746107
+C54111745_decoy,-9.483175500678104
+C58385412_decoy,-4.369294376438962
+C59024295_decoy,-5.446538502881241
+C67496644_decoy,-7.035898906175615
+C67587274_decoy,-6.703178505987029
+C06091152_decoy,-5.88796402107231
+C11904246_decoy,-6.2351797214899145
+C21297990_decoy,-7.469570634297131
+C42095412_decoy,-7.946470695094312
+C49176734_decoy,-6.929178210046087
+C61374244_decoy,-9.1394383822438
+C62171605_decoy,-7.026809612970859
+C62204303_decoy,-7.264726803071796
+C06945624_decoy,-7.263830337284761
+C15956807_decoy,-7.828218369631669
+C39527384_decoy,-6.706720914792633
+C40012572_decoy,-5.048896446153347
+C41071730_decoy,-8.84730352137899
+C42192511_decoy,99.0
+C49020313_decoy,-6.297378826910541
+C59362896_decoy,-7.37899624211775
+C63598727_decoy,-5.644030446608944
+CHEMBL23009_active,-9.055842650413716
+C09127139_decoy,-6.756830719876581
+C13404636_decoy,-7.020553161638351
+C13424698_decoy,-6.22782762727746
+C13542645_decoy,-5.6026205706016885
+C13571254_decoy,-5.029834459673837
+C17046325_decoy,99.0
+C22513718_decoy,-5.615177091047165
+C27986426_decoy,-4.944697965093151
+C40369600_decoy,-7.249902236069364
+C42500516_decoy,-8.188641019099162
+C52012270_decoy,-9.410122923919715
+C58428166_decoy,-7.232311011977484
+C63653652_decoy,-7.380126861331856
+C64033173_decoy,99.0
+C66093522_decoy,-7.694176619387629
+C66939211_decoy,-7.453019405584078
+C02793725_decoy,-6.517911367105185
+C05125498_decoy,-6.0076031491893085
+C20806678_decoy,-4.130023127253318
+C22148412_decoy,-7.842219506408223
+C23357540_decoy,-6.047915013423149
+C36978715_decoy,-7.052945291443381
+C39916034_decoy,-6.629832946756166
+C41094134_decoy,-6.768959258020463
+C47685019_decoy,-7.883681368387871
+C48591646_decoy,-5.257093425487667
+C52125959_decoy,-4.580245448862813
+C53413799_decoy,-8.7914938486045
+C62058294_decoy,-7.337715268203089
+C64080885_decoy,-7.76609853779296
+C64233191_decoy,-6.583743810729335
+CHEMBL278852_active,-9.040594964069042
+C02048917_decoy,-6.120950200065594
+C15871360_decoy,-5.255726440969887
+C16310449_decoy,-8.035678640873336
+C35457681_decoy,-5.947371886873147
+C38011625_decoy,-7.040561185799357
+C38690380_decoy,-7.99400966137793
+C45166804_decoy,-16.69661499143859
+C50469072_decoy,-5.452824572958303
+CHEMBL310217_active,-19.611697966186785
+C02155389_decoy,-5.9078974717499095
+C12127294_decoy,-7.798641975319145
+C12231167_decoy,-10.246266720644591
+C22054400_decoy,-3.496936629977291
+C31745886_decoy,-4.2777439894767175
+C35456714_decoy,-6.611033185670119
+C40495246_decoy,-6.895875725211224
+C40684997_decoy,-7.657043149615881
+C40760424_decoy,-6.800691343409877
+C44963491_decoy,-7.257436979768896
+C51482774_decoy,-7.256386206203975
+C52539653_decoy,-8.777176092952551
+C63833104_decoy,-6.840923835482261
+C03842711_decoy,-6.504764766657182
+C05502737_decoy,99.0
+C08682382_decoy,-9.283503066464151
+C33371157_decoy,-6.538085435868617
+C44730778_decoy,-6.681329245696274
+C47836207_decoy,-4.583214933085767
+C49063305_decoy,-7.614782375497058
+C49693035_decoy,-7.341964932585472
+C49912001_decoy,-8.463447755409623
+C50392677_decoy,-11.354915720360774
+C59024290_decoy,-6.085575255031371
+C62832727_decoy,-6.189829249154634
+C08869285_decoy,-5.806936873105447
+C36525276_decoy,-6.797232927595353
+C39680308_decoy,-5.988055496076633
+C40331781_decoy,99.0
+C42193021_decoy,-6.518060787240482
+C55305530_decoy,-6.716129078363718
+C61807273_decoy,-8.753211306367696
+C62834397_decoy,-7.050850862165772
+C66107482_decoy,-5.847166851431045
+C01693850_decoy,-6.676153865180583
+C08392488_decoy,-6.644237539886994
+C09975235_decoy,-6.085977123734909
+C12896777_decoy,-5.986001651347813
+C13523581_decoy,-5.576554264068681
+C19863973_decoy,-7.954453983166696
+C28624370_decoy,-7.918602704561657
+C34898305_decoy,-6.3894818594625695
+C35458216_decoy,-7.183676416530917
+C39558951_decoy,-4.945527020069517
+C39560217_decoy,-6.035728961075488
+C39915824_decoy,-8.025616224590825
+C41223807_decoy,-6.055002907713643
+C44784591_decoy,-6.2941943151463695
+C61369499_decoy,-11.78466002151359
+C66456642_decoy,-4.35262108403201
+C06093728_decoy,99.0
+C21537690_decoy,-7.805231765630565
+C35062927_decoy,-6.816717483880286
+C50306215_decoy,-7.225181929838066
+C50397252_decoy,-6.884914501350867
+C61323080_decoy,-6.440569951142912
+C61807527_decoy,-7.9160646839618
+C08636324_decoy,-7.31729150360719
+C12440096_decoy,-5.70039139613533
+C13019670_decoy,-6.364801170923881
+C13218834_decoy,-6.705650059368724
+C19848396_decoy,-6.392119659680464
+C20561258_decoy,-10.191596708739883
+C35358467_decoy,-9.3872192359111
+C36167276_decoy,-6.986362071115758
+C37486160_decoy,-7.3453367617732015
+C38062554_decoy,-7.765473506075985
+C41114386_decoy,-8.476764002308482
+C43430307_decoy,-9.06146604245282
+C44019181_decoy,-6.888648180203579
+C44218187_decoy,-7.21431872703461
+C52094744_decoy,-8.464427539081282
+C58862789_decoy,-7.497083785781544
+C60439747_decoy,-7.753585766592278
+C65781491_decoy,-7.222043027182428
+C05618589_decoy,-8.513078107503283
+C27660618_decoy,-4.847597407540956
+C38783622_decoy,-5.760573619022884
+C44253875_decoy,-8.25783706961119
+C44784186_decoy,-7.7153492301624835
+C47277138_decoy,-4.885801800256468
+C50419561_decoy,-7.655259274422125
+C50655928_decoy,-7.236885656410766
+C54859905_decoy,-7.197911039146921
+C66250628_decoy,-7.472812678067346
+C21315613_decoy,-5.19502306134432
+C21784510_decoy,-6.041827761027358
+C35346812_decoy,-8.398975458857434
+C39351838_decoy,-6.472140302090367
+C40322622_decoy,-8.718530884334516
+C41105292_decoy,-7.60274942586086
+C47115083_decoy,-8.934611201089318
+C53736898_decoy,-7.482983482091334
+C55850708_decoy,-8.261546597836618
+C67541534_decoy,-6.330278552540881
+CHEMBL22803_active,-7.370491488529861
+C01565266_decoy,-7.7595021991736814
+C04774530_decoy,-6.301040375921874
+C05647636_decoy,-8.053064756484186
+C09119331_decoy,-6.457220022231591
+C15777315_decoy,-8.023682080534085
+C32863601_decoy,-6.360267107478397
+C33719705_decoy,-6.660478235918708
+C37052615_decoy,-9.816826709986294
+C37573979_decoy,-9.90270060949592
+C37756900_decoy,-6.716168486386973
+C39959284_decoy,-6.100400750230884
+C40329364_decoy,-7.076327166376333
+C44019637_decoy,-5.920081990754642
+C48648400_decoy,-5.769006809534994
+C49128477_decoy,-9.10368583036304
+C67196605_decoy,-7.470181083980736
+C02782016_decoy,-6.7866702561731165
+C05530495_decoy,-5.846283223515512
+C11115575_decoy,-7.271596430303065
+C13582044_decoy,-4.515302175586059
+C20255518_decoy,-10.315158522935397
+C27491802_decoy,-8.49147563668895
+C31159891_decoy,-7.427710647763043
+C31958580_decoy,-10.222647931654317
+C33955979_decoy,-5.808952836961788
+C39224095_decoy,-6.279290274067413
+C48411647_decoy,-8.36040691418194
+C50395813_decoy,-10.602439972372496
+C56188506_decoy,-7.268460173084109
+C67190218_decoy,-7.7175731546004895
+C05222464_decoy,-6.246194641015922
+C12953183_decoy,-5.738759882179346
+C14982143_decoy,-4.183239152335138
+C20922783_decoy,-7.031137204186116
+C25257386_decoy,-7.255251840811017
+C27608597_decoy,-5.8752984866301725
+C37569239_decoy,-7.082499312235524
+C39321770_decoy,-5.961446657356012
+C40347258_decoy,-7.742534951079256
+C40696848_decoy,-9.176635061369222
+C44785038_decoy,-9.100787007973285
+C49063972_decoy,-9.057382330336868
+C49717652_decoy,-6.297510548702388
+C50252838_decoy,-7.084415239466075
+C51088308_decoy,-8.200528534894014
+C52759366_decoy,-9.021840413390745
+C55376760_decoy,-5.561639100776329
+C58832684_decoy,-5.996396583277646
+C62833836_decoy,-3.979233035355415
+C64081260_decoy,-8.439212105596887
+C67074369_decoy,-7.146504222387375
+C05759790_decoy,-6.132640296281123
+C13036308_decoy,-5.5351295264064655
+C13307461_decoy,-6.912391459628671
+C21801136_decoy,-6.424561942736485
+C25400843_decoy,-7.245786283960862
+C30983933_decoy,-4.616842651645624
+C35354658_decoy,-4.907421451778775
+C35691916_decoy,-7.000819593874229
+C37487856_decoy,-6.199487336551738
+C38601500_decoy,-5.078610729838878
+C43193642_decoy,-6.31312936707522
+C44882251_decoy,-7.14961555763672
+C49032363_decoy,-5.332454839442414
+C49120383_decoy,-7.755955233370232
+C67245428_decoy,-5.386630896127372
+C08925895_decoy,-6.13537525735453
+C17164713_decoy,-6.3593206051590085
+C32796076_decoy,-7.6117658830781885
+C33487016_decoy,99.0
+C33745048_decoy,-6.5075515995770665
+C35358561_decoy,-7.339507446170864
+C38009078_decoy,-8.085059689064652
+C44886595_decoy,-7.857569136611377
+C49234584_decoy,-9.063445052687758
+C49337881_decoy,-7.538486818764461
+C53216840_decoy,-5.3855645399208605
+C63808269_decoy,-7.398103351632478
+C66200625_decoy,-5.717633098751829
+C04188410_decoy,-6.761183052343688
+C13138246_decoy,-7.339958948409523
+C13251370_decoy,-7.362936547422667
+C13346771_decoy,-9.10926805983403
+C15169007_decoy,-6.521685432973662
+C17576332_decoy,-8.298966364485898
+C25148557_decoy,-5.675391092735564
+C34165725_decoy,-5.94634350466291
+C35050965_decoy,-6.620764620228323
+C41583045_decoy,-10.13518055784552
+C43209248_decoy,-6.149043529191252
+C45873302_decoy,-6.33962763656428
+C50031031_decoy,-7.327956470129192
+C50291476_decoy,-10.811472653832764
+C52923822_decoy,-6.410999326796648
+C54386855_decoy,-6.9329248371218215
+C62037865_decoy,-6.118205056653492
+C66939834_decoy,-4.746293314943769
+C67426164_decoy,-7.229084467451277
+C07098488_decoy,-6.026879987864288
+C09331195_decoy,-8.039773332441104
+C11331505_decoy,-6.55785866205598
+C12378559_decoy,-6.41767993677754
+C13254712_decoy,-7.654698889681605
+C13691005_decoy,-4.695183818927477
+C14984476_decoy,-6.28989202937145
+C15911975_decoy,-7.907720735303782
+C16545996_decoy,99.0
+C19862676_decoy,-6.689703076452142
+C21045653_decoy,-8.935147335142082
+C35358326_decoy,-5.397078616963768
+C35609541_decoy,-6.538634226753427
+C38114427_decoy,-8.057887751284749
+C39709599_decoy,-6.785916280149552
+C43465478_decoy,-4.979852174850127
+C44932456_decoy,-7.399291594007065
+C44934073_decoy,-7.506202026296811
+C49074475_decoy,-8.8590080513404
+C54381063_decoy,-7.584398663758878
+C55621972_decoy,-5.188364973194002
+C58844303_decoy,-6.039078161468688
+C62100027_decoy,-6.170284568654703
+C64872897_decoy,-7.031379042202077
+C08720986_decoy,-6.415822941833726
+C12374475_decoy,-5.419972623813459
+C13367796_decoy,-4.813796983054038
+C13496795_decoy,-7.100749433906721
+C13638040_decoy,-5.1008309132034615
+C16215134_decoy,-5.362509079245704
+C20218694_decoy,-10.766158854107612
+C20292682_decoy,-5.712335669566403
+C26772268_decoy,-5.429241097163869
+C35354401_decoy,99.0
+C37760518_decoy,-4.887055552328012
+C38092146_decoy,-7.172364198511386
+C42445000_decoy,-7.1527841020787095
+C45011896_decoy,-4.756233053602787
+C46920375_decoy,-6.6779606356779215
+C64480247_decoy,-6.665431336102954
+C67541001_decoy,-6.269574544140687
+CHEMBL98906_active,-5.8246010900079535
+C08196942_decoy,-6.118033244708247
+C23115184_decoy,-7.039104882473876
+C31668359_decoy,-4.299235909574874
+C39680206_decoy,-6.151912537274181
+C48885436_decoy,-6.417676116146714
+C49238184_decoy,-8.474513601865478
+C49357112_decoy,-7.480652724024419
+C51094163_decoy,99.0
+C53736700_decoy,-6.156369888147674
+C64411352_decoy,-5.376319468675448
+C65331014_decoy,-4.940772167757657
+CHEMBL54479_active,-8.73306427887207
+C04823535_decoy,-5.903983234887535
+C04864451_decoy,-6.331578128005128
+C09612883_decoy,-5.620554299830652
+C13237273_decoy,-8.400095121110567
+C26961421_decoy,-8.281269116367751
+C36281891_decoy,-6.216023568160411
+C36288791_decoy,-8.259311583415046
+C38564669_decoy,-4.335130998776813
+C39558974_decoy,-5.491382277281091
+C40549435_decoy,-6.490168953771367
+C43238561_decoy,-8.671317649333247
+C44608165_decoy,-5.455872744384392
+C47275468_decoy,-6.251205122734312
+C49106216_decoy,-8.194164489431
+C50949153_decoy,-7.225095298283823
+C63180520_decoy,-7.509618394784489
+C65576252_decoy,-6.6204181956261605
+C67614660_decoy,-8.991233509538544
+C11736947_decoy,-6.849553236306996
+C13308668_decoy,-7.903326728897701
+C17020713_decoy,-5.898227713663824
+C20545106_decoy,-9.161578214023953
+C25008135_decoy,-7.473044818129383
+C32690921_decoy,-5.81416462320089
+C37731776_decoy,-7.917533918920112
+C39940128_decoy,-6.429015585699578
+C40327599_decoy,-7.780759286424086
+C43127902_decoy,-4.414526890272388
+C47217950_decoy,-5.524687315312475
+C61807338_decoy,-7.965546089173846
+C61809032_decoy,-7.551353713735104
+C62325312_decoy,-8.411319161484526
+C04991162_decoy,-6.32677325734731
+C05372410_decoy,-5.810602511424045
+C05594760_decoy,-7.41471960717847
+C09833859_decoy,-5.963886264194065
+C13778355_decoy,-4.566199469248296
+C35636254_decoy,-5.652793126939445
+C38719986_decoy,-7.745134656159222
+C40385439_decoy,-10.249311962585514
+C40686224_decoy,-5.76561936282994
+C42295140_decoy,-7.307893332813416
+C44028877_decoy,-5.944848632727982
+C47463410_decoy,-6.719660776497756
+C48411649_decoy,-7.398753830844112
+C48547822_decoy,-6.970816723702953
+C61855940_decoy,-6.452107040760545
+C62339082_decoy,-7.339174887867452
+C65832771_decoy,-6.159366942354492
+C66589387_decoy,-8.13727838725346
+CHEMBL81286_active,-9.14762749250796
+C04188502_decoy,-7.002625015384408
+C05224227_decoy,-5.384655973779877
+C12550784_decoy,-7.32565075477104
+C21276512_decoy,-5.370191053716493
+C31159448_decoy,-6.091086474586918
+C36733626_decoy,-9.310080062163076
+C37502122_decoy,-6.8874567945857965
+C37543259_decoy,-7.447120071829974
+C43509295_decoy,-5.41722137521619
+C48001526_decoy,-6.787580196730646
+C50393281_decoy,-8.458999338941226
+C63171072_decoy,-8.212728263330982
+C01557649_decoy,-6.020622387490477
+C38571099_decoy,-6.306506123517445
+C39916018_decoy,-5.520858151807711
+C40453327_decoy,-6.68974911159129
+C40520586_decoy,-6.909662638386944
+C40794302_decoy,-4.671385823316032
+C42028993_decoy,-6.842257190295589
+C48008046_decoy,-6.219829766953897
+C48341627_decoy,-6.413972783862032
+C48966279_decoy,-6.962736686317895
+C51119942_decoy,-7.225189256990222
+C59332334_decoy,-4.891161222287795
+C12501597_decoy,-4.628850717273602
+C17027522_decoy,-5.61538035931778
+C23628615_decoy,-6.53970554245295
+C32102263_decoy,-6.069235751434049
+C36532126_decoy,-8.838850275332332
+C40385080_decoy,-7.675481780658402
+C40760428_decoy,-5.775647833568647
+C42192742_decoy,99.0
+C43592518_decoy,-7.709451772231081
+C49079330_decoy,-8.664282922935223
+C49183045_decoy,-8.919330405461112
+C50392746_decoy,-6.563937369170024
+C51667832_decoy,-9.716966939036396
+C58570620_decoy,99.0
+C59293920_decoy,-4.715526259687736
+C61808590_decoy,-11.548659946235269
+C67523624_decoy,-5.52724589080168
+C03842456_decoy,-5.65670297919781
+C08665294_decoy,-5.3147146422171385
+C26786062_decoy,-12.319923646748643
+C35567592_decoy,99.0
+C35738184_decoy,-4.393279337331367
+C40687206_decoy,-8.248216246533678
+C42507212_decoy,-8.575753251241254
+C44886919_decoy,-6.984826660601601
+C46864209_decoy,-4.598192958634416
+C48961679_decoy,-6.624632446199137
+C49570775_decoy,-7.070043845232289
+C60380346_decoy,-6.6241712210794175
+C61364403_decoy,-7.580286916156215
+C62097464_decoy,-7.400890953916208
+C62811015_decoy,-8.212686666800892
+C63091668_decoy,-5.209822955541028
+C04772079_decoy,-6.111216749462027
+C07302545_decoy,-6.982324758199899
+C08771044_decoy,-6.460028489255187
+C11566808_decoy,-6.272432402767739
+C21788589_decoy,-7.780870145619912
+C26580473_decoy,-7.0332448352049015
+C36738622_decoy,-3.1093568692333515
+C37486205_decoy,-7.091081000512343
+C40794865_decoy,-6.330652761491225
+C43503468_decoy,-5.066376652569563
+C44168664_decoy,-5.888228817264467
+C44257225_decoy,-7.108183801715763
+C44780630_decoy,-7.447611188426857
+C49496842_decoy,-8.052321290808074
+C51577601_decoy,-9.963306584675614
+C57658364_decoy,-7.290281129044886
+C60340306_decoy,-7.770277745070175
+C66346602_decoy,-7.490151359151539
+C02858500_decoy,-6.814831906882149
+C09047571_decoy,-3.577039454620353
+C17196561_decoy,-4.885782514955691
+C20761909_decoy,-6.0596674019312
+C21839520_decoy,-6.941255516171331
+C35271459_decoy,99.0
+C35395440_decoy,-7.906691277885132
+C38008934_decoy,-7.970580106793105
+C39969672_decoy,-6.763816461633203
+C40364721_decoy,-7.7978682994387905
+C41074070_decoy,-6.457756640666478
+C44254623_decoy,-10.559561495940118
+C46920690_decoy,-4.344060619579672
+C50018017_decoy,-7.255604343060604
+C51088415_decoy,-6.000610271193485
+C58312931_decoy,99.0
+C66840063_decoy,-4.674875684141503
+C67262513_decoy,-4.586772171014697
+C13650689_decoy,-9.400072611387792
+C16136299_decoy,-6.774210200662072
+C17063787_decoy,-6.5229774287284
+C17189482_decoy,-3.753043725926431
+C26731591_decoy,-5.887125966476289
+C35464237_decoy,-6.867862859731578
+C36532538_decoy,-5.8718781037362735
+C38654165_decoy,99.0
+C41710697_decoy,-5.83199973960125
+C41957881_decoy,-8.617104599861056
+C44886133_decoy,-7.391915184567046
+C48758790_decoy,-6.764500935148171
+C51122028_decoy,-6.316561475168766
+C61323940_decoy,-7.133965324162243
+C61474904_decoy,-8.456281968260994
+C66715697_decoy,-6.407956516679986
+C04103875_decoy,-5.150864029108387
+C05812004_decoy,-6.198534240704404
+C19503692_decoy,-6.498411986818837
+C20831140_decoy,-7.436593421724273
+C27578820_decoy,-3.848866266599519
+C35368395_decoy,-7.202201329289513
+C37658420_decoy,99.0
+C39480955_decoy,-7.392720755935112
+C39915937_decoy,-6.7014220065600325
+C40348762_decoy,-6.542753191803775
+C48831931_decoy,-8.143960774516692
+C64764378_decoy,-5.000367604535027
+C67178518_decoy,-4.569119706084591
+CHEMBL56700_active,-9.762745317287354
+C02948995_decoy,-7.710140831400404
+C05215348_decoy,-5.748836573975559
+C05389749_decoy,-7.290573318768412
+C13945767_decoy,-5.748050338182286
+C14729886_decoy,-7.873084676462343
+C31421699_decoy,-5.034290606763178
+C36877670_decoy,-6.946281401280817
+C36983321_decoy,-8.872422599726486
+C38932911_decoy,-5.745900467479473
+C39747020_decoy,-9.4993839795651
+C41079688_decoy,-3.508118366925798
+C42052011_decoy,-6.054547633021708
+C45166169_decoy,-7.387161693536605
+C48673823_decoy,-4.600237384830709
+C50182824_decoy,-7.297149199695098
+C65747715_decoy,-4.670666761864938
+C66714184_decoy,-6.6302896579876585
+C03343504_decoy,-5.264084021492099
+C09214623_decoy,-8.000187618668427
+C13519108_decoy,-4.817875410831894
+C14642060_decoy,-4.970290187138811
+C19427053_decoy,-6.785793831561537
+C19850722_decoy,-5.756826802454045
+C21327546_decoy,-7.177741421616065
+C29056975_decoy,-3.996113409890515
+C35400337_decoy,-5.7640204561307335
+C40605000_decoy,-6.963535483233034
+C43590755_decoy,-9.034168098938798
+C44609261_decoy,-6.437626013419139
+C45144651_decoy,-6.613730505559659
+C47999719_decoy,99.0
+C57849393_decoy,-7.162120022149502
+C59886360_decoy,-6.162026344238161
+C61888184_decoy,-7.442288524312783
+C66200637_decoy,99.0
+C67144456_decoy,-5.174001384593376
+C04513760_decoy,-6.150792512941559
+C04629673_decoy,-6.355314089393665
+C11517341_decoy,-6.203958361765559
+C13020147_decoy,-5.838776040824464
+C15956242_decoy,-5.8063903004740265
+C17155865_decoy,-6.968640429826814
+C17196548_decoy,-5.299542394176947
+C20186329_decoy,-7.30227531746771
+C27008160_decoy,-7.146627177371421
+C37507168_decoy,-6.7459799340872415
+C37538893_decoy,-5.659262173629591
+C37681936_decoy,-7.732052933736571
+C38570745_decoy,-5.391873329727126
+C40758394_decoy,-2.1104972911342466
+C42924453_decoy,-7.481921887642616
+C43763994_decoy,-6.787313179581568
+C58865227_decoy,-7.98427245290568
+C66195027_decoy,-5.731300257019299
+C03984838_decoy,-7.3363008186156655
+C04673077_decoy,-6.142537553521238
+C05807737_decoy,-4.390817791301825
+C12296651_decoy,-6.563629978231594
+C15040517_decoy,-6.949088020972782
+C17175491_decoy,-6.183822400298529
+C22054403_decoy,-4.9161338297938775
+C26959567_decoy,-6.326152308640363
+C28249655_decoy,-4.774968821243694
+C36745294_decoy,-9.342121260376512
+C37542383_decoy,-7.215261278134506
+C38656208_decoy,-10.135498859036918
+C39940869_decoy,-6.565474895385578
+C40102104_decoy,-9.06355636766226
+C40338382_decoy,-6.087300650189411
+C44608678_decoy,-6.602081351376797
+C45088228_decoy,-7.832916561178097
+C48204450_decoy,-7.5320969396499935
+C48966215_decoy,-4.721953858636525
+C49597231_decoy,-6.572711717803835
+C50226021_decoy,-7.058378680365609
+C54550699_decoy,-6.6002325874684615
+C54737896_decoy,-6.7430035964029695
+C58231883_decoy,-8.032630413553358
+C60862081_decoy,-5.060207810956001
+C61374243_decoy,-8.164046078902198
+C67266478_decoy,-4.575761902779496
+C67629859_decoy,-7.443685904963849
+C02794084_decoy,-7.151168071202685
+C05664929_decoy,-5.828383931460171
+C06661136_decoy,-5.130551423494848
+C12428361_decoy,-4.2603043799371845
+C13548225_decoy,-6.060048935321126
+C15542292_decoy,-4.870545080918419
+C26800901_decoy,-8.299096322283441
+C29058560_decoy,-7.177807137834477
+C31166206_decoy,-5.582194800326933
+C32456716_decoy,-7.2423525288751796
+C35694150_decoy,-7.472257001267672
+C36257400_decoy,-7.884593231278332
+C36423964_decoy,99.0
+C39162246_decoy,-5.835152061669047
+C39734181_decoy,-7.357316652997527
+C40073260_decoy,-7.112353531432596
+C44168291_decoy,-6.6218636714058166
+C48661177_decoy,-6.776384501281024
+C49496736_decoy,-4.464261014665147
+C62823372_decoy,99.0
+C00568630_decoy,-6.992710502329677
+C04021972_decoy,-6.446485759224481
+C09120785_decoy,-5.744389601917352
+C10572814_decoy,-7.18302483847009
+C12296649_decoy,-7.501981967535205
+C13425162_decoy,-8.14530309355932
+C15848433_decoy,-6.635924456403825
+C17020724_decoy,-6.078804508278688
+C21804286_decoy,-6.253966930299448
+C23144634_decoy,-6.858928188395481
+C27904369_decoy,-7.069616821630803
+C35456835_decoy,-6.508131635937695
+C37411321_decoy,-7.123878927765802
+C38564671_decoy,-7.469840741183337
+C38571036_decoy,-6.45562557606835
+C38740206_decoy,-6.098789395574381
+C41037785_decoy,-8.878030808274083
+C43746781_decoy,-4.463104007928344
+C46609512_decoy,-9.494473464661151
+C50212855_decoy,-6.155877295669445
+C50397239_decoy,-6.775242357024518
+C50397270_decoy,-6.880871707282329
+C50468621_decoy,-8.272386511030554
+C61090571_decoy,-9.10309643254633
+C61581795_decoy,-7.039888684301744
+C61608381_decoy,-8.801769902255561
+C62441732_decoy,-4.420081908211626
+C63435229_decoy,-6.639087235852935
+CHEMBL320788_active,-9.024991956164037
+C04096936_decoy,-5.999605181814122
+C04945364_decoy,-7.244557429863997
+C09423611_decoy,-6.815991838136404
+C12252921_decoy,-6.278338360603468
+C23003369_decoy,-7.981574044507202
+C37672413_decoy,-7.092018661972669
+C38009002_decoy,-7.088761132187545
+C39362850_decoy,-7.049891199771282
+C40056938_decoy,-5.526002946434877
+C40759248_decoy,-4.798551115918981
+C40816752_decoy,-4.145805125668443
+C41105372_decoy,-5.565915074388011
+C50505409_decoy,-6.986111345201059
+CHEMBL167936_active,-6.086689024891969
+CHEMBL441790_active,-10.08605010711533
+C03067180_decoy,-5.791327212046517
+C05587264_decoy,-4.75115047532043
+C08652714_decoy,-6.702627254683423
+C08740504_decoy,-5.859948217927597
+C13198375_decoy,-6.905390333302971
+C13442607_decoy,-8.649230613525573
+C19624567_decoy,99.0
+C20246928_decoy,-8.581178198437016
+C20841576_decoy,-6.372165619354773
+C27079972_decoy,-6.382667121724766
+C35735248_decoy,-4.79598086605582
+C42479524_decoy,-7.114733924003722
+C43156173_decoy,-8.174069912413751
+C44441003_decoy,-4.950162558530865
+C48447359_decoy,-4.9057288792724565
+C55303184_decoy,-4.070564829583821
+C57263357_decoy,-4.99266092178335
+C60863173_decoy,-4.982633922594122
+C62833992_decoy,-5.784161334107391
+CHEMBL254884_active,-13.995840856136777
+C02583760_decoy,-5.283261567521403
+C04705723_decoy,99.0
+C04722791_decoy,-6.175765282667059
+C05479145_decoy,-6.214784364405211
+C09627806_decoy,-7.50924316038815
+C12603447_decoy,-7.415085457563115
+C12715204_decoy,-7.245423962531809
+C13034296_decoy,-8.181976357978762
+C13279307_decoy,-5.775334790897939
+C16400397_decoy,-7.373186105218963
+C16450123_decoy,-7.72546331038706
+C17221911_decoy,-6.545255224167246
+C21126176_decoy,-8.530114822545308
+C27642591_decoy,-8.365627352769751
+C32105756_decoy,-6.70707710995732
+C36746192_decoy,-7.408129213836028
+C36971730_decoy,-13.78229190986798
+C40683528_decoy,-4.700156880576164
+C44473575_decoy,-7.239114890799838
+C49079357_decoy,-11.594808361009049
+C54108819_decoy,-5.064401848795651
+C57945575_decoy,-6.085656250661147
+C61862686_decoy,-9.58851403757303
+C67013372_decoy,-6.122051925317931
+C67239664_decoy,-5.250395292188919
+C04719096_decoy,-3.812586095468632
+C04830780_decoy,-7.537384156611532
+C05758633_decoy,-8.028507374082006
+C08836062_decoy,-5.611335075045887
+C09125372_decoy,-6.542006838300542
+C13420955_decoy,-5.778806560327602
+C17380524_decoy,-5.61848859698422
+C20496850_decoy,-7.864964738538911
+C20725402_decoy,-6.938116811739868
+C22698590_decoy,-6.500872687170175
+C37642901_decoy,-8.53282594626291
+C38191974_decoy,-5.645210277816711
+C44170217_decoy,-3.400744821157568
+C49068048_decoy,-6.4717708969280165
+C51037626_decoy,-7.058320487407025
+C51334158_decoy,-6.676864293180076
+C52357747_decoy,-4.371614994851568
+C54109448_decoy,-9.957360651440938
+C54207744_decoy,-5.042763977540337
+C66098628_decoy,-6.104598039360757
+C66207309_decoy,-6.890986361540767
+C04195419_decoy,-6.878103645500752
+C06095031_decoy,-5.154677507135338
+C07418489_decoy,-7.781256583930568
+C09088879_decoy,-4.658883514495068
+C12888734_decoy,-4.859340274359491
+C15708012_decoy,-8.53117598545078
+C15909727_decoy,-7.507469442227944
+C17039327_decoy,-6.807336060658008
+C20556351_decoy,-6.548988073763043
+C38810643_decoy,-7.478061853367637
+C39777831_decoy,-5.465694680652308
+C42525456_decoy,-7.171140507740241
+C44749616_decoy,-5.698853919892175
+C44883033_decoy,-5.399290129916463
+C45085704_decoy,-10.196424482219292
+C50695197_decoy,-4.955927695295069
+C55850256_decoy,-5.261382123655217
+C57846435_decoy,-7.407994401819487
+C61962973_decoy,-6.759249268047553
+C63340388_decoy,-7.722421583179923
+C67103089_decoy,-5.484970032797176
+C67391486_decoy,-7.055625693734909
+C00156960_decoy,-4.073729943160281
+C05715062_decoy,-6.9947910284745545
+C13206131_decoy,-6.883219523111631
+C16157420_decoy,-6.774968649681989
+C17020151_decoy,-7.935930688463416
+C21953794_decoy,-5.0564665576340495
+C28563641_decoy,-7.074019446566669
+C35366580_decoy,-7.275731065063746
+C36778307_decoy,-6.854460601379793
+C37744333_decoy,-7.935455248459382
+C39558909_decoy,-6.536630705257637
+C40332039_decoy,-7.524387767401245
+C42012073_decoy,-7.685283355694648
+C43209249_decoy,-3.772987255757244
+C44124880_decoy,-6.348436239421333
+C46308623_decoy,99.0
+C48302470_decoy,-4.600247892862893
+C48759486_decoy,-6.895307325435447
+C49180885_decoy,-6.199729665597851
+C50377069_decoy,-10.99354917890577
+C51147718_decoy,-6.572889545488981
+C61091383_decoy,-7.524309057690399
+C63340185_decoy,-6.926276597944833
+C65415653_decoy,-4.340365678836415
+C09587515_decoy,-7.190883269978579
+C15900066_decoy,-5.152557384530732
+C16266706_decoy,-8.127682339864691
+C22404747_decoy,-6.353940744770308
+C22520370_decoy,-6.12958512439901
+C34106466_decoy,-5.7746625559186855
+C35406706_decoy,-10.026197341381128
+C36262621_decoy,-8.00089514260711
+C36733737_decoy,-7.689582050093231
+C38062480_decoy,-6.7809708299359785
+C38080049_decoy,-6.506460128329133
+C38793992_decoy,-6.702824268722759
+C42384801_decoy,-6.633241372075221
+C43511007_decoy,-7.124146956444271
+C44185569_decoy,-5.286971863906507
+C49079498_decoy,-4.880768155667669
+C49564473_decoy,-7.939707294031938
+C50194337_decoy,-4.834398445806452
+C52904477_decoy,-8.403775836209832
+C66241344_decoy,-5.358896364331183
+C66732129_decoy,-7.157275105603104
+C67196638_decoy,-11.331524949270277
+C67339697_decoy,-7.97550408963442
+C67388580_decoy,-9.117223503207711
+CHEMBL280383_active,-8.40903236974075
+C04939445_decoy,-5.184280329093069
+C05650259_decoy,-6.0044004857065865
+C10736811_decoy,-6.630778113485735
+C12406257_decoy,-5.517990188161414
+C13025118_decoy,-6.643817419077629
+C32933535_decoy,-7.079040536883898
+C35059086_decoy,-4.151049952522816
+C45011898_decoy,99.0
+C48000117_decoy,-7.41605522857442
+C58880843_decoy,-6.510519055097757
+C05913429_decoy,-7.337876733117204
+C07814515_decoy,-6.387404166683845
+C16069286_decoy,-6.625324895396206
+C16953193_decoy,-6.033797888298994
+C28295693_decoy,-8.742181294554635
+C37672359_decoy,-4.399680691654489
+C45154387_decoy,-8.39136621732551
+C49095819_decoy,-7.411480756300155
+C50102068_decoy,-6.562800226331493
+C58231808_decoy,-8.32161514408407
+C67464266_decoy,-7.433235547961598
+C00528283_decoy,-6.864557771695491
+C01748569_decoy,-7.164015733752047
+C08740170_decoy,-6.083814835381262
+C09734623_decoy,-6.443321694902857
+C13394297_decoy,-6.346533082960969
+C19221254_decoy,-6.327868730493852
+C20558613_decoy,-3.8458046492778912
+C20806455_decoy,-4.726056898824355
+C21316815_decoy,-5.513456379978631
+C26671210_decoy,-7.454376117446697
+C31169862_decoy,-9.22202943588171
+C37538951_decoy,-6.566009407072385
+C41034549_decoy,-6.692032689358032
+C42140085_decoy,-5.988122059264622
+C50031357_decoy,-8.956380872732364
+C50253945_decoy,-7.496424728344927
+C61607863_decoy,-9.46918697275162
+C05392857_decoy,-5.064747208480384
+C09970409_decoy,-6.973468840850375
+C13718966_decoy,-4.90980688533095
+C15048403_decoy,-6.409700611456895
+C15056658_decoy,-6.037534464754908
+C19221104_decoy,-6.307849564597363
+C25456073_decoy,-8.084235829052515
+C25671812_decoy,-5.722867440592771
+C29288265_decoy,-7.088221883866065
+C35456935_decoy,99.0
+C38653569_decoy,-5.701904160877401
+C44473563_decoy,-8.09380419115904
+C45818697_decoy,-6.343930841258112
+C49692558_decoy,-7.066697444411874
+C50004405_decoy,-6.724573592122086
+C51105840_decoy,-7.882060886091817
+C59378880_decoy,-5.401822391958142
+C66626075_decoy,-5.383898619740169
+C00519548_decoy,-3.970810452461928
+C01070096_decoy,-4.547257084091571
+C01958220_decoy,-6.140102364247424
+C10518297_decoy,-7.800562717840647
+C13237520_decoy,-8.341254866226759
+C13362519_decoy,-6.982328161073001
+C16662521_decoy,-5.508169496926828
+C21036212_decoy,-7.27708565094303
+C37660813_decoy,-4.411745590834645
+C38055125_decoy,-6.681005374367491
+C40347620_decoy,-7.017285432740286
+C40348887_decoy,-4.86486330151944
+C40794320_decoy,-6.933081960956324
+C42516733_decoy,-7.550296499615677
+C44236185_decoy,-8.051750899442354
+C45800072_decoy,-4.853014969874376
+C51124728_decoy,-5.307095216079079
+C63152209_decoy,-4.710599519713414
+C65205603_decoy,-7.635144897100634
+C66501482_decoy,-8.141499641942588
+C67200824_decoy,-6.130767313210288
+C02884531_decoy,-4.342839633255011
+C04817905_decoy,99.0
+C09975195_decoy,-5.733401788537925
+C11344205_decoy,-6.3606608111138
+C12340640_decoy,-6.23219943997863
+C13145845_decoy,-5.973366705742043
+C16905035_decoy,-12.746399685892651
+C19275867_decoy,-5.939075011495332
+C22259595_decoy,-7.420477787716408
+C38748417_decoy,-5.756102335602747
+C39224148_decoy,-5.903574816378088
+C40111209_decoy,-6.223097380350231
+C41385149_decoy,-8.895028780566536
+C43571704_decoy,-4.343308481121958
+C47340656_decoy,-7.550061936362767
+C49087601_decoy,-8.136904440886743
+C49180912_decoy,-6.000409733628315
+C49497715_decoy,-6.9069657944020175
+C61835279_decoy,-7.645629473098021
+C02040054_decoy,-6.073577931176509
+C06072593_decoy,-7.541847287842661
+C08575497_decoy,-5.452226288403448
+C11592778_decoy,-6.341175866141096
+C14332918_decoy,-6.766693102102115
+C16450548_decoy,-4.541956706212525
+C22628703_decoy,-7.628001167361371
+C25008140_decoy,-4.894031811592316
+C25407238_decoy,-6.169534299147975
+C29056838_decoy,-6.828515980832565
+C35271577_decoy,-5.701399756020401
+C35798056_decoy,-7.814605858335606
+C37559552_decoy,-6.543275310061814
+C39575962_decoy,-5.750709562506361
+C40099357_decoy,-6.1344186370743605
+C40172182_decoy,-6.7384257948962265
+C40736763_decoy,99.0
+C48490326_decoy,-4.71458202377593
+C50172029_decoy,-6.7163965848553815
+C50670962_decoy,-10.13478007563268
+C52808191_decoy,-13.070875594956757
+C58611214_decoy,-6.849132649852716
+C61808861_decoy,-7.775405081849875
+C64403626_decoy,-6.508911193912184
+C66952638_decoy,-6.276033115245833
+C67089290_decoy,-4.869568521138462
+C05600629_decoy,-5.979211156529787
+C05886998_decoy,-7.124156162277667
+C06565566_decoy,-3.937332232323689
+C11615942_decoy,-5.797718007117301
+C13260035_decoy,-5.8936581434423525
+C16385652_decoy,99.0
+C19790282_decoy,-7.00318476443088
+C31170366_decoy,-8.271837561624181
+C35358251_decoy,99.0
+C35599600_decoy,-7.1341851252625865
+C37024690_decoy,-7.13657345833787
+C37181655_decoy,-7.00233724695837
+C37240066_decoy,-7.675721156213058
+C39558611_decoy,-5.536702133249959
+C40584157_decoy,-8.66459317019005
+C42196158_decoy,-5.84391940093985
+C45665399_decoy,-7.00217722913942
+C49074626_decoy,-7.790458772609329
+C49539586_decoy,-7.401867546591061
+C50397195_decoy,-6.656815912829885
+C50707562_decoy,-6.79112684451218
+C51923529_decoy,-7.804858867211857
+C52015809_decoy,-8.968734075516371
+C56979715_decoy,-4.277720465506655
+C57603130_decoy,-11.103705694087331
+C58224505_decoy,-6.3364316036935735
+C59879250_decoy,-8.489150689025891
+C62859083_decoy,-10.058828905396778
+C66631401_decoy,-6.759513063526008
+C66860428_decoy,-8.143650505337458
+C02047788_decoy,-5.854093829091163
+C02433397_decoy,-6.853610635761607
+C04010854_decoy,-5.822542913513529
+C08636779_decoy,-6.199243038061088
+C18471576_decoy,-8.142834589159536
+C20841619_decoy,-6.290628351793748
+C35459157_decoy,-7.707999906324847
+C36262884_decoy,-8.434466030715534
+C36744617_decoy,-9.036803224812289
+C37268087_decoy,-6.370574015280125
+C40051075_decoy,-6.228127307707186
+C40336494_decoy,99.0
+C40750913_decoy,99.0
+C41016575_decoy,-6.056142177953703
+C44687894_decoy,-6.394462728665535
+C49084817_decoy,-4.495351673122198
+C54154272_decoy,-8.125226978623735
+C54156629_decoy,-7.303879559990132
+C54376603_decoy,-8.280723946389893
+C62832759_decoy,-4.314473661403032
+C63958909_decoy,-4.558985442250364
+C64220223_decoy,-5.148079214274064
+C03084950_decoy,-6.389182600716303
+C04010936_decoy,99.0
+C04464203_decoy,-6.142035250672466
+C05483192_decoy,-6.204276016303806
+C24506965_decoy,-7.268382676783021
+C37374735_decoy,-4.454614481998652
+C39915830_decoy,-6.219198464210651
+C40541469_decoy,-6.419366796219331
+C40687086_decoy,-4.866007389135233
+C42305166_decoy,-9.251254602055386
+C42435052_decoy,-8.780452402886677
+C42503536_decoy,-8.292287705761831
+C43465398_decoy,-5.439702478866687
+C50389000_decoy,-4.297547481870832
+C55470798_decoy,-7.171892427473556
+C57630625_decoy,-8.832197722740364
+C59017713_decoy,-6.475705453918065
+C61324121_decoy,-4.757809421667241
+C61807493_decoy,-6.932636086972007
+C64411377_decoy,-6.442984455317208
+C64610470_decoy,-6.081980284153407
+C66626093_decoy,-4.696219267593789
+C03871711_decoy,-4.586964500859563
+C04770631_decoy,-5.085802923091589
+C09694459_decoy,-5.80547238991825
+C13245209_decoy,-7.724556385327803
+C17258471_decoy,-4.285728042897185
+C25262165_decoy,-7.043445192833245
+C31160232_decoy,-6.035260980451604
+C38009013_decoy,-9.183195222520473
+C38009074_decoy,-7.547615850049301
+C40686666_decoy,-6.105624493989832
+C40880628_decoy,-5.6301492708768
+C41427297_decoy,-4.891244292879642
+C43396392_decoy,-8.4221735934665
+C43769480_decoy,-7.008449384293753
+C44932439_decoy,-5.04539615111441
+C45730687_decoy,-7.641009947272456
+C49017850_decoy,-5.890253049257898
+C49527038_decoy,-4.480788563081553
+C51638279_decoy,-8.0608337989929
+C56604371_decoy,-7.359301583524755
+C60526443_decoy,-6.123844432037266
+C61320260_decoy,-4.677324976034583
+C62215889_decoy,-6.443757765489304
+C02917977_decoy,-6.281542620874051
+C06397822_decoy,99.0
+C15230046_decoy,-5.976360586992362
+C15912856_decoy,-6.588141414275412
+C31157928_decoy,-5.356010210187288
+C36809129_decoy,-6.4717284647343165
+C37736740_decoy,-8.163293198964924
+C40120460_decoy,-5.733506393623052
+C45771691_decoy,-5.557907577057315
+C50397942_decoy,-7.132863374023514
+C61632473_decoy,-6.326480209100946
+C61808071_decoy,-7.553806805152762
+C61887336_decoy,-7.39608249639483
+C64447616_decoy,-4.7967211020749545
+CHEMBL183817_active,-7.772932692432397
+C01689527_decoy,-6.056751340752686
+C01743875_decoy,-8.630110901363178
+C03794575_decoy,-5.381496961478006
+C08844956_decoy,-6.389777007563835
+C13135556_decoy,-5.81291365543339
+C13407912_decoy,-7.585011004257728
+C16952233_decoy,-5.361307711251203
+C20922124_decoy,-6.5832891806015095
+C34320365_decoy,-9.44267247617606
+C37730755_decoy,-6.427739964041149
+C40172212_decoy,-6.037023570143863
+C41275824_decoy,-4.523039258702144
+C44864659_decoy,-7.685505528343147
+C48003169_decoy,-7.292372279864383
+C48380213_decoy,99.0
+C50656391_decoy,-8.152561402539515
+C52763899_decoy,-8.35093201205522
+C57213027_decoy,-3.924334052671183
+C59268785_decoy,-5.67656786852607
+C63660402_decoy,-5.809562250871215
+C64099179_decoy,-7.664945485626137
+C66051617_decoy,-4.624114380110052
+C67104266_decoy,-7.632871102337055
+C67269625_decoy,-6.230134347354865
+CHEMBL278874_active,-10.077690335551637
+C01574148_decoy,-6.967852959762331
+C04705734_decoy,-6.555926332504775
+C06150376_decoy,-5.528186111628267
+C12613557_decoy,-7.166951007928373
+C12998743_decoy,-8.996189443255188
+C13237671_decoy,-4.449566073153283
+C13959605_decoy,-6.324141238493064
+C15205979_decoy,-4.997126465888256
+C36733367_decoy,-8.962024838191248
+C37557468_decoy,-7.204773889456653
+C39210710_decoy,-5.189287935799395
+C40568966_decoy,-4.500141162020763
+C40782255_decoy,-6.684118954672397
+C43345275_decoy,-7.294105726622371
+C43743430_decoy,-8.559277971567766
+C46920963_decoy,-6.562984827563329
+C49096010_decoy,-6.428264610333328
+C51637301_decoy,-7.364595096066512
+C55403239_decoy,-6.547427505834228
+C55404335_decoy,-6.915681782620584
+C59019799_decoy,-4.491629900115541
+C66872481_decoy,-7.606618046505013
+C67130761_decoy,-7.170076296399104
+C02539735_decoy,-4.872031699378181
+C09042232_decoy,-5.5864271653824105
+C13394222_decoy,-5.161088098405966
+C17108203_decoy,-5.182234589288754
+C34785772_decoy,-6.779823405402944
+C36025327_decoy,-5.25225583590541
+C36760535_decoy,-6.038284004246626
+C37538906_decoy,-5.864604405947099
+C39224100_decoy,-5.332180327934536
+C39935909_decoy,-6.506600602160079
+C40087162_decoy,-4.988590176343493
+C41037719_decoy,-7.221890131034525
+C42500479_decoy,-7.870255432791222
+C45528121_decoy,-3.8638071476472615
+C49548252_decoy,-8.962874854447591
+C63161542_decoy,-5.536734740543743
+C66617994_decoy,-6.189321393973998
+C67305738_decoy,-4.554484634838238
+CHEMBL81777_active,-8.319500180548424
+C01674441_decoy,-6.823617300484477
+C02024313_decoy,-6.509178487468806
+C02707486_decoy,-8.49896274399102
+C11905424_decoy,-6.812088177242686
+C13763431_decoy,-7.492621031095434
+C20834557_decoy,-7.039577203801629
+C21136844_decoy,-6.448775767792283
+C31492784_decoy,-8.288145944604699
+C33518034_decoy,-4.886393549321751
+C35358249_decoy,-7.957188749583567
+C38008785_decoy,-8.616823720904383
+C39880327_decoy,-7.273035599438066
+C42358969_decoy,-7.50668805151525
+C46898865_decoy,-6.678206145234024
+C49413460_decoy,-5.968544931444211
+C49413647_decoy,-5.513523256270343
+C50265596_decoy,-7.962244894365196
+C50392981_decoy,-7.62162723490906
+C59879188_decoy,-6.119057902755681
+C08877257_decoy,-6.110644642143985
+C12950298_decoy,-6.177118602701678
+C17001446_decoy,-5.441189365808622
+C36227254_decoy,-6.895480313204847
+C37456956_decoy,-4.538056750301264
+C37538901_decoy,-6.23471710818259
+C37658384_decoy,-6.874144023321595
+C38924769_decoy,-6.723041242253573
+C39940870_decoy,-6.686404077680105
+C50136674_decoy,-6.198609486042972
+C53417576_decoy,-6.938446268566181
+C61551958_decoy,99.0
+C62104926_decoy,-6.431685969667212
+C62832583_decoy,-4.314332058791295
+C65310480_decoy,-6.203924393003799
+C05134061_decoy,-8.044864928925122
+C05217655_decoy,-4.583195636235398
+C05844540_decoy,-5.424768119473471
+C06404087_decoy,-6.019199202302474
+C09634918_decoy,-6.498254237843129
+C12350107_decoy,-7.575330461762796
+C12490754_decoy,-5.285224724443597
+C19987295_decoy,-7.607940377730864
+C21770038_decoy,-6.576598175168297
+C22066668_decoy,-6.9903784228547865
+C24085170_decoy,-6.8947910575865885
+C32103597_decoy,-7.558357264805628
+C36744933_decoy,99.0
+C36746702_decoy,-7.77533963168302
+C38008943_decoy,-7.866894639840246
+C40685670_decoy,-4.41307039950711
+C44258028_decoy,-6.929019566198607
+C44544939_decoy,-5.4384409310055695
+C45138686_decoy,-8.67969991955518
+C46042508_decoy,-5.761493062528432
+C49180891_decoy,-5.689499771119056
+C50917690_decoy,-8.633480492791652
+C59942384_decoy,-7.452566008008692
+C62351679_decoy,-7.472456589891359
+C62859652_decoy,-6.769493647117799
+C64428766_decoy,-7.06726061632435
+C66222265_decoy,-6.349927544234496
+C66608438_decoy,-6.919828504979098
+C66639473_decoy,-7.146530399663635
+C66759595_decoy,-4.629831757281598
+CHEMBL294169_active,-6.440688407951392
+C04135559_decoy,-7.482078117061487
+C13236978_decoy,-6.011535272274164
+C13442601_decoy,-8.18628552143168
+C13881919_decoy,-6.774453116121501
+C15040219_decoy,-6.168946701378913
+C20338233_decoy,-5.366125201608284
+C20591963_decoy,-5.911722149879293
+C33634387_decoy,-6.228768029916735
+C35185490_decoy,-3.901632313962536
+C37559110_decoy,-7.302887570077641
+C38915308_decoy,-6.065220545904373
+C39916032_decoy,-6.668652462860319
+C40116614_decoy,-6.782939994466016
+C40829479_decoy,-7.043012930209257
+C41962118_decoy,-8.235808016381842
+C44882758_decoy,-7.046783798743728
+C45583480_decoy,-7.688829163587742
+C50015302_decoy,-6.535817266900293
+C54381441_decoy,99.0
+C61343398_decoy,-6.724150292891207
+C65193279_decoy,-6.147102962953895
+C65623235_decoy,-6.722710796208365
+C01074260_decoy,-7.0214209716838765
+C01238337_decoy,-6.2068254890146815
+C01645720_decoy,99.0
+C02587616_decoy,-4.829715430676816
+C05811546_decoy,-5.816775675725895
+C09594195_decoy,-7.367062800828569
+C16968729_decoy,-4.879196909067454
+C24506975_decoy,-6.901260770933231
+C33026922_decoy,-8.42527452023104
+C35599622_decoy,-6.890195190410554
+C37274085_decoy,-6.006748709598499
+C40861909_decoy,-7.017388576371621
+C43588649_decoy,-7.164657477986307
+C44933122_decoy,-7.043485102844737
+C49355233_decoy,-5.9207415998673
+C54812054_decoy,-6.700126496782208
+C67310802_decoy,-6.811502843497313
+C01642661_decoy,-6.529430099592612
+C01691568_decoy,-8.644398012422283
+C02479405_decoy,-6.611727378824662
+C03635929_decoy,-6.122137350258215
+C04520604_decoy,-5.8758045481849335
+C09915783_decoy,-6.412147781626182
+C13193205_decoy,-7.950737969547552
+C20527524_decoy,-6.58495496744307
+C24016765_decoy,-7.314914464032927
+C32449271_decoy,-5.843179990953822
+C32611779_decoy,-5.1107903888189705
+C35644440_decoy,-6.859199783839742
+C36864010_decoy,-7.309684873670112
+C37367494_decoy,-8.931589652328105
+C39361538_decoy,-6.356338094330721
+C41033940_decoy,-8.319025168155603
+C43395230_decoy,-6.507680977778815
+C48961916_decoy,-6.318062154615675
+C54737377_decoy,-8.505350981646307
+C55305367_decoy,99.0
+C67178648_decoy,-7.516480361779483
+C03653422_decoy,-6.266525080379785
+C04536566_decoy,-4.1553947719813324
+C08347959_decoy,-6.440812523749995
+C09113121_decoy,-6.422435271263527
+C11691482_decoy,-6.3874877756240425
+C13025317_decoy,-5.655835973615623
+C13450318_decoy,-7.917521909406904
+C16021954_decoy,-5.296235065195745
+C16025175_decoy,-5.630286288486471
+C21078195_decoy,-5.739631163768926
+C37660484_decoy,-8.09729783110175
+C39945657_decoy,-10.002111261251496
+C40380812_decoy,-6.911250901415222
+C40819054_decoy,-5.219622522541403
+C41131085_decoy,-8.010332152071529
+C42874691_decoy,-6.30678254004331
+C50670951_decoy,-6.932103359083989
+C53285050_decoy,99.0
+C58687701_decoy,-7.600332944807658
+C63314614_decoy,-5.860916578579875
+C65146332_decoy,-4.4180460916235855
+C65621588_decoy,-6.01592748134461
+C66153946_decoy,-5.43240198933659
+CHEMBL51955_active,-8.423335658127233
+C04103873_decoy,-4.988827094697659
+C05181058_decoy,-6.576889328557656
+C06015145_decoy,-8.492468286639264
+C07177623_decoy,-5.579794298149864
+C17020160_decoy,-4.682976497636397
+C21047169_decoy,-6.4595528683579095
+C21958409_decoy,-6.65176258837523
+C25387184_decoy,-5.711621982350611
+C35098665_decoy,-6.042852768913767
+C35651796_decoy,-6.271101579833531
+C35797304_decoy,-4.895303525927737
+C36888055_decoy,-6.232920999597017
+C38718091_decoy,99.0
+C39224157_decoy,-5.540709674084421
+C39940632_decoy,-5.652931180776834
+C40172183_decoy,-6.187887535409138
+C41697863_decoy,-5.856118904485146
+C42806501_decoy,-6.605030579426166
+C48706869_decoy,-7.068279456276159
+C49128261_decoy,-7.0215136095487525
+C49793829_decoy,99.0
+C63436577_decoy,-6.126915069728641
+C67103087_decoy,-7.327645326785843
+C01508649_decoy,-4.959656645443503
+C05009274_decoy,-3.0485167949717957
+C05041552_decoy,-8.66782620564699
+C05540623_decoy,-4.768583852404938
+C08824661_decoy,-6.381966505664814
+C13720825_decoy,-6.357573894374802
+C14074851_decoy,-6.872477273278659
+C22977599_decoy,-7.820365839553737
+C35428282_decoy,-5.801552025076434
+C37407274_decoy,-12.342875688727664
+C38008814_decoy,-7.384762710048054
+C41069858_decoy,99.0
+C41094197_decoy,-7.713772431446929
+C45548967_decoy,-7.735214682584305
+C49946775_decoy,-5.320042758966879
+C51118794_decoy,-4.854191058403729
+C57531452_decoy,-7.9100485222760835
+C58237166_decoy,-6.634418195390911
+C60321969_decoy,-3.298760238761903
+C61079860_decoy,99.0
+C61718277_decoy,-10.633326997444415
+C01691662_decoy,-5.620830347177934
+C01720019_decoy,-5.84375796181318
+C01800927_decoy,-6.225341216034849
+C03428474_decoy,-6.797710709031281
+C05547039_decoy,-5.17082846459759
+C12660111_decoy,-6.048129859380876
+C14161085_decoy,-6.48989166817177
+C16948658_decoy,-5.47100515948455
+C17045290_decoy,-6.064921564097715
+C20301845_decoy,-8.357821482615783
+C27323560_decoy,-8.033309150221013
+C32102312_decoy,-6.000818381639563
+C39937111_decoy,-7.127419630785543
+C42272675_decoy,-8.97960640320808
+C42482532_decoy,-4.250880605147736
+C43410860_decoy,-9.39444442006321
+C45625929_decoy,-4.548889796572165
+C47962800_decoy,-6.448015920024844
+C49087828_decoy,-7.542821644123558
+C54155976_decoy,-8.5988142518159
+C63345466_decoy,-7.701666579943825
+C63529385_decoy,-5.23333361775523
+C64220232_decoy,-9.151953555705512
+C65055369_decoy,-6.45555004357991
+C65623114_decoy,-6.69550982627958
+C67125849_decoy,-7.853653026012495
+C03672559_decoy,-6.475735093359792
+C12428364_decoy,99.0
+C15040715_decoy,-5.832678021616102
+C20833364_decoy,-6.575702380709705
+C31156641_decoy,-5.755463655617229
+C36861675_decoy,-6.450149163122964
+C37456391_decoy,-8.228363247142418
+C37636736_decoy,-7.10097301507436
+C40081353_decoy,-6.422944527240671
+C41121591_decoy,-5.930609392570771
+C45094537_decoy,-7.59809533597724
+C45111980_decoy,-7.214054945065587
+C47652761_decoy,-5.83674839721064
+C51093789_decoy,-4.901092537634899
+C55682378_decoy,-6.063339182330333
+C57443775_decoy,-7.647538085047349
+C58916196_decoy,-6.112424039720312
+C59039826_decoy,-7.964319611436585
+C61079508_decoy,-6.65868062222174
+C61713789_decoy,-6.807912670905448
+C61805792_decoy,-7.604057618781287
+C61887325_decoy,-7.781459951658442
+C62213323_decoy,-6.099718846413287
+C62778485_decoy,-2.924079569183607
+C66089971_decoy,-5.751949397540477
+C03317694_decoy,-5.921797839384551
+C09452651_decoy,-3.889090988621902
+C11239750_decoy,-6.698953956425576
+C13032366_decoy,-6.542983817853069
+C15913477_decoy,-6.2318178078852045
+C15953743_decoy,-6.139181664552027
+C36575512_decoy,-5.692271591510401
+C39440514_decoy,-4.7657183133213925
+C40055328_decoy,-5.987900664539575
+C41119182_decoy,-7.342714794513876
+C41186013_decoy,-6.294829142753161
+C42560517_decoy,-8.09831319532208
+C45111936_decoy,-7.60579082917465
+C45919369_decoy,-8.716642188958595
+C49422704_decoy,-5.467452890616288
+C50397228_decoy,-6.411386981262762
+C66276995_decoy,-7.947203792782557
+C00207607_decoy,-5.691093922155994
+C03051908_decoy,-6.936338286955278
+C04399987_decoy,-6.235508051241324
+C06167097_decoy,-5.758596723865608
+C17206267_decoy,99.0
+C33931425_decoy,99.0
+C37456669_decoy,-7.852900496463998
+C37465302_decoy,-9.115225974963789
+C40007679_decoy,-6.587173120253445
+C40119400_decoy,-5.01459532692889
+C40779461_decoy,-4.78485405177833
+C44473650_decoy,99.0
+C45772792_decoy,-6.150544588011018
+C46670303_decoy,-6.025037464918434
+C49147427_decoy,-7.871622446330781
+C50288422_decoy,-6.0250816804549405
+C50603925_decoy,-7.180343696879346
+C52066238_decoy,-10.710957980714252
+C59368856_decoy,-6.620576465381558
+C63215732_decoy,-5.772478599473375
+C63587359_decoy,-6.012860266955308
+C67239608_decoy,-5.546895380200114
+C03873802_decoy,-5.5675468667556
+C04010855_decoy,-5.445206242125859
+C04830581_decoy,-6.392198427603655
+C05998227_decoy,-5.998882903192098
+C06211789_decoy,-5.648641226848115
+C09915710_decoy,-6.903602702147891
+C12654281_decoy,-7.7166151383612975
+C21621673_decoy,-6.74197701525507
+C24977010_decoy,-7.066295720733224
+C29351736_decoy,-5.604855636239722
+C35358556_decoy,99.0
+C37732094_decoy,-6.490274739473932
+C40757501_decoy,-4.341864031659376
+C42782234_decoy,-7.849812868428714
+C43592483_decoy,99.0
+C44934697_decoy,-7.999858519170213
+C46919901_decoy,-5.440851703585048
+C50397984_decoy,-8.585303819325123
+C50949245_decoy,-8.508746186072683
+C51093993_decoy,-4.38750416266911
+C51327364_decoy,-6.046189185717722
+C51615109_decoy,-6.596910837054983
+C56159689_decoy,-6.737005066780243
+C61887338_decoy,-7.385575710916506
+C62383535_decoy,-7.821089719035138
+C62430996_decoy,-7.0785477577631255
+C63327482_decoy,-6.8354985967325295
+CHEMBL253410_active,-12.26759154250152
+C02106510_decoy,-5.698647711694946
+C03219984_decoy,-6.945499176432497
+C05063771_decoy,-3.2883092658130564
+C08704359_decoy,99.0
+C09466729_decoy,-7.997787590894166
+C13783923_decoy,-5.9592268326410025
+C16996483_decoy,-3.5614528635870077
+C18077321_decoy,-6.448275056129805
+C35203240_decoy,-8.903800352266531
+C36190914_decoy,-6.524193121837
+C37628636_decoy,-4.307901221814978
+C37744334_decoy,-7.44809840587369
+C40349003_decoy,-6.789593687387117
+C40481300_decoy,-7.813375183766232
+C42193861_decoy,-4.601932844137365
+C42477692_decoy,-4.786903511144958
+C42526599_decoy,-7.046091176175753
+C44928368_decoy,-8.302572061303405
+C49017454_decoy,-7.94657707098697
+C49543864_decoy,-5.544702419799881
+C52094745_decoy,-7.918906803845063
+C54074347_decoy,-9.500943814498536
+C62306421_decoy,-8.488273450250603
+C63598723_decoy,-7.545968835038999
+C63778109_decoy,-4.688792517380078
+C64337693_decoy,-5.718738664597803
+C00074898_decoy,-4.763598850060346
+C03441198_decoy,-7.252081156792856
+C04270318_decoy,-6.191331352707687
+C05027405_decoy,-5.917684036131868
+C08738349_decoy,-6.908623156434844
+C16905770_decoy,-4.776075577953484
+C17020830_decoy,-5.434824140158082
+C20922724_decoy,-4.9216614164658194
+C27229842_decoy,-8.211266358975184
+C28449302_decoy,-6.035411371287278
+C37131045_decoy,-7.370523659596713
+C37556088_decoy,-8.865866539680656
+C37717577_decoy,-6.726105100807255
+C38990088_decoy,-5.589097635352864
+C40378318_decoy,-5.921324758707039
+C41036701_decoy,-7.051328509656108
+C45666454_decoy,-8.191363943313666
+C48591486_decoy,-6.673203946217723
+C50324372_decoy,-4.663477066361778
+C50397281_decoy,-6.268066185809038
+C61810256_decoy,-8.093568554594988
+C64940771_decoy,-5.90619323134278
+C05707513_decoy,-6.107814041038456
+C13545525_decoy,-5.0445369830852185
+C13565931_decoy,-6.212391247645638
+C15957809_decoy,-7.16730680540083
+C21804367_decoy,-6.389088442249445
+C22576983_decoy,-6.25656083671934
+C37559219_decoy,-9.889549525563394
+C42789578_decoy,-7.53625641364469
+C43553872_decoy,99.0
+C44367967_decoy,-6.382903758545821
+C49441931_decoy,-6.509454221825238
+C51017976_decoy,-6.180788704728917
+C51124979_decoy,-3.888195733290353
+C61860559_decoy,-4.557643981337193
+C62384191_decoy,-6.725478100716354
+C62898163_decoy,-9.01501129299313
+CHEMBL195871_active,-9.951722435797487
+C12296891_decoy,-6.212515686510281
+C13116565_decoy,-4.7135947505253855
+C15774985_decoy,-5.812500275090488
+C16185254_decoy,-7.631347160281259
+C16267004_decoy,-7.454443019184649
+C21199869_decoy,-5.659120971837655
+C26109371_decoy,-6.098572182803739
+C33887920_decoy,-5.86606156144135
+C36228013_decoy,-6.721129908622439
+C39776657_decoy,-5.05930424242445
+C40154804_decoy,-5.0417279067007685
+C40315826_decoy,-5.953858735806364
+C40760426_decoy,-5.64793149364897
+C40951966_decoy,-6.651719936930792
+C47688729_decoy,-6.425363960192634
+C49110884_decoy,-4.854524478347782
+C50226015_decoy,-7.569093113523033
+C51093131_decoy,-5.461802484785405
+C61544743_decoy,-6.369123192701232
+C62858205_decoy,-9.989069732910115
+C67504178_decoy,-7.744740558376432
+CHEMBL81717_active,-9.029701730208927
+C01646789_decoy,-3.787521362375299
+C03091419_decoy,-9.483587627625848
+C04513757_decoy,-5.829464876794963
+C09489435_decoy,-5.0563150932072585
+C16553866_decoy,-10.0676832470088
+C18806007_decoy,-5.416898549802883
+C18995526_decoy,-0.2049850897889381
+C20405566_decoy,-5.456692698022038
+C29134077_decoy,-6.273343027260229
+C40479560_decoy,-9.07719770651648
+C41070097_decoy,-7.257027590469329
+C42139523_decoy,-3.66870559913564
+C44927455_decoy,-6.066453714165284
+C44934182_decoy,-8.16109742554719
+C48078163_decoy,-6.553166780923523
+C49079365_decoy,-7.707936416690827
+C49080555_decoy,-8.210861706833969
+C49539455_decoy,-8.493812625463773
+C51067671_decoy,-11.08180885318852
+C52712655_decoy,-5.232768057442037
+C53736088_decoy,-7.1293450973448085
+C59171414_decoy,-5.562359873668806
+C64080294_decoy,-6.650750524557154
+C64348087_decoy,-6.600597482247333
+C06119307_decoy,-9.229113543405171
+C10000200_decoy,-5.406823458941869
+C17120425_decoy,-4.362985623058857
+C21035219_decoy,-5.994298988940376
+C21326604_decoy,-6.227114829699077
+C22055418_decoy,-8.149941536516117
+C22603487_decoy,-5.078170570988618
+C23357145_decoy,-4.524218440944595
+C25243327_decoy,-6.9012214365494335
+C31963104_decoy,-5.262496749375107
+C37246741_decoy,-6.119259067642928
+C39361580_decoy,-5.975532892885279
+C39679869_decoy,-7.642134287591897
+C41036629_decoy,-7.403926366516655
+C48908727_decoy,-7.067872760684587
+C50604135_decoy,-9.152347938266118
+C52760242_decoy,-6.548698516629365
+C61808174_decoy,-6.490201588433961
+C62520204_decoy,-8.08776708445182
+C62812222_decoy,-7.826897487792926
+C62898172_decoy,-8.241688508183033
+C65147517_decoy,-4.169462610075214
+C02810311_decoy,-6.167278978331972
+C03601932_decoy,-7.221597790145824
+C04429540_decoy,-6.722109192654636
+C13393514_decoy,-6.700122760704788
+C15017056_decoy,-5.924953418475681
+C15956023_decoy,-5.824420037985902
+C16554024_decoy,-7.0278652721910095
+C36339131_decoy,99.0
+C37671367_decoy,-4.140466249672753
+C38665082_decoy,-4.665361657414902
+C39880554_decoy,-6.600401625828351
+C42195655_decoy,-6.232936113017602
+C42198384_decoy,-8.918043993280698
+C43218138_decoy,-6.105798949885439
+C46652577_decoy,-5.346066850052186
+C48033867_decoy,-6.202834249521827
+C48579856_decoy,-6.697603754711808
+C48591570_decoy,-4.552230487890206
+C52853905_decoy,-7.787101035777433
+C52924944_decoy,-8.110769945184058
+C55678604_decoy,-6.807586183747766
+C60878902_decoy,-7.072718129789731
+C61860138_decoy,-7.345155561911346
+C62898207_decoy,-8.648381940559993
+C66342108_decoy,-5.100286363102879
+C66582545_decoy,-5.233250809650778
+C67408820_decoy,-8.83737705515141
+C02158148_decoy,-6.407438312987583
+C03775763_decoy,-6.09413543359564
+C13544319_decoy,-4.230825660769798
+C16957472_decoy,-6.309821414656058
+C19384872_decoy,-8.888284119392035
+C21036319_decoy,-5.938815930910369
+C37559131_decoy,-7.618060488395467
+C37700620_decoy,-7.263095213111381
+C48775295_decoy,-7.246108863630647
+C49519359_decoy,-7.100651692101824
+C49554768_decoy,-6.881247566225803
+C49932233_decoy,-6.18026195040263
+C50395887_decoy,-6.265028051656344
+C50602227_decoy,-6.560173656124528
+C54154557_decoy,-7.219694132398731
+C60318285_decoy,-7.603655126649942
+C64512244_decoy,99.0
+C66672137_decoy,-5.485980139906492
+C66701469_decoy,-6.596554985575036
+CHEMBL163966_active,-7.259312935254505
+C04028531_decoy,-5.022131803346818
+C12998077_decoy,-8.211457054200373
+C13810798_decoy,-5.265487578361735
+C15913583_decoy,-5.42423027756396
+C17174204_decoy,-7.956951344788096
+C20074074_decoy,-5.3424928416963535
+C22210268_decoy,-6.803214454414218
+C24123471_decoy,-5.82832107792005
+C32999708_decoy,-7.352081387941154
+C37730301_decoy,-6.777621376494715
+C37730516_decoy,-7.189350779098614
+C38786944_decoy1,-6.157518832620542
+C40686916_decoy,-5.705546381610515
+C48444090_decoy,-6.792736364103916
+C61455333_decoy,-6.318144795832111
+C62206635_decoy,-5.67389582467823
+C02712782_decoy,-6.430902502023545
+C03844920_decoy,-5.455137746369074
+C13221881_decoy,-5.905679650766799
+C14137270_decoy,-5.129432065926892
+C14435808_decoy,-7.0485523306339415
+C15156204_decoy,-7.100263436270565
+C16886377_decoy,-4.300862924298975
+C19987811_decoy,-7.576496087262837
+C21247885_decoy,-5.321804531037452
+C25442203_decoy,-7.51705211025626
+C28563644_decoy,-6.742953850008111
+C31492209_decoy,-6.692969815768588
+C35564992_decoy,-5.252274911740534
+C35609562_decoy,-3.896867154096881
+C40701398_decoy,-7.174034430792446
+C45089410_decoy,-7.427421396661294
+C45089960_decoy,-7.357744975323368
+C47088438_decoy,-6.495514363404703
+C47124847_decoy,-5.831528718192581
+C50657203_decoy,-4.888246626986534
+C55631917_decoy,-6.373359301572154
+C63197168_decoy,-5.373981900421508
+C01582853_decoy,-3.960755508914388
+C03066976_decoy,-7.186829535105295
+C04556833_decoy,-5.343475637915187
+C08685847_decoy,-4.608751707886958
+C13960031_decoy,-6.852875142952485
+C16545150_decoy,-5.240693894185344
+C20922434_decoy,-7.867644257971195
+C25177162_decoy,-7.277598460790956
+C25407204_decoy,-7.178077603501735
+C34758456_decoy,-5.324013718719729
+C34925104_decoy,-6.356486400428033
+C40347302_decoy,-6.585442969578592
+C44253684_decoy,-6.349687939877571
+C44837824_decoy,-7.998675760976972
+C48809782_decoy,-9.626853574755806
+C48950632_decoy,-5.691323786710052
+C49101832_decoy,-8.205167236412883
+C49310380_decoy,-8.619823441192619
+C50705420_decoy,-6.893850093069577
+C52925014_decoy,-7.832640484304957
+C53527349_decoy,-5.79519937028007
+C56188508_decoy,-5.466297982568168
+C57842314_decoy,-4.585680419622131
+C61650896_decoy,99.0
+C65201736_decoy,-6.270331997380902
+C00485477_decoy,-4.726347444055948
+C03897418_decoy,-5.718942526421135
+C04521935_decoy,-6.102897286470295
+C05759551_decoy,-3.6723020363397634
+C08652673_decoy,-5.81404896309887
+C13193346_decoy,-5.682842032172331
+C13367013_decoy,-7.077709109614275
+C15912842_decoy,-6.918275173368333
+C20623759_decoy,-6.272746707400353
+C31120137_decoy,-7.097506794315334
+C35367200_decoy,-8.737590301997667
+C40667838_decoy,-8.757927806679227
+C41427581_decoy,-6.259575270444224
+C46963747_decoy,-6.881272700133271
+C47234595_decoy,-6.763256805491441
+C48587883_decoy,-4.294104209679917
+C54134525_decoy,-7.325709076399457
+C55385507_decoy,-4.368871683234175
+C61150904_decoy,-7.184548009574987
+C61717500_decoy,-6.608572890432644
+C61805533_decoy,-11.179189517136397
+C62834331_decoy,-6.626143810384123
+C03474247_decoy,-5.294044894705892
+C08775438_decoy,-5.818043326181076
+C12879626_decoy,-7.056977817479124
+C13018525_decoy,-7.142182501223787
+C21026934_decoy,-7.296050646919141
+C26577785_decoy,-7.682938647116869
+C32796286_decoy,-6.518145283450284
+C39098275_decoy,-6.14618423391589
+C40481795_decoy,-7.452418477570144
+C40794034_decoy,-4.179198366641751
+C41031353_decoy,-6.7749074873773845
+C43590742_decoy,-6.349600979919863
+C46028223_decoy,-7.62498576242723
+C46711154_decoy,-6.265325295092452
+C48676137_decoy,-6.245381200679793
+C52125945_decoy,-7.312144411703516
+C58227062_decoy,-6.026940110059631
+C59730027_decoy,-5.502965999896648
+C62123940_decoy,-6.59463092706221
+C62521068_decoy,-5.964238316852688
+C66683012_decoy,-6.831971258237798
+CHEMBL1229_active,-8.744485258630185
+C13393808_decoy,-6.080358637330649
+C15036771_decoy,-7.916381843340108
+C22060216_decoy,-7.576371703220921
+C22063759_decoy,-4.446996922533932
+C33925229_decoy,-5.250303305068505
+C36556667_decoy,-3.758332481264665
+C36922770_decoy,-6.365862375208071
+C37538198_decoy,-6.146416856004244
+C37660857_decoy,-7.442968449467853
+C39886305_decoy,-4.714652942529226
+C43743552_decoy,-7.030298426370831
+C44611289_decoy,-7.490139305714105
+C46767672_decoy,-3.876999841713907
+C48768063_decoy,-5.141614839146884
+C50059251_decoy,-5.641934626538901
+C50368314_decoy,-8.954867103543538
+C51574994_decoy,-6.03395040547591
+C51575364_decoy,-5.535247679618264
+C55631412_decoy,-6.677337347233715
+C63155025_decoy,99.0
+C66427449_decoy,-6.148674439804882
+C66578401_decoy,-3.944888280143141
+CHEMBL168147_active,-7.151010756332931
+C05540634_decoy,-4.700849765692528
+C15251357_decoy,-6.635382547368679
+C15545205_decoy,-6.647814681154935
+C20292216_decoy,99.0
+C22057946_decoy,-4.4367152443377895
+C25456079_decoy,-7.688379391639563
+C33144819_decoy,-7.444054920598554
+C33929196_decoy,-6.036524433665984
+C36337356_decoy,-7.861615458696787
+C37055355_decoy,-6.430093082456086
+C37929513_decoy,-7.378499006716518
+C40800323_decoy,-5.938846678679241
+C40859332_decoy,-9.368019377167748
+C42321294_decoy,-6.839365283945759
+C42927614_decoy,-6.783186780974812
+C43408659_decoy,-7.209152509117269
+C45124761_decoy,-6.216807385837319
+C46673249_decoy,-6.257963273295279
+C49449083_decoy,-7.403414779432875
+C49458121_decoy,-8.95219162204135
+C52273798_decoy,-6.269085794227571
+C52475544_decoy,-4.34631128417041
+C60803068_decoy,99.0
+C62101727_decoy,-6.699856773154002
+C62149092_decoy,-4.859170551250022
+C66996479_decoy,-7.730547419485161
+CHEMBL315261_active,-9.64126643548918
+CHEMBL406252_active,-7.705382526714757
+C01074256_decoy,-5.588135421021211
+C05569689_decoy,-7.361743301013013
+C05759559_decoy,-4.693101877045619
+C12997540_decoy,-5.824335726275876
+C13237221_decoy,-6.98016042623058
+C21983079_decoy,-4.907815764156432
+C25444559_decoy,-6.419165304155418
+C32555954_decoy,-5.995328028610178
+C35403980_decoy,-6.47286462763519
+C36233457_decoy,-5.957130859929482
+C37669215_decoy,-6.15624874244819
+C37736001_decoy,-6.9835630847365815
+C38011633_decoy,-4.167734298883613
+C38701658_decoy,-5.431068846385086
+C39232679_decoy,-5.749997288850476
+C40336136_decoy,-6.980140772783358
+C40336265_decoy,-7.39031217371358
+C45067928_decoy,99.0
+C45901858_decoy,99.0
+C49972851_decoy,-4.700755504439794
+C54151195_decoy,-5.145361248050688
+C66629784_decoy,-6.941514838807025
+CHEMBL301233_active,99.0
+C03649853_decoy,-6.7228614639859
+C07585490_decoy,-8.600569675162296
+C07643819_decoy,-3.9741048308475473
+C08652679_decoy,-5.6951039900595255
+C13253150_decoy,-5.469058211455318
+C15276600_decoy,-6.628144406086442
+C19814631_decoy,99.0
+C25452487_decoy,-4.237057122526511
+C25530323_decoy,-7.592996438893233
+C29433785_decoy,-7.162523600840669
+C32611935_decoy,-5.775592429927616
+C36126576_decoy,-6.431941740341869
+C36223355_decoy,99.0
+C37658415_decoy,-7.158053711054427
+C40384980_decoy,-6.987518021177681
+C41022896_decoy,-6.902510515388636
+C41567383_decoy,-6.526701394943627
+C41960662_decoy,-6.228074117386328
+C43009388_decoy,-7.262787639467094
+C45063701_decoy,-4.937615826890776
+C45583483_decoy,-6.30632780939708
+C51147500_decoy,-8.299084349062335
+C60331835_decoy,-5.618510121956232
+C64309280_decoy,-7.265865235247571
+C64886984_decoy,99.0
+C66049305_decoy,-4.026516495379652
+C67143774_decoy,-6.437352388995627
+C02048952_decoy,-4.983915007238982
+C02545094_decoy,-7.842420809822239
+C13019470_decoy,-5.674912637353721
+C13192376_decoy,-4.924288857861668
+C13468369_decoy,-6.156624620384561
+C16431493_decoy,-6.805327873169983
+C25671934_decoy,-6.667687937718253
+C35375531_decoy,99.0
+C37471602_decoy,-4.137506380302945
+C37540486_decoy,-7.625821842505824
+C40347064_decoy,99.0
+C40377137_decoy,-7.388318636048457
+C40495815_decoy,-5.498161977543678
+C43110657_decoy,-7.272342024384548
+C43410691_decoy,-6.537198641894768
+C44458828_decoy,-3.896012365748045
+C47815725_decoy,-4.657075845626806
+C48065711_decoy,99.0
+C49076157_decoy,-6.249960644256637
+C50603072_decoy,-7.115243082899737
+C52096028_decoy,-7.110395755862232
+C61807388_decoy,99.0
+C66822164_decoy,-7.260112593191011
+C67269557_decoy,-5.0554562061963
+C04413468_decoy,-7.096824111872151
+C08088936_decoy,-6.777457455885106
+C35506402_decoy,-5.321933321920231
+C38084001_decoy,-7.802971999591486
+C39929739_decoy,-7.071933392331759
+C40347174_decoy,-5.633622700250913
+C40816777_decoy,-3.877074161313788
+C41080319_decoy,-6.735629315656976
+C42960821_decoy,-5.111793413743907
+C43564055_decoy,-6.760886223205433
+C44020134_decoy,-6.227392434270629
+C44473704_decoy,-8.024822104798176
+C46919967_decoy,-6.187195919148715
+C54413581_decoy,-5.427905675037326
+C63155024_decoy,-9.871644098400376
+C65029003_decoy,-5.6042861757329225
+C66194788_decoy,-6.213515803096107
+C66312860_decoy,-4.268295468080791
+C05215349_decoy,-4.48326890432412
+C05217224_decoy,-7.059982380655661
+C09268388_decoy,-4.811874823075462
+C09886089_decoy,-5.937730298819484
+C10125583_decoy,-6.805136531528675
+C12769322_decoy,-6.201422873071109
+C25387179_decoy,-6.558759219918072
+C35841589_decoy,-5.7859537389177325
+C37052613_decoy,99.0
+C37578457_decoy,99.0
+C37840748_decoy,-6.844803027465963
+C40084220_decoy,-6.666588235884399
+C41807710_decoy,-6.385441284800116
+C44248743_decoy,-5.011147846715343
+C46919645_decoy,-8.03536436891392
+C47836588_decoy,-4.746430869789434
+C48404573_decoy,-5.711160690911312
+C49079542_decoy,-7.2589587599699295
+C58332070_decoy,-5.649660393099377
+C02821414_decoy,-4.074709314869801
+C03078222_decoy,-7.385226068243925
+C04544019_decoy,-5.979228888432591
+C05022609_decoy,-6.993846688241781
+C05389923_decoy,-5.33808473078813
+C08379743_decoy,-5.379315324426552
+C12715181_decoy,-7.414746526533137
+C13020500_decoy,-4.050449041432037
+C13808173_decoy,-6.022108241670909
+C16029518_decoy,-5.346284556287498
+C17737471_decoy,-7.205056679054432
+C41606029_decoy,-6.287044852189446
+C43737125_decoy,-3.431174788982117
+C44380071_decoy,-5.326259093958906
+C44509071_decoy,-6.739048726661234
+C47104679_decoy,-5.074210632385823
+C48822241_decoy,-5.279115958197431
+C50396553_decoy,-5.667592665563348
+C52010937_decoy,-10.561860999920176
+C54814304_decoy,-7.234875537220611
+C02213666_decoy,-4.970087552137685
+C02865614_decoy,-4.325732255862434
+C05208088_decoy,-6.558744677192928
+C05386538_decoy,-5.061086021429159
+C11440472_decoy,-8.384614052345361
+C13118294_decoy,-6.133721874758896
+C15898691_decoy,-7.421945802384231
+C17079638_decoy,-8.233403528411657
+C19743056_decoy,-4.429526693957434
+C21818139_decoy,-5.135209378250846
+C28911106_decoy,-8.221571806731015
+C32754839_decoy,-6.332988875494994
+C35599551_decoy,-8.187331845067522
+C37628148_decoy,-4.248421789998038
+C37748137_decoy,-6.297123784097534
+C40327431_decoy,-6.176837332116963
+C40347155_decoy,-6.58380360441823
+C41468882_decoy,-7.379567593548413
+C43401206_decoy,99.0
+C44869543_decoy,-6.816292009036128
+C48591461_decoy,-6.220974500535358
+C48838272_decoy,-6.3141294721786645
+C49176171_decoy,-4.150245706281768
+C51120859_decoy,-6.171674751150155
+C55036421_decoy,-5.537871699588165
+C59879074_decoy,-7.514725407644148
+C61808887_decoy,-6.610011273445054
+C62384166_decoy,-7.544429927642128
+C65611306_decoy,-7.397519149964916
+C65948761_decoy,-6.017122261569901
+CHEMBL164976_active,-7.1025570088878505
+CHEMBL318452_active,-7.009680275104932
+C05386197_decoy,-3.077910889699085
+C12153338_decoy,-5.600788623095895
+C12503343_decoy,-5.129430091956588
+C13055239_decoy,-8.253451981744131
+C13545426_decoy,-5.175801857285991
+C17983729_decoy,99.0
+C22408630_decoy,-6.007054132120408
+C31118378_decoy,-5.7204651192447855
+C33611494_decoy,-9.202774159575997
+C35406701_decoy,-9.335994194941964
+C40362631_decoy,99.0
+C46554929_decoy,-6.159458854981272
+C50265057_decoy,-6.939053650921863
+C60379700_decoy,-6.477863225471227
+C63456456_decoy,-4.508927234136469
+C00056068_decoy,-4.044034388316717
+C03062219_decoy,-7.601142607780464
+C03213168_decoy,-5.840880399845285
+C05185478_decoy,-8.311621118577383
+C12426430_decoy,-5.569452515995184
+C12658566_decoy,-5.532597694528448
+C25884007_decoy,-5.489125269004783
+C32260899_decoy,-5.038856914069337
+C33594386_decoy,-5.588743371674715
+C36335907_decoy,-6.519628932276417
+C37629616_decoy,-6.864340832629818
+C37669187_decoy,-6.61038333637782
+C37751083_decoy,-8.614922878567315
+C42458481_decoy,-6.41811847380302
+C44560123_decoy,-10.084809625899489
+C44727783_decoy,-7.732032579279995
+C50417176_decoy,-5.988973629435827
+C61126000_decoy,-5.311018650134988
+C66569549_decoy,-4.399932790534851
+C66589485_decoy,-4.56958551689735
+C05685450_decoy,-4.113264225063637
+C05760149_decoy,-6.086756935113432
+C08819513_decoy,-5.421633121938212
+C09324533_decoy,-5.876218687993977
+C11509589_decoy,-7.238388478336844
+C13416508_decoy,-7.421864158701823
+C14805294_decoy,-7.223033208852148
+C17013652_decoy,-4.904072722232616
+C19790076_decoy,-6.269177992844687
+C20835128_decoy,-4.964244158244799
+C22594908_decoy,-6.826491049943557
+C37130802_decoy,-5.069658773886856
+C37660487_decoy,99.0
+C39862225_decoy,-5.451653501786951
+C41070000_decoy,-8.412686428049176
+C42375843_decoy,-8.799183987139534
+C43432778_decoy,-4.680668731432054
+C45665354_decoy,-7.936782260189216
+C47272777_decoy,-6.833464168695645
+C62722714_decoy,-3.2756277703060976
+C65623735_decoy,-7.418122042901762
+C67241320_decoy,-5.12366543209189
+C67510293_decoy,-6.171385178889554
+C02293781_decoy,-7.092261600995839
+C02815497_decoy,-5.683860051022047
+C08156879_decoy,-5.2472517914539125
+C09704037_decoy,-3.624031040745456
+C09970407_decoy,99.0
+C16953248_decoy,99.0
+C19893156_decoy,-5.452311975305219
+C35296146_decoy,-9.055100918323197
+C35607110_decoy,-6.912021703939328
+C36612828_decoy,-6.201781287590864
+C39692115_decoy,-8.618811587909036
+C40007790_decoy,-5.578326768721487
+C41121549_decoy,-6.441798718774626
+C41599182_decoy,-7.931198473742794
+C42612173_decoy,-4.735441430881968
+C49152921_decoy,-7.606702823109111
+C50102240_decoy,-8.236728360087813
+C50391850_decoy,-7.827334425494487
+C50638740_decoy,-6.737252132856632
+C51350116_decoy,-6.425119520528912
+C53255241_decoy,-8.561829713444064
+C59815854_decoy,-6.189090504734297
+C61808116_decoy,-7.302192869082473
+C63162023_decoy,-6.11632931356622
+C63974528_decoy,-4.824121220564305
+C64514546_decoy,-7.419021368267416
+C65076385_decoy,-4.746377251536896
+C01578026_decoy,-6.187517997203714
+C07643815_decoy,-6.846348057355097
+C12358937_decoy,-5.247245417006678
+C13582067_decoy,-4.124746858860419
+C22223371_decoy,-6.14531668438961
+C23145237_decoy,-5.63433408329217
+C35599649_decoy,-7.862559239649937
+C38102260_decoy,-3.220552197207504
+C39016132_decoy,-5.549562005054006
+C39363104_decoy,-6.979269657418043
+C39571062_decoy,-5.176500944627796
+C40335978_decoy,-8.403528655435164
+C40784034_decoy,-6.145627965162465
+C44699728_decoy,-5.211004318765283
+C44927538_decoy,-4.330149068422354
+C48001767_decoy,-5.806126442739541
+C48455187_decoy,-6.641530011782214
+C48591529_decoy,-4.543553633027823
+C51682856_decoy,-6.068723499414037
+C54134396_decoy,-7.734809491525758
+C65146841_decoy,-6.563324249334601
+C66200672_decoy,-7.233701737675768
+C67314365_decoy,-6.92835910744509
+C03444576_decoy,-5.762882694203624
+C05031975_decoy,-6.216140083020164
+C09915812_decoy,-7.634531809641828
+C14504482_decoy,-5.362814894280063
+C20214058_decoy,-3.801662582407097
+C20358720_decoy,-6.838382302314386
+C36396030_decoy,-5.480069725394578
+C36998684_decoy,-6.768599460715068
+C39231368_decoy,-6.698638437547001
+C39355963_decoy,-6.8110782360493
+C43480854_decoy,-6.526946446612867
+C46630862_decoy,-6.33324328577254
+C48558659_decoy,-5.089011012020591
+C50397213_decoy,-6.608207020644422
+C50511212_decoy,-5.69367373087245
+C50661878_decoy,-5.8580805962257525
+C50911045_decoy,-3.235173703982821
+C58175594_decoy,-5.335328219289463
+C62810705_decoy,-4.645796787288368
+C66640250_decoy,-6.127021494808356
+C67102108_decoy,-5.851668563352696
+C67139314_decoy,99.0
+C00811636_decoy,-7.467313623198688
+C06989615_decoy,-5.540990103640355
+C15898751_decoy,-7.063463809410867
+C20420541_decoy,-6.659763836694587
+C25670834_decoy,-5.966346461978474
+C29314850_decoy,-6.103555839744118
+C37022253_decoy,-5.145051384191466
+C37246260_decoy,-9.217923974064549
+C37432947_decoy,-10.439100833500124
+C37659667_decoy,-8.03732751975625
+C37821191_decoy,-7.512702628798932
+C39970794_decoy,-5.9757860013863615
+C40335555_decoy,-6.2187691218324765
+C47459344_decoy,-5.466779409560562
+C47552969_decoy,-6.740075770129061
+C48841156_decoy,-7.186902322330198
+C52015833_decoy,-6.523425194023778
+C62441305_decoy,-5.524662979617036
+C62858661_decoy,-7.29787921412227
+C63007726_decoy,-6.652384495951265
+C66200619_decoy,-6.995101484315214
+C01673413_decoy,-5.504668660616679
+C06084588_decoy,-5.918414200210383
+C12879811_decoy,-4.792860989907058
+C16524540_decoy,-5.3894863433628375
+C20023667_decoy,-4.204861301636527
+C21036297_decoy,-6.397727704184348
+C35083190_decoy,-6.926760744079192
+C35367162_decoy,-4.597721352808867
+C39945402_decoy,-6.639362779971902
+C40334020_decoy,-6.487305610869504
+C41035982_decoy,-8.232497359228688
+C41091154_decoy,-5.174398748913136
+C42521068_decoy,-5.775587126718589
+C43511280_decoy,-7.582551558942925
+C44805442_decoy,-5.626057782821367
+C48588976_decoy,-7.047632503356277
+C50398012_decoy,-4.440641476575647
+C53103555_decoy,-8.064584593521815
+C57878949_decoy,-7.790843025557292
+C59370032_decoy,-4.154662466213014
+C62512888_decoy,-6.584173430377847
+C63144141_decoy,-7.502181464577134
+C66380674_decoy,-6.391102289511968
+C03107199_decoy,-5.955337247292312
+C06521027_decoy,-7.119554748354091
+C06678856_decoy,-7.193483207477802
+C09789046_decoy,99.0
+C13366771_decoy,-5.757742274580821
+C29351732_decoy,-6.562976256592315
+C34789338_decoy,-6.65603460882621
+C36330887_decoy,-6.2539838915897725
+C37271736_decoy,-9.527143220653262
+C37432178_decoy,-9.463668914050752
+C37503040_decoy,-6.2993369278328535
+C39880326_decoy,-7.40699093523332
+C42444003_decoy,-8.591947267471362
+C44166973_decoy,-7.892026027423156
+C44791870_decoy,-9.20535277466998
+C45067702_decoy,-4.87997327809113
+C45777393_decoy,-5.4111003995026605
+C47594099_decoy,-6.203892012622557
+C50672806_decoy,-8.577793367865041
+C53094834_decoy,-8.98565474221585
+C53413803_decoy,-5.347522190181898
+C56671989_decoy,-7.177061452123752
+C61592740_decoy,-6.611622464095508
+C62316464_decoy,-4.203128910157304
+C62378665_decoy,-4.915404292055619
+C66595509_decoy,-5.915116035512143
+C67419862_decoy,-6.842263680757763
+C02406861_decoy,-3.682999021174513
+C03996025_decoy,-6.69113129170033
+C05724216_decoy,-6.044347542500386
+C09915782_decoy,-7.61773270984311
+C15691328_decoy,-6.679331654562271
+C17077716_decoy,-6.455016957072643
+C17128341_decoy,-5.55604032663427
+C36297920_decoy,-7.018002550266183
+C36780183_decoy,-6.957925493373114
+C37559337_decoy,-9.832738787625702
+C39323465_decoy,-5.201857959529932
+C41036367_decoy,-8.736966853650394
+C43231824_decoy,-8.686473354873643
+C44739370_decoy,-6.999136969134719
+C45009198_decoy,-8.461591572497175
+C46243260_decoy,-9.235064170661849
+C48764088_decoy,-5.020409399737054
+C50440139_decoy,-4.62814066793691
+C58920905_decoy,-7.030953911354943
+C62339752_decoy,-5.127800202981783
+C64427980_decoy,-7.381404174010022
+C65586650_decoy,-7.185099997821222
+CHEMBL411601_active,-6.02013326389182
+C01676162_decoy,-9.46558026191027
+C04096638_decoy,-5.350978838900761
+C04533568_decoy,99.0
+C05317276_decoy,-6.187582914110748
+C05337346_decoy,99.0
+C05733042_decoy,-7.102986971012204
+C05752397_decoy,-6.581931797343355
+C06759880_decoy,-5.855402254921107
+C19681201_decoy,-4.866721525414718
+C19724123_decoy,-6.497073745852221
+C20465385_decoy,-4.940569289772546
+C21035330_decoy,99.0
+C29414236_decoy,-6.260018831691208
+C36980780_decoy,-7.449192489260494
+C38994759_decoy,-5.939930652822481
+C40075484_decoy,-6.741280009749122
+C40169630_decoy,-4.336105117536009
+C40347150_decoy,-7.355526860154566
+C42353340_decoy,-5.995278195763799
+C44677528_decoy,-8.800931220672105
+C47964217_decoy,-6.933597938192487
+C50702650_decoy,-4.224823103464978
+C61658318_decoy,-9.257439187613585
+C62383463_decoy,-6.256085133634247
+C63005509_decoy,-7.069369245555918
+C65491155_decoy,-5.752090260901194
+C66200581_decoy,99.0
+CHEMBL1161290_active,-6.595013616239155
+C01733348_decoy,-6.486589655563491
+C08829795_decoy,-7.719430037069895
+C09341978_decoy,-6.13409073556716
+C12641476_decoy,-7.908366424703627
+C13347060_decoy,-5.528089264023344
+C15017026_decoy,-4.294504432234676
+C16189339_decoy,-7.219767221124701
+C17020676_decoy,-5.807345373051884
+C17419753_decoy,-5.171848755803004
+C20214069_decoy,-7.492303601174721
+C20291830_decoy,-3.9932887810190025
+C29977437_decoy,-6.614934958828827
+C35391359_decoy,-6.401645899966076
+C37054163_decoy,-7.323421650039233
+C39292449_decoy,-6.697594685893952
+C39354672_decoy,-5.329743521356363
+C40166878_decoy,-7.0700238301829765
+C42560659_decoy,-6.350737540438225
+C49101849_decoy,-8.093379158052414
+C49129139_decoy,-4.135815917980983
+C49726863_decoy,-4.44400340674006
+C50891766_decoy,-3.893659297652549
+C54505796_decoy,-6.5682185764711045
+C59114869_decoy,-7.461679908917011
+C61616141_decoy,-8.377089145853121
+C61807392_decoy,-7.884738512257566
+C66250627_decoy,-8.621484157153262
+C66978074_decoy,-6.719009436962805
+CHEMBL253839_active,-8.200360131914087
+C00448403_decoy,-8.169505472494858
+C05215425_decoy,99.0
+C05760744_decoy,-5.236360184285497
+C12417066_decoy,-6.00171992288697
+C12664446_decoy,-5.729448940233653
+C13250396_decoy,-8.818376405569003
+C13460188_decoy,-5.607128353773303
+C14115295_decoy,-4.61166454529149
+C33739915_decoy,-4.76671091121816
+C35347173_decoy,-6.691759234242526
+C36397315_decoy,-4.265872080151723
+C39327239_decoy,-5.48821746892364
+C39915805_decoy,-5.312069907742536
+C40336968_decoy,-5.63029621293537
+C41158546_decoy,-6.686579822611435
+C43413707_decoy,-8.709111202829462
+C45827456_decoy,-5.979348423199769
+C51147691_decoy,-6.303266122142605
+C54207757_decoy,-6.536910156395592
+C56015950_decoy,-6.641350975648822
+C56089285_decoy,-6.39545513729197
+C61712749_decoy,-6.5090463448690565
+C61804451_decoy,-7.208602851791921
+C62705749_decoy,-6.840161502458697
+C63508897_decoy,-6.247364099123383
+C65145867_decoy,-5.836898626777716
+C66848797_decoy,-6.626405600199866
+CHEMBL399060_active,-8.049208078383009
+CHEMBL400553_active,-12.34145350105496
+C04581992_decoy,-6.909946164301743
+C05107587_decoy,-5.698972148915079
+C16902244_decoy,-5.205701483229007
+C17079130_decoy,-6.7363733385314255
+C22994810_decoy,-6.502102397139084
+C24641495_decoy,-6.904314798472105
+C28513012_decoy,-4.653142282925978
+C37388159_decoy,-4.245152981771273
+C38008846_decoy,-7.204163525777844
+C40481257_decoy,-7.524909726472138
+C44510753_decoy,-7.3684052807410145
+C45068260_decoy,-8.861335873534298
+C46660900_decoy,-5.898165564449239
+C47550247_decoy,-7.760651092643785
+C47966375_decoy,-6.517773839670058
+C49061351_decoy,-8.745707381478976
+C51021882_decoy,-5.928520236315978
+C51606070_decoy,-8.878043011214814
+C53107030_decoy,-6.963515750732516
+C57124019_decoy,-6.8061719707080055
+C58156291_decoy,-6.6161797616151885
+C58687697_decoy,-4.371366584115742
+C63913965_decoy,-6.716654562372974
+C64082517_decoy,-6.849778338068791
+C66891211_decoy,-4.408424062101923
+C67423737_decoy,-5.516373685236099
+CHEMBL119140_active,-9.881936507861138
+C04824678_decoy,-4.169955371744082
+C05187504_decoy,-4.755938296683829
+C06141926_decoy,-6.640481837586046
+C06444861_decoy,-6.805500230182205
+C07367688_decoy,-6.424086137581504
+C11906259_decoy,-4.920504892288452
+C12500304_decoy,-6.57764377009865
+C16952310_decoy,-4.219677110166822
+C16953143_decoy,-6.003999418713996
+C19724122_decoy,-6.920657160995186
+C20922357_decoy,-6.593190038128827
+C22047931_decoy,-6.433095350014536
+C25976180_decoy,-4.453006424453627
+C28977939_decoy,-5.660684048250667
+C33519995_decoy,-8.614252322665811
+C37021935_decoy,-6.264156071378748
+C37432438_decoy,-5.614818972210214
+C38701655_decoy,-5.408593601312799
+C38748399_decoy,-5.9326374625779055
+C40115760_decoy,-6.18979278750081
+C43763776_decoy,-5.841262366931232
+C44677554_decoy,-4.117477650767961
+C44933142_decoy,-7.952963819539543
+C47105233_decoy,-7.3986130721256576
+C49103201_decoy,-6.691417534682709
+C51037394_decoy,-6.931553308313236
+C51575301_decoy,-5.282977561784086
+C51819186_decoy,-7.511259920145298
+C64056584_decoy,-7.192899636284783
+C64487902_decoy,-5.988231417521807
+C65897779_decoy,-6.739787713365763
+C66584272_decoy,-4.442765104291256
+C05386539_decoy,-6.115618255843248
+C16928989_decoy,-4.429958836858549
+C21036326_decoy,-7.291883539262385
+C22602837_decoy,-6.212467459437386
+C24181415_decoy,-5.086748671031409
+C24755853_decoy,-4.703475832255148
+C25188095_decoy,-6.373786464367527
+C37692852_decoy,-6.109748477695577
+C38787684_decoy,-5.014757993613316
+C38798762_decoy,-7.847555874778786
+C41070098_decoy,-8.332461168639089
+C41632781_decoy,-6.721922555254308
+C41773548_decoy,-5.742123451050396
+C42599172_decoy,99.0
+C44934212_decoy,-4.443859407211416
+C49019916_decoy,-5.22905495050988
+C50016130_decoy,-4.563377206890855
+C55404645_decoy,-5.884285418248084
+C60411571_decoy,99.0
+C62391383_decoy,-7.0128811908615765
+C65623562_decoy,99.0
+C66626385_decoy,-5.178930501057221
+C01572843_decoy,-5.4428734777126335
+C03814469_decoy,-4.42847370657589
+C05003933_decoy,-6.48228258288986
+C08094239_decoy,-6.386017631404468
+C12370955_decoy,-7.06407315120858
+C13346205_decoy,-5.931697720409209
+C30677490_decoy,-6.005474930919537
+C35682010_decoy,-4.547816542439202
+C40779838_decoy,-5.81443597315631
+C40794402_decoy,-4.163069139408424
+C42527090_decoy,-6.835605455175132
+C43396680_decoy,-8.268629499325055
+C44934921_decoy,-7.434192909567391
+C46585610_decoy,-6.190045520753884
+C49594062_decoy,-4.603461650607783
+C50087398_decoy,-6.352984539623238
+C50102316_decoy,-6.707178930392951
+C58313492_decoy,-5.8947639971686
+C61376744_decoy,-7.723029795807127
+C62257665_decoy,-5.383229650927108
+C63007926_decoy,-6.392810762498471
+C63105082_decoy,-5.462791203013961
+C63344754_decoy,-6.913290421840702
+C03670862_decoy,-6.463480198570193
+C04878092_decoy,-6.056707482816216
+C05480506_decoy,-8.382102101289924
+C05887112_decoy,-3.6688937142772606
+C07725262_decoy,-3.59007174478724
+C10077464_decoy,-5.511358890588193
+C13123861_decoy,-3.9705626427186416
+C13724829_decoy,-5.3418514354620665
+C16852813_decoy,-6.528513891817412
+C25877963_decoy,-6.768431314138541
+C36556754_decoy,-4.222063505280982
+C40638584_decoy,-6.783565899793518
+C45227357_decoy,-7.835882864825264
+C49664186_decoy,-4.648104105267537
+C54523030_decoy,-5.158306437739856
+C62664431_decoy,-7.369538008173359
+C62828285_decoy,99.0
+C66120009_decoy,-6.178545893723202
+C67050971_decoy,-3.841407744078864
+C67051588_decoy,-4.395931687242031
+C00513600_decoy,-7.082013696519352
+C13204396_decoy,-5.769408758932428
+C21035523_decoy,-6.808536964210224
+C21036185_decoy,-5.465872446990943
+C39558366_decoy,-5.378983167164209
+C40081603_decoy,-7.078795236149377
+C40156192_decoy,-5.805256028932016
+C40346999_decoy,-7.803135639158895
+C42445207_decoy,-7.041145172614419
+C44257217_decoy,-5.8112036752654666
+C44595046_decoy,-7.258268757805475
+C45147796_decoy,-4.447864977255844
+C45192178_decoy,-5.907243103144717
+C47880455_decoy,-5.470568727174024
+C48738817_decoy,-5.809176956206046
+C49244000_decoy,-6.477198170765777
+C67051819_decoy,-5.896400268423841
+C05781539_decoy,-4.825752859577767
+C08361556_decoy,-6.966516864374914
+C15083041_decoy,-4.514924603825153
+C15206459_decoy,-3.619482920517724
+C20898897_decoy,-7.656169588883224
+C27739774_decoy,-4.307309618507449
+C38664777_decoy,-6.779125027529639
+C44288034_decoy,-4.24306607800544
+C44730776_decoy,-5.749733784465724
+C61807977_decoy,-6.288770093787807
+C67036290_decoy,-5.505283861848058
+C67070342_decoy,-6.593907924719264
+C67473821_decoy,-6.635131704056215
+C67509170_decoy,-5.065444938526952
+CHEMBL25495_active,-4.433471018475989
+C02114384_decoy,-5.032076307161346
+C05103348_decoy,-5.710184509303255
+C05304219_decoy,-5.360002712481214
+C06984507_decoy,-6.613369973425204
+C13783897_decoy,-5.529796460446296
+C15221682_decoy,-4.852673023667619
+C20396386_decoy,-4.933854730754528
+C21326424_decoy,-5.679897378329285
+C35734077_decoy,-6.991569604323616
+C37431707_decoy,99.0
+C39999565_decoy,-6.65798799373189
+C40123857_decoy,-8.133438283030488
+C41680830_decoy,-9.214115490648226
+C44667845_decoy,-6.081519341619886
+C44782818_decoy,-8.169183089197366
+C47964392_decoy,-5.946627029087961
+C50136661_decoy,-6.534674433485232
+C52925505_decoy,-8.27162919246017
+C54288246_decoy,-5.50644935815815
+C56976786_decoy,-6.120982361863885
+C60417305_decoy,-4.736314162010744
+C60865265_decoy,-3.48948276753086
+C62801286_decoy,-6.62380621516461
+C63000831_decoy,-6.781417542245206
+C63144079_decoy,-7.400277591820601
+C64242718_decoy,-5.284660163297437
+C66122289_decoy,-6.684150467066728
+C67373044_decoy,-3.39069037937599
+C10496520_decoy,-5.505715251636283
+C16026454_decoy,-4.661693059259324
+C17248466_decoy,-4.816214949501553
+C20548996_decoy,-5.528975274755168
+C20922705_decoy,-3.977722268162894
+C23041549_decoy,-5.272920824341278
+C37671203_decoy,-5.000544950183405
+C40681065_decoy,-5.571151530114919
+C44559979_decoy,-3.8629862890543727
+C46920239_decoy,-6.392745590825119
+C49506367_decoy,-5.771241595539202
+C54430565_decoy,-6.448779556136275
+C55611676_decoy,-6.5061491876092905
+C57218400_decoy,-3.9016721717283978
+C58903637_decoy,-4.448945797157286
+C62393766_decoy,-7.175357471342118
+C65147932_decoy,-4.219130678308036
+C67540083_decoy,-8.248468892375294
+C03228765_decoy,-4.825310746528576
+C13397138_decoy,-6.242855458659097
+C15048483_decoy,-6.502877462842691
+C15223058_decoy,-5.410501801737508
+C16952476_decoy,-4.331514053143131
+C19221021_decoy,-5.459262982133407
+C25576972_decoy,99.0
+C35600123_decoy,-4.810009754698931
+C39862181_decoy,-6.325980818812757
+C39937440_decoy,-4.724387913964096
+C40172443_decoy,-5.899189125864576
+C42427143_decoy,-6.365673026205029
+C48002363_decoy,-6.415137402807514
+C54382009_decoy,99.0
+C67124439_decoy,-5.912784041593229
+CHEMBL310004_active,-10.883609639765542
+CHEMBL373336_active,-8.634698200013009
+C01121765_decoy,-5.396702248201513
+C04200041_decoy,-5.169239105120058
+C06829168_decoy,-4.462173159394057
+C08846389_decoy,-5.51538768395685
+C09466933_decoy,-6.883721942122123
+C11566893_decoy,-5.112452573913691
+C13203967_decoy,-5.645064215398938
+C24440680_decoy,-5.904486190051095
+C34256140_decoy,-5.741664256401571
+C35191168_decoy,99.0
+C36166228_decoy,-5.595056687034417
+C38752874_decoy,-5.615784213570059
+C39998126_decoy,-5.151282170375555
+C40363133_decoy,-9.164787117930649
+C40656699_decoy,-4.433594784223058
+C42542633_decoy,-6.523644312259311
+C44254948_decoy,-5.081273652647906
+C44782190_decoy,-8.60260479075235
+C51329288_decoy,-4.395896579435956
+C54207754_decoy,-6.754965267822852
+C55836658_decoy,-5.668913482637795
+C58236270_decoy,-6.089452678973185
+C59403048_decoy,-6.088578666572518
+C63772485_decoy,-4.89430536575486
+C64873376_decoy,-6.611829380911788
+C66924822_decoy,-5.989468595469384
+C67239319_decoy,-6.893342363742338
+C04217447_decoy,-5.023795267382628
+C05650269_decoy,-4.779377191593915
+C05807388_decoy,-5.133248420526823
+C09253210_decoy,-6.412341122500446
+C09478347_decoy,-6.6818080681410414
+C13246023_decoy,-6.094900375256707
+C16430153_decoy,-6.354203418902982
+C20524305_decoy,-7.218644963550346
+C20915766_decoy,-6.712183159823017
+C26153920_decoy,-5.574985459185095
+C33925296_decoy,-6.035948748831632
+C36374867_decoy,-5.879845980898981
+C37561484_decoy,-3.831605485077176
+C37615395_decoy,-4.301832286522846
+C38719855_decoy,-5.665490248133396
+C40348712_decoy,-6.199308669629372
+C40376354_decoy,-5.326686986538206
+C41599500_decoy,-7.021386533863923
+C42272787_decoy,-7.570087572955799
+C43472211_decoy,-6.740729510731047
+C48749121_decoy,-7.063797122200804
+C49575681_decoy,-4.297305134708419
+C62834356_decoy,-5.320558285427977
+C64796099_decoy,-4.248549304751587
+C67360010_decoy,-6.659249121841302
+C05532622_decoy,99.0
+C06505226_decoy,-5.485780995841166
+C09092345_decoy,-6.324071742762909
+C15206341_decoy,-4.482490294470916
+C21999920_decoy,-5.294826372906988
+C33330728_decoy,-4.681838509499046
+C35153920_decoy,-8.847091778259548
+C40225937_decoy,-5.320353937180423
+C42520380_decoy,-8.466976984447859
+C43763992_decoy,99.0
+C52015781_decoy,99.0
+C58236977_decoy,-4.707223981395916
+C59266497_decoy,-6.23103703954003
+C61330387_decoy,-4.738723158894748
+C61668114_decoy,-4.871846297947561
+C61808422_decoy,-7.305483132124106
+C61884159_decoy,-7.160532300735602
+C62853921_decoy,-8.206877410765593
+C63532933_decoy,-4.2816532863550885
+C66839670_decoy,-4.721218555299129
+C01560459_decoy,-6.260744944172899
+C02792846_decoy,-8.299875833643366
+C04104806_decoy,-4.3156933255844185
+C04496423_decoy,-4.825149022592399
+C12407137_decoy,-4.21030463277755
+C12715169_decoy,-7.88536321511605
+C14112568_decoy,-7.0611816546963775
+C16941531_decoy,-6.909170338469743
+C19423891_decoy,-6.626971955155062
+C20829875_decoy,-7.448418711469985
+C22158895_decoy,-4.167190932384171
+C27822432_decoy,-7.038016144908854
+C37063745_decoy,-6.671307843852615
+C37977090_decoy,-6.050335447140028
+C38794012_decoy,-7.074675832051492
+C40576628_decoy,-10.54870249867791
+C41027143_decoy,-5.775864442345036
+C41372124_decoy,-5.87320481611328
+C45089058_decoy,-8.644491039470365
+C47999012_decoy,-6.564730536649324
+C49540138_decoy,-4.400142610458972
+C52015525_decoy,-6.357208259502115
+C57009082_decoy,-6.391466254053511
+C58532542_decoy,-5.697958722194057
+C61593985_decoy,-4.193748387054888
+C61875512_decoy,-5.069340144720141
+C61982727_decoy,-4.661233835564266
+C67163299_decoy,99.0
+C67463650_decoy,-6.44182724444039
+C01414423_decoy,-2.596225045125619
+C04758045_decoy,-6.05698654965735
+C04958363_decoy,-4.028147189459321
+C06988605_decoy,-5.26876528112702
+C08292582_decoy,-5.940263530615327
+C13245295_decoy,-6.719714339134116
+C15899218_decoy,-7.696513442386085
+C16941948_decoy,-5.913749147968311
+C18202748_decoy,-5.024646220949112
+C22758521_decoy,-6.935775023819199
+C38102258_decoy,-4.737520110624599
+C38798770_decoy,-5.312305070165614
+C39667983_decoy,-5.734229550067673
+C40315818_decoy,-7.301227300054855
+C40378179_decoy,-4.9488373322259065
+C41583051_decoy,-7.865091298133111
+C44785044_decoy,-6.039718383238106
+C44870875_decoy,-7.589820334605791
+C44928079_decoy,-4.629716805836115
+C47059134_decoy,-5.408276400203617
+C48720747_decoy,-5.1583071547115695
+C49052254_decoy,-5.4693452667680775
+C50324282_decoy,-6.450458408051979
+C50392749_decoy,-4.0358048256340044
+C50397290_decoy,-5.366986418406646
+C51093108_decoy,-5.678136312726608
+C59879400_decoy,-5.769724554081988
+C63529325_decoy,-5.174831798414587
+C64861357_decoy,-5.737534239071971
+C65743061_decoy,-3.495678293954603
+C00611621_decoy,-6.822956566029204
+C11236378_decoy,-5.993808124199136
+C12501168_decoy,-6.548662827041585
+C13338052_decoy,-7.34448887173053
+C16940377_decoy,-3.768267705211645
+C17577055_decoy,-6.450855643668703
+C22063756_decoy,-4.620467358801232
+C24123997_decoy,-5.9051053097993735
+C37054166_decoy,-7.716010727120754
+C37951718_decoy,-8.28264216761585
+C40336092_decoy,-8.158076108553903
+C40736751_decoy,-5.798859912480533
+C41071061_decoy,-5.6965206626006015
+C41071322_decoy,-5.578603825904148
+C42418759_decoy,-7.60103955475522
+C43339345_decoy,-6.756890510301389
+C43511375_decoy,-5.159941316146284
+C43771847_decoy,-4.089072953589021
+C45154607_decoy,-7.200077003439684
+C47822824_decoy,-6.63403353396156
+C49087544_decoy,-6.147131907585795
+C50430731_decoy,-6.824227950525408
+C52811272_decoy,-9.0952033615882
+C61884157_decoy,-8.918068443150709
+C67196231_decoy,-4.728745535565626
+C67241230_decoy,-5.135513007355714
+C05258806_decoy,99.0
+C08581575_decoy,-4.390434502993201
+C10329109_decoy,-4.953696485612771
+C12374665_decoy,-4.903505842195157
+C17039613_decoy,-6.633599084763717
+C20613844_decoy,-6.051243791496721
+C20922797_decoy,-5.567924931287928
+C22062892_decoy,-3.9841667670591967
+C22164833_decoy,-6.209959122818088
+C27230359_decoy,-5.723920540023989
+C33727946_decoy,-3.81692039995087
+C36531319_decoy,-6.71074992445651
+C39561042_decoy,-5.016463804602442
+C40686649_decoy,-6.315195471060265
+C43763915_decoy,-4.852792475847858
+C44930427_decoy,-6.636042795414696
+C45011924_decoy,-7.636359788477221
+C49114173_decoy,-6.989344664179774
+C54976888_decoy,-6.617863836063585
+C58218268_decoy,-4.814576411628157
+C59369436_decoy,-4.949360132493507
+C61595553_decoy,-5.436499310972856
+C64426802_decoy,-5.721416550266724
+CHEMBL418456_active,-7.62792182791674
+C09836267_decoy,-7.013753173551435
+C11865662_decoy,-5.837322705409619
+C19797663_decoy,-4.5922507394722425
+C20025993_decoy,-5.880042031911126
+C28623956_decoy,-6.404390880587913
+C33351162_decoy,-7.027495807564271
+C37064835_decoy,-4.12089654632772
+C37581410_decoy,-7.091692417737208
+C37629735_decoy,-5.240616675024162
+C40347016_decoy,-7.7008514839305215
+C40628990_decoy,-4.099481737535687
+C40707437_decoy,-5.804296453587214
+C43050325_decoy,-5.3143338413207575
+C43509297_decoy,-4.6590127080210975
+C49079463_decoy,-7.22065991060802
+C50983716_decoy,-5.939942542792827
+C52015821_decoy,-5.923354548593909
+C53044161_decoy,-7.233674482565624
+C54111634_decoy,-6.917804734180431
+C55579424_decoy,-6.008241837517395
+C63144064_decoy,-7.166977683526577
+C65862129_decoy,-5.0611869567968615
+C02549530_decoy,-7.54085032528016
+C03067016_decoy,-5.916902807009588
+C03441196_decoy,99.0
+C04338167_decoy,-5.689145570266095
+C05357624_decoy,-7.224164855064373
+C07001319_decoy,-5.995526826555839
+C12652056_decoy,-4.767501379665115
+C14332718_decoy,-6.231035879300902
+C15083039_decoy,-4.682054641897212
+C25436597_decoy,-6.457009843026659
+C35094992_decoy,-7.1568538343650205
+C37486427_decoy,-4.938296580238339
+C40096997_decoy,-6.515258977849177
+C40125596_decoy,-6.578595280366208
+C40348082_decoy,-5.986903345159448
+C40520641_decoy,-3.703757750161774
+C43509429_decoy,-5.244394117506172
+C49351903_decoy,-6.964077863804968
+C51813679_decoy,-5.5027523445260025
+C60880388_decoy,-7.283505401957401
+C63709231_decoy,-6.049163936922098
+C64851801_decoy,-3.995308447983367
+C03412814_decoy,-6.039791092646812
+C06813535_decoy,-5.796336674638469
+C06904942_decoy,-6.598136138598088
+C18276498_decoy,-4.647135919228114
+C19475624_decoy,-3.726703434499952
+C26814444_decoy,-7.177765477893066
+C36744621_decoy,-7.469393216644279
+C36816315_decoy,-6.341138959791569
+C37432334_decoy,-7.229992144059287
+C40376664_decoy,-6.941266052320841
+C42236037_decoy,-4.740134522587836
+C42894952_decoy,-7.160090968550978
+C43508652_decoy,-6.408379999252948
+C44467014_decoy,-7.99017647298048
+C44837926_decoy,-8.671500063306773
+C45536876_decoy,-7.508248167752983
+C49691283_decoy,-6.255407852659711
+C49853326_decoy,-6.857379147018586
+C50136539_decoy,-5.570861063442331
+C53035700_decoy,-7.964825016950547
+C60331952_decoy,-6.7349626883791816
+C66636749_decoy,-6.052084115771812
+C66637662_decoy,-4.985761197854193
+C67162937_decoy,99.0
+C03013047_decoy,-6.284871910790399
+C03225608_decoy,-4.942434357917999
+C04707705_decoy,-6.728618805619991
+C04954801_decoy,-7.339641893588262
+C05505304_decoy,-4.216169406736425
+C05810432_decoy,-6.925478002024248
+C18211745_decoy,-4.702343836805074
+C26575829_decoy,-6.239912591180563
+C31492446_decoy,-6.871928540779752
+C37750260_decoy,-4.096401465781282
+C37934352_decoy,-5.369542752055176
+C39290206_decoy,-6.398574198386182
+C40382379_decoy,-3.998162342701425
+C41632772_decoy,-4.01947330225241
+C43181048_decoy,-6.233950035071852
+C44168740_decoy,-4.967319601136477
+C44511062_decoy,-8.486460278652036
+C45063731_decoy,99.0
+C49061374_decoy,-7.592892037271046
+C51095090_decoy,-4.49201658727922
+C53039113_decoy,-5.041770807816896
+C53147984_decoy,-5.778477142029372
+C59813598_decoy,-5.595217637249029
+C62036531_decoy,-4.228017295546892
+C62962972_decoy,-8.670361683244842
+C65133597_decoy,-5.467997921785378
+C66636848_decoy,-4.189409129839744
+C67181568_decoy,-5.502970542663178
+C67493171_decoy,-4.937203795283274
+C00112771_decoy,-5.130680648744538
+C01608244_decoy,-4.06147710988893
+C04185265_decoy,-5.439475235837225
+C04578411_decoy,-7.3989341302163325
+C04824373_decoy,-4.154715172593851
+C10312617_decoy,-4.734627649406713
+C11238240_decoy,-6.096665855329396
+C15559620_decoy,-5.49253390808191
+C15834742_decoy,99.0
+C22899671_decoy,-4.565497177303704
+C32605225_decoy,-5.4076351618505205
+C32814722_decoy,-7.003447881413996
+C36710218_decoy,-5.028356996285874
+C38105982_decoy,-7.137395834082891
+C39862087_decoy,99.0
+C46984535_decoy,-5.23899206469611
+C51088944_decoy,-5.537990704372985
+C55211062_decoy,-3.9591080780978296
+C58254227_decoy,-6.480240777990966
+C61320364_decoy,99.0
+C62858604_decoy,-9.082723290480978
+C65404190_decoy,-5.620964679197842
+C67241145_decoy,-5.690788997482414
+C04982952_decoy,-5.235578948085287
+C05686038_decoy,-4.743370537551566
+C13207047_decoy,-5.88754406320625
+C13336924_decoy,-5.302542329096913
+C16482122_decoy,99.0
+C19867465_decoy,-5.909409746605343
+C20922047_decoy,99.0
+C21785025_decoy,-6.115695612783382
+C24509192_decoy,-6.259436932760566
+C36195212_decoy,-4.196545273528178
+C37246185_decoy,-5.1158401937520255
+C40079624_decoy,-7.635032749183542
+C40469058_decoy,-8.96495102879524
+C40696797_decoy,-7.958596683134504
+C40709033_decoy,-3.663845691425189
+C42483565_decoy,-6.87442345943499
+C45015263_decoy,-6.5244475633341965
+C45596976_decoy,-6.325594544401523
+C45824105_decoy,-5.55944436047078
+C48734414_decoy,-6.087786833310975
+C49236412_decoy,-4.205346077571396
+C54500071_decoy,-3.9913533606178384
+C61685956_decoy,-6.005580752318148
+C61691701_decoy,99.0
+C61886426_decoy,99.0
+C63171126_decoy,-6.674048664803821
+C63344185_decoy,99.0
+C67469273_decoy,-5.818065507775136
+CHEMBL167253_active,-7.0045622055633805
+CHEMBL57348_active,-5.872052968759015
+C01600204_decoy,-3.3976299919001955
+C01704182_decoy,-5.168859500620307
+C08694877_decoy,-5.545410365368645
+C12715208_decoy,-4.746337435416144
+C13573774_decoy,-7.160389862396638
+C15899100_decoy,-6.538792170511942
+C20465639_decoy,-4.447764865149969
+C22047789_decoy,-7.313808958688178
+C33373460_decoy,-6.963660352612584
+C33474721_decoy,-3.3383466414946663
+C34132718_decoy,-6.149995869481598
+C35452949_decoy,-3.4597838399952163
+C37368692_decoy,-5.85086410300137
+C38686727_decoy,-5.967355617593418
+C40084670_decoy,-6.021440046648998
+C40457306_decoy,-4.719799368384418
+C40627646_decoy,-4.975928589515209
+C44791313_decoy,-5.819316302067239
+C45068209_decoy,-6.272771851118059
+C48448993_decoy,-5.375686905000281
+C49181426_decoy,-6.188629776590394
+C51125453_decoy,-6.422559124460636
+C51354777_decoy,-5.1824224881618335
+C51575024_decoy,-6.556230458106761
+C53801629_decoy,-3.6005622153387984
+C55037240_decoy,-6.37481139165982
+C62898199_decoy,-7.992442988992357
+C63084212_decoy,-5.60250852043478
+C01581673_decoy,-4.640330297006544
+C03840200_decoy,-6.234128211564115
+C15579067_decoy,99.0
+C16953141_decoy,-5.336422913745241
+C26677491_decoy,-6.664482578058033
+C32217595_decoy,-8.080659962709545
+C35694138_decoy,-8.534548606498907
+C37036795_decoy,-3.3847879573029016
+C39224087_decoy,-5.393183691853151
+C40337031_decoy,-4.326548786238964
+C40625196_decoy,-8.15564430596934
+C45147775_decoy,-7.449170328133002
+C47477715_decoy,-4.446124524710211
+C49249076_decoy,-4.044133799524814
+C49496698_decoy,-6.435836071626176
+C49502994_decoy,-4.707268774508426
+C50638725_decoy,-6.531385368517837
+C51036507_decoy,-4.476459288791227
+C54523218_decoy,-6.617569571321959
+C54739264_decoy,-6.355883099413491
+C59973697_decoy,-4.8082789138838375
+C64512356_decoy,-7.77190923885231
+C65189620_decoy,-4.225403964425603
+C66120153_decoy,-6.555941491027875
+C66451528_decoy,-4.8783123514208535
+C67315130_decoy,-6.090501584604934
+C00062388_decoy,-4.545009776310942
+C04177323_decoy,-4.740866096832601
+C05163039_decoy,-5.875583398146125
+C06756804_decoy,-6.064216141627891
+C07813474_decoy,-5.735626490989646
+C09761293_decoy,-4.446842682962649
+C12350008_decoy,-4.359839169292967
+C13131038_decoy,-6.064321052600316
+C13689504_decoy,-4.2571364911164284
+C16953324_decoy,-4.199339292879792
+C20548389_decoy,-5.713835333863576
+C23142287_decoy,-6.494067008395773
+C35567591_decoy,-6.967112980870595
+C37744377_decoy,-6.154536749084697
+C38664639_decoy,-7.312507070655893
+C42788932_decoy,-5.029432751603873
+C50638748_decoy,-6.973739493979978
+C51578010_decoy,-5.133894474041036
+C52735724_decoy,-5.635998093136266
+C55589093_decoy,-4.337546092856328
+C60861841_decoy,-5.6764610881112905
+C61409963_decoy,-3.4757782423474097
+C62833917_decoy,-3.9133612417048544
+C66052318_decoy,-5.223327894993438
+C66456658_decoy,-6.205850763840474
+C67240488_decoy,-5.44710192000245
+CHEMBL352694_active,-5.7930370980577335
+C05061151_decoy,-5.454942226682598
+C05373597_decoy,-4.306317133069455
+C08708736_decoy,-5.637806468258084
+C12745896_decoy,-4.987699995193673
+C13455367_decoy,-6.009843288050625
+C19222056_decoy,-5.4313771773896855
+C20553201_decoy,99.0
+C28395052_decoy,-7.134392246331879
+C36983561_decoy,-6.233595364603279
+C37736100_decoy,-7.966848389021782
+C37987155_decoy,-4.031040628345725
+C39480865_decoy,-5.281871966628259
+C39862005_decoy,-5.910085003191405
+C40144405_decoy,-5.384054004377699
+C40155198_decoy,-4.9551013177481655
+C40314635_decoy,-6.973849263138536
+C40335888_decoy,-6.044444414863326
+C40452971_decoy,-4.613994684033537
+C40686989_decoy,-6.058016347858271
+C41854437_decoy,-3.9743118624541127
+C42507196_decoy,-5.256833652986678
+C44783336_decoy,-6.42859282156283
+C48998415_decoy,-5.49509445249958
+C49238187_decoy,-7.555652900540141
+C50649765_decoy,-4.812909847636126
+C52125890_decoy,-3.4236645714029152
+C60411708_decoy,-6.3879999962848295
+C62779660_decoy,-4.184810691522986
+C65384914_decoy,-6.137356196101452
+C65697986_decoy,-4.608986059364867
+C01615674_decoy,-5.2356899543254585
+C01688120_decoy,-5.657618931611365
+C01878899_decoy,-6.055250131388268
+C04043901_decoy,-3.438020149903517
+C08390262_decoy,-5.735870667961549
+C12538992_decoy,-5.349498490084202
+C13245086_decoy,-6.308600310417512
+C15923140_decoy,-7.419783286544269
+C20298941_decoy,-4.689894274986825
+C27398619_decoy,-6.908976680818365
+C37736638_decoy,-6.381216749059446
+C40302464_decoy,-6.747907813952142
+C40680493_decoy,-4.411984324122733
+C40801037_decoy,-5.481254143368102
+C41019734_decoy,-8.45402230436732
+C42471584_decoy,-7.914236351112067
+C43430268_decoy,-4.271643332060077
+C49519333_decoy,-7.332515247165043
+C58293868_decoy,-3.615016389961941
+C60615389_decoy,-4.885353751944968
+C61592826_decoy,-5.804258874630261
+C65453121_decoy,-4.309277628988811
+C66056642_decoy,-6.6100225834077
+C66276777_decoy,-6.786246224173022
+C66625792_decoy,-7.145697766826131
+C66898756_decoy,-5.635502556936864
+C02794161_decoy,-6.356975457176958
+C09033228_decoy,-7.255246167048099
+C09377600_decoy,-5.84344821913613
+C09694456_decoy,-4.983973063865788
+C13600823_decoy,-6.031960460285776
+C20757625_decoy,-5.859986906714234
+C35611403_decoy,-4.377810697869866
+C36358924_decoy,-6.018313384139341
+C36744629_decoy,-4.699492946283464
+C37462171_decoy,-5.700122641356159
+C38580920_decoy,-5.306108798106268
+C38798777_decoy,-6.733301172585893
+C39590281_decoy,-6.014915580775771
+C39886099_decoy,99.0
+C39894869_decoy,-5.67427691488982
+C40756645_decoy,-6.061833066271187
+C44785234_decoy,-8.48126627946573
+C47672388_decoy,-4.852440812314464
+C49561162_decoy,-4.890977591415012
+C50306218_decoy,-5.84374455928398
+C50602267_decoy,-4.73520874293233
+C53168457_decoy,-5.8060802449516205
+C55188751_decoy,-5.837484065772768
+C56499555_decoy,-4.970340238395642
+C59971196_decoy,-4.145499303280103
+C62779793_decoy,-4.437785250339544
+C63141954_decoy,-4.422504805349326
+C63156803_decoy,-6.817166311736738
+C65042041_decoy,-5.314892299936414
+C66924983_decoy,-6.655588248596236
+C01069888_decoy,-4.9988000197370255
+C02320720_decoy,-5.684496825738418
+C02565903_decoy,-6.011556833672299
+C04452935_decoy,-5.273133373770192
+C04600500_decoy,-5.692244236157931
+C05741720_decoy,-6.275220439288088
+C13237523_decoy,-5.185028530280181
+C18806019_decoy,-4.414585108059283
+C21247563_decoy,99.0
+C37501182_decoy,-6.8536192160895695
+C39558394_decoy,-5.208883492019109
+C40082405_decoy,-5.807140235903146
+C40472990_decoy,-4.937647723935766
+C41834342_decoy,-7.655938370292058
+C45103534_decoy,-5.714037478286503
+C48952551_decoy,-7.030271666758713
+C49588760_decoy,-4.3796742819997405
+C50658965_decoy,-4.05141481912836
+C51123421_decoy,-6.32494043863944
+C57997343_decoy,-6.904022237968805
+C61320371_decoy,-3.840589436230005
+C62793857_decoy,-6.624709543349838
+C63725934_decoy,-5.793316503697331
+C64202430_decoy,-5.047201011471394
+C64851923_decoy,-5.638246734053217
+C65404873_decoy,-4.860082216683161
+C67129381_decoy,99.0
+C02257390_decoy,-5.836285105054367
+C04517020_decoy,-5.774755245380868
+C13204127_decoy,-5.204339924447392
+C13239042_decoy,-8.105654875552268
+C14059791_decoy,-3.7233220405735055
+C17044138_decoy,-6.428184620162394
+C18324024_decoy,-6.060993327730134
+C32776829_decoy,-7.182584124637381
+C35345144_decoy,-4.60291807487598
+C37451014_decoy,-5.1390397571510045
+C43511216_decoy,-5.103730303511436
+C43763774_decoy,-6.583069806058218
+C47932483_decoy,-6.083692812105233
+C49079334_decoy,-8.948930872679343
+C59165383_decoy,-6.085155879389764
+C62723266_decoy,-4.594742252792059
+C66638370_decoy,99.0
+C66782277_decoy,-4.845558635925155
+C66846849_decoy,-4.613441524931949
+C67390582_decoy,-6.941792317788041
+C04718464_decoy,-5.517793422958764
+C04802217_decoy,-3.927217769111373
+C19987807_decoy,-6.886286199662343
+C21049889_decoy,-3.644809995924372
+C25362027_decoy,-3.5390835202800592
+C32605199_decoy,-4.995777175500749
+C35652999_decoy,-4.451916359281681
+C36283885_decoy,-4.542589578466124
+C37995614_decoy,-4.588792885273649
+C40315840_decoy,-4.4025200593021685
+C40498546_decoy,-5.953298969128103
+C40532994_decoy,-7.589802627858628
+C42503558_decoy,-7.51407413570458
+C44410898_decoy,-5.600965359779494
+C44928892_decoy,-5.424256412040392
+C48840675_decoy,-5.959660400111108
+C50660349_decoy,-5.991507425785583
+C51088303_decoy,-3.8670099468163786
+C58261844_decoy,-6.2230919059433845
+C58481749_decoy,-5.065845220797349
+C59404311_decoy,-6.3828519366933705
+C59829852_decoy,-4.561356253471051
+C61324115_decoy,-6.775983902388756
+C63142814_decoy,-7.639021206363919
+C64749218_decoy,-6.452942852848491
+C65083376_decoy,-6.222526438184994
+C66702232_decoy,-4.295906778198937
+C67051337_decoy,-5.493635381680348
+C67587192_decoy,-6.352166308381063
+C00505675_decoy,-4.497243988362736
+C00583634_decoy,-2.7974500924036114
+C02099551_decoy,-4.3318638751506215
+C08027785_decoy,-6.430153062859129
+C08846176_decoy,99.0
+C12652117_decoy,-4.2490235826476574
+C12886091_decoy,-5.8492648663115006
+C20834789_decoy,-7.573340917904709
+C21036067_decoy,-4.903511813711381
+C27874708_decoy,-5.150680366039415
+C35465308_decoy,-5.131704046331304
+C36233368_decoy,-5.389988800786267
+C37404579_decoy,-7.574794377739698
+C37594496_decoy,-5.801321052677077
+C37789828_decoy,-5.884454748980631
+C37929006_decoy,-3.894563845825794
+C38079935_decoy,-6.401491565158862
+C39697389_decoy,99.0
+C43908270_decoy,-3.8636263722610935
+C45068200_decoy,-7.419545833511156
+C45699999_decoy,-6.264200516953346
+C62239789_decoy,-5.859707671309317
+C63147527_decoy,-6.277709832504487
+C64885041_decoy,-5.837106233114208
+C64900961_decoy,-4.9025788619446615
+C65440115_decoy,-5.508967702601937
+C04765473_decoy,-5.825611891887261
+C17213890_decoy,-6.3992945341750165
+C20834240_decoy,-5.432172761025748
+C22065506_decoy,-6.91083729928775
+C25681712_decoy,-5.16112352445706
+C35383065_decoy,-4.968746372798602
+C38798746_decoy,-6.653250080056405
+C40459998_decoy,-7.474511442398596
+C40516843_decoy,-4.674731842399801
+C41071224_decoy,-5.899933998348442
+C42038918_decoy,-5.221363283252204
+C45549159_decoy,-7.238933865247532
+C47477568_decoy,-6.966794310953776
+C49018956_decoy,-5.308304807030877
+C49201356_decoy,-4.1926810683408
+C50224081_decoy,-4.583239270795583
+C54397100_decoy,-7.50913859371448
+C58570285_decoy,-5.515638972953826
+C61367381_decoy,-4.652078417565569
+C61592495_decoy,-6.789931806179398
+C62100034_decoy,-3.7237584874727023
+C63084217_decoy,-4.934068547727909
+C63141182_decoy,-6.898132215347129
+C63763306_decoy,-6.249584992439774
+C65018384_decoy,-5.883971535901551
+C65384275_decoy,-6.423595780604412
+C65530026_decoy,-6.41218232319924
+C65787378_decoy,-5.620640139698354
+C67163680_decoy,-5.612030723303997
+C01614032_decoy,-4.601391763825037
+C03191756_decoy,-5.031306769829683
+C06541743_decoy,-5.97163500673644
+C10790033_decoy,-5.054660075722323
+C13229426_decoy,-6.073027295655302
+C15859742_decoy,-5.739521551916182
+C24238984_decoy,-5.002807379556685
+C24437520_decoy,-6.519681325955021
+C31454913_decoy,-5.1238042938477575
+C35781928_decoy,-5.766523327998909
+C37562220_decoy,-6.86690504474225
+C38062913_decoy,-6.802344078930014
+C39862246_decoy,99.0
+C41633063_decoy,-5.150978959421186
+C42196102_decoy,-6.798575216920134
+C48914160_decoy,-2.840436485099626
+C50672791_decoy,-5.173444676867795
+C55189014_decoy,99.0
+C58165232_decoy,-6.349821234786487
+C61809630_decoy,-7.165780284879148
+C62832280_decoy,99.0
+C64886993_decoy,-4.911944145569051
+C67266237_decoy,-5.450915955419723
+CHEMBL350298_active,-7.635997844474656
+C01850155_decoy,-5.292182580868253
+C03871140_decoy,-5.0495864081787465
+C05707208_decoy,-5.442648415813641
+C06509800_decoy,-6.817340065550388
+C07040220_decoy,-4.689664152071368
+C08694865_decoy,-5.117362015684632
+C12715882_decoy,-8.146771762639496
+C17001194_decoy,-5.578914204211932
+C17027529_decoy,-3.986372273856279
+C24979493_decoy,-7.138244387020159
+C37195397_decoy,-6.4098007351799104
+C37671921_decoy,-3.688193898137975
+C37718545_decoy,-7.131447198650521
+C41070006_decoy,-5.872622162355177
+C41071735_decoy,-6.066356290775419
+C42196081_decoy,-8.949107682591833
+C54441053_decoy,-4.90016255848649
+C56850337_decoy,-6.37997427944671
+C60604325_decoy,-4.193195653540909
+C61626856_decoy,-3.741414413179284
+C62775321_decoy,-3.39805098739235
+C62868469_decoy,-3.634662226807415
+C63695136_decoy,-4.928505726900253
+C66144440_decoy,-4.995901903087044
+C66586109_decoy,-6.771151448311275
+C67070617_decoy,-5.726116068966671
+C67463657_decoy,-5.742604167974308
+C02927900_decoy,-6.947180828398527
+C13783254_decoy,-3.873570789874429
+C15038262_decoy,-5.343504710653687
+C19852155_decoy,-3.836082975435005
+C28201670_decoy,-6.633246594099613
+C38037956_decoy,-5.864718944631394
+C38798901_decoy,-4.552111628389106
+C41070083_decoy,-9.114186398654216
+C42356584_decoy,-4.688639361393446
+C42872758_decoy,-5.6366307097714845
+C44465371_decoy,-8.738686087982071
+C49211003_decoy,-4.184072324214526
+C49625417_decoy,-6.920451234370545
+C51119762_decoy,-7.622952766517324
+C58279638_decoy,-6.596753014502918
+C58367222_decoy,-5.373542245901993
+C58994814_decoy,-7.178816621732288
+C61360527_decoy,-8.729686879289856
+C61893975_decoy,-5.8171336096058095
+C62098969_decoy,-5.591708183328154
+C62815344_decoy,-10.006464113192951
+C63020674_decoy,-7.415911990492365
+C65862023_decoy,-5.801336342209078
+C66229499_decoy,-5.742012654921512
+C66582509_decoy,-4.912929895962082
+C66640864_decoy,-7.107434643681401
+C67344921_decoy,-5.808768925882997
+C02379093_decoy,-5.929623159799674
+C03839540_decoy,-6.43565339672824
+C08073903_decoy,-7.263271331848943
+C13237668_decoy,-6.120178836052327
+C13407831_decoy,-5.616393651897607
+C19894297_decoy,-4.281698307491083
+C20249664_decoy,-5.4955093800976025
+C20412614_decoy,-4.248307620311521
+C26272195_decoy,-5.4538095146574985
+C37270373_decoy,-6.033940135490082
+C38665033_decoy,-4.2830609629070056
+C39567582_decoy,-5.99244958462303
+C40378185_decoy,-3.970925375798827
+C44170547_decoy,-4.715686221111527
+C50351336_decoy,-7.052798031476067
+C61595605_decoy,-5.252066946650023
+C61633566_decoy,-5.691138086818328
+C65394682_decoy,-5.291623770328182
+C66241619_decoy,-5.069032870731146
+C67579423_decoy,-6.25326959421704
+CHEMBL317571_active,-7.034128648589724
+C02952859_decoy,-3.411067233595696
+C03369756_decoy,-4.340076670506421
+C03898168_decoy,-4.6903797384997175
+C04453935_decoy,-5.475191388408725
+C05247506_decoy,-6.686364590742411
+C05988369_decoy,-3.958765022705829
+C13195818_decoy,-5.413894454882216
+C13739586_decoy,-6.250689881895437
+C15699412_decoy,-5.378043639191621
+C19216705_decoy,-4.253626982581334
+C20922993_decoy,-5.385069190499182
+C22520400_decoy,-6.155945681869965
+C22727195_decoy,-5.791603968757839
+C25406571_decoy,-7.035577318544215
+C32605539_decoy,-5.539222268957834
+C36802302_decoy,-5.020059218779166
+C39326560_decoy,-6.329961667147266
+C40736733_decoy,-5.889333232249096
+C45664957_decoy,-6.599576703539543
+C48921603_decoy,-7.142182106592797
+C50398157_decoy,-5.85231295856376
+C61809065_decoy,-6.790016043590225
+C61963530_decoy,-6.383560536824502
+C63498538_decoy,-5.798441819673064
+C66143107_decoy,-5.9417158360804265
+C66783465_decoy,-8.153782941731635
+CHEMBL311059_active,-5.186005708069088
+C00002158_decoy,-4.671183751340199
+C01238603_decoy,-3.613359161719611
+C06989679_decoy,-5.7803743367097855
+C22066935_decoy,-4.972079646203114
+C35763504_decoy,-3.5765737718262707
+C37373396_decoy,-6.609899145019554
+C38062611_decoy,-4.935807431111389
+C38082999_decoy,-5.797639237893336
+C39012047_decoy,-4.821955580506877
+C40860801_decoy,-9.896131140384554
+C42711313_decoy,-6.115341564003689
+C44687011_decoy,-7.537862258342803
+C46867352_decoy,-4.260511062307793
+C48343369_decoy,-4.446884556955275
+C49101465_decoy,-3.6438167303110425
+C49474730_decoy,-5.086736218383676
+C49547907_decoy,-3.94889964535956
+C50265331_decoy,-6.4745900858013465
+C50420231_decoy,-7.756629202733616
+C50669703_decoy,-3.5940644141506457
+C51036690_decoy,-5.29588664462228
+C51119055_decoy,-5.911296874565889
+C63190144_decoy,-6.037021807971742
+C63270913_decoy,-4.113451895727299
+C64348056_decoy,-7.0709385793619255
+C65622636_decoy,-7.503697950411576
+C66650126_decoy,-5.923789524809782
+C67137652_decoy,-4.571416234572971
+C67463079_decoy,-4.690719660552827
+CHEMBL348066_active,-7.515093081764849
+CHEMBL55440_active,-6.808388202488175
+C00876071_decoy,-6.458854445208096
+C01303313_decoy,-6.279074113893406
+C03999319_decoy,-5.385095016934186
+C05217281_decoy,-4.77577756438663
+C06409085_decoy,-5.533215774388384
+C10891617_decoy,-6.578618030115385
+C13119383_decoy,-6.5443867274993694
+C13401953_decoy,-7.55416596058361
+C17257120_decoy,-4.225261566351964
+C23379552_decoy,-4.778943170821932
+C32910200_decoy,-4.368967786285105
+C35612081_decoy,-2.820595691306917
+C36964225_decoy,-5.092959186180469
+C37728902_decoy,-7.505101645964988
+C42711310_decoy,-6.114562743103276
+C44924196_decoy,-5.978147795591094
+C45015489_decoy,-5.840343543260111
+C45937171_decoy,-4.149527133098685
+C48624632_decoy,99.0
+C48741780_decoy,-5.721717004548207
+C50588316_decoy,-6.338175936622942
+C50658962_decoy,-6.920010819574705
+C51638116_decoy,-5.4212490354156575
+C61592834_decoy,-4.1992292000164175
+C61872453_decoy,-5.152186497127259
+C63136094_decoy,-4.523805512344144
+C65201625_decoy,-6.284326835728786
+C67313591_decoy,-6.620196841770762
+C05613337_decoy,-4.513062283941868
+C05616370_decoy,-6.05140121476539
+C13218920_decoy,-6.00685088342383
+C20395335_decoy,-4.97623629862092
+C20527186_decoy,-4.381454374032525
+C20922074_decoy,-6.30316069127099
+C22520403_decoy,-4.973573997753165
+C27911554_decoy,-4.340597597602551
+C32579319_decoy,-6.445163817219806
+C35797345_decoy,-6.95932186426582
+C36820237_decoy,-6.85693229492508
+C36867356_decoy,-5.258142913846685
+C37471361_decoy,-7.358624358696447
+C37625950_decoy,-5.83417370844067
+C40088568_decoy,-5.260558531041188
+C42015356_decoy,-4.620297010605943
+C42079498_decoy,-2.970152275776548
+C42806559_decoy,-5.282464197261243
+C43509305_decoy,-4.916656376663011
+C44891412_decoy,99.0
+C46630871_decoy,-6.414527339781949
+C47422751_decoy,-5.736160679170125
+C49128409_decoy,-6.0897193231567
+C50660515_decoy,-6.147910572255897
+C59293877_decoy,-5.411186869437988
+C61323365_decoy,-5.084138756654594
+C63315828_decoy,-4.705811754288527
+C67263074_decoy,-5.546097645061021
+C67469801_decoy,-6.456413875653303
+C67483821_decoy,-5.475296279245572
+C02570960_decoy,-4.513760654077383
+C02616723_decoy,-7.665018545949171
+C04207228_decoy,-4.255805368872048
+C04478179_decoy,-5.736269772845207
+C06312119_decoy,-5.521544381063762
+C13121859_decoy,-4.328593298574626
+C13206589_decoy,-6.295648569570267
+C15699414_decoy,-5.477240574053954
+C16487704_decoy,-5.901790197928772
+C20945704_decoy,-5.465729499336077
+C35453597_decoy,-3.9484776421184895
+C35935887_decoy,-4.720967086959978
+C36929827_decoy,-5.469497003324299
+C37553105_decoy,-5.909357915062651
+C38008826_decoy,-6.03610992377869
+C39946996_decoy,-3.45656917566321
+C40046345_decoy,-6.535534861499427
+C43165987_decoy,-6.120017973470997
+C46658274_decoy,-6.159345631447576
+C49083227_decoy,-4.673997596645588
+C51638208_decoy,-5.013405156689389
+C54632257_decoy,-6.59534584922183
+C62789409_decoy,99.0
+C63743086_decoy,-4.341217994191903
+C63864069_decoy,-4.811778770637464
+C64428879_decoy,-5.036691735989326
+C67427664_decoy,-5.060486221480957
+C02321181_decoy,-4.575137112059899
+C06243658_decoy,-4.416697709998447
+C11736975_decoy,-5.796797903715733
+C12502870_decoy,-7.16686598568755
+C12550714_decoy,-6.793144829203606
+C15899666_decoy,-3.730720644445256
+C31958542_decoy,-5.818209702711743
+C35391922_decoy,-3.5643534666900187
+C40219122_decoy,-4.753788169239841
+C40369616_decoy,-4.727480015416782
+C40852007_decoy,-7.991246507853427
+C42356874_decoy,99.0
+C43400939_decoy,-5.52722112732179
+C44170760_decoy,-5.166008592528893
+C45089070_decoy,-8.400409289011346
+C50253075_decoy,-7.197777333236865
+C50478120_decoy,-4.500614892919217
+C55169181_decoy,-3.791612093168719
+C61594500_decoy,-4.294436505350812
+C63171158_decoy,-7.196373571149072
+C66052236_decoy,-4.1899317797455735
+C66222242_decoy,-5.73428805478523
+C66654302_decoy,-4.775697664288295
+C01512608_decoy,-4.320967874562496
+C05766209_decoy,-5.256641018611008
+C08782790_decoy,-5.731118489869664
+C09229622_decoy,-3.831257342889556
+C09500521_decoy,-4.40329160726243
+C12863077_decoy,-5.856424676431681
+C20459412_decoy,-5.599560310335467
+C21172570_decoy,-5.263444380310937
+C28050415_decoy,-5.693981943394899
+C28717595_decoy,99.0
+C32754066_decoy,-5.639731815324157
+C35108657_decoy,99.0
+C35359329_decoy,-7.231005329124217
+C37024659_decoy,-5.58192829032842
+C37629580_decoy,-6.070158428749492
+C39345076_decoy,-6.015265396571581
+C39546557_decoy,-6.779264645777035
+C39959170_decoy,-4.485604420852448
+C40531829_decoy,-5.58783309929149
+C40947164_decoy,-6.642856815880663
+C49234336_decoy,-5.038017208777715
+C49459454_decoy,-5.404894785701479
+C49560615_decoy,-8.817551006516537
+C50397988_decoy,-5.760693843066775
+C51095510_decoy,-4.495441838673098
+C51150241_decoy,-4.057618530137924
+C54132898_decoy,-4.856879337691732
+C56569827_decoy,-6.666714580494723
+C61304915_decoy,-5.037395487785818
+C66238913_decoy,-7.264114052350305
+C66558351_decoy,-5.541919854069428
+C67043877_decoy,-5.907888382223234
+CHEMBL22349_active,-7.004044897294103
+C02858052_decoy,-6.896329206541239
+C08745864_decoy,-6.045778827361511
+C09419529_decoy,-5.302868925415192
+C12940857_decoy,-5.109399162906565
+C13270853_decoy,99.0
+C13523630_decoy,-6.183172157585491
+C20921961_decoy,-6.463450340874917
+C24699773_decoy,-4.470059350191604
+C33633872_decoy,-4.582432074314511
+C35383095_decoy,-5.363875516799212
+C37580892_decoy,-6.113817353833343
+C37732095_decoy,-6.477347975615092
+C42809545_decoy,-5.230932656379504
+C44977361_decoy,-4.049078602736927
+C45063724_decoy,-5.663503956045726
+C45859806_decoy,-5.881826387707777
+C48001527_decoy,-6.039697653299819
+C49512407_decoy,-4.154195786749366
+C49724448_decoy,-6.722536995168172
+C50398374_decoy,-4.359569266037767
+C50417283_decoy,-3.3366830120435216
+C50602171_decoy,-7.055310645791783
+C53118347_decoy,-6.032409573808749
+C61720137_decoy,-5.54763428406276
+C63020673_decoy,-7.148310252738614
+C67073783_decoy,-4.541129717724187
+C00404252_decoy,-4.886358484858994
+C01629843_decoy,-4.475708168944704
+C02239905_decoy,-3.475508919975793
+C02662364_decoy,-4.428916121553683
+C04083751_decoy,-3.3421797738175107
+C04823105_decoy,-4.834820657924607
+C05412519_decoy,-5.440521963094044
+C08347897_decoy,-6.3817043501817095
+C17027349_decoy,-4.2835077529528265
+C33590982_decoy,-4.010124977680291
+C35679190_decoy,-6.27598152290048
+C36231607_decoy,-3.6762765920506775
+C37036988_decoy,-7.0819978948486
+C37137050_decoy,-5.216210199589967
+C37411597_decoy,-5.164008656393035
+C37471514_decoy,-6.922225545468312
+C37635875_decoy,-4.159894603054399
+C39371306_decoy,-4.88605481356663
+C39795778_decoy,-4.96555209709986
+C40659086_decoy,-6.41053893936927
+C41074898_decoy,-4.195441434751418
+C44166978_decoy,99.0
+C44928305_decoy,-5.256069823428407
+C44984978_decoy,-4.976667359531755
+C48601926_decoy,-5.303023072611047
+C48952926_decoy,-4.7340536494431085
+C49285501_decoy,-6.859068992709421
+C50265117_decoy,-4.060425872853058
+C50657254_decoy,-6.311559593058466
+C50705440_decoy,-3.908726491906064
+C51017716_decoy,-6.583180674499342
+C58997113_decoy,-4.172844812463378
+C60409762_decoy,-5.686626715189089
+C61594150_decoy,-4.037022315455385
+C65454055_decoy,-6.082052226192803
+C67310996_decoy,-6.812520965942201
+C00897225_decoy,-4.878516380331149
+C02948510_decoy,-4.758985384432906
+C05121279_decoy,-3.565966171848724
+C06945623_decoy,-6.023118646568839
+C08229659_decoy,-5.68132497518607
+C16919964_decoy,99.0
+C18806016_decoy,-3.8324950387356567
+C23881183_decoy,-5.775820888681783
+C37568647_decoy,-4.68756453925014
+C39555231_decoy,-5.607954504778956
+C40506050_decoy,-3.947833452021812
+C40757197_decoy,-7.119543382217139
+C44781644_decoy,-7.81145965026963
+C45868721_decoy,-5.658647569723868
+C48482503_decoy,-5.861236541082291
+C49026549_decoy,-4.301968776841104
+C50213267_decoy,-3.852111694265446
+C50466023_decoy,-5.507169061903723
+C51092518_decoy,-5.200800984312867
+C65593716_decoy,-7.500306499117904
+C00074885_decoy,-4.8143170428031405
+C00526651_decoy,-4.800561313486695
+C01279220_decoy,-4.256105112392321
+C04743789_decoy,-3.015208555877375
+C13394367_decoy,-6.7342101628362565
+C17377250_decoy,-4.610889116275055
+C35781922_decoy,-6.171057211294513
+C35797339_decoy,-4.816574675514184
+C36366864_decoy,-4.6371596034669365
+C39777119_decoy,-6.399547950431529
+C42190652_decoy,-3.940052725820757
+C50323491_decoy,-5.417734628343416
+C50654695_decoy,-6.687157733957405
+C51667785_decoy,-6.809762128336231
+C63069496_decoy,-4.85873833182738
+C64534381_decoy,-6.174449470739146
+C65440918_decoy,-5.720312319610232
+C65978650_decoy,-5.666332005525966
+C00545821_decoy,-4.405787722728922
+C01645396_decoy,-6.218632860599047
+C02180971_decoy,-7.6500720940642335
+C03156870_decoy,-5.628085572666143
+C04546648_decoy,-5.961261411142053
+C05938373_decoy,-3.96686698143578
+C14060294_decoy,-3.478807564816341
+C19835208_decoy,-5.148383589157784
+C20436257_decoy,-3.770412929168182
+C21011792_decoy,-5.615460467134104
+C21018168_decoy,-4.561997915613021
+C21954410_decoy,-7.354973909366032
+C24773728_decoy,-7.294461007507807
+C32221280_decoy,-6.523943959417803
+C35692540_decoy,-5.56935501915739
+C37405909_decoy,-5.5330465423856445
+C37557766_decoy,-7.696425287749157
+C40330177_decoy,-4.133736756692012
+C42374362_decoy,-5.46401957632546
+C43593074_decoy,-6.198011347777481
+C43600361_decoy,-4.7712172808060345
+C48857542_decoy,-4.332238127182961
+C50674107_decoy,-5.758734164989735
+C54027629_decoy,-6.65974775962632
+C63007471_decoy,-5.2477377149776965
+C63154530_decoy,-7.123468961883665
+C63808585_decoy,99.0
+C63912846_decoy,-6.405724927783774
+C64643441_decoy,-4.431754897927957
+C67119266_decoy,-4.087091013196109
+C02263570_decoy,-7.206243915510854
+C05387146_decoy,-5.653177643515985
+C06072753_decoy,-4.691173306327604
+C07502831_decoy,-3.586637431458661
+C13034964_decoy,-4.9663456742117145
+C14093752_decoy,-4.54378306130496
+C15223563_decoy,-5.379243437149017
+C17380179_decoy,99.0
+C35205424_decoy,-7.4021756679732285
+C35666738_decoy,-6.745234607550811
+C38062600_decoy,-3.6385142544113056
+C38787567_decoy,-5.650243680216345
+C39733098_decoy,-5.781376183381247
+C41069917_decoy,-7.213989763321104
+C43553730_decoy,-6.4185052202548825
+C44977337_decoy,-6.2840674235251015
+C45597887_decoy,-7.72293492962056
+C48035697_decoy,-5.413336626186156
+C52726288_decoy,-5.15288645761444
+C56924442_decoy,-4.493453609466782
+C61464306_decoy,-6.286123346955409
+C61992584_decoy,-6.747901613579924
+C63136095_decoy,-6.560097953382413
+C65372051_decoy,-3.9953844018525086
+CHEMBL147283_active,-7.733242571429766
+C22130303_decoy,-5.477909646464978
+C22972818_decoy,-6.80488369159357
+C37660375_decoy,-6.509037769443562
+C37744397_decoy,-5.58634413902205
+C47162663_decoy,-5.87030102318453
+C48877755_decoy,-4.728403868155604
+C49347895_decoy,-5.063864282995355
+C50705419_decoy,-3.4021079681371726
+C50776265_decoy,-4.6246327659806274
+C51123910_decoy,-5.98552117965881
+C51355189_decoy,-7.0250810485650055
+C53516845_decoy,-6.419616070468397
+C55282599_decoy,-5.116500946264443
+C59461803_decoy,-6.053624856185381
+C62272492_decoy,-5.223136157192949
+CHEMBL442774_active,-7.5105322943343165
+C02537103_decoy,-4.359270910022227
+C18467188_decoy,-5.359815323503153
+C19819315_decoy,-4.17517485379072
+C31163413_decoy,-7.583286651789737
+C37809637_decoy,-8.39393768002424
+C40385250_decoy,99.0
+C41632771_decoy,-4.812672647240667
+C41706697_decoy,-5.483473386315896
+C44608841_decoy,-4.467516911941646
+C46656203_decoy,-4.818508808993848
+C48261060_decoy,-5.63589661413257
+C48822037_decoy,-6.514895017763402
+C48869856_decoy,-5.244776902858576
+C51347577_decoy,-6.497754795971196
+C53110034_decoy,-5.309133833701831
+C56075401_decoy,-5.535140542058024
+C61592334_decoy,-5.086331908465366
+C63078559_decoy,-6.848511960186389
+C64899559_decoy,-6.223700863583996
+C01840680_decoy,99.0
+C04496389_decoy,-3.8915241905177824
+C04739060_decoy,-5.775507185258135
+C06759726_decoy,-5.790460975448463
+C11635343_decoy,-6.560689065110649
+C12113434_decoy,-5.455273097383698
+C15044704_decoy,-6.516957671093263
+C21786724_decoy,-3.829591382237818
+C25000774_decoy,-5.53079279098626
+C35355707_decoy,-3.4445090368862368
+C37064342_decoy,-4.215128693309127
+C37934315_decoy,-6.250112844339334
+C39327068_decoy,-7.595975683873811
+C40376888_decoy,-5.940045648996904
+C40734264_decoy,-5.77704489132662
+C41083932_decoy,-4.954467311374622
+C44288052_decoy,-5.541164432273388
+C44566346_decoy,-3.8443773819249194
+C44931532_decoy,-7.239013998994253
+C48399291_decoy,-4.194279770298652
+C49023140_decoy,-6.40644147668592
+C50662028_decoy,-5.61070574891825
+C50770245_decoy,-4.683202737635282
+C55166052_decoy,-3.931263506385602
+C63244972_decoy,-5.609089966749659
+C02859854_decoy,-5.452353282728001
+C05976110_decoy,99.0
+C23388177_decoy,-4.876466968591161
+C35082956_decoy,-4.721747902537116
+C37920441_decoy,-4.338309878325941
+C40084799_decoy,-7.1699263969784655
+C40215644_decoy,-5.3078205920487065
+C45800071_decoy,-5.057459599295774
+C45801435_decoy,-6.810554671135768
+C51088431_decoy,-5.675720887351852
+C51789012_decoy,-6.89079326342356
+C51808618_decoy,-5.476123915989182
+C51808854_decoy,-5.396022349455667
+C59832406_decoy,-5.662306199238834
+C61462855_decoy,-6.271572317088255
+C61720381_decoy,-5.497821251063479
+C66120145_decoy,-5.73059473606149
+CHEMBL22943_active,-4.420769748122588
+C01900390_decoy,-5.622373511439464
+C05274055_decoy,-3.720330898654844
+C05707095_decoy,-4.653673853131651
+C06505131_decoy,-5.270247238875283
+C20113825_decoy,99.0
+C26845244_decoy,-6.105905599583237
+C37456705_decoy,99.0
+C37744351_decoy,-3.8370217500256887
+C40082973_decoy,-5.247540734693564
+C44780638_decoy,-8.29262930710364
+C46498733_decoy,-5.40923825043536
+C58332753_decoy,99.0
+C63101560_decoy,-5.7609846141234735
+C63154003_decoy,-7.504292107757136
+C64512136_decoy,-4.753950071553352
+C65622736_decoy,-4.964126800280011
+C01701069_decoy,-5.59684476435587
+C02293783_decoy,-5.344977430269692
+C03073385_decoy,-5.573296450253567
+C04522668_decoy,-4.40977250340682
+C09164626_decoy,-4.254749813225065
+C13543978_decoy,-5.967628749375296
+C13800424_decoy,-5.205433778295441
+C28658357_decoy,-5.48243709323725
+C37009307_decoy,-3.9648643976962656
+C37367437_decoy,-5.136860701337121
+C40347153_decoy,-5.880037871717838
+C40381450_decoy,-3.951715982807968
+C40457047_decoy,-4.202178944470268
+C41545230_decoy,-4.774136286622517
+C41547008_decoy,-4.448455860453243
+C42358169_decoy,-5.213964161078401
+C45048994_decoy,99.0
+C54528127_decoy,-6.155093859930579
+C63007427_decoy,-3.678074757319812
+C63084228_decoy,-4.9906689318528645
+C65834357_decoy,-5.024278289879642
+C66134283_decoy,-6.060721665431261
+C66445504_decoy,99.0
+C67050853_decoy,-6.036189775921249
+C67642388_decoy,-6.356888616967234
+CHEMBL73669_active,-6.245505419397551
+C02771463_decoy,99.0
+C04720766_decoy,-6.174521695693404
+C19425411_decoy,-7.622515219132281
+C20506047_decoy,-6.645289948332137
+C32908394_decoy,-8.050061113347748
+C35611808_decoy,-3.9240762758791177
+C35692527_decoy,-4.628154599230121
+C36250540_decoy,-8.953818975213174
+C38050446_decoy,-5.570617926692851
+C40785028_decoy,-5.714511191901585
+C42528990_decoy,-7.3712299596310595
+C43461225_decoy,-6.821605556183905
+C43503849_decoy,-4.200593795899492
+C44781675_decoy,-7.60527035168095
+C44928118_decoy,99.0
+C45095638_decoy,-6.975962674627668
+C45549584_decoy,-6.405994840411726
+C49045709_decoy,-4.801547154417711
+C50397236_decoy,-4.475317551528788
+C61627159_decoy,-5.179768557447568
+C63007428_decoy,-3.782170257519637
+C66626476_decoy,-5.387252051895187
+CHEMBL350474_active,99.0
+CHEMBL70936_active,-6.726971605521734
+C06765351_decoy,-2.8669989668806344
+C26150637_decoy,-6.892662169822689
+C36839006_decoy,-4.311627020223091
+C37330935_decoy,-6.405948205252005
+C40347143_decoy,-5.664828168285842
+C40348067_decoy,-5.5955879789335405
+C41832863_decoy,-6.430564397473901
+C48602279_decoy,-5.669816189735995
+C49512374_decoy,-6.376856938667742
+C50350922_decoy,-5.508950982579285
+C50397371_decoy,-5.1262836819322
+C51088946_decoy,-4.029477104211675
+C52290176_decoy,-6.008848374731842
+C66556835_decoy,-4.5390184809271945
+C67340667_decoy,-5.284540502202426
+C02569715_decoy,-5.383823756866244
+C12928902_decoy,-5.205435750608587
+C13025120_decoy,-5.642200980024184
+C17002114_decoy,-4.730711071234024
+C22024174_decoy,-5.33807378495437
+C36983582_decoy,-5.336448021292219
+C40708253_decoy,-4.021271755481768
+C40783940_decoy,-6.839170378207304
+C41013841_decoy,-7.198149521826782
+C44977358_decoy,-4.359522979756056
+C44988290_decoy,-4.735394239418772
+C46630846_decoy,-6.295919706565752
+C47251721_decoy,-3.6000273053014333
+C47872181_decoy,-6.148774795167311
+C48749277_decoy,-5.322382042617464
+C50058490_decoy,-4.07352490797771
+C55334564_decoy,-4.432190943082727
+C57260788_decoy,-6.197268407068339
+C61411638_decoy,-4.793599898067575
+C61499891_decoy,-5.978795640384549
+C62924702_decoy,-5.228650275413732
+C63763427_decoy,99.0
+C00174713_decoy,-2.8705108918811044
+C00851034_decoy,-5.112892666771637
+C04934160_decoy,-3.979197023716509
+C15909161_decoy,-4.422254623952282
+C19735357_decoy,99.0
+C20301858_decoy,-6.513631645789422
+C36262169_decoy,-3.964410828930532
+C37037628_decoy,-6.939497038475428
+C37407629_decoy,-4.717865974032222
+C37515019_decoy,-5.861912962329704
+C37629335_decoy,-5.727088243631958
+C39862164_decoy,-5.824573290939641
+C41158491_decoy,-3.924627857299755
+C42547979_decoy,-6.094152218733667
+C45622468_decoy,-4.363204452090213
+C45728181_decoy,-3.514517983931289
+C50430823_decoy,-5.572470162697727
+C51818874_decoy,-4.041594651195607
+C61360422_decoy,-6.234196179355287
+C62378509_decoy,-4.230766220007687
+C62822883_decoy,-5.640461312499401
+C63101567_decoy,-5.991829726630446
+C02782014_decoy,-5.915684847006729
+C03351767_decoy,-3.908387779965187
+C05052365_decoy,-3.5365593319107798
+C12082294_decoy,-4.681200998479444
+C15552414_decoy,-5.656532318217098
+C19427051_decoy,-5.368875448642446
+C33327120_decoy,-5.917043269905278
+C36972279_decoy,-5.381458779841993
+C40429238_decoy,-4.934144059488925
+C41071133_decoy,-4.695187180241266
+C42044404_decoy,-3.8598114491948703
+C42068775_decoy,-4.060321835015038
+C42195088_decoy,-5.738446457010081
+C49061577_decoy,-5.535695430986082
+C54363404_decoy,-6.271325485849783
+C55168198_decoy,-5.204484704034864
+C59016856_decoy,-6.571900638583346
+C61844709_decoy,-3.62463262477148
+C64236576_decoy,-4.986725997037563
+C66394353_decoy,-7.826135112562481
+C67071804_decoy,-4.83297505348716
+C67585786_decoy,-4.915687951657688
+C00134008_decoy,-5.149527859108096
+C04207229_decoy,-4.345649352554364
+C05826326_decoy,99.0
+C13005080_decoy,-6.232517402592625
+C13262221_decoy,-6.730064048633838
+C16029520_decoy,-4.5153267393628695
+C35609673_decoy,-5.487093751087794
+C35691956_decoy,-5.149317279368995
+C36358875_decoy,-4.011930309314627
+C36611787_decoy,-6.074040082263981
+C37130687_decoy,-7.114847584693647
+C37407478_decoy,-5.779615328943748
+C39328328_decoy,-5.6199933916843845
+C40081601_decoy,-7.180133157336149
+C41158752_decoy,-3.551518267872434
+C48731749_decoy,-4.175859488043579
+C49004934_decoy,-6.719903132108953
+C49422682_decoy,-5.500080633849952
+C50665792_decoy,-5.201784419600504
+C51090462_decoy,-5.777973683112123
+C61489370_decoy,-6.341919653663153
+C62096984_decoy,-5.242358739227325
+C63084188_decoy,-7.970142979134797
+C65571047_decoy,-5.2739757177399245
+C67566854_decoy,-6.217627103195338
+C02856785_decoy,-5.979427248864993
+C05495944_decoy,99.0
+C06764369_decoy,-5.363606072661117
+C12538464_decoy,-5.344551894286482
+C14660003_decoy,-6.446006406867877
+C19764213_decoy,-5.196124098396508
+C20898948_decoy,-4.377582229554984
+C24056249_decoy,-5.262411157263751
+C34779732_decoy,-5.856519821031005
+C37409911_decoy,-5.242475065218805
+C37433678_decoy,-5.629436876108112
+C40348588_decoy,-4.1864899598029055
+C40658939_decoy,-4.6166950496142345
+C40723729_decoy,-4.102187808772366
+C41158768_decoy,-3.1333031794859125
+C44728806_decoy,-3.8714970829452415
+C47002820_decoy,-4.700907852867164
+C47499074_decoy,-6.774036212999394
+C48430566_decoy,-6.475991577961066
+C48954337_decoy,-5.297704926718094
+C52212787_decoy,-6.538778581323799
+C55302513_decoy,-4.003933778174007
+C61948908_decoy,-4.023403886861082
+C64882968_decoy,-5.474039839303354
+C67004718_decoy,-5.429339659013475
+C67087912_decoy,-6.1356481769067885
+C01655055_decoy,-5.534648082568549
+C02525170_decoy,-5.544369423972289
+C04983458_decoy,-4.9260725037136375
+C05344125_decoy,-4.138458767223921
+C05993325_decoy,-5.559065185119391
+C09668062_decoy,-4.370656361770545
+C14331176_decoy,-5.187253066110099
+C17130752_decoy,-6.863942917661611
+C19261934_decoy,-8.069477734484334
+C19423897_decoy,99.0
+C20020040_decoy,-3.9336351540687033
+C32913755_decoy,-4.809271401088616
+C35358127_decoy,-7.88742084692763
+C36863279_decoy,-7.054229372137811
+C37037030_decoy,-4.852018341853917
+C38995117_decoy,-5.761463307787244
+C40830864_decoy,-5.434785816365294
+C43554235_decoy,-6.767871598643155
+C45011917_decoy,-5.048774848720613
+C45999891_decoy,-5.766954941882831
+C46241611_decoy,-6.537407911043758
+C51718157_decoy,-5.44326237482854
+C54049915_decoy,-3.5417331055970926
+C62100364_decoy,-4.686854585354133
+C63143333_decoy,-4.892994408756123
+C66625842_decoy,-6.18859316056969
+C05138985_decoy,-5.576008253667279
+C19269959_decoy,-4.954332563195942
+C20395165_decoy,-6.069666177688106
+C31966065_decoy,-5.61763842898029
+C32932232_decoy,-6.7343092231875605
+C35023551_decoy,-5.922546674448831
+C35797359_decoy,-6.429225834912993
+C37919952_decoy,-4.8560640090264044
+C37920855_decoy,-8.203888222849482
+C40347176_decoy,-4.041798553303703
+C40680648_decoy,-3.6559289711701295
+C44284677_decoy,-3.5337703732892964
+C45009730_decoy,-4.869314005309497
+C46306399_decoy,-5.284109119755728
+C49053847_decoy,-4.418447196901761
+C50633959_decoy,-6.148755412628287
+C62032034_decoy,-7.606002519736676
+C62858607_decoy,-6.849960869659965
+C64643360_decoy,-5.258624052143674
+C65513878_decoy,-5.08958973507933
+C67509090_decoy,-5.217682859643468
+CHEMBL79499_active,-7.052441398158891
+C01668769_decoy,99.0
+C02727906_decoy,-5.556800785815452
+C03042603_decoy,-3.98164158552324
+C06627868_decoy,-5.148111318543569
+C08878064_decoy,-4.48963206195052
+C19689723_decoy,-3.179269407280278
+C20113089_decoy,-4.657690758674022
+C24609998_decoy,-5.2646392503710455
+C35085410_decoy,-5.611079551272484
+C35935889_decoy,-4.274748689335968
+C37451346_decoy,-5.845005607968825
+C40348342_decoy,99.0
+C40523702_decoy,-3.855901989985814
+C40581420_decoy,-6.78812449613377
+C40698564_decoy,-6.336318117414943
+C40997441_decoy,-4.833737937116473
+C41118921_decoy,-4.318034629630239
+C42525847_decoy,-5.833420496264202
+C44257791_decoy,-5.693029386030594
+C48858509_decoy,-5.436038898309636
+C50672611_decoy,-6.520784749452535
+C51129095_decoy,-4.341721990133223
+C53746767_decoy,-4.784257916712516
+C59880098_decoy,-6.156203429714776
+C61717920_decoy,-7.064428049464433
+C66277028_decoy,-7.2686824372641
+C66664031_decoy,-6.2738909276372805
+C67389029_decoy,-3.4635121396488464
+C00108618_decoy,-5.048968338469113
+C02579057_decoy,-5.399432220297517
+C02999156_decoy,-5.668751717962398
+C04001717_decoy,-6.223060064588302
+C04185238_decoy,-4.516285109889404
+C13449800_decoy,-6.285215608751077
+C16576425_decoy,-4.3550135090021005
+C18516651_decoy,-7.117093101398043
+C35797377_decoy,-3.854835548059301
+C37744403_decoy,-3.341747621409126
+C40516982_decoy,-4.428320824367645
+C44258589_decoy,-4.62698471730065
+C49554825_decoy,-6.378046459566741
+C49834785_decoy,-5.782716884273821
+C50215335_decoy,-4.276749023423837
+C50305957_decoy,-3.251764742839632
+C51115731_decoy,-4.117484553061259
+C51122016_decoy,-4.979351850282392
+C59015834_decoy,-5.112677863482452
+C63130572_decoy,-4.677705025771061
+C01280171_decoy,-5.9945275824948165
+C04291865_decoy,-5.546605381229968
+C16546004_decoy,-2.993726692224398
+C20906803_decoy,-5.568147522719441
+C36395158_decoy,-5.635094597701642
+C36556663_decoy,-4.351685080687584
+C37407812_decoy,-3.7747577693623833
+C37548099_decoy,-4.080640663162557
+C40514012_decoy,-5.918089305479319
+C40715525_decoy,-4.448460821146357
+C40814215_decoy,-5.3898678158542
+C40818795_decoy,-4.937183046331656
+C41068162_decoy,-5.432410544607024
+C42426711_decoy,-7.849667176449757
+C47633293_decoy,-7.529474930416038
+C50222802_decoy,-5.147809807753029
+C53042398_decoy,-4.93247914332975
+C58277421_decoy,-5.075754272941824
+C63858212_decoy,-6.284885300856697
+C64427792_decoy,-5.558424750221108
+C65206482_decoy,-7.183262721635712
+C65620136_decoy,-6.943753395567765
+C03183036_decoy,-5.707504849278928
+C05505580_decoy,-5.385548893051185
+C12260358_decoy,-5.076577813726237
+C17021501_decoy,-5.331219993499034
+C19980331_decoy,-3.969793138813049
+C40376992_decoy,99.0
+C43407656_decoy,-4.799649322418326
+C45651412_decoy,-5.57841324612771
+C48390990_decoy,-4.970998711759002
+C49080559_decoy,-6.035858879148863
+C49154669_decoy,-5.814343484151444
+C50364276_decoy,-6.135649127807258
+C61087605_decoy,-6.237655667510561
+C61665658_decoy,-5.110193264019662
+C62306668_decoy,-4.289540530147189
+C62393462_decoy,-6.574177825491198
+C65193435_decoy,-4.007868130821566
+C02899003_decoy,-6.034921147881936
+C12634153_decoy,-6.683105333179843
+C14783862_decoy,-3.909702339907658
+C35083193_decoy,-5.582044790089406
+C35345996_decoy,-6.506246991983589
+C38062543_decoy,-3.860307445062435
+C39287102_decoy,-5.781428413928665
+C44982658_decoy,-6.444508675621301
+C49051453_decoy,-5.99776635849488
+C49279077_decoy,-3.2954459333054835
+C49474501_decoy,-4.997546192476097
+C49595190_decoy,-6.277397645110218
+C51116920_decoy,-4.298018961290982
+C51150427_decoy,-4.984627864235547
+C51328338_decoy,-5.882070077960614
+C56862436_decoy,-3.948460688547813
+C58296852_decoy,-4.710311970529876
+C59472085_decoy,-5.058597424918803
+C60609335_decoy,-5.732120928302543
+C67080059_decoy,-5.360744476227481
+CHEMBL22808_active,-5.835875370510199
+C05362171_decoy,-6.047498490295822
+C06938811_decoy,-6.256470469973756
+C11736763_decoy,-3.174418587196949
+C36947021_decoy,-4.960166690988758
+C37034529_decoy,-3.564189118663506
+C37418971_decoy,-3.7209487720878265
+C37750222_decoy,-6.934917630444375
+C40333905_decoy,99.0
+C48759484_decoy,-4.242830006351093
+C48793314_decoy,-6.45912052246862
+C50397350_decoy,-4.294754502324716
+C53413620_decoy,-6.085067000036419
+C62663613_decoy,-3.353980586015307
+C63229051_decoy,-3.161138582326509
+C65842415_decoy,-6.067190982087632
+C04340304_decoy,-4.032701844615666
+C04758478_decoy,-5.155765777533203
+C04758488_decoy,-4.354583274812296
+C05027786_decoy,-6.904228895709816
+C31275724_decoy,-5.8175218716702775
+C31543351_decoy,-3.672641753185149
+C37749630_decoy,-4.23561655433255
+C40910037_decoy,-5.419982681649974
+C44775349_decoy,-7.5547524711595315
+C47963206_decoy,-8.440030127515188
+C48375779_decoy,-6.409464269294224
+C48949611_decoy,-4.405867901011344
+C54611184_decoy,-5.8553421470648495
+C62876268_decoy,-5.485032081883756
+C63144009_decoy,-6.75583028368294
+C63646957_decoy,-3.602222401846042
+C67172768_decoy,-4.017275024156525
+C67313727_decoy,-5.838848676933814
+C67314703_decoy,-6.154665178241318
+CHEMBL113191_active,-6.212942477659116
+C06846688_decoy,-5.575812437951772
+C09232828_decoy,-4.836995020329137
+C16322549_decoy,-3.533006013527778
+C22017463_decoy,99.0
+C27563754_decoy,-4.464798354884229
+C35097510_decoy,-4.7115166222907865
+C36972561_decoy,-5.026779462976662
+C37456668_decoy,-6.158200143809421
+C39617576_decoy,-4.097455071255371
+C40555950_decoy,-4.724967093454179
+C40822400_decoy,-4.693557857018035
+C43553449_decoy,-6.742148656861507
+C48862735_decoy,-5.472335494074912
+C49549813_decoy,99.0
+C50224072_decoy,-5.454767155791504
+C51123325_decoy,-7.0455531541563845
+C51414701_decoy,99.0
+C54522711_decoy,-5.418980713651978
+C59313829_decoy,-4.395061365397542
+C63156168_decoy,-4.692806356628886
+C66673883_decoy,-5.195206734875176
+C03984032_decoy,-4.705666624041567
+C13390050_decoy,-6.490963330562512
+C22624933_decoy,-5.984494995855371
+C32522745_decoy,-5.53516940504503
+C32801879_decoy,-5.770777598526963
+C33929202_decoy,-4.82246507893208
+C35367199_decoy,-6.169843277004863
+C40381275_decoy,-4.6814973892077525
+C40550348_decoy,-5.095836282227307
+C51094141_decoy,-4.020320851309446
+C54158031_decoy,-6.183401404616327
+C55850773_decoy,-5.790207238519987
+C57922966_decoy,99.0
+C58006004_decoy,-4.468489077008213
+C63000409_decoy,-6.349230790440943
+C63445293_decoy,-5.499097534966025
+C63696195_decoy,-5.366138262772126
+CHEMBL362993_active,-4.384336331735949
+C01651870_decoy,-7.141332772057229
+C02165028_decoy,-4.7129273183739535
+C04599732_decoy,-6.464355887729666
+C05487109_decoy,-5.857945169093958
+C05510501_decoy,-6.251514589835646
+C06013576_decoy,-4.272774906541768
+C06671699_decoy,-5.3977939954904
+C08685895_decoy,-5.855846639265095
+C14314345_decoy,-6.160498419172917
+C15036810_decoy,-5.786489019781723
+C15107831_decoy,-4.867507821905181
+C20246022_decoy,-2.718056922069517
+C20366470_decoy,-4.828281277946517
+C21790749_decoy,-5.773564764280305
+C35082981_decoy,-4.578683985765226
+C36227335_decoy,-4.658674198644442
+C37431598_decoy,-4.942263370371294
+C37557476_decoy,-4.681706840613255
+C37934306_decoy,-5.117996178660634
+C38576797_decoy,-5.14877208880275
+C40306439_decoy,-5.076098060965284
+C40327322_decoy,-3.669628048467336
+C40349200_decoy,-5.231742208017968
+C40381980_decoy,-5.5684743351191806
+C40734425_decoy,-6.5720034542607895
+C45071894_decoy,-5.937964219007941
+C49496824_decoy,-4.634081326447928
+C50604076_decoy,-6.884215493684969
+C61843766_decoy,-2.9652735866538698
+C62306437_decoy,-5.947312096275099
+C62510851_decoy,-8.311822802568347
+C64900030_decoy,-5.05367008439884
+C65622717_decoy,-4.063869553697081
+C66987041_decoy,-5.415553643981177
+C05550564_decoy,-5.346182544532811
+C06677877_decoy,-5.223416134999998
+C08905161_decoy,-5.9223582520987295
+C16940415_decoy,-4.210505209432535
+C36075848_decoy,-5.071677470038177
+C37745160_decoy,-5.829972138615521
+C37760215_decoy,-5.493212580383173
+C39361958_decoy,-7.070740705123518
+C40336171_decoy,-6.055019090004003
+C40605148_decoy,-4.6565531115668986
+C41632787_decoy,-5.160199152230536
+C43156646_decoy,-5.013025234160371
+C44682528_decoy,-5.416756880627022
+C49079523_decoy,-3.757662571652764
+C50670957_decoy,-6.347951179916935
+C51187246_decoy,-5.54850209355816
+C52763897_decoy,-5.813510353106885
+C54523526_decoy,-3.985434084003769
+C58563476_decoy,-4.122721402043397
+C63012081_decoy,-3.817029053322733
+C63132967_decoy,-4.622792361236306
+C63270955_decoy,-5.733444771917396
+C67139697_decoy,-6.307585887952021
+C02083255_decoy,-5.256218026807549
+C03106316_decoy,-7.147635011045098
+C03789766_decoy,-3.188231960598651
+C05374018_decoy,-5.638053885721023
+C05410559_decoy,-5.455755414551048
+C06757367_decoy,-5.522757061325543
+C20827155_decoy,-5.136680283202897
+C27319175_decoy,-4.053045934091713
+C36747227_decoy,-3.94314488795011
+C38062616_decoy,-4.567176129268857
+C38107680_decoy,-5.722012630938526
+C40383367_decoy,-5.94229782792574
+C45138299_decoy,-5.890117571661392
+C48380209_decoy,-3.486577822426133
+C49500124_decoy,99.0
+C49523588_decoy,-4.974580963080674
+C51119366_decoy,-4.926848782620118
+C64643128_decoy,-5.9545574949592766
+C05372681_decoy,-4.089575334856266
+C08395661_decoy,-5.573343555706148
+C13582042_decoy,-3.78688036552458
+C17079293_decoy,-6.757630568002807
+C37365953_decoy,-4.471518553693161
+C37373449_decoy,-5.244532447051303
+C37559215_decoy,-5.273293751909358
+C37579783_decoy,-5.714096589906714
+C37744368_decoy,-5.343925430612823
+C48004188_decoy,-5.872209650833925
+C48547200_decoy,99.0
+C48954315_decoy,-4.163801484682807
+C48965742_decoy,-4.758579233949901
+C61607781_decoy,-6.730771215869818
+C62963129_decoy,-3.331484184468606
+C05107426_decoy,99.0
+C05352673_decoy,-3.9640412098457176
+C16283474_decoy,-6.621102297937887
+C17077158_decoy,-5.020209036795131
+C35651344_decoy,-4.546537516433351
+C35738183_decoy,99.0
+C36198329_decoy,-5.204389039580903
+C37791356_decoy,-3.879195551300425
+C40166371_decoy,-7.544628176574451
+C40308585_decoy,-4.69885279233886
+C40348595_decoy,-4.581834508182458
+C40909651_decoy,-5.914812053169746
+C42119084_decoy,-5.184656021413071
+C43503599_decoy,-4.927145325460621
+C44018882_decoy,99.0
+C51994425_decoy,-5.9810120704490135
+C52274477_decoy,-4.083439495740438
+C54738510_decoy,-5.561851650020165
+C62089097_decoy,-3.2886802694410826
+C62778483_decoy,-3.436794854980812
+C63077799_decoy,-3.928174653411999
+C04574747_decoy,-4.258178647157688
+C06268962_decoy,-6.017548240387129
+C11566800_decoy,-6.037854643263753
+C17261175_decoy,-4.115409179705001
+C20588248_decoy,-5.049496401320228
+C35101213_decoy,-3.5332297173760283
+C37796955_decoy,-6.211981017412521
+C39480757_decoy,-5.72301538864476
+C40381302_decoy,-4.906861471390897
+C40861324_decoy,-5.441850736041827
+C41632783_decoy,99.0
+C43510678_decoy,-4.874178733167023
+C43554227_decoy,-7.509116460574097
+C44092243_decoy,-4.231288200346556
+C45585619_decoy,-5.600554001961831
+C47461782_decoy,-5.036737439583451
+C47871957_decoy,-4.355235756170551
+C48411652_decoy,-4.169884433375112
+C49183430_decoy,-4.963912897396148
+C51808397_decoy,-5.634079630074437
+C02316331_decoy,-4.3230563673729865
+C05487638_decoy,-3.046495608453274
+C06527088_decoy,-3.856982611209215
+C06546491_decoy,-6.649232427616419
+C13591863_decoy,-7.532493821638626
+C22059859_decoy,-5.7529112190799285
+C37037052_decoy,-4.17885117753769
+C37227492_decoy,-4.238188562109714
+C37431897_decoy,-4.887382502382671
+C40291857_decoy,-3.7711979603055537
+C45581547_decoy,-7.72405665832905
+C51091004_decoy,-4.45374327916225
+C55169593_decoy,-3.7151469994351296
+C61593999_decoy,99.0
+C61659718_decoy,-6.273093567644104
+C64643579_decoy,-5.638409832193108
+C66003178_decoy,-5.2990044145421855
+C00089285_decoy,-5.735174928005918
+C02538471_decoy,-5.685819018088007
+C03601755_decoy,-4.024755432248144
+C05107329_decoy,-5.234392486862965
+C13243675_decoy,-4.1274174669941255
+C16918355_decoy,-4.749485128299728
+C19171944_decoy,-4.94198029863442
+C20552283_decoy,-5.439506923974736
+C25162816_decoy,-3.684574224146332
+C34772311_decoy,-3.809066384142604
+C37751123_decoy,-6.087027093515673
+C37891415_decoy,-5.620559192746877
+C38091696_decoy,-3.5758010543911323
+C39556132_decoy,-5.874181892257315
+C40378333_decoy,-5.618207791564765
+C40383122_decoy,-7.113802918315481
+C40383962_decoy,-4.194195253520904
+C42805453_decoy,-3.5671178995306883
+C43399811_decoy,-4.614095143911678
+C43570362_decoy,-5.197449330975163
+C43856305_decoy,-5.488155950191044
+C44262368_decoy,-5.359029372290975
+C48950437_decoy,-5.703543546914655
+C49274304_decoy,-5.558917263214668
+C50136652_decoy,-6.208739288344511
+C66141901_decoy,-5.658782904640985
+C66240111_decoy,-3.882755815725429
+C66939144_decoy,-5.316394312680712
+C67239046_decoy,-5.348688576918288
+C00184153_decoy,-4.87195069527094
+C02659555_decoy,-4.066161610920018
+C04012915_decoy,-5.108700963205568
+C06574870_decoy,-4.43417930660217
+C06591399_decoy,-4.574221839276194
+C11889953_decoy,-3.625312461409007
+C13555178_decoy,-5.154270323589818
+C14451066_decoy,-4.573225953939324
+C29019340_decoy,-3.335639199224409
+C33633307_decoy,-4.899748307564841
+C42068418_decoy,-3.739442929589959
+C44257934_decoy,-4.8033441785901045
+C44330104_decoy,-4.00397147827429
+C44330777_decoy,-4.306388565690763
+C48645033_decoy,-6.592423924590792
+C49063956_decoy,-6.614822198627774
+C52925965_decoy,-3.42881015377874
+C55188255_decoy,-7.238442051030618
+C59293828_decoy,-5.778521388980823
+C61608150_decoy,-8.401612918347613
+C62056968_decoy,-4.382507224337815
+C63130974_decoy,-4.992634494218615
+C67383757_decoy,-3.996830249291097
+C00485475_decoy,-3.389102780173385
+C01572976_decoy,-4.682063685807711
+C02519676_decoy,-5.750458915672523
+C03526881_decoy,-3.5833076951041534
+C05760032_decoy,-4.435713118494304
+C06494933_decoy,-4.382081958426665
+C13233295_decoy,-5.091043920055004
+C23141991_decoy,-5.8329409089962505
+C29325022_decoy,-5.458393776765529
+C33271855_decoy,-3.79764493573401
+C35339742_decoy,-6.248456787785659
+C37692853_decoy,-5.363430458297809
+C37736206_decoy,-4.081660336770069
+C39940654_decoy,-4.762419243073756
+C44699535_decoy,-5.625464501572966
+C47852627_decoy,-3.825593082822957
+C48950439_decoy,99.0
+C55165665_decoy,-3.3826197680435204
+C58089082_decoy,-6.841243642226733
+C61592324_decoy,-4.546469913301963
+C61861524_decoy,-3.738536955149028
+C63012559_decoy,-4.391631498903212
+C66361750_decoy,-3.2895828753140397
+C03626486_decoy,-6.544361624389265
+C04557040_decoy,-3.7351539305556094
+C05498545_decoy,-5.0475858638185365
+C07257932_decoy,-5.441344140982612
+C08013012_decoy,-4.842437688239662
+C19470415_decoy,-4.197325006377298
+C26845076_decoy,-5.287531283595886
+C27524479_decoy,-5.27748954720018
+C37432335_decoy,-7.453210335925678
+C38789737_decoy,-6.726966827369808
+C42080149_decoy,-6.629917397135446
+C44928040_decoy,-5.094896711158718
+C49144025_decoy,-4.6368657468009085
+C49488255_decoy,99.0
+C50397197_decoy,-3.799940914099632
+C50602279_decoy,-4.378472427396622
+C61592323_decoy,-4.165977467819896
+C61607848_decoy,-5.837082507779992
+C62962897_decoy,-6.952720530111031
+C67463448_decoy,-3.483150858903086
+C67495692_decoy,-4.573855990932229
+C04304078_decoy,-5.2634675188238935
+C04749579_decoy,99.0
+C04983182_decoy,-6.176288030295285
+C31946934_decoy,-5.843251813943332
+C33980013_decoy,-3.325879398132854
+C37192561_decoy,-5.882285589444479
+C37657920_decoy,-5.550127608177784
+C37834373_decoy,-5.755006334001392
+C38011819_decoy,-5.484790297804479
+C40429609_decoy,-3.845942796215616
+C40834364_decoy,-5.073637225806576
+C41158548_decoy,-5.839892199094025
+C43430788_decoy,-5.262326017268313
+C44747643_decoy,-3.679413994558018
+C44977413_decoy,-5.699412554724268
+C46658276_decoy,-5.571531205870492
+C46724303_decoy,-5.636709996045325
+C48719222_decoy,-4.70346721496821
+C49117075_decoy,-5.374812445490175
+C50709473_decoy,-2.9591229353066293
+C54136424_decoy,-5.589839816230492
+C54310577_decoy,-6.310129863591047
+C58054844_decoy,-3.555391702494696
+C62813915_decoy,-6.334821658224717
+C63144066_decoy,-6.012130552314774
+C63171184_decoy,-6.65740155575437
+C63468508_decoy,-5.610216927231617
+C63598715_decoy,-6.128309821488226
+C63818328_decoy,-5.564047627213746
+C66700956_decoy,-5.0719107693853775
+C67067031_decoy,-4.596963468117472
+CHEMBL190819_active,-6.88930761699929
+C00438536_decoy,-4.336812792875784
+C02537401_decoy,-3.725212950115508
+C03172884_decoy,99.0
+C21149103_decoy,-3.433241102303252
+C24981957_decoy,-5.751366613522282
+C29574669_decoy,-7.164786705747562
+C34938248_decoy,-3.948019148805816
+C37288945_decoy,-5.0544193914790405
+C42119075_decoy,-4.677349590340424
+C48668330_decoy,99.0
+C48720348_decoy,-5.040934655566103
+C48909908_decoy,-3.993253762516576
+C50136730_decoy,-5.9425209380803805
+C51093218_decoy,-5.609935877137404
+C54071185_decoy,-4.437192670467613
+C55167857_decoy,-5.096450102234038
+C57840376_decoy,-3.84956320224215
+C62815346_decoy,-4.555299724612571
+C05165418_decoy,-5.318996271595887
+C16447861_decoy,-5.114076896386548
+C20016273_decoy,-4.3916693031238685
+C20745385_decoy,-4.493222707203094
+C22178410_decoy,-4.11134836462153
+C27982795_decoy,-3.3701050437583544
+C36334024_decoy,-7.580329598163661
+C37333566_decoy,-5.755697659654946
+C40017104_decoy,-6.35245916125127
+C40516906_decoy,-3.0935570773004937
+C42079485_decoy,-5.114149849580486
+C42197251_decoy,-5.145503889121912
+C43509892_decoy,-5.4401001440808825
+C44731604_decoy,99.0
+C44929201_decoy,-4.367454820386756
+C51095944_decoy,-3.138324844081449
+C55470689_decoy,-5.5145977650674425
+C66120144_decoy,-6.001531219134506
+C04222460_decoy,-6.253733562948924
+C04618417_decoy,-5.526458499642758
+C05498630_decoy,-4.585537511828159
+C14922683_decoy,-5.334802437848854
+C32179021_decoy,-2.703230971177561
+C33961048_decoy,-4.424143622222978
+C37190728_decoy,-7.646027029562929
+C40325814_decoy,-5.074311966391534
+C40378414_decoy,-5.857212075527207
+C41070096_decoy,-7.252602348150896
+C41385203_decoy,-4.781211149979471
+C43511281_decoy,-5.039973294104152
+C44956310_decoy,-3.678310206866422
+C45560652_decoy,-5.431018753893096
+C49034566_decoy,-5.685462287544308
+C49144092_decoy,-6.170386249411835
+C51121689_decoy,-4.959724775488602
+C57932067_decoy,99.0
+C58246768_decoy,-3.95115601711114
+C62775382_decoy,-4.853134271856077
+C64513656_decoy,-4.527849727934361
+C67196631_decoy,-6.260512215185205
+C01778940_decoy,99.0
+C02097573_decoy,-5.283611193854254
+C02349832_decoy,-4.580933741369611
+C08984684_decoy,99.0
+C36532125_decoy,-6.481051679686023
+C36744661_decoy,-4.839680361946727
+C36745944_decoy,-4.707173304976096
+C39306008_decoy,-5.790960459995323
+C40686697_decoy,-5.397420429281922
+C41027073_decoy,-3.1495655997395624
+C41071292_decoy,-4.357191677634458
+C42084710_decoy,-6.972420718652949
+C48734773_decoy,-4.950971943218167
+C52760286_decoy,-4.869193550397389
+C53736926_decoy,-6.097164817194533
+C58603798_decoy,-5.974987867641856
+C60411408_decoy,-4.9961856688357
+C61836614_decoy,-5.635637177140429
+C65000338_decoy,-5.60976016623018
+C65206763_decoy,-5.867226604057428
+C66639749_decoy,-5.777060471755014
+C67125851_decoy,-6.591113187548397
+C01612900_decoy,-2.8106432762798383
+C04707115_decoy,-5.0641352789116025
+C06094355_decoy,-3.9532561530113184
+C06679970_decoy,-5.784002572753123
+C36228058_decoy,-4.5392139183100095
+C37750186_decoy,-3.688651965557818
+C40384436_decoy,-5.312085333709092
+C40385200_decoy,-3.475981600911508
+C40418809_decoy,-3.7527293510547945
+C40570466_decoy,-4.74440304927105
+C45615354_decoy,-6.379584279588434
+C45730685_decoy,-6.156581395164995
+C47837215_decoy,-4.689120292974475
+C49027510_decoy,-5.203853591878505
+C49416701_decoy,-3.5363604236063866
+C54580744_decoy,-5.581876192983964
+C58912550_decoy,-3.848851438764947
+C59293911_decoy,-4.262867099758929
+C62562187_decoy,-4.216755298026397
+C00166157_decoy,-4.826046891737518
+C00524685_decoy,-3.788762046476717
+C10149885_decoy,-6.711917987673028
+C12985613_decoy,-5.444653453950791
+C20259713_decoy,-3.9052809948717457
+C27188971_decoy,-3.773367027856294
+C35452753_decoy,-5.180681124843336
+C35612247_decoy,-5.201773104380526
+C36746163_decoy,-6.367429980955733
+C37374787_decoy,-6.413822663760312
+C37433000_decoy,99.0
+C37820439_decoy,-5.093450436088146
+C48873280_decoy,-4.452720798141852
+C49128264_decoy,99.0
+C50674478_decoy,-6.645122176615314
+C52096737_decoy,-4.148058700169562
+C53735732_decoy,-3.9291750392343823
+C53736238_decoy,-5.177931287787777
+C56229288_decoy,-3.882697950423831
+C58311658_decoy,-5.958239001364057
+C62811902_decoy,-3.761783756230207
+C03886296_decoy,-4.572504901311472
+C05282185_decoy,-5.22922080471876
+C25593126_decoy,-3.9985113029241033
+C35367235_decoy,-8.128859049635208
+C37316597_decoy,-6.245864671857567
+C37338867_decoy,-3.841072004506893
+C38058364_decoy,-5.977603581914611
+C40229208_decoy,-3.701658768063808
+C40549437_decoy,-4.518512640104264
+C40760013_decoy,-3.945318249487576
+C41071270_decoy,-5.14109565186561
+C43503695_decoy,-4.690406057401198
+C44510262_decoy,-5.009151828465359
+C49548822_decoy,-5.53935858289951
+C55391269_decoy,-3.907003137053422
+C61712748_decoy,-5.073276855342823
+C61752408_decoy,-4.816619301841332
+C65365461_decoy,-4.367320032326298
+C01635648_decoy,-4.452204143882143
+C02397602_decoy,-6.056269399593907
+C02979428_decoy,-5.242544614016143
+C04705735_decoy,-5.7608884707714125
+C05017669_decoy,-4.679472604150281
+C11757487_decoy,-4.784489759003957
+C28021558_decoy,-3.159366424318809
+C33687684_decoy,-3.562877458458789
+C35053122_decoy,-4.061032513652223
+C36337540_decoy,-3.9177999800029695
+C38665335_decoy,-3.609670604647656
+C39336785_decoy,-5.362591102075954
+C39783559_decoy,-2.989528512549439
+C40142895_decoy,-3.952399353148474
+C40330859_decoy,-5.315171128597819
+C40506044_decoy,-4.778232040513932
+C41632468_decoy,-5.3355320971465865
+C41632778_decoy,-4.264576294131979
+C44946870_decoy,-3.5668630133203765
+C48601527_decoy,-4.913730451109945
+C48952924_decoy,-4.798278244854872
+C50604401_decoy,-3.964543292784506
+C50710746_decoy,-3.7845285775298834
+C54769682_decoy,-4.379613578498931
+C61871086_decoy,-3.149214879331185
+C65496733_decoy,-5.353934282473628
+C08357634_decoy,-4.000997005610339
+C19437997_decoy,-6.364211017186701
+C19882815_decoy,-5.628734981930705
+C40517014_decoy,-2.536651749437754
+C44249856_decoy,-4.848327896435221
+C44870859_decoy,-4.108700832813678
+C45064426_decoy,-4.097327626911752
+C45935904_decoy,-6.503138345645888
+C48502428_decoy,-4.863904470412405
+C51113114_decoy,-5.268845899055904
+C52759431_decoy,-4.0578280787182575
+C52906358_decoy,-5.545175794945572
+C61855831_decoy,-5.5079267504505385
+C02858051_decoy,-5.996489782328539
+C04773150_decoy,-4.614393477021762
+C05020160_decoy,-5.128712603383659
+C05847337_decoy,-3.46106884284151
+C06884314_decoy,-5.860362738631003
+C18227517_decoy,-4.739815679124464
+C20554832_decoy,-5.47531304824953
+C37486392_decoy,-4.970453805460304
+C42740297_decoy,-7.608704431752606
+C49314472_decoy,-6.117709957704093
+C50324390_decoy,-4.945222854016
+C53736084_decoy,-4.6196027540044735
+C54154802_decoy,99.0
+C05607079_decoy,-4.418199014189061
+C05702319_decoy,-3.311303483548267
+C22306725_decoy,99.0
+C35384069_decoy,-5.289046121471298
+C35390812_decoy,-6.402158249420699
+C37550809_decoy,-4.618318553312554
+C39481114_decoy,-5.334923625157591
+C40517460_decoy,-5.523801897105539
+C42193243_decoy,-3.982094980451309
+C42501912_decoy,-4.961367839815776
+C43429559_decoy,-4.31354665099738
+C43511158_decoy,-3.405159358301924
+C49420188_decoy,-4.6890123383996425
+C51117925_decoy,-3.4209134797605105
+C51808658_decoy,-4.00470259594691
+C61320329_decoy,-3.2814587133364994
+C62099640_decoy,-3.876344434490036
+C64623886_decoy,-3.377031386959313
+C65191680_decoy,-5.461785208222567
+C01724573_decoy,-4.23923885770823
+C02097508_decoy,-4.201839625432768
+C13247299_decoy,-3.7739618981246266
+C17175365_decoy,-2.9903938734188373
+C19442290_decoy,-4.91702183190417
+C21955638_decoy,-4.4237078466844615
+C36855243_decoy,-5.333223848284324
+C37467421_decoy,99.0
+C38601544_decoy,-5.174073040571965
+C40321385_decoy,-4.72931173915747
+C42478913_decoy,-3.677945376416984
+C42789240_decoy,-4.111363663300779
+C42926802_decoy,-5.390186728479374
+C44879549_decoy,-4.500024994413196
+C44976875_decoy,99.0
+C45697749_decoy,-5.031923321047138
+C48673830_decoy,-4.344403945464587
+C49176363_decoy,-3.828054526724448
+C49252140_decoy,-5.438346288501614
+C49539272_decoy,-5.389997335098512
+C50895392_decoy,-4.025658664028523
+C53372354_decoy,-5.830774065306829
+C61146730_decoy,-5.342474043183311
+C62834542_decoy,-3.93153639592124
+C03372954_decoy,-4.926455341964653
+C04522678_decoy,-3.5647008376343496
+C05685449_decoy,-3.8847972045946655
+C06586254_decoy,-4.800446655355191
+C06591401_decoy,-4.299249450302876
+C08830753_decoy,-5.276080826089037
+C12358952_decoy,-5.387419739579601
+C13210538_decoy,-6.061430109779083
+C13582034_decoy,-2.774005611482772
+C19470549_decoy,-3.7971307031799393
+C19827952_decoy,-4.173542568037662
+C22130306_decoy,-4.330702137977301
+C34779497_decoy,-4.806100298956022
+C35701151_decoy,-5.402150432592044
+C37750171_decoy,-5.471787473932374
+C43410598_decoy,-4.904760544359011
+C45624269_decoy,-5.799788430912065
+C48380252_decoy,-7.075646484104664
+C49518664_decoy,-5.583873295567872
+C50789969_decoy,-5.688116703396666
+C51584461_decoy,-3.383234280548099
+C52925501_decoy,-5.686867102320508
+C57292336_decoy,-6.813014942303408
+C57848479_decoy,-3.02357312406972
+C62106522_decoy,-3.911624510579518
+C03040181_decoy,-5.513512484482235
+C04632331_decoy,-5.315781792741733
+C09044928_decoy,-3.715273341315276
+C09747467_decoy,-5.046734730155927
+C27822441_decoy,-5.679591937016282
+C35059829_decoy,-4.274958679460949
+C37224625_decoy,-4.537470684247419
+C37558812_decoy,-5.852260891111294
+C39969699_decoy,-5.667538700422654
+C41034908_decoy,-5.013336145185872
+C48518739_decoy,-3.591463104179768
+C48923399_decoy,-3.892434132865672
+C50397483_decoy,-4.62578612133699
+C67080242_decoy,-4.7433404938226085
+CHEMBL349042_active,-6.35351354150413
+C00949482_decoy,-4.029844270020124
+C03842076_decoy,-6.22750358716422
+C05375895_decoy,-4.85923455679434
+C11616637_decoy,-4.266713802393668
+C16991595_decoy,-5.67048516127824
+C25503682_decoy,-3.455763428688136
+C37672713_decoy,-4.684380192820984
+C37735833_decoy,-6.250001426071994
+C39945656_decoy,-5.786222078008336
+C40335515_decoy,-5.888727739788332
+C40887507_decoy,-4.359778643989019
+C44501854_decoy,-5.044166815031614
+C44975918_decoy,-4.490844388586154
+C48767238_decoy,-6.411719087441674
+C49199333_decoy,-3.2959002695177264
+C49540070_decoy,-4.729482392038793
+C49850579_decoy,-6.2077984784285976
+C57218504_decoy,-4.92765532389635
+C61984172_decoy,-5.441019336605136
+C62022585_decoy,-4.917624863578807
+CHEMBL182628_active,-6.182019940389933
+C04879883_decoy,-3.628662850484817
+C06790284_decoy,-6.487747054138636
+C19232358_decoy,-5.056684763861084
+C34779048_decoy,-5.260231141673427
+C35792799_decoy,-3.939273607418853
+C37036655_decoy,-6.507244471521867
+C37192394_decoy,-5.5215133376345
+C37587346_decoy,-6.945543194067134
+C37673372_decoy,-3.697288621602602
+C37746838_decoy,-5.856384966827125
+C38107803_decoy,-5.116214358760272
+C40215670_decoy,-3.626185715206728
+C41285908_decoy,-5.260557515658322
+C43571045_decoy,-3.53951283387739
+C46585580_decoy,-4.067185941322157
+C47619376_decoy,-5.801597818178371
+C47837245_decoy,-6.654932832302871
+C49050362_decoy,-5.138406357443916
+C49210655_decoy,-3.9083651918947258
+C49279548_decoy,-5.588162096648165
+C51444922_decoy,-5.24451625709265
+C53325246_decoy,-5.309217589774365
+C56214104_decoy,-3.962143258081861
+C65623052_decoy,99.0
+C02642881_decoy,-5.426545284306622
+C04299288_decoy,-5.833897849529431
+C04334886_decoy,-5.6758831224177895
+C05586838_decoy,-4.2397616370154845
+C16189341_decoy,-3.9603806416839946
+C16248578_decoy,-5.113076988825334
+C17197375_decoy,-3.375235899448212
+C30338674_decoy,-5.319926092581701
+C37005087_decoy,-4.600533066444799
+C37553099_decoy,-3.657456317318178
+C37672723_decoy,-4.04891450455258
+C41071278_decoy,-3.4486299446900097
+C41118946_decoy,-3.798829165769405
+C41632483_decoy,-3.1056694178395583
+C44860769_decoy,-8.45590743535847
+C48818891_decoy,-3.718343662818356
+C48954702_decoy,-4.165830657901252
+C49588761_decoy,-4.653184774294523
+C51091359_decoy,-5.488463223249308
+C53162499_decoy,-3.311601046059089
+C56863156_decoy,99.0
+C59882184_decoy,-5.046166795317068
+C64898761_decoy,-5.750141383644888
+C67509097_decoy,-4.117022391087857
+C01073807_decoy,-5.558785633788474
+C02568984_decoy,-5.001382962926447
+C05175545_decoy,-5.391500266176132
+C06654150_decoy,-4.460999549993529
+C15240481_decoy,-4.4637782084454924
+C15532964_decoy,-6.407322725362766
+C19679705_decoy,-6.87832670115141
+C20310917_decoy,-4.013042180096503
+C22134603_decoy,-5.223951640115625
+C24985736_decoy,-5.644421835774901
+C37745041_decoy,-6.123049234508287
+C37999198_decoy,-4.983402313002185
+C41961178_decoy,99.0
+C42358197_decoy,-3.827756656831832
+C50323742_decoy,-3.554747310379241
+C50630581_decoy,-5.865901532195409
+C52860624_decoy,-4.02904312665773
+C54154183_decoy,-4.411907447244043
+C55166633_decoy,-3.60896258414534
+C62832592_decoy,-4.622369475998074
+CHEMBL309192_active,-3.8699452501643634
+C05635341_decoy,-4.646156681122327
+C10909198_decoy,-5.42032994933519
+C19981608_decoy,-6.324065752057261
+C22863454_decoy,-5.961275357891873
+C35188909_decoy,99.0
+C35296209_decoy,-3.920338482944171
+C35797298_decoy,-4.928669199075421
+C36831835_decoy,-3.68650575299101
+C37130684_decoy,-4.33768137391627
+C37580886_decoy,-4.363507366445552
+C38094688_decoy,-5.44098262973993
+C41010372_decoy,-3.031326063200381
+C46294151_decoy,-6.277115110676169
+C47691542_decoy,-4.2058048459531205
+C50398008_decoy,-4.78714076865028
+C54136103_decoy,-4.550747537575858
+C64623827_decoy,-6.267753775938457
+C04644945_decoy,-4.302757732232323
+C05687405_decoy,-3.27844788538922
+C08969777_decoy,-4.886787070855174
+C35384640_decoy,-3.953236359416117
+C39568400_decoy,-5.672572636972498
+C40017103_decoy,-5.489003601326614
+C40306364_decoy,-4.243745461817671
+C41072376_decoy,-3.3694810164440447
+C41289553_decoy,-5.40301762397025
+C41599104_decoy,-3.093992344117063
+C42902028_decoy,-7.048184330730598
+C43399814_decoy,-4.773964055572713
+C44888306_decoy,-4.306950552761809
+C49726894_decoy,-5.487022163406532
+C51146446_decoy,-6.638479896314764
+C55110204_decoy,-4.8004034654170775
+C55594426_decoy,-6.490871750390624
+C58949664_decoy,-5.82006065909969
+C63132770_decoy,-6.598853802562064
+C63763477_decoy,-5.0045610932920335
+C67413626_decoy,-6.726211345871623
+C05438225_decoy,-2.960853655135111
+C08771649_decoy,-6.123572055586267
+C20373611_decoy,-5.377897240273099
+C33520207_decoy,-5.907584513341378
+C37635909_decoy,-6.038909184815923
+C39938999_decoy,-4.607589360260106
+C41036406_decoy,-5.3344349450682085
+C47429084_decoy,-4.381288712082879
+C49042868_decoy,-4.918705987710536
+C49341875_decoy,-3.3519295987682685
+C50351343_decoy,-5.935584890191762
+C51093226_decoy,-6.16894225382722
+C52725567_decoy,-4.623356049515633
+C52925100_decoy,-6.720516422095607
+C56229281_decoy,-5.269144818403158
+C59293774_decoy,-4.362104774306872
+C62562057_decoy,-5.623937200398192
+C62832625_decoy,-4.0996332862475455
+CHEMBL301435_active,-5.6418586914319375
+C12467565_decoy,-5.497623101352248
+C17142941_decoy,-3.143188784871987
+C20354545_decoy,-3.6004961134509945
+C31962419_decoy,-5.255801716676167
+C37431929_decoy,-4.7650898524204175
+C40166780_decoy,-3.129640955979339
+C40887491_decoy,-3.623700997205752
+C41545265_decoy,99.0
+C42507169_decoy,-3.670795314482253
+C43595555_decoy,-4.865380358600916
+C44934852_decoy,-7.5714627824010545
+C48498945_decoy,-3.4733818966215355
+C49199141_decoy,-4.925704384355119
+C49496715_decoy,-6.923623843682119
+C50065395_decoy,-5.520662360846479
+C51129020_decoy,-4.001781178375818
+C55161945_decoy,-5.608627617827628
+C55169297_decoy,-4.876212837234729
+C58054836_decoy,-5.210251897367719
+C61808474_decoy,-5.866399981729396
+C61888066_decoy,-5.500402996685577
+C63130346_decoy,-4.666753949217025
+CHEMBL98262_active,-5.5948857564183845
+C01562550_decoy,-4.8764103877054055
+C01762194_decoy,-4.803513907658914
+C19423080_decoy,-5.283563530809397
+C29456555_decoy,-4.481422340658854
+C37406070_decoy,-3.2210353548943207
+C37735881_decoy,-6.117050114370728
+C40377138_decoy,-4.923325003468111
+C40385457_decoy,-5.716414838038163
+C41037607_decoy,-3.064084882119325
+C42435621_decoy,-4.244779937333402
+C44258467_decoy,-4.906782683256052
+C44549622_decoy,-5.273282125219192
+C44932595_decoy,-5.47089050610435
+C45063715_decoy,-5.095756993616553
+C52924890_decoy,-7.178176013476114
+C61984175_decoy,-4.381389626070452
+C00610818_decoy,-4.229319670207319
+C04127381_decoy,-3.329523684544024
+C37274081_decoy,-4.84683104719558
+C37552892_decoy,-5.831646480719292
+C40166782_decoy,-5.6481087396955365
+C42119103_decoy,-3.51419453263468
+C42788058_decoy,-4.227458260599237
+C46903341_decoy,-5.438892953179422
+C48952974_decoy,-5.444847380381463
+C51089001_decoy,-3.76889939613087
+C59048320_decoy,-4.36368384154523
+C00147660_decoy,-5.236269915089777
+C05498542_decoy,-4.498491542046465
+C14806888_decoy,-3.868403322214133
+C37334726_decoy,-5.644442770570681
+C38006920_decoy,-4.265212835953458
+C40909654_decoy,-5.6732801667950215
+C42725859_decoy,-3.89235383938898
+C44724663_decoy,-3.800541567395844
+C44882245_decoy,-5.701013645483177
+C49028666_decoy,-4.126253432475616
+C49500112_decoy,-5.793653158194257
+C53110042_decoy,-3.4819577383910074
+C54767068_decoy,-4.547937623595335
+C57849417_decoy,-4.344491787419272
+C64643507_decoy,-5.375849462656537
+C00896569_decoy,-4.2538429238556565
+C04625207_decoy,-5.725780125109343
+C04810924_decoy,-5.3892499390747615
+C20005967_decoy,-3.813631479727517
+C37745276_decoy,-4.971595423040681
+C40346405_decoy,-3.663005034934609
+C40552735_decoy,-4.559378970179323
+C40577096_decoy,-3.348450796235042
+C42199044_decoy,-3.655773357736384
+C44609091_decoy,-5.440743213122882
+C45070761_decoy,-4.855989009966636
+C45584177_decoy,-3.942116874303757
+C48087954_decoy,-6.731502144468087
+C52855779_decoy,-3.09706589430106
+C54154282_decoy,-6.733927535364512
+C54648812_decoy,-6.034869615203519
+C55171395_decoy,-4.430321840142902
+C61330372_decoy,-4.634065761781427
+C63142093_decoy,-5.26160497937904
+C63152772_decoy,-4.924805771676933
+C63373269_decoy,-4.876303725917207
+C65268838_decoy,-5.448855119691725
+C66276994_decoy,99.0
+CHEMBL25333_active,-6.370480461082711
+C06605711_decoy,-3.9575030897739967
+C19774656_decoy,-4.896471752748354
+C27833354_decoy,-7.076793875588367
+C35797183_decoy,-4.052152045783297
+C35798382_decoy,-6.708891444578704
+C39287086_decoy,-5.4202951885136095
+C40296025_decoy,-4.464812485786256
+C40337029_decoy,-4.353504004113925
+C40349594_decoy,-6.7313153838572495
+C40380999_decoy,-4.2862738425888125
+C40385152_decoy,-4.914112114691093
+C40677691_decoy,-4.437051288432765
+C42357976_decoy,-5.428497797154356
+C43511260_decoy,-5.564934406022938
+C45069777_decoy,-4.79119217731376
+C49413365_decoy,-5.610879643111655
+C49416756_decoy,-3.569048151392149
+C49571600_decoy,-4.159716343541124
+C50199161_decoy,99.0
+C50376574_decoy,-5.585721600600492
+C50420841_decoy,-4.286000869715289
+C50674384_decoy,-5.856274985886575
+C57888256_decoy,-4.969386938716053
+C58245960_decoy,-3.6007516066113423
+C61809056_decoy,-4.085029925535376
+C03378387_decoy,-5.668170758819714
+C07496310_decoy,-4.060849176707071
+C09348792_decoy,-5.581099044886932
+C20790998_decoy,-6.214329971368606
+C30707273_decoy,-4.203884661246625
+C33519945_decoy,-5.685741157965587
+C35763507_decoy,-4.325023007103424
+C36105289_decoy,-3.6025743794941865
+C37629518_decoy,-5.09343754140077
+C39481725_decoy,-6.326344529468076
+C46806918_decoy,-7.136093503996401
+C49291595_decoy,-5.332573540385343
+C49561106_decoy,99.0
+C65072466_decoy,-4.310325744727242
+C67475404_decoy,-4.116495042950287
+C01787034_decoy,-6.657342548094326
+C04717669_decoy,-5.935783111103976
+C10809604_decoy,-4.972996863318429
+C11178863_decoy,-2.7546803362078616
+C19855238_decoy,-3.0195080303844053
+C20331723_decoy,-5.457290629919842
+C27028454_decoy,-4.3493366802442175
+C35599647_decoy,-5.735021947836008
+C36320426_decoy,-5.884819345321856
+C37431715_decoy,-4.873580898481815
+C37590805_decoy,99.0
+C37674080_decoy,-7.282720961481541
+C40429065_decoy,-4.964879132677684
+C40781412_decoy,-3.720260748172216
+C42525449_decoy,-5.777330261079089
+C43771825_decoy,-2.6058878554706983
+C43790319_decoy,-5.360821119593004
+C44324626_decoy,-3.7768576268903264
+C45564494_decoy,-4.5150027541640885
+C47980226_decoy,-5.382076383998088
+C51068155_decoy,-4.05056313956194
+C53736081_decoy,99.0
+C54217344_decoy,-4.155054334510575
+C58850081_decoy,-4.408946908051174
+C60649281_decoy,-4.919430775532769
+C62779664_decoy,-4.469643663928059
+C02568981_decoy,-3.488453301655101
+C03442943_decoy,-3.71885721027969
+C05937078_decoy,-4.703064341218827
+C06492897_decoy,-2.7860610258561387
+C10335085_decoy,-3.916515342256554
+C19929096_decoy,-4.937868590828254
+C22158934_decoy,-3.931826832392814
+C22264419_decoy,-4.248277459550493
+C37921581_decoy,-4.255253007793626
+C40346406_decoy,99.0
+C40546123_decoy,-3.915229057603817
+C41131308_decoy,-5.226430597229435
+C43111069_decoy,-4.3059747227616585
+C44317489_decoy,-5.576754123040904
+C48782146_decoy,-4.219769005045964
+C50305811_decoy,99.0
+C50663159_decoy,99.0
+C54390725_decoy,-4.861833521920229
+C58279761_decoy,-5.886782170135567
+C61684520_decoy,-4.879357551213568
+C67172846_decoy,-4.004741560949511
+C67359279_decoy,-4.376366124731364
+C05501867_decoy,-5.823331770963679
+C06391857_decoy,-3.841319452921923
+C08395679_decoy,-4.468473054014188
+C33358895_decoy,-2.752476597840517
+C40384183_decoy,-5.63779015486585
+C43480986_decoy,-4.625099667483889
+C44168629_decoy,-3.23856800128007
+C49117725_decoy,-4.696059918797882
+C57952111_decoy,-3.750256269312666
+C58949136_decoy,-3.0835460768375604
+C62832369_decoy,-4.274807418428676
+C30525295_decoy,-4.778176637570885
+C37883178_decoy,-5.93414117566314
+C40267130_decoy,-5.2356050995356025
+C41037924_decoy,-4.89489443821222
+C41068524_decoy,-5.2228762842944345
+C42193097_decoy,-4.612729078095578
+C42345678_decoy,-4.103800052003867
+C48938843_decoy,-5.488567854690419
+C02792421_decoy,-4.077424892518619
+C03871108_decoy,-2.947008440763973
+C05138991_decoy,-4.600495978971716
+C15708461_decoy,-6.356028631899504
+C19573942_decoy,-5.556170459817699
+C41067741_decoy,-3.9842228413881458
+C41961300_decoy,-4.418868002661357
+C43511584_decoy,-4.667154872326111
+C48793248_decoy,-4.059034150418631
+C48865227_decoy,-4.250706585878859
+C49206773_decoy,-3.877951338285
+C54458059_decoy,-3.9575351815083497
+C57849026_decoy,-4.707079730689967
+C64082811_decoy,-6.233604610911406
+C64885006_decoy,-6.6855782098223
+C66925392_decoy,-4.75084470569642
+C67313339_decoy,-4.719934154951525
+C01631393_decoy,-5.102936033593599
+C04691266_decoy,-5.0862783241668215
+C04755618_decoy,-4.964775195443354
+C16928202_decoy,-5.644389887920792
+C20259714_decoy,-5.108867796485573
+C38631559_decoy,-3.780171527943098
+C41071377_decoy,-4.245892468504772
+C42477670_decoy,-5.442681537826287
+C50084899_decoy,-6.0320730115075545
+C50692121_decoy,-6.100386523127706
+C61374253_decoy,-5.6386039541816935
+C62026353_decoy,-3.916903545966684
+C05461123_decoy,-2.3477503621804177
+C32458530_decoy,-4.171538677820441
+C36194478_decoy,-3.629532150239666
+C40308564_decoy,-3.002570687752209
+C42696884_decoy,-3.62627898099338
+C48438941_decoy,-6.124159985596986
+C50136722_decoy,-5.434949333738465
+C58835239_decoy,-4.702420480428568
+C04628756_decoy,-3.7522545649649217
+C06661330_decoy,-4.285790597374982
+C09886053_decoy,-5.356179266361566
+C37736044_decoy,-5.54313180191465
+C38095276_decoy,-3.889460873148309
+C40332452_decoy,99.0
+C40533176_decoy,-5.253858145599982
+C41682623_decoy,-4.604301849650862
+C48489062_decoy,-4.797748351998692
+C49144816_decoy,-3.2587099795104955
+C50408134_decoy,-4.459231021933844
+C54025578_decoy,-5.305072259505515
+C66122474_decoy,-5.243385468884945
+CHEMBL311288_active,-6.631332576064153
+C15156373_decoy,-5.1754486375929964
+C20353154_decoy,-3.228750562437125
+C37334577_decoy,-5.406149573585932
+C37417791_decoy,-4.88694553753387
+C37750750_decoy,-4.510356696377149
+C42614586_decoy,-4.69653591392801
+C42788555_decoy,-6.081263046836669
+C50397093_decoy,-2.9961763765731373
+C51090693_decoy,-3.303041208075561
+C52852909_decoy,-4.242511424292719
+C54217062_decoy,-3.655248474911787
+C15937134_decoy,-4.546091561595068
+C16371185_decoy,-4.969320689679904
+C49425684_decoy,-6.229568913102814
+C54506083_decoy,-6.3316700466159705
+C55174409_decoy,-4.047394993813061
+C58949662_decoy,-4.994827590636741
+C06328739_decoy,-4.3613181901833205
+C36977121_decoy,-6.352022386331225
+C37010320_decoy,-4.196265095955102
+C38083698_decoy,-6.210546254553219
+C48821458_decoy,-4.938249114565842
+C49300709_decoy,-4.670889792736026
+C61122869_decoy,-4.1678062498858335
+C61844677_decoy,-3.933650039364752
+C61984266_decoy,-4.756224115192205
+C64251478_decoy,-6.2967459792846325
+C03439460_decoy,-6.382050983945397
+C05580665_decoy,-4.926099895110558
+C42924450_decoy,99.0
+C43511561_decoy,-4.422983766537167
+C44785459_decoy,-4.474068579822227
+C45091816_decoy,-3.807395982471877
+C48953011_decoy,99.0
+C49019079_decoy,-6.013031922577703
+C50136534_decoy,-5.521756565847376
+C50604428_decoy,-5.481683094898998
+C03121506_decoy,-4.953020336752422
+C15559751_decoy,-6.724406808908811
+C35431173_decoy,-4.8833399683277365
+C36744535_decoy,-6.450869113699463
+C37557597_decoy,-3.919766214651531
+C38029767_decoy,-4.248404847675819
+C40517059_decoy,-2.970144990661603
+C44679135_decoy,99.0
+C66634833_decoy,-5.422345849522364
+C36161247_decoy,-3.3517736400682576
+C37456903_decoy,-5.089220725019064
+C41034656_decoy,-5.152843958213811
+C41035882_decoy,-3.3924380512042838
+C41473802_decoy,-5.170995601124199
+C45067987_decoy,-5.966235045129925
+C46925610_decoy,-3.7258996887895024
+C47795541_decoy,-4.308594750925857
+C49692399_decoy,-4.331498420650867
+C61591583_decoy,-3.0727734012250463
+C61835469_decoy,-4.702488058323893
+C62252463_decoy,-4.986432778768
+C63818131_decoy,-5.207173326115287
+C67236673_decoy,-5.970354662495215
+C02540029_decoy,-0.3215629847707064
+C18173719_decoy,-3.3995595954108344
+C36745806_decoy,-5.083220209409162
+C37486189_decoy,-5.276746061327078
+C37669184_decoy,-4.48733665546733
+C44272467_decoy,-3.867912315715064
+C46565579_decoy,99.0
+C49560039_decoy,-4.7127799978724685
+C61805573_decoy,-3.7984735899615982
+C13783884_decoy,-4.376431912779886
+C19817768_decoy,-4.5932397668048806
+C20215038_decoy,-5.10925133575824
+C40022729_decoy,-5.316976704893245
+C40336194_decoy,-4.041691324390751
+C40533002_decoy,-5.301488638447791
+C40588979_decoy,-6.03295821961413
+C43644114_decoy,-3.172888413537617
+C50421631_decoy,-4.9854822115992965
+C50657267_decoy,-3.758666536642727
+C62324207_decoy,-3.547271483768409
+C63348904_decoy,-6.2632416340101456
+C06511763_decoy,-4.563081901713426
+C12428266_decoy,-4.263531575071388
+C33961036_decoy,99.0
+C36825274_decoy,-4.534496997663987
+C42139915_decoy,-3.669733193202729
+C61806837_decoy,-4.669194474156899
+C62778280_decoy,-3.2755097454709405
+C62811640_decoy,-4.699856595160722
+CHEMBL298659_active,-5.3082979182795205
+C41068934_decoy,-4.13371244646908
+C43428508_decoy,-4.969327221503608
+C47980231_decoy,-5.894681810391578
+C50472317_decoy,-4.7697631810777406
+C12997510_decoy,-5.066553825322857
+C15937020_decoy,-6.358152064684081
+C37064005_decoy,-3.051117923206533
+C37556339_decoy,-5.296090867188412
+C39716642_decoy,-4.507884098230803
+C49539425_decoy,-7.411975590669786
+C54492886_decoy,-3.992675610677897
+C62811897_decoy,-3.3918730089559723
+C04689253_decoy,-3.0946175314293023
+C19639574_decoy,-3.4512058212536827
+C20304966_decoy,-5.327155129371513
+C31958578_decoy,-4.730275799749457
+C37737548_decoy,-4.554716120740266
+C42139517_decoy,-2.600432651797001
+C43399914_decoy,-4.104690886970196
+C44784585_decoy,-3.814518289651409
+C44860763_decoy,-7.972157765518427
+C45084295_decoy,-5.056984123941271
+C49212168_decoy,-3.9434222744142
+C50776277_decoy,-6.179696246667557
+C52787782_decoy,-5.811385706757165
+C62963104_decoy,-5.231737135777811
+C67080010_decoy,-6.481236951884877
+C04304079_decoy,-5.136539513956215
+C36745755_decoy,-4.665378555910067
+C36926792_decoy,-3.943735880683042
+C37559935_decoy,-4.547368574224544
+C40218683_decoy,-4.343597812016591
+C42526585_decoy,-5.868423845157357
+C44121589_decoy,-5.713475161650528
+C47609099_decoy,-5.121960332696426
+C49352865_decoy,99.0
+C62811047_decoy,-3.5834489068416
+CHEMBL254679_active,-6.50290114781147
+CHEMBL426810_active,-6.358999954815446
+C00117424_decoy,-4.5680265780596585
+C36745591_decoy,-6.368241898685379
+C37843406_decoy,-5.806263276114754
+C47876874_decoy,-5.420822235590972
+C48971054_decoy,-6.087527636426844
+C49238588_decoy,-5.692715268165255
+C50710296_decoy,-5.579307704271936
+C65858233_decoy,-5.678742988043348
+C15937207_decoy,-5.35227644411103
+C37451641_decoy,-5.572900271237395
+C41050635_decoy,-2.8937496030616505
+C48027210_decoy,-6.079918154256733
+C62811660_decoy,-4.199812386560312
+C02023559_decoy,-2.215172658699839
+C02474446_decoy,-4.64362419747628
+C13600719_decoy,-4.948192865902594
+C40384177_decoy,-4.173384261274959
+C40384219_decoy,-5.306598039422108
+C41158455_decoy,-5.296172783092781
+C42197245_decoy,-3.8687759495753
+C49187338_decoy,-4.092832949790945
+C49467704_decoy,-6.054307156819125
+C50398438_decoy,-3.6410142951197537
+C61657877_decoy,-5.465099809084297
+C67196441_decoy,99.0
+C35680188_decoy,-4.479699264131799
+C36898787_decoy,-5.077817090649922
+C40543043_decoy,-3.902600664680304
+C41118944_decoy,-4.139449302961047
+C43460966_decoy,-3.209820175680049
+C48392256_decoy,-4.996532325347088
+C51088061_decoy,-3.714908178062215
+C55186468_decoy,-5.336840244771968
+CHEMBL1161284_active,-7.128283836328872
+C05220251_decoy,-4.988502428795864
+C36262172_decoy,-3.942863737609942
+C41036352_decoy,-4.604759455153356
+C48749211_decoy,-6.311239790842155
+C50753201_decoy,-5.903733970000066
+C58261031_decoy,-3.876517602504527
+C62391380_decoy,-4.685302637850456
+C01596724_decoy,-4.069107788470801
+C20566181_decoy,-4.079648036746605
+C39481689_decoy,-4.994135222437502
+C40436178_decoy,-4.569212338143375
+C43399528_decoy,-4.342123173095736
+C45089068_decoy,-6.426178467976969
+C51095856_decoy,-5.184034553334894
+C54134343_decoy,-6.294868379681256
+C01897529_decoy,99.0
+C05005024_decoy,-3.8449976108345423
+C08733402_decoy,-2.848836179912472
+C15206462_decoy,-2.827281101977461
+C40335886_decoy,99.0
+C40415566_decoy,-5.045991206446407
+C41500505_decoy,-4.753643294975682
+C49114168_decoy,-4.077414602916508
+C49352861_decoy,-3.000579513655187
+C50539308_decoy,-4.220962115215081
+C51143966_decoy,-4.169668795242363
+C04245270_decoy,-4.466371152610448
+C05509126_decoy,-3.697504002410094
+C13733232_decoy,-4.186987678528386
+C41835367_decoy,-3.148120832034549
+C54067827_decoy,-4.55426105763407
+C65192867_decoy,-4.976122136579246
+C05424976_decoy,-3.9162037754179617
+C35738156_decoy,-3.322230605051125
+C37451504_decoy,-5.7296686104142855
+C40384026_decoy,-4.34910006846308
+C40415648_decoy,-4.164093757085055
+C65083624_decoy,-3.835428254555284
+C01385828_decoy,-3.451734668483784
+C13747667_decoy,-3.826638703315466
+C19867541_decoy,-4.843323979795148
+C40229213_decoy,-3.7228094359650914
+C40910691_decoy,-3.2414903662476573
+C41704725_decoy,-4.4855307481159645
+C42527670_decoy,-4.685628964596087
+C45071074_decoy,99.0
+C46856499_decoy,-7.083913092918772
+C49046563_decoy,-4.976716571075657
+C50657249_decoy,-6.100649558368283
+C58279047_decoy,-3.162731861894567
+C61608151_decoy,-5.444025571770688
+C61843551_decoy,-4.0893464749345165
+C64643493_decoy,-3.400988291287105
+C66985906_decoy,-3.525349194161589
+C37450953_decoy,-3.636999188857557
+C40387382_decoy,-4.304801836649488
+C43949219_decoy,-4.109605032533713
+C49237445_decoy,-5.354561084022965
+C01559600_decoy,-4.245570310350101
+C06620285_decoy,99.0
+C37501184_decoy,-4.258074576823711
+C37569452_decoy,-4.312188778283361
+C38097366_decoy,-5.116643024841218
+C51817016_decoy,-3.125669493250501
+C61593701_decoy,-3.913992380486091
+C00426802_decoy,-4.866954583837445
+C06641322_decoy,-4.376242073189983
+C09209174_decoy,-3.643254850053219
+C35179829_decoy,-3.4653404767503084
+C35797287_decoy,-3.930614073607864
+C37488149_decoy,-4.89174759491285
+C38011818_decoy,-5.41474173257235
+C41019481_decoy,99.0
+C48644865_decoy,-4.82680422331421
+C50663713_decoy,-5.104817888389746
+C04336107_decoy,99.0
+C05612944_decoy,-5.762712009788729
+C40596271_decoy,-7.610370785530872
+C41435479_decoy,-4.39407146696236
+C48890974_decoy,-5.220037722264587
+C50891767_decoy,-4.435138232633863
+C05217225_decoy,-4.414825894924835
+C37432064_decoy,-5.041429154049243
+C40517077_decoy,-2.9195397384172304
+C49348193_decoy,99.0
+C50603908_decoy,-5.095542643965967
+C50753203_decoy,-5.013729066080547
+C54396575_decoy,-5.427385438308908
+C64655257_decoy,-4.191999518723313
+C42517391_decoy,-5.661144507742221
+C43009350_decoy,-5.898314184642292
+C49279080_decoy,-4.655362025251669
+C49518583_decoy,-4.53559725943813
+C62222223_decoy,-4.2042610786915455
+C42116906_decoy,-4.924261502649024
+C47963142_decoy,-4.501429938750555
+C49496671_decoy,-4.470512652091517
+C54155930_decoy,-5.620101748069895
+C61091903_decoy,-5.133724498764687
+C67539903_decoy,-3.1552335765034445
+C26467796_decoy,-5.472361869565363
+C36898783_decoy,-5.989046194606134
+C37991151_decoy,-4.310458110212975
+C40166787_decoy,99.0
+C48609455_decoy,-7.468511819951469
+C49192061_decoy,-4.419920651219128
+C05928167_decoy,-5.4114084763328405
+C12232179_decoy,-4.770588651332514
+C39480990_decoy,-4.857046193607749
+C40697250_decoy,-5.768291228957001
+C45067046_decoy,-5.230793009887697
+C62324716_decoy,-2.7590647972258093
+C64252123_decoy,-4.7761719885980405
+C37448123_decoy,-3.041199578436998
+C48797993_decoy,-5.073349021385474
+C54135875_decoy,99.0
+C08700300_decoy,-4.702701779744392
+C20877695_decoy,99.0
+C38098838_decoy,-4.84497081260865
+C40217514_decoy,-4.177439993892845
+C56818505_decoy,99.0
+C04017415_decoy,-3.7443015213235946
+C33520034_decoy,-5.052943902975894
+C41790612_decoy,99.0
+C49080418_decoy,-5.154044764168311
+C49443739_decoy,-3.856586970997804
+C52811289_decoy,-4.904297679716882
+C53732827_decoy,-4.916428924620227
+C62815345_decoy,-5.540296500478173
+C13528783_decoy,-4.365050683293418
+C15156370_decoy,-5.549205893013511
+C33906842_decoy,-3.1334277599191385
+C36893246_decoy,-2.6408547834383254
+C37751078_decoy,-3.811744601046952
+C45585643_decoy,99.0
+C62100135_decoy,-4.7858790410939065
+C66698837_decoy,-4.2533172691287
+C13589999_decoy,-6.567662427156694
+C39159928_decoy,-5.516464951888235
+C40166783_decoy,-5.520894599628192
+C40383332_decoy,-4.472106395392643
+C41068055_decoy,-4.717270262179505
+C41298921_decoy,-4.549702062993257
+C42052220_decoy,-6.079519646852692
+C43511038_decoy,-5.496460004522735
+C19679619_decoy,-5.825626905579444
+C20218141_decoy,-5.060984709343812
+C40532968_decoy,-5.027770202160998
+C41027085_decoy,-4.0810897691739845
+C47718360_decoy,-5.94228911214243
+C49143922_decoy,-4.362618988905012
+C50669680_decoy,-3.8276788315610446
+C49183047_decoy,-5.019324083142047
+C62562185_decoy,-3.887594886811736
+C03356621_decoy,-4.88916292423959
+C35296385_decoy,-5.043188333531309
+C36744682_decoy,-3.616124497228296
+C38048345_decoy,-3.983413763331883
+C42432269_decoy,-4.72097611611093
+C43429477_decoy,-3.597396710824904
+C51088055_decoy,-3.7869458335981214
+C55188004_decoy,-2.5505203080807504
+C59810228_decoy,-5.4466832122276125
+C40377106_decoy,-4.2341340818672855
+C51893827_decoy,-4.823282015094086
+C57845908_decoy,-4.327269736618686
+C35296189_decoy,-5.31977593861893
+C39287087_decoy,-4.91311596219547
+C03575679_decoy,-3.974900537622383
+C20422380_decoy,-4.203257615656956
+C39305998_decoy,-4.3010037616510886
+C13284910_decoy,-4.12823875537217
+C15446451_decoy,-4.7141657787837605
+C49129231_decoy,-5.148584441404969
+C61871058_decoy,-4.561103556032997
+C63456914_decoy,-3.1050638915524176
+C01560460_decoy,-3.8347972109215687
+C36277628_decoy,-4.73567863488366
+C37736149_decoy,-5.350622850522564
+C42345931_decoy,-3.698486798869872
+C52943092_decoy,-4.080409781117585
+CHEMBL365976_active,-6.546478311270532
+C00611620_decoy,-4.883264925581112
+C37720630_decoy,-5.558517990540467
+C42038915_decoy,-3.628714338494671
+C44349085_decoy,-5.123124113996411
+C50060201_decoy,99.0
+C61594536_decoy,-4.640831004581977
+C20127514_decoy,-3.765146255874839
+C39481150_decoy,-4.450911658661561
+C39791410_decoy,-5.597096297123221
+C55187462_decoy,-4.174947153937494
+C55272980_decoy,-5.258046788474778
+C37420043_decoy,-3.9307018617053178
+C42612171_decoy,-6.936238807559172
+C49248724_decoy,-5.429749476155144
+C52943094_decoy,-5.184272237467839
+C00027678_decoy,-4.436859846490993
+C43481024_decoy,-3.876977772516888
+C44548956_decoy,-5.3321655377103605
+C48396733_decoy,-4.874728850174817
+C37225193_decoy,-4.024087053024484
+C49211004_decoy,-4.186901130623975
+C52942980_decoy,-4.948370959716649
+C20458796_decoy,-3.3448956520521445
+C20156094_decoy,-3.4001727941705875
+C35366823_decoy,-4.766609293977436
+C35389221_decoy,-3.182913858012041
+C61366087_decoy,-3.3536777710817853
+C61888233_decoy,-4.817339700539438
+C17352906_decoy,-2.5811586997885563
+C21965324_decoy,-3.869231392851261
+C40517032_decoy,-3.795167631091542
+C54929589_decoy,-5.990368493080096
+C37727114_decoy,-5.534634894750863
+C42084711_decoy,-6.112772374764892
+C47962578_decoy,-3.120057892249108
+C64623870_decoy,-3.6232624342731072
+C37552890_decoy,-4.553531727463996
+C41036202_decoy,-4.18354160389238
+C04222469_decoy,-6.607214310637046
+C37736573_decoy,-6.046614177622536
+C41037118_decoy,-5.502421099571064
+C53072588_decoy,-3.9423946229584
+C01291466_decoy,-3.414021927720481
+C17021248_decoy,-3.4522532193367312
+C48411655_decoy,-4.310266840989288
+C11919889_decoy,-3.4598441063455967
+C42528818_decoy,-3.453462298164065
+C49776521_decoy,-3.740382647881044
+C37735600_decoy,-5.03448302796342
+C40382489_decoy,-3.796069131343955
+C40698587_decoy,-5.8638942480646365
+C61809734_decoy,-5.383527182842115
+C16038902_decoy,-5.264772961076489
+C36745864_decoy,-4.367239304430517
+C37020447_decoy,-4.084619352725208
+C37451603_decoy,-3.4586178208157943
+C63156735_decoy,99.0
+C49119679_decoy,-4.9178610856858365
+C50594841_decoy,-4.005192396386499
+C48624004_decoy,-4.121166743792786
+C61808488_decoy,-5.607936390453502
+C62777572_decoy,-5.28061168747282
+C06328525_decoy,-4.794166855198167
+C40453323_decoy,-3.514489236531624
+C59941997_decoy,-4.127936045868985
+C19788503_decoy,-3.750361882634392
+C17082646_decoy,-5.775209196091417
+C66122115_decoy,-5.552719901498731
+C05713870_decoy,-3.49440269690777
+C01589660_decoy,-7.125245586179005
+C62846911_decoy,-4.563491236586264
+C02905507_decoy,-3.1408845854346743
+C08780825_decoy,-5.826419383952089
+C40387380_decoy,-4.430529324102158
+C41035768_decoy,-4.746449194772706
+C45419516_decoy,-4.795183159986752
+C63143160_decoy,-4.177057434226536
+C37568651_decoy,99.0
+C02102404_decoy,-5.158132277122337
+C13747668_decoy,-4.310313974843316
+C34974515_decoy,-4.777389847432301
+C01885427_decoy,-3.622864366943768
+C37723041_decoy,-5.551708588723277
+C35083531_decoy,-5.167916558528996
+C42961079_decoy,-4.540784184927313
+C41738359_decoy,-3.6882414680329223
+C20259132_decoy,-3.10804515028913
+C61726907_decoy,-4.76213173934585
+C58231598_decoy,99.0
+C44838607_decoy,-5.077479315559134
+C44289781_decoy,-3.592396989590476
+C35296478_decoy,-4.232776049609647
+C63244758_decoy,-3.7482508910572303
+C52094206_decoy,-2.4397935605254086
+C46585346_decoy,-2.017357774744813
+C57842285_decoy,-2.266545293128762