SMILES,Molecule Name,Target Name,Type,label,LF_score,GN_score,DD_score, RMSD_Energy
CCC1=NC[C@@H](O)c2ncn([C@H]3C[C@@H](O)[C@@H](CO)O3)c2N1,CHEMBL35316_active,ADA,Active,1,-6.85893,-8.24,0.39,-12.59067116854761
OCC1OC(n2cnc3c2NC=NC[C@H]3O)CC1O,CHEMBL360191_active,ADA,Active,1,-8.54936,-8.38,0.38,-17.419145572055474
OC[C@H]1O[C@@H](n2cnc3c2N=CCC[C@H]3O)CC1O,CHEMBL97627_active,ADA,Active,1,-8.40248,-7.72,0.04,-7.9121980439020385
OC[C@@H]1OC(n2cnc3c2N=CCC[C@H]3O)[C@@H](O)[C@H]1O,CHEMBL604966_active,ADA,Active,1,-7.39497,-7.68,0.15,-7.230454979519274
OC[C@H]1O[C@@H](n2cnc3c2NC=NC[C@H]3O)[C@H](O)[C@@H]1O,CHEMBL284483_active,ADA,Active,1,-7.38521,-8.02,-0.03,-12.670294204124955
CCCCCCCCCCn1cc2c(N)ncnc2n1,CHEMBL363042_active,ADA,Active,1,-6.47019,-6.73,-0.81,-7.985713834072169
CCCCCCCCCCCn1cc2c(N)ncnc2n1,CHEMBL190495_active,ADA,Active,1,-8.22753,-6.24,-0.19,-7.544980762020136
Cc1ccccc1CCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,CHEMBL42063_active,ADA,Active,1,-9.79298,-8.58,-0.76,-11.428153623957396
C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc21,CHEMBL295003_active,ADA,Active,1,-11.0073,-8.54,0.06,-11.340068920467496
C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc21,CHEMBL295417_active,ADA,Active,1,-10.3967,-8.24,0.07,-10.030246265019962
C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc21,CHEMBL43742_active,ADA,Active,1,-10.3447,-8.15,0.33,-13.694539916013651
CCCCCCC(O)Cn1cc2c(N)ncnc2n1,CHEMBL191267_active,ADA,Active,1,-9.41991,-6.99,0.01,-14.673649140930449
Cc1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)c1,CHEMBL418074_active,ADA,Active,1,-10.2602,-8.51,0.41,-11.744043705253128
CCCCCC[C@H](C(C)O)n1cnc2c(N)ncnc21,CHEMBL280784_active,ADA,Active,1,-9.86235,-7.26,0.24,-9.889000418451795
CCC/C=C\C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,CHEMBL81390_active,ADA,Active,1,-9.64935,-7.71,0.4,-11.054440254441102
CCCCCC[C@H]([C@H](C)O)[N+]1([O-])C=Nc2c(N)ncnc21,CHEMBL127469_active,ADA,Active,1,-6.87713,-7.03,0.0,-7.963893397562362
CCCCCC[C@H]([C@@H](O)CF)n1cnc2c(N)nccc21,CHEMBL322906_active,ADA,Active,1,-8.97876,-7.21,0.1,-9.827299925497208
Cn1cc(CC[C@H](CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccc(Cl)cc3)ccc21,CHEMBL340297_active,ADA,Active,1,-11.3353,-9.96,-0.35,-18.601921565628267
CCCCCCC(C(C)O)n1cnc2c(N)nccc21,CHEMBL18496_active,ADA,Active,1,-9.31498,-6.47,0.15,-9.829266085505823
CCCCCC[C@H]([C@H](C)O)n1c(O)nc2c(N)ncnc21,CHEMBL123910_active,ADA,Active,1,-10.7354,-7.69,0.15,-9.868066328898848
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc32)cn1,CHEMBL125386_active,ADA,Active,1,-10.1806,-9.47,-0.02,-17.866152918181083
Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)nc2ccccc21,CHEMBL93280_active,ADA,Active,1,-10.2094,-10.0,-1.69,-9.543837723706844
CCCCCCCCCn1cc2c(N)ncnc2n1,CHEMBL189168_active,ADA,Active,1,-6.33812,-6.65,-0.56,-6.49605101832209
C[C@H](O)[C@@H](CCc1cccc2nc(-c3ccc(Cl)cc3)oc12)n1cnc(C(N)=O)c1,CHEMBL359803_active,ADA,Active,1,-11.0062,-9.4,0.41,-10.501391613516375
C[C@H](O)[C@@H](CCc1cccc2oc(-c3ccc(Cl)cc3)nc12)n1cnc(C(N)=O)c1,CHEMBL436332_active,ADA,Active,1,-10.4592,-9.6,-1.3,-10.130065538654824
C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(C(N)=O)c1,CHEMBL92404_active,ADA,Active,1,-8.88495,-8.34,0.16,-9.818954169586664
CCCCCCC(C(C)O)n1cnc2c(N)ccnc21,CHEMBL18838_active,ADA,Active,1,-7.96233,-7.13,-0.29,-7.849967329843341
C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1,CHEMBL93560_active,ADA,Active,1,-8.36599,-8.19,0.44,-9.36634838345603
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc32)cn1,CHEMBL121939_active,ADA,Active,1,-10.829,-9.67,-0.02,-25.062457984015
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCCc4ccccc4)cc32)cn1,CHEMBL123620_active,ADA,Active,1,-10.4984,-9.23,0.3,-21.905059280721623
C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(C(N)=O)c1,CHEMBL328139_active,ADA,Active,1,-8.88569,-7.74,0.08,-13.493942432345582
CCCCCCOc1ccc2c(c1)c(CC[C@H](CO)n1cnc(C(N)=O)c1)cn2C,CHEMBL125038_active,ADA,Active,1,-9.97956,-8.39,0.02,-16.745032399327975
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCc4ccc(Cl)cc4)cc32)cn1,CHEMBL340557_active,ADA,Active,1,-9.82189,-9.79,-0.19,-12.870210645781954
CCCCCC[C@H]([C@H](C)O)[N+]1([O-])C(=O)Nc2c(N)ncnc21,CHEMBL332871_active,ADA,Active,1,-7.37819,-6.66,0.28,-8.334283127473244
CC1=NC[C@@H](O)c2ncn([C@H]3C[C@@H](O)[C@@H](CO)O3)c2N1,CHEMBL33910_active,ADA,Active,1,-7.18569,-5.25,-0.19,-4.533716624412451
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4cccnc4)cc32)cn1,CHEMBL340086_active,ADA,Active,1,-9.60821,-9.44,0.14,-17.745867529020124
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCc4ccccc4)cc32)cn1,CHEMBL332298_active,ADA,Active,1,-10.2274,-9.38,-0.01,-21.42123398754025
CCCCCC(=O)Nc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1,CHEMBL334197_active,ADA,Active,1,-10.1408,-8.5,-1.17,-9.965607884251195
Cn1cc(CC[C@H](CO)n2cnc(C(N)=O)c2)c2cc(OCCCc3ccccc3)ccc21,CHEMBL334172_active,ADA,Active,1,-10.4373,-9.75,0.22,-18.215571226685743
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc32)cn1,CHEMBL338076_active,ADA,Active,1,-10.8085,-9.86,-0.02,-10.603647770403764
Cc1ccc(CCCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1,CHEMBL124728_active,ADA,Active,1,-10.1348,-9.78,0.11,-10.281900087444145
CCCCCCC(C(C)O)n1cnc(C(N)=O)c1,CHEMBL17825_active,ADA,Active,1,-7.93639,-6.63,0.44,-8.428206188864557
Cc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1,CHEMBL121714_active,ADA,Active,1,-10.3001,-9.71,0.08,-10.620824397077726
COC(=O)c1cc(C)ccc1CCCn1cnc2c1NC=NCC2O,CHEMBL35777_active,ADA,Active,1,-7.81339,-8.27,-0.24,-7.434810172697609
CCCCCC[C@H](CO)n1cnc2c(N)ncnc21,CHEMBL335918_active,ADA,Active,1,-9.8501,-7.47,0.42,-13.033360071759931
CCCCCCC(C(C)O)n1cnc(C(=N)S)c1,CHEMBL18433_active,ADA,Active,1,-10.9522,-6.58,0.46,-13.161383401119858
CNOC(=O)c1ccc(C)c(CCCn2cnc3c2NC=NCC3O)c1,CHEMBL36986_active,ADA,Active,1,-9.88894,-8.2,-1.63,-7.786828219743855
CCC/C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,CHEMBL81378_active,ADA,Active,1,-10.1614,-7.32,0.16,-10.024211278681497
CCCCCCC(C(C)O)n1cc2c(N)ncnc2n1,CHEMBL190280_active,ADA,Active,1,-7.63952,-7.56,0.51,-9.668740681951173
CCCCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1,CHEMBL333809_active,ADA,Active,1,-9.65067,-8.33,-1.12,-10.69870438057446
CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)ncnc21,CHEMBL132135_active,ADA,Active,1,-10.5749,-7.33,-0.12,-11.055910324713771
COc1ccc(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)cc1,CHEMBL125208_active,ADA,Active,1,-10.4545,-9.51,-0.27,-16.986390733702276
COC(=O)c1ccc(C)cc1CCCn1cnc2c1NC=NCC2O,CHEMBL290111_active,ADA,Active,1,-8.55333,-7.58,-0.44,-6.437132198256408
CCCCCCC(C(C)O)N1N=CC2C(N)=NC=NC21,CHEMBL193289_active,ADA,Active,1,-9.74879,-7.26,0.32,-8.769294011609858
CCCCCC[C@@H](C(C)O)n1cnc2c(N)ncnc21,CHEMBL286164_active,ADA,Active,1,-9.63026,-6.95,0.14,-10.8072557763491
COC(=O)c1ccc(C)c(CCCn2cnc3c2NC=NCC3O)c1,CHEMBL37183_active,ADA,Active,1,-8.1334,-8.76,-0.33,-8.33526273273073
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc4ccccc4)cc32)cn1,CHEMBL420174_active,ADA,Active,1,-10.2319,-9.55,-0.16,-10.103175610213482
C[C@@H](O)[C@H](COCCc1ccccc1)n1cnc2c(N)ncnc21,CHEMBL606664_active,ADA,Active,1,-9.25848,-7.79,-0.19,-9.600618452566485
CCCCCCC(C(C)O)n1cnc2cnccc21,CHEMBL329644_active,ADA,Active,1,-7.24736,-6.85,-0.07,-11.705320162604002
CCCCOC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc21,CHEMBL606665_active,ADA,Active,1,-8.31157,-6.79,-0.07,-7.659381707089408
CCCCCCC(C(C)O)n1cnc(C(N)=O)c1Cl,CHEMBL18078_active,ADA,Active,1,-7.54436,-6.71,0.44,-8.772778670761333
COC(=O)c1ccc(OC)c(CCCn2cnc3c2NC=NCC3O)c1,CHEMBL290770_active,ADA,Active,1,-8.05842,-7.91,-0.1,-9.157787711604566
CCc1cccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)c1,CHEMBL43226_active,ADA,Active,1,-9.64249,-8.38,-0.24,-8.413956221581897
COC(=O)c1cccc(CCCn2cnc3c2NC=NCC3O)c1,CHEMBL290381_active,ADA,Active,1,-8.32514,-8.32,-0.74,-9.22052933527062
COC(=O)c1ccccc1CCCn1cnc2c1NC=NCC2O,CHEMBL290030_active,ADA,Active,1,-7.29851,-7.19,-0.14,-7.499117930466496
COC(=O)c1ccc2ccccc2c1CCCn1cnc2c1NC=NCC2O,CHEMBL37181_active,ADA,Active,1,-9.02307,-8.18,-0.64,-8.124399226868123
Nc1ccnc2c1ncn2C1CC(O)C(CO)O1,CHEMBL128787_active,ADA,Active,1,-8.68952,-7.13,0.09,-8.185592662283323
CCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1,CHEMBL125275_active,ADA,Active,1,-9.78329,-7.31,-0.35,-8.695197274316351
CNc1ccnc2c1ncn2C1CC(O)C(CO)O1,CHEMBL405920_active,ADA,Active,1,-8.31131,-7.52,-0.46,-7.954426749918046
OCC1OC(n2cnc3c(NO)ccnc32)CC1O,CHEMBL306270_active,ADA,Active,1,-7.29286,-7.12,-0.78,-6.761157075805395
CCCCCCC(C(C)O)n1cncn1,CHEMBL65628_active,ADA,Active,1,-6.94245,-5.78,0.28,-7.056820586778565
CCCc1ccccc1C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,CHEMBL606666_active,ADA,Active,1,-10.6316,-8.49,-0.32,-12.309491306138398
Cc1ccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)cc1,CHEMBL43261_active,ADA,Active,1,-9.50141,-8.38,0.0,-11.017405307448383
COC(=O)c1c(F)cccc1CCCn1cnc2c1NC=NCC2O,CHEMBL35724_active,ADA,Active,1,-9.00571,-7.71,-0.39,-8.04299391481009
CCCCCCCn1cnc2c1NC=NCC2O,CHEMBL38218_active,ADA,Active,1,-6.84753,-5.86,0.04,-6.967591366775749
CCCCCCC(C(C)O)n1cnc(C(=O)NC)c1,CHEMBL17889_active,ADA,Active,1,-7.62698,-6.69,0.27,-12.894750414527964
Nc1ccnc2c1ncn2C1O[C@H](CO)[C@@H](O)[C@H]1O,CHEMBL17351_active,ADA,Active,1,-5.98946,-8.84,0.26,-6.92118979702652
CCCCCCCCn1cnc2c1NC=NCC2O,CHEMBL290949_active,ADA,Active,1,-7.65673,-7.15,-0.52,-7.358598656956249
CCCCCCn1cnc2c1NC=NCC2O,CHEMBL37246_active,ADA,Active,1,-6.69359,-7.01,0.06,-8.059016804934316
CCCCCC[C@H]([C@@H](O)CO)n1cnc2c(N)nccc21,CHEMBL104714_active,ADA,Active,1,-10.3688,-6.81,-0.05,-12.524895020778567
CCOC(=O)c1cc(CCn2cnc3c2NC=NCC3O)c2c(c1Br)CCCC2,CHEMBL157669_active,ADA,Active,1,-9.33902,-8.23,-0.95,-7.101509471615691
CCCCCCCCn1cc2c(N)ncnc2n1,CHEMBL364717_active,ADA,Active,1,-7.74664,-6.79,-0.03,-7.492572377509099
CCCCCCC(C(C)O)n1cnc2cccnc21,CHEMBL96719_active,ADA,Active,1,-6.90535,-6.93,-0.51,-11.333110490844616
NC(=O)c1cn(C(CO)CCc2cccc3ccccc23)cn1,CHEMBL327830_active,ADA,Active,1,-8.81485,-8.25,-0.72,-8.139497118729363
CCCCCCC(C(C)O)n1cnnn1,CHEMBL292750_active,ADA,Active,1,-7.69346,-5.61,-0.34,-7.61113855010833
N=C(N)Nc1nc(-c2ccc(CNc3nc4ccccc4[nH]3)s2)cs1,CHEMBL93647_active,ADA,Active,1,-11.1869,-8.29,-0.51,-10.98613376989736
CCCCCCC(C(C)O)n1ccnc1,CHEMBL64503_active,ADA,Active,1,-7.27833,-6.32,0.06,-7.969965166010285
O=C(OCc1ccccc1)c1cc2c(c(CCn3cnc4c3NC=NCC4O)c1)CCCC2,CHEMBL157723_active,ADA,Active,1,-10.7364,-5.02,-1.74,-5.804351723918454
CCCCCCCn1cc2c(N)ncnc2n1,CHEMBL426443_active,ADA,Active,1,-6.36816,-5.83,-0.26,-5.747364241027306
CCCCCC[C@H]([C@@H]1CO1)n1cnc2c(N)ncnc21,CHEMBL132985_active,ADA,Active,1,-8.15651,-7.04,0.33,-9.534282058567836
CCCCCCC(C(C)O)n1cnc(C(=O)NCCO)c1,CHEMBL18188_active,ADA,Active,1,-7.49578,-7.02,-1.54,-8.615768961765413
COC(=O)CCCCCCCn1cnc2c1NC=NCC2O,CHEMBL38306_active,ADA,Active,1,-6.78371,-6.44,-0.09,-6.176604645673003
CCOC(=O)CCCCCCn1cnc2c1NC=NCC2O,CHEMBL37053_active,ADA,Active,1,-6.84011,-6.97,-0.68,-9.783262353790152
Cc1ccc(C(=O)NC(=S)NNC(N)=S)cc1I,C06503852_decoy,ADA,Decoy,0,-9.15571,-6.52,0.09,-7.670872309179916
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)[C@@H](C)Sc1nc(N)cc(N)n1,C07692711_decoy,ADA,Decoy,0,-9.20872,-7.87,-1.41,-8.267448028774472
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2,C07978054_decoy,ADA,Decoy,0,-8.92512,-9.16,-2.42,-9.075068703377646
C[C@@H](CCC(=O)NN)[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@H]4C[C@@H](O)CC[C@]4(C)[C@@H]3CC[C@]12C,C08497416_decoy,ADA,Decoy,0,-12.5224,-10.8,-1.21,-10.949264659868488
C[C@H](Sc1nc(N)cc(N)n1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl,C08723910_decoy,ADA,Decoy,0,-7.30672,-6.84,-1.79,-5.220980905469402
C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccccc1Sc1ccccc1,C08944654_decoy,ADA,Decoy,0,-10.9749,-9.27,-1.84,-10.187255830476271
C[C@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(C(F)(F)F)cc1,C09366684_decoy,ADA,Decoy,0,-6.2094,-7.96,-0.55,-7.086610865212694
C[C@@H](Sc1nc(N)nc(N)n1)C(=O)Nc1ccc(C(F)(F)F)cc1,C09366685_decoy,ADA,Decoy,0,-9.12311,-7.94,-0.08,-8.695476389474898
Cc1sc2nc([C@H](C)Sc3nc(N)cc(N)n3)nc(N)c2c1C,C10658656_decoy,ADA,Decoy,0,-8.60746,-8.42,-0.51,-7.426268687858264
Nc1nc(N)nc(CSc2nc(-c3cccs3)c(-c3cccs3)[nH]2)n1,C06933458_decoy,ADA,Decoy,0,-9.87137,-7.85,-1.82,-7.898354579585676
CC(C)(C)[C@@H]1CCc2sc(C(=O)NNC(=O)c3ccc(NC(N)=O)cc3)cc2C1,C14395035_decoy,ADA,Decoy,0,-9.8388,-7.26,-1.38,-8.210890929521943
Cc1ccccc1N/N=C\c1ccc(-c2ccc(S(=O)(=O)N=C(N)N)cc2)o1,C19594485_decoy,ADA,Decoy,0,-10.1283,-8.38,-0.86,-8.841673306587568
N#Cc1cc2c(N)c(C(=O)Nc3ccc(OC(F)(F)F)cc3)sc2nc1N,C20029335_decoy,ADA,Decoy,0,-7.74784,-8.17,-0.59,-6.881565946081772
CC[C@@H](C)[C@H](NC(N)=O)C(=O)NNC(=O)c1ccc(C(C)(C)C)cc1,C25258029_decoy,ADA,Decoy,0,-8.26564,-8.58,-0.1,-8.322285897264944
Nc1nc(N)c(/N=N/c2ccc(Cl)cc2)c(Nc2ccccc2)n1,C25493233_decoy,ADA,Decoy,0,-8.21032,-8.37,-0.03,-11.063376557949256
C[C@H](Sc1nc(N)c2ccsc2n1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,C32841122_decoy,ADA,Decoy,0,-9.42385,-9.56,-0.47,-7.852180454866045
N/C(=N\C(=O)Nc1ccc(F)cc1)Nc1[nH+]c(=O)c2ccccc2s1,C18113681_decoy,ADA,Decoy,0,-7.57293,-10.92,-1.56,-8.512671934773307
Cc1cc(Br)ccc1Nc1ccc(S(N)(=O)=O)cc1N,C36926825_decoy,ADA,Decoy,0,-9.42815,-4.75,-0.95,-4.340665852010046
NS(=O)(=O)Nc1cccc(NCc2cc(Cl)ccc2O)c1,C37130883_decoy,ADA,Decoy,0,-9.27341,-7.31,-1.79,-7.156324131494867
C/C(=C\C(=O)Nc1cccc2c1CCCC2)NNC(=O)c1ccccc1N,C05027176_decoy,ADA,Decoy,0,-8.89848,-7.15,-1.34,-5.851041465957495
CC1=C[C@@H](C)N(c2ccc(C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(N)=O)cc2)N1,C38734499_decoy,ADA,Decoy,0,-10.9086,-10.32,-0.78,-10.536158491887289
CCOC(=O)c1ccc(NC(=O)c2sc3nc(N)c(C#N)c(C)c3c2N)cc1,C39335673_decoy,ADA,Decoy,0,-10.1959,-6.83,-0.75,-6.000048120982268
O=C(C[C@@H]1CS[C@@H](NC(=O)NC2CCCC2)N1)NCCc1c[nH]c2ccccc12,C39382300_decoy,ADA,Decoy,0,-8.87,-9.9,-0.71,-8.63646083187281
Cc1cc(C)cc(N2N[NH2+]N[C@H]2SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1,C39646948_decoy,ADA,Decoy,0,-12.0534,-5.16,-1.68,-5.66035744103909
Cc1ccc(N2N[NH2+]N[C@H]2SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)cc1C,C39646986_decoy,ADA,Decoy,0,-10.0247,-5.26,-0.69,-5.458085945952883
[H]/N=C1\[C@H](C(N)=O)S[C@H](Nc2ccccc2)[C@@H]1C1[NH+]=c2ccccc2=[NH+]1,C39774178_decoy,ADA,Decoy,0,-9.04738,-7.57,-0.32,-8.284193026267769
Cc1cc(C)cc(Nc2ncnc(NNC(=O)c3ccco3)c2N)c1,C40682109_decoy,ADA,Decoy,0,-7.86588,-9.29,-1.76,-8.049370371709015
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1Nc1ncnc(NN)c1N,C40688752_decoy,ADA,Decoy,0,-10.032,-9.11,-1.52,-7.345401567027299
Nc1c(NNC(=O)c2ccccc2)ncnc1Nc1ccccc1C(F)(F)F,C40701816_decoy,ADA,Decoy,0,-7.31607,-9.61,-0.73,-8.556772874742853
Cc1cc(Cl)ccc1Nc1ncnc(NNC(=O)c2ccccn2)c1N,C40703377_decoy,ADA,Decoy,0,-8.56307,-8.56,-0.86,-11.190530853119837
Nc1c(NNC(=O)c2ccccc2F)ncnc1Nc1nc2ccccc2s1,C40761077_decoy,ADA,Decoy,0,-8.65163,-6.54,-0.64,-6.564813197239863
Nc1c(NNC(=O)c2ccc(F)cc2)ncnc1Nc1ccc(Cl)cn1,C40779430_decoy,ADA,Decoy,0,-7.84275,-9.17,-0.68,-14.058625294672176
CC(=O)c1ccc(Nc2ncnc(NNC(=O)c3ccc(F)cc3)c2N)cc1,C40782776_decoy,ADA,Decoy,0,-7.88432,-10.16,-1.57,-8.393127151057772
Nc1c(NNC(=O)c2ccccc2)ncnc1Nc1ccc(Cl)cc1Cl,C40783275_decoy,ADA,Decoy,0,-8.7432,-5.06,-0.55,-4.856683471955269
Nc1c(NNC(=O)c2ccccn2)ncnc1Nc1ccc(Cl)cc1Cl,C40783292_decoy,ADA,Decoy,0,-8.54469,-8.49,-1.03,-7.759382022191467
Nc1c(NNC(=O)c2ccccc2)ncnc1Nc1ccc(Br)cc1F,C40784123_decoy,ADA,Decoy,0,-8.78739,-6.81,-4.09,-6.9862722494691045
C[C@H](Sc1nc(N)cc(N)n1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1,C43734921_decoy,ADA,Decoy,0,-10.1413,-6.78,-0.49,-7.793457551381406
C[C@@H](Sc1nc(N)cc(N)n1)c1nc2scc(-c3cccs3)c2c(=O)[nH]1,C43734922_decoy,ADA,Decoy,0,-9.47406,-8.76,-1.01,-8.64346279481646
C[C@@H](Nc1ccc(S(N)(=O)=O)cc1N)c1ccc(Cl)s1,C49127790_decoy,ADA,Decoy,0,-8.26585,-7.47,-0.67,-6.91187385407022
[NH3+][C@@H]1CCCC[C@@H]1NC(=O)Nc1ccc(Br)cc1C(=O)[O-],C50208892_decoy,ADA,Decoy,0,-8.05966,-7.67,0.06,-7.4815301612617535
CNC(=O)Nc1ccc(NC(=O)C(=O)NNc2ccc(Cl)cc2Cl)cc1,C50557364_decoy,ADA,Decoy,0,-8.42243,-9.37,-1.0,-8.398075335172885
C/C(=C\C(=O)Nc1ccc(N(C)C)cc1)NNC(=O)c1ccc(O)cc1O,C05249905_decoy,ADA,Decoy,0,-8.78587,-8.23,-0.87,-13.35711193997622
N#Cc1c(NC(=O)CSc2nc(N)cc(N)n2)sc2c1CCCCC2,C06547950_decoy,ADA,Decoy,0,-10.3614,-8.38,-0.35,-8.031026312781124
CC1=C(C(=O)N/N=C/c2ccc(O)cc2O)[C@@H](c2ccc(Cl)cc2)NC(=S)N1,C59384216_decoy,ADA,Decoy,0,-9.92247,-7.91,-0.54,-8.524414139320731
CC1=C(C(=O)N/N=C/c2ccc(O)cc2O)[C@@H](c2ccc(O)cc2)NC(=S)N1,C59385071_decoy,ADA,Decoy,0,-10.9781,-7.78,-2.45,-8.843170863443962
N/C(=N\C(=O)c1cc(Cl)c(N)cc1N)NCc1ccc(Cl)c(Cl)c1,C34650494_decoy,ADA,Decoy,0,-10.0266,-10.26,-1.02,-14.15234148177538
Cc1cc(C(=O)NC2CCCC2)ccc1NC(=O)c1cccc(NC(N)=O)c1,C65598299_decoy,ADA,Decoy,0,-9.086,-8.61,-0.73,-11.621247990897036
Cc1[nH]c2ccc(CNC(=O)NNC(=S)NC3CCCC3)cc2c1C,C65696165_decoy,ADA,Decoy,0,-9.13307,-7.06,-0.73,-6.435048095992644
C[C@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)c1ccc(NC(N)=O)cc1,C67164073_decoy,ADA,Decoy,0,-7.28923,-7.18,-0.7,-6.395487489801548
CC[C@H](C)[C@H](NC(N)=O)C(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1,C67467479_decoy,ADA,Decoy,0,-9.58714,-7.38,-0.5,-9.906234553028884
[H]/N=C1C(=N\Nc2ccc(Cl)cc2Cl)\C(=[NH2+])NN\1c1ccccc1,C04477457_decoy,ADA,Decoy,0,-9.00363,-9.26,-0.49,-8.121780554042767
[H]/N=C1C(=N\Nc2c(Cl)cc(Cl)cc2Cl)\C(=[NH2+])NN\1c1ccccc1,C04477459_decoy,ADA,Decoy,0,-9.8927,-8.81,-0.66,-11.673386539044843
[NH2+]=C(NO)N/N=C/c1cccc(I)c1,C01582792_decoy,ADA,Decoy,0,-9.89602,-6.72,-0.29,-7.369494449804796
Nc1cc(F)ccc1NC(=O)C[NH+]1CCCC[C@H]1CCO,C22170218_decoy,ADA,Decoy,0,-7.6659,-5.93,-1.82,-5.131651367065671
C[C@H]1CCCC[C@@H]1[NH+](Cc1ccc(C(N)=O)cc1)Cc1ccc(C(N)=O)cc1,C31468968_decoy,ADA,Decoy,0,-9.05541,-9.02,-1.16,-9.831990969387697
NC(=O)C[NH+](Cc1ccc(N)cc1)Cc1ccc(Br)cc1,C35366625_decoy,ADA,Decoy,0,-8.7096,-8.2,-0.92,-8.738778528101738
NS(=O)(=O)c1ccccc1N[C@H]1CC[NH2+]C2(CCC2)C1,C36268863_decoy,ADA,Decoy,0,-9.2217,-7.05,-0.71,-6.4031588259641685
NS(=O)(=O)c1ccc(N[C@H]2CC[NH2+]C3(CCC3)C2)nc1,C36269049_decoy,ADA,Decoy,0,-9.38921,-6.09,-0.39,-5.431907484815903
Cc1cc(S(N)(=O)=O)cc(NC(=O)[C@H]2CSC[NH2+]2)c1C,C37017632_decoy,ADA,Decoy,0,-8.78637,-7.43,-0.22,-6.801887078303271
CNC(=O)c1ccc(Cl)c(NC(=O)[C@](C)([NH3+])C2CC2)c1,C37615351_decoy,ADA,Decoy,0,-7.38223,-6.98,-0.41,-7.216145035045279
NC(=O)C[C@H]([NH3+])C(=O)N(Cc1cccs1)Cc1cccs1,C37801233_decoy,ADA,Decoy,0,-8.65104,-6.64,-0.09,-8.779431304593764
NC(=O)[C@@]1([NH2+]Cc2cccs2)COc2cc(O)ccc21,C37946468_decoy,ADA,Decoy,0,-8.3874,-7.75,-1.15,-6.920075797464451
CC(C)NS(=O)(=O)c1ccccc1N[C@@H]1CCCC[C@H]1[NH3+],C38050836_decoy,ADA,Decoy,0,-7.35551,-6.1,-0.84,-5.136842739243048
CCNS(=O)(=O)c1ccc(N[C@@H]2CCCC[C@H]2[NH3+])cc1,C38050928_decoy,ADA,Decoy,0,-8.83124,-7.79,-1.06,-8.305298263952727
Nc1nc(-c2cccc[nH+]2)nc(N)c1Cc1ccc(Cl)cc1Cl,C02559813_decoy,ADA,Decoy,0,-8.26024,-8.65,-1.01,-6.901123520962408
CC(C)(C)[C@H]([NH3+])C(=O)Nc1ccc2c(c1)NC(=O)CS2,C40463528_decoy,ADA,Decoy,0,-8.31507,-7.08,-0.93,-7.0228486714013805
Cc1ccccc1N1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1,C40857604_decoy,ADA,Decoy,0,-7.66166,-7.98,-0.25,-7.032701280943386
[NH3+]CCCNC(=O)c1ccc(CNC(=O)c2cccs2)cc1,C41581878_decoy,ADA,Decoy,0,-7.96341,-6.36,-0.39,-8.548286511614918
NC(=O)[C@@H]1CCCCN1c1ccc(C[NH3+])c(C(F)(F)F)c1,C42403571_decoy,ADA,Decoy,0,-7.58914,-8.42,-1.13,-7.455756332615737
Cc1cc(C)c(C(N)=S)c(N2CCCC[C@H]2C(N)=O)[nH+]1,C42406572_decoy,ADA,Decoy,0,-8.1268,-6.93,-1.0,-6.295599035516725
CC[C@@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC(CC(N)=O)CC1,C43242773_decoy,ADA,Decoy,0,-8.62515,-7.27,-0.77,-8.082355020840293
CC[C@@H]([NH3+])[C@H](c1sccc1C)N1C[C@H](C(N)=O)CC[C@@H]1C,C43248745_decoy,ADA,Decoy,0,-7.77002,-7.42,-3.39,-7.242482154790226
CC[C@@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1C[C@H](C(N)=O)CC[C@@H]1C,C43253783_decoy,ADA,Decoy,0,-8.12471,-7.08,-2.57,-6.6351470157470285
NC[C@@H](c1ccc(Br)s1)[NH+]1CCC[C@@H]1C(N)=O,C43259442_decoy,ADA,Decoy,0,-10.3003,-6.69,-0.96,-7.893080528971268
C[C@@H]([NH3+])[C@@H](c1cc(Br)cs1)N(CC(N)=O)C1CCCC1,C43287286_decoy,ADA,Decoy,0,-9.41477,-6.94,-0.45,-8.19314190601798
N/C(=N/O)c1cc2c([nH+]c1N1CCC[C@H]1CO)CCCC2,C43410643_decoy,ADA,Decoy,0,-10.3567,-8.91,-1.05,-9.087959288683336
[NH3+][C@H](CSc1ccccc1)[C@@H](O)C[NH+]1C[C@@H]2CCCC[C@@H]2C[C@H]1C(=O)[O-],C44135689_decoy,ADA,Decoy,0,-9.18528,-8.89,-2.48,-8.605815811941289
NC(=O)C[C@@H]([NH3+])c1ccc(-c2ccccc2OC(F)(F)F)o1,C44251906_decoy,ADA,Decoy,0,-6.67657,-7.7,-0.35,-9.117032639536442
NC(=O)c1ccc(N2CCCC[C@@H]2C[NH3+])cc1C(F)(F)F,C44559332_decoy,ADA,Decoy,0,-6.7093,-7.59,-1.89,-6.102938960911908
CC(C)(C)C1CCC([NH2+][C@@H]2CCCC[C@@H]2[NH3+])(C(=O)[O-])CC1,C48846463_decoy,ADA,Decoy,0,-7.46678,-8.3,-0.22,-7.9835426870154755
CC(C)Cc1c2c([nH+]c3sc(C(N)=O)c(N)c13)CCCCCC2,C49068521_decoy,ADA,Decoy,0,-8.72272,-8.5,-0.35,-7.770504552019454
C[C@H](Cc1ccsc1)[NH2+][C@@H](C)c1ccc(NC(N)=O)cc1,C49156854_decoy,ADA,Decoy,0,-7.44896,-6.71,-0.45,-5.66723096341637
CC(=O)Nc1ccc(NC(=O)[C@@H]2C[C@H]2[NH3+])c(C(F)(F)F)c1,C50460870_decoy,ADA,Decoy,0,-7.02963,-7.41,-0.87,-7.1498203631685335
NNc1ccc(Cl)c(C(=O)N[C@H]2CC[NH+]3CCC[C@H]23)n1,C51116619_decoy,ADA,Decoy,0,-9.5488,-8.28,-0.82,-8.420908937968703
C[C@H](CNC(=O)c1cc(Cl)ccc1NN)[NH+]1CCCCC1,C51120531_decoy,ADA,Decoy,0,-9.62912,-8.52,-0.66,-8.751062569077101
C[C@@]([NH2+]CCC[NH3+])(C(=O)[O-])c1ccc(OC(F)(F)F)cc1,C51355529_decoy,ADA,Decoy,0,-7.36935,-6.25,-0.89,-6.992590454449294
[NH3+]C1CCC(Nc2ccc(S(=O)(=O)NC3CC3)cc2)CC1,C51693877_decoy,ADA,Decoy,0,-9.02661,-6.96,-0.76,-7.296860877143527
NC(=O)CC1CC[NH+]([C@H](CC(N)=S)c2ccccc2)CC1,C55025267_decoy,ADA,Decoy,0,-9.97289,-8.2,-0.87,-9.722701484859796
Nc1cccc(-c2nc3cc(F)c(F)cc3n2CCCC[NH3+])c1,C57830822_decoy,ADA,Decoy,0,-7.15235,-7.84,-2.12,-7.018375666780089
Cc1cccc(N2CC[NH+](Cc3ccc(N)c(N)c3)CC2)c1C,C58267489_decoy,ADA,Decoy,0,-7.97411,-8.04,-0.62,-7.463298064724098
CC[C@@H]([NH3+])[C@H](c1ccc(Br)cc1)N1CCC[C@H](C(N)=O)C1,C42952163_decoy,ADA,Decoy,0,-8.67168,-6.66,-0.74,-7.001700843708744
C[C@H]([NH2+][C@H](C)C(=O)Nc1ccc(C(N)=O)cc1)c1ccc2c(c1)CCCC2,C07744362_decoy,ADA,Decoy,0,-9.23239,-10.13,-0.57,-16.569229225269762
NC(=[NH2+])c1ccc(N(CCO)C2CCCCC2)cc1Cl,C61856709_decoy,ADA,Decoy,0,-13.8605,-8.85,0.08,-11.810833351135804
CCCC1(C(=O)NC2CCC(C(N)=O)CC2)CC[NH2+]CC1,C62848488_decoy,ADA,Decoy,0,-8.09924,-6.88,-0.26,-9.494672887283896
Nc1cc(N2CC[C@H]([NH+]3CCCC3)C2)cc(S(N)(=O)=O)c1,C62975911_decoy,ADA,Decoy,0,-8.82789,-8.36,-1.31,-7.273696926203623
NNc1c(F)cc(C(=O)N[C@H]2CC[NH+]3CCC[C@H]23)cc1F,C63007783_decoy,ADA,Decoy,0,-9.34875,-7.2,-0.51,-6.6652611000840105
C[C@@]([NH3+])(CCCCSc1ccc(S(C)(=O)=O)cc1)C(N)=O,C63131895_decoy,ADA,Decoy,0,-7.68438,-6.92,-0.8,-8.869880325314526
CCCNS(=O)(=O)c1ccccc1N[C@@H]1CCC[C@H]1[NH3+],C63177758_decoy,ADA,Decoy,0,-7.90109,-6.53,-1.63,-7.576533515769127
[NH3+][C@H]1CCCCC[C@@H]1NS(=O)(=O)c1c[nH]c2ncccc12,C63213239_decoy,ADA,Decoy,0,-7.67773,-8.64,0.28,-8.171886845156852
COc1ccccc1[C@@H]1N[C@@H](C(=O)NN)CC2=c3ccccc3=[NH+][C@@H]21,C63349888_decoy,ADA,Decoy,0,-9.57016,-5.06,-0.14,-4.783521650357763
NNC(=O)CCn1c(=S)[nH]c2ccsc2c1=O,C02932451_decoy,ADA,Decoy,0,-9.88783,-7.2,-0.36,-9.697799778022224
O=C1NCCC[C@@H]1C(=O)NC[C@@H](O)CO,C00192456_decoy,ADA,Decoy,0,-6.83822,-6.94,-0.84,-6.571257567498519
CC1(C)O[C@H]([C@@H](O)CO)[C@@H]([C@@H](O)CO)O1,C00056733_decoy,ADA,Decoy,0,-6.63894,-6.37,-0.07,-5.965412355689134
C[C@@]12OC(N)=C(C#N)[C@]1(C#N)C(N)=NC2=O,C04765034_decoy,ADA,Decoy,0,-6.17622,-5.8,-1.39,-3.869549746664137
CC1(C)C[C@@]2(CCO1)NNC(=O)[C@@H]1C(=O)NNC(=O)[C@H]12,C05024945_decoy,ADA,Decoy,0,-7.34098,-7.07,0.46,-5.082940969638005
C[C@H]1CS(=O)(=O)C[C@@H]1C(C(N)=O)C(N)=O,C03123976_decoy,ADA,Decoy,0,-7.31284,-6.14,0.38,-6.55306528104712
C[C@H]1CS(=O)(=O)C[C@H]1C(C(N)=O)C(N)=O,C05211799_decoy,ADA,Decoy,0,-6.19055,-6.09,0.36,-6.813492285048084
O=c1ccn([C@H]2C=C(CO)[C@@H](O)[C@@H]2O)c(O)c1,C06591401_decoy,ADA,Decoy,0,-7.90794,-7.71,-0.02,-7.197863690900088
Nc1nc2c(c(=O)[nH]1)N1C(=O)OC[C@@H]1CN2,C12503474_decoy,ADA,Decoy,0,-5.69148,-7.44,0.4,-5.40173057428629
NC(=O)CSc1nnc(C(F)(F)F)n1N,C05993525_decoy,ADA,Decoy,0,-5.46447,-6.46,-1.65,-6.501451517588707
C[C@H](CO)NC(=O)[C@@H]1CCCN(C(N)=O)C1,C35234222_decoy,ADA,Decoy,0,-6.77024,-6.25,0.4,-6.8652800809378975
NC(=O)c1ccc(CN2C(=O)CCCC2=O)c(N)c1,C35326996_decoy,ADA,Decoy,0,-6.2126,-7.51,-0.13,-5.995895570699762
[NH3+][N-]S(=O)(=O)c1ccc2c(c1)CC(=O)N2,C35431161_decoy,ADA,Decoy,0,-7.53303,-6.57,-0.29,-6.056030719416713
CC(=O)N[C@H]1CCCN(C(=O)c2cc(N)c[nH]2)C1,C40328225_decoy,ADA,Decoy,0,-5.68753,-4.6,-0.76,-3.61681493317901
[NH3+]C1(C(=O)N2C[C@@H](O)C[C@@H]2C(=O)[O-])CCCCC1,C40470534_decoy,ADA,Decoy,0,-6.87778,-5.02,0.25,-4.263850513211104
Nc1ncn(-c2ccc(S(N)(=O)=O)cn2)n1,C40516910_decoy,ADA,Decoy,0,-8.52381,-7.15,-0.11,-6.069469248076805
CC(C)[C@@H](NC(=O)NC1CC[NH2+]CC1)C(=O)[O-],C42429721_decoy,ADA,Decoy,0,-5.85405,-3.19,-0.92,-3.268184427535543
CC(C)[C@H](NC(=O)N1CCC([NH3+])CC1)C(=O)[O-],C42429972_decoy,ADA,Decoy,0,-6.4514,-5.17,-0.48,-4.310893264770398
CC(C)[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)C(=O)[O-],C42430297_decoy,ADA,Decoy,0,-6.65267,-5.02,-1.46,-4.072112400731003
CC[C@@H](NC(=O)N1CCC[C@H]([NH3+])C1)C(=O)[O-],C42430337_decoy,ADA,Decoy,0,-7.39104,-4.46,0.24,-4.348682353878233
CCC[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)C(=O)[O-],C42430352_decoy,ADA,Decoy,0,-6.14842,-5.39,0.72,-4.810983336535918
CCN(CC(=O)[O-])C(=O)N[C@@H]1CCCC[C@@H]1[NH3+],C42431184_decoy,ADA,Decoy,0,-6.67035,-6.29,0.09,-6.954413389599935
[NH3+]CCNC(=O)N1CCO[C@H](C(=O)[O-])C1,C43706734_decoy,ADA,Decoy,0,-5.60512,-4.01,0.25,-3.6762977531987873
CC[C@H](C(=O)[O-])N(C)C(=O)N[C@H]1CCCC[C@@H]1[NH3+],C44629193_decoy,ADA,Decoy,0,-7.17465,-6.11,-0.15,-6.013151808177046
C[C@@H](NC(=O)[C@@H]([NH3+])C(C)(C)C)c1nnn[n-]1,C44932450_decoy,ADA,Decoy,0,-7.17458,-4.84,-0.19,-4.798958740901147
CC1CCC(NC(=O)NC2CC[NH2+]CC2)(C(=O)[O-])CC1,C48835240_decoy,ADA,Decoy,0,-7.87976,-6.15,-0.25,-5.321561148893069
C[C@@H]1CCC[C@](NC(=O)N2CCC([NH3+])CC2)(C(=O)[O-])C1,C48836062_decoy,ADA,Decoy,0,-6.77345,-4.0,-1.06,-3.502558900608217
[NH3+][C@@H]1CCCN(C(=O)NC2(C(=O)[O-])CCCCC2)C1,C48837507_decoy,ADA,Decoy,0,-7.27741,-6.95,-0.83,-6.920668775937024
[NH3+][C@H]1CCCC[C@H]1NC(=O)N1CCCC[C@@H]1C(=O)[O-],C48843592_decoy,ADA,Decoy,0,-7.45158,-8.22,-1.7,-7.660692944839677
O=C1NCCC[C@@H]1Nc1n[nH]c(=O)[nH]c1=O,C50212944_decoy,ADA,Decoy,0,-5.68748,-7.18,0.0,-8.06566916629578
[NH3+][C@@H]1CCN(C(=O)NC2(C(=O)[O-])CCCC2)C1,C50244608_decoy,ADA,Decoy,0,-6.50701,-4.88,0.02,-4.059708454654325
[NH3+][C@@H]1CCN(C(=O)N[C@H](C(=O)[O-])C2CCCCC2)C1,C50244693_decoy,ADA,Decoy,0,-5.5633,-8.08,-0.56,-8.992289304839845
[NH3+]C[C@@H]1CCN(C(=O)NC2(C(=O)[O-])CCCCC2)C1,C50251080_decoy,ADA,Decoy,0,-7.88108,-6.07,-1.26,-6.667461671370488
Nc1ccc(S(N)(=O)=O)c([N+](=O)[O-])c1,C50649767_decoy,ADA,Decoy,0,-5.54972,-6.33,0.18,-5.582994950151059
[NH3+]CCCNC(=O)N1CCO[C@H](C(=O)[O-])C1,C51355416_decoy,ADA,Decoy,0,-5.18106,-5.9,-0.35,-4.5224152083625535
C[C@H](CNC(=O)[C@@H]1C[C@H](O)C[NH2+]1)C(=O)[O-],C54335148_decoy,ADA,Decoy,0,-6.03894,-5.82,-0.37,-6.030685882852695
C[C@H](CNC(=O)NC1CC[NH2+]CC1)C(=O)[O-],C54336291_decoy,ADA,Decoy,0,-6.49983,-4.85,-0.33,-4.5122613631688
[NH3+][C@H]1CCN(C(=O)N[C@@H](C(=O)[O-])C2CC2)C1,C54525752_decoy,ADA,Decoy,0,-6.30871,-5.59,-0.05,-7.1639467118114695
Cc1nc(N)sc1C(=O)N(C)CC(N)=O,C55171334_decoy,ADA,Decoy,0,-8.16809,-6.06,-0.48,-7.489885499282495
CNC(=O)NNC(=O)[C@@H](NC(C)=O)C(C)C,C56371557_decoy,ADA,Decoy,0,-5.77288,-6.38,0.04,-8.592888337335419
Cc1n[nH]c2c1[C@H](c1ccoc1)C(C#N)=C(N)N2,C00809312_decoy,ADA,Decoy,0,-7.17454,-7.15,0.98,-6.963510374772832
O=C([O-])N1CCN(C(=O)[O-])[C@H]2[NH2+]C[NH2+][C@H]21,C58951144_decoy,ADA,Decoy,0,-6.28025,-5.19,-1.52,-3.678378024442887
NC1=NC(=O)[C@@H]([C@]2(O)C(=O)Nc3ccc(F)cc32)S1,C17878833_decoy,ADA,Decoy,0,-9.53823,-6.75,-0.25,-7.640328746656774
Nc1[nH][nH+]cc1S(=O)(=O)[N-]c1ccon1,C61685173_decoy,ADA,Decoy,0,-7.31893,-5.99,-0.58,-6.599884243650078
NC(=S)[C@@H]1CCC[C@@H]1NS(=O)(=O)c1cn[nH]c1,C61886727_decoy,ADA,Decoy,0,-7.36359,-6.75,-0.03,-7.136307476759866
C[C@]1(C(=O)[O-])CC[NH+](CC(=O)NC(N)=O)C1,C62936186_decoy,ADA,Decoy,0,-5.83298,-6.19,-0.27,-5.782572913476977
[NH3+][C@@H]1CCN(C(=O)Nc2cncc(C(=O)[O-])c2)C1,C62948137_decoy,ADA,Decoy,0,-7.63219,-6.61,0.18,-6.859350669047716
CNC(=O)NC(C)(C)C(=O)N[C@@H]1CCCNC1=O,C50633679_decoy,ADA,Decoy,0,-5.98431,-6.84,-0.75,-7.385857458530475
CC1(C)O[C@@H]2[C@H](O)[C@H](O)[C@H](O)[C@H](O)[C@@H]2O1,C34198910_decoy,ADA,Decoy,0,-6.68689,-4.67,-0.22,-2.613918773082579
NC(=O)CN1CCC[C@@H](NC(=O)c2ccc[nH]c2=O)C1,C66451116_decoy,ADA,Decoy,0,-7.62526,-7.96,-0.16,-7.722124322691057
N#Cc1c(N)c(C#N)c(=S)n(C[C@@H]2CCCO2)c1N,C00424641_decoy,ADA,Decoy,0,-8.79215,-7.0,-1.1,-7.081338639358974
[NH3+][C@H](C(=O)[O-])[C@@H](O)c1ccc([N+](=O)[O-])cc1,C00518957_decoy,ADA,Decoy,0,-5.77237,-6.93,-0.37,-6.036351496663851
Cc1nc2c(o1)NC(N)=C(C#N)[C@@]21C(=O)Nc2ccccc21,C08783362_decoy,ADA,Decoy,0,-6.67859,-7.45,0.1,-3.983039951646538
CO[C@@]1(C)O[C@](C)(CO)[C@@](C)(O)[C@@](C)(O)[C@]1(C)O,C09915809_decoy,ADA,Decoy,0,-5.64328,-5.14,-0.27,-3.484521015999843
CO[C@@]1(C)O[C@](C)(CO)[C@@](C)(O)[C@@](C)(O)[C@@]1(C)O,C09970411_decoy,ADA,Decoy,0,-5.93492,-4.93,-0.32,-3.570343285763865
CC(=O)Nc1ccc(NC(=O)[C@@H]2CCCN2C(N)=O)cc1,C13058770_decoy,ADA,Decoy,0,-6.91317,-8.27,-0.02,-7.774680883762096
CC(=O)N1CCC2(CC1)C(C#N)=C(N)SC(N)=C2C#N,C19852963_decoy,ADA,Decoy,0,-10.4183,-6.27,-0.11,-7.081485800846314
O=C(OC[C@@H]1CC[C@H](O)[C@H](O)C1)[C@@H]1CC[C@H](O)[C@H](O)C1,C33637585_decoy,ADA,Decoy,0,-9.9342,-7.69,-0.47,-14.286577907829471
O=C(OC[C@@H]1CC[C@@H](O)[C@H](O)C1)[C@@H]1CC[C@H](O)[C@H](O)C1,C33637586_decoy,ADA,Decoy,0,-8.77142,-6.33,-0.69,-6.510079180296921
NC(=O)NC(=O)CC[NH+]1CCCC[C@H]1C(=O)[O-],C35298848_decoy,ADA,Decoy,0,-5.63652,-6.45,-0.9,-6.944722998706199
C[C@H]1C(=O)O[C@@H]2C[C@@](C)(O)C3=C([C@H](O)[C@H]21)[C@@](C)(O)C[C@@H]3O,C35455191_decoy,ADA,Decoy,0,-8.15636,-6.45,-1.29,-3.5429989541351965
C[C@H]([NH3+])C(=O)Nc1ccc(N2CCC[C@H](C(=O)[O-])C2)cn1,C36083218_decoy,ADA,Decoy,0,-6.41143,-7.19,-0.29,-5.6469317021924095
NC(=O)C1CCN(C(=O)c2cc(N)cn2C2CC2)CC1,C36861562_decoy,ADA,Decoy,0,-7.70864,-7.83,0.27,-7.112658248864776
S=C1NCCNC(=S)NCCOCCOCCN1,C13556145_decoy,ADA,Decoy,0,-6.53818,-5.0,-0.08,-3.597838266055696
CC(C)[C@H](NC(N)=O)C(=O)N1CCC(CO)CC1,C37896768_decoy,ADA,Decoy,0,-9.43983,-7.31,-0.91,-8.565558991613578
C[C@H]1COCCN1c1cc(N)cc(S(N)(=O)=O)c1,C37934238_decoy,ADA,Decoy,0,-8.33459,-6.82,-0.57,-5.943332106998194
NNc1ccc(CN2C(=O)CNC2=O)cc1,C39098285_decoy,ADA,Decoy,0,-6.77624,-6.85,-0.6,-7.481410808995583
Nc1cc(N)cc(C(=O)N2CCN(c3nccs3)CC2)c1,C40295897_decoy,ADA,Decoy,0,-7.60256,-7.55,-0.13,-9.307541197569194
Cc1sc(C(=O)N2CCN(S(N)(=O)=O)CC2)cc1N,C40338436_decoy,ADA,Decoy,0,-8.85612,-7.2,-0.53,-11.378873003699956
NC(=S)C1(NS(=O)(=O)c2cn[nH]c2)CCCC1,C40363779_decoy,ADA,Decoy,0,-7.7305,-6.0,0.22,-7.175681054651126
C[C@H](NS(=O)(=O)N1CCCCC1)/C(N)=N/O,C40376586_decoy,ADA,Decoy,0,-8.2045,-7.21,-1.01,-7.474984710667424
CC(C)(NS(=O)(=O)C(F)F)/C(N)=N/O,C40377004_decoy,ADA,Decoy,0,-7.4931,-6.37,0.02,-8.280386756971527
NS(=O)(=O)c1ccccc1NC(=O)[C@H]1CSC(=O)N1,C40381008_decoy,ADA,Decoy,0,-8.13337,-8.16,-0.67,-7.777659336677006
O=C(NC1(C(=O)[O-])CCCCC1)[C@@H]1C[C@@H](O)C[NH2+]1,C40479566_decoy,ADA,Decoy,0,-6.13599,-7.4,-0.62,-8.709142290714825
[NH3+][C@@H]1CCCN(C(=O)c2cc([O-])[nH]c(=O)c2)C1,C41028352_decoy,ADA,Decoy,0,-5.3325,-7.27,0.49,-4.856439992642286
[NH3+]CCNC(=O)N1c2ccccc2C[C@H]1C(=O)[O-],C42420486_decoy,ADA,Decoy,0,-7.21539,-6.0,-0.93,-5.3754386194754975
CC(C)N(CC(=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1[NH3+],C42431193_decoy,ADA,Decoy,0,-8.13883,-6.53,-0.5,-7.20491558504186
NC(=S)CNC(=O)C(=O)N1CCCC[C@@H]1CO,C42432520_decoy,ADA,Decoy,0,-7.26175,-6.88,-0.58,-7.348429932172715
NC(=O)NC(=O)C[NH+]1CCc2ccccc2[C@H]1C(=O)[O-],C43594019_decoy,ADA,Decoy,0,-7.72825,-8.47,-0.55,-9.278156846215111
[NH3+][C@@H](CCO)c1cc([N+](=O)[O-])cc(Br)c1[O-],C44234573_decoy,ADA,Decoy,0,-6.72969,-4.71,-0.61,-3.733734756947389
NC(=O)[C@H]1CCCN1C(=O)C1(C(N)=S)CCOCC1,C44774299_decoy,ADA,Decoy,0,-7.27206,-6.97,0.12,-6.660201482679095
NC(=O)[C@H]1CCCCN1C(=O)C1(C(N)=S)CCOCC1,C44781333_decoy,ADA,Decoy,0,-6.53158,-6.59,0.05,-6.678073135578445
N/C(=N/O)C1(C(=O)NC2CCS(=O)(=O)CC2)CCCC1,C44785425_decoy,ADA,Decoy,0,-9.37134,-7.15,-0.4,-7.891262515826583
C[C@H](C(=O)NC[C@@H]1CCCOC1)/C(N)=N/O,C44976585_decoy,ADA,Decoy,0,-9.28391,-6.24,-0.8,-7.3658615603998
N/C(=N/O)c1ccc(NC(=O)[C@@H]2CCOC2)cc1,C48630342_decoy,ADA,Decoy,0,-7.2097,-6.73,-0.72,-5.973541838432519
Cc1nc(C)c([C@H](C)NC(=O)[C@H](C)NC(N)=O)s1,C48832508_decoy,ADA,Decoy,0,-7.93925,-6.79,-1.43,-8.165716976829101
C[C@@H]1CN(Cc2nc(N)nc(N)n2)CC(C)(C)O1,C49177298_decoy,ADA,Decoy,0,-7.34636,-7.25,-0.2,-8.999774201463957
C[C@@H](O)[C@H](NC(=O)N[C@@H]1CC[NH+]2CCC[C@H]12)C(=O)[O-],C49571550_decoy,ADA,Decoy,0,-7.38978,-5.03,-0.39,-4.951772787589037
C[C@@H](O)[C@@H](NC(=O)N[C@@H]1CC[NH+]2CCC[C@H]12)C(=O)[O-],C49571552_decoy,ADA,Decoy,0,-7.1372,-4.32,-0.79,-4.283564150576686
[NH3+]C[C@H]1CCN(C(=O)N[C@@H](C(=O)[O-])C2CCCCC2)C1,C50251464_decoy,ADA,Decoy,0,-6.31295,-5.46,-0.59,-4.603505595978919
Nc1ccccc1S(=O)(=O)N[C@@H]1CCCNC1=O,C50397193_decoy,ADA,Decoy,0,-7.26333,-7.92,-0.76,-7.038161018902168
Cc1cc(N)ccc1S(=O)(=O)N[C@H]1CCCNC1=O,C50397258_decoy,ADA,Decoy,0,-6.60761,-7.36,-0.31,-6.560965698568293
Nc1csc(S(=O)(=O)N[C@@H]2CCCNC2=O)c1,C50397291_decoy,ADA,Decoy,0,-7.38418,-5.08,-0.14,-4.313949864286499
Nc1nc2sccn2c1S(N)(=O)=O,C50649828_decoy,ADA,Decoy,0,-6.9627,-6.12,0.02,-5.8632860612788
NNc1ccc(C(=O)N2CCNC(=O)C2)cc1,C51122036_decoy,ADA,Decoy,0,-7.40199,-7.77,-0.37,-10.25543870966738
[NH3+]CCCNC(=O)N1CCC(C(=O)[O-])CC1,C51355236_decoy,ADA,Decoy,0,-6.49387,-5.96,-1.23,-6.360088233306412
NC(=O)C1CCN(c2nccnc2C(N)=S)CC1,C54396809_decoy,ADA,Decoy,0,-7.79909,-6.08,0.07,-5.577378994707139
Nc1cccc(C(=O)N/N=C2/C(=O)N[C@H]3C=CC=C[C@@H]23)c1,C06079793_decoy,ADA,Decoy,0,-7.55474,-9.83,-0.22,-8.157272089038036
NNc1ccc(C(=O)Nc2ccon2)cn1,C61684824_decoy,ADA,Decoy,0,-7.20992,-6.52,-0.37,-7.11848366611578
C[C@H](C/C(N)=N/O)NC(=O)[C@@H]1CCCOC1,C62243242_decoy,ADA,Decoy,0,-8.32204,-6.86,-0.37,-7.434292865341479
CNC(=S)N/N=C/c1ccc(NC(C)=O)cc1,C06313176_decoy,ADA,Decoy,0,-6.36644,-6.36,-1.17,-5.659986323459487
CC(C)C(=O)NC(=S)NNC(=O)c1cccs1,C06357739_decoy,ADA,Decoy,0,-7.60789,-4.83,-0.88,-5.2453154672782825
N/C(CCn1nc(C(F)(F)F)cc1C1CC1)=N/O,C12394794_decoy,ADA,Decoy,0,-7.75294,-6.78,0.04,-7.018850061594915
N/C(CCn1nc(C2CC2)cc1C(F)(F)F)=N/O,C12394796_decoy,ADA,Decoy,0,-7.92358,-7.13,-0.11,-7.482162665875442
O=C(NNC(=S)NC1CCCCC1)c1ccccn1,C15874624_decoy,ADA,Decoy,0,-7.46777,-7.0,-1.53,-7.16285583649197
CCCCNC(=O)NNC(=O)[C@]1(C)CC1(Cl)Cl,C02761432_decoy,ADA,Decoy,0,-7.0635,-6.85,-0.45,-6.844184343158195
Nc1ccccc1NC(=O)COC[C@H]1CCCCO1,C19279576_decoy,ADA,Decoy,0,-6.54343,-5.5,-0.92,-4.51698575034555
C[C@H](NCCN1CCOCC1)c1ccc(O)cc1O,C19954365_decoy,ADA,Decoy,0,-7.06256,-7.14,-0.5,-6.557753550225665
COc1cc(CNc2cccc(O)c2)cc(OC)c1O,C20194174_decoy,ADA,Decoy,0,-7.00949,-6.68,-0.68,-6.637221288722588
CC[C@@H](C)NC(=O)[C@H](C)Sc1nnc(N)s1,C20363544_decoy,ADA,Decoy,0,-8.56349,-6.14,-0.69,-7.876365886719146
CCC(C)(C)NC(=O)[C@H](C)Sc1nnc(N)s1,C20363564_decoy,ADA,Decoy,0,-10.114,-6.08,-0.33,-7.802464787151825
NOCCNS(=O)(=O)c1ccc2c(c1)CCCC2,C32118223_decoy,ADA,Decoy,0,-9.17599,-7.55,-0.08,-8.719133154158637
CC(=O)Nc1ccc(N[C@@H](C)C(=O)NC2CC2)cc1,C34937360_decoy,ADA,Decoy,0,-6.56949,-7.24,-1.32,-6.343263647834532
CC[C@@H](C)Nc1ccc(S(=O)(=O)N(C)C)cc1N,C36946552_decoy,ADA,Decoy,0,-6.35639,-6.92,-0.56,-6.868244673835505
CCOc1nc(N2CCCC[C@H]2CCO)ccc1N,C37066504_decoy,ADA,Decoy,0,-8.69933,-7.0,-1.18,-10.96033093566476
COc1ccc(S(N)(=O)=O)cc1NCC1CC1,C37135026_decoy,ADA,Decoy,0,-7.81771,-6.38,-0.67,-9.600735540278034
CN(CC(F)(F)F)S(=O)(=O)c1ccc(NN)cc1,C37665346_decoy,ADA,Decoy,0,-7.26584,-7.05,-2.78,-7.290007493858444
CN(CC1CC1)S(=O)(=O)c1ccc(NN)cc1,C37926184_decoy,ADA,Decoy,0,-8.89892,-7.31,-0.83,-9.540043264818836
C[C@@H](Oc1ccccc1N)C(=O)NCc1ccco1,C37985385_decoy,ADA,Decoy,0,-6.0279,-6.2,-1.57,-5.119911343254048
Cc1occc1C(=O)NNC(=S)Nc1ccccc1,C08670160_decoy,ADA,Decoy,0,-6.57527,-5.32,-1.38,-5.112067018256915
C[C@H](Cc1ccco1)NS(=O)(=O)c1cccc(N)c1,C40348424_decoy,ADA,Decoy,0,-7.0557,-6.61,-0.48,-6.378274661885034
O=C(C[NH2+]C1CCCC1)Nc1ccc(C(=O)[O-])cc1,C40431407_decoy,ADA,Decoy,0,-6.98531,-7.31,-0.39,-7.327874969444132
O=C([O-])c1ccc(CCNC(=O)C2CC[NH2+]CC2)cc1,C40483117_decoy,ADA,Decoy,0,-7.36324,-6.86,-0.25,-6.445892213359185
CN(C)c1ncnc(NCCc2cccs2)c1N,C40723694_decoy,ADA,Decoy,0,-6.65262,-6.36,-0.83,-6.420274439712217
CCC(C)(C)NC(=O)[C@H](C)Oc1ccc(N)cc1C#N,C40887544_decoy,ADA,Decoy,0,-7.67776,-5.79,-1.05,-5.375392730229436
CCCOC(=O)c1c(N)c(F)cc(F)c1NC(C)=O,C44730972_decoy,ADA,Decoy,0,-5.71513,-6.84,-0.49,-7.101733052763067
CC[C@H](C)CN(C)C(=O)C1(/C(N)=N/O)CCCCCC1,C44784947_decoy,ADA,Decoy,0,-7.72453,-8.14,-2.17,-8.767179088658528
CC(C)[C@H](C(=O)N(C)Cc1ccsc1)/C(N)=N/O,C44868002_decoy,ADA,Decoy,0,-9.06448,-7.27,-0.88,-9.42642808164142
CCN(C/C(N)=N/O)C(=O)c1ccc(C(C)(C)C)cc1,C45060582_decoy,ADA,Decoy,0,-7.89075,-7.63,-0.93,-8.11017536919646
CCc1ccc(CN(C)C(=O)[C@@H](C)NC(N)=O)cc1,C45477835_decoy,ADA,Decoy,0,-7.23268,-7.42,-0.63,-7.781319751430362
CC(C)NC(=O)[C@@H](C)OC(=O)c1ccc(F)cc1N,C24209764_decoy,ADA,Decoy,0,-5.90153,-7.74,-0.55,-6.7133698784046825
CCNC(=O)NCCNc1cccc(F)c1C#N,C46906536_decoy,ADA,Decoy,0,-5.83886,-5.67,-1.22,-4.744293376752035
CNC(=O)NC(C)(C)C(=O)NCCc1cccs1,C48889655_decoy,ADA,Decoy,0,-6.33506,-6.56,-0.17,-6.751589701069443
O=C(CNC(=O)NC1CC1)NC[C@H]1CC=CCC1,C49298027_decoy,ADA,Decoy,0,-6.34634,-5.4,-0.79,-4.8554510030449975
CCCN(C(=O)c1[nH]nc(C2CC2)c1N)C(C)C,C50323668_decoy,ADA,Decoy,0,-5.84192,-6.63,-0.75,-9.083836772502524
CCCN1C(=[NH2+])[C@@H](c2ccc(OC)cc2OC)[NH+]=C1C,C50986550_decoy,ADA,Decoy,0,-7.12858,-7.27,-0.68,-8.147651852238015
CCN(Cc1nnsc1NN)c1ccc(F)cc1,C51145020_decoy,ADA,Decoy,0,-9.71106,-7.08,-0.29,-9.082281927796789
COC[C@@H](C)NC(=O)CN1CCCc2ccc(N)cc21,C51296921_decoy,ADA,Decoy,0,-6.52675,-5.93,-1.25,-5.170173266930645
O=C(CCNC(=O)C1CCCC1)N[C@H]1CCCC[C@@H]1O,C51997073_decoy,ADA,Decoy,0,-7.39271,-6.09,-0.6,-5.941797102534868
COC(=O)C(C)(C)NC(=O)[C@@](C)(N)c1ccccc1,C52881928_decoy,ADA,Decoy,0,-6.0345,-5.98,-0.59,-5.032039771173406
CC(C)[C@H](NS(=O)(=O)c1cccs1)C(N)=O,C58191982_decoy,ADA,Decoy,0,-6.68626,-6.13,-0.46,-6.886958964509304
C[C@H](C#N)CN(C)Cc1nc(NN)ccc1Cl,C61631400_decoy,ADA,Decoy,0,-7.95956,-6.94,-0.99,-6.568795320896532
O=S(=O)(NCC1(O)CCCC1)NC1CCCC1,C62440279_decoy,ADA,Decoy,0,-7.89886,-5.24,0.01,-4.783710492441236
CCC[C@@](C)([NH3+])C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1,C62870868_decoy,ADA,Decoy,0,-6.68772,-6.04,-0.32,-5.695380338183766
CCC[C@]1(C(=O)Nc2cccc(C(=O)[O-])c2)CC[NH2+]C1,C62897461_decoy,ADA,Decoy,0,-7.64805,-6.76,-1.85,-6.562174037224082
CC(C)[C@@H](C)NC(=O)N1CCC[C@H](CCC(N)=O)C1,C66119649_decoy,ADA,Decoy,0,-7.81339,-6.78,-0.42,-7.851802923228204
NC(=O)CC[C@@H]1CCCN(C(=O)NCC2CCC2)C1,C66120119_decoy,ADA,Decoy,0,-7.39809,-6.91,-0.63,-6.560255758579219
CC(=O)N[C@H](C(=O)NNc1ccc(F)cc1F)C(C)C,C66326103_decoy,ADA,Decoy,0,-5.55185,-6.39,-0.89,-4.8873993190859055
C=CCNC(=O)NNC(=O)Cc1ccccc1F,C66907712_decoy,ADA,Decoy,0,-5.50806,-5.77,-1.89,-4.40101129562155
CCCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1,C67237984_decoy,ADA,Decoy,0,-7.14269,-8.06,-0.81,-10.069589538177864
CN(C)C(=S)NCCC1=CCCCC1,C04388997_decoy,ADA,Decoy,0,-6.4558,-5.23,-0.07,-5.693513697714739
CC(C)CC(=O)NCC1(c2cccs2)CC1,C22679888_decoy,ADA,Decoy,0,-6.53521,-4.88,-0.96,-4.056044558273276
C[C@@H](Cc1ccco1)NCc1cccs1,C35254669_decoy,ADA,Decoy,0,-6.55996,-5.18,0.07,-6.692961139377306
CSCCCNc1ccc(Cl)c(C#N)c1,C36972802_decoy,ADA,Decoy,0,-8.64555,-5.38,-0.62,-5.981741321275254
C[C@H](Cc1cccs1)NCc1ccco1,C36992651_decoy,ADA,Decoy,0,-5.43805,-4.79,0.41,-4.579376802591717
CCc1ccc(C(=O)CSCCO)s1,C37352786_decoy,ADA,Decoy,0,-7.597,-5.54,-0.41,-6.667552895377865
C=CCC(O)(CC=C)C(C)(C)C(=O)C(C)C,C37631723_decoy,ADA,Decoy,0,-5.9423,-5.93,-0.94,-5.494624482381621
CC(C)CN[C@@](C)(C#N)CC(C)C,C37939181_decoy,ADA,Decoy,0,-6.64434,-5.73,-0.96,-6.372820685578107
CC[C@@H](C)[C@@](C)(C#N)NCC(F)(F)F,C37970802_decoy,ADA,Decoy,0,-4.3629,-5.72,-1.37,-4.283945862998367
CC(C)C[C@H](C#N)NCC(F)(F)F,C37971072_decoy,ADA,Decoy,0,-4.45449,-5.54,-1.49,-3.8384522744621776
CC[C@H](C)N[C@](C)(C#N)CC(C)C,C38064573_decoy,ADA,Decoy,0,-4.9037,-5.51,-0.56,-4.211901348625011
C=CCNC(=O)CCC(C)(C)c1ccccc1,C41317994_decoy,ADA,Decoy,0,-5.58091,-7.75,-0.87,-6.84334854257558
CCC[C@H]1CC[C@H](O)[C@H](OCC(F)(F)F)C1,C44192136_decoy,ADA,Decoy,0,-5.22032,-6.52,0.0,-5.745328367149654
CCC[C@@H]1CC[C@@H](O)[C@H](OCC(F)(F)F)C1,C44192138_decoy,ADA,Decoy,0,-5.2482,-6.37,-0.32,-6.332500359885228
CC1(NC(=O)CCCCCl)CCCCC1,C45046180_decoy,ADA,Decoy,0,-5.95921,-4.45,-0.44,-4.02384976986469
CC[C@H](C)SC[C@](C)(C#N)NC,C45216861_decoy,ADA,Decoy,0,-7.5643,-5.07,-2.55,-6.067946645990522
CCCN[C@](C)(C#N)CS[C@H](C)CC,C45216876_decoy,ADA,Decoy,0,-6.30472,-5.43,-0.37,-5.838051476833173
CCCSCC[C@@](C)(C#N)NC(C)C,C45217183_decoy,ADA,Decoy,0,-8.68618,-5.33,-1.91,-6.905992759677382
CN[C@](C)(C#N)CCSc1ccc(C)cc1,C45217828_decoy,ADA,Decoy,0,-8.94895,-7.31,-1.7,-7.969654944888048
CCN[C@@](C)(C#N)CCSC(C)C,C45220218_decoy,ADA,Decoy,0,-5.92863,-5.16,-0.7,-5.248375196518805
CC(C)CSC[C@@H](C#N)NC(C)C,C45332596_decoy,ADA,Decoy,0,-6.07657,-5.31,-1.62,-4.785450025779787
CN[C@](C)(C#N)CCCSC(C)(C)C,C45333614_decoy,ADA,Decoy,0,-8.40274,-5.38,-0.6,-6.244369513774291
C[C@H](Cc1ccsc1)N[C@@H](C)c1ccco1,C49154661_decoy,ADA,Decoy,0,-6.5736,-5.71,-0.6,-5.191201139167806
C[C@@H](Cc1ccsc1)NC(=O)CCCl,C49164736_decoy,ADA,Decoy,0,-6.51525,-5.3,-0.03,-4.716139418138744
N#CCCCCNc1ccc(Cl)c(F)c1,C49578535_decoy,ADA,Decoy,0,-8.74076,-5.49,-0.87,-6.786372748734842
CCOc1ccccc1NCCCl,C49812084_decoy,ADA,Decoy,0,-5.51947,-4.55,-0.74,-3.739890465824352
CC[C@@H](O)CO[C@@H]1CCCC[C@@H]1CC,C50182161_decoy,ADA,Decoy,0,-5.9714,-5.44,-0.55,-5.667345026247309
CC[C@](C)(CO)CN(C)c1ccccc1,C51291709_decoy,ADA,Decoy,0,-6.56528,-5.04,-0.73,-5.92958818346887
CCN(CC(F)(F)F)C[C@](C)(CC)CO,C51294049_decoy,ADA,Decoy,0,-5.31261,-4.9,-0.35,-4.669851844646327
CCN(C[C@](C)(CC)CO)c1ccc(F)cc1,C51294281_decoy,ADA,Decoy,0,-6.65765,-5.96,-0.83,-7.573970798734338
C[C@H]1C[C@H]1NC(=O)CCCCCl,C52276860_decoy,ADA,Decoy,0,-5.14109,-4.34,-0.88,-3.565335305887857
C=CCOCCNc1ccccc1F,C53560457_decoy,ADA,Decoy,0,-5.37221,-4.95,-0.4,-4.593461016573939
C#CCNC[C@@H](C)Oc1cc(C)cc(C)c1,C53566601_decoy,ADA,Decoy,0,-6.11657,-6.07,-0.72,-5.676900928847406
Clc1ccc(NCCOC2CCC2)cc1,C53589786_decoy,ADA,Decoy,0,-5.81633,-5.47,-0.26,-5.353918684858379
C#CCNC[C@H](C)Sc1ccccc1OC,C53647319_decoy,ADA,Decoy,0,-5.93441,-4.96,-0.36,-5.578176697178535
C#CCNC[C@@H](C)Sc1ccccc1OC,C53647320_decoy,ADA,Decoy,0,-5.93901,-4.69,-1.13,-5.742024401478058
COCCC[C@@H](O)C1CCCCC1,C53784524_decoy,ADA,Decoy,0,-6.27203,-4.98,-0.66,-4.737781323796835
C[C@@H]1CCC[C@H](SC[C@@H](C#N)NC2CC2)C1,C54695067_decoy,ADA,Decoy,0,-9.95385,-6.55,-1.73,-7.447927209699333
CCCNC(=S)N1CCCC[C@@H]1CC,C13829368_decoy,ADA,Decoy,0,-6.29975,-5.07,0.04,-5.035675781601356
CCOCCNc1cc(Cl)ccc1F,C35098128_decoy,ADA,Decoy,0,-5.69849,-4.7,-1.63,-4.20587934459952
C[C@H](Cc1ccsc1)NCc1ccoc1,C62103716_decoy,ADA,Decoy,0,-6.28035,-5.92,-1.13,-5.313664966403009
CN[C@H](C#N)CCSc1cccs1,C62452190_decoy,ADA,Decoy,0,-9.60266,-5.1,-0.33,-6.4090428087521945
CCN[C@H](C#N)CCS[C@@H](C)CC,C62452346_decoy,ADA,Decoy,0,-7.82711,-5.1,-0.5,-7.062397406115879
CC(C)(C)SCC[C@H](C#N)NC1CC1,C62452471_decoy,ADA,Decoy,0,-6.40837,-5.62,-1.43,-5.133281707857254
N#C[C@H](CCSC1CCCCC1)NC1CC1,C62456829_decoy,ADA,Decoy,0,-9.04178,-6.52,-1.75,-7.805224155077227
CC[C@H](CC#N)NCc1cc(F)c(F)c(F)c1,C62708885_decoy,ADA,Decoy,0,-8.02676,-6.51,-0.66,-6.749121631562034
N#Cc1cccc(CNCCC(F)(F)F)c1,C63099062_decoy,ADA,Decoy,0,-4.4316,-6.51,0.05,-5.500804525677874
CC(C)(C)SCCNC(=O)C[C@H]1C=CCC1,C66738757_decoy,ADA,Decoy,0,-6.45198,-4.69,-0.8,-4.247422859646017
CSC[C@@H](C)C(=O)NCCC1=CCCCC1,C66752546_decoy,ADA,Decoy,0,-7.03006,-5.2,-0.68,-5.136840735471036
CSC[C@H](C)C(=O)NCCC1CCCCC1,C66759665_decoy,ADA,Decoy,0,-7.19504,-4.92,-2.51,-4.654588239816923
O=C(/C=C/c1ccccc1F)NNC(=S)NC1CC1,C15908852_decoy,ADA,Decoy,0,-7.35257,-6.88,-0.43,-9.453915536650408
CCC(CC)NS(=O)(=O)c1ccc(C(N)=S)cc1,C19478314_decoy,ADA,Decoy,0,-7.59809,-6.88,-0.65,-7.922114700644855
CCOCCCNc1ccc(C(F)(F)F)cc1N,C20384179_decoy,ADA,Decoy,0,-5.29962,-6.19,-0.58,-6.1082752140266106
C[C@@H](Nc1ccc(N)c(OCC2CC2)n1)C1CC1,C35733417_decoy,ADA,Decoy,0,-6.36282,-6.2,-0.86,-5.354392441606594
CCC[C@@H](C)CNc1cc(S(N)(=O)=O)cc(C)c1C,C36959311_decoy,ADA,Decoy,0,-8.03946,-7.5,-0.73,-8.52454451818616
CC[C@@H](C)Nc1ccc(N)c(OCC2CC2)n1,C37066694_decoy,ADA,Decoy,0,-6.71157,-5.75,-2.12,-5.534056012983987
CCCN[C@H](C(N)=O)c1ccccc1C(F)(F)F,C37870244_decoy,ADA,Decoy,0,-4.90405,-6.51,-1.27,-5.1237731523246834
CC[C@@](Nc1ccccc1OC)(C(N)=O)c1ccccc1,C37951238_decoy,ADA,Decoy,0,-6.66917,-5.31,-1.95,-4.581634082987628
Nc1ccccc1OCCNC(=O)Cc1ccccc1F,C38079849_decoy,ADA,Decoy,0,-7.17119,-6.21,-0.74,-5.685490488551745
CC(C)CCNC(=O)[C@H](C)N(C)c1ccc(N)cc1,C20422554_decoy,ADA,Decoy,0,-6.6109,-5.19,-0.38,-4.552309993016842
CCC(C)(C)NC(=O)CCOc1ccccc1N,C40292101_decoy,ADA,Decoy,0,-5.78639,-5.73,-1.2,-5.002568762594568
CC(C)CCC[C@@H](C)NC(=O)c1ccc(F)c(N)c1,C40314289_decoy,ADA,Decoy,0,-5.98511,-6.68,-0.33,-6.1651976363351
CC[C@H](C)[C@@H](C(=O)NCC(N)=S)c1ccccc1,C40349364_decoy,ADA,Decoy,0,-7.08085,-6.41,-2.28,-6.085983417604247
CCCCC1CCC(C(=O)N[C@H](CC)C(N)=S)CC1,C40352468_decoy,ADA,Decoy,0,-8.73325,-6.55,-1.96,-8.173002764963986
CC[C@H](NC(=O)C[C@H](C)CC(C)(C)C)C(N)=S,C40353590_decoy,ADA,Decoy,0,-7.28582,-5.93,-1.59,-5.730454229745481
CCC[C@@H](C)C(=O)N[C@@H](C(N)=S)C1CCCCC1,C40360824_decoy,ADA,Decoy,0,-8.18656,-6.68,-2.51,-7.033799235663183
CC(C)(C)c1ccc(OCCNC(N)=S)cc1,C41322636_decoy,ADA,Decoy,0,-7.4038,-6.28,-0.71,-6.551757358831017
C[C@@H](CO)[NH2+][C@](C)(C(=O)[O-])c1ccc(C(C)(C)C)cc1,C41802079_decoy,ADA,Decoy,0,-6.79377,-6.72,-0.21,-6.0553884330400125
CCC[C@@](SCC[NH3+])(C(=O)[O-])c1ccccc1,C42006944_decoy,ADA,Decoy,0,-7.77986,-6.16,-1.37,-7.287969816160777
CCC(CC)N(CCO)c1c(F)cc(N)cc1F,C42501328_decoy,ADA,Decoy,0,-6.5811,-7.01,-0.36,-8.036491963798658
NC(=S)c1ccc(NCCOc2ccccc2)cc1,C42897976_decoy,ADA,Decoy,0,-7.48031,-6.99,-0.16,-6.340360456474561
CC(C)c1ccc(C[C@@H](C)[C@H]([NH3+])CC(=O)[O-])cc1,C44215201_decoy,ADA,Decoy,0,-7.63095,-7.09,-0.15,-7.008375190574106
C[C@H](Cc1ccc(C(C)(C)C)cc1)[C@H]([NH3+])CC(=O)[O-],C44215323_decoy,ADA,Decoy,0,-7.1159,-7.11,-0.54,-7.03585284228092
CCC(CC)(C(=O)NCc1ccc(F)c(F)c1)C(N)=S,C44780997_decoy,ADA,Decoy,0,-6.89474,-6.59,-0.57,-7.153493138178418
CCC(C)(C)NC(=O)[C@@H](Cc1ccccc1)C(N)=S,C44828480_decoy,ADA,Decoy,0,-8.06602,-7.4,-0.66,-11.370019332955373
CCC[C@H](C(=O)N[C@@H](C)[C@@H](C)CC)C(N)=S,C44846086_decoy,ADA,Decoy,0,-7.12609,-4.75,-1.03,-5.009584684881991
CC[C@@H](NC(=O)[C@@H](C(N)=S)C(C)C)c1cccs1,C44848991_decoy,ADA,Decoy,0,-8.07393,-6.08,-1.8,-5.796196501502798
CC(C)[C@@H](C(=O)N[C@H](c1cccs1)C(C)C)C(N)=S,C44849544_decoy,ADA,Decoy,0,-8.48572,-6.76,-2.15,-7.839404943046537
N/C(CCCCSc1ccc(F)cc1)=N/O,C49580541_decoy,ADA,Decoy,0,-9.11664,-6.62,-0.24,-9.993426493824895
C[C@@H](CC(=O)N[C@H](C)CC(N)=S)CC(C)(C)C,C50390629_decoy,ADA,Decoy,0,-7.81634,-6.2,-0.92,-7.400269976477462
CCN(c1ccccc1N)[C@@H](C)C(=O)NCC(C)C,C50453905_decoy,ADA,Decoy,0,-5.46896,-5.9,-0.81,-4.844839487790924
NC(=S)c1ccc(N(CCO)Cc2ccccc2)c(F)c1,C50515763_decoy,ADA,Decoy,0,-9.54032,-7.39,-0.31,-7.862592731210409
CC(C)[NH2+]CC1(C[NH+](C)C[C@@H]2CCCCO2)CCCC1,C51251032_decoy,ADA,Decoy,0,-7.71778,-6.48,-0.84,-7.443720054903694
CC[C@@H](NC(=O)[C@@H](C(N)=S)C(C)C)c1ccccc1,C51628921_decoy,ADA,Decoy,0,-7.94719,-6.4,-1.09,-7.362463316660324
NC(=S)c1ccc(CNC(=O)CCC2CCCC2)cc1,C51666813_decoy,ADA,Decoy,0,-8.35017,-6.85,-0.09,-6.287358170175796
CCc1ccc([C@H](NCC(F)(F)F)C(N)=O)s1,C51720026_decoy,ADA,Decoy,0,-5.71582,-6.37,0.39,-6.837996387522442
CCC[C@H](C(=O)N[C@@H](C)C1CCCCC1)C(N)=S,C52343330_decoy,ADA,Decoy,0,-8.10007,-6.07,-0.8,-5.642005440354508
COC[C@@H](C)CNc1ccc(Cl)cc1C(N)=S,C52859068_decoy,ADA,Decoy,0,-8.00638,-5.91,-1.12,-7.0896068765749085
CCCCN(CC)c1ccc(Cl)cc1/C(N)=N/O,C52860490_decoy,ADA,Decoy,0,-8.93065,-7.05,-0.97,-9.735697268186833
C=CCN1C=[NH+][C@@H](c2cccc(OCCC)c2)C1=[NH2+],C52921380_decoy,ADA,Decoy,0,-6.69609,-6.61,-0.63,-6.5764855984739565
COc1ccccc1[C@@H](C[NH3+])Cc1ccc(C(=O)[O-])cc1,C57738481_decoy,ADA,Decoy,0,-6.76024,-8.27,-0.69,-8.523090721773626
C=CCNC(=O)/C=C\c1ccc(OC(C)C)c(N)c1,C57896540_decoy,ADA,Decoy,0,-6.12205,-7.11,-0.43,-8.552398522209588
CCC(CC)N(CCO)c1ccc(Br)cc1N,C42500929_decoy,ADA,Decoy,0,-8.02844,-7.02,-0.42,-8.506957049139652
C[C@H](CC(=O)[O-])C[C@H]([NH3+])c1ccc(C2CCCCC2)cc1,C61830023_decoy,ADA,Decoy,0,-7.34472,-7.31,-0.6,-7.007062022103286
COc1ccccc1N[C@](C)(Cc1ccccc1)C(N)=O,C62178520_decoy,ADA,Decoy,0,-7.06908,-7.53,-1.05,-7.436187588589902
CCOC(=O)[C@H](C)Nc1ccc(C(N)=S)cc1Cl,C62795556_decoy,ADA,Decoy,0,-7.44684,-6.83,-0.1,-7.20682979487816
Nc1ccc(OC[C@H](O)CSC2CCCC2)cc1,C62829301_decoy,ADA,Decoy,0,-8.31107,-6.97,-1.96,-7.514818166239579
CC[NH+](CC)c1ccc(NC[C@H](O)c2cccs2)cc1,C62996241_decoy,ADA,Decoy,0,-9.20336,-7.23,-0.49,-8.171761988668411
CC[NH2+]C1CCN(c2ccc([NH+](CC)CC)cc2)CC1,C62996516_decoy,ADA,Decoy,0,-7.52346,-6.35,-0.4,-6.219088822019857
OC[C@@H](NC[C@H](O)c1ccc(F)cc1F)c1ccccc1,C63002446_decoy,ADA,Decoy,0,-8.33328,-8.06,-2.06,-7.855950259688695
CC(C)[NH2+]C[C@H](O)CSc1ccc([N+](=O)[O-])cc1,C35057124_decoy,ADA,Decoy,0,-6.30288,-6.82,-0.88,-6.957396884954394
O=[N+]([O-])c1ccccc1SC[C@H](O)C[NH2+]C1CC1,C35057134_decoy,ADA,Decoy,0,-4.73769,-6.57,-0.03,-5.88686240309845
CC[C@H](C)NC(=O)[C@@H](C)[NH2+][C@H](C(=O)OC)C(C)C,C35061657_decoy,ADA,Decoy,0,-6.41705,-5.16,-0.79,-6.031223773049563
CC[C@@H](C)NC(=O)[C@H](C)[NH2+][C@H](C(=O)OC)C(C)C,C35061661_decoy,ADA,Decoy,0,-6.42241,-4.47,-1.59,-4.450640842898799
CCOC(=O)c1[nH]c(C)c(C(=O)[C@@H](C)[NH2+]C(C)C)c1C,C35868279_decoy,ADA,Decoy,0,-6.23911,-5.18,-1.46,-4.754363644785732
CCOC(=O)c1[nH]c(C)c(C(=O)C[NH2+]CC(C)C)c1C,C35988340_decoy,ADA,Decoy,0,-6.89732,-5.5,-2.18,-5.158867670487448
Cc1cc(C[NH+](C)CCCOc2ccccc2N)no1,C36198513_decoy,ADA,Decoy,0,-6.19928,-5.51,-0.33,-4.61369833683592
CC[NH2+]CCCNC(=O)/C=C/c1ccc2c(c1)OCO2,C36281969_decoy,ADA,Decoy,0,-7.30799,-7.06,-0.41,-6.98576295019702
COc1cc(OC)c(C[NH2+]C(C)(C)CO)c(OC)c1,C37376682_decoy,ADA,Decoy,0,-7.57253,-6.06,-0.1,-6.390984323280798
CCC[NH2+][C@@H](C)c1ccccc1OC[C@@H]1CNC(=O)O1,C37707210_decoy,ADA,Decoy,0,-6.80116,-6.87,-1.16,-7.398894971000921
COC(=O)[C@@H]([NH2+]C[C@@H](O)COC1CCCC1)C(C)C,C37887841_decoy,ADA,Decoy,0,-7.41729,-5.43,-3.23,-7.443119010911131
CC[C@@H](C)NC(=O)CC[NH2+]Cc1ccc2c(c1)OCO2,C38013501_decoy,ADA,Decoy,0,-6.71871,-7.01,-0.28,-10.168927746375068
CC(C)C[C@@H](CO)[NH2+]Cc1ccc([N+](=O)[O-])cc1,C41664526_decoy,ADA,Decoy,0,-6.74016,-6.33,-0.31,-6.289942755252175
O=C(C[C@H]1CCC[NH2+]1)NCCCOC[C@H]1CCCO1,C42171309_decoy,ADA,Decoy,0,-6.89554,-6.2,-0.48,-8.05511026413623
COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)C(=O)NCC(C)C,C43435636_decoy,ADA,Decoy,0,-7.14024,-5.23,-1.63,-5.067096422042359
COC(=O)[C@H](CC(C)C)[NH2+][C@@H](C)C(=O)NC1CCCC1,C43435644_decoy,ADA,Decoy,0,-7.35216,-6.01,-0.96,-7.221625667796386
CCOc1cc(C[NH3+])ccc1OCC(=O)OC(C)C,C43445885_decoy,ADA,Decoy,0,-6.48895,-5.78,-0.54,-5.163721651724963
Cc1cc(C[NH2+]C[C@@H](O)CO[C@H]2CCCC[C@@H]2C)no1,C44425087_decoy,ADA,Decoy,0,-7.24181,-5.52,-1.05,-5.0586094659143415
Cc1cc(C[NH2+]C[C@H](O)CO[C@@H]2CCCC[C@@H]2C)on1,C44991069_decoy,ADA,Decoy,0,-7.78032,-7.48,-0.3,-8.561059053507583
Cc1cc(C[NH2+]C[C@@H](O)CO[C@H]2CCCC[C@@H]2C)on1,C44991075_decoy,ADA,Decoy,0,-7.76608,-6.54,-0.71,-6.748395247381588
CC[NH2+][C@@H](C)c1ccc(NC(=O)N(C)CCOC)cc1,C48925490_decoy,ADA,Decoy,0,-7.07384,-5.95,-0.43,-5.94499908891498
CCN(CCOC)C(=O)Nc1ccc([C@H](C)[NH2+]C)cc1,C49018329_decoy,ADA,Decoy,0,-6.65716,-5.61,-1.72,-5.439598083599285
CC(C)(C)c1n[nH]cc1C[NH2+]CCCn1cccn1,C49021208_decoy,ADA,Decoy,0,-6.47713,-6.28,-0.61,-5.812259456234503
COCCCNC(=O)NC[C@]1([NH+](C)C)CCC[C@@H](C)C1,C49267858_decoy,ADA,Decoy,0,-6.92096,-6.16,-1.28,-6.643545266915763
C[C@@H]([NH3+])CCc1ccc(OCc2noc(C3CC3)n2)cc1,C49337080_decoy,ADA,Decoy,0,-7.74964,-6.74,-0.62,-5.858720394751221
CCOC(=O)[C@@H](C)[NH2+]CC(=O)NC1CCCCC1,C49372599_decoy,ADA,Decoy,0,-6.57332,-5.18,-2.43,-4.743347224824447
CC[C@H](C)[C@H](NC(=O)CCC1CC[NH2+]CC1)C(=O)OC,C50945111_decoy,ADA,Decoy,0,-7.07099,-7.18,-0.72,-6.802774971857716
CCC[NH2+]CCOc1ccccc1S(=O)(=O)NCC,C51869379_decoy,ADA,Decoy,0,-6.95246,-5.07,-2.94,-5.317457503027346
C=CC[NH+](CC=C)CC(=O)NC(=O)NCC(F)(F)F,C52869246_decoy,ADA,Decoy,0,-5.30551,-6.27,-0.4,-6.36964020484975
Cc1ccc(C[NH2+]C[C@H](O)COc2ccccc2C#N)o1,C53037251_decoy,ADA,Decoy,0,-7.69375,-6.05,-0.67,-5.570323728769416
C=CCc1ccccc1OCCn1cc(C[NH3+])nn1,C53042833_decoy,ADA,Decoy,0,-8.09977,-6.15,-1.15,-9.074295647831644
CCOC(=O)[C@@](C)(N)CCN1CC[NH+]([C@@H](C)CC)CC1,C55070941_decoy,ADA,Decoy,0,-8.23141,-6.6,-1.44,-7.1700949225934965
CCCSc1ncc(CNCCc2c[nH]c[nH+]2)cn1,C55197959_decoy,ADA,Decoy,0,-10.4316,-6.66,-0.85,-8.006899119767802
CC[NH+](CC)CCNC(=O)N[C@@H](C)Cc1ccco1,C59034816_decoy,ADA,Decoy,0,-6.24287,-6.34,-0.71,-6.26379860961782
CC[NH+](CC)CCNC(=O)N[C@H](C)Cc1ccco1,C59034819_decoy,ADA,Decoy,0,-6.33719,-6.36,-1.54,-6.5106598146608565
CCOCCCNC(=O)NCC1([NH+](C)C)CCCC1,C60937862_decoy,ADA,Decoy,0,-7.0385,-6.43,-0.36,-7.009514996829919
CCNC(=O)C[NH+](CC)Cc1nc(NC)ccc1Cl,C61638934_decoy,ADA,Decoy,0,-7.09023,-6.39,-0.98,-6.688517985042233
CCNC(=O)C[NH+](CC)CC(=O)NC1CCC(C)CC1,C61783840_decoy,ADA,Decoy,0,-6.68611,-6.63,-1.25,-8.37251498919698
CCC(CC)NC(=O)C[NH+](C)CC(=O)NC(C)(C)C,C61785330_decoy,ADA,Decoy,0,-6.30821,-5.94,-0.69,-6.203872948688503
CCCN(CCO)c1c(C[NH2+]C(C)(C)C)c(C)nn1C,C62736922_decoy,ADA,Decoy,0,-7.18761,-4.59,-0.93,-4.582401630148673
CC[NH2+]Cc1c[nH]c(Cc2ccc(OC)c(OC)c2)n1,C62821065_decoy,ADA,Decoy,0,-7.67955,-6.79,-0.55,-6.9019570409439615
CC[C@@H](C)[C@@H](NC(=O)C1(CC)CC[NH2+]CC1)C(=O)OC,C62848756_decoy,ADA,Decoy,0,-7.04357,-6.85,-0.58,-7.464991915696349
CCC[C@]1(C(=O)N(CC)CC(=O)NC(C)C)CC[NH2+]C1,C62894431_decoy,ADA,Decoy,0,-6.48913,-4.39,-1.87,-4.31448368122734
CCC[C@]1(C(=O)N[C@@H](C(=O)OC)C(C)C)CC[NH2+]C1,C62900088_decoy,ADA,Decoy,0,-6.59787,-5.93,-1.35,-6.011724974006719
CC[C@H](C)[NH+](C)CCNC(=O)CNC(=O)C1CCCC1,C66125728_decoy,ADA,Decoy,0,-6.8101,-7.03,-1.42,-7.388289818208995
CCCCN(CCCC)C(=O)C[NH+]1CCC[C@H]1C(N)=O,C66560712_decoy,ADA,Decoy,0,-7.22148,-6.8,-0.41,-7.422757303584606
CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCCOC,C66599511_decoy,ADA,Decoy,0,-7.17178,-4.56,-0.4,-4.669573664404743
CCCC[NH+]1CCCC[C@@H]1CNC(=O)NCCOC,C66686999_decoy,ADA,Decoy,0,-7.25928,-4.93,-1.37,-4.993813387816943
CC(C)CNC(=O)C[NH+](C)CC(=O)NC(C)(C)C,C49974425_decoy,ADA,Decoy,0,-6.24952,-5.56,-1.72,-5.677841440204882
CCC(C)(C)NC(=O)C[NH+](C)CC(=O)NC(C)C,C50274740_decoy,ADA,Decoy,0,-6.09966,-5.89,-0.93,-7.074555909835785
C/C=C/c1ccc(OC[C@@H](O)C[NH2+][C@@H](CC)CO)c(OC)c1,C06552534_decoy,ADA,Decoy,0,-8.00295,-7.27,-0.92,-8.74682469462275
C=CC[NH2+]Cc1cc(Cl)c(OCC(N)=O)c(OCC)c1,C08253753_decoy,ADA,Decoy,0,-6.98401,-6.15,-1.01,-6.257576775992416
CCOc1cc(C[NH2+]CCCCCO)ccc1OCCO,C20934904_decoy,ADA,Decoy,0,-9.20446,-5.66,-1.34,-6.22340964405103
CCCOc1c(Cl)cc([C@@H](C[NH3+])N(C)CCO)cc1OC,C32072032_decoy,ADA,Decoy,0,-8.78694,-6.53,-0.59,-7.606565730162392
[NH3+]Cc1ccc(OC[C@H](O)COCc2ccco2)cc1,C35727731_decoy,ADA,Decoy,0,-6.9974,-6.31,-0.86,-8.619230265694755
[NH3+]Cc1ccccc1OC[C@H](O)COCc1ccco1,C35727734_decoy,ADA,Decoy,0,-7.47584,-5.67,-0.97,-5.972020127873986
[NH3+]Cc1ccc(OC[C@@H](O)COC[C@H]2CCCCO2)cc1,C35727978_decoy,ADA,Decoy,0,-7.51227,-6.43,-0.53,-6.362578409835123
O=C(CNC(=O)c1ccccc1)NCCC[NH2+]C1CC1,C36262888_decoy,ADA,Decoy,0,-6.38787,-7.62,-0.54,-7.800195798816025
CCNS(=O)(=O)c1ccccc1NCCC[NH2+]C1CC1,C36269359_decoy,ADA,Decoy,0,-7.68028,-5.71,-1.02,-6.303150393982355
C=CCOc1cc(C(=O)NCCC[NH+](C)C)ccc1N,C36291851_decoy,ADA,Decoy,0,-8.18933,-6.27,-0.81,-7.835098740102819
C[C@H]([NH2+]CCCOCC1CC1)c1cccc(S(N)(=O)=O)c1,C37236997_decoy,ADA,Decoy,0,-8.53255,-6.67,-1.02,-6.929223770875121
CC(C)NC(=O)C[NH2+]C[C@@H](O)COC[C@H]1CC=CC[C@H]1C,C37892377_decoy,ADA,Decoy,0,-7.43106,-6.69,-1.4,-9.021496954724777
C[C@H]1CCCC[C@@H]1OC[C@H](O)C[NH2+]CC(=O)NC1CC1,C37892563_decoy,ADA,Decoy,0,-7.72011,-7.2,-1.65,-7.684304932112692
CC[C@H](C)NC(=O)CC[NH2+]C[C@@H](O)COCC(C)C,C38014374_decoy,ADA,Decoy,0,-7.68115,-6.6,-0.67,-7.499574458031486
CC[C@@H](C)NC(=O)CC[NH2+]C[C@H](O)COC(C)(C)C,C38014569_decoy,ADA,Decoy,0,-7.12333,-6.74,-1.05,-7.279931320740225
CC[C@@H](C)NC(=O)CC[NH2+]CC(=O)NC1CCCCC1,C38014751_decoy,ADA,Decoy,0,-7.41531,-7.42,-0.76,-7.486570285685818
CC(C)COc1ccc([C@H](C)[NH2+]CCS(N)(=O)=O)cc1,C36744952_decoy,ADA,Decoy,0,-9.71919,-6.89,-1.54,-7.752490355489948
CC[C@@H](C)[C@H]([NH3+])C(=O)NC[C@@H](CC(C)C)N1CCOCC1,C40824616_decoy,ADA,Decoy,0,-8.10086,-5.37,-0.99,-5.04056578896095
C[C@]([NH3+])(C(=O)NCCCOC[C@H]1CCCO1)C1CC1,C40826344_decoy,ADA,Decoy,0,-7.2462,-5.48,-0.69,-5.66914545932031
CCNC(=O)CN(CC)[C@@H](c1ccncc1)[C@@H]([NH3+])CC,C43354397_decoy,ADA,Decoy,0,-6.18528,-5.98,-2.76,-6.324751813810997
COCCCC[NH2+][C@H](C)c1ccc(S(N)(=O)=O)cc1,C44657402_decoy,ADA,Decoy,0,-8.52585,-6.5,-0.68,-7.549782737531014
CCCNC(=O)CC[NH2+]C[C@@H](O)CO[C@H]1CCCC[C@@H]1C,C45073705_decoy,ADA,Decoy,0,-7.41432,-7.54,-1.1,-8.401822679128255
CCCNC(=O)CC[NH2+]C[C@@H](O)CO[C@H]1CCC[C@H](C)C1,C45073711_decoy,ADA,Decoy,0,-7.69264,-7.39,-0.82,-7.357360296593214
COCC[NH+](CC(C)C)C[C@](C)(NC1CC1)C(N)=O,C45275830_decoy,ADA,Decoy,0,-7.70627,-5.11,-1.11,-7.43057261304122
CCN[C@](C[NH+](C)CCOC)(C(N)=O)c1ccccc1,C45280207_decoy,ADA,Decoy,0,-6.96932,-6.14,-2.81,-6.5468609086568135
CCCN[C@](C)(C#N)CCC[NH+]1C[C@H](C(N)=O)CC[C@@H]1C,C45314817_decoy,ADA,Decoy,0,-8.86129,-7.18,-1.57,-7.277642782242799
CC(C)[NH2+][C@@](C)(CCCCN1C[C@@H](C)O[C@H](C)C1)C(N)=O,C45376918_decoy,ADA,Decoy,0,-8.49095,-6.85,-0.47,-8.21365061550664
CCC[NH2+][C@@](C)(CCCOC[C@H]1CCOC1)C(N)=O,C45467754_decoy,ADA,Decoy,0,-7.3505,-6.54,-1.34,-7.768021276649525
CCC[NH2+][C@](C)(CCCCOC[C@@H]1CCCO1)C(N)=O,C45475902_decoy,ADA,Decoy,0,-7.1876,-6.23,-0.23,-6.965987408145706
CC(C)[NH2+][C@@](C)(CCCOC[C@@H]1CCCCO1)C(N)=O,C45503080_decoy,ADA,Decoy,0,-7.75177,-7.03,-0.81,-7.476991487824987
CCC(CC)NC(=O)C[NH+](CC(N)=O)C1CCCC1,C48574985_decoy,ADA,Decoy,0,-7.03403,-6.53,-0.59,-6.770540991428288
CCC(CC)(CNC(=O)CNC(=O)NC1CC1)[NH+](C)C,C49093699_decoy,ADA,Decoy,0,-6.52494,-6.15,-2.44,-6.339852109466774
CCNC(=O)[C@@H](C)[NH2+]C[C@@H](O)CO[C@@H](C)CC(C)C,C49201315_decoy,ADA,Decoy,0,-6.86763,-6.66,-1.23,-8.022434409263848
COC[C@H](C)NC(=O)COc1ccc(Cl)cc1C[C@@H](C)[NH3+],C49291765_decoy,ADA,Decoy,0,-6.87918,-5.1,-0.54,-4.736378711775178
CCC[NH2+][C@](C)(CCN(C)c1ccc(OC)cc1)C(N)=O,C49972001_decoy,ADA,Decoy,0,-6.96162,-7.4,-1.04,-7.177505635769385
CC[C@H](C)NC(=O)CCNC(=O)CCC1CC[NH2+]CC1,C50948198_decoy,ADA,Decoy,0,-7.67044,-5.75,-1.49,-5.484468889794841
CC[C@@H](C)NC(=O)CCNC(=O)CC[C@H]1CCCC[NH2+]1,C50948209_decoy,ADA,Decoy,0,-6.76215,-7.17,-1.66,-7.241526375598506
CC[C@H](C)NC(=O)CCNC(=O)CC[C@H]1CCCC[NH2+]1,C50948211_decoy,ADA,Decoy,0,-6.88467,-6.74,-0.67,-10.755582754963536
CC(C)(C)c1ccc(OC[C@H](O)C[NH+](CCO)CCO)cc1,C03151867_decoy,ADA,Decoy,0,-8.22439,-6.16,-0.49,-8.155368917952972
CC[NH+](CC)CCCN[C@@H](C)c1ccc(S(N)(=O)=O)cc1,C37210911_decoy,ADA,Decoy,0,-7.64008,-6.31,-1.78,-7.144351062729207
COCCCNC(=O)CN(CCC[NH3+])C1CCCCC1,C49282688_decoy,ADA,Decoy,0,-7.57809,-5.81,-0.65,-7.1131307860122535
COC[C@H](C)NC(=O)CN(CCC[NH3+])C1CCCCC1,C49290513_decoy,ADA,Decoy,0,-7.72203,-6.38,-1.61,-7.74071327858509
COC[C@H](C)NC(=O)CN(CCC[NH3+])C1CCCCCC1,C49290517_decoy,ADA,Decoy,0,-7.95537,-5.34,0.0,-6.640565596306736
CCNC(=O)CN(CC)[C@H](c1ccc(C)o1)[C@H]([NH3+])CC,C43364979_decoy,ADA,Decoy,0,-7.13977,-4.29,-0.66,-4.407827323212465
CCCN(CC(=O)N[C@H](C)COC)C1(C[NH3+])CCCCC1,C50088295_decoy,ADA,Decoy,0,-7.10666,-5.63,-1.03,-5.612568163971639
CCC(CC)N(CCOC)c1cc[nH+]c(/C(N)=N/O)c1,C61813795_decoy,ADA,Decoy,0,-8.98232,-6.92,-0.44,-12.594632009634472
CCN[C@@H](CC[NH+](CCOC)[C@@H](C)C1CC1)C(N)=O,C62463367_decoy,ADA,Decoy,0,-7.96214,-5.92,-0.28,-7.327713398051703
COCC[NH2+]Cc1cc(C)c(OC[C@@H](C)C(N)=O)c(C)c1,C62728652_decoy,ADA,Decoy,0,-7.8057,-6.36,-1.69,-7.163068836150905
CCOCCS(=O)(=O)N[C@H](C[NH3+])C1CCCCC1,C63153333_decoy,ADA,Decoy,0,-9.66068,-6.47,-0.6,-9.402570300760658
CC[NH+](CC)CCCCNc1cc(Cl)nc(N)n1,C65944874_decoy,ADA,Decoy,0,-7.76347,-6.2,-0.78,-7.331540544293822
CCSc1nnc(CC[NH2+]C2CCCCC2)n1C,C05001735_decoy,ADA,Decoy,0,-7.31988,-6.63,-1.6,-6.9312271385833455
CCC[C@@H](C)[NH2+]C1CCN(C(=O)OCC)CC1,C19965290_decoy,ADA,Decoy,0,-6.27973,-5.2,-0.84,-5.609017934696812
CCOC(=O)N1CCC([NH2+][C@@H](C)[C@@H](C)CC)CC1,C20092979_decoy,ADA,Decoy,0,-6.90046,-6.25,-1.47,-6.186341136496241
C[C@@H]([NH2+]CCCOCC1CC1)c1ccc2c(c1)OCO2,C20190699_decoy,ADA,Decoy,0,-6.97151,-6.52,-0.81,-6.537495590852289
CCN(c1nc2ccccn2c1C[NH2+]C1CC1)C(C)C,C35449119_decoy,ADA,Decoy,0,-6.10895,-5.45,-1.6,-4.562936907089509
CC(C)CC[NH2+]C1CCN(C(=O)OC(C)(C)C)CC1,C36878868_decoy,ADA,Decoy,0,-6.78931,-5.9,-0.61,-5.643210403836752
CCC[NH2+][C@H]1CCN(c2ccc(OC)cc2OC)C1,C37241072_decoy,ADA,Decoy,0,-6.68521,-5.6,-0.33,-5.593601519382097
COc1cc(OC)c(C[NH2+]CC2CCCC2)c(OC)c1,C37252155_decoy,ADA,Decoy,0,-6.79096,-5.42,-1.72,-4.956809277821901
CC[NH2+][C@@H](C)[C@H](C)Cc1cc(F)ccc1[N+](=O)[O-],C37949357_decoy,ADA,Decoy,0,-5.49872,-6.09,0.06,-6.128833665249564
CCC[C@@H](C)[NH2+][C@H]1CCCN(C(=O)OC(C)(C)C)C1,C43323823_decoy,ADA,Decoy,0,-6.73196,-4.69,-1.84,-4.413164243904389
CCC[NH2+]Cc1ccc(OCc2cnoc2)c(Cl)c1,C43479112_decoy,ADA,Decoy,0,-7.008,-6.08,-0.39,-6.190904159897656
CC[NH2+][C@@H](c1ccc(C)o1)c1c(OC)cccc1OC,C43610555_decoy,ADA,Decoy,0,-6.59493,-6.25,-1.39,-5.939406384719429
CCC[NH2+][C@H](COCC)c1ccc2c(c1)OCCCO2,C44044369_decoy,ADA,Decoy,0,-7.13769,-6.08,-2.86,-7.002368313915118
CCC[NH2+][C@@H](COCC1CC1)c1ccc2c(c1)OCO2,C44068320_decoy,ADA,Decoy,0,-6.92427,-6.53,-0.29,-6.516468067831444
CCOC(=O)[C@](C)(C[NH+]1CCC[C@H]1CC)NC(C)C,C45221201_decoy,ADA,Decoy,0,-6.43222,-4.19,-3.27,-4.30881145940577
CCOC(=O)[C@](C)(C[NH+]1CCC[C@@H]1CC)NC(C)C,C45221204_decoy,ADA,Decoy,0,-6.9984,-4.48,-0.84,-4.528306159560602
CCCN[C@](C)(C[NH+]1CCC(CC)CC1)C(=O)OC,C45281387_decoy,ADA,Decoy,0,-7.54482,-5.72,-1.38,-5.709559439487487
COC(=O)[C@](C)(CCOC1CCCCC1)[NH2+]C1CC1,C45505225_decoy,ADA,Decoy,0,-6.90663,-5.17,-2.47,-4.87334797439086
CCC[NH2+][C@H](c1ccc(OC)cc1OC)[C@@H]1CCOC1,C48625557_decoy,ADA,Decoy,0,-6.25425,-5.0,-2.26,-4.630748906546076
COc1cc(C)cc(OC)c1OCC[NH2+]C(C)(C)C,C48784387_decoy,ADA,Decoy,0,-6.51721,-5.68,-0.7,-5.289723495908749
CCN(CC)C(=O)NC[C@H](C(C)C)[NH+]1CCCCC1,C49736480_decoy,ADA,Decoy,0,-6.28528,-5.91,-0.68,-5.843578388154143
CC(C)C[C@H](CNC(=O)c1ccco1)[NH+]1CCCCC1,C49737236_decoy,ADA,Decoy,0,-6.68145,-5.82,-0.7,-4.866049638135396
CC[NH2+]Cc1cc2c(cc1OC[C@@H](C)CC)OCO2,C50424035_decoy,ADA,Decoy,0,-6.68805,-6.06,-0.52,-6.196027534047543
CC(C)(C)[NH2+]CCc1nnc(CCC2CCCCC2)o1,C50620628_decoy,ADA,Decoy,0,-8.40832,-7.33,-0.52,-8.076311409122624
CCCC1CC[NH+](C[C@@](C)(NC)C(=O)OC)CC1,C50905622_decoy,ADA,Decoy,0,-7.48329,-6.36,-0.74,-7.148846171956741
CCNCc1cccc(N(C)c2cccc(OC)c2)[nH+]1,C51484815_decoy,ADA,Decoy,0,-7.60233,-6.94,-0.06,-6.70370544372172
CCN(Cc1ccco1)c1ccc(Cl)c(C[NH2+]C)n1,C51518378_decoy,ADA,Decoy,0,-7.1239,-5.99,-1.46,-5.97175022589437
C[NH2+]Cc1nc(C(C)C)ncc1N(CC(C)C)C(C)C,C51519473_decoy,ADA,Decoy,0,-7.37828,-6.17,-1.54,-7.047393714382451
CC[C@@H]1CCCC[C@H]1Oc1ccc(C[NH2+]C2CC2)nn1,C51525507_decoy,ADA,Decoy,0,-7.51249,-6.16,-0.71,-6.740797929046205
COC(=O)[C@@](C)(COCC1CCCCC1)[NH2+]C1CC1,C52157055_decoy,ADA,Decoy,0,-7.41875,-5.62,-0.72,-5.536476535794591
CC(C)[NH2+]Cc1ccc(OCC2CCCCC2)nn1,C52170765_decoy,ADA,Decoy,0,-7.0907,-6.52,-0.67,-5.819657475913863
CCC[NH2+]Cc1cc(CN(C)c2ccc(F)cc2)on1,C52540494_decoy,ADA,Decoy,0,-6.92854,-6.71,-0.73,-6.073545373456389
CC[NH2+]Cc1ccc(Cn2nc(C)c(CC)c2C)o1,C52592011_decoy,ADA,Decoy,0,-6.6756,-6.14,-0.98,-5.75010366433508
C[C@H](CC[NH2+]C(C)(C)C)OCc1ccc2c(c1)OCO2,C52625171_decoy,ADA,Decoy,0,-6.81321,-5.77,-0.45,-5.453679870429903
Fc1ccc(OCc2cc(C[NH2+]C3CC3)no2)c(F)c1,C52650746_decoy,ADA,Decoy,0,-6.17087,-6.54,0.07,-6.44112602776398
COc1cc(OC)cc(N2CC[C@@H](C[NH2+]C3CC3)C2)c1,C53011103_decoy,ADA,Decoy,0,-7.10373,-6.65,-0.8,-6.127907756444082
Cc1cc(C)cc(Cc2noc(CC[NH2+]C3CC3)n2)c1,C53749313_decoy,ADA,Decoy,0,-7.55356,-7.14,-0.4,-6.9897535825082375
CC[C@@H](C)C[NH2+]Cc1cc([N+](=O)[O-])c(F)cc1F,C54468797_decoy,ADA,Decoy,0,-5.76174,-7.1,-0.99,-5.986714731898892
COCC[NH2+]C1(C(=O)OC)CCC(C(C)C)CC1,C54557482_decoy,ADA,Decoy,0,-7.16414,-3.72,0.14,-4.005391700226178
CCC[NH2+]C[C@@H](C)c1c(C)nc(N2CCCC2)nc1C,C54854922_decoy,ADA,Decoy,0,-6.93945,-5.49,-0.71,-5.101856770706661
CC[NH2+]Cc1c(N(C)C[C@@H](C)CC)nc2sccn12,C35430267_decoy,ADA,Decoy,0,-7.56018,-5.75,-0.94,-6.13519370628839
CCC(CC)N1C(=O)C[C@H]([NH2+]CCC2CCCC2)C1=O,C37741163_decoy,ADA,Decoy,0,-7.32834,-5.9,-0.47,-6.418237258968875
COCCN(CCOC)C[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1,C48895639_decoy,ADA,Decoy,0,-7.18802,-5.6,-2.17,-6.410995861497401
COCCN(CCOC)C[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1,C48895640_decoy,ADA,Decoy,0,-7.56394,-5.73,-2.08,-6.745832592488624
CC(C)COc1cc2c(cc1C[NH2+]C(C)C)OCO2,C44418062_decoy,ADA,Decoy,0,-6.5584,-5.98,-0.04,-5.587795372043446
Cc1ccc(Cc2noc(CC[NH2+]C3CC3)n2)cc1C,C61681124_decoy,ADA,Decoy,0,-8.07218,-7.11,-0.49,-7.330478369084815
CCOC(=O)[C@]1(NC2CCCCC2)CC[NH+](C2CC2)C1,C61991626_decoy,ADA,Decoy,0,-7.69998,-5.64,-1.44,-5.257645831704137
Cc1nn(C)c(N(C)CC(C)(C)C)c1C[NH2+]C(C)(C)C,C62737983_decoy,ADA,Decoy,0,-6.16557,-4.17,-1.1,-3.732528327615622
CCC[NH2+][C@H]1CCc2c(OCc3ccno3)cccc21,C62799897_decoy,ADA,Decoy,0,-7.34015,-6.35,-0.49,-6.074528635810577
CC[NH2+]Cc1cc(-c2ccc(OCC)cc2)on1,C66113706_decoy,ADA,Decoy,0,-6.67207,-6.45,-0.43,-6.058547989287238
C=CC[NH2+][C@@H](CC(=O)Nc1ccc(C(C)C)cc1)C(=O)[O-],C06358982_decoy,ADA,Decoy,0,-8.41575,-6.73,-0.31,-8.2228247578997
C[C@@H](NC(N)=O)C(=O)OCc1ccc(C(C)(C)C)cc1,C03314374_decoy,ADA,Decoy,0,-7.47549,-7.96,-0.38,-11.246863496231494
CCCNC(=S)NNC(=O)COc1c(C)cccc1C,C16311872_decoy,ADA,Decoy,0,-7.55025,-6.59,-0.89,-9.808076829657589
CCCNC(=O)COC(=O)c1cc(Cl)ccc1N,C05044765_decoy,ADA,Decoy,0,-6.61829,-6.23,-1.0,-6.139473760045849
CC[C@@H](C)C[C@H](CC)Nc1ccc2[nH]c(=O)c(=O)[nH]c2c1,C37073590_decoy,ADA,Decoy,0,-7.71923,-7.52,-1.58,-6.740778937756237
CCOc1cc(NCc2ccc(O)cc2O)ccc1OC,C37091767_decoy,ADA,Decoy,0,-6.60676,-7.32,-0.96,-6.930314004409205
CC(C)COc1nc(N[C@H](C)[C@H]2CCCO2)ccc1N,C35734599_decoy,ADA,Decoy,0,-6.67873,-6.23,-1.18,-5.286559742330485
CCCCC1CCC(C(=O)N(C)CC/C(N)=N/O)CC1,C40369394_decoy,ADA,Decoy,0,-9.99089,-7.02,-0.92,-9.099609349640463
O=C(C[NH2+]CC1CC1)Nc1cc(C(=O)[O-])ccc1Cl,C40479390_decoy,ADA,Decoy,0,-7.67616,-5.95,-0.84,-5.485911776293164
CC(C)(C)[NH2+]CCC(=O)Nc1ccc(F)cc1C(=O)[O-],C40480046_decoy,ADA,Decoy,0,-6.22569,-6.8,-0.45,-5.949007376166924
CCC(CC)NC(=O)[C@@H](C)OC(=O)c1ccc(N)cc1,C41064453_decoy,ADA,Decoy,0,-6.28562,-6.25,-0.67,-5.1926082570557295
CCC(C)(C)NC(=O)[C@@H](C)OC(=O)c1cc(F)ccc1N,C41064503_decoy,ADA,Decoy,0,-6.667,-7.68,-0.18,-7.276147824638068
C[C@@H]1CCCC[C@@H]1OCCOc1ccc(/C(N)=N/O)cc1,C41068989_decoy,ADA,Decoy,0,-8.44794,-8.1,-0.68,-7.751084408759452
CC[C@H](C)NC(=O)COC(=O)c1cc(N)c(C)c(F)c1,C41102293_decoy,ADA,Decoy,0,-6.311,-6.98,-0.94,-6.390839919503334
CCCNC(=O)C[NH2+][C@@](CC)(C(=O)[O-])c1ccccc1,C41805536_decoy,ADA,Decoy,0,-6.5101,-5.43,-0.48,-5.101811538353271
CCC[C@@]([NH2+]CC(=O)NC(C)C)(C(=O)[O-])c1ccccc1,C41805863_decoy,ADA,Decoy,0,-5.4284,-5.93,-0.82,-4.969776538898439
CCN(C[C@@H](C)/C(N)=N/O)C(=O)CC1CCCCC1,C42445800_decoy,ADA,Decoy,0,-8.41929,-7.31,-0.43,-7.744720379359644
CC(C)COC[C@@H](O)CNC(=O)N[C@H]1CCCC[C@@H]1C,C43043474_decoy,ADA,Decoy,0,-7.83116,-5.56,-1.41,-5.36159442548716
CC[C@H](C)[NH2+]CC(=O)NCC1(CC(=O)[O-])CCCCC1,C43413740_decoy,ADA,Decoy,0,-7.50273,-5.18,-1.47,-5.17052397231853
COC(=O)[C@@H](Nc1nc(C)cc(C)c1C(N)=S)C(C)C,C43437240_decoy,ADA,Decoy,0,-7.79259,-6.49,-2.68,-7.006897625383861
CCOC[C@@H](C)Nc1ccc(N)c(OCC(C)C)n1,C44690209_decoy,ADA,Decoy,0,-7.6758,-6.45,-1.47,-6.968133857416184
CCOC[C@@H](C)Nc1ccc(N)c(OC(C)(C)C)n1,C44690219_decoy,ADA,Decoy,0,-6.06322,-6.25,-1.41,-5.317128861079556
CCN(Cc1ccccc1)C(=O)C(CC)(CC)/C(N)=N/O,C44783066_decoy,ADA,Decoy,0,-6.9375,-7.62,-1.12,-8.417916280586931
CCCCN(CC)C(=O)C1(/C(N)=N/O)CCCCCC1,C44784236_decoy,ADA,Decoy,0,-7.54791,-7.08,0.01,-9.996085948670352
CCCCN(C(=O)C(CC)(CC)/C(N)=N/O)C1CC1,C44785907_decoy,ADA,Decoy,0,-7.04152,-7.06,-0.3,-8.845163527729202
CCC(CC)(C(=O)N(C)[C@H](C)CC(C)C)/C(N)=N/O,C44791956_decoy,ADA,Decoy,0,-7.10607,-6.99,-1.56,-7.801341975894985
CC(C)C[C@@H](C)N(C)C(=O)[C@H](/C(N)=N/O)C(C)C,C44878449_decoy,ADA,Decoy,0,-8.0466,-6.87,-1.11,-7.402986053907726
CC(C)C[C@@H](C)N(C)C(=O)[C@@H](/C(N)=N/O)C(C)C,C44878455_decoy,ADA,Decoy,0,-6.88364,-6.99,-1.75,-7.04914031789232
Nc1ccc(NC[C@H]2CCCOC2)nc1OCC1CC1,C44981854_decoy,ADA,Decoy,0,-6.37809,-5.94,-0.64,-5.6997967609791385
CCCSCc1nc(N)nc(Nc2ccccc2)n1,C48675204_decoy,ADA,Decoy,0,-9.17171,-7.91,-0.67,-8.848649118902948
CC[C@H]1CCCC[C@H]1NC(=O)NCCNC(=O)C(C)C,C48857344_decoy,ADA,Decoy,0,-7.0035,-4.84,-0.77,-4.691115649509287
CCC[C@H](NC(N)=O)C(=O)N(C)CC1CCCCC1,C49113796_decoy,ADA,Decoy,0,-8.1819,-7.17,-0.14,-10.994839060256265
CC[C@H](NS(=O)(=O)c1ccc(OC)c(N)c1)C(C)C,C49127250_decoy,ADA,Decoy,0,-7.39189,-6.53,-0.81,-7.659149889873426
CCCOc1nc(N[C@@H](C)c2ccc(C)o2)ccc1N,C49194018_decoy,ADA,Decoy,0,-8.15604,-7.4,-0.88,-8.089150003852255
C[C@H]1C[C@H]1CNC(=O)NCCC(=O)NC1CCCCC1,C49242591_decoy,ADA,Decoy,0,-7.31686,-5.5,-0.84,-5.2525172693031
CC(C)CC/C(N)=N/OCC(=O)N[C@@H]1CCCC[C@@H]1C,C49322609_decoy,ADA,Decoy,0,-7.53805,-5.27,-2.3,-6.019003540337668
CCCN(CC[NH+](C)C)c1cc(C(=O)[O-])c(N)cc1F,C50033692_decoy,ADA,Decoy,0,-7.35827,-5.99,-0.43,-6.260227592259727
CCCCN1C=[NH+][C@@H](c2cc(OC)cc(OC)c2)C1=[NH2+],C50122606_decoy,ADA,Decoy,0,-6.57679,-5.97,-0.49,-5.69961068718557
CCCOc1nc(N[C@H]2CCC[C@@H]2OC)ccc1N,C50368905_decoy,ADA,Decoy,0,-7.35724,-5.7,-0.99,-5.473667850173961
CCCOc1nc(N[C@H]2CCC[C@H]2OC)ccc1N,C50368909_decoy,ADA,Decoy,0,-6.37793,-6.62,-0.72,-6.881995817514673
C=CCN1C(=[NH2+])[C@@H](c2cc(OC)ccc2OC)[NH+]=C1CC,C50995797_decoy,ADA,Decoy,0,-7.28761,-6.46,-0.97,-6.7951823052576215
C[C@@](NC(=O)C[NH2+]C1CCCC1)(C(=O)[O-])c1ccccc1,C52880767_decoy,ADA,Decoy,0,-7.67819,-5.25,-0.12,-4.938048023289351
CC[C@H](C)[NH2+]CC(=O)Nc1cc(F)c(F)cc1C(=O)[O-],C61564387_decoy,ADA,Decoy,0,-5.83187,-5.39,-0.61,-4.610862078472513
CCOc1cc2cc(C(C)C)c(NN)nc2cc1OCC,C63119317_decoy,ADA,Decoy,0,-8.64465,-8.15,-0.75,-9.519217452868366
CC(C)(C)CCNC(=O)N1CCC[C@@H](CCC(N)=O)C1,C66120387_decoy,ADA,Decoy,0,-8.06469,-7.15,-0.73,-8.763474886406565
CCCNC(=O)NC(C)(C)C(=O)NCC1(C)CCCC1,C66443296_decoy,ADA,Decoy,0,-6.43914,-6.06,-2.68,-5.261061658768607
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NCC1(C)CCCC1,C66598615_decoy,ADA,Decoy,0,-6.51961,-5.59,-1.7,-4.8186549667348775
CC(C)CCC(=O)NN[C@@H](C(=O)NC(C)(C)C)C(C)C,C66965114_decoy,ADA,Decoy,0,-6.63268,-6.93,-3.09,-6.597205055000548
CC(C)CCC(=O)NNC(=O)NCCCC1CCCC1,C67041613_decoy,ADA,Decoy,0,-7.64958,-7.14,-0.98,-7.553227811720598
CC[C@@H](C)NC(=O)NNC(=O)CCC1CCCCC1,C67359258_decoy,ADA,Decoy,0,-7.10419,-5.34,0.15,-5.534303520483447
N#Cc1ccc(OCCSc2nc(N)nc(N)n2)cc1,C11233549_decoy,ADA,Decoy,0,-8.81852,-7.94,-0.01,-8.16367272608317
Cc1cc(C)cc(OCCSCc2nc(N)nc(N)n2)c1,C13018178_decoy,ADA,Decoy,0,-9.08571,-8.02,-0.66,-9.42586278725722
CC(C)(C)NC(=O)NC(=O)COc1ccc(Cl)cc1C(N)=O,C19042484_decoy,ADA,Decoy,0,-7.57382,-7.35,-0.76,-7.913860279584274
CCNC(=O)NC[C@@H]1CCC[C@@H](CNC(=O)NCC)C1,C19075319_decoy,ADA,Decoy,0,-6.62241,-6.93,-0.14,-6.567424133902274
N#Cc1c(CCCNc2ncnc3cc(Cl)ccc23)n[nH]c1N,C22315407_decoy,ADA,Decoy,0,-7.13732,-7.51,-0.29,-7.218895692617619
C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)NC1CCCC1,C28852227_decoy,ADA,Decoy,0,-8.03681,-8.75,-0.63,-9.021417661562692
NO[S@@](=O)c1ccc(-c2ccc([S@@](=O)ON)cc2)cc1,C17173899_decoy,ADA,Decoy,0,-10.5744,-7.7,-0.29,-9.205638239004433
CC(C)Cc1nc(CSc2nc(N)cc(N)n2)no1,C31821333_decoy,ADA,Decoy,0,-8.28562,-6.86,-0.75,-7.600280274892464
COC(=O)c1ccc([C@H](C)Sc2nc(N)cc(N)n2)o1,C31851635_decoy,ADA,Decoy,0,-6.02906,-7.61,-0.06,-7.168347294525781
COc1ccc(NS(=O)(=O)c2ccccc2NN)cc1F,C35354938_decoy,ADA,Decoy,0,-9.47817,-8.25,-1.92,-9.081612762512268
CN(C)c1ccc(NS(=O)(=O)c2ccccc2NN)cc1,C36335693_decoy,ADA,Decoy,0,-9.44042,-8.0,-1.16,-9.30438882548526
Cc1ccccc1NNC(=O)C(=O)NNc1ccccc1C,C01997189_decoy,ADA,Decoy,0,-7.22963,-7.4,-0.6,-6.401714843080384
CCOc1ccc(C(=O)NC2(/C(N)=N/O)CCCC2)cc1,C40372177_decoy,ADA,Decoy,0,-8.24295,-8.37,0.16,-11.455119748470755
CCC(CC)(NS(=O)(=O)Cc1ccccc1)/C(N)=N/O,C40376940_decoy,ADA,Decoy,0,-8.11892,-8.03,-1.22,-8.529887825711775
CCC(CC)(NS(=O)(=O)c1ccc(F)c(F)c1)/C(N)=N/O,C40376973_decoy,ADA,Decoy,0,-7.60522,-7.99,-0.6,-8.229445970047305
NS(=O)(=O)c1ccc(CCNC(=O)NC2CCCC2)s1,C42116084_decoy,ADA,Decoy,0,-9.17679,-7.94,-0.83,-9.29746682393352
C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(NN)nc1,C42869754_decoy,ADA,Decoy,0,-10.3673,-8.34,-0.89,-9.473996789941491
CC(C)CN(CC/C(N)=N/O)C(=O)Nc1ccccc1F,C43419249_decoy,ADA,Decoy,0,-9.62928,-7.99,-1.0,-12.205741198964663
CCC(CC)(C(=O)N[C@@H](C)c1ccc(C)o1)/C(N)=N/O,C44786221_decoy,ADA,Decoy,0,-7.59295,-7.87,-0.04,-8.330771861414853
CC(C)[C@H]1CC[C@@H](C)C[C@H]1NC(=O)NNC(=O)C(=O)NC1CC1,C45639630_decoy,ADA,Decoy,0,-8.05613,-8.72,-0.63,-8.37929735851357
C[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])c1ccc(NC(N)=O)cc1,C45782541_decoy,ADA,Decoy,0,-6.3743,-6.38,-0.19,-5.320015884208508
CNC(=S)NNC(=O)NCCO[C@H]1CCCC[C@H]1C,C46831272_decoy,ADA,Decoy,0,-7.25214,-6.65,-2.0,-7.297148285496245
CC(C)(C)CCNC(=O)Nc1ccc(S(N)(=O)=O)cc1,C47970360_decoy,ADA,Decoy,0,-7.73122,-5.65,-0.4,-4.768585918280694
C[NH2+]CCCNC(=O)Nc1cc(Cl)ccc1C(=O)[O-],C48840689_decoy,ADA,Decoy,0,-6.54654,-7.0,-0.15,-7.18592146077228
CCC(CC)NC(=O)N1CCC[C@H](CNC(N)=O)C1,C48850007_decoy,ADA,Decoy,0,-7.98983,-6.39,-0.35,-7.898281352722479
CCOC(=O)N[C@H](C(=O)NNC(=O)NC)C(C)C,C48950282_decoy,ADA,Decoy,0,-6.12173,-6.43,-0.49,-8.332512026196234
CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccnc(NN)c1,C49122879_decoy,ADA,Decoy,0,-9.97658,-7.78,-0.84,-8.435217182595158
C[C@@H](NS(=O)(=O)c1ccnc(NN)c1)c1ccc(Cl)cc1,C49527047_decoy,ADA,Decoy,0,-10.2204,-7.96,-0.61,-8.465982371232487
C[C@H](CCc1ccco1)NS(=O)(=O)c1ccccc1NN,C49570803_decoy,ADA,Decoy,0,-9.49759,-8.04,-0.72,-8.806442919550541
CCCc1ccc(S(=O)(=O)N[C@H](C)C/C(N)=N/O)cc1,C50389618_decoy,ADA,Decoy,0,-9.06515,-7.07,-0.7,-11.809012717966269
CCC(C)(C)NC(=O)c1cc(NN)ccc1[N+](=O)[O-],C51095285_decoy,ADA,Decoy,0,-7.06459,-7.24,-0.7,-7.582533513349422
CC[C@H](C)[C@H](C)NC(=O)c1ccc([N+](=O)[O-])c(NN)c1,C54415663_decoy,ADA,Decoy,0,-7.59459,-7.61,-0.21,-7.430476041946588
CCCOCCC(=O)N[C@@H](/C(N)=N/O)C1CCCCC1,C54435645_decoy,ADA,Decoy,0,-7.9207,-7.24,-1.38,-8.363568849519092
C[C@H](NC(N)=O)C(=O)Nc1ccccc1N(C)c1ccccc1,C56015101_decoy,ADA,Decoy,0,-7.51852,-7.71,-0.31,-10.21211791602536
CCOc1ccc(C#N)cc1NC(=O)c1cccc(NC(N)=O)c1,C56476832_decoy,ADA,Decoy,0,-8.99512,-8.27,-2.53,-10.323832883914214
NS(=O)(=O)Nc1cccc(NC(=O)C=C(C2CC2)C2CC2)c1,C56602750_decoy,ADA,Decoy,0,-9.5729,-7.17,-2.56,-8.19493456982059
CC(C)[C@@H](C)NC(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1,C55071140_decoy,ADA,Decoy,0,-8.82484,-6.41,-1.52,-6.0354054291441965
CCOC(=O)C1=C(C)OC(N)=C(C(N)=O)[C@H]1c1ccccc1C,C58948677_decoy,ADA,Decoy,0,-7.24616,-7.37,-0.45,-8.60950049319552
CC(C)(C)NC(=O)CSc1nnc(-c2ccccc2O)n1N,C59045470_decoy,ADA,Decoy,0,-8.3454,-7.84,-0.58,-8.106809018945725
NC(=O)NCC(=O)Nc1ccccc1COc1ccccc1,C60417045_decoy,ADA,Decoy,0,-7.81649,-7.26,-1.31,-9.12269150528152
CCCC(CCC)(C(=O)NC[C@@H]1CCOC1)/C(N)=N/O,C61148263_decoy,ADA,Decoy,0,-9.29758,-6.66,0.27,-8.51891281563122
CCOc1ccc(C(=O)N[C@H]2CCC[C@H]2/C(N)=N/O)cc1,C61887586_decoy,ADA,Decoy,0,-9.34308,-7.57,-0.15,-11.925438245115314
CCc1ccc(S(=O)(=O)N[C@H]2CCC[C@H]2/C(N)=N/O)s1,C61888032_decoy,ADA,Decoy,0,-9.53873,-7.94,0.11,-9.74433833678231
CCC[C@]1(C(=O)Nc2ccc(O)cc2C(=O)[O-])CC[NH2+]C1,C62901177_decoy,ADA,Decoy,0,-7.35911,-6.74,-0.31,-7.175696387676603
O=C(NCCC[NH2+]C1CC1)Nc1ccc(C(=O)[O-])cc1F,C63009366_decoy,ADA,Decoy,0,-7.63111,-6.24,-0.81,-5.817179664336792
CCOCCS(=O)(=O)NC1(/C(N)=N/O)CCCCCCC1,C63154490_decoy,ADA,Decoy,0,-8.44405,-7.0,-1.21,-10.21773501857879
CCC[C@H](NC(N)=O)C(=O)NCCCOC1CCCCC1,C63654142_decoy,ADA,Decoy,0,-8.45315,-6.96,-0.07,-7.958141208479173
CCC[C@@H](NC(N)=O)C(=O)Nc1ccc(C)cc1OCCOC,C64299821_decoy,ADA,Decoy,0,-7.49315,-5.62,-0.6,-6.303122720224667
CC(C)CNC(=O)CNC(=O)NCC(=O)NC1CCCCC1,C64630096_decoy,ADA,Decoy,0,-7.0958,-8.07,-2.17,-7.678396729798188
CC[C@H](C)NC(=O)[C@H](C)NC(=O)NNC(=O)CC1CCCCC1,C67081204_decoy,ADA,Decoy,0,-7.68322,-8.2,-1.72,-8.196080609184325
CC(C)C[C@H](NC(=O)NC1CCCCCCC1)C(=O)[O-],C05177156_decoy,ADA,Decoy,0,-8.0068,-5.96,-0.84,-5.6883914419780375
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccccc1Nc1ccccc1,C05800112_decoy,ADA,Decoy,0,-6.99612,-8.62,-0.71,-9.611819303468105
O=C(NC(=S)Nc1ccccc1C(=O)[O-])c1cccs1,C05927279_decoy,ADA,Decoy,0,-8.04446,-6.84,-0.01,-9.416735760879666
CCc1c(Cc2[nH]c(C)c(C(C)=O)c2C)[nH]c(C(=O)[O-])c1C,C00053046_decoy,ADA,Decoy,0,-8.69387,-7.43,-0.56,-10.344805992888864
O=C(CC(=O)NC1CCCCC1)Nc1ccccc1C(=O)[O-],C01512257_decoy,ADA,Decoy,0,-7.39897,-7.7,-1.57,-7.207125831564546
CC(C)C(=O)Nc1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1,C09230434_decoy,ADA,Decoy,0,-7.81913,-8.67,0.22,-12.330596097243152
C[C@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)c1cccs1,C13197974_decoy,ADA,Decoy,0,-8.71388,-7.49,-1.8,-8.775338433072777
CCC(=O)NC(=S)Nc1cc(C(=O)[O-])c(Cl)cc1Cl,C20151241_decoy,ADA,Decoy,0,-7.35808,-6.27,-0.67,-5.854282205459628
Cc1cc(C)cc(C(=O)NC(=S)Nc2cc(C(=O)[O-])ccc2C)c1,C20152147_decoy,ADA,Decoy,0,-8.96805,-9.06,-0.36,-16.49029282733247
CCOc1ccc(/C=N/Nc2nnc([S-])[nH]2)cc1,C06048009_decoy,ADA,Decoy,0,-7.80486,-6.58,0.01,-10.34942628487353
O=C([O-])CCCCC(=O)NC(=O)NC1CCCCCC1,C35326658_decoy,ADA,Decoy,0,-6.93576,-5.63,-0.47,-4.975805006475868
O=C([O-])CCCCCCNC(=O)Nc1cc(Cl)ccc1Cl,C36750215_decoy,ADA,Decoy,0,-8.26558,-5.06,-1.0,-6.045465779917846
COC(C)(C)C[C@H](C)Nc1ccc(-c2cc([O-])[nH]n2)cc1,C37030408_decoy,ADA,Decoy,0,-5.44928,-7.25,-0.4,-7.73974255305624
CC(=O)Nc1ccc(O)c(C(=O)/C=C/c2ccc(C(=O)[O-])cc2)c1,C38647200_decoy,ADA,Decoy,0,-8.60661,-6.27,-0.2,-6.57920419652335
COCCNC(=O)Nc1ccc(Cl)cc1C(=O)[O-],C40524874_decoy,ADA,Decoy,0,-6.6638,-5.53,-0.2,-5.324624247517329
C[C@H]1[C@@H](NC(=O)NCCCC(=O)[O-])CCC[C@@H]1C,C40557050_decoy,ADA,Decoy,0,-6.27352,-5.73,-1.58,-4.508098519601824
Cc1ccc(C(=O)[O-])cc1NC(=O)N[C@H](C)CC(C)C,C40572972_decoy,ADA,Decoy,0,-6.73753,-5.91,-0.77,-4.659847138443388
CC(C)C[C@H](C)NC(=O)Nc1cc(Cl)ccc1C(=O)[O-],C40573012_decoy,ADA,Decoy,0,-6.27296,-5.97,-0.23,-5.150317207677426
CCOCCNC(=O)Nc1cc(Cl)ccc1C(=O)[O-],C40588732_decoy,ADA,Decoy,0,-6.59589,-5.29,-0.41,-5.856493990709859
CC(C)NC(=O)c1ccccc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C42183832_decoy,ADA,Decoy,0,-8.1337,-5.32,-0.86,-4.954318009448963
COc1cc(C(=O)[O-])c(N)cc1OCC(F)(F)F,C42418133_decoy,ADA,Decoy,0,-5.22654,-6.7,-0.65,-5.549175056073465
Cc1cnc(NC(=O)NCC2(CC(=O)[O-])CCCCC2)s1,C43414165_decoy,ADA,Decoy,0,-8.29048,-6.8,-1.0,-9.658743049325937
CC(C)(C)CC(C)(C)NC(=O)N[C@H](C(=O)[O-])C(C)(C)C,C43437649_decoy,ADA,Decoy,0,-6.62361,-4.96,-1.19,-4.47234963591797
O=C(CCC1CCCC1)Nc1ccc(O)cc1C(=O)[O-],C48846902_decoy,ADA,Decoy,0,-6.92556,-6.92,-0.36,-9.198678450049483
CC(C)(C)CCNC(=O)N[C@@](C)(C(=O)[O-])c1ccccc1,C49254532_decoy,ADA,Decoy,0,-8.56632,-6.47,-1.43,-8.048548547338887
CC(C)[C@@H](NC(=O)NCCCC(=O)[O-])c1cccs1,C49561074_decoy,ADA,Decoy,0,-7.25714,-6.8,-1.42,-7.534632252966849
COc1ccccc1[C@H](Sc1nc(C)cc([O-])n1)[C@@H](C)N,C43101129_decoy,ADA,Decoy,0,-7.46115,-7.69,-0.71,-6.972856799264561
CCN(C[C@@H]1CCCO1)c1cc(C(=O)[O-])c(N)cc1F,C50031152_decoy,ADA,Decoy,0,-6.98063,-7.15,-0.17,-6.383230750152213
CCCO[C@H]1CCCN(c2cc(C(=O)[O-])c(N)cc2F)C1,C50032507_decoy,ADA,Decoy,0,-7.5961,-7.39,-0.71,-7.158617998026502
Nc1cc(F)c(N(Cc2ccco2)C2CC2)cc1C(=O)[O-],C50032911_decoy,ADA,Decoy,0,-8.21245,-7.05,0.04,-7.69704091064219
CC(C)CN(CCC#N)c1cc(C(=O)[O-])c(N)cc1F,C50033106_decoy,ADA,Decoy,0,-8.36,-6.8,-0.64,-8.042978811298592
CC(C)(CCC(=O)[O-])NC(=O)c1cc(Cl)ccc1O,C50195139_decoy,ADA,Decoy,0,-6.65806,-6.11,-0.39,-5.622079498608899
CCC(CC)NC(=O)NC(C)(C)CCC(=O)[O-],C50196548_decoy,ADA,Decoy,0,-5.7911,-4.71,-0.66,-4.016158063656597
Cc1cc([C@H](C)NC(=O)NC(C)(C)CCC(=O)[O-])c(C)s1,C50197064_decoy,ADA,Decoy,0,-8.19416,-7.06,-0.89,-7.559377875641256
CC(C)(CCC(=O)[O-])NC(=O)N(CCO)C1CCCC1,C50197167_decoy,ADA,Decoy,0,-6.68223,-7.74,-0.7,-12.931748418262044
O=C([O-])CC1(CC(=O)N[C@H]2CCCC[C@H]2O)CCCCC1,C52005293_decoy,ADA,Decoy,0,-6.82814,-5.29,-1.17,-4.603190700881128
C[C@@H]1C[C@@H]1NC(=O)N(CCO)c1ccc(C(=O)[O-])cc1,C52297285_decoy,ADA,Decoy,0,-7.17051,-5.27,0.16,-4.750647187218847
C[C@@H]1C[C@H]1NC(=O)NCC1(CC(=O)[O-])CCCCC1,C52297654_decoy,ADA,Decoy,0,-5.80817,-6.86,-0.64,-7.398095573598468
C[C@@H](NC(=O)NCCCC(=O)[O-])C1CCCCC1,C52344166_decoy,ADA,Decoy,0,-5.71917,-5.31,-0.64,-4.160485737069765
CC[C@H](NC(=O)NC(C)(C)CCC(=O)[O-])C1CCCCC1,C52344305_decoy,ADA,Decoy,0,-7.07064,-6.28,-1.0,-5.22406434571204
CCC1CCC([NH2+]c2ccc(OC)cc2)(P(=O)([O-])[O-])CC1,C12538237_decoy,ADA,Decoy,0,-7.07337,-7.9,-0.45,-10.342232292200167
CC(C)C(=O)NC(=S)Nc1c(Cl)cc(C(=O)[O-])cc1Cl,C59843094_decoy,ADA,Decoy,0,-7.70436,-6.39,-0.39,-5.723784287590508
CC[C@H]1CCCC[C@H]1NC(=O)NC(=O)C[C@@H](C)CC(=O)[O-],C61833109_decoy,ADA,Decoy,0,-7.202,-5.03,-0.61,-4.933516286683357
CC(C)c1ccc2[nH]c(C(=O)[O-])c(CNS(C)(=O)=O)c2c1,C62339600_decoy,ADA,Decoy,0,-6.28435,-7.42,-1.19,-7.263148607152922
CC[C@@H](Oc1ccc(/C=C/C(=O)[O-])cc1Br)C(N)=O,C62703584_decoy,ADA,Decoy,0,-8.19887,-6.45,-0.74,-7.5883827314258
NC(=O)c1ccc(Cl)cc1N1CCC[C@@H](CCC(=O)[O-])C1,C62785016_decoy,ADA,Decoy,0,-7.58868,-8.28,-1.03,-7.008944155567157
CCC[C@H](NC(=O)Nc1sccc1C(=O)[O-])c1cccs1,C62828654_decoy,ADA,Decoy,0,-7.10135,-5.6,-2.14,-5.926556609150414
CCC(CC)C(=O)N(CC)c1ccc(C(=O)[O-])cc1N,C62835230_decoy,ADA,Decoy,0,-5.89609,-6.31,-0.1,-7.320512869413693
CCC[C@@]1(C(=O)[O-])CCN(c2ccc(C(N)=O)cc2Cl)C1,C62934130_decoy,ADA,Decoy,0,-8.25386,-6.72,-0.13,-7.365682942259957
COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(F)ccc1N,C63209165_decoy,ADA,Decoy,0,-7.93024,-5.37,-1.68,-5.20170199032182
O=C(CNc1ccc2c(c1)OCO2)N/N=C/c1ccc(O)cc1O,C05394925_decoy,ADA,Decoy,0,-8.73452,-8.58,0.02,-14.095138292795989
NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1,C03885823_decoy,ADA,Decoy,0,-9.66625,-5.03,-0.83,-5.756849240667957
COc1ccccc1NS(=O)(=O)c1ccc(NN)c([N+](=O)[O-])c1,C03885821_decoy,ADA,Decoy,0,-8.01443,-7.8,-1.17,-10.907862006208903
Cc1cc(O)c(C)c(O)c1/C=N/NC(=O)CNC(=O)c1ccco1,C03081891_decoy,ADA,Decoy,0,-7.51471,-7.82,-0.46,-7.197733509481001
CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C(C)C)cc1,C13983730_decoy,ADA,Decoy,0,-8.44946,-6.96,-0.83,-7.505292736299742
CNc1ccc(C(=O)NNC(=O)c2ccccc2O)cc1[N+](=O)[O-],C17526383_decoy,ADA,Decoy,0,-7.16103,-9.04,-0.82,-7.454575880876542
Nc1nc(NC2CCCCC2)nc(NC[C@H]2CCCO2)c1[N+](=O)[O-],C09313420_decoy,ADA,Decoy,0,-8.317,-6.52,-0.73,-6.078728518821725
CNC(=O)NC(=O)[C@@H](C)Nc1cccc(NC(=O)C2CC2)c1,C32771644_decoy,ADA,Decoy,0,-6.80402,-6.91,-0.38,-6.252471260478361
COc1ccc(Cl)cc1NS(=O)(=O)c1cccnc1NN,C35358230_decoy,ADA,Decoy,0,-10.2557,-7.13,-0.56,-10.108059688980696
NNc1ccc(S(=O)(=O)NC2CCCC2)cc1[N+](=O)[O-],C36895456_decoy,ADA,Decoy,0,-8.92755,-7.72,-1.41,-10.065710226301176
O=C(CNC(=O)c1ccccc1F)NNC(=O)c1ccccc1O,C09884169_decoy,ADA,Decoy,0,-6.92132,-9.28,-0.86,-11.633772862777198
CC1=C[C@@H](NC(=O)C(=O)N[C@@H](C)Cc2c[nH]c3ccccc23)NO1,C38783398_decoy,ADA,Decoy,0,-6.68292,-8.18,-0.58,-6.415277265091265
O=C(N/N=C/c1ccc[nH]1)c1ccc(C(=O)N/N=C/c2ccc[nH]2)o1,C00031160_decoy,ADA,Decoy,0,-7.09576,-7.64,-0.68,-6.777010825408616
N/C(=N\O)[C@H](NS(=O)(=O)N1CCCCC1)C1CCCCC1,C40376479_decoy,ADA,Decoy,0,-8.59481,-8.41,-0.68,-8.700594928200465
CCN(CCO)c1ncnc(Nc2ccc3c(c2)OCO3)c1N,C40684723_decoy,ADA,Decoy,0,-7.5557,-5.52,-0.45,-5.710835808403903
Nc1nc(NC2CC2)nc(Nc2cccc3cccnc23)c1[N+](=O)[O-],C41334116_decoy,ADA,Decoy,0,-8.54348,-7.36,-0.05,-8.804100842132677
COCCCNC(=O)[C@@H](C)Nc1ccc(NC(=O)NC2CC2)cc1,C42667602_decoy,ADA,Decoy,0,-7.44546,-6.37,-1.93,-7.921512124929676
NC(=O)NCc1ccc(C(=O)NCCc2ccc3c(c2)OCO3)cc1,C44870014_decoy,ADA,Decoy,0,-8.35772,-7.3,-0.8,-7.647821455109061
CCCNC(=S)NNC(=O)COc1ccc2c(c1)CCC(=O)N2,C45140802_decoy,ADA,Decoy,0,-8.72331,-7.2,-1.19,-7.607544506058632
O=C(NCCCOC[C@H]1CCCO1)NNC(=O)Nc1ccccc1,C45161355_decoy,ADA,Decoy,0,-7.03057,-7.5,-0.61,-8.136812569647372
CC[C@@H]1CCCC[C@H]1NS(=O)(=O)c1cnc(NN)nc1,C49122905_decoy,ADA,Decoy,0,-10.1,-7.91,-1.67,-11.441725432029813
CC(C)CNC(=O)NNC(=O)c1[nH]nc(C2CC2)c1Br,C49162883_decoy,ADA,Decoy,0,-7.93731,-7.81,-1.72,-8.422335256977481
NNc1ccc(C(=O)NCc2ccccc2[N+](=O)[O-])cc1,C51118513_decoy,ADA,Decoy,0,-7.08679,-7.5,-1.19,-8.227994708450993
C[C@H](Nc1ncnc2[nH]cnc12)c1ccc(NC(=O)NC2CC2)cc1,C52313912_decoy,ADA,Decoy,0,-7.61767,-7.78,-0.49,-6.289084845570046
CC[C@H](C)CNS(=O)(=O)c1c(NN)nc2ccccn12,C54489363_decoy,ADA,Decoy,0,-9.42912,-7.81,-0.76,-9.226387729958011
COC(=O)Nc1ccc(N[C@H](C)C(=O)NC(=O)NC(C)(C)C)cc1,C56187128_decoy,ADA,Decoy,0,-6.40791,-5.93,-1.25,-5.151469009776846
Nc1ccc(C(=O)NNc2cccc(C(F)(F)F)c2)cc1[N+](=O)[O-],C57351533_decoy,ADA,Decoy,0,-4.74044,-9.39,-0.95,-7.451951574174621
Oc1cccc(/C=N/NC(=S)NCCCN2CCOCC2)c1O,C21274092_decoy,ADA,Decoy,0,-9.14447,-7.5,-1.32,-13.868057515950312
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C(N)N)cc1,C06373045_decoy,ADA,Decoy,0,-9.21125,-8.98,-0.32,-12.954864435163673
O=C(NNC(=O)c1ccccc1O)c1ccc(NC(=O)C2CC2)cc1,C17526498_decoy,ADA,Decoy,0,-7.91612,-6.28,-0.28,-6.151288284723859
CO/N=C/c1ccc(C(=O)N[C@H](C)c2ccc(NC(N)=O)cc2)cc1,C58236136_decoy,ADA,Decoy,0,-8.0674,-6.88,-1.36,-6.064753504530675
NNc1ccc([N+](=O)[O-])c(C(=O)NCCC(F)(F)F)c1,C63102944_decoy,ADA,Decoy,0,-7.45868,-5.19,-0.67,-4.948134709055443
NNc1cc(C(=O)NCCC(F)(F)F)ccc1[N+](=O)[O-],C63102979_decoy,ADA,Decoy,0,-7.76782,-6.04,-0.43,-7.113560954075528
CCCc1c(C(=O)NNC(=O)NC(C)C)[nH]c(C)c1C(C)=O,C63268826_decoy,ADA,Decoy,0,-6.93888,-5.75,-3.35,-4.589239932914192
CC(C)NC(=O)NC(=O)CNc1ccccc1C(=O)NC(C)(C)C,C63468508_decoy,ADA,Decoy,0,-6.84595,-6.15,-2.08,-5.146381091185889
CCC(=O)NCC(=O)N[C@H](C)c1ccc(NC(=O)NC2CC2)cc1,C63759003_decoy,ADA,Decoy,0,-6.97896,-7.35,-1.62,-10.547053530355493
CNC(=O)C1CCC(NC(=O)CNC(=O)NCC2CCCC2)CC1,C50628664_decoy,ADA,Decoy,0,-7.88342,-6.59,-1.03,-6.155734565496527
CCCCCNC(=O)NNC(=O)CN1C(=O)NC(CC)(CC)C1=O,C65131503_decoy,ADA,Decoy,0,-6.66087,-7.94,-0.2,-7.924739163191128
CC(C)CCNC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1,C65143358_decoy,ADA,Decoy,0,-7.5147,-8.36,-1.04,-9.91397150306861
O=C(NCC1CC1)NNC(=O)c1cc2cc([N+](=O)[O-])ccc2[nH]1,C65191733_decoy,ADA,Decoy,0,-7.01543,-8.05,-1.1,-9.819623683949686
NC(=O)COc1ccccc1C(=O)NNC(=O)CC1CCCCC1,C66571470_decoy,ADA,Decoy,0,-7.77495,-8.14,-1.58,-8.281610392497722
CC[C@@H](C)n1nccc1NC(=O)C[C@H](NC(N)=O)c1cccs1,C66661685_decoy,ADA,Decoy,0,-10.9776,-7.43,-2.68,-9.592394546729151
CCNC(=O)NC1(C(=O)NNC(=O)c2cccc(C)c2)CCCC1,C66783708_decoy,ADA,Decoy,0,-7.48506,-5.94,-0.93,-5.336312911858846
CCNC(=O)NC1(C(=O)NNC(=O)CC2CCCCC2)CCCC1,C66790100_decoy,ADA,Decoy,0,-7.90367,-7.32,-1.32,-9.293524249571195
CN(C)c1nc(N)nc(CO/N=C(/N)Cc2cccc(Cl)c2)n1,C66860541_decoy,ADA,Decoy,0,-8.56127,-8.63,-0.67,-8.066471319729292
CC(C)CCC(=O)NNC(=O)NCC(=O)NC(C)(C)C,C67039015_decoy,ADA,Decoy,0,-7.06624,-7.53,-1.95,-10.147768336775496
CC(C)CCC(=O)NNC(=O)NCCNC(=O)CC1CCCC1,C67081650_decoy,ADA,Decoy,0,-7.54263,-8.65,-1.33,-9.17142131462226
Cc1noc(CCCNC(=O)NNC(=O)Nc2ccccc2C)n1,C67084071_decoy,ADA,Decoy,0,-7.48594,-9.04,-1.14,-7.725477544423362
NC(=O)CC[C@@H]1CCCN(C(=O)NNC(=O)CC2CCCCC2)C1,C67103381_decoy,ADA,Decoy,0,-8.80609,-6.95,-3.48,-6.925828530238701
O=C(CC1CCCCC1)NNC(=O)NCC(=O)Nc1ccccc1,C67103544_decoy,ADA,Decoy,0,-7.5598,-8.13,-0.72,-11.664896901685678
COC(=O)[C@H](NC(=O)[C@@H]1C[C@@H](NC(=O)CSC)CCN1C(=O)[C@H]1CCC[NH2+]1)C(C)C,C03838520_decoy,ADA,Decoy,0,-9.34999,-4.79,-2.58,-5.730456499125254
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CN(C(=O)Nc2ccccc2)CCN1C(=O)C1CC[NH2+]CC1,C04277870_decoy,ADA,Decoy,0,-11.0698,-6.74,-3.09,-6.93250707350043
COc1ccc2c(c1OC(C)=O)-c1cc(O)cc3c1[C@H](C2)N(C(=O)C[NH+](CCO)CCO)CC3,C01859095_decoy,ADA,Decoy,0,-10.4381,-8.68,-1.16,-9.413983197627395
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C)C3)cc1,C03006945_decoy,ADA,Decoy,0,-10.2048,-6.66,-1.1,-6.521530551520248
NC(=O)[C@H](CC1CCCCC1)NC(=O)[C@@H]1CN(S(=O)(=O)c2ccccc2)CCN1C(=O)C1CC[NH2+]CC1,C04277869_decoy,ADA,Decoy,0,-10.3073,-9.26,-3.17,-10.094291028836544
O=C(NNC(=O)C1=NO[C@@H](CNc2[nH+]cc(C(F)(F)F)cc2Cl)C1)Nc1ccc([N+](=O)[O-])cc1,C08781642_decoy,ADA,Decoy,0,-8.55201,-9.59,-0.66,-7.669811338940042
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](c2ccc3c(c2)CCCN3C)[NH+]2CCCCC2)cc1,C09165377_decoy,ADA,Decoy,0,-10.1791,-10.01,-1.66,-9.4206322033034
Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N[C@@H](CO)[C@H](O)c3ccc([N+](=O)[O-])cc3)c2c1C,C09647494_decoy,ADA,Decoy,0,-10.0508,-9.4,-1.87,-10.173155250780042
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@@H](c2ccco2)[NH+]2CCCC2)cc1,C11558162_decoy,ADA,Decoy,0,-9.5179,-8.52,-1.18,-8.422167428843718
CC[NH+](CC)CCCNC(=O)C(=O)Nc1c(C(=O)Nc2cccc(F)c2)oc2ccccc12,C09705668_decoy,ADA,Decoy,0,-7.71952,-7.11,-3.61,-6.436455289871949
C[NH+]1CCC[C@H](CNC(=O)c2cc(NCc3ccco3)cc(S(=O)(=O)NC(C)(C)C)c2)C1,C14742466_decoy,ADA,Decoy,0,-10.2546,-7.54,-1.7,-9.186019144181865
Nc1nonc1C(=O)NCC[NH2+]Cc1cc(Br)ccc1OCc1cccs1,C15356871_decoy,ADA,Decoy,0,-9.05074,-8.31,-0.71,-9.256674541121894
O=C1NC[C@@H](CCC(=O)N2CCC(O)CC2)[NH+]2C[C@@H](NC(=S)Nc3ccc(Cl)cc3)C[C@@H]12,C15708752_decoy,ADA,Decoy,0,-10.9177,-9.82,-0.73,-9.80688035672812
CC(C)C[C@@H](NC(=O)[C@H]1CCCN1C(=O)C1(c2ccccc2)CC[NH2+]CC1)C(=O)NCC(N)=O,C17208498_decoy,ADA,Decoy,0,-10.7822,-9.48,-1.59,-14.3058309680105
CCOC(=O)c1c(NC(=O)C[NH+]2CCN(c3ccccc3OCC)CC2)sc(C(N)=O)c1C,C20190183_decoy,ADA,Decoy,0,-10.1956,-8.44,-0.91,-9.418339891698196
Cc1c(C(N)=O)sc(NC(=O)C[NH+]2CCN(C(=O)c3ccco3)CC2)c1C(=O)OC(C)C,C20294931_decoy,ADA,Decoy,0,-9.35081,-8.1,-1.47,-10.629229180716472
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+](C)CC(=O)Nc2ccccc2C(F)(F)F)C1=O,C21580292_decoy,ADA,Decoy,0,-7.47903,-9.1,-1.55,-11.040893141061217
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCC(C(=O)Nc3ccccc3)CC2)C1=O,C23039731_decoy,ADA,Decoy,0,-9.73191,-9.19,-2.21,-9.102528317733514
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@@H](c2ccc3c(c2)CCN3C)N2CC[NH+](C)CC2)cc1,C23857783_decoy,ADA,Decoy,0,-10.1477,-9.02,-0.51,-8.654995900816477
O=C(NCCN1CC[NH2+]CC1)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccc(Cl)cc1Cl,C26805733_decoy,ADA,Decoy,0,-10.5754,-9.77,-0.71,-10.056512732717838
CNC(=O)c1ccc(C[NH+](CC(=O)c2c(N)n(C)c(=O)n(C)c2=O)Cc2ccco2)cc1,C27574538_decoy,ADA,Decoy,0,-8.47522,-8.9,-2.41,-9.086685115113074
CCOC(=O)c1sc(NC(=O)C[NH+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)cc1C,C29062407_decoy,ADA,Decoy,0,-11.1665,-8.85,-1.39,-12.734268156588248
CCC[NH+](CC(=O)Nc1ccccc1C)CC(=O)N1CCc2cc(S(N)(=O)=O)ccc21,C31003790_decoy,ADA,Decoy,0,-9.35437,-9.66,-2.74,-9.216268946076529
COCCN(C(=O)C[NH+]1CCC[C@H]1c1ccc(C)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C32754410_decoy,ADA,Decoy,0,-9.33126,-5.25,-1.8,-6.064693963668355
CCOc1ccc(S(=O)(=O)Nc2ccc(N3CC[NH2+]CC3)c(C(=O)NCCOC)c2)cc1,C33121223_decoy,ADA,Decoy,0,-10.3096,-7.6,-1.3,-8.858168422605429
CCN(C(=O)CN1CC[NH+](Cc2ccsc2)CC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C22798007_decoy,ADA,Decoy,0,-10.2269,-9.4,-1.95,-10.650621432907316
CC(/C=N/NC(=O)c1nnn(-c2nonc2N)c1C[NH+]1CCCCC1)=C\c1ccccc1,C15934686_decoy,ADA,Decoy,0,-9.39876,-9.13,-0.56,-9.879575046169002
CC(C)[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)c2C(N)=O)C1,C17113380_decoy,ADA,Decoy,0,-10.4027,-8.77,-1.72,-10.38118666219248
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCCC[NH+]3CCC(C)CC3)cc2)cc1,C09833696_decoy,ADA,Decoy,0,-10.2793,-7.79,-2.49,-7.424377722028703
C[NH+](Cc1c(C(=O)N/N=C/c2ccc(F)cc2)nnn1-c1nonc1N)C1CCCCC1,C02443460_decoy,ADA,Decoy,0,-10.4655,-8.86,-1.7,-9.91445240382698
COc1ccccc1N1CC[NH+](CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)CC1,C09510321_decoy,ADA,Decoy,0,-9.13787,-6.09,-2.6,-6.354184242424647
C/C=C/C=C/C=C\C(=O)N[C@@H](C(=O)O[C@H](C1=C2C=CC(Cl)=C[C@@H]2N=C1)[C@H]1NC(=O)CNC1=O)[C@@H](C)[NH3+],C39559755_decoy,ADA,Decoy,0,-8.99662,-8.41,-3.63,-7.907334030632913
O=C(NCCOCCO)[C@H]1CN(C(=O)c2ccc(Oc3ccccc3)nc2)CC12CC[NH2+]CC2,C39601912_decoy,ADA,Decoy,0,-10.6901,-9.68,-0.77,-10.074254082983536
CC(=O)N1CCC(C(=O)N2C[C@@H](C(=O)N[C@@H](C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)CC1,C39631685_decoy,ADA,Decoy,0,-11.039,-7.14,-0.98,-8.257040317818818
COc1cc(OC)cc(C(=O)N2C[C@@H](C(=O)N[C@H](C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c1,C39685710_decoy,ADA,Decoy,0,-10.6315,-6.39,-1.3,-7.157363973040796
CCc1ccc(C(=O)N2C[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C3(CC[NH2+]CC3)C2)cc1,C39693409_decoy,ADA,Decoy,0,-9.21776,-7.67,-1.38,-8.57962388261151
CCc1cccc2c1=[NH+]CC=2C(=O)CS[C@H]1NN[C@@H](c2ccc(OC)cc2)[NH+]1CC(=O)[O-],C39708419_decoy,ADA,Decoy,0,-8.03526,-9.1,-1.73,-10.601758507770318
CCOc1ccc(/C(C)=N\NC(=O)c2nnn(-c3nonc3N)c2C[NH+]2CCCC[C@H]2C)cc1,C39948784_decoy,ADA,Decoy,0,-9.57712,-8.63,-1.44,-9.54450936380918
C[C@@H]1CCc2noc(Nc3nc(NCC[NH2+]CCO)nc4c3cnn4-c3ccccc3)c2C1,C41026207_decoy,ADA,Decoy,0,-10.1164,-8.86,-0.8,-10.789086217292487
NS(=O)(=O)c1ccc(CCNC(=O)C2CC[NH+](Cc3nnc(-c4ccc(F)cc4)o3)CC2)cc1,C41273317_decoy,ADA,Decoy,0,-9.97461,-10.34,-0.48,-8.336856208754089
CCSc1ncccc1C(=O)N1C[C@H](C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)C2(CC[NH2+]CC2)C1,C44714556_decoy,ADA,Decoy,0,-12.0072,-10.42,-2.07,-10.001968931128822
COCCNC(=S)N/C(=N/c1nc(C)cc(C)n1)N1CCC(C(N)=O)([NH+]2CCCCC2)CC1,C14161187_decoy,ADA,Decoy,0,-10.7103,-6.53,-1.17,-9.108065578900815
CNS(=O)(=O)c1cc(NCc2c[nH+]c(C)[nH]2)cc(C(=O)Nc2ccc3c(c2)CCC3)c1,C14748887_decoy,ADA,Decoy,0,-10.1958,-9.19,-1.55,-11.46275189317922
CC(C)NC(=O)NC(=O)COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccs1,C63135138_decoy,ADA,Decoy,0,-9.37869,-9.03,-1.29,-10.331757563202697
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CS[C@@H]2NN=C(C3=c4ccccc4=[NH+]C3)O2)C1=O,C39792267_decoy,ADA,Decoy,0,-10.3276,-9.23,-1.88,-9.417903222860708
CC[C@@H]1CC2=c3ccccc3=[NH+][C@H]2[C@H](c2c([O-])[nH]c(=O)n(CCc3ccc(OC)c(OC)c3)c2=O)[NH2+]1,C63386256_decoy,ADA,Decoy,0,-9.21809,-10.07,0.05,-9.431617021550464
C[C@@H](S[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)Nc1sccc1C(N)=O,C39995866_decoy,ADA,Decoy,0,-10.695,-10.11,-1.81,-9.593527234299708
C[C@@H](S[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)C(=O)Nc1sccc1C(N)=O,C39995868_decoy,ADA,Decoy,0,-9.95063,-9.81,-1.86,-13.731898066151665
CCCN1C(=O)c2sccc2N2[C@@H]1NN[C@@H]2CCC(=O)NCCC1=c2ccccc2=[NH+]C1,C64461287_decoy,ADA,Decoy,0,-10.4368,-9.74,-1.76,-9.010766165621344
CCn1c(=O)c(=O)[nH]c2cc(C3=[NH+][C@@H]([C@H](NS(=O)(=O)c4ccc(C)cc4)C(C)C)ON3)ccc21,C64890600_decoy,ADA,Decoy,0,-9.93596,-8.63,-2.01,-9.21551682627158
COc1ccc(N2C[C@@H](C[NH3+])[N-]S2(=O)=O)cc1,C19724110_decoy,ADA,Decoy,0,-7.34979,-6.01,0.08,-7.270510327217432
CC(=O)N1CCc2cc(S(=O)(=O)[N-][NH3+])ccc21,C35431211_decoy,ADA,Decoy,0,-6.95762,-6.34,-0.36,-6.450900964487232
CN(C)C(=O)[C@@H]1CCCN1c1cc2c(cc1N)CC(=O)N2,C36132117_decoy,ADA,Decoy,0,-6.64992,-7.41,-0.43,-5.962645112071361
CC(=O)NCCNC(=O)NC(=O)CCCl,C36746638_decoy,ADA,Decoy,0,-5.90622,-5.4,-0.79,-6.051895809931621
CN(C(=O)c1cc(N)c[nH]1)[C@H]1CCS(=O)(=O)C1,C36869323_decoy,ADA,Decoy,0,-6.10065,-6.85,-0.23,-5.678135471870199
[NH3+]CC#Cc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1,C37581697_decoy,ADA,Decoy,0,-7.48563,-6.31,-0.67,-5.706623678995514
NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CCCl)C1,C37833284_decoy,ADA,Decoy,0,-8.6861,-6.76,-0.48,-7.41097220215051
CN(CC/C(N)=N/O)S(=O)(=O)C(F)F,C40376232_decoy,ADA,Decoy,0,-6.74525,-5.65,-0.04,-6.064421794493557
CCC[C@@](C)([NH3+])C(=O)N1C[C@@H](OC)C[C@@H]1C(=O)[O-],C40480605_decoy,ADA,Decoy,0,-6.39582,-6.53,-0.64,-6.541815450725512
CC(C)[C@@H](NC(=O)NC[C@H]1CC[NH+](C)C1)C(=O)[O-],C40597032_decoy,ADA,Decoy,0,-7.85008,-4.92,-0.44,-4.990807702387493
CO[C@H]1C[NH2+][C@H](C(=O)N[C@H](C(=O)[O-])C2CCCCC2)C1,C40637192_decoy,ADA,Decoy,0,-7.89785,-5.53,-0.83,-5.346784414415953
C[NH+]1CCC[C@H](NC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)C1,C40716411_decoy,ADA,Decoy,0,-8.01967,-3.61,-0.98,-4.075820076071081
N#CCNC(=O)CS(=O)(=O)c1ccc(N)cc1,C42193147_decoy,ADA,Decoy,0,-7.08453,-5.48,-0.69,-5.3696232076848975
CC(C)(C)[C@H](NC(=O)N1CCC[NH2+]CC1)C(=O)[O-],C42420265_decoy,ADA,Decoy,0,-6.07096,-4.85,-0.24,-4.043478332098012
CC(C)(C)[C@@H](NC(=O)N1CCC[NH2+]CC1)C(=O)[O-],C42420277_decoy,ADA,Decoy,0,-6.76615,-3.4,0.12,-3.753364842770908
[NH3+][C@H]1CCCN(S(=O)(=O)c2ccsc2C(=O)[O-])C1,C42430241_decoy,ADA,Decoy,0,-7.65535,-6.63,-0.82,-7.5245425452059855
C[NH2+]CCCNC(=O)N1CCCC[C@H]1C(=O)[O-],C42430901_decoy,ADA,Decoy,0,-6.99315,-5.73,-0.81,-6.618993266854479
N/C(CCN(C(=O)[C@@H]1CCOC1)C1CC1)=N/O,C42547626_decoy,ADA,Decoy,0,-7.98623,-7.0,-0.57,-8.845772137215947
C[C@H](CN(C)C(=O)N1CCC[C@@H]([NH3+])C1)C(=O)[O-],C42709424_decoy,ADA,Decoy,0,-5.19985,-6.15,-0.13,-6.135346264061479
N/C(=N/O)c1ccc(C(=O)N2CCO[C@H]3CCC[C@H]32)cc1,C43428895_decoy,ADA,Decoy,0,-7.12012,-7.14,-0.65,-6.140080905502724
O=C(NCC(F)(F)F)c1ccc2[nH]c(=O)c(=O)[nH]c2c1,C44196979_decoy,ADA,Decoy,0,-5.10664,-7.77,-0.54,-6.425376399645321
C[NH+]1CCCC[C@@H]1CNC(=O)NC(C)(C)C(=O)[O-],C44565777_decoy,ADA,Decoy,0,-7.9365,-6.36,-0.38,-6.923381521331275
CC1CCC(NC(=O)NC[C@@H](C)[NH+](C)C)(C(=O)[O-])CC1,C45111964_decoy,ADA,Decoy,0,-8.58823,-7.02,-0.79,-9.759603843111345
CC(=O)N[C@H](C(=O)N1CCC(C(N)=O)CC1)C(C)C,C45352939_decoy,ADA,Decoy,0,-5.94223,-7.54,-0.69,-7.760973542320245
NS(=O)(=O)c1ccc(C(=O)NC2CC2)o1,C47932261_decoy,ADA,Decoy,0,-7.68398,-4.63,-0.13,-4.469865401318018
C[C@H](CO)NC(=O)N[C@@H]1CCS(=O)(=O)C1,C48542623_decoy,ADA,Decoy,0,-7.24025,-5.79,-1.33,-6.351985993599793
CC(=O)N1CCC(NC(=O)NC[C@@H](O)C(F)(F)F)CC1,C48741007_decoy,ADA,Decoy,0,-5.46942,-7.22,-0.47,-6.075573223367354
O=C(NC[C@H](O)C(F)(F)F)N[C@@H]1CCS(=O)(=O)C1,C48741776_decoy,ADA,Decoy,0,-5.41003,-5.35,-0.82,-3.92211277748694
[NH3+][C@H]1CCCN(C(=O)N2c3ccccc3C[C@H]2C(=O)[O-])C1,C48837337_decoy,ADA,Decoy,0,-5.61246,-4.31,-0.53,-3.0168530761893555
CN(C(=O)N[C@@](C)(C(=O)[O-])C1CC1)C1CC[NH2+]CC1,C48842024_decoy,ADA,Decoy,0,-7.59026,-5.06,-0.23,-5.060957797450187
C[C@@H]1CCC[C@](NC(=O)N[C@@H]2CC[NH+](C)C2)(C(=O)[O-])C1,C49090576_decoy,ADA,Decoy,0,-6.27295,-7.28,-0.28,-6.901260747701995
C[C@H](C[NH+]1CCCC1)NC(=O)N[C@@H](C)C(=O)[O-],C49187269_decoy,ADA,Decoy,0,-7.57091,-4.87,-0.7,-4.597852643685561
C[C@@H](C[NH+]1CCCC1)NC(=O)NC(C)(C)C(=O)[O-],C49187492_decoy,ADA,Decoy,0,-7.93648,-7.09,0.13,-7.929805588862437
CC[C@@H](NC(=O)N[C@H]1CCC[NH+](CC)C1)C(=O)[O-],C49227774_decoy,ADA,Decoy,0,-7.95754,-3.7,-2.26,-4.266591787044338
O=C(CNC(=O)C1CC1)N[C@H]1CCCNC1=O,C49500051_decoy,ADA,Decoy,0,-6.02115,-4.87,-1.02,-4.223307202896758
O=C(NCC[NH+]1CCCCC1)NC1(C(=O)[O-])CCCC1,C49575729_decoy,ADA,Decoy,0,-8.40898,-5.36,-0.71,-5.31867589227624
NNc1ccccc1S(=O)(=O)N1CC[S+]([O-])CC1,C49693030_decoy,ADA,Decoy,0,-8.8467,-7.13,-0.93,-7.61576671389644
[NH3+][C@@H]1CCN(C(=O)N2CCc3sccc3[C@@H]2C(=O)[O-])C1,C50244739_decoy,ADA,Decoy,0,-7.00596,-5.18,-0.54,-4.060828639098945
[NH3+][C@@H]1CCN(C(=O)N2CCC[C@H](CCC(=O)[O-])C2)C1,C50244743_decoy,ADA,Decoy,0,-6.71396,-6.66,-0.68,-6.136311363046934
C[C@H]1CC[C@H](C(N)=O)C[NH+]1C[C@@H]1CC[C@H](C(=O)[O-])O1,C51395581_decoy,ADA,Decoy,0,-7.33248,-7.11,-0.68,-6.0163343457230605
[NH3+][C@H]1CCCN(C(=O)N2CCC[C@H](CC(=O)[O-])C2)C1,C54304293_decoy,ADA,Decoy,0,-6.99253,-5.19,-1.17,-4.312108611992601
O=C[C@H](O)[C@@H](O)[C@H]1O[C@H](c2ccccc2)OC[C@H]1O,C32134179_decoy,ADA,Decoy,0,-7.57695,-6.0,-0.09,-4.508125130407042
O=C([O-])CS(=O)(=O)NC[C@H]1CCC[NH2+]C1,C44502385_decoy,ADA,Decoy,0,-6.15181,-3.86,-0.28,-3.594755543432907
[NH3+][C@H]1CCN(S(=O)(=O)CCCC(=O)[O-])C1,C50242025_decoy,ADA,Decoy,0,-6.45245,-6.01,-0.06,-10.154037726668404
C[C@]1(c2ccsc2)NC(=O)N(CCC(N)=O)C1=O,C60346674_decoy,ADA,Decoy,0,-6.75019,-7.03,0.53,-13.19190144372195
CCN(C(=O)N1CCC[C@H]([NH3+])C1)[C@@H](C)CC(=O)[O-],C61213866_decoy,ADA,Decoy,0,-4.1591,-6.81,-0.67,-5.800438991202435
NC(=S)[C@@H]1CCC[C@H]1NS(=O)(=O)N1CCOCC1,C61887296_decoy,ADA,Decoy,0,-8.83169,-6.62,-0.0,-7.751435724037804
C[C@@]1(C(=O)[O-])CCCN(C(=O)N2CC[C@H](C[NH3+])C2)C1,C62876333_decoy,ADA,Decoy,0,-6.07224,-7.14,-0.2,-6.396775785396917
C[C@]1(C(=O)[O-])CCCN(C(=O)N2CC[C@@H](C[NH3+])C2)C1,C62876334_decoy,ADA,Decoy,0,-6.11086,-7.51,-0.68,-7.246530735991261
C[C@@]1(C(=O)[O-])CCN(C(=O)N2CCC[C@@H]([NH3+])C2)C1,C62926048_decoy,ADA,Decoy,0,-6.0748,-4.17,0.29,-3.1990802917346306
NS(=O)(=O)c1ccc(CNC(=O)C[C@H]2C[C@H]3CC[C@@H]2C3)cc1,C15614409_decoy,ADA,Decoy,0,-8.65477,-6.83,-0.69,-5.337868062767714
C[C@@H](CNS(=O)(=O)c1ccc(Br)cc1)ON,C32211215_decoy,ADA,Decoy,0,-10.2958,-6.64,-0.58,-8.315893872991118
C/C=C/C=C/C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1,C33026664_decoy,ADA,Decoy,0,-8.75339,-7.51,-0.83,-6.80171327664865
CNS(=O)(=O)c1ccc(OCC(F)(F)C(F)F)c(N)c1,C35340319_decoy,ADA,Decoy,0,-6.03655,-7.12,-0.82,-10.159331812568954
CCc1ccc(N)cc1S(=O)(=O)N1CCCC[C@H]1CCO,C37053564_decoy,ADA,Decoy,0,-7.38182,-6.69,-2.05,-6.782831009392488
C[C@H](NCCc1ccco1)c1ccc(S(N)(=O)=O)cc1,C37258923_decoy,ADA,Decoy,0,-7.91746,-7.03,-0.07,-6.639402783533463
CN(C)S(=O)(=O)c1ccc(NCc2ccc(N)cc2)cc1,C37671056_decoy,ADA,Decoy,0,-9.48728,-6.92,-0.65,-6.348972984700311
CC(C)C[C@@H](C)N(C)C(=O)CNC(=O)c1ccc(N)cc1,C37807285_decoy,ADA,Decoy,0,-6.39999,-5.9,-0.42,-4.9883198823546095
NC(=S)N/N=C/c1sc(=O)n(CCCl)c1Cl,C39767812_decoy,ADA,Decoy,0,-8.37616,-5.25,-0.33,-6.288515449055032
CN(CC(=O)NCC(F)(F)F)C(=O)c1ccc(Cl)cc1N,C40327581_decoy,ADA,Decoy,0,-6.06356,-7.47,-0.97,-6.8431725831541765
Cc1ccc(N)c(S(=O)(=O)NCC[C@@H]2CCCO2)c1C,C40348634_decoy,ADA,Decoy,0,-7.72086,-8.06,-1.79,-7.697135038156753
CCC(CC)(NS(=O)(=O)N1CCCCCC1)C(N)=S,C40364814_decoy,ADA,Decoy,0,-8.00919,-5.97,-0.73,-7.353070795807513
CC(C)C[C@@H](CO)NC(=O)c1ccc2c(c1)NC(=O)CS2,C40791871_decoy,ADA,Decoy,0,-8.36243,-6.37,-0.62,-6.673987053662916
CC[C@@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(N)c(F)cc1F,C41101079_decoy,ADA,Decoy,0,-5.92228,-7.09,-1.32,-7.0847726765903065
CCN(CC/C(N)=N/O)C(=O)c1cc(Cl)ccc1Cl,C42453887_decoy,ADA,Decoy,0,-9.56242,-7.88,-0.25,-8.332367060433107
C[C@@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccco1,C42477327_decoy,ADA,Decoy,0,-8.27423,-7.58,-1.32,-8.684612919728465
NC(=S)c1ccc(S(=O)(=O)NC[C@H]2CCCCO2)cc1,C42824670_decoy,ADA,Decoy,0,-9.24022,-5.49,-2.99,-5.115304413128642
COC(=O)c1sccc1NC(=O)[C@H](C(N)=S)C(C)C,C44834479_decoy,ADA,Decoy,0,-8.5899,-5.8,-0.17,-7.378573653392803
O=C(NCCNC(=O)c1cccs1)NCC1CCCC1,C46925627_decoy,ADA,Decoy,0,-7.95322,-6.79,-0.12,-7.844128845598727
CCSCCC(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1,C48792129_decoy,ADA,Decoy,0,-6.96852,-6.39,-0.42,-5.820030530495374
CCCSCC(=O)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1,C48792136_decoy,ADA,Decoy,0,-6.4376,-6.48,-0.28,-5.351147100701103
O=C(CCNC(=O)c1cc(Br)c[nH]1)NC1CCCC1,C48944131_decoy,ADA,Decoy,0,-7.34132,-5.58,-0.76,-5.433989366980024
CC(C)N(C)S(=O)(=O)Nc1ccc(N)cc1C(F)(F)F,C49042148_decoy,ADA,Decoy,0,-6.06972,-6.85,-1.3,-6.111587998571223
CC(C)N(C)S(=O)(=O)NC1(C(N)=S)CCCCCC1,C49042558_decoy,ADA,Decoy,0,-8.18573,-6.61,-0.47,-7.51654915658746
CC(C)(C)c1ncc(C(=O)NNC(=S)NC2CC2)s1,C49045698_decoy,ADA,Decoy,0,-8.28879,-5.42,-0.73,-5.861372741067598
Nc1cc(F)c(F)cc1C(=O)OCC(=O)NCC(F)(F)F,C50036673_decoy,ADA,Decoy,0,-4.69242,-6.01,-0.7,-4.129732441382934
COCc1ccccc1NS(=O)(=O)Cc1ccccc1N,C50102835_decoy,ADA,Decoy,0,-7.17711,-7.21,-1.2,-6.708704552876434
CCNC(=O)CNC(=O)c1ccc(NC)c(C(F)(F)F)c1,C50751294_decoy,ADA,Decoy,0,-6.51834,-7.27,-1.31,-6.511068253992685
CNc1ccc(C(=O)NCc2cn[nH]c2)cc1C(F)(F)F,C50790388_decoy,ADA,Decoy,0,-5.72176,-7.73,-2.07,-6.038327408443552
CC(C)N(Cc1nc(NN)c2ccsc2n1)CC(F)(F)F,C51144716_decoy,ADA,Decoy,0,-10.0287,-7.6,-0.5,-8.791116777743024
N#CCc1ccc(NS(=O)(=O)Cc2ccc(N)cc2)cc1,C51601006_decoy,ADA,Decoy,0,-8.41496,-6.15,-0.57,-5.705723180424936
CC1CCC(CO)(NC(=O)[C@@H](C)NC(=O)C(C)(C)C)CC1,C53103600_decoy,ADA,Decoy,0,-8.20968,-7.7,-0.24,-8.333347079267122
CC[C@@H](Nc1ccc(CS(N)(=O)=O)cc1)c1ccco1,C54105716_decoy,ADA,Decoy,0,-9.23732,-7.28,-2.38,-9.13894458227176
O=C(CNC(=O)NC1CC1)NCC1(c2ccccc2)CCC1,C54364605_decoy,ADA,Decoy,0,-7.05749,-6.44,-0.85,-5.987191436001692
CC(=O)N[C@H](CC(=O)NNc1ccc(F)cc1)c1cccs1,C54567845_decoy,ADA,Decoy,0,-6.30701,-7.62,-0.14,-7.501736516780366
NS(=O)(=O)c1ccc(N/C=C/C(=O)c2ccccc2)cc1,C00296023_decoy,ADA,Decoy,0,-7.97937,-5.98,-2.0,-4.919117733291785
CCC1(CC)Oc2ccc(O)cc2N(CCC(N)=S)C1=O,C58006322_decoy,ADA,Decoy,0,-9.54969,-6.25,-0.44,-6.987198089208337
C[C@@H](NC(=O)NCCNC(=O)C1CC1)c1ccc(F)cc1F,C47924009_decoy,ADA,Decoy,0,-6.65511,-8.21,-1.51,-7.755012857937603
CCN(C[C@@H]1CCCO1)c1ccc(/C(N)=N/O)c(Cl)c1,C61855941_decoy,ADA,Decoy,0,-9.78887,-8.24,0.04,-10.50090579424336
COc1cccc(C(=O)N[C@@H]2CCC[C@H]2C(N)=S)c1OC,C61885038_decoy,ADA,Decoy,0,-7.86611,-7.35,-0.85,-7.704812364349995
CC1=C(C(=O)[O-])[C@@H](c2ccccc2C)[NH+]=C(SCCCO)N1,C62398676_decoy,ADA,Decoy,0,-7.27749,-6.32,-2.19,-6.101565628649236
Cc1ccc(-c2nc(CC[NH+](C)C)sc2C(=O)[O-])cc1N,C62493380_decoy,ADA,Decoy,0,-8.04606,-8.23,-0.26,-8.46574662664263
CC[C@@]1(C(=O)N[C@H](CC(=O)[O-])c2cccs2)CCC[NH2+]C1,C62855735_decoy,ADA,Decoy,0,-8.51792,-7.3,-0.41,-9.635564975703003
CC[C@@]1(C(=O)N[C@@H](CC(=O)[O-])c2cccs2)CC[NH2+]C1,C62893472_decoy,ADA,Decoy,0,-7.93721,-7.09,-0.74,-8.072286809827013
Nc1cc(S(=O)(=O)NCCc2nccs2)ccc1Cl,C63132736_decoy,ADA,Decoy,0,-7.74484,-5.85,-1.19,-5.0938423186969
O=C(CNC(=O)N[C@H]1C[C@H]1c1cccc(F)c1)NC1CC1,C63352713_decoy,ADA,Decoy,0,-6.5464,-7.23,-0.61,-5.982930784177606
CSCC[C@H](NC(N)=O)C(=O)N1CC[C@H](c2ccccc2)C1,C58368511_decoy,ADA,Decoy,0,-9.73058,-7.97,-1.34,-11.049367604431138
C#CCNC(=O)CCNC(=O)N[C@@H]1CCCC[C@H]1C(F)(F)F,C64754048_decoy,ADA,Decoy,0,-6.26274,-5.7,-1.08,-5.05958261564255
Cc1cc(C)c2c(c1)N(C(=O)CCCCNC(N)=O)CCC2,C66733024_decoy,ADA,Decoy,0,-8.36429,-8.15,-1.5,-8.579664833348746
O=C(NCC(F)(F)F)NNC(=O)[C@H]1C[C@@H]1c1cccc(F)c1,C67648080_decoy,ADA,Decoy,0,-5.91315,-8.87,-1.06,-7.120831875629277
C[C@H]([NH2+][C@@H](C)C12CC3CC(CC(C3)C1)C2)C(=O)NC(N)=O,C07091490_decoy,ADA,Decoy,0,-9.30251,-8.62,-1.03,-8.771593657839254
CC[C@@]1(C)Cc2c(sc3c2/C(=[NH+]/N)N[C@@H](SC)N3)CO1,C05908343_decoy,ADA,Decoy,0,-10.458,-5.83,-1.02,-6.537363874665716
[NH3+][C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccccc1Cl,C20023358_decoy,ADA,Decoy,0,-8.02819,-8.22,-0.83,-5.9366760395782645
CC(C)[NH+]1CCc2c(sc3c2C(O)=N[C@@H](c2ccc(O)cc2O)N3)C1,C22635111_decoy,ADA,Decoy,0,-10.3066,-8.15,-0.45,-7.351372249763355
CC(C)Oc1cccc(O)c1-c1cc([C@H]2CCC[NH2+]C2)c(C#N)c(N)n1,C28338784_decoy,ADA,Decoy,0,-9.34743,-7.81,0.01,-8.924207315068744
N#Cc1c([C@@H]2CCC[NH2+]C2)cc(-c2ccccc2O)nc1N,C28347167_decoy,ADA,Decoy,0,-8.6416,-5.18,-0.67,-4.359894470502773
[NH3+][C@@H](c1ccc2c(c1)NC(=O)CC(=O)N2)c1ccc(Br)s1,C35381103_decoy,ADA,Decoy,0,-9.33059,-7.72,-0.83,-6.278485908166119
Cc1n[nH]c(C)c1S(=O)(=O)NCC1([NH3+])CCCCCC1,C36266790_decoy,ADA,Decoy,0,-8.86382,-7.98,-0.14,-8.415343706094315
NC(=O)[C@@H]1CCCN(c2c(N)c[nH+]c3ccc(Br)cc23)C1,C36812927_decoy,ADA,Decoy,0,-8.06695,-7.68,0.46,-6.171684526284266
C[C@@H]1C[NH+](C)[C@@H](C)C[C@@H]1Nc1cccc(NS(N)(=O)=O)c1,C37130901_decoy,ADA,Decoy,0,-10.4332,-8.77,-2.11,-8.43966069220621
NC(=O)[C@@H]1CCCN(c2ccc(C[NH3+])c(C(F)(F)F)c2)C1,C37306596_decoy,ADA,Decoy,0,-6.9591,-8.29,-0.52,-6.728315051212117
CCC[C@@](C)([NH3+])C(=O)Nc1ccc(N2CCNC2=O)cc1,C37622423_decoy,ADA,Decoy,0,-7.73537,-7.56,-0.44,-7.207755835358482
[NH3+]CC(=O)NCC(=O)Nc1ccc(Br)cc1Cl,C37626112_decoy,ADA,Decoy,0,-7.16407,-6.5,-0.63,-6.628445866298153
NC(=O)C[C@@H]([NH3+])C(=O)N(Cc1ccc(Cl)c(Cl)c1)C1CC1,C37817617_decoy,ADA,Decoy,0,-9.3447,-6.61,-0.42,-7.8086887280362
CCNS(=O)(=O)c1ccc(N[C@H]2CCCC[C@H]2[NH3+])cc1,C38050929_decoy,ADA,Decoy,0,-7.83605,-7.22,-0.63,-6.71965359947563
N#CC(/C=C1\Nc2ccccc2C1=O)=C(\[NH3+])NC1CCCCC1,C17299580_decoy,ADA,Decoy,0,-11.49,-9.73,-0.46,-9.76999881010029
CSc1nc2c(c(=O)[nH]1)[C@@H](c1ccc(Cl)cc1)C(C#N)=C([NH3+])N2,C08382921_decoy,ADA,Decoy,0,-12.318,-7.95,-0.21,-10.798443145360626
CCc1ccc([C@@H](CNO)N2CC[NH2+][C@H](c3ccccc3O)C2)cc1,C39532109_decoy,ADA,Decoy,0,-11.1505,-8.85,-1.3,-9.957985104719478
CSNC[C@@H](c1ccc(-c2ccccc2O)cc1)N1CC[NH2+][C@H](c2ccccc2O)C1,C39533963_decoy,ADA,Decoy,0,-12.342,-9.45,-1.25,-10.397788900749282
[NH3+][C@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl,C40173949_decoy,ADA,Decoy,0,-9.0597,-7.03,-0.66,-6.089206119061672
C[NH+]1CCC(NC(=O)CCC2CCCC2)(/C(N)=N/O)CC1,C40371503_decoy,ADA,Decoy,0,-8.87422,-8.23,-0.23,-8.946851668408641
CCC(CC)[NH+](CCO)Cc1ccc(/C(N)=N/O)cc1F,C42507562_decoy,ADA,Decoy,0,-9.49394,-7.78,-0.97,-14.669502900873889
CC1(C)CC(NC(=O)NNc2c(F)c(F)c(F)c(F)c2F)CC(C)(C)[NH2+]1,C42910944_decoy,ADA,Decoy,0,-6.18368,-7.5,-0.64,-5.220512666823726
NC(=O)CN(C1CCCC1)[C@@H](C[NH3+])c1ccccc1Br,C43093212_decoy,ADA,Decoy,0,-8.78644,-8.05,-2.12,-8.662557356065713
CC[C@H]([NH3+])[C@H](c1ccc(C)s1)N1CCC[C@H](C(N)=O)C1,C43239076_decoy,ADA,Decoy,0,-8.64765,-6.55,-0.37,-7.574840629618285
CC[C@H]([NH3+])[C@@H](c1ccc(Cl)s1)N1CCC[C@H](C(N)=O)C1,C43251895_decoy,ADA,Decoy,0,-8.59191,-7.1,-0.41,-7.456104917848945
CC[C@H](N)[C@H](c1ccc(Cl)s1)[NH+]1CCC[C@@H]1C(N)=O,C43252235_decoy,ADA,Decoy,0,-9.53139,-6.24,-0.64,-7.707351788570609
CC[C@H]([NH3+])[C@H](c1cc(Br)cs1)N1CCC(CC(N)=O)CC1,C43287257_decoy,ADA,Decoy,0,-10.0489,-7.25,-1.98,-9.974636905978636
N/C(=N/O)C1(C(=O)N[C@@H]2C[NH+]3CCC2CC3)CCCCC1,C44784411_decoy,ADA,Decoy,0,-10.0027,-8.71,0.12,-11.138905823702745
CC(C)[C@H](C[NH+](C)C)NC(=O)C1(/C(N)=N/O)CCCCC1,C44786228_decoy,ADA,Decoy,0,-9.53115,-6.79,0.11,-9.447769684584255
C[C@@H](CC[NH+](C)C)NC(=O)C1(/C(N)=N/O)CCCCCC1,C44786406_decoy,ADA,Decoy,0,-9.24738,-7.54,-0.43,-8.95418538120712
Cc1ccc(O)c2c1[C@@H](C)C[C@H]2[NH2+]CCCS(N)(=O)=O,C45066825_decoy,ADA,Decoy,0,-10.1835,-7.06,-1.38,-8.046574479160467
CC(C)[NH+]1CC[C@@H](CNC(=O)C2(/C(N)=N/O)CCCC2)C1,C45140564_decoy,ADA,Decoy,0,-9.56381,-7.88,-1.15,-8.80649286265448
CNC(=O)c1cc(NC(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)ccc1Cl,C47813579_decoy,ADA,Decoy,0,-8.87396,-6.13,-1.51,-5.88175091195006
[NH3+][C@H](c1ccc(Cl)cc1)c1cc2[nH]c(=O)[nH]c2cc1Br,C52094364_decoy,ADA,Decoy,0,-7.93332,-7.55,-0.03,-5.632031762540736
[NH3+][C@@H](c1ccc(Br)cc1)c1cc2[nH]c(=O)[nH]c2cc1Br,C52094371_decoy,ADA,Decoy,0,-9.19646,-8.06,0.23,-2.128348457843768
O=c1[nH]c2cc(Br)c([C@@H](O)C3CC[NH2+]CC3)cc2[nH]1,C52094772_decoy,ADA,Decoy,0,-8.3403,-7.98,0.05,-6.200181087050907
Nc1c(-c2c(F)cccc2Cl)[nH+]c(C2CCCC2)n1N,C52839541_decoy,ADA,Decoy,0,-8.3026,-7.9,-0.65,-6.874703004928829
CC(C)(C)c1[nH+]c(-c2ccccc2C(F)(F)F)c(N)n1N,C52839690_decoy,ADA,Decoy,0,-6.12448,-8.01,-0.31,-7.59425255483909
COc1cc(Br)c(-c2[nH+]c(C(C)C)n(N)c2N)cc1OC,C52839894_decoy,ADA,Decoy,0,-8.9205,-7.92,-0.52,-8.155444155839486
[NH3+]c1cc2c(cc1NCc1ccc(Cl)cc1)NC(=O)CC2,C57464976_decoy,ADA,Decoy,0,-8.4144,-8.31,-0.35,-7.487075762681454
Nc1[nH+]c(-c2ccccc2)cn1/N=C/c1cc(O)c(O)c(Cl)c1,C07675017_decoy,ADA,Decoy,0,-10.8986,-7.89,-0.0,-6.745387817621277
Nc1ccc(NC(=O)Nc2cc(Cl)ccc2Cl)c[nH+]1,C61680619_decoy,ADA,Decoy,0,-10.6746,-7.58,-0.2,-8.298005218720208
NC(=O)c1ccc(Cl)cc1N1C[C@H]2CC[C@H]([NH3+])C[C@H]2C1,C62785749_decoy,ADA,Decoy,0,-8.81403,-8.53,0.45,-14.578992593368582
CCC[C@]1(C(=O)Nc2cc(C(N)=O)ccc2F)CC[NH2+]C1,C62892665_decoy,ADA,Decoy,0,-6.97461,-7.83,-2.36,-7.045862713545112
C[C@@]1(C(=O)Nc2cc3[nH]c(=O)[nH]c3cc2Br)CC[NH2+]C1,C62893212_decoy,ADA,Decoy,0,-8.28382,-7.74,-0.35,-8.323503253481878
[NH3+][C@@H]1CCCCC[C@@H]1NC(=O)c1cc(Cl)c(Cl)[nH]1,C63211073_decoy,ADA,Decoy,0,-8.38412,-4.89,0.38,-4.456650910829339
C[C@@H]1[NH+]=c2ccccc2=C1C(=O)[C@H](C)Sc1nc(N)cc(N)n1,C39996962_decoy,ADA,Decoy,0,-7.31852,-8.98,-0.66,-8.888671649916304
CC(C)[C@@H](CN/C(N)=[NH+]/C[C@@H]1CCCO1)Nc1ccccc1,C66243467_decoy,ADA,Decoy,0,-8.99035,-7.86,-1.41,-8.40929435028595
NC(=O)Nc1ccc(NC(=O)c2ccc(C[NH+]3CCCC3)cc2)cc1,C66782190_decoy,ADA,Decoy,0,-9.25909,-7.79,-0.45,-6.974960106820109
CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@@H](Cc1ccccc1)C(=O)CCl,C05179496_decoy,ADA,Decoy,0,-9.15546,-7.7,-2.99,-8.914578254395462
CC(C)C[C@H](NC(=O)CNC(=O)OCc1ccccc1)C(=O)N[C@H](Cc1ccccc1)C(=O)CCl,C05179499_decoy,ADA,Decoy,0,-9.22867,-8.76,-1.76,-8.348189380488344
CC(C)NS(=O)(=O)c1cccc2c(NC(=O)[C@H](NOC(=O)Cc3ccccc3)C(C)C)cccc12,C00995514_decoy,ADA,Decoy,0,-9.39664,-10.3,-2.53,-14.098343487485318
CCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OCC(=O)Nc2ccccc2OC)c(OCC)c1,C00679509_decoy,ADA,Decoy,0,-9.77509,-7.13,-1.6,-8.03017938072902
CC(=O)Nc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCCCN(C)c3ccccc3)CC2)cc1,C08813606_decoy,ADA,Decoy,0,-10.4292,-8.98,-2.2,-8.091775410138057
Cc1ccccc1NC(=O)COc1ccccc1/C=N/NC(=O)C(=O)NCCCOC(C)C,C09233088_decoy,ADA,Decoy,0,-8.38384,-9.61,-1.82,-9.765438216286494
CC(C)CCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)NC[C@@H]2CCCO2)cc1,C09269584_decoy,ADA,Decoy,0,-10.5074,-8.74,-2.55,-9.358110014316656
C=CCNC(=O)NC(=O)COC(=O)c1ccc(CNS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1,C09437798_decoy,ADA,Decoy,0,-10.1637,-7.58,-1.94,-7.479706428089633
CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1Br,C09826232_decoy,ADA,Decoy,0,-10.1563,-8.49,-1.66,-13.570885233333804
CCOC(=O)C1=C(COC(=O)[C@@H](NC(=O)c2cccc(C)c2)C(C)C)NC(=O)N[C@@H]1c1ccccc1,C10303828_decoy,ADA,Decoy,0,-8.65319,-8.95,-1.59,-12.443401906730337
C=CCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1OCCc1ccccc1,C10510056_decoy,ADA,Decoy,0,-10.3928,-7.85,-1.94,-10.838620861525058
O=C(COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccccc1)Nc1ccccc1C(=O)NC1CC1,C10588747_decoy,ADA,Decoy,0,-8.21494,-6.35,-2.12,-5.591567204982352
CCOC(=O)Nc1cccc(C(=O)OCC(=O)Nc2ccccc2C(=O)NCC(C)C)c1,C10697515_decoy,ADA,Decoy,0,-8.09791,-6.97,-0.68,-7.259276432570077
C=CCNc1nnc(SCC(=O)Nc2sc(C(=O)NC)c(C)c2C(=O)OCC)s1,C11394243_decoy,ADA,Decoy,0,-9.41441,-6.86,-1.36,-7.602561151386204
CC(C)CN(CC(C)C)C(=O)CN(Cc1ccco1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C12947846_decoy,ADA,Decoy,0,-8.38827,-6.82,-1.71,-7.0638455351373
COCCN(C(=O)CCCC(=O)Nc1ccccn1)[C@H](C(=O)NC1CCCC1)c1ccc(O)cc1,C13027647_decoy,ADA,Decoy,0,-9.38184,-7.72,-2.55,-9.499512347325345
CCOC(=O)[C@@](NC(C)=O)(Nc1cc([C@](O)(C(=O)OCC)C(F)(F)F)ccc1C)C(F)(F)F,C08934585_decoy,ADA,Decoy,0,-6.25754,-7.42,-1.08,-6.361449078161229
COCCCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccccc1OCCOc1ccccc1,C10122614_decoy,ADA,Decoy,0,-10.0385,-7.8,-1.6,-9.8708892829957
CC[C@H](C)c1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)cc1,C13983649_decoy,ADA,Decoy,0,-9.8136,-7.94,-1.13,-12.062063523837583
CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)c2ccc(C(C)(C)C)cc2)cc1,C14027550_decoy,ADA,Decoy,0,-10.1805,-8.25,-1.51,-9.03219963255848
CCOc1cc(C(=O)NNC(=O)CCCNC(=O)c2ccc(F)cc2F)cc(OCC)c1OCC,C14074990_decoy,ADA,Decoy,0,-7.29071,-8.4,-2.14,-7.25307203324201
COc1cc(NC(=S)/N=C(\NCc2ccccc2OC)Nc2nc(C)cc(C)n2)cc(OC)c1,C14156167_decoy,ADA,Decoy,0,-9.89485,-6.22,-3.23,-6.425355219974452
COCCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1Br,C14662136_decoy,ADA,Decoy,0,-9.87134,-8.75,-0.99,-7.698433898345713
O=C(NCCCn1ccnc1)c1cc(NCc2ccsc2)cc(S(=O)(=O)Nc2ccccc2)c1,C14746287_decoy,ADA,Decoy,0,-10.3632,-7.83,-2.25,-9.448280821741715
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)c2ccc(CCNS(C)(=O)=O)s2)cc1,C18071856_decoy,ADA,Decoy,0,-9.40546,-8.54,-0.48,-9.489305097923884
Cc1cccc(O[C@H](C)C(=O)NNC(=O)CCCCCNC2=NS(=O)(=O)c3ccccc32)c1C,C18103167_decoy,ADA,Decoy,0,-7.89252,-9.39,-2.52,-7.714119608715745
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)OCC(=O)NC(=O)NCC(F)(F)F)cc1,C18531529_decoy,ADA,Decoy,0,-7.15847,-8.01,-2.26,-7.719500039181313
CCOc1cc(NC(=S)NCCCN2CCOCC2)c(OCC)cc1NC(=O)c1ccccc1F,C20082035_decoy,ADA,Decoy,0,-11.6766,-7.39,-1.83,-9.769444468074932
CCOc1cc(/C=C/C(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)ccc1OC(F)F,C21285736_decoy,ADA,Decoy,0,-8.80216,-7.93,-1.78,-7.697433287833447
CCOc1ccc(S(=O)(=O)NCCNC(=O)c2ccc(NC(=O)C3CC3)cc2)c(OCC)c1,C21683022_decoy,ADA,Decoy,0,-8.39649,-9.1,-1.85,-8.295459872407543
CC(C)[C@H](NS(=O)(=O)c1cccc(Cl)c1)C(=O)OCC(=O)N(CCC(N)=O)c1ccccc1,C21760884_decoy,ADA,Decoy,0,-10.2874,-9.41,-2.07,-11.40478508083347
C=CCOC(=O)[C@H]1O[C@@H](OC(=O)C(C)(C)CCCOc2cc(C)ccc2C)[C@@H](O)[C@H](O)[C@@H]1O,C22059919_decoy,ADA,Decoy,0,-8.70019,-9.19,-1.22,-8.985748625819857
CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1cc(NC(C)=O)ccc1C,C24839011_decoy,ADA,Decoy,0,-9.25034,-8.12,-2.01,-8.997974171304717
O=C(CCc1nc2cc(Cl)ccc2n(Cc2ccccc2)c1=O)NNC(=S)NCCN1CCOCC1,C14361242_decoy,ADA,Decoy,0,-10.2651,-8.21,-2.97,-11.148323581328537
CCCNC(=O)CSc1nnc(SCC(=O)C(C(=O)OC)=C2Nc3ccccc3N2)s1,C26164462_decoy,ADA,Decoy,0,-9.23995,-6.31,-1.2,-6.931941192759344
COc1cc(/C=C/C(=O)O[C@@H](C)C(=O)N[C@H](C)c2ccc(Cl)cc2Cl)ccc1OCC(N)=O,C26488816_decoy,ADA,Decoy,0,-10.4404,-8.83,-1.49,-9.259588804991049
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(OCC(N)=O)cc1,C33751865_decoy,ADA,Decoy,0,-9.22666,-7.44,-0.86,-8.355443957923043
CCOC(=O)CNC(=O)N[C@@H](Cc1ccccc1)C(=O)Nc1ccccc1Cc1ccccc1,C34931765_decoy,ADA,Decoy,0,-10.2324,-9.82,-2.72,-13.226593708792016
CCCCNC(=O)Nc1ccc([C@@H]2NC(=O)N(CCC)C(C)=C2C(=O)OCCOC)cc1,C35711537_decoy,ADA,Decoy,0,-9.01978,-5.21,-0.82,-6.823418443855132
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCC)C(=O)c1c(O)cccc1O,C36571040_decoy,ADA,Decoy,0,-7.56081,-9.27,-2.42,-9.201576612066717
COc1cc([C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)CNC(=O)c2ccccc2)C(C)(C)C)ccc1O,C36591314_decoy,ADA,Decoy,0,-6.63675,-6.94,-2.74,-5.447382095161274
CC(C)CNC(=O)c1ccccc1NC(=O)COC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C,C39194999_decoy,ADA,Decoy,0,-7.29775,-8.41,-3.67,-7.433526765923346
CCOCC(=O)N[C@H]1CN(CC(C)C)c2ccccc2N(CC(=O)NCCc2ccc(O)cc2)C1=O,C39225746_decoy,ADA,Decoy,0,-9.10749,-6.93,-1.15,-6.7636249654732845
O=C([O-])CCCCCNC(=O)C[C@@H]1S/C(=N/N=C/C2=c3ccccc3=[NH+][C@H]2c2ccccc2)NC1=O,C39357608_decoy,ADA,Decoy,0,-10.0425,-7.32,-1.51,-12.380077268201928
CCOC(=O)[C@@H]1C(CC)=C(C)S[C@@H]1NC(=O)CSc1nc(C)c(CCC(=O)O)c(=O)[nH]1,C39667898_decoy,ADA,Decoy,0,-11.118,-6.29,-1.15,-7.6042807463733375
C=CCn1c(COc2ccc(C(C)(C)C)cc2)nnc1SCC(=O)Nc1sc(C(N)=O)c(C)c1C#N,C39967463_decoy,ADA,Decoy,0,-10.0549,-8.33,-2.54,-8.690608102871735
COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCCCNc2ccc(C(F)(F)F)cn2)C(C)C)c1,C46814933_decoy,ADA,Decoy,0,-8.00817,-8.44,-1.7,-7.121575353816819
O=C(/C=C/c1ccccc1)NCC(=O)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1,C59412109_decoy,ADA,Decoy,0,-9.39531,-8.62,-0.91,-9.120633432434731
C=CCOC(=O)[C@@H]1O[C@@H](OC(=O)C(C)(C)CCCOc2cc(C)ccc2C)[C@@H](O)[C@@H](O)[C@@H]1O,C65742748_decoy,ADA,Decoy,0,-6.93938,-8.81,-1.36,-8.75116438429814
CCCCOC(=O)C[C@@H]1C(=O)NCCN1CC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1,C66228394_decoy,ADA,Decoy,0,-9.31626,-8.97,-1.52,-8.251287992388432
Cc1cc(N(CCC#N)CCC#N)ccc1/C=C(/NC(=O)/C=C\c1ccccc1)C(N)=O,C05732801_decoy,ADA,Decoy,0,-10.0643,-9.56,-2.19,-8.369133824913952
CCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)Nc3cccc(C(F)(F)F)c3)cc2c1=O,C06181391_decoy,ADA,Decoy,0,-9.84735,-7.96,-1.13,-8.515288100369412
CN(C)c1ccc([C@H](CNC(=O)C(=O)NCCc2ccc(O)cc2)S(=O)(=O)c2cccs2)cc1,C09079732_decoy,ADA,Decoy,0,-10.5062,-8.42,-1.96,-9.432726086784545
C=CCNC(=O)NC(=O)COC(=O)c1ccccc1SCC(=O)NC12CC3CC(CC(C3)C1)C2,C09350943_decoy,ADA,Decoy,0,-9.54649,-9.34,-3.49,-8.83873481500086
CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NCC(=O)Nc1c(C)cccc1C,C09643280_decoy,ADA,Decoy,0,-9.80688,-8.2,-2.76,-9.220497465200069
Cc1cc(C)c(NC(=O)CNC(=O)COC(=O)CNC(=O)c2ccc(-c3ccccc3)cc2)c(C)c1,C10611024_decoy,ADA,Decoy,0,-7.82548,-9.85,-0.77,-9.621450464885935
CCOC(=O)/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1Br,C12501368_decoy,ADA,Decoy,0,-10.4839,-7.74,-1.34,-14.544355825900988
COc1ccc(CCNC(=S)N(CCCO)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC,C06410169_decoy,ADA,Decoy,0,-11.9866,-8.67,-2.32,-9.786532093048352
CC[NH+](CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)c(C(=O)[O-])c2)cc1,C13246426_decoy,ADA,Decoy,0,-8.51608,-6.75,-1.61,-6.800963060325304
COCCOc1ccccc1C(=O)NC(=S)Nc1cccc(NC(=O)C(C)(C)C)c1,C13613886_decoy,ADA,Decoy,0,-9.78787,-8.92,-1.27,-11.844825588083912
CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NC[C@H]3CCCO3)cc2)cc1Br,C13617022_decoy,ADA,Decoy,0,-10.7329,-8.55,-0.7,-10.998203675487114
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(Cl)cc2Cl)cc1OC,C13977359_decoy,ADA,Decoy,0,-11.0422,-8.46,-1.13,-9.89860374139351
CCCCOc1ccccc1C(=O)NC(=S)Nc1ccc(S(=O)(=O)NC(C)=O)cc1,C14032187_decoy,ADA,Decoy,0,-10.3078,-7.97,-0.83,-8.993775133653221
O=C(CCNC(=O)c1ccc(F)cc1F)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-],C15033855_decoy,ADA,Decoy,0,-5.78409,-8.64,-0.66,-7.415447357167873
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCNC(=O)c2ccc(Br)cc2)cc1,C15354832_decoy,ADA,Decoy,0,-9.25325,-8.86,0.12,-9.4860992060578
Cc1ccccc1OCCC(=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1,C15846567_decoy,ADA,Decoy,0,-9.74485,-9.64,-1.55,-10.338968242506027
NC(=O)CCN(C(=O)COC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1ccc(F)cc1,C16758442_decoy,ADA,Decoy,0,-9.82362,-8.48,-1.45,-8.209904496635339
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NNC(=O)COc1ccccc1-c1ccccc1,C17202260_decoy,ADA,Decoy,0,-9.22047,-9.7,-2.1,-9.836785866812171
O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)NNC(=O)COc1ccccc1-c1ccccc1,C17202273_decoy,ADA,Decoy,0,-8.54639,-9.93,-0.62,-12.639695788637685
CSCC[C@H](NS(=O)(=O)/C=C/c1ccccc1)C(=O)NNC(=O)c1oc2ccccc2c1C,C17448073_decoy,ADA,Decoy,0,-10.1531,-8.21,-0.71,-9.8198598196631
CSCC[C@H](NS(=O)(=O)c1ccccc1F)C(=O)NCC(=O)Nc1c(C)cccc1C,C17854673_decoy,ADA,Decoy,0,-9.29114,-8.65,-1.62,-10.0715222843864
CC(C)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)OCC(=O)NNC(=O)c1ccccc1,C18343402_decoy,ADA,Decoy,0,-9.0686,-9.61,-3.06,-9.702119106841211
CC[C@H]1CCCC[NH+]1CCNC(=O)CCCCn1c([O-])c2[nH]c3ccc(OC)cc3c2nc1=S,C20331491_decoy,ADA,Decoy,0,-9.83248,-8.27,-1.48,-9.177719251105326
O=C(CNC(=O)c1ccccc1)NCC1CCC(C(=O)NCCCN2CCOCC2)CC1,C20622622_decoy,ADA,Decoy,0,-9.52276,-8.22,-3.45,-7.88869504241709
COCCOC(=O)c1c(NC(=O)COc2ccc(Br)cc2F)sc(C(N)=O)c1C,C20925519_decoy,ADA,Decoy,0,-11.0146,-7.62,-0.63,-10.059815292753235
Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(C)c(C)c2)NCCCN2CCOCC2)n1,C14158308_decoy,ADA,Decoy,0,-9.85941,-7.56,-0.9,-9.201218405673549
CSCC[C@H](NS(=O)(=O)c1ccc(C)cc1)C(=O)NNC(=O)CN1CCCc2ccccc21,C21778519_decoy,ADA,Decoy,0,-10.4781,-9.4,-1.18,-10.606262990181728
C[C@H](OC(=O)CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)C(=O)N[C@@H](C)c1ccccc1,C22086497_decoy,ADA,Decoy,0,-9.45755,-9.15,-2.79,-9.548235619911411
N#CCSc1ccccc1NC(=O)COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2,C22163427_decoy,ADA,Decoy,0,-10.7574,-10.42,-1.5,-17.508611597356804
CCCNC(=O)CNC(=O)c1cc(S(=O)(=O)Nc2ccc(OCC)cc2)ccc1Cl,C22692512_decoy,ADA,Decoy,0,-9.14444,-7.01,-1.33,-8.06557973926898
C[C@@H](Sc1nnc(-c2ccco2)n1CCC(N)=O)C(=O)Nc1ccccc1Sc1ccccc1,C22765265_decoy,ADA,Decoy,0,-9.84988,-8.97,-2.08,-10.76931664853824
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2ccc(OCC(F)(F)F)cc2)cc1,C24759660_decoy,ADA,Decoy,0,-8.45464,-9.01,-2.29,-7.900411215126183
CNS(=O)(=O)Cc1ccc(CNC(=O)[C@H](C)NC(=O)/C=C/c2ccc(OC)cc2)cc1,C25842187_decoy,ADA,Decoy,0,-9.60427,-8.87,-2.88,-9.30926216958258
COc1ccc(S(=O)(=O)NCCNC(=O)CNC(=O)c2ccc(C(F)(F)F)cc2)cc1,C26185754_decoy,ADA,Decoy,0,-7.94041,-8.01,-0.61,-8.37859067547054
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCCNS(=O)(=O)c1ccc(F)cc1,C26533222_decoy,ADA,Decoy,0,-8.19496,-10.02,-1.23,-12.49214764615361
CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1,C27842942_decoy,ADA,Decoy,0,-7.64732,-8.62,-2.61,-7.019913041961819
COc1ccc(S(=O)(=O)NCCNC(=O)NCc2ccccc2OC(F)(F)F)cc1,C29326976_decoy,ADA,Decoy,0,-7.65549,-9.34,-1.25,-12.048221507290297
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1,C31393684_decoy,ADA,Decoy,0,-9.96086,-6.31,-1.63,-7.030209233865371
C=CCO[C@@H]1C[C@](OCc2cccc(C(F)(F)F)c2)(C(=O)NC[C@@H]2CCCO2)C[C@@H](O)[C@H]1O,C35591925_decoy,ADA,Decoy,0,-10.0145,-8.32,-2.45,-12.415704675543394
C[C@@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccc(F)cc2)CC1)C(=O)NCCc1ccccc1,C36585417_decoy,ADA,Decoy,0,-8.80877,-10.07,-1.59,-8.248147711851738
Cc1ccccc1N(C(=O)CCCC(=O)Nc1ccccn1)[C@@H](C(=O)NC1CCCC1)c1ccc(O)cc1,C13027616_decoy,ADA,Decoy,0,-6.12958,-8.96,-2.08,-6.73293854575707
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c1c(F)cccc1F)C(C)C,C39195018_decoy,ADA,Decoy,0,-8.82369,-8.07,-1.83,-7.26843866382399
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NNC(=O)COc2ccccc2-c2ccccc2)cc1,C36673906_decoy,ADA,Decoy,0,-8.82343,-8.99,-1.31,-8.791061451111124
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)[C@@H](NC(=O)c1ccc(Cl)cc1)C(C)C,C39564790_decoy,ADA,Decoy,0,-8.53681,-8.14,-2.16,-7.747906967909889
NS(=O)(=O)c1ccc(CCNC(=O)COC(=O)c2ccc(OC(F)(F)F)cc2)cc1,C39589106_decoy,ADA,Decoy,0,-8.88775,-8.75,-1.72,-7.845100323718038
C=CCn1c(S[C@H](C)C(=O)Nc2ccccc2C)nnc1[C@H](CO)NC(=O)c1ccccc1F,C39765635_decoy,ADA,Decoy,0,-9.56166,-9.37,-1.15,-11.835454643061588
COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(=S)Nc2ccccc2)CCC3)cc1OC,C40825113_decoy,ADA,Decoy,0,-10.7584,-7.81,-2.44,-7.731683107027058
COCCOc1ccc(C(F)(F)F)cc1NC(=O)CSc1nc(C)c(CC(N)=O)s1,C45698975_decoy,ADA,Decoy,0,-9.35302,-7.12,-1.79,-9.582671999381589
C=CCNC(=O)Nc1ccc(NC(=O)/C=C/c2ccc(S(=O)(=O)N(CC)CC)cc2)cc1,C45850994_decoy,ADA,Decoy,0,-9.06993,-8.21,-2.13,-13.170422022148015
CCOc1ccccc1NC(=S)NCCN1CCN(C(=S)Nc2ccccc2OCC)CC1,C59113194_decoy,ADA,Decoy,0,-10.3898,-8.12,-1.74,-8.247169350329655
C=CCn1c(CNc2ccccc2)nnc1SCC(=O)N/N=C/c1ccc(O)cc1,C01001400_decoy,ADA,Decoy,0,-8.88387,-8.33,-1.08,-8.029125229020107
C=CCNC(=O)NC(=O)COC(=O)[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C,C05222310_decoy,ADA,Decoy,0,-7.9323,-7.21,-2.17,-6.491664747439694
CC(C)C[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)NNC(=O)c1ccccc1,C09258445_decoy,ADA,Decoy,0,-9.16987,-8.59,-1.83,-11.31529883111616
NC(=O)N[C@H](CC(=O)OCC(=O)c1ccc(Cl)cc1)c1cccc(Oc2ccccc2)c1,C03286291_decoy,ADA,Decoy,0,-11.1081,-10.04,-1.98,-11.705077715877408
CCOC(=O)c1c(NC(=O)COC(=O)c2cccc(C(F)(F)F)c2)sc(C(N)=O)c1C,C02648976_decoy,ADA,Decoy,0,-8.70227,-8.48,-1.79,-8.656831833550536
CCOc1ccc(C(=O)NNC(=O)[C@@H](CCSC)NC(=O)c2ccccc2Cl)cc1OC,C09634249_decoy,ADA,Decoy,0,-9.40818,-8.23,-0.35,-8.148798511137544
CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1C,C09826127_decoy,ADA,Decoy,0,-9.77414,-7.61,-1.1,-8.893645438055879
COc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1,C02135881_decoy,ADA,Decoy,0,-9.68712,-7.8,-1.63,-8.783593982288126
CCOc1cc(C(=O)NC(=S)Nc2nc3ccc(O)cc3s2)cc(OCC)c1OCC,C10040955_decoy,ADA,Decoy,0,-11.5486,-8.12,-0.55,-9.892184752933655
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)[C@@H](C)Oc2ccc(C)c(C)c2)cc1OC,C10153972_decoy,ADA,Decoy,0,-9.24737,-8.25,-0.81,-7.590459155206281
CC[C@@H](C)c1ccccc1OCC(=O)NNC(=S)NC(=O)c1ccc(C(=O)OC)cc1,C10455602_decoy,ADA,Decoy,0,-10.2143,-8.34,-0.98,-9.51664500936037
CCOc1ccc(CCNC(=O)COC(=O)c2sc3nc(C)cc(C)c3c2N)cc1OCC,C10645029_decoy,ADA,Decoy,0,-9.24616,-8.1,-1.37,-8.35130794633812
CCOc1ccc(O[C@@H](C)C(=O)NNC(=O)[C@H](NC(=O)C2CCCCC2)C(C)C)cc1,C11238054_decoy,ADA,Decoy,0,-8.57278,-5.24,-2.45,-5.562077346216307
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)CCCNC(=O)c2ccc(F)cc2F)cc1,C11238231_decoy,ADA,Decoy,0,-7.04716,-9.14,-2.3,-8.259982264469233
COc1cc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc(Cl)c1OCC(N)=O,C11255708_decoy,ADA,Decoy,0,-8.28835,-8.82,-2.4,-7.763681485591581
Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C(=O)N[C@H](C)c2ccccc2)cc1,C11512729_decoy,ADA,Decoy,0,-8.28768,-9.79,-2.37,-9.27912162076141
Cc1ccc(C(=O)NCC(=O)OCC(=O)Nc2ccccc2C(=O)NCC(C)C)cc1,C11515426_decoy,ADA,Decoy,0,-8.42874,-9.41,-1.05,-12.312021870078723
COc1cc(C(=O)NC(=S)NNC(=O)C(c2ccccc2)c2ccccc2)cc(OC)c1OC,C12503682_decoy,ADA,Decoy,0,-10.5232,-8.3,-2.55,-8.476358252853903
COc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCCNC(=O)c2ccccc2)cc1,C12821158_decoy,ADA,Decoy,0,-8.53593,-8.66,-2.07,-9.638478086406398
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)N[C@H](C)CCc3ccco3)cc2)cc1,C12877721_decoy,ADA,Decoy,0,-9.88499,-8.39,-1.89,-9.279761415483735
C[C@@H](Sc1ccccc1C(=O)OCC(=O)C(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,C12975826_decoy,ADA,Decoy,0,-10.0405,-8.65,-2.01,-9.445744541183496
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OCCOC)cc1,C09207123_decoy,ADA,Decoy,0,-10.0912,-7.96,-0.47,-8.826683939368042
CC[NH+](CC)CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1,C13246428_decoy,ADA,Decoy,0,-10.3751,-7.43,-1.67,-7.61702911362858
CCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OCCOC)cc1,C13618334_decoy,ADA,Decoy,0,-9.40482,-7.96,-1.18,-8.736158991956483
CC(C)COc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1,C13623495_decoy,ADA,Decoy,0,-10.1312,-8.04,-1.01,-8.33259317390837
CCCOc1ccc(C(=O)NC(=S)NNC(=O)[C@@H]2CC(=O)N(Cc3ccccc3)C2)cc1,C13623497_decoy,ADA,Decoy,0,-9.80491,-8.96,-0.72,-10.324820410586332
COc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(C(C)(C)C)cc2)cc1,C13979292_decoy,ADA,Decoy,0,-9.3615,-9.0,-1.0,-9.558618019527534
COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(C)cc1C,C14660525_decoy,ADA,Decoy,0,-9.57307,-7.97,-1.74,-13.111963243326336
COCCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccccc1C,C14660595_decoy,ADA,Decoy,0,-8.44136,-7.83,-1.09,-8.775835835834897
CCOC(=O)c1c(NC(=O)CNc2ccc(OC(F)F)c(Cl)c2)sc(C(=O)NC)c1C,C15320757_decoy,ADA,Decoy,0,-8.69366,-8.21,-0.72,-8.60959604225765
Cc1nc(COc2ccc(C(=O)NNC(=S)NCCc3cccs3)cc2)no1,C21124283_decoy,ADA,Decoy,0,-9.00227,-8.19,-2.03,-7.873428727362322
CCOc1ccc(C(C)C)cc1S(=O)(=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1,C21683000_decoy,ADA,Decoy,0,-9.32971,-9.52,-2.52,-8.613916990849535
COc1ccccc1Nc1nnc(SCC(=O)N(CCC(N)=O)Cc2ccccc2)s1,C29348543_decoy,ADA,Decoy,0,-10.6541,-8.83,-3.4,-14.477278564271082
COc1ccc(NC(=O)C(=O)NCCSCc2ccsc2)cc1NC(=O)OC(C)(C)C,C32937329_decoy,ADA,Decoy,0,-9.25263,-7.39,-0.87,-12.02162039001796
CCCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C2CCCCC2)cc1,C14021968_decoy,ADA,Decoy,0,-9.05756,-7.77,-0.87,-13.735174547211914
CC(C)CCC[C@@H](C)NC(=O)CC[C@@H]1NC(=O)N(CCc2c[nH]c3ccccc23)C1=O,C08765061_decoy,ADA,Decoy,0,-7.85639,-8.06,-1.13,-7.723297626346887
Cc1cccc(C(=O)N[C@@H](C(=O)OCC(=O)Nc2ccccc2C(=O)NCC(C)C)C(C)C)c1,C39659420_decoy,ADA,Decoy,0,-8.60472,-8.99,-0.89,-9.41580368123298
CC(C)[C@@H](Oc1ccccc1)C(=O)N1C[C@H](C(=O)NCCCCCC(=O)[O-])C2(CC[NH2+]CC2)C1,C39660186_decoy,ADA,Decoy,0,-8.9348,-8.39,-1.78,-8.34440738465297
CCOC(=O)[C@H]1C(C)=C(C)S[C@@H]1NC(=O)CSc1nc(CNc2ccccc2)n[nH]1,C39707740_decoy,ADA,Decoy,0,-10.6408,-8.85,-1.29,-9.280694749705214
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)N[C@@H](CN2CCOCC2)c2ccccc2)cc1,C23249003_decoy,ADA,Decoy,0,-10.1277,-6.79,-2.91,-6.543533202215433
CCC[C@H](CNC(=O)COC(=O)CC[C@@H]1NC(=O)NC1=O)c1ccc(Cl)cc1Cl,C32515463_decoy,ADA,Decoy,0,-8.80901,-7.99,-1.6,-8.581072574557341
CCOc1ccc(-c2n[nH]c(=S)n2CCC(=O)N(CCC2CCCCC2)CC(N)=O)cc1,C58222871_decoy,ADA,Decoy,0,-9.6313,-8.55,-2.68,-10.23916931859438
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1cccc(O)c1,C59486859_decoy,ADA,Decoy,0,-9.43624,-8.84,-1.78,-8.784418798954043
COC(CN/C(=N\C(=S)Nc1ccc(Cl)cc1Cl)Nc1nc(C)cc(C)n1)OC,C14155928_decoy,ADA,Decoy,0,-10.6477,-8.45,-1.81,-9.912732615658255
COc1cc(NC(=S)/N=C(/NCC(C)C)Nc2nc(C)cc(C)n2)c(OC)cc1Cl,C14156252_decoy,ADA,Decoy,0,-7.63097,-7.8,-3.92,-7.461291552987185
COCCOC(=O)Nc1cccc(NC(=O)[C@@H](CC(C)C)NC(=O)c2ccc(Cl)cc2)c1,C60065092_decoy,ADA,Decoy,0,-9.50817,-6.82,-1.74,-7.681414666905269
O=C(CNc1ccccc1OC[C@@H]1CCCO1)Nc1ccc(C(=O)NCc2ccco2)cc1,C66070870_decoy,ADA,Decoy,0,-8.73855,-8.85,-1.88,-10.581443676964687
CC(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)NC[C@H]2CCCO2)cc1,C66089688_decoy,ADA,Decoy,0,-8.71509,-8.48,-0.72,-8.193633134751664
COCCOc1ccc(NC(=O)CNc2ccc(C(=O)NCc3ccco3)cc2)cc1,C66107850_decoy,ADA,Decoy,0,-8.42807,-8.16,-0.6,-9.140146809443406
O=C(CNc1ccc(OC[C@H]2CCCO2)cc1)Nc1cccc(C(=O)NCc2ccco2)c1,C66227664_decoy,ADA,Decoy,0,-9.26811,-8.38,-2.14,-8.117423989806522
CCc1sc(C(=O)OCC(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1C,C05364347_decoy,ADA,Decoy,0,-9.88634,-7.86,-1.45,-8.593385892748064
CC[C@@H](C)c1ccccc1OCC(=O)NNC(=O)c1ccc(NC(=O)C2CC2)cc1,C06392947_decoy,ADA,Decoy,0,-8.0562,-9.76,-1.35,-13.11526958381083
CCc1ccc(OCc2ccc(C(=O)NNC(=S)NC[C@@H]3CCCO3)o2)cc1,C06489932_decoy,ADA,Decoy,0,-10.0569,-7.17,-2.05,-7.436403358114875
CCOc1ccc(CC(=O)NNC(=S)Nc2ccccc2CC)cc1OCC,C02795304_decoy,ADA,Decoy,0,-9.4156,-8.19,-3.54,-9.039787565162936
CCOc1ccc2[nH]c(=O)c(CN(CCCO)C(=S)Nc3cccc(Cl)c3)cc2c1,C06196602_decoy,ADA,Decoy,0,-9.29065,-8.45,-2.1,-11.840528246209368
CC1CCN(C(=S)SCC(=O)O[C@@H](C)C(=O)Nc2ccc(C(N)=O)cc2)CC1,C07616525_decoy,ADA,Decoy,0,-10.0382,-7.88,-0.42,-8.622821328926682
CCOCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1cccc(C)c1,C09826136_decoy,ADA,Decoy,0,-9.1426,-8.54,-0.25,-12.1772920710429
CCCCNC(=S)NNc1ccc(S(=O)(=O)N2C[C@@H](C)C[C@H](C)C2)cn1,C07581914_decoy,ADA,Decoy,0,-8.95414,-8.39,-2.12,-7.938927030894338
CCOc1ccccc1C(=O)NC(=S)Nc1ccc(C(=O)NCCOC)cc1,C13617460_decoy,ADA,Decoy,0,-9.16743,-6.75,-1.64,-9.267221953500012
COCCNC(=O)c1ccc(NC(=S)NC(=O)CCc2ccccc2Cl)cc1,C13617546_decoy,ADA,Decoy,0,-9.86297,-8.61,-1.94,-8.701711097461295
CCCOc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NCC)cc2)cc1Br,C13631704_decoy,ADA,Decoy,0,-10.1749,-8.4,-1.07,-12.180988274127744
COc1ccccc1OCC(=O)NNC(=S)NC(=O)/C=C/c1ccc(C)cc1,C06233715_decoy,ADA,Decoy,0,-9.46618,-9.58,-0.89,-14.378168575034278
CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccccc2Cl)cc1,C14012730_decoy,ADA,Decoy,0,-9.30411,-9.19,-0.84,-9.277252675804789
COCCCN/C(=N\C(=S)Nc1cc(C)ccc1C)Nc1nc(C)cc(C)n1,C14158623_decoy,ADA,Decoy,0,-9.40416,-6.7,-1.83,-6.426721608299417
CCCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OC(C)C)cc1,C14664531_decoy,ADA,Decoy,0,-9.36582,-8.73,-0.98,-17.644964020216058
CC(C)Oc1cccc(C(=O)NC(=S)Nc2cccc(C(=O)NCc3ccco3)c2)c1,C14837407_decoy,ADA,Decoy,0,-10.0595,-7.62,-2.26,-7.623208768076177
Cc1ccc(OCCCC(=O)NNC(=S)NCc2ccc3c(c2)OCO3)cc1,C15913121_decoy,ADA,Decoy,0,-8.77986,-7.84,-1.48,-8.16416119361289
COc1ccc(CC(=O)NN/C(C)=C/C(=O)NCc2ccc(F)cc2)cc1OC,C20158276_decoy,ADA,Decoy,0,-7.50053,-8.92,-2.19,-7.653585709983274
NC(=O)N[C@@H](CC(=O)OCC(=O)N1CCC(Cc2ccccc2)CC1)c1ccc(Cl)cc1,C20970413_decoy,ADA,Decoy,0,-10.1291,-9.34,-2.4,-13.564091820990816
CC(C)(C)N(Cc1ccccc1)C(=O)COC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1,C20973423_decoy,ADA,Decoy,0,-9.10604,-9.4,-0.48,-14.712614198982148
Cc1ccc(C(C)C)c(OCC(=O)O[C@H](C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c1,C21601805_decoy,ADA,Decoy,0,-9.48923,-10.06,-0.79,-9.727068067654864
O=C(NCCNS(=O)(=O)/C=C/c1ccccc1)c1ccc(NC(=O)C2CC2)cc1,C21683042_decoy,ADA,Decoy,0,-8.32189,-8.41,-0.81,-8.465688232819774
CCc1ccccc1NC(=O)CNC(=O)CCNS(=O)(=O)c1ccc(F)cc1,C25377330_decoy,ADA,Decoy,0,-8.64738,-9.34,-0.92,-9.885613165879104
CCNC(=S)N1CCC([C@H](NC(=O)c2ccccc2)C(=O)N[C@@H](C)CC)CC1,C36214608_decoy,ADA,Decoy,0,-9.43433,-6.63,-1.29,-7.902089850698677
COc1cc(OC)cc(C(=O)N[C@H](C(=O)NCCc2c[nH]c3ccccc23)C(C)C)c1,C02634655_decoy,ADA,Decoy,0,-7.77496,-9.15,-1.12,-9.010728430861978
CC(C)OCCNC(=O)[C@H]1Sc2ncnc(NCCc3c[nH]c4ccccc34)c2[C@H]1C,C39420869_decoy,ADA,Decoy,0,-10.6358,-8.64,-1.72,-9.277915486153836
CC[C@@H](C(=O)N1C[C@@H](C(=O)NCCCCC(=O)[O-])C2(CC[NH2+]CC2)C1)c1ccccc1,C39682792_decoy,ADA,Decoy,0,-9.83416,-6.57,-1.25,-6.308490199889324
C=C1C=C(C)[C@H](CNC(=O)[C@@H](CCSC)NS(=O)(=O)c2ccccc2F)C(=O)N1,C39733466_decoy,ADA,Decoy,0,-8.8271,-7.88,-1.65,-9.147102696409902
CCOC(=O)/C(=C/N=C(\[S-])Nc1ccc(Cl)cc1)C(=O)NCC[NH+](C)C,C34257628_decoy,ADA,Decoy,0,-9.3239,-7.16,-0.87,-8.352979333942688
CCOc1cc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc(Cl)c1OCC,C40721616_decoy,ADA,Decoy,0,-9.22867,-8.02,-1.24,-10.649697834874823
O=C([O-])[C@H](C[NH2+]CCc1ccccn1)[C@@H](NCCc1ccccn1)c1ccc(F)cc1,C43208977_decoy,ADA,Decoy,0,-8.19126,-8.66,-1.84,-8.680569133527092
N#Cc1ccccc1CSCCNC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,C46735847_decoy,ADA,Decoy,0,-9.6748,-7.94,-0.71,-7.957167795283642
CC(C)CCSCC(=O)N(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C57204805_decoy,ADA,Decoy,0,-7.79239,-6.46,-3.32,-6.140641358595451
CCOC(=O)/C(C#N)=C/Nc1ccccc1NC(=S)Nc1ccc(C(C)=O)cc1,C03333797_decoy,ADA,Decoy,0,-9.3679,-8.05,-1.43,-9.778018513145488
COCCOC(=O)c1c(NC(=O)CSc2ccc(F)c(F)c2)sc(C(N)=O)c1C,C17308257_decoy,ADA,Decoy,0,-10.3295,-7.09,-1.66,-9.115304794611648
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NCC(=O)NC(C)(C)C)cc1,C17811994_decoy,ADA,Decoy,0,-8.88766,-6.57,-1.68,-7.752383064497237
CCCNS(=O)(=O)c1ccc(NC(=O)[C@H](NC(=O)CC(C)C)C(C)C)cc1,C58839386_decoy,ADA,Decoy,0,-8.88238,-7.58,-0.9,-7.930521340929377
O=C(COc1ccccc1CNC(=O)Cc1c[nH]c2ccccc12)NC[C@@H]1CCCO1,C59021160_decoy,ADA,Decoy,0,-8.84781,-7.9,-1.72,-7.762630201210708
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCCN1CCN(c2ccc(F)cc2)CC1,C27613786_decoy,ADA,Decoy,0,-8.67879,-7.02,-0.64,-6.6544148192769885
CCOC(=O)c1c(C)[nH]c(C(=O)CNc2ccc(C(=O)NC(C)C)cc2C)c1C,C60458907_decoy,ADA,Decoy,0,-9.70904,-9.0,-3.42,-11.65272727633753
CCS(=O)(=O)NCCNC(=O)C(=O)Nc1ccc(SC(F)(F)F)cc1,C62197468_decoy,ADA,Decoy,0,-8.06784,-7.52,-0.59,-7.525937842387086
C=CCNC(=O)c1ccc(NC(=O)C(=O)N[C@H](CC(C)C)c2cccs2)cc1,C52740090_decoy,ADA,Decoy,0,-10.274,-7.01,-1.26,-7.219256530399404
CCOCCOc1c(Cl)cccc1NC(=O)NCCC(=O)NC1CCCC1,C63397429_decoy,ADA,Decoy,0,-8.57809,-5.07,-0.41,-5.865152143778814
C=CCOc1ccccc1NCC(=O)Nc1cccc(C(=O)NCc2ccco2)c1,C66062475_decoy,ADA,Decoy,0,-8.0338,-7.61,-1.76,-8.809941640553275
CCCNC(=O)c1ccc(NC(=O)CNc2ccccc2OC[C@H]2CCCO2)cc1,C66070801_decoy,ADA,Decoy,0,-8.91481,-6.94,-0.96,-6.30264521904377
C=C(C)COc1ccccc1NC(=O)CNc1ccc(C(=O)NC[C@H]2CCCO2)cc1,C66089732_decoy,ADA,Decoy,0,-8.87609,-7.33,-0.95,-10.364835872964475
CCN(CC)c1ccc(CNC(=O)/C=C/c2ccc(OCC(N)=O)cc2)cc1F,C66841130_decoy,ADA,Decoy,0,-10.3864,-8.97,-1.87,-8.464040570386583
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)NCc1ccc(OC(F)F)cc1,C67131397_decoy,ADA,Decoy,0,-8.11992,-7.95,-1.77,-8.015694573491718
O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=O)CC1CCCCC1,C67189984_decoy,ADA,Decoy,0,-8.52685,-9.21,-1.63,-11.708895820401423
CCOc1ccc(OCC)c(NC(=S)NNC(=O)c2ccc(Cl)s2)c1,C67193879_decoy,ADA,Decoy,0,-9.79374,-6.31,-1.61,-7.994263933707455
COC(=O)c1ccc(NC(=S)N[C@H](NC(=O)c2ccccc2)C(Cl)(Cl)Cl)cc1,C03129783_decoy,ADA,Decoy,0,-10.001,-6.08,-0.94,-6.604213684410974
COC(=O)c1ccc(NC(=S)N[C@@H](NC(=O)CCl)C(Cl)(Cl)Cl)cc1,C03130842_decoy,ADA,Decoy,0,-9.69048,-7.07,-0.95,-11.328395952648618
C=CCOc1c(Br)cc(CNc2ccc(S(N)(=O)=O)cc2)cc1OCC,C02886365_decoy,ADA,Decoy,0,-9.35098,-6.82,-2.14,-7.327560039720223
COc1cc(NC(=S)NC(=O)COc2ccccc2C)ccc1NC(=O)c1cccs1,C08831388_decoy,ADA,Decoy,0,-10.4349,-9.18,-2.18,-15.519159685336618
CCOC(=O)Cc1csc(SCC(=O)Nc2sc3c(c2C(N)=O)CC[C@@H](C)C3)n1,C03434815_decoy,ADA,Decoy,0,-11.7899,-7.6,-1.63,-8.623765955576621
COc1ccc(CCNC(=S)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)cc1OC,C09345205_decoy,ADA,Decoy,0,-9.64716,-8.77,-1.52,-11.110337001111947
CCOc1cc(C(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)cc(OCC)c1OCC,C10039036_decoy,ADA,Decoy,0,-10.2793,-7.87,-0.83,-9.019133801732847
C[C@@H]1CCCC[C@H]1NC(=O)CSc1nc2ccccc2c(=O)n1CCCCCC(N)=O,C10606277_decoy,ADA,Decoy,0,-9.24534,-8.61,-1.54,-8.4662470765914
COc1ccc(F)c(C[C@@]2(CCC(=O)NCCc3c(C)[nH]c4ccc(Cl)cc34)CCC(=O)N2)c1,C12037543_decoy,ADA,Decoy,0,-8.43166,-10.1,-3.43,-9.709228521720055
CCC(CC)NC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1,C12357336_decoy,ADA,Decoy,0,-9.4367,-7.94,-0.71,-11.293967829824211
O=C(COc1ccc(Br)cc1)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1,C12502746_decoy,ADA,Decoy,0,-9.60227,-9.83,-1.6,-10.29340384867968
Cc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)cc1,C12502988_decoy,ADA,Decoy,0,-10.0316,-7.81,-0.54,-8.83837568606908
C[C@@H](Oc1ccc(Cl)cc1Cl)C(=O)NC(=S)NNC(=O)COc1ccccc1Cl,C12570155_decoy,ADA,Decoy,0,-9.66024,-8.5,-0.79,-9.538786607952344
O=C(CCCNC(=O)c1ccc(Cl)cc1)NNC(=O)COc1ccccc1-c1ccccc1,C12898305_decoy,ADA,Decoy,0,-9.15805,-9.36,-2.57,-8.949345895918613
C=CCNC(=S)NNC(=O)/C=C/c1c(C)nn(Cc2c(Cl)cccc2Cl)c1C,C13018850_decoy,ADA,Decoy,0,-10.6629,-8.58,-1.02,-14.238103241891404
CCNC(=S)NNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(Br)cc1,C01812046_decoy,ADA,Decoy,0,-9.90159,-7.81,-0.78,-10.156092210152964
COCCNC(=O)c1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OC(C)C)c1,C13618501_decoy,ADA,Decoy,0,-10.2211,-7.89,-0.57,-9.05253213365596
CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OCC(C)C)cc2)cc1,C13621188_decoy,ADA,Decoy,0,-9.34582,-8.52,-0.37,-10.039190478022132
CCc1ccc(OCC(=O)NC(=S)NNC(=O)COc2ccccc2C)c(Br)c1,C13978593_decoy,ADA,Decoy,0,-9.62125,-9.21,-1.13,-9.392126793129156
CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccccc2)c(Br)c1,C13979104_decoy,ADA,Decoy,0,-10.1029,-9.58,-1.13,-9.734018393904307
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)cc1,C13979869_decoy,ADA,Decoy,0,-9.21699,-9.12,-0.75,-9.40865460938691
CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)cc2)cc1,C14012711_decoy,ADA,Decoy,0,-10.1765,-7.15,-1.12,-7.53440589130273
CCCCOc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)NCc1ccco1,C14032285_decoy,ADA,Decoy,0,-8.7001,-7.73,-0.77,-8.54448553040562
COCCCN(Cc1sc2ccccc2c1Cl)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C14241635_decoy,ADA,Decoy,0,-10.0651,-9.35,-1.13,-9.966500682296209
CS(=O)(=O)NC1(CNC(=O)C[C@@H](NC(=O)c2ccccc2Cl)c2ccccc2)CCCCC1,C14249105_decoy,ADA,Decoy,0,-8.46434,-8.96,-2.33,-8.704282873093948
CCCN(C(=O)CSCc1ccc(C)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C14579800_decoy,ADA,Decoy,0,-8.48656,-8.59,-2.22,-8.519625377989364
CCCOc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1C(=O)NCC,C14653542_decoy,ADA,Decoy,0,-9.27269,-6.88,-0.81,-7.381199159115331
C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccccc2OC(C)C)cc1,C14664520_decoy,ADA,Decoy,0,-10.1864,-8.43,-2.04,-9.591204185389133
COc1ccccc1/C=C(/C(=O)OCC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccccc1,C15223526_decoy,ADA,Decoy,0,-9.77932,-8.5,-2.77,-8.335838300812862
O=C(CNC(=O)CNC(=O)c1ccc(Cl)cc1Cl)NCCCSc1ccc(F)cc1,C15497619_decoy,ADA,Decoy,0,-9.049,-8.41,-2.28,-10.770374750515074
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(=O)NNC(=O)Cc2ccc(Cl)cc2)cc1,C15529985_decoy,ADA,Decoy,0,-9.55074,-8.25,-2.6,-9.006233531741715
CNC(=O)c1ccc(NC(=O)[C@H](CCSC)NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1,C15560389_decoy,ADA,Decoy,0,-10.8857,-8.49,-0.85,-11.814937536239247
COC(=O)c1c(NC(=S)NNC(=O)CSCc2ccccc2)sc2c1CC[C@H](C)C2,C20562859_decoy,ADA,Decoy,0,-11.9146,-7.59,-0.08,-9.465017616679017
C[C@H](OC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)C(=O)N(Cc1ccccc1)Cc1ccccc1,C20991109_decoy,ADA,Decoy,0,-8.59512,-9.11,-2.01,-11.971115117923627
COCCCNC(=O)Nc1cc(C(=O)NCc2ccc(C(C)C)cc2)ccc1N1CCCC1,C21050044_decoy,ADA,Decoy,0,-9.54926,-7.91,-1.2,-8.03158031898926
C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1CCC(N)=O)c1ccc(Br)cc1,C22749936_decoy,ADA,Decoy,0,-10.7843,-8.26,-1.64,-9.957761009169758
NS(=O)(=O)c1ccc(CNC(=O)COC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,C23637187_decoy,ADA,Decoy,0,-8.92496,-9.25,-0.85,-8.947201299744476
COc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)cc1,C24964522_decoy,ADA,Decoy,0,-8.21761,-8.68,-0.54,-8.45204169665124
CCOc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1,C14012371_decoy,ADA,Decoy,0,-10.7561,-9.31,-0.66,-9.11590437010083
C/C=C\[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccco1)C(=O)c1cccc(O)c1O,C36500862_decoy,ADA,Decoy,0,-9.07915,-6.27,-1.64,-7.643462304316885
CCCN(C(=O)c1ccc(O)cc1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(O)cc1,C36570643_decoy,ADA,Decoy,0,-7.60366,-5.87,-1.75,-5.392871200141961
CCCN(C(=O)CNC(=O)c1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1O,C36575367_decoy,ADA,Decoy,0,-7.39348,-6.51,-2.4,-5.424680761117514
CCOc1cc(NC(=S)NC[C@@H]2CCCO2)c(OCC)cc1NC(=O)c1ccccc1,C13471396_decoy,ADA,Decoy,0,-9.48098,-7.29,-1.56,-7.939084351471983
O=S(=O)(NC[C@@H]1CCCO1)c1ccc(NC(=S)Nc2ccc(OC(F)F)c(Cl)c2)cc1,C39974695_decoy,ADA,Decoy,0,-10.9242,-7.98,-2.08,-8.43882543677086
COc1cccc([C@@H](CNC(=O)CCCNC(=O)C2CC2)c2c[nH]c3ccccc23)c1OC,C46705264_decoy,ADA,Decoy,0,-8.61139,-8.25,-0.93,-8.29508601280762
CC[NH+](CC)c1ccc(CN(C[C@@H](O)COc2ccccc2C=O)c2cccc[nH+]2)cc1,C54120905_decoy,ADA,Decoy,0,-9.08873,-8.89,-2.31,-8.804501953442601
NC(=O)[C@H]1CCCN(c2ccc(CNC(=O)CSCc3cc(-c4cccs4)on3)cc2)C1,C58244777_decoy,ADA,Decoy,0,-10.9002,-8.69,-2.29,-8.179591811216962
N#Cc1c(CCCNC(=O)CCC(=O)c2ccc(F)cc2F)nn(-c2ccc(F)cc2)c1N,C59403088_decoy,ADA,Decoy,0,-9.27281,-8.74,-1.93,-10.872197596409428
CCCN(C(=O)CSCc1cccc(Cl)c1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C14579798_decoy,ADA,Decoy,0,-8.92159,-7.61,-1.74,-7.160567548486681
CC[NH+](CC)c1ccc(NC(=O)Cn2c(-c3ccc(F)cc3)nc(C)c(CCO)c2=O)c(C)c1,C67301150_decoy,ADA,Decoy,0,-10.5731,-7.22,-1.24,-8.022850779793272
CCNC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@H]2CC(=O)NCc2ccco2)[C@]1(C)CO,C04236541_decoy,ADA,Decoy,0,-10.4451,-5.66,-2.11,-6.426073780231062
O=C(NCO[C@@H](O)C(Cl)(Cl)Cl)NCO[C@@H](O)C(Cl)(Cl)Cl,C01733736_decoy,ADA,Decoy,0,-9.42376,-7.01,-1.54,-8.447565776532025
O=C1c2ccccc2C(=O)c2c(NCCOCCO)ccc(NCCOCCO)c21,C05387081_decoy,ADA,Decoy,0,-10.1867,-6.7,-2.46,-7.69202187948621
CC(C)OC(=O)NC(Nc1ccc(S(N)(=O)=O)cc1)(C(F)(F)F)C(F)(F)F,C02266004_decoy,ADA,Decoy,0,-7.40965,-7.28,-1.24,-7.157810545211749
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)NCCCl)c1,C03225442_decoy,ADA,Decoy,0,-9.19207,-7.83,-1.79,-7.629338983197138
CC(C)(C)NC(=O)NC(=O)COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2,C06597472_decoy,ADA,Decoy,0,-8.3423,-9.09,-1.56,-12.73376857521598
NC(=O)c1ccsc1NC(=O)COC(=O)c1ccccc1NC(=O)c1ccco1,C03491299_decoy,ADA,Decoy,0,-8.40583,-8.01,-1.32,-11.195759711869444
C=C(C)c1cccc(C(C)(C)NC(=O)Nc2oc(C)c(C(=O)OCC)c2C(N)=O)c1,C08395154_decoy,ADA,Decoy,0,-9.07704,-8.79,-0.93,-14.209615500799233
NC(=O)c1c(NC(=O)CSc2nnc(NCc3ccco3)s2)sc2c1CCC2,C09778631_decoy,ADA,Decoy,0,-10.7963,-8.46,-1.38,-12.953466925277738
NC(=O)c1c(NC(=O)CSc2nnc(NC[C@H]3CCCO3)s2)sc2c1CCC2,C09789046_decoy,ADA,Decoy,0,-11.0667,-7.39,-1.33,-8.471011465202293
CS(=O)(=O)NCCc1ccc(C(=O)Nc2cc(C(N)=O)ccc2N2CCCC2)cc1,C09905868_decoy,ADA,Decoy,0,-10.5838,-7.84,-1.07,-8.412124503597564
CCCCN1C[C@@H](C(=O)Nc2ccc(C(=O)Nc3ccc(S(N)(=O)=O)cc3)cc2)CC1=O,C10462100_decoy,ADA,Decoy,0,-10.3173,-9.07,-1.64,-8.41499568316754
COc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1,C12403255_decoy,ADA,Decoy,0,-9.25432,-9.33,-0.84,-13.920855112204446
NC(=O)c1ccsc1NC(=O)COC(=O)C[C@H]1Sc2ccc(C(F)(F)F)cc2NC1=O,C12426122_decoy,ADA,Decoy,0,-8.27466,-9.19,-0.78,-12.642040132815255
CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)cc1,C12502684_decoy,ADA,Decoy,0,-9.76817,-9.75,-1.87,-9.6518548442024
CCC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)COc2ccccc2OC)cc1,C12571486_decoy,ADA,Decoy,0,-9.3119,-7.23,-0.83,-8.675266972331988
O=C(CCNC(=O)Cc1n[nH]c(=O)c2ccccc12)NCCc1c[nH]c2ccccc12,C13727233_decoy,ADA,Decoy,0,-8.1637,-10.57,-0.71,-9.676372954931985
COc1ccc(/C=C/C(=O)NC(=S)NNC(=S)Nc2ccccc2)cc1OC,C13977377_decoy,ADA,Decoy,0,-10.0926,-7.81,-0.74,-9.576833013035698
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)CNC(=O)C2CCCCC2)cc1,C13985471_decoy,ADA,Decoy,0,-9.42074,-7.39,-1.49,-7.114948682913711
CSCC[C@H](NC(N)=O)C(=O)Nc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1,C14095054_decoy,ADA,Decoy,0,-9.37762,-7.95,-1.41,-7.413325048186168
C[C@@H](NC(=O)CSc1nnc(NCc2ccco2)s1)c1ccc(S(N)(=O)=O)cc1,C14162826_decoy,ADA,Decoy,0,-11.3979,-6.82,-0.15,-7.841645315310265
NC(=O)CSc1ccccc1NC(=O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,C14185462_decoy,ADA,Decoy,0,-8.1076,-10.79,-1.44,-8.911766617468666
COCCNC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1,C16187158_decoy,ADA,Decoy,0,-9.44813,-7.02,-1.95,-8.491025779289474
CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)c2ccc([N+](=O)[O-])cc2Cl)cc1,C16320892_decoy,ADA,Decoy,0,-10.3353,-7.69,-0.93,-7.870609818330028
C[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)C(=O)Nc1sccc1C(N)=O,C16332255_decoy,ADA,Decoy,0,-9.94941,-6.57,-2.04,-8.06419507074078
Cc1sc2nc(CS[C@@H](C)C(=O)NNC(=S)NC(C)C)[nH]c(=O)c2c1C,C17641515_decoy,ADA,Decoy,0,-10.9467,-7.07,-2.89,-9.299422569446383
NS(=O)(=O)c1ccc(C[NH2+]C/C([O-])=N/c2nnc(Cc3ccccc3)s2)cc1,C21264597_decoy,ADA,Decoy,0,-10.4815,-9.13,-1.25,-13.070780412902293
CSc1ccccc1NC(=O)CSc1nnc(N/N=C/c2ccc(C)o2)n1N,C21321480_decoy,ADA,Decoy,0,-10.3095,-8.8,-0.87,-14.692959481837292
NC(=O)CSc1nnc(SCC(=O)NC(=O)NCCC2=CCCCC2)s1,C22533568_decoy,ADA,Decoy,0,-11.2459,-7.48,-1.5,-12.20163887132694
COc1ccc(S(=O)(=O)/N=C(\N)NCCc2c(C)[nH]c3ccc(F)cc23)cc1OC,C22625375_decoy,ADA,Decoy,0,-8.915,-9.24,-0.75,-12.743286427061914
C[C@@H]1CCc2c(sc(NC(=O)CSc3nnc(NC[C@H]4CCCO4)s3)c2C(N)=O)C1,C24506975_decoy,ADA,Decoy,0,-12.0957,-8.48,-1.2,-9.42435778417546
CN(CCNC(=O)c1ccccc1NS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1,C24871803_decoy,ADA,Decoy,0,-7.9133,-5.68,-1.34,-4.75888003733528
NS(=O)(=O)c1ccc(CCNC(=O)NC[C@H](c2cccs2)N2CCOCC2)cc1,C12786805_decoy,ADA,Decoy,0,-10.784,-8.97,-1.86,-13.50939989943655
COCCNS(=O)(=O)c1ccc(Cl)c(C(=O)NNC(=O)c2cc(Br)c[nH]2)c1,C28717665_decoy,ADA,Decoy,0,-9.86076,-7.04,-2.17,-8.816125583390711
Cc1cccc(NC(=S)NNC(=O)CCNS(=O)(=O)c2cccs2)c1C,C29691387_decoy,ADA,Decoy,0,-9.22218,-8.45,-0.38,-8.858393277126691
NC(=O)COc1ccccc1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1F,C31685471_decoy,ADA,Decoy,0,-8.93897,-7.69,-0.92,-8.817652036065756
NC(=O)c1ccsc1NC(=O)COC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2,C06477013_decoy,ADA,Decoy,0,-9.88792,-9.09,-0.56,-13.357893584699855
COc1cc([C@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2cccc(O)c2O)ccc1O,C36500918_decoy,ADA,Decoy,0,-8.38771,-6.28,-1.96,-5.416298430118878
CCC(=O)N([C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1c(O)cc(O)cc1O)C(C)(C)C,C36594217_decoy,ADA,Decoy,0,-8.42919,-7.55,-2.17,-8.283824852140713
CCCCNC(=O)[C@H](c1c(O)cc(O)cc1O)N(Cc1ccc(C)o1)C(=O)COC,C36602011_decoy,ADA,Decoy,0,-8.52391,-8.16,-1.9,-8.911502747023638
CCOCC[C@H]1NN[C@H](NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)S1,C39252395_decoy,ADA,Decoy,0,-9.80822,-8.01,-0.51,-9.60253794077035
COc1cc(NC(=S)NCc2ccc(S(N)(=O)=O)cc2)c(OC)cc1Cl,C08829883_decoy,ADA,Decoy,0,-9.76663,-6.73,-2.77,-8.482818183787519
CN(C[C@@H](O)COc1ccc(C(F)(F)F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,C40155905_decoy,ADA,Decoy,0,-7.2855,-9.11,-0.71,-7.75527478965969
C[C@@H](O)CNS(=O)(=O)c1ccc(-c2ccc(S(=O)(=O)NC[C@@H](C)O)cc2)cc1,C41097218_decoy,ADA,Decoy,0,-9.94572,-7.99,-1.56,-10.758571363042778
COCCNC(=S)NNC(=O)c1cc2n(n1)[C@H](C(F)(F)C(F)(F)F)C[C@H](C)N2,C02782013_decoy,ADA,Decoy,0,-7.60835,-6.9,-1.54,-6.982599599837734
COc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@@H](c1ccccc1)C[C@H]2C(F)F,C02794081_decoy,ADA,Decoy,0,-9.19802,-8.78,-0.9,-14.226865817459514
CCN(C(=O)CN[C@@H](C)c1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C13039985_decoy,ADA,Decoy,0,-7.88815,-9.26,-0.76,-8.354456043438685
S=C(NCc1ccc2c(c1)OCO2)NNC(=S)NCc1ccc2c(c1)OCO2,C59114956_decoy,ADA,Decoy,0,-10.1875,-6.88,-0.76,-8.236768585507711
CC(C)C(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)N1CCC[C@H](CCC(N)=O)C1,C60373825_decoy,ADA,Decoy,0,-8.86679,-9.09,-1.64,-9.38764540372574
Cc1[nH]cnc1CSCCNC(=O)C(=O)Nc1ccc2c(c1)N[C@H](C(F)(F)F)N2C,C63807270_decoy,ADA,Decoy,0,-7.47302,-8.31,-0.95,-7.075849842896616
COCC(=O)Nc1nc2c(s1)C[C@@H]1[C@](C)(CO)[C@H](O)CC[C@@]1(C)[C@@H]2CC(=O)NC(C)C,C03841103_decoy,ADA,Decoy,0,-10.1526,-6.09,-0.55,-6.896892993557112
NS(=O)(=O)c1ccc(NC(=S)NC(=O)COc2ccc(Cl)cc2Cl)cc1,C02135633_decoy,ADA,Decoy,0,-10.9839,-7.93,-0.92,-8.881163832082168
CNS(=O)(=O)c1cccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)c1,C03334697_decoy,ADA,Decoy,0,-9.84765,-6.9,-1.17,-6.186192248561418
O=C(NNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2)cc1)C(=O)NC1CC1,C08172627_decoy,ADA,Decoy,0,-7.92408,-8.52,-0.61,-7.644297301976079
CC(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1,C08555294_decoy,ADA,Decoy,0,-9.09057,-8.58,-1.55,-8.415947722681592
CCOC(=O)c1c(C)[nH]c(C)c1S(=O)(=O)Nc1ccc(S(N)(=O)=O)cc1,C09228282_decoy,ADA,Decoy,0,-9.25414,-7.79,-2.56,-9.516995568964433
O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=O)c1n[nH]c(=O)c2ccccc12)c1ccccc1,C09396724_decoy,ADA,Decoy,0,-9.15247,-9.72,-3.75,-9.005708638931015
NS(=O)(=O)c1cccc(NC(=O)COC(=O)C[C@@H]2Sc3ccccc3NC2=O)c1,C09613385_decoy,ADA,Decoy,0,-9.64481,-8.93,-1.4,-8.534746987869672
NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2cccc([N+](=O)[O-])c2)cc1,C10012126_decoy,ADA,Decoy,0,-10.5484,-9.53,-1.82,-10.261400375064012
CC[C@@H](SC1=NC(=O)[C@@H](c2ccccc2)C(=O)N1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,C12418468_decoy,ADA,Decoy,0,-10.2841,-8.3,-4.43,-7.537325769154294
Cc1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1NC(=O)c1ccco1,C13040482_decoy,ADA,Decoy,0,-10.1529,-9.85,-0.72,-9.072522879463454
C[C@H](Sc1nnc(NC[C@@H]2CCCO2)s1)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,C13127467_decoy,ADA,Decoy,0,-9.80811,-8.59,-0.76,-10.9434164801519
Cc1cc(C)nc(N/C(=N/C(=S)Nc2ccc(F)cc2)N2CCC(C(N)=O)CC2)n1,C14161063_decoy,ADA,Decoy,0,-9.36791,-10.14,-2.58,-11.014130546487772
Cc1cc(C)nc(N/C(=N/C(=S)NC2CCCC2)N2CCC(C(N)=O)CC2)n1,C14161093_decoy,ADA,Decoy,0,-9.86734,-8.3,-0.78,-9.156138690675816
C=C[C@@]1(C)C[C@H](OC(=O)C(=C)[C@@H](O)CO)[C@H](C(=C)C(=O)OC)[C@H](O)[C@H]1C(=C)CO,C14781596_decoy,ADA,Decoy,0,-9.74543,-7.75,-0.94,-11.287123598319832
CCN(C(=O)CC[C@@H]1Cc2ccccc2NC1=O)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C14849393_decoy,ADA,Decoy,0,-9.30074,-10.74,-0.13,-9.667698089200472
Cc1c(C(=O)N[C@@H](CC(C)C)C(N)=O)sc2ncnc(NC[C@@H]3CCCO3)c12,C15071156_decoy,ADA,Decoy,0,-11.9573,-8.11,-1.08,-9.46542009124824
O=C(CCCNS(=O)(=O)c1ccc(F)cc1)NNC(=S)NC[C@@H]1CCCO1,C15899218_decoy,ADA,Decoy,0,-7.94036,-7.12,-0.91,-7.922382006555712
C/C(=N\Nc1nc(SCc2nnc(C(F)(F)F)o2)n[nH]1)c1ccc(N)cc1,C20836868_decoy,ADA,Decoy,0,-7.51286,-8.33,-1.32,-7.160735230803086
CNc1snc(C)c1C(=O)O[C@@H](C)C(=O)Nc1sc2c(c1C(N)=O)CCC2,C21761912_decoy,ADA,Decoy,0,-9.37468,-7.72,-2.03,-8.079376786926638
C[C@H]1CCc2c(sc3nc(CCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)[nH]c(=O)c23)C1,C21882454_decoy,ADA,Decoy,0,-10.2891,-9.8,-1.8,-11.158504149186562
Cc1ccc(S(=O)(=O)NC2CC2)cc1C(=O)NNC(=S)NC1CCCC1,C27253657_decoy,ADA,Decoy,0,-10.3201,-7.36,-0.52,-9.157971357732729
NC(=O)COc1cccc(NC(=O)C[C@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1,C30988605_decoy,ADA,Decoy,0,-8.799,-9.62,-0.75,-8.668275231811858
CC(C)CNC(=O)Nc1ccc(NC(=O)N2CCC[C@H](C(=O)NC[C@H]3CCCO3)C2)cc1,C33310217_decoy,ADA,Decoy,0,-9.36373,-5.19,-2.48,-6.598332699284188
CCN(CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)Cc1nc2ccccc2c(=O)[nH]1,C12746649_decoy,ADA,Decoy,0,-9.54048,-10.32,-0.59,-9.573950742971048
CC(C)(C)NC(=O)[C@H](c1c(O)cc(O)cc1O)N(Cc1ccco1)C(=O)c1ccco1,C36498352_decoy,ADA,Decoy,0,-8.50256,-8.09,-1.56,-10.41007607165986
COc1cc([C@@H]2NC(=O)NC(c3ccccc3)=C2C(C)=O)c(Br)cc1OCC(N)=O,C02884528_decoy,ADA,Decoy,0,-9.81903,-8.93,-1.62,-8.502952486302355
O=C(CSC1=NN[C@@H](Cc2cc(=O)[nH]c(=O)[nH]2)N1c1ccccc1)Nc1ccccc1F,C39361533_decoy,ADA,Decoy,0,-8.35847,-10.17,-0.33,-14.97472825790926
C[C@H]1NNC(=O)C2=C1[C@@H](C)O[C@@H]2NC(=O)CS[C@@H]1NN=C(Cc2cccs2)N1C1CC1,C39776981_decoy,ADA,Decoy,0,-9.29321,-8.99,-1.8,-8.361088680128534
CCN1[C@@H](SCc2nc3ccccc3c(=O)[nH]2)NN[C@@H]1CC(=O)Nc1ccccc1,C39969674_decoy,ADA,Decoy,0,-9.63421,-9.18,-1.56,-11.889601457897005
Nc1c(NNC(=O)COc2ccccc2)ncnc1N1CCN(c2ccccc2F)CC1,C40795348_decoy,ADA,Decoy,0,-8.11746,-9.08,-0.75,-8.295817678650112
O=C(NC[C@H](c1cccs1)N1CCOCC1)NNC(=S)NC1CCCC1,C43101559_decoy,ADA,Decoy,0,-10.8633,-7.35,-0.58,-13.674700431887668
C[C@]12CC[C@@H](OC(=O)Nc3ccccc3)[C@@](C)(CO)[C@H]1CC[C@@H](O)[C@H]2CC(=O)N1CCC[C@H]1CO,C43553855_decoy,ADA,Decoy,0,-10.6671,-6.83,-1.74,-6.688420261403925
CNC(=O)c1ccc(/C=C/C(=O)Nc2ccc(NC(=O)NC[C@H]3CCCO3)cc2)cc1,C46543507_decoy,ADA,Decoy,0,-9.5356,-7.99,-1.3,-7.651389420980572
Cc1ccc(S(=O)(=O)Nc2ccc(F)cc2)cc1C(=O)NNC(=O)C(=O)NC(C)C,C46773293_decoy,ADA,Decoy,0,-8.56374,-8.58,-3.11,-7.453075659901901
CCCNc1ncc(Br)cc1S(=O)(=O)NCCS(N)(=O)=O,C50657252_decoy,ADA,Decoy,0,-10.795,-6.37,-2.07,-8.279566893211774
O=C(CNc1ccccc1C(=O)NCc1ccco1)NC(=O)NCC(F)(F)F,C58031239_decoy,ADA,Decoy,0,-7.45262,-8.61,-1.84,-10.111481787731734
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)Nc1ccc(C(=O)NC2CC2)cc1,C58582464_decoy,ADA,Decoy,0,-9.48491,-7.88,-1.2,-7.444352467721618
CC(C)N1C[C@@H](C(=O)Nc2ccc(C(=O)NCCc3nnc(N)s3)cc2)CC1=O,C20202743_decoy,ADA,Decoy,0,-11.6887,-8.37,-0.73,-8.70593587442351
Nc1c(C(=O)CSc2n[nH]c(/C=C/c3ccccc3)n2)c(=O)[nH]c(=O)n1C1CC1,C12884251_decoy,ADA,Decoy,0,-9.42697,-8.63,-2.28,-8.447120827656532
C/C(=N\NC(=[NH2+])S[C@H]1CC(=O)N(c2ccc(C(=O)[O-])cc2)C1=O)c1ccc(O)cc1,C16677695_decoy,ADA,Decoy,0,-10.6595,-8.36,-0.31,-11.125238223568532
C[C@H](NC(=O)Cc1ccc(S(=O)(=O)N2CCCC2)s1)c1ccc(NC(N)=O)cc1,C59894537_decoy,ADA,Decoy,0,-10.8861,-8.39,-2.18,-10.408275039465163
C[C@@H](O)CNS(=O)(=O)c1ccc(C(=O)NNc2c(F)c(F)c(F)c(F)c2F)cc1,C59922584_decoy,ADA,Decoy,0,-8.18178,-7.63,-1.12,-6.184609318219384
CC1(C)CC[C@H](NC(=O)CCNc2ccc(S(N)(=O)=O)cc2[N+](=O)[O-])c2ccccc21,C60207961_decoy,ADA,Decoy,0,-8.48244,-8.19,-0.81,-7.705958637054445
Cc1cc(CNC(=O)NCCCc2nn(-c3ccc(F)cc3)c(N)c2C#N)on1,C64230192_decoy,ADA,Decoy,0,-6.87337,-7.78,-3.0,-6.372652949917935
CCn1c(=O)[nH]c2cc([C@@H]3NO[C@@H]([C@H](NS(=O)(=O)c4ccccc4)C(C)C)N3)ccc21,C64891037_decoy,ADA,Decoy,0,-8.3171,-8.51,-1.01,-9.692173960130098
CCn1c(=O)[nH]c2cc([C@H]3NO[C@H]([C@H](NS(=O)(=O)c4ccccc4)C(C)C)N3)ccc21,C64891038_decoy,ADA,Decoy,0,-9.74972,-8.18,-1.6,-7.239843011280773
CNC(=O)[C@@H]1Cc2ccccc2CN1CC(=O)NCCc1ccc(S(N)(=O)=O)cc1,C30706113_decoy,ADA,Decoy,0,-9.95296,-9.28,-2.56,-8.417295993869935
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CCC[C@H](CCC(N)=O)C2)cc1,C66121467_decoy,ADA,Decoy,0,-9.71864,-7.72,-1.71,-11.00904598086212
CCNC(=O)C1(NC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CCCCC1,C67202812_decoy,ADA,Decoy,0,-9.47131,-7.42,-1.47,-7.547384220643291
COc1ccc([C@@H](Nc2cc(C)cc[nH+]2)c2ccc3ccc(C)nc3c2O)cc1OC,C02470492_decoy,ADA,Decoy,0,-11.3458,-9.23,-2.89,-9.329939867079842
C[C@H]([NH2+][C@H](C)c1cccs1)C(=O)Nc1ccc(S(=O)(=O)N2CCCCC2)cc1,C08185779_decoy,ADA,Decoy,0,-8.91876,-9.16,-0.86,-8.749432210870541
O=C(Nc1ccc(S(=O)(=O)NC2=[NH+]CCCCC2)cc1)C12CC3CC(CC(C3)C1)C2,C09452780_decoy,ADA,Decoy,0,-9.75688,-8.81,-0.83,-9.82020933946057
O=S(=O)(N[C@H]1Cc2ccccc2[C@@H]1[NH2+]Cc1ccc2c(c1)OCO2)c1ccccc1,C09508697_decoy,ADA,Decoy,0,-9.66498,-9.28,-1.58,-9.570528001406158
Cc1ccc(CNC(=O)c2sc3nc(C[NH+]4CCCCC4)[nH]c(=O)c3c2C)cc1,C09684839_decoy,ADA,Decoy,0,-9.96092,-9.55,-1.25,-9.02752512767444
CN(C)c1ccc(/C=C/C[NH+]2CCC([C@@]3(Cc4ccccc4)NC(=O)NC3=O)CC2)cc1,C11982666_decoy,ADA,Decoy,0,-11.3314,-8.38,-0.73,-11.501278678572236
O=C(NC1CCCC1)c1ccc(N2CCC([NH2+]Cc3ccc4c(c3)OCO4)CC2)cc1,C12135936_decoy,ADA,Decoy,0,-9.43173,-9.38,-1.9,-7.686695436789201
C[NH+](CC(=O)Nc1ccc(Cl)c(C(F)(F)F)c1)CC(=O)NC1(C#N)CCCCC1,C12918200_decoy,ADA,Decoy,0,-11.3751,-7.8,-1.83,-9.373625241605284
CN1CCc2cc([C@H](CNC(=O)C(=O)NC3CCCCC3)[NH+]3CCCCC3)ccc21,C13007900_decoy,ADA,Decoy,0,-9.10898,-8.13,-0.49,-7.704517140642444
CC[C@@H]1C[C@H](C(F)(F)F)n2nc([C@@H]3CCC[NH+]3Cc3cn[nH]c3C(C)(C)C)cc2N1,C19520773_decoy,ADA,Decoy,0,-8.20742,-8.29,-0.45,-7.301305385449069
O=c1cc(-c2ccccc2)oc2c(C[NH+]3CCCC3)c([O-])c(C[NH+]3CCCC3)c(O)c12,C20109702_decoy,ADA,Decoy,0,-9.34698,-5.26,-1.52,-5.05484887476735
O=c1c(-c2ccc(Br)cc2)coc2c(C[NH+]3CCN(CCO)CC3)c(O)ccc12,C20358498_decoy,ADA,Decoy,0,-9.72668,-5.52,-0.35,-5.566369457427044
O=C(NCCCN1CCC([NH+]2CCCCC2)CC1)c1ccc2c(c1)NC(=O)c1ccccc1S2,C20385085_decoy,ADA,Decoy,0,-9.81223,-9.03,-0.67,-7.504700504445524
CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=N[C@@H](c3ccccc3OC)[NH2+]2)c1O,C20763091_decoy,ADA,Decoy,0,-8.81111,-8.68,-1.77,-8.11707025913464
CC[NH+]1CCN(c2ccc(NC(=O)c3sc(NC(=O)C4CC4)cc3C)cc2C)CC1,C22424781_decoy,ADA,Decoy,0,-10.6254,-8.09,-2.02,-7.943766559808864
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)C[NH+]1CCN(CC(=O)Nc2ccccc2C(F)(F)F)CC1,C22915635_decoy,ADA,Decoy,0,-8.64859,-9.92,-1.46,-9.691336821369976
O=C(NC[C@@H]1CCCO1)c1ccccc1NC(=O)[C@H]1CCC[NH+](Cc2ccc(F)cc2)C1,C30942313_decoy,ADA,Decoy,0,-8.80049,-8.0,-2.59,-7.242537328461955
CC[NH+]1CCN(c2ccc(NC(=O)c3ccc(NC(=O)[C@H]4C[C@@H]4C)cc3)c(C)c2)CC1,C31522639_decoy,ADA,Decoy,0,-9.46425,-8.22,-0.77,-7.001607070733003
Cc1[nH]c(C(=O)N2CCC(CC(=O)NCCC[NH+]3CCCC[C@@H]3C)CC2)c(C)c1C,C33024418_decoy,ADA,Decoy,0,-8.72072,-8.65,-0.91,-7.993355316916507
C[NH+](C)CCNC(=O)[C@@H]1C[C@@H](c2ccccc2)CN(C(=O)Nc2ccc(Cl)cc2)C1,C34710862_decoy,ADA,Decoy,0,-9.18373,-9.47,-0.76,-8.861345999273343
Cc1sc2nc(SCc3ccc(F)cc3)nc(N3CC[NH+](CC(N)=O)CC3)c2c1C,C34759035_decoy,ADA,Decoy,0,-10.7469,-8.28,-1.57,-8.830235889859376
CC[C@@H](C)NC(=O)[C@H]1CSC2(CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)[NH2+]1,C35375175_decoy,ADA,Decoy,0,-10.033,-4.73,-0.72,-5.9865398551103
CC(C)c1ccc(-n2cc(-c3ccccc3)[nH]/c2=N\C(=O)C[NH2+]Cc2ccco2)cc1,C36039523_decoy,ADA,Decoy,0,-9.53844,-8.24,-1.55,-8.909013822987484
CCc1cc(=O)oc2cc(C)cc(O[C@@H](C)C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c12,C06660100_decoy,ADA,Decoy,0,-9.25316,-7.16,-2.17,-6.683956373129855
COc1ccccc1[C@@H](Nc1cccc[nH+]1)c1cc(C)sc1NC(=O)c1ccco1,C38546915_decoy,ADA,Decoy,0,-9.12939,-8.46,-1.73,-9.33851838807713
Cc1cccc(N[C@H](c2ccccn2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)[nH+]1,C38547404_decoy,ADA,Decoy,0,-7.82378,-8.68,-4.77,-6.600003378447637
O=C(NCc1ccsc1)c1ccc(CN2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)[nH]c1=O,C23362860_decoy,ADA,Decoy,0,-10.4111,-7.51,-1.03,-6.724374552630731
CC[C@H](C)CNC(=O)[C@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,C39606663_decoy,ADA,Decoy,0,-9.53925,-10.21,-0.24,-12.209205959683285
C[C@H](NC(=O)[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CC12CC[NH2+]CC2)C(C)(C)C,C39684401_decoy,ADA,Decoy,0,-8.11613,-9.88,-1.91,-11.529136430743344
CC(C)[NH+]1CCC(NC(=O)[C@H](C)SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)CC1,C12780742_decoy,ADA,Decoy,0,-10.8585,-8.59,-1.1,-8.18021783867819
CC(C)c1ccccc1NC(=O)[C@H](C)[NH+]1CCC(C(=O)Nc2ccc(Br)cn2)CC1,C40149610_decoy,ADA,Decoy,0,-8.97568,-8.16,-0.48,-7.988816838003089
O=C(NCCCN1CC[NH+](C2CCCCC2)CC1)c1n[nH]c2c1CCc1ccccc1-2,C22937632_decoy,ADA,Decoy,0,-9.22747,-9.29,-0.82,-8.676105211724819
O=C(C[NH+]1CCC(n2c(=O)[nH]c3ccccc32)CC1)N[C@@H](Cc1ccccc1)c1ccccc1,C45512709_decoy,ADA,Decoy,0,-9.91293,-10.28,-0.4,-9.68327761071708
C=CCNC(=O)CN1CC[NH+](CC(=O)Nc2c(Cl)cc(Cl)cc2Cl)CC1,C45631160_decoy,ADA,Decoy,0,-9.20659,-8.5,-1.61,-9.117487917396357
O=C1CCc2cc(S(=O)(=O)NC[C@@H](c3c(F)cccc3Cl)[NH+]3CCCC3)ccc2N1,C58791571_decoy,ADA,Decoy,0,-11.1588,-5.1,-0.9,-5.541218676977008
O=C(NC1CC[NH+](Cc2ccccc2)CC1)N(Cc1ccccc1O)C[C@@H]1CCCO1,C59122514_decoy,ADA,Decoy,0,-10.2506,-9.89,-0.9,-10.476570363770092
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)NC[C@]2([NH+](C)C)CCC[C@H](C)C2)cc1,C59890803_decoy,ADA,Decoy,0,-9.30682,-7.52,-1.95,-7.074112755102158
C[C@@H]1CCC[C@@](CNC(=O)c2ccc(S(=O)(=O)NC(C)(C)C)cc2)([NH+](C)C)C1,C59891013_decoy,ADA,Decoy,0,-9.31949,-8.08,-0.84,-8.285083732045072
O=C(NC[C@H](c1c(F)cccc1Cl)[NH+]1CCCC1)c1ccc(-c2ccco2)[nH]c1=O,C60166219_decoy,ADA,Decoy,0,-9.22469,-5.64,-2.15,-5.316247642283915
C[C@@H]1[NH+]=c2ccccc2=C1CCN/C=C1\C(=O)N([C@H]2Nc3ccccc3S2)N=C1C(F)(F)F,C63110755_decoy,ADA,Decoy,0,-7.96095,-10.15,-2.47,-7.7002256858141
NC(=O)[C@H]1CN(C(=O)CCC2=c3cc(F)ccc3=[NH+][C@@H]2c2ccc(F)cc2)c2ccccc2O1,C63182406_decoy,ADA,Decoy,0,-7.72181,-9.2,-1.62,-7.370908007262767
O=C(CS[C@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1C1CC1)Nc1ccc2c(c1)CCC2,C39939640_decoy,ADA,Decoy,0,-9.97505,-5.87,-1.1,-5.58352899489054
C[C@@H]1[NH+]=c2ccccc2=C1CCN/C=C1/C(=O)N([C@@H]2Nc3ccccc3S2)N=C1C(F)(F)F,C63110753_decoy,ADA,Decoy,0,-10.2339,-9.16,-1.43,-8.858573767391716
O=C(NC[C@H]1C=c2ccccc2=[NH+]1)C1=CNN2C(C(F)(F)F)=CC(c3cccs3)=N[C@H]12,C63538110_decoy,ADA,Decoy,0,-8.71938,-9.0,-0.56,-10.105607122597853
O=S(=O)(c1ccccc1)N1CCC2(CC1)NCC[NH+]=C2NCc1ccc(F)c(Cl)c1,C65074679_decoy,ADA,Decoy,0,-9.88912,-10.43,-1.25,-9.77983460208047
CCc1ccc(S(=O)(=O)N2CCC3(CC2)NCC[NH+]=C3NCc2cc(F)cc(F)c2)cc1,C65074867_decoy,ADA,Decoy,0,-9.56569,-5.92,-1.49,-5.4448670429140575
Cc1ccc(CNC2=[NH+]CCNC23CCN(S(=O)(=O)c2cc(C)cc(C)c2)CC3)cc1,C65074889_decoy,ADA,Decoy,0,-10.1637,-7.23,-1.75,-6.831017035270226
CCOc1cccc([C@@H]2CC(c3ccc(OC)cc3)=NC3(CC[NH+](CC)CC3)N2)c1O,C65298373_decoy,ADA,Decoy,0,-9.97472,-9.31,-0.58,-8.644345295161212
CCOc1ccc(C2=NC3(CC[NH+](CC)CC3)N[C@@H](c3cccc(OCC)c3O)C2)cc1,C65298390_decoy,ADA,Decoy,0,-10.0508,-7.72,-1.37,-8.467503165465711
C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1cc(C(F)(F)F)ccc1N1CC[NH+](C)CC1,C65520836_decoy,ADA,Decoy,0,-8.10333,-9.17,-2.23,-8.017353936441035
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCc2ccc(S(N)(=O)=O)cc2)cc1,C02660216_decoy,ADA,Decoy,0,-10.0378,-8.69,-2.07,-8.989107105598135
C[C@H](NC(=S)Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)[C@@H]1CCCO1,C05041625_decoy,ADA,Decoy,0,-10.2498,-7.37,-1.25,-7.747831966898599
CCOc1cc(C(=O)NCc2ccc(S(N)(=O)=O)cc2)cc(OCC)c1OCC,C05718502_decoy,ADA,Decoy,0,-10.5675,-5.83,-2.24,-8.013540477491706
C=CCO[C@H]1C[C@](OCc2ccccc2C#N)(C(=O)NCC2CC2)C[C@@H](O)[C@H]1O,C06773143_decoy,ADA,Decoy,0,-10.0789,-6.43,-1.59,-7.07017164453396
CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)NCc1c(C)cc(C)[nH]c1=O,C09154533_decoy,ADA,Decoy,0,-9.48504,-8.09,-2.33,-9.501537302616812
CCc1ccccc1NS(=O)(=O)c1ccc2[nH]cc(C(=O)NCCOC)c(=O)c2c1,C09680044_decoy,ADA,Decoy,0,-8.95486,-9.6,-1.71,-8.738583403570635
O=C(COC(=O)CNC(=O)c1ccccc1)NCC(=O)Nc1ccc(F)c(F)c1F,C11081042_decoy,ADA,Decoy,0,-7.31033,-9.3,-0.41,-13.809868245363926
O=c1[nH]c2cc3c(cc2cc1CN(CCO)C(=S)NCCc1ccccc1)OCCO3,C06446451_decoy,ADA,Decoy,0,-9.79963,-8.29,-2.01,-9.758845263094251
CCn1ncc(NC(=S)NNC(=O)Cn2nc(C(F)(F)F)c(Br)c2C)c1C,C02802467_decoy,ADA,Decoy,0,-8.69363,-8.11,-1.24,-10.353439169629818
CCCc1cc(=O)n2c(n1)SC[C@H]2CC(=O)NCCc1ccc(S(N)(=O)=O)cc1,C14033571_decoy,ADA,Decoy,0,-9.89936,-8.78,-1.17,-7.750154535369874
CCOC(=O)c1[nH]c(C)c(C(=O)Cn2c(C(F)(F)F)ccc(C(N)=O)c2=O)c1C,C14153299_decoy,ADA,Decoy,0,-7.44407,-8.49,-0.92,-7.416130636033781
C[C@@H](NC(=O)CSc1nnc(C2CC2)n1C1CC1)c1ccc(S(N)(=O)=O)cc1,C14161176_decoy,ADA,Decoy,0,-9.35608,-8.18,-0.67,-8.800051279821474
CC(=O)Nc1ccc(S(=O)(=O)NCc2ccc(C(=O)NCc3ccco3)cc2)cc1,C14226800_decoy,ADA,Decoy,0,-9.82407,-8.5,-2.67,-10.01269464638516
CSCC[C@H](NC(N)=O)C(=O)N1CCN(S(=O)(=O)c2ccc(C(C)C)cc2)CC1,C14244018_decoy,ADA,Decoy,0,-9.76271,-8.1,-0.97,-9.039728635919952
Cc1nn(-c2ccccc2)c(C)c1/C=C/C(=O)NNC(=S)NC[C@@H]1CCCO1,C15706947_decoy,ADA,Decoy,0,-10.0509,-7.61,-0.58,-7.859522353118054
CC(=O)NCc1ccc(C(=O)N/C(=N/c2cccc(F)c2)NC[C@H]2CCCO2)cc1,C15828162_decoy,ADA,Decoy,0,-9.22777,-7.49,-1.67,-6.6854269715204575
C[C@H](OC(=O)C1CCN(/C=C/C(=O)C(F)(F)F)CC1)C(=O)Nc1ccc(C(N)=O)cc1,C21227251_decoy,ADA,Decoy,0,-8.0067,-8.9,-1.88,-7.492688770874251
O=C(C[C@@H](NC(=O)c1ccccc1)c1ccccc1)NCCCN1C(=O)NC2(CCCC2)C1=O,C21560585_decoy,ADA,Decoy,0,-8.221,-9.12,-1.9,-7.882899366393777
CCCCNC(=O)C1CCC(Cn2c(=O)c3sccc3n(CC(N)=O)c2=O)CC1,C21921581_decoy,ADA,Decoy,0,-8.79181,-5.89,-1.2,-6.041887006226308
O=C(Cn1cc(C(F)(F)F)cc(Cl)c1=O)NNC(=S)NC[C@H]1CCCO1,C22617626_decoy,ADA,Decoy,0,-7.78505,-8.24,-2.72,-7.849900764223679
CNS(=O)(=O)Cc1ccc(CNC(=O)CCNC(=O)c2ccc(Cl)cc2)cc1,C24716277_decoy,ADA,Decoy,0,-8.67338,-8.87,-2.11,-8.457405517883839
Cc1ccc2cc(CN(CCO)C(=S)NCCCN3CCOCC3)c(=O)[nH]c2c1,C26100240_decoy,ADA,Decoy,0,-10.477,-8.61,-0.82,-9.142845178575053
N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1C[C@H](O)NCc1cccc(Cl)c1,C28525026_decoy,ADA,Decoy,0,-11.5145,-8.64,-2.64,-9.721009117344796
CC(C)CC(=O)OCC1=CO[C@@H](OC(=O)CC(C)C)[C@H]2[C@@H]1C[C@@H](O)[C@@]2(O)CO,C31169143_decoy,ADA,Decoy,0,-9.98109,-8.47,-3.05,-9.91619558083896
CCCCNC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccc(C)o1)C(=O)[C@@H]1CCC(=O)N1,C36601059_decoy,ADA,Decoy,0,-9.31696,-9.03,-2.0,-9.896611226451084
O=c1[nH]c2cc3c(cc2cc1CN(CCCO)C(=S)NCc1ccco1)OCO3,C13555098_decoy,ADA,Decoy,0,-10.4885,-8.08,-1.6,-9.323334726242878
CC(C)C[C@H](NC(=O)c1ccc(OC2CCN(C(=O)C3CC3)CC2)cc1)C(N)=O,C13593165_decoy,ADA,Decoy,0,-9.3821,-8.92,-1.06,-8.765312479475998
CSCC[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NNC(=O)c1ccncc1,C15272761_decoy,ADA,Decoy,0,-10.3065,-6.21,-1.83,-6.799895715515092
O=C(CCc1csc(NC(=O)c2ccc[nH]c2=O)n1)NCCOc1ccc(F)cc1,C38517092_decoy,ADA,Decoy,0,-8.66566,-7.95,-2.24,-8.62015930716677
O=C([O-])CCCCCNC(=O)[C@H]1CN(C(=O)c2ccc(C(F)(F)F)cc2)CC12CC[NH2+]CC2,C39660003_decoy,ADA,Decoy,0,-8.66568,-5.49,-1.14,-6.175112915569685
CCc1ccc(C(=O)N2C[C@@H](C(=O)NCCCCCC(=O)[O-])C3(CC[NH2+]CC3)C2)cc1,C39660022_decoy,ADA,Decoy,0,-7.75014,-7.08,-0.53,-6.375496983347772
O=C([O-])CCCCCNC(=O)[C@H]1CN(C(=O)c2cc(F)cc(F)c2)CC12CC[NH2+]CC2,C39660025_decoy,ADA,Decoy,0,-8.59443,-8.92,-2.15,-10.11270452358369
O=C([O-])CCCCCNC(=O)[C@H]1CN(C(=O)[C@H]2CC=CCC2)CC12CC[NH2+]CC2,C39660164_decoy,ADA,Decoy,0,-9.31233,-8.19,-0.69,-8.281291485637325
C[C@H](Oc1ccccc1)C(=O)N1C[C@@H](C(=O)NCCCC(=O)[O-])C2(CC[NH2+]CC2)C1,C39663471_decoy,ADA,Decoy,0,-8.84588,-7.49,-3.01,-7.3611248963212015
CCOc1ccc(/C(C)=N/Nc2cccc(C(=O)[O-])c2)cc1C[n+]1ccsc1N,C39709766_decoy,ADA,Decoy,0,-9.40233,-8.76,-1.0,-8.335925338896805
O=S1(=O)CC[C@H](CNC(=S)Nc2cccc(OC(=S)NC[C@H]3CCS(=O)(=O)C3)c2)C1,C40166987_decoy,ADA,Decoy,0,-11.5359,-7.29,-0.63,-12.7244745215012
CCNC(=O)COc1ccc(NC(=O)C(=O)NC[C@H]2Cc3ccccc3O2)cc1,C41848240_decoy,ADA,Decoy,0,-8.6492,-8.11,-1.13,-7.607607897581635
CCN(CCNC(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1)c1ccccc1C,C46866763_decoy,ADA,Decoy,0,-8.46221,-7.46,-0.59,-7.820895538999406
CCS(=O)(=O)NCCCNC(=O)C(=O)Nc1ccccc1OC(F)(F)F,C51845080_decoy,ADA,Decoy,0,-7.6851,-7.2,-2.78,-9.661666050101434
O=c1[nH]c2cc3c(cc2cc1CN(CCCO)C(=S)NC[C@@H]1CCCO1)OCO3,C04160440_decoy,ADA,Decoy,0,-9.61918,-8.07,-0.49,-8.552819897120504
NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCCSc2ccccc2)o1,C47878869_decoy,ADA,Decoy,0,-9.03313,-8.56,-1.43,-9.33138090789347
CCN(CCCNC(=O)[C@@H](NC(=O)Nc1ccccc1)C(C)C)S(C)(=O)=O,C60398411_decoy,ADA,Decoy,0,-7.63641,-5.95,-1.17,-5.993705409343867
CCS(=O)(=O)NCCCNC(=O)CCn1c(=S)[nH]c2ccccc2c1=O,C51462047_decoy,ADA,Decoy,0,-7.29567,-6.94,-0.84,-6.708357318783436
Cc1cc([C@@H](C)NC(=O)NCCS(=O)(=O)NCc2ccc(F)cc2)c(C)o1,C65497740_decoy,ADA,Decoy,0,-8.08358,-8.56,-0.71,-10.935434675534683
CN(C)C(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1,C66093098_decoy,ADA,Decoy,0,-8.35556,-7.37,-1.58,-6.631458261268666
CCCNC(=O)CCNC(=O)Nc1cccc2c1CCN(S(=O)(=O)CC)C2,C66174283_decoy,ADA,Decoy,0,-8.31939,-7.52,-1.63,-7.448179479907995
O=C(CCNS(=O)(=O)c1ccccc1F)NNC(=O)Cc1ccccc1F,C66840025_decoy,ADA,Decoy,0,-7.83612,-9.46,-3.9,-9.711662783221836
C[C@H](CC#N)Sc1ccccc1NC(=O)C(=O)NCCCNS(C)(=O)=O,C66984929_decoy,ADA,Decoy,0,-11.3903,-5.56,-1.46,-7.521139067475715
COCCOc1ncccc1NC(=O)C(=O)NC[C@@]1(O)CCCc2ccccc21,C67000367_decoy,ADA,Decoy,0,-9.03558,-7.24,-1.16,-6.758326112299634
NC(=O)c1ccc(OCC(=O)Oc2ccc(O[C@@H]3CCCCNC3=O)cc2)cc1,C67635174_decoy,ADA,Decoy,0,-9.67804,-8.58,-0.71,-8.613869553252414
O=S1(=O)CC[C@H]([NH2+]C[C@H](O)CO)C1,C04785978_decoy,ADA,Decoy,0,-6.27924,-4.97,0.1,-5.230991977216654
[NH3+]C1CCN(C[C@H](O)c2ccc3c(c2)OCCO3)CC1,C19936062_decoy,ADA,Decoy,0,-8.34147,-7.75,-0.75,-6.17695068772106
[NH3+][C@@H](c1ccc2c(c1)CC(=O)N2)[C@@H]1COc2ccccc2O1,C21304341_decoy,ADA,Decoy,0,-7.87764,-7.78,-1.48,-6.086323668648678
NN1C(=[NH2+])S[C@@H]2CS(=O)(=O)C[C@@H]21,C03124783_decoy,ADA,Decoy,0,-6.65602,-5.09,-0.9,-4.86399254362508
[NH3+]C1CC(NC(=O)CN2CCCC2=O)C1,C36236953_decoy,ADA,Decoy,0,-6.90545,-6.0,-0.29,-5.94777564610694
CC(=O)NCC(=O)N1C[C@H]2CC[C@@H]([NH3+])C[C@H]2C1,C36262035_decoy,ADA,Decoy,0,-6.05889,-6.96,-1.53,-5.934436385218959
Cn1ccc(S(=O)(=O)NC2CC([NH3+])C2)c1,C36265931_decoy,ADA,Decoy,0,-6.75364,-6.43,-0.89,-6.069168235778861
[NH3+]CCNC(=O)C(=O)N1CCC[C@@H]2CCCC[C@@H]21,C36826172_decoy,ADA,Decoy,0,-6.88354,-7.06,-1.49,-8.024154623907144
O=C(N[C@@H]1CCCCNC1=O)[C@@H]1CCC[NH2+]C1,C37019193_decoy,ADA,Decoy,0,-6.86644,-7.0,-0.59,-5.789950625936049
[NH3+]CCC(=O)NC1CCN(C(=O)C2CC2)CC1,C37042770_decoy,ADA,Decoy,0,-7.54868,-6.51,0.06,-7.717080951402039
C[C@@H](C[NH2+][C@@H]1CCS(=O)(=O)C1)C(N)=O,C37227107_decoy,ADA,Decoy,0,-6.29927,-5.92,0.08,-6.3194803167738725
C[C@@H](C[NH2+][C@H]1CCS(=O)(=O)C1)C(N)=O,C37227109_decoy,ADA,Decoy,0,-6.138,-5.71,-0.76,-6.352753950121768
C[C@@H]1CCCCN1C(=O)C(=O)NCC[NH3+],C37242717_decoy,ADA,Decoy,0,-5.837,-6.0,-0.28,-8.38305437968405
C[C@@H]1CC[C@@H](C(=O)N(C)CC(N)=O)C[NH2+]1,C37269224_decoy,ADA,Decoy,0,-5.80182,-6.69,-0.6,-7.042981420301635
O=C1CC[C@@H](C(=O)NC2CC[NH2+]CC2)N1,C37382802_decoy,ADA,Decoy,0,-6.58608,-6.54,-0.08,-5.841078988758431
NC(=O)[C@@H]1CCCN(C(=O)C[NH2+]C2CC2)C1,C37395052_decoy,ADA,Decoy,0,-6.41333,-5.48,-0.5,-5.538480915383554
CC(=O)N1CCC(NC(=O)[C@](C)([NH3+])C2CC2)CC1,C37615513_decoy,ADA,Decoy,0,-6.6612,-5.14,-0.6,-4.336988573064382
[NH3+]C1CCC(C(=O)N2CCN(CCO)CC2)CC1,C37626188_decoy,ADA,Decoy,0,-8.35007,-7.06,-0.0,-7.446874263407342
NC(=O)CC1CCN(C(=O)[C@H]2CSC[NH2+]2)CC1,C37821144_decoy,ADA,Decoy,0,-7.50743,-6.59,-0.16,-10.277407908574848
NC(=O)[C@H]([C@H]1CCOC1)N1CC[NH2+]CC1,C37945665_decoy,ADA,Decoy,0,-6.34331,-5.7,0.41,-6.100972816269725
O=C1CC[C@@H](C(=O)NC2C[C@H]3CC[C@@H](C2)[NH2+]3)N1,C40740673_decoy,ADA,Decoy,0,-6.91465,-7.65,-0.23,-6.551995146351206
Cn1cc(NC(=O)C(C)(C)[NH3+])ccc1=O,C40922946_decoy,ADA,Decoy,0,-5.59678,-6.38,-0.17,-5.016429745959417
[NH3+]CCNC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1,C41323617_decoy,ADA,Decoy,0,-6.70039,-7.47,-0.74,-8.848567844067674
C=C[C@H]1C[NH+]2CC[C@@H]1C[C@@H]2CNC(=O)C(N)=O,C43528099_decoy,ADA,Decoy,0,-7.33518,-7.49,-1.02,-7.35091975778236
[NH3+][C@@H]1C[C@H]1NS(=O)(=O)c1cncc(F)c1,C44261821_decoy,ADA,Decoy,0,-6.12354,-6.25,-0.69,-5.562177924377192
CNC(=O)[C@H]1CCCN1C(=O)C(C)(C)[NH3+],C44375145_decoy,ADA,Decoy,0,-5.27192,-5.76,0.2,-4.403714651699465
CC(=O)NCC(=O)NC[C@H]1CCC[NH2+]C1,C44502007_decoy,ADA,Decoy,0,-5.9609,-5.55,-0.25,-4.848404043465942
[NH3+]CC1CCN(C(=O)[C@@H]2CSC(=O)N2)CC1,C44512745_decoy,ADA,Decoy,0,-8.81847,-4.44,-0.5,-4.470903985272327
[NH3+]CC1(C(=O)N2CCC[C@H]2CO)CCOCC1,C44763227_decoy,ADA,Decoy,0,-6.4616,-5.36,-0.21,-4.62537006579584
CC(C)(C)[NH+]1CCN(C[C@](C)([NH3+])C(=O)[O-])CC1,C45279658_decoy,ADA,Decoy,0,-7.56871,-6.09,-0.55,-6.044763713295946
CN[C@H](C#N)C[NH+]1C[C@@H](C(N)=O)CC[C@H]1C,C45314698_decoy,ADA,Decoy,0,-6.60935,-6.31,-0.01,-7.445724469968922
CNC(=O)C1CCN(C(=O)[C@H]2C[C@H]2[NH3+])CC1,C50459042_decoy,ADA,Decoy,0,-6.41961,-6.2,-0.43,-5.807349890730547
C[C@]1(NC(=O)[C@@H]2C[C@@H]2[NH3+])CCS(=O)(=O)C1,C50465431_decoy,ADA,Decoy,0,-6.05068,-5.07,-0.11,-3.848746029251532
[NH3+]CC1(C(=O)NC[C@H]2CCS(=O)(=O)C2)CCCC1,C50602520_decoy,ADA,Decoy,0,-7.40811,-7.22,-0.41,-6.982137489982363
CC(=O)NCCNC(=O)[C@@H]1[NH2+]CCC[C@H]1C,C51792824_decoy,ADA,Decoy,0,-6.08948,-4.6,-0.3,-3.91779222978163
C[NH2+]CCNC(=O)[C@@H]1CSC(=O)N1,C54244349_decoy,ADA,Decoy,0,-6.30953,-5.21,-0.65,-5.6428632260735
C[C@H](NC(=O)[C@H]1CCCC[C@@H]1[NH3+])C(=O)N(C)C,C55087732_decoy,ADA,Decoy,0,-6.67031,-5.45,-0.33,-4.775622909697505
[NH3+]C1CCN(CC(=O)NC[C@@H]2CCCO2)CC1,C36754646_decoy,ADA,Decoy,0,-6.03636,-5.61,-1.39,-6.013883890110974
[NH3+]C1CCN(Cc2nc3ccsc3c(=O)[nH]2)CC1,C36754835_decoy,ADA,Decoy,0,-8.34003,-7.12,-1.63,-6.024122875223293
[NH2+]=C(NC1CC1)NC1CCS(=O)(=O)CC1,C52042116_decoy,ADA,Decoy,0,-9.48483,-4.31,0.1,-4.781942174360036
C[C@@H](NC(=O)[C@@H]1CCC[C@H]([NH3+])C1)C(=O)N(C)C,C55087738_decoy,ADA,Decoy,0,-6.5759,-5.2,-0.27,-4.5481314658937615
CC1(C)Cc2nc(N3CCNC(=O)CC3)sc2[C@H]([NH3+])C1,C62101924_decoy,ADA,Decoy,0,-8.76045,-8.0,-0.71,-6.007170292691101
[NH3+][C@@H]1CCCc2nc(N3CCNC(=O)CC3)sc21,C62101927_decoy,ADA,Decoy,0,-8.60329,-8.76,-0.53,-11.631489148846018
O=C(NCC[C@@H]1CCCO1)[C@H]1C[NH2+]CCN1,C62813319_decoy,ADA,Decoy,0,-6.47311,-6.08,-0.4,-6.530493984223999
C[C@@H]1CN[C@@H](C(=O)NC2CCOCC2)C[NH2+]1,C62814590_decoy,ADA,Decoy,0,-6.45475,-6.18,-0.84,-6.943989698453155
CC1(C(=O)N[C@@H]2CCCNC2=O)CC[NH2+]CC1,C62841436_decoy,ADA,Decoy,0,-6.41888,-5.47,0.24,-4.621081139603811
C[C@@]1(C(=O)N2CCC[C@H]2C(N)=O)CC[NH2+]C1,C62889949_decoy,ADA,Decoy,0,-6.01018,-6.41,-0.13,-6.247148968032334
NC(=[NH2+])CCN1CC[C@@H](N2CCOCC2)C1,C62980702_decoy,ADA,Decoy,0,-6.72937,-6.29,-0.16,-6.274395491147217
C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)[C@@H]1CSC(=O)N1,C63193705_decoy,ADA,Decoy,0,-7.86713,-6.42,0.11,-7.1602667442879575
C[C@H]([NH3+])[C@H]1CCCCN1[C@@H]1CC(=O)NC1=O,C63196386_decoy,ADA,Decoy,0,-5.96828,-6.83,0.36,-5.1337633779423015
[NH2+]=C1N[C@]2(O)C(=O)c3ccccc3[C@@]2(O)N1,C04523571_decoy,ADA,Decoy,0,-8.69639,-8.22,0.39,-6.659195141563173
C[C@@H]([NH2+][C@@H]1CCS(=O)(=O)C1)C(=O)NC(N)=O,C20307362_decoy,ADA,Decoy,0,-7.62905,-6.18,0.0,-6.546655811779802
NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@@H](O)C[NH2+]1,C20434624_decoy,ADA,Decoy,0,-6.07714,-6.7,0.16,-9.817949353067656
CC1(C)O[C@@H]2O[C@H]([C@@H](O)C[NH3+])[C@@H](O)[C@@H]2O1,C22048291_decoy,ADA,Decoy,0,-7.06128,-6.65,-0.4,-6.438072961373785
NC(=O)CN1C(=O)COc2ccc([C@H]([NH3+])C3CC3)cc21,C33501291_decoy,ADA,Decoy,0,-8.18829,-7.56,-0.55,-7.354920836213441
NNc1ncccc1S(=O)(=O)N[C@@H]1C[NH+]2CCC1CC2,C35358461_decoy,ADA,Decoy,0,-10.5454,-6.91,-0.96,-8.320390583981204
O=C(Nc1nc2c(s1)C[NH2+]CC2)c1c[nH]c(=O)[nH]1,C36233011_decoy,ADA,Decoy,0,-7.42806,-5.44,-0.69,-5.321064778999029
[NH3+][C@H]1C[C@@H]1NS(=O)(=O)c1ccc2c(c1)CC(=O)N2,C36264552_decoy,ADA,Decoy,0,-8.34489,-7.52,-0.4,-6.505846231000163
C[C@H]1CCC[C@H](C(=O)NCCS(N)(=O)=O)[NH2+]1,C36746088_decoy,ADA,Decoy,0,-8.66897,-5.91,-1.31,-5.36361371098471
NC(=O)[C@H]1CCCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1,C36907024_decoy,ADA,Decoy,0,-6.48951,-5.63,0.43,-4.803138494893103
C[C@H](NC(=O)[C@@H](C)[NH3+])c1ccc2[nH]c(=O)[nH]c2c1,C37000855_decoy,ADA,Decoy,0,-8.07666,-7.3,-0.9,-5.939455504090479
O=C1CCc2cc(NC(=O)[C@H]3C[C@@H](O)C[NH2+]3)ccc2N1,C37002783_decoy,ADA,Decoy,0,-8.02251,-8.09,0.07,-6.584650043856376
C[C@@H]([NH3+])C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2,C37021101_decoy,ADA,Decoy,0,-7.83373,-7.23,-0.48,-6.096858158133809
NC(=O)CN(C(=O)[C@H]1CCC(=O)N1)[C@@H]1CC[NH2+]C1,C37540477_decoy,ADA,Decoy,0,-6.45718,-6.54,-0.36,-6.5961266139348265
NC(=O)C[C@H]([NH3+])C(=O)Nc1cc2c(cc1Cl)NC(=O)CO2,C37628244_decoy,ADA,Decoy,0,-8.00477,-8.74,-1.22,-8.288748683015237
CC(=O)N1CCC(NC(=O)[C@H]([NH3+])CC(N)=O)CC1,C37629833_decoy,ADA,Decoy,0,-7.09922,-7.08,-0.51,-8.910888497459133
NC(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCC[NH2+]2)C1,C37820854_decoy,ADA,Decoy,0,-8.30103,-7.18,-0.16,-8.781510707035048
NC(=O)NC[C@H]1CCCN(C(=O)C2CC[NH2+]CC2)C1,C37820855_decoy,ADA,Decoy,0,-8.43952,-7.46,-0.42,-7.885517201053013
NC(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]C2)C1,C37820861_decoy,ADA,Decoy,0,-8.71341,-6.75,-0.63,-7.010492857486275
CC[C@@H]([NH3+])C(=O)N1CCC[C@H](CNC(N)=O)C1,C37820926_decoy,ADA,Decoy,0,-8.27348,-6.28,-1.16,-6.712390594790195
C[C@H]1CC[C@H](C(N)=O)CN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1,C37821574_decoy,ADA,Decoy,0,-6.85126,-7.14,-0.78,-6.46557444618456
NC(=O)C[NH+]1CCC(NC(=O)C2=NNC(=O)CC2)CC1,C37981502_decoy,ADA,Decoy,0,-7.59333,-7.36,0.13,-7.406738821546407
[NH3+][C@H]1CCCC[C@H]1NS(=O)(=O)c1cn[nH]c1,C38049903_decoy,ADA,Decoy,0,-6.06434,-6.58,0.04,-5.770584569232455
[NH3+][C@@H]1CCCC[C@H]1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O,C38050242_decoy,ADA,Decoy,0,-7.43096,-7.95,0.1,-7.622546075646199
CC1(C)O[C@H]2O[C@@H]([C@H](O)C[NH3+])[C@H](O)[C@@H]2O1,C39935768_decoy,ADA,Decoy,0,-6.33067,-4.54,-0.26,-3.3813919300522883
NS(=O)(=O)c1ccccc1NC(=O)[C@H]1CCC[NH2+]1,C40378013_decoy,ADA,Decoy,0,-8.36738,-7.04,-0.41,-6.8558060426740814
NC(=O)NC(=O)CC[NH+]1CCC[C@@H]1C(=O)N1CCNCC1,C40508435_decoy,ADA,Decoy,0,-7.35588,-6.76,-0.38,-6.7887340219031085
CC1(C)COCCN1C(=O)[C@@H]([NH3+])CC(N)=O,C42462984_decoy,ADA,Decoy,0,-5.12214,-6.19,-0.63,-5.455273602178338
[NH3+]C[C@@H]1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1,C44528996_decoy,ADA,Decoy,0,-7.27161,-7.03,0.55,-5.907291158373565
C[NH+]1CCC[C@H](CNC(=O)C2(/C(N)=N/O)CCOCC2)C1,C44792950_decoy,ADA,Decoy,0,-8.84251,-7.89,-0.35,-10.016991611931772
NC(=O)NC(=O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1,C49332670_decoy,ADA,Decoy,0,-7.49935,-6.89,-0.34,-7.459216060794427
CC(C)NC(=O)NC(=O)CN1CC[C@@H]([NH3+])C1,C50242827_decoy,ADA,Decoy,0,-7.23897,-5.13,-0.52,-4.9798838957683405
C=CCNC(=O)NC(=O)CN1CC[C@@H]([NH3+])C1,C50243295_decoy,ADA,Decoy,0,-6.31226,-6.44,0.08,-7.019357542420285
C[C@H]([NH3+])c1ccc(S(=O)(=O)N[C@H]2CCCNC2=O)cc1,C50398133_decoy,ADA,Decoy,0,-8.48969,-7.85,-2.26,-7.17347809685454
NS(=O)(=O)N1CCN(C(=O)[C@H]2C[C@@H]2[NH3+])CC1,C50464289_decoy,ADA,Decoy,0,-7.68165,-7.05,-0.67,-8.021094320983488
C[C@H]1CCC[NH2+][C@H]1C(=O)NCCS(N)(=O)=O,C51792819_decoy,ADA,Decoy,0,-8.5872,-6.11,0.42,-6.975374136702752
C[NH2+][C@@H](C)C(=O)N1CCC[C@H](CNC(N)=O)C1,C54075411_decoy,ADA,Decoy,0,-6.64433,-5.88,-3.4,-6.098917459995019
NC(=O)NC[C@@H]1CCCN(C(=O)C[C@H]2CCC[NH2+]C2)C1,C54308155_decoy,ADA,Decoy,0,-9.3294,-7.6,-0.32,-9.129314335038432
C[C@H](C[NH3+])C(=O)N1CCC[C@H](CNC(N)=O)C1,C54341821_decoy,ADA,Decoy,0,-7.9672,-5.89,-0.68,-7.337033760013139
C[C@@H]1CN(C(=O)[C@H]([NH3+])CC(N)=O)C[C@H](C)O1,C37481640_decoy,ADA,Decoy,0,-5.56238,-6.15,-0.66,-5.640287003478862
NC(=O)CNC(=O)[C@H]1CCCN1C1CC[NH2+]CC1,C38042847_decoy,ADA,Decoy,0,-6.60068,-6.28,0.14,-5.635576769335731
Cc1[nH]c(N2CCC[C@H](C(N)=O)C2)c(N)[nH+]1,C42871377_decoy,ADA,Decoy,0,-9.02151,-7.21,-0.01,-8.043359630503696
NNC(=O)C1=CNN2C1=[NH+]CC[C@@H]2C(F)(F)F,C15933459_decoy,ADA,Decoy,0,-7.79555,-7.73,-0.52,-7.13992042854324
C[C@H](C(=O)NC(N)=O)[NH+]1CCC[C@@H]1[C@@H]1CCCN1,C51360173_decoy,ADA,Decoy,0,-6.96465,-6.82,-1.64,-5.800481753738678
[NH3+][C@H](c1ccc2c(c1)NC(=O)CC(=O)N2)[C@@H]1CCCOC1,C62230686_decoy,ADA,Decoy,0,-8.07948,-8.26,0.32,-7.173172397101367
C[C@@H]1CN[C@H](C(=O)N2CCCC[C@@H]2C(N)=O)C[NH2+]1,C62815068_decoy,ADA,Decoy,0,-6.42172,-7.75,0.1,-8.492938770646743
C[C@@H]1CN[C@H](C(=O)NC(C)(C)C(N)=O)C[NH2+]1,C62815372_decoy,ADA,Decoy,0,-6.42039,-6.11,0.16,-6.4924084369814645
[NH3+][C@@H]1CCC[C@@H]1NC(=O)c1cc([N+](=O)[O-])c[nH]1,C63172854_decoy,ADA,Decoy,0,-5.69121,-7.5,0.32,-6.725334665022299
[NH3+][C@@H]1CCCCC[C@H]1NC(=O)c1c[nH]c(=O)[nH]c1=O,C63212471_decoy,ADA,Decoy,0,-6.58299,-6.86,0.07,-6.652489445010986
[NH3+][C@H]1CCCCC[C@H]1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O,C63213314_decoy,ADA,Decoy,0,-8.6077,-7.52,-0.25,-7.408871147744539
O=C1NC(=O)[C@@H](CSSC[C@H]2NC(=O)NC2=O)N1,C01596728_decoy,ADA,Decoy,0,-7.25963,-7.0,-0.55,-6.407790414637884
O=C1NC(=O)C(=Cc2ccc(O)c(O)c2)C(=O)N1,C06765351_decoy,ADA,Decoy,0,-7.49038,-7.09,-0.05,-4.833795361431355
O=C(Nc1ccc(O)cc1)c1c[nH]c(=O)[nH]c1=O,C20246015_decoy,ADA,Decoy,0,-5.05242,-7.72,-0.05,-5.673202852421632
N#Cc1c(N)cc(N)nc1SCCN1C(=O)CCC1=O,C23103742_decoy,ADA,Decoy,0,-8.05116,-6.02,-0.44,-7.163142673919296
Cc1nnc(CSc2nc(N)cc(N)n2)o1,C31819354_decoy,ADA,Decoy,0,-7.46805,-6.34,-0.3,-7.65896430598955
C[C@@H]([NH2+]CC(=O)NC(=O)NC1CCCC1)C(=O)[O-],C35388264_decoy,ADA,Decoy,0,-6.11963,-6.85,-0.45,-7.061574299558669
[NH3+][C@H]1CC[C@@H]2CN(C(=O)c3cc(=O)[nH]c([O-])n3)C[C@@H]2C1,C36262169_decoy,ADA,Decoy,0,-6.63743,-5.37,-0.09,-4.131144393458723
Nc1n[nH]cc1S(=O)(=O)NC1CCOCC1,C37471658_decoy,ADA,Decoy,0,-6.60161,-4.97,-0.25,-3.9876263383312542
O=C(Nc1ccc(C#CCO)cc1)c1c[nH]c(=O)[nH]c1=O,C37548462_decoy,ADA,Decoy,0,-8.01215,-3.45,-0.44,-3.702767768380272
Cc1[nH]ncc1S(=O)(=O)[N-]c1ncc(C#CC[NH3+])s1,C37730751_decoy,ADA,Decoy,0,-9.07746,-5.75,-0.76,-6.512363785237146
NC(=O)N1CCC[C@@H](C(=O)NCc2cn[nH]c2)C1,C38006905_decoy,ADA,Decoy,0,-7.3044,-7.1,-0.85,-6.865605494790776
NC(=O)C[C@H]1S/C(=N/N=C2\NC(=O)CS2)NC1=O,C39886333_decoy,ADA,Decoy,0,-7.74923,-6.92,-0.49,-5.86619488297105
CS(=O)(=O)NC1CCN(C(=O)c2cc(N)c[nH]2)CC1,C40321377_decoy,ADA,Decoy,0,-7.37131,-6.2,-0.35,-6.188736625111441
Cc1ncc(N)cc1C(=O)N1CCN(S(N)(=O)=O)CC1,C40338414_decoy,ADA,Decoy,0,-8.97085,-7.85,-0.1,-7.592665900106398
CN(CC/C(N)=N/O)S(=O)(=O)c1cn[nH]c1,C40376198_decoy,ADA,Decoy,0,-8.26457,-6.74,-1.27,-8.09677045905832
CC[C@H](NS(=O)(=O)N1CCOCC1)/C(N)=N/O,C40376720_decoy,ADA,Decoy,0,-8.60819,-6.71,-0.82,-9.152855134781555
CC[C@@H](NS(=O)(=O)N1CCOCC1)/C(N)=N/O,C40376721_decoy,ADA,Decoy,0,-8.02296,-6.33,-0.14,-7.04672491686156
O=C([O-])CNC(=O)c1ccc(NC(=O)[C@@H]2CCC[NH2+]2)cc1,C40469227_decoy,ADA,Decoy,0,-7.05976,-7.42,-0.39,-6.074588637904459
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)N1CCC[C@H](CO)C1,C40582543_decoy,ADA,Decoy,0,-9.93325,-6.3,-1.39,-7.647161061417178
[NH3+]CCNS(=O)(=O)c1ccc(C(=O)[O-])o1,C42420375_decoy,ADA,Decoy,0,-6.95431,-6.1,-0.16,-5.443752925305205
CC(C)CNC(=O)NNC(=O)C(=O)NC1CC1,C42947794_decoy,ADA,Decoy,0,-5.80419,-6.53,-1.22,-6.786640725358191
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1C[C@H]([NH3+])C(=O)[O-],C44284114_decoy,ADA,Decoy,0,-6.26382,-7.64,0.25,-11.261052408041934
CCC(=O)NNC(=O)CNC(=O)c1ccc(=O)[nH]c1,C44458967_decoy,ADA,Decoy,0,-5.74944,-7.29,-0.91,-9.857474196091946
C=CCOC(=O)[C@H]1O[C@H](O)[C@H](O)[C@@H](O)[C@H]1O,C44608216_decoy,ADA,Decoy,0,-3.95133,-6.46,-1.08,-5.8976797904734894
C[C@H](C(=O)N1CCN(CCO)CC1)/C(N)=N/O,C44869750_decoy,ADA,Decoy,0,-9.19739,-7.46,-0.97,-12.095121538477777
[NH3+]CC1(C(=O)NCc2nnn[n-]2)CCCCC1,C44931204_decoy,ADA,Decoy,0,-7.7176,-5.75,-0.32,-5.220987327941045
NC(=O)c1ccsc1NC(=O)C(=O)NC[C@H]1CCOC1,C48002706_decoy,ADA,Decoy,0,-6.57277,-7.09,-1.12,-6.7812629370557485
CC(=O)c1c[nH]c(C(=O)NNC(=O)C(=O)NC2CC2)c1,C48390994_decoy,ADA,Decoy,0,-6.59664,-7.55,-0.21,-7.165919186712796
NC(=O)C[C@H](NC(=O)N1CC[NH+](C2CC2)CC1)C(=O)[O-],C48996359_decoy,ADA,Decoy,0,-6.65153,-6.68,-0.83,-7.12538290384835
NC(=O)C[C@@H](NC(=O)N1CC[NH+](C2CC2)CC1)C(=O)[O-],C48996361_decoy,ADA,Decoy,0,-7.38452,-7.07,-1.14,-7.745811492460717
CCC[C@H](NC(N)=O)C(=O)N[C@@H]1CCS(=O)(=O)C1,C49105023_decoy,ADA,Decoy,0,-8.25158,-6.66,-0.91,-9.25046635240076
CCC[C@H](NC(N)=O)C(=O)N[C@H]1CCS(=O)(=O)C1,C49105029_decoy,ADA,Decoy,0,-7.75586,-5.91,-0.63,-8.658205677900316
Cc1occc1C(=O)NCC(=O)NNC(=O)NC1CC1,C49128535_decoy,ADA,Decoy,0,-6.27478,-5.94,-0.68,-5.156371138651129
O=C1NC(=S)NC(=O)C1=CNCCNC(=O)C1CC1,C49457984_decoy,ADA,Decoy,0,-6.23678,-5.75,-0.49,-5.398774388100504
C[C@@H](CN1CCOCC1)NC(=O)C/C(N)=N/O,C49503139_decoy,ADA,Decoy,0,-8.80288,-5.94,-2.58,-8.980317126312153
CN(CCO)c1ccc([N+](=O)[O-])cc1/C(N)=N/O,C50440031_decoy,ADA,Decoy,0,-7.87584,-6.72,0.16,-7.477383705685289
N/C(=N/O)C1(C(=O)N2CCC[C@H]2CCCO)CCOCC1,C52764176_decoy,ADA,Decoy,0,-8.60227,-8.17,-0.11,-8.46888069715213
CN(C(=O)N[C@@H](CC(N)=O)C(=O)[O-])[C@@H]1CCC[NH+](C)C1,C53249458_decoy,ADA,Decoy,0,-6.35084,-6.71,-2.05,-6.521432757271519
NC(=O)NC(=O)C[NH+]1CCC[C@H](CC(=O)[O-])C1,C54299767_decoy,ADA,Decoy,0,-8.0374,-6.73,0.08,-9.333648103093614
Nc1nc(C(=O)Nc2nnc(C3CC3)o2)n[nH]1,C55169376_decoy,ADA,Decoy,0,-7.81292,-8.08,-0.01,-11.664516620925056
O=C(N[C@H]1CCCCNC1=O)c1n[nH]c(=O)[nH]1,C48734226_decoy,ADA,Decoy,0,-5.96753,-7.09,-0.73,-5.923228001110157
Nc1ccccc1C(=O)N1CCN(S(N)(=O)=O)CC1,C38102145_decoy,ADA,Decoy,0,-9.57582,-7.64,-0.48,-7.430870285534853
[NH3+]c1cc2c(cc1NCc1nnn[n-]1)OCCO2,C59435040_decoy,ADA,Decoy,0,-8.93328,-7.38,-0.6,-8.389613202330318
N/C(=N/O)[C@@H]1CCC[C@H]1NC(=O)[C@@H]1COCCO1,C61886999_decoy,ADA,Decoy,0,-8.86303,-7.03,-0.52,-8.072908317477726
N/C(=N/O)[C@@H]1CCC[C@@H]1NS(=O)(=O)N1CCOCC1,C61888246_decoy,ADA,Decoy,0,-8.00975,-6.4,-1.27,-6.8868653714876045
NNc1ccc([N+](=O)[O-])c(C(=O)N2CCNC(=O)CC2)c1,C62102245_decoy,ADA,Decoy,0,-7.19483,-7.9,-1.05,-7.477747703556155
CC1(C(=O)NCC(=O)NCC(=O)[O-])CC[NH2+]CC1,C62841017_decoy,ADA,Decoy,0,-7.72503,-6.65,-1.77,-6.541041624543493
NNC(=O)c1ccc(CS[C@H]2N=NC(=O)NC2=O)cc1,C39948901_decoy,ADA,Decoy,0,-8.89809,-7.26,-0.95,-6.767134060724817
CC(=O)NCC(=O)NCC(=O)N1C[C@H](C(N)=O)CC[C@H]1C,C66317859_decoy,ADA,Decoy,0,-6.93023,-7.62,-0.61,-6.782766938809546
CC(=O)NC[C@H]1CCCN(C(=O)CCNC(N)=O)C1,C67594895_decoy,ADA,Decoy,0,-7.96208,-7.7,-0.5,-9.96552900427781
Cn1c(=O)c2[nH]c(CC[NH3+])nc2n(C)c1=O,C06447457_decoy,ADA,Decoy,0,-6.28616,-6.12,0.16,-5.280921399176969
NC(=O)C1CCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)CC1,C19480576_decoy,ADA,Decoy,0,-7.41549,-7.1,-1.1,-5.895746378147274
NC(=O)[C@H]1CCCN(S(=O)(=O)[C@@H]2CCC[NH2+]C2)C1,C19482617_decoy,ADA,Decoy,0,-7.01864,-7.29,-0.04,-7.090373072171091
[NH3+]C[C@H](O)CN1CCN(C(=O)[C@H]2CCCO2)CC1,C19679558_decoy,ADA,Decoy,0,-7.73992,-6.84,0.1,-8.123558011959497
O=S(=O)(NC1CCC(O)CC1)N1CC[NH2+]CC1,C20247588_decoy,ADA,Decoy,0,-8.26316,-6.81,-0.84,-7.8845340984476895
O=C(NCCN1CCOCC1)[C@H]1C[C@H](O)C[NH2+]1,C20434360_decoy,ADA,Decoy,0,-7.34306,-6.09,-0.49,-6.786285966562427
O=C(NCCN1CCOCC1)[C@@H]1C[C@@H](O)C[NH2+]1,C20434363_decoy,ADA,Decoy,0,-7.44777,-6.41,-0.38,-6.155836458394663
NC(=O)[C@@H]1CCCN(C(=O)C[NH+]2CCNCC2)C1,C20521287_decoy,ADA,Decoy,0,-7.46329,-6.76,-0.63,-6.652323337323178
NC(=O)[C@H]1CCCN(S(=O)(=O)CC[NH3+])C1,C22167409_decoy,ADA,Decoy,0,-7.63672,-5.76,-0.3,-5.833109891756795
[NH3+]C1CCN(C(=O)C2=NNC(=O)CC2)CC1,C33433683_decoy,ADA,Decoy,0,-6.8451,-4.08,0.73,-3.597372126891595
[NH3+]C1CC(NS(=O)(=O)[C@@H]2CCS(=O)(=O)C2)C1,C36265800_decoy,ADA,Decoy,0,-7.59194,-4.9,-0.44,-4.6591080311261885
Cn1cc(S(=O)(=O)NC2CC([NH3+])C2)c(=O)n(C)c1=O,C36265945_decoy,ADA,Decoy,0,-6.71693,-6.82,-0.31,-6.354555929556036
O=C1CC[C@@H](C(=O)NC[C@@H]2C[NH2+]CCO2)N1,C36285148_decoy,ADA,Decoy,0,-5.8553,-6.55,-0.4,-8.991145446339273
CS(=O)(=O)N1CCC([NH2+]CC(N)=O)CC1,C36828606_decoy,ADA,Decoy,0,-7.16451,-6.01,-0.73,-6.355124528670315
NC(=O)[C@@H]1CCCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)C1,C36906953_decoy,ADA,Decoy,0,-8.08063,-7.26,-0.02,-7.062013621212593
O=C(N[C@H]1CCS(=O)(=O)C1)[C@@H]1C[C@H](O)C[NH2+]1,C36906999_decoy,ADA,Decoy,0,-7.19601,-5.82,-0.4,-4.879182722597143
CN(C)C(=O)C[NH2+]C1CCN(C(N)=O)CC1,C37254369_decoy,ADA,Decoy,0,-6.26484,-5.76,-0.03,-5.960180943740592
CC(=O)N1CCC([NH2+]CCS(N)(=O)=O)CC1,C37261778_decoy,ADA,Decoy,0,-9.35184,-6.18,-0.56,-7.355049558699476
NC(=O)[C@H]1CCCN(C(=O)C[NH+]2CCCNCC2)C1,C37365290_decoy,ADA,Decoy,0,-6.79422,-7.3,-0.33,-7.048464635062516
[NH3+]CC(=O)NCC(=O)N1CCN(C(=O)[C@H]2CCCO2)CC1,C37799072_decoy,ADA,Decoy,0,-6.86407,-4.17,-0.41,-3.879580742965884
NC(=O)C[C@H]([NH3+])C(=O)N1CCN(C2CC2)CC1,C37827040_decoy,ADA,Decoy,0,-7.16445,-7.22,-0.46,-6.809191481470031
NC(=O)[C@H]1CCCCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1,C37996495_decoy,ADA,Decoy,0,-5.93033,-7.38,-0.13,-6.238236208949584
Cn1cc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2[NH3+])c(=O)n(C)c1=O,C38050053_decoy,ADA,Decoy,0,-7.78369,-5.94,-0.61,-4.859814300173946
NC(=O)C1CCC([NH2+][C@H]2CS(=O)(=O)C[C@H]2O)CC1,C38091885_decoy,ADA,Decoy,0,-7.95012,-7.4,-0.64,-6.718510141816049
O=C(N/N=C1\NC=NC2=NC=N[C@H]21)[C@@H]1CCC[NH2+]C1,C39361362_decoy,ADA,Decoy,0,-7.7746,-8.44,-0.54,-8.886161258386197
[NH3+]CC(=O)N1CCC([NH+]2CCC[C@@H]2C(=O)[O-])CC1,C40486760_decoy,ADA,Decoy,0,-7.74423,-6.46,-0.13,-6.482655832355933
[NH3+]CC(=O)N1CCC([NH+]2CCC[C@H]2C(=O)[O-])CC1,C40486761_decoy,ADA,Decoy,0,-6.49623,-5.88,-1.2,-6.225786077378289
O=C([C@H]1CCCN1c1n[nH]c(=O)[nH]c1=O)N1CC[NH2+]CC1,C40508799_decoy,ADA,Decoy,0,-6.86687,-7.28,0.17,-7.178645027448593
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)C(=O)N1CCC[NH2+]CC1,C42440506_decoy,ADA,Decoy,0,-6.96781,-5.77,-0.09,-5.970947790460547
CNC(=O)[C@H](C)NC(=O)C(=O)N1CCC[NH2+]CC1,C42576025_decoy,ADA,Decoy,0,-5.94243,-5.07,-0.12,-4.64462806208744
[NH3+]CC(=O)NCC(=O)N1CCO[C@H]2CCC[C@H]21,C43427494_decoy,ADA,Decoy,0,-6.43932,-6.45,0.06,-6.440730909663281
[NH3+]C[C@@H]1CCCCN1c1n[nH]c(=O)[nH]c1=O,C44559748_decoy,ADA,Decoy,0,-6.87926,-7.56,-0.01,-10.814162419625587
[NH3+]C[C@H]1CCCCN1c1n[nH]c(=O)[nH]c1=O,C44559749_decoy,ADA,Decoy,0,-6.45463,-7.56,0.05,-7.318156111677416
CNC(=O)CCNC(=O)C(=O)N1CC[NH2+]CC1,C45014341_decoy,ADA,Decoy,0,-5.89798,-6.28,-0.57,-6.923415440821664
[NH3+][C@@H]1CCCN(C(=O)N2CC[NH+](CC(=O)[O-])CC2)C1,C48837160_decoy,ADA,Decoy,0,-5.94354,-6.8,-0.02,-5.692590600753279
CCNC(=O)NNC(=O)C[NH+]1CCS(=O)(=O)CC1,C49164553_decoy,ADA,Decoy,0,-7.06746,-6.39,-0.48,-6.29414172004642
C[C@H](C[NH3+])NS(=O)(=O)C1CCS(=O)(=O)CC1,C50350807_decoy,ADA,Decoy,0,-7.78848,-6.22,-0.38,-6.260651685769333
[NH3+]CCS(=O)(=O)N[C@@H]1CCCNC1=O,C50397616_decoy,ADA,Decoy,0,-7.34626,-5.97,-0.68,-7.442391301183085
O=C(CN1CC[NH2+]CC1)N[C@@H]1CCCNC1=O,C50397812_decoy,ADA,Decoy,0,-6.5124,-6.91,-0.45,-7.666942256566252
C[C@H](C(=O)[O-])[NH+]1CCN(C(=O)NC2CC[NH2+]CC2)CC1,C51661644_decoy,ADA,Decoy,0,-7.45321,-3.76,0.33,-4.029273190083986
C[C@@H](C[NH3+])C(=O)N1CC[NH+](CC(=O)[O-])CC1,C54343078_decoy,ADA,Decoy,0,-5.16879,-4.67,-0.75,-3.9364685462720814
C[NH+](CC(N)=O)[C@@H]1CS(=O)(=O)C[C@@H]1N,C54492972_decoy,ADA,Decoy,0,-5.83039,-5.88,-0.56,-5.40117718670045
C[NH+](CC(=O)NC1CC1)[C@@H]1CS(=O)(=O)C[C@@H]1N,C54493434_decoy,ADA,Decoy,0,-6.9677,-5.31,-0.05,-4.467422147488344
[NH3+][C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@@H]1COCCO1,C55298610_decoy,ADA,Decoy,0,-7.46132,-7.68,0.3,-5.265161487204099
O=C([O-])C[NH+]1CCCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1,C61145194_decoy,ADA,Decoy,0,-5.53634,-7.21,0.0,-4.813181639089776
Cn1cc(S(=O)(=O)N[C@@H]2CCC[C@H]2C[NH3+])c(=O)n(C)c1=O,C61883967_decoy,ADA,Decoy,0,-7.4122,-7.16,-0.47,-8.04708995675501
O=C(N[C@@H]1CCCNC1=O)[C@@H]1C[NH2+]CCN1,C62813455_decoy,ADA,Decoy,0,-6.20351,-5.12,-0.47,-4.21140207932697
CNC(=O)CN(C)C(=O)[C@@H]1C[NH2+][C@H](C)CN1,C62814460_decoy,ADA,Decoy,0,-5.83423,-6.3,-0.31,-6.55776111202448
C[C@@H]1CN[C@@H](C(=O)NC2CCS(=O)(=O)CC2)C[NH2+]1,C62814606_decoy,ADA,Decoy,0,-6.99796,-5.41,-0.66,-4.333752722359187
CNC(=O)[C@@H]1C[C@H]([NH3+])CN1C(=O)[C@@H]1CSCN1C,C67447237_decoy,ADA,Decoy,0,-7.85518,-5.8,-0.63,-5.571569788311769
N#CC1=C(N)Oc2[nH]c(=O)[nH]c(=O)c2[C@H]1c1cccnc1,C00043707_decoy,ADA,Decoy,0,-8.07591,-8.08,0.51,-6.8819953691334055
Nc1ccc(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)cc1,C01644054_decoy,ADA,Decoy,0,-6.2168,-7.39,-0.51,-4.661167550071133
CO[C@H]1[C@@H](O)[C@H](NC(=O)CC(C)(C)O)[C@@H](C)O[C@H]1O,C22049187_decoy,ADA,Decoy,0,-7.78186,-5.33,-0.71,-4.925324355584345
CNS(=O)(=O)c1ccc(S(=O)(=O)[N-][NH3+])cc1,C35431142_decoy,ADA,Decoy,0,-8.69429,-6.17,-0.52,-6.538659815619895
[NH3+]C1CCN(S(=O)(=O)c2cnc([O-])[nH]c2=O)CC1,C36753780_decoy,ADA,Decoy,0,-7.20522,-6.95,0.26,-6.405037017319213
Nc1ccc(CC(=O)N2CCN(S(N)(=O)=O)CC2)cc1,C38101522_decoy,ADA,Decoy,0,-9.22133,-7.71,-0.99,-7.161737338720571
CC(NNC(=O)c1c[nH]c(=O)[nH]c1=O)=C1C=CC(=O)C=C1,C05183942_decoy,ADA,Decoy,0,-6.60203,-6.6,-0.86,-4.669432760413519
NC(=O)C[C@H]1S/C(=N/N=C2\CSC(=O)N2)NC1=O,C39886289_decoy,ADA,Decoy,0,-7.73069,-7.01,-0.06,-5.568104840419704
C[C@@]1(c2ccccc2)NC(=O)N(CC(=O)NN)C1=O,C40166080_decoy,ADA,Decoy,0,-7.7355,-6.95,-0.18,-7.319007706710172
Nc1cc(C(=O)N2CCN(S(N)(=O)=O)CC2)n(C2CC2)c1,C40338404_decoy,ADA,Decoy,0,-9.14463,-7.95,-0.44,-7.522854488162675
NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1,C40378414_decoy,ADA,Decoy,0,-8.59279,-8.08,-0.53,-9.752191026170228
NS(=O)(=O)NC[C@@H]1CCCN(C(=O)c2c[nH]c(=O)cn2)C1,C40378415_decoy,ADA,Decoy,0,-8.45839,-7.97,-0.63,-8.48485854056046
Cc1[nH]c(=O)sc1S(=O)(=O)NC(C)(C)C(N)=O,C40675537_decoy,ADA,Decoy,0,-6.96696,-6.7,-1.16,-6.850248630569261
NNc1ncc(S(=O)(=O)N2CCC(O)CC2)cn1,C41071183_decoy,ADA,Decoy,0,-10.0499,-7.94,-0.84,-7.879581350089287
NC(=O)CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2,C41389562_decoy,ADA,Decoy,0,-6.6094,-7.7,-0.72,-5.680222576504978
NNc1ccc(S(=O)(=O)N2CCC[C@@H](O)C2)cn1,C42471492_decoy,ADA,Decoy,0,-8.89496,-7.23,-0.28,-11.099279738492912
CC(C)(C)OC(=O)N1C[C@H](O)[C@@H](O)[C@@H](O)[C@@H]1CO,C44167748_decoy,ADA,Decoy,0,-8.12982,-4.58,-0.64,-4.448628508910281
Cc1[nH]c2ccc([N+](=O)[O-])cc2c1[C@H]([NH3+])CC(=O)[O-],C44216186_decoy,ADA,Decoy,0,-6.02266,-6.98,0.22,-8.01254025273837
CC(C)(C(=O)N1CCN(CCO)CC1)/C(N)=N/O,C44785386_decoy,ADA,Decoy,0,-7.48277,-7.67,-0.09,-9.19607977087992
N/C(=N/O)C1(C(=O)NC[C@@H]2COCCO2)CCOCC1,C44785607_decoy,ADA,Decoy,0,-9.22263,-7.77,-1.1,-10.739739240786776
CS(=O)(=O)N1CCC(NC(=O)CNC(N)=O)CC1,C46582799_decoy,ADA,Decoy,0,-8.43694,-6.96,-0.54,-8.581318885447939
Cc1cc(C)nc(NNC(=O)c2n[nH]c(=O)[nH]2)n1,C48732788_decoy,ADA,Decoy,0,-5.75753,-7.86,0.01,-6.011733223681088
[NH3+][C@H]1CCCC[C@H]1NS(=O)(=O)N1CCCC[C@@H]1C(=O)[O-],C48839638_decoy,ADA,Decoy,0,-8.80628,-7.41,-3.13,-8.463101961394552
COC(=O)N1CCC(NC(=O)[C@@H](C)NC(N)=O)CC1,C48977834_decoy,ADA,Decoy,0,-6.41088,-7.02,-0.44,-8.650510742947217
O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCCNC1=O,C49499672_decoy,ADA,Decoy,0,-5.64967,-7.07,-0.04,-5.3054523978180805
C[C@H](O)[C@@H](NC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)C(=O)[O-],C49571089_decoy,ADA,Decoy,0,-7.47707,-7.09,-1.82,-7.383591378799055
CC(=O)/N=C1/N[C@@]2(O)c3ccccc3C(=O)[C@@]2(O)N1,C06781004_decoy,ADA,Decoy,0,-7.64325,-9.42,-0.53,-7.44021523011235
[NH3+]C[C@@H]1CCN(S(=O)(=O)c2cnc([O-])[nH]c2=O)C1,C50246681_decoy,ADA,Decoy,0,-8.14575,-6.95,0.43,-10.623280960503102
CC(=O)N[C@@H]1CCCN(C(=O)c2n[nH]c(C)c2N)C1,C50306167_decoy,ADA,Decoy,0,-6.66073,-7.59,-0.11,-8.961731631462944
Nc1c(C2CC2)n[nH]c1C(=O)N1CCNC(=O)C1,C50323330_decoy,ADA,Decoy,0,-5.83562,-4.95,-0.59,-3.623153304434467
Nc1c(C2CC2)n[nH]c1C(=O)N[C@@H]1CCS(=O)(=O)C1,C50323490_decoy,ADA,Decoy,0,-7.1809,-6.43,-1.23,-6.224506023802572
Cc1nn(CC(=O)N[C@@H]2CCCNC2=O)c(C)c1N,C50397089_decoy,ADA,Decoy,0,-6.45898,-7.51,-0.58,-5.938968646058203
Nc1ccn(CC(=O)N2CCN(S(N)(=O)=O)CC2)n1,C50467967_decoy,ADA,Decoy,0,-9.73362,-7.89,-0.44,-7.3209805389938
N/C(CC(=O)NC[C@H]1CCS(=O)(=O)C1)=N/O,C50604362_decoy,ADA,Decoy,0,-8.76615,-6.93,-0.43,-7.448686181158477
NNc1ccnc(C(=O)N[C@@H]2CCS(=O)(=O)C2)c1,C51088912_decoy,ADA,Decoy,0,-7.9805,-6.22,-0.12,-6.755276532438488
NNc1ccc(C(=O)N[C@@H]2CCS(=O)(=O)C2)nn1,C51088948_decoy,ADA,Decoy,0,-7.11408,-6.94,-0.3,-6.158141538666852
O=C(CNC(=O)c1ccc(=O)[nH]c1)Nc1cn[nH]c1,C51414368_decoy,ADA,Decoy,0,-5.64211,-7.27,-0.41,-5.954393836538563
O=C(N[C@@H]1CCCC[C@H]1O)c1c[nH]c(=O)[nH]c1=O,C52001108_decoy,ADA,Decoy,0,-6.75888,-7.77,-0.08,-7.02298254423775
CS(=O)(=O)N1CCC(NC(=O)c2n[nH]c(N)n2)CC1,C55165129_decoy,ADA,Decoy,0,-8.23062,-7.11,-0.42,-9.098836522953691
CNC(=O)[C@@H]1CCCCN1C(=O)c1n[nH]c(N)n1,C55167686_decoy,ADA,Decoy,0,-6.89213,-6.91,0.86,-10.00724429318275
CNC(=O)NNC(=O)Cc1csc(N2CCNC2=O)n1,C56377262_decoy,ADA,Decoy,0,-7.07549,-7.7,-3.23,-7.624123281120338
CNC(=O)[C@H]1CCCN1C(=O)c1[nH]nc(C2CC2)c1N,C50324276_decoy,ADA,Decoy,0,-6.3154,-6.23,-0.61,-5.339535753618921
NC(=O)[C@H]1CCCN1C(=O)Cn1cc(N)ccc1=O,C61090329_decoy,ADA,Decoy,0,-6.00583,-6.94,0.04,-6.42329235680855
C[C@@H](NC(=O)N1CCC[NH+](CC(=O)[O-])CC1)C(N)=O,C61145722_decoy,ADA,Decoy,0,-7.21774,-6.28,-0.35,-6.867737215311013
CC(C)(NC(=O)N1CCC[NH+](CC(=O)[O-])CC1)C(N)=O,C61146326_decoy,ADA,Decoy,0,-7.49839,-3.05,-0.15,-3.6206321855475294
NNc1ccc([N+](=O)[O-])cc1C(=O)N1CC[C@@H](O)C1,C61714057_decoy,ADA,Decoy,0,-9.36791,-7.07,-0.45,-6.503176434603627
NS(=O)(=O)NC[C@H]1CCCN(C(=O)c2cc[nH]n2)C1,C62779772_decoy,ADA,Decoy,0,-9.08625,-6.56,-0.47,-6.970721778166201
O=C1N=C2N[C@]3(O)c4ccccc4C(=O)[C@]3(O)[C@H]2C(=O)N1,C00351018_decoy,ADA,Decoy,0,-7.33066,-5.43,-0.84,-2.60897390112714
CNC(=O)/C=C1/CS[C@@H](NC(=O)c2ccc[nH]c2=O)N1,C64403618_decoy,ADA,Decoy,0,-7.86825,-7.37,-0.54,-7.330194015782582
NC(=O)CN1CCC[C@H](NC(=O)c2ccc[nH]c2=O)C1,C66451118_decoy,ADA,Decoy,0,-7.51573,-6.64,-0.39,-6.761906546701671
CC(=O)N1N=C(N)S[C@]12CSC(=O)N2,C01447199_decoy,ADA,Decoy,0,-7.44364,-6.21,0.02,-5.617659577979432
Cn1c(N)c(C(=S)NC(=O)C2CC2)c(=O)n(C)c1=O,C03349772_decoy,ADA,Decoy,0,-7.28323,-5.98,-0.45,-5.957540312567561
C=CCNS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1,C13582049_decoy,ADA,Decoy,0,-7.35638,-7.24,-1.38,-6.101955819196804
C[C@@]1(c2ccco2)NC(=O)N(CC(N)=S)C1=O,C19503648_decoy,ADA,Decoy,0,-6.22152,-5.81,-0.75,-4.668084811461289
[NH3+][C@@H]1CS(=O)(=O)C[C@@H]1N1CCC(C(=O)[O-])CC1,C31990341_decoy,ADA,Decoy,0,-7.13764,-5.27,0.57,-5.175893805595593
CC(C)(C)NC(=O)NC(=O)C[NH+]1CCC[C@H]1C(=O)[O-],C35302202_decoy,ADA,Decoy,0,-6.62552,-4.91,-0.25,-4.834823579106538
CCNC(=O)NC(=O)C[NH+]1CCC[C@@H]1C(=O)[O-],C35303796_decoy,ADA,Decoy,0,-6.15301,-6.62,-0.61,-6.483865773540495
Cn1c(N)c(NC(=O)c2ccco2)c(=O)n(C)c1=O,C38920676_decoy,ADA,Decoy,0,-6.00577,-5.78,-0.48,-3.911178912935237
O=C([O-])[C@@H](Cc1c[nH+]c[nH]1)NC(=O)N1CCOCC1,C40524252_decoy,ADA,Decoy,0,-8.20075,-6.08,-0.74,-7.881334804450438
O=C([O-])[C@H]1C[C@@H](O)CN1C(=O)N[C@@H]1C[NH+]2CCC1CC2,C40551211_decoy,ADA,Decoy,0,-6.29482,-4.09,-0.21,-3.4308012990653625
C[NH+]1CCC(NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])CC1,C40573614_decoy,ADA,Decoy,0,-7.03996,-4.19,-0.26,-4.156695460445163
CO[C@H]1C[NH2+][C@@H](C(=O)NC2(C(=O)[O-])CCCCC2)C1,C40637022_decoy,ADA,Decoy,0,-6.35898,-5.45,0.12,-4.719217446141117
CC(C)[C@@H](NC(=O)N[C@@H]1CCC[NH+](C)C1)C(=O)[O-],C40716347_decoy,ADA,Decoy,0,-7.57257,-4.53,-0.67,-4.3181015319786615
C[C@H]1CCC[C@](NC(=O)NC2CC[NH+](C)CC2)(C(=O)[O-])C1,C41036193_decoy,ADA,Decoy,0,-7.77554,-4.19,-0.06,-4.419066697368655
C[C@H]1CCCN(S(=O)(=O)CCC(=O)NN)C1,C41303669_decoy,ADA,Decoy,0,-8.77703,-6.51,-0.6,-8.177416740677108
O=C([O-])C[C@H]1CCCN1C(=O)[C@@H]1C[C@H](O)C[NH2+]1,C42164497_decoy,ADA,Decoy,0,-7.80384,-6.32,0.47,-8.07398103639636
[NH3+][C@@H]1CCCN(C(=O)N(CCC(=O)[O-])C2CC2)C1,C42430357_decoy,ADA,Decoy,0,-4.59678,-2.98,-0.24,-2.69078050095418
C[NH+]1CC[C@@H](NC(=O)N2C[C@H](O)C[C@@H]2C(=O)[O-])C1,C42549709_decoy,ADA,Decoy,0,-7.27483,-3.87,-0.4,-3.898272601923919
CC(C)[C@H](NC(=O)N[C@@H]1CC[NH+](C)C1)C(=O)[O-],C42549740_decoy,ADA,Decoy,0,-5.9881,-4.97,-0.22,-4.620176785272604
C[NH+]1CC[C@@H](NC(=O)N[C@@H](C(=O)[O-])C(C)(C)C)C1,C42549816_decoy,ADA,Decoy,0,-7.44103,-4.12,-0.73,-4.37715768223211
O=C(C[C@@H]1NC(=O)NC1=O)N[C@@H]1CCS(=O)(=O)C1,C42816526_decoy,ADA,Decoy,0,-6.75745,-6.36,-0.37,-5.596840599485243
Cc1occc1C(=O)NNC(=O)N[C@H]1CCS(=O)(=O)C1,C42872760_decoy,ADA,Decoy,0,-6.68354,-5.81,-0.87,-4.690668306340688
NC(=S)CNC(=O)C(=O)N1CCO[C@H]2CCCC[C@H]21,C43427731_decoy,ADA,Decoy,0,-7.68209,-6.25,-0.79,-6.838272525572998
CCN1CCN(C(=O)C2(/C(N)=N/O)CCOCC2)CC1,C44784624_decoy,ADA,Decoy,0,-7.32229,-7.55,-1.25,-7.634046196490633
C[C@@H](NS(=O)(=O)[C@@H]1CCC[NH2+]C1)c1nnn[n-]1,C44934769_decoy,ADA,Decoy,0,-8.03203,-6.21,-0.59,-9.071674157465834
NS(=O)(=O)c1ccc(NC(=O)[C@@H]2COCCO2)cc1,C47873211_decoy,ADA,Decoy,0,-7.79496,-7.44,-0.63,-7.25179462197331
O=C(C[C@@H]1CCS(=O)(=O)C1)NNC(=O)NC1CC1,C48645006_decoy,ADA,Decoy,0,-6.50962,-5.86,-0.12,-4.960724938997057
CCNC(=O)NNC(=O)C[C@H]1CCS(=O)(=O)C1,C48645020_decoy,ADA,Decoy,0,-5.98395,-6.52,-0.45,-6.093106705473579
C[C@@H]1CCC[C@@](NC(=O)N2CC[NH2+]CC2)(C(=O)[O-])C1,C48822668_decoy,ADA,Decoy,0,-6.7699,-6.52,0.04,-6.886743379407196
C[C@@H]1CCC[C@@](NC(=O)N2CCC[NH2+]CC2)(C(=O)[O-])C1,C48834510_decoy,ADA,Decoy,0,-7.26356,-6.21,0.31,-8.122075271835929
O=C([O-])[C@H]1CCCN(S(=O)(=O)NC2CC[NH2+]CC2)C1,C48835051_decoy,ADA,Decoy,0,-7.75296,-5.72,-0.8,-4.988407977788838
CN(C(=O)N[C@](C)(C(=O)[O-])C1CC1)C1CC[NH2+]CC1,C48842027_decoy,ADA,Decoy,0,-6.70727,-6.87,-0.69,-6.885059888435856
Cc1n[nH]c(C(=O)NN2CC(=O)NC2=O)c1Br,C48911426_decoy,ADA,Decoy,0,-6.66104,-7.31,-0.5,-6.446114424049068
C[C@@H](NC(N)=O)C(=O)N(C)[C@@H]1CCS(=O)(=O)C1,C48927781_decoy,ADA,Decoy,0,-6.01548,-6.72,-1.07,-6.988256782150125
CN1CC[C@H](C(=O)NNC(=O)NC2CC2)CC1=O,C49150610_decoy,ADA,Decoy,0,-6.21043,-5.06,-0.37,-4.474211010063467
CCNC(=O)NNC(=O)[C@H]1CCCN(S(C)(=O)=O)C1,C49164845_decoy,ADA,Decoy,0,-6.70811,-5.96,-0.69,-5.43459000086097
C[C@H](C[NH+]1CCCC1)NC(=O)N1C[C@@H](O)C[C@@H]1C(=O)[O-],C49187237_decoy,ADA,Decoy,0,-7.15801,-5.25,-0.68,-4.996155343471774
CC[NH+]1CCC[C@@H](NC(=O)NC(C)(C)C(=O)[O-])C1,C49228005_decoy,ADA,Decoy,0,-7.58387,-4.16,0.13,-4.459772088719004
[NH3+][C@H]1CCCN(C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1,C49871796_decoy,ADA,Decoy,0,-4.71048,-5.33,0.53,-3.3530657477083934
CC[C@H](C(=O)[O-])N(C)C(=O)N1CC[C@@H](C[NH3+])C1,C50251507_decoy,ADA,Decoy,0,-5.42901,-5.95,0.16,-5.58642645902286
[NH3+]C[C@H]1CCN(C(=O)N2CCO[C@@H](C(=O)[O-])C2)C1,C50251519_decoy,ADA,Decoy,0,-5.88981,-3.97,-0.63,-3.51796498000239
Cc1[nH]ncc1S(=O)(=O)N[C@H]1CCCNC1=O,C50392675_decoy,ADA,Decoy,0,-8.45834,-7.02,-0.54,-8.282502056881903
O=c1[nH]c2ccc(S(=O)(=O)NC3CC3)cc2[nH]c1=O,C13582051_decoy,ADA,Decoy,0,-7.16314,-7.42,-1.05,-5.987753941132173
CC(=O)N1CCN(Cc2nnsc2NN)CC1,C51146528_decoy,ADA,Decoy,0,-8.37017,-7.14,0.11,-7.133616947765887
C[C@H](C(=O)[O-])N1CCN(C(=O)C(C)(C)[NH3+])CC1,C51661035_decoy,ADA,Decoy,0,-5.7603,-6.37,-0.67,-5.8098935823523385
O=C([O-])[C@@H](CO)NC(=O)N1CC[NH+](C2CCCC2)CC1,C52064124_decoy,ADA,Decoy,0,-7.43482,-3.98,-1.54,-4.005253719118877
CNC(=O)NNC(=O)CCN1CCSC1=O,C56377058_decoy,ADA,Decoy,0,-6.09582,-5.2,-0.02,-5.417637603393118
C[C@@H]1CC(=O)N(Cc2nnsc2NN)C1=O,C51147959_decoy,ADA,Decoy,0,-7.38515,-6.55,-0.71,-7.960982171480363
CC[C@]1(C(=O)NCc2nnn[n-]2)CCC[NH2+]C1,C62860444_decoy,ADA,Decoy,0,-7.16853,-6.15,-1.06,-6.516808624502088
O=C([O-])CNC(=O)CNC(=O)N1CCC[NH+]2CCC[C@H]2C1,C62943267_decoy,ADA,Decoy,0,-6.85096,-6.06,-0.89,-5.683989287461101
Cc1[nH]c(=O)[nH]c(=O)c1/C=N/NC(=O)CC[NH3+],C05071686_decoy,ADA,Decoy,0,-7.05152,-6.8,-0.39,-7.03818459678975
CC1(C)Cc2c(sc(NC(=O)C(=O)NCCC[NH3+])c2C#N)CO1,C06759129_decoy,ADA,Decoy,0,-7.8416,-6.04,-0.27,-6.017494618143838
C[C@@H]([NH3+])C(=O)N[C@H]1[C@H]2C(C(=O)C[C@@H](O)[C@H]2O)C(=O)O[C@@H]1C,C13307888_decoy,ADA,Decoy,0,-9.12915,-4.4,-1.12,-4.474017883896543
[NH3+]C1=CC2=[NH+]C(=O)CC(=O)NN2C([S-])=N1,C26506235_decoy,ADA,Decoy,0,-7.67457,-6.54,-0.26,-4.015622477273917
CO[C@H]1C[NH2+]C[C@@H]1NS(=O)(=O)c1cccc(S(N)(=O)=O)c1,C36265168_decoy,ADA,Decoy,0,-8.9374,-7.92,-0.82,-7.150081151226447
NS(=O)(=O)CCNS(=O)(=O)N1CC[NH2+]CC1,C36746133_decoy,ADA,Decoy,0,-9.30401,-5.6,-0.11,-7.565994537802199
NC(=O)[C@H]1CCCN1C(=O)CNC(=O)C[NH3+],C37481878_decoy,ADA,Decoy,0,-6.51273,-6.1,-0.42,-6.935743146922779
NC(=O)C[NH+](C[C@H]1CNC(=O)O1)C1CCNCC1,C37543259_decoy,ADA,Decoy,0,-7.76679,-6.51,-1.42,-6.633943424160235
CN(C)C(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC(N)=O,C37626375_decoy,ADA,Decoy,0,-7.11938,-6.37,-0.92,-7.40008005757889
CN(C(=O)[C@@H]([NH3+])CC(N)=O)[C@H]1CCS(=O)(=O)C1,C37626550_decoy,ADA,Decoy,0,-7.64385,-5.98,-0.5,-6.769936853281586
NC(=O)C[C@@H]([NH3+])C(=O)N[C@H]1CCCCNC1=O,C37627947_decoy,ADA,Decoy,0,-7.66307,-6.29,0.35,-7.259267870041878
NC(=O)C[C@@H]([NH3+])C(=O)N1CCN(C[C@@H]2CCCO2)CC1,C37799587_decoy,ADA,Decoy,0,-8.25561,-5.99,-0.55,-9.821754435335697
NC(=O)C[C@H]([NH3+])C(=O)N1CCN(C[C@H]2CCCO2)CC1,C37799588_decoy,ADA,Decoy,0,-7.41942,-6.74,-0.47,-6.17373158957744
CN(C)C(=O)CN1CCN(C(=O)[C@H]([NH3+])CC(N)=O)CC1,C37800601_decoy,ADA,Decoy,0,-7.4811,-5.59,-0.98,-5.933177946333633
[NH3+]CC(=O)N1CCC2(CC1)NC(=O)NC2=O,C37818271_decoy,ADA,Decoy,0,-6.20223,-6.94,0.36,-6.3770330569094975
O=C1NC(=O)C2(CCN(C(=O)[C@@H]3C[C@@H](O)C[NH2+]3)CC2)N1,C37818292_decoy,ADA,Decoy,0,-7.05953,-7.73,-0.23,-5.913529654588947
NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@@H]2CCCC[NH2+]2)C1,C37820398_decoy,ADA,Decoy,0,-10.3406,-7.46,-0.84,-7.940361311554151
CC[C@H]([NH3+])C(=O)N1CCC[C@H](CNS(N)(=O)=O)C1,C37820446_decoy,ADA,Decoy,0,-9.36782,-7.1,-1.14,-7.891490696496685
NNC(=O)c1nnn(-c2nonc2N)c1C[NH+]1CCCC1,C02380004_decoy,ADA,Decoy,0,-8.28354,-7.3,-0.15,-7.948820587360642
NC(=O)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCS(=O)(=O)C1,C38083656_decoy,ADA,Decoy,0,-7.8935,-6.72,-0.34,-7.637174442178393
NS(=O)(=O)N1CCN(C(=O)C2([NH3+])CCCCC2)CC1,C38101527_decoy,ADA,Decoy,0,-9.30453,-5.29,-0.59,-5.669808924301581
Nc1nc(N)nc(C(=O)NNC2=c3ccccc3=[NH+]C2=O)n1,C06476381_decoy,ADA,Decoy,0,-7.02678,-5.29,-0.37,-4.1554211778333885
[NH3+][C@H]1NN[C@@H](SCc2cc(=O)[nH]c(=O)[nH]2)S1,C39279703_decoy,ADA,Decoy,0,-9.16118,-7.3,-0.5,-6.547934851170187
O=C([O-])[C@H](Cc1c[nH+]c[nH]1)NC(=O)[C@H]1CSC[NH2+]1,C40487020_decoy,ADA,Decoy,0,-9.55083,-6.43,0.26,-8.253973175073437
CO[C@H]1C[NH2+][C@@H](C(=O)NCCS(N)(=O)=O)C1,C40631996_decoy,ADA,Decoy,0,-8.29214,-5.5,-0.48,-6.8480477624578535
O=C(Nc1ccc2[nH]c(=O)[nH]c2c1)[C@@H]1C[NH2+]CCO1,C43708229_decoy,ADA,Decoy,0,-6.71237,-7.45,-0.58,-5.482688700851491
C[C@@H](NC(=O)[C@H]1C[NH2+]CCO1)c1ccc(S(N)(=O)=O)cc1,C43708530_decoy,ADA,Decoy,0,-7.82571,-7.25,-1.1,-5.887508017732304
O=c1[nH]nc(NC[C@@H]2CCCC[NH2+]2)c(=O)[nH]1,C44493143_decoy,ADA,Decoy,0,-6.05362,-7.16,-0.13,-5.728744929430131
O=c1[nH]cc(S(=O)(=O)NC[C@H]2CCC[NH2+]C2)c(=O)[nH]1,C44502682_decoy,ADA,Decoy,0,-7.43489,-6.54,-0.5,-6.624325909992647
NC(=O)NNC(=O)NCCC[NH+]1CCCC1,C45121846_decoy,ADA,Decoy,0,-6.66317,-5.85,-0.76,-6.9849364369723
C[NH+](CC(=O)NC(N)=O)CC(=O)N[C@H]1CCS(=O)(=O)C1,C48574273_decoy,ADA,Decoy,0,-7.65622,-6.61,0.12,-7.214557151682625
C[C@@H](Nc1n[nH]c(=O)[nH]c1=O)[C@H]1CCC[NH2+]C1,C50164040_decoy,ADA,Decoy,0,-6.63229,-6.98,-0.49,-5.584744089290727
NC(=O)C[C@H]([NH3+])C(=O)N[C@H]1CCCNC1=O,C50397737_decoy,ADA,Decoy,0,-7.24165,-6.99,-0.97,-8.237909502406007
Nc1nc(C(=O)N[C@@H]2CC[NH+]3CCC[C@H]23)n[nH]1,C55165214_decoy,ADA,Decoy,0,-6.8301,-7.64,-0.43,-11.085161381879894
N#Cc1c(N)[n+](=O)c2cc(NCCO)c(F)cc2n1O,C19944023_decoy,ADA,Decoy,0,-8.59599,-8.27,-0.74,-7.116863023062537
CN(C)c1nc(N)nc(CN2CC[C@H](C[NH3+])C2)n1,C50247566_decoy,ADA,Decoy,0,-8.98371,-6.77,0.05,-7.319335927056996
C[NH2+]C(C)(C)C(=O)N1CCC[C@@H](CNS(N)(=O)=O)C1,C61317555_decoy,ADA,Decoy,0,-8.13805,-7.52,-0.3,-9.489167488994136
C[C@@H]1CCC[NH2+][C@H]1C(=O)N(CC(N)=O)CC(N)=O,C61809107_decoy,ADA,Decoy,0,-7.57779,-6.51,-0.85,-7.379705860970754
C[C@H]1CCC[C@H](C(=O)N(CC(N)=O)CC(N)=O)[C@@H]1[NH3+],C61809791_decoy,ADA,Decoy,0,-9.03626,-6.29,-0.35,-7.49754813498489
NS(=O)(=O)NC[C@@H]1CCCN(C(=O)[C@H]2CC[NH2+]C2)C1,C62115194_decoy,ADA,Decoy,0,-10.3187,-7.47,-0.67,-8.312130442786474
NC(=O)CN(CC(N)=O)C(=O)[C@@H]1CC[NH2+]C1,C62116996_decoy,ADA,Decoy,0,-5.92647,-6.23,-0.02,-5.638007409675422
NC(=O)C[NH+]1CCCN(C(=O)c2n[nH]cc2N)CC1,C62811660_decoy,ADA,Decoy,0,-6.03432,-6.02,0.08,-5.748400840360101
NC(=O)C[C@@H]([NH3+])C(=O)N1CC[C@H](N2CCOCC2)C1,C62976762_decoy,ADA,Decoy,0,-7.12822,-7.0,-0.84,-7.595428358574858
[NH3+]CC[C@@H]1CN(c2n[nH]c(=O)[nH]c2=O)c2ccccc21,C63129445_decoy,ADA,Decoy,0,-7.60926,-8.03,0.44,-8.757349780515012
C[C@@H]([NH3+])CCNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2,C63171075_decoy,ADA,Decoy,0,-8.13813,-6.64,-0.37,-7.300103531554574
[NH3+][C@@H]1CCCCC[C@@H]1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O,C63213319_decoy,ADA,Decoy,0,-7.36624,-7.98,-0.66,-7.43572645224968
NC1=[NH+][C@H]2N=NC=C2C(NC[C@@H]2CCC(=O)N2)=N1,C63883349_decoy,ADA,Decoy,0,-7.66501,-7.35,-0.73,-6.299849622865652
N#CC1=C(N)NCN(CCN2CNC(=[NH2+])NC2)C1,C66324955_decoy,ADA,Decoy,0,-13.0126,-7.65,0.12,-8.949365950687357
CC(=O)NC[C@H]1CCC[NH+](CC(=O)NC(N)=O)C1,C67418651_decoy,ADA,Decoy,0,-7.45629,-7.02,0.25,-7.285030097011838
CCNC(=O)[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cn1nc(C)c(N)c1C,C67491283_decoy,ADA,Decoy,0,-7.39279,-6.54,-0.63,-6.568164096488301
C=CCOc1cc(Br)c(/C=N/NC(N)=O)cc1OCC,C13747652_decoy,ADA,Decoy,0,-7.74375,-6.64,-0.54,-7.8631968190692945
N#Cc1ccccc1OCC(=O)NNC(=S)NC1CCCCC1,C16283776_decoy,ADA,Decoy,0,-7.81779,-7.62,-0.37,-7.758909851366624
COc1ccc(C)cc1N[C@H](C)C(=O)NC(=O)NCC(F)(F)F,C24962032_decoy,ADA,Decoy,0,-5.58682,-6.29,-0.83,-4.53205585487092
CCCNC(=O)[C@H](C)OC(=O)c1sc2nc(C)cc(C)c2c1N,C28997013_decoy,ADA,Decoy,0,-7.65621,-7.66,-0.76,-7.659663745510049
C[C@H](NC(=O)C[C@H]1NC(=O)NC1=O)c1ccc(-c2ccccc2)cc1,C29098790_decoy,ADA,Decoy,0,-7.43839,-5.24,-0.77,-4.714256905368198
Cc1ccc(OCC(=O)NNC(=O)NC2CCCCC2)c(C)c1,C12403343_decoy,ADA,Decoy,0,-7.99603,-7.8,-0.99,-7.675575884106446
C/C(=C/C(=O)Nc1ccc(Cl)cn1)NNC(=O)C1CCCCC1,C05288100_decoy,ADA,Decoy,0,-7.64031,-7.67,-0.03,-8.705414410069126
O=C(C[C@H]1NC(=O)c2ccccc2N=C1O)NCCC1=CCCCC1,C36594799_decoy,ADA,Decoy,0,-8.34011,-9.36,-0.52,-8.166685055249776
COc1ccccc1Nc1nc(NCCO)c2ccccc2n1,C04093417_decoy,ADA,Decoy,0,-8.08178,-7.53,-0.23,-8.076263112368672
CC(C)[C@@H](OC(=O)c1cc2c(s1)CCCCC2)C(=O)NC(N)=O,C08150725_decoy,ADA,Decoy,0,-8.74695,-7.87,-0.47,-8.480285463646164
C/C(=C/C(=O)NC12CC3CC(CC(C3)C1)C2)NNC(=O)c1ccco1,C04713782_decoy,ADA,Decoy,0,-7.57792,-8.58,-1.21,-9.242835867369674
Cc1ccc(S(=O)(=O)NCNC(=O)Nc2ccccc2C)cc1,C38712423_decoy,ADA,Decoy,0,-7.97713,-7.71,-0.49,-9.62149081445997
CCC(CC)[C@H]1NN=C(NC(=O)c2[nH]c(C)c(C(C)=O)c2C)S1,C38743670_decoy,ADA,Decoy,0,-7.91295,-6.69,-1.04,-7.264156275656938
CC(C)C[C@H](NC(=O)NC1CCCCC1)C(=O)NCc1ccco1,C41263804_decoy,ADA,Decoy,0,-7.45973,-6.67,-3.96,-6.146075106905595
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)NC1CCCCC1,C42084289_decoy,ADA,Decoy,0,-6.16397,-8.4,-1.29,-8.465218244195377
CC(C)[C@H](C)NC(=O)Nc1ccc(NC(=O)c2ccco2)cc1,C43977727_decoy,ADA,Decoy,0,-7.13543,-6.91,-0.9,-5.851012997859978
C[C@H](Cc1ccco1)NC(=O)N[C@H](C)c1ccc2c(c1)CCC(=O)N2,C44970300_decoy,ADA,Decoy,0,-8.1028,-8.84,-1.17,-8.064257000293201
CC1(C)Cc2cccc(OC(=O)c3ccc(CNC(N)=O)cc3)c2O1,C48867520_decoy,ADA,Decoy,0,-8.56666,-7.45,-0.65,-6.79497797782834
Nc1c(Cl)cc(C(=O)NC(C2CC2)C2CC2)cc1[N+](=O)[O-],C50710777_decoy,ADA,Decoy,0,-6.50982,-6.75,-0.17,-5.2899246485148845
Cc1cccc(O[C@@H](C)C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1,C53848325_decoy,ADA,Decoy,0,-6.74647,-7.74,-3.72,-6.128151961147756
Cc1ccc(C)c(OCC(=O)NCc2ccc3[nH]c(=O)[nH]c3c2)c1C,C55401391_decoy,ADA,Decoy,0,-8.14846,-9.07,-0.91,-7.914166383636574
CCOc1ccc(NCC(=O)NC(=O)NC2CCCC2)c(C)c1,C55887621_decoy,ADA,Decoy,0,-7.51165,-7.55,-0.4,-7.29385128147118
C[C@@H](NC(=O)CNC(=O)NCc1ccco1)c1cccc(Cl)c1,C56127821_decoy,ADA,Decoy,0,-8.12126,-6.13,-0.57,-5.619771063833322
C[C@@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccc(F)c(Cl)c1,C57148001_decoy,ADA,Decoy,0,-5.69998,-7.67,-0.55,-6.895823256193919
COc1ccccc1CN1C(=O)/C(=N\NC(N)=S)c2ccccc21,C46085044_decoy,ADA,Decoy,0,-8.31803,-7.15,-0.34,-10.086101747788128
COc1ccccc1N1CC[C@@H](CNc2cc(Cl)nc(N)n2)C1,C58413543_decoy,ADA,Decoy,0,-8.40968,-6.44,-0.9,-7.276837519485944
CC[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccc(Cl)cc1,C10918483_decoy,ADA,Decoy,0,-7.28851,-8.35,-1.15,-8.008638861533075
CCN(CC)C(=O)c1ccc(Nc2cc(Cl)nc(N)n2)cc1,C45010750_decoy,ADA,Decoy,0,-7.31343,-7.99,-0.72,-9.747851051777731
C=CCc1cc(/C=N/NC(=O)c2cccc(O)c2)cc(OCC)c1O,C59678905_decoy,ADA,Decoy,0,-9.64396,-7.72,-2.06,-9.86437725754696
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)N[C@@H](C)Cc1ccco1,C61600813_decoy,ADA,Decoy,0,-6.89424,-7.12,-2.06,-8.051903756316772
NNc1ccc(Cl)c(CSc2ccc([N+](=O)[O-])cc2)n1,C61640146_decoy,ADA,Decoy,0,-9.34598,-6.74,-0.26,-7.399877122395214
[NH3+]Cc1nnn(-c2cccc(C(=O)[O-])c2)c1Cc1cccs1,C62241195_decoy,ADA,Decoy,0,-7.48857,-8.19,-0.02,-8.949890027910575
O=C(NCCCOC1CCCC1)NNC(=O)c1ccc(Cl)cc1,C64241775_decoy,ADA,Decoy,0,-8.73162,-8.39,-0.84,-12.627229407184188
Cc1cc(C)n(Cc2cccc(CNc3cc(Cl)nc(N)n3)c2)n1,C53573298_decoy,ADA,Decoy,0,-8.48671,-7.71,-1.13,-8.698438302586181
Cc1cc(F)ccc1NC(=O)NCCNC(=O)OC(C)(C)C,C65358086_decoy,ADA,Decoy,0,-6.60456,-5.72,-0.32,-5.1036818587190895
CSc1ccc(NC(=O)NCCNC(=O)OC(C)(C)C)cc1,C65359593_decoy,ADA,Decoy,0,-7.57362,-7.67,-0.95,-10.964645900106548
C[C@H](NC(=O)C1CCC1)C(=O)Nc1cc(CC2CCCCC2)n[nH]1,C66075467_decoy,ADA,Decoy,0,-8.20233,-9.26,-1.26,-8.557197399857143
CCNC(=O)c1c(C)nc(N)nc1COc1ccc(Cl)cc1C,C66136097_decoy,ADA,Decoy,0,-9.09882,-7.42,-1.6,-7.773719799776867
CCOc1cc2c(cc1NC(=O)NC[C@](C)(O)CC)O[C@H](C)C2,C66158677_decoy,ADA,Decoy,0,-7.99761,-6.37,-0.96,-6.323495273565603
CC(C)(C)CC(C)(C)NC(=O)c1ccc(-n2ncc(C#N)c2N)cc1,C66240156_decoy,ADA,Decoy,0,-8.18531,-6.89,-1.23,-5.91682640407016
O=C(NC[C@@H]1CCN(c2ccc(F)cc2)C1)NNc1ccccn1,C66343125_decoy,ADA,Decoy,0,-7.48687,-7.65,-0.49,-9.072439023319342
CC(C)NC(=O)NC(=O)[C@@H](C)Nc1cccc(N2CCCCC2)c1,C66389805_decoy,ADA,Decoy,0,-7.51097,-7.57,-0.42,-6.643007461466034
CCOCC(=O)NNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1,C66653817_decoy,ADA,Decoy,0,-7.40776,-8.52,-0.76,-12.900526127762932
Cc1cccc(C(=O)NNC(=O)C[C@H](C)NC(=O)c2ccccc2)c1,C66784073_decoy,ADA,Decoy,0,-7.22481,-10.55,-3.39,-8.867840984706232
C[C@@H](CCc1ccco1)NC(=O)NNC(=O)CC1CCCCC1,C67039828_decoy,ADA,Decoy,0,-7.97859,-7.02,-1.53,-6.143158692915143
C[C@H](CC[C@H]1CCCO1)NC(=O)NNC(=O)CC1CCCCC1,C67080916_decoy,ADA,Decoy,0,-8.15291,-8.58,-1.28,-8.026092473616895
CC(C)CCC(=O)NNC(=O)NCc1ccc2c(c1)CCCN2C,C67104547_decoy,ADA,Decoy,0,-8.04815,-8.6,-0.4,-8.18752718596894
CC(C)(C)NC(=O)CNC(=O)c1ccc(-n2cccc2)cc1O,C67289799_decoy,ADA,Decoy,0,-7.2376,-6.45,-0.55,-6.179151615011158
COc1cccc(C(=O)NNC(=O)/C=C(\C)c2ccccc2F)c1O,C67466335_decoy,ADA,Decoy,0,-7.49152,-7.32,-0.47,-5.886081204759899
CCOc1ccc(C(=O)NNC(=O)N[C@@H]2C[C@@H]2c2ccccc2)cc1,C67612812_decoy,ADA,Decoy,0,-7.39409,-8.3,-0.7,-8.843098121169263
CCCNC(=O)O[C@@H]1CC[C@]2(C)[C@H](CC[C@@H](O)[C@H]2CC(=O)NCc2ccc(F)cc2)[C@]1(C)CO,C04236695_decoy,ADA,Decoy,0,-11.4436,-5.56,-1.7,-6.666899574785295
CCOC(=O)[C@@](NC(=O)c1cccc(Cl)c1)(Nc1ccc(S(N)(=O)=O)cc1)C(F)(F)F,C01889928_decoy,ADA,Decoy,0,-10.1536,-7.89,-1.75,-10.10264082444588
Cc1c(Cl)c(C(F)(F)F)nn1CCCNC(=S)Nc1ccc(S(N)(=O)=O)cc1,C02858717_decoy,ADA,Decoy,0,-10.3988,-8.53,-1.33,-8.393496901074824
CC(=O)Nc1cccc(NC(=S)N[C@H](NC(=O)c2cccc([N+](=O)[O-])c2)C(Cl)(Cl)Cl)c1,C08858768_decoy,ADA,Decoy,0,-9.30422,-8.48,-1.57,-8.400498950244614
COCCOC(=O)c1c(NC(=O)CNc2ccc(Cl)c(C(F)(F)F)c2)sc(C(N)=O)c1C,C03444079_decoy,ADA,Decoy,0,-10.2177,-7.95,-1.27,-13.69504945052686
O=C(C[C@@H](CNC(=O)[C@@H]1CCC[NH2+]1)c1ccc(Cl)cc1)N[C@H](C(=O)[O-])c1ccccc1,C09170785_decoy,ADA,Decoy,0,-7.49671,-6.95,-1.3,-6.363825981950305
CCOCCCNc1sc(C(=O)c2ccc(Cl)cc2)c(N)c1C(=O)NCCOC,C09373146_decoy,ADA,Decoy,0,-9.98453,-7.66,-0.88,-12.36761370010005
NC(=O)N[C@@H](CC(=O)OCC(=O)Nc1ccccc1-c1ccccc1)c1ccc(Cl)cc1,C10213500_decoy,ADA,Decoy,0,-7.2621,-10.39,-1.4,-9.2549946440274
CCc1cccc(CC)c1NC(=O)CN(CC)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C10430688_decoy,ADA,Decoy,0,-8.77558,-9.73,-2.46,-8.8684428888621
CC(C)(C)c1ccc(C(=O)NCC(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)cc1,C10609609_decoy,ADA,Decoy,0,-9.5168,-9.9,-0.73,-10.02353824766471
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1Cl)C(=O)NCc1ccc(CS(N)(=O)=O)cc1,C10706402_decoy,ADA,Decoy,0,-11.3228,-8.87,-1.74,-9.575910370059562
CC(C)CN(C(=O)CNc1ccccc1C(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C11621625_decoy,ADA,Decoy,0,-9.00361,-7.1,-0.99,-6.704108736329551
Cc1ccc(S(=O)(=O)N2CCOCC2)cc1C(=O)NC(=S)NNC(=S)NC1CCCCC1,C12623248_decoy,ADA,Decoy,0,-11.7714,-8.38,-0.89,-9.615325909845836
CC(C)C(=O)NCCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1,C12804934_decoy,ADA,Decoy,0,-9.76877,-8.77,-1.63,-8.830656044333477
Cc1cc[nH+]c(NCCCCC(=O)NCC(=O)N[C@@H](CC(=O)[O-])c2cc(Cl)cc(Cl)c2)c1,C13472614_decoy,ADA,Decoy,0,-11.5798,-8.83,-3.2,-10.186319474380468
O=C([O-])C[C@H](NC(=O)CNC(=O)CCCCNc1cccc[nH+]1)c1ccc(-c2ccccc2)cc1,C13472620_decoy,ADA,Decoy,0,-10.0849,-9.45,-2.14,-9.921590618582476
CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1,C13621158_decoy,ADA,Decoy,0,-9.66309,-7.3,-0.45,-7.571066894146018
Cc1cc(C)nc(N/C(=N/C(=S)NC[C@H]2CCCO2)NCCc2c[nH]c3ccccc23)n1,C14158161_decoy,ADA,Decoy,0,-9.3793,-8.75,-1.56,-9.086363382862803
CC(=O)NCCNC(=O)c1cc(NC2CCCC2)cc(S(=O)(=O)Nc2ccccc2C)c1,C14536044_decoy,ADA,Decoy,0,-10.1613,-8.39,-1.43,-8.900761453960808
CC(=O)NCCNC(=O)c1cc(NCc2ccccc2)cc(S(=O)(=O)Nc2ccccc2C)c1,C14537006_decoy,ADA,Decoy,0,-9.40216,-9.08,-2.51,-9.04701441086802
CC(C)NS(=O)(=O)c1cc(NC/C=C/c2ccco2)cc(C(=O)N[C@H]2CCCCNC2=O)c1,C14745317_decoy,ADA,Decoy,0,-9.97486,-8.06,-1.11,-9.36340044589924
COc1ccc(/C=C\C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)c3ccccc3)cc2)cc1OC,C15229863_decoy,ADA,Decoy,0,-9.63885,-8.11,-1.07,-11.907631106989728
O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1,C15898751_decoy,ADA,Decoy,0,-10.0298,-7.73,-1.57,-9.040553057500864
O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccccc1NS(=O)(=O)c1cccs1,C16187210_decoy,ADA,Decoy,0,-10.3803,-7.36,-1.55,-8.597419303992021
Cc1ccc(S(=O)(=O)N[C@H](CSCc2ccccc2)C(=O)N[C@@H](C(N)=O)C(C)C)cc1,C16887331_decoy,ADA,Decoy,0,-10.0241,-8.02,-1.09,-9.763906633375663
O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)NC(=O)NC1CCCCC1,C18248348_decoy,ADA,Decoy,0,-10.6396,-8.71,-2.36,-8.203111063987318
O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1)NC(=O)NC1CCCC1,C18248434_decoy,ADA,Decoy,0,-7.97038,-8.62,-3.27,-7.508057652478324
CCOC(=O)c1ccc(NC(=O)C2=C(C)NC(SCC(N)=O)=C(C#N)[C@H]2c2ccccc2)cc1,C12250142_decoy,ADA,Decoy,0,-9.94673,-6.88,-0.99,-7.989937601525014
C[C@H](NC(=O)COC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)C12CC3CC(CC(C3)C1)C2,C20973458_decoy,ADA,Decoy,0,-10.3184,-7.53,-1.39,-7.372385232763291
C[C@@H](OC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(C(F)(F)F)cc1,C21119721_decoy,ADA,Decoy,0,-10.2964,-9.51,-0.86,-10.272066661664232
NC(=O)N[C@H](CC(=O)OCC(=O)Nc1ccccc1Oc1ccccc1)c1ccccc1Cl,C21136911_decoy,ADA,Decoy,0,-10.0656,-9.02,-1.64,-9.445909956877037
C[C@H](NC(=O)COC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl,C21237935_decoy,ADA,Decoy,0,-9.81571,-9.01,-1.94,-9.346166125559472
O=C(COc1ccccc1)NCC(=O)NNC(=S)Nc1cc(C(F)(F)F)ccc1Cl,C21392372_decoy,ADA,Decoy,0,-8.13863,-9.39,-1.21,-11.263829613589955
CCOC(=O)C1=C(CN(C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)NC(=O)N[C@@H]1c1ccccc1,C22063277_decoy,ADA,Decoy,0,-9.37727,-9.15,-0.9,-9.238184828606082
CC(C)OC(=O)c1c(NC(=O)COC(=O)c2ccc(NC(N)=O)cc2)sc2c1CCCC2,C03408525_decoy,ADA,Decoy,0,-9.56681,-6.65,-1.52,-6.758057300486691
CC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)Nc1ccccc1C(=O)NCC(C)C,C23875877_decoy,ADA,Decoy,0,-9.50038,-9.59,-2.71,-9.92650661691253
CC(C)[C@H](NC(=O)c1c(F)cccc1F)C(=O)NNC(=S)NCc1ccc2c(c1)OCO2,C26851868_decoy,ADA,Decoy,0,-9.39076,-8.82,-0.55,-13.755774060011564
COCCOc1ccccc1C(=O)NC(=S)NNC(=O)c1ccc(NC(=O)c2ccccc2)cc1,C14660703_decoy,ADA,Decoy,0,-9.82017,-9.02,-0.9,-11.598723599445632
Cc1cccc(C)c1NC(=O)CNC(=O)[C@H](C)OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2,C39579529_decoy,ADA,Decoy,0,-7.34257,-8.28,-0.87,-6.494569398282245
COCCC[NH+]1[C@@H](SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)NN[C@H]1c1ccc(Cl)cc1,C39722394_decoy,ADA,Decoy,0,-9.67982,-9.44,-2.15,-8.645473455374725
COc1ccc(CNC(=S)N/N=C(C)\C=N\NC(=S)NCc2ccc(OC)cc2)cc1,C16855308_decoy1,ADA,Decoy,0,-8.13864,-8.02,,-9.159113364921442
C=CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H](O)[C@H]2CC(=O)NCc2cccs2)[C@]1(C)CO,C43553778_decoy,ADA,Decoy,0,-10.6957,-6.72,-0.71,-8.240177327311443
CCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H](O)[C@H]2CC(=O)NCc2ccco2)[C@]1(C)CO,C43553860_decoy,ADA,Decoy,0,-10.1733,-5.01,-2.28,-6.225800503707839
CCCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H](O)[C@H]2CC(=O)NCc2ccc3c(c2)OCO3)[C@]1(C)CO,C43553870_decoy,ADA,Decoy,0,-10.2189,-8.54,-1.77,-8.960683669311685
O=C(CCCNC(=O)NC1CCCCC1)NCc1ccccc1OCC(=O)NC[C@@H]1CCCO1,C59412053_decoy,ADA,Decoy,0,-8.73881,-7.83,-2.53,-6.901467865339872
CC(C)(C)NC(=O)c1ccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1,C66085804_decoy,ADA,Decoy,0,-9.63295,-9.75,-0.74,-9.650864293467384
CC(C)(C)NC(=O)c1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)cc1,C66086139_decoy,ADA,Decoy,0,-8.4332,-7.91,-2.62,-8.381270390311075
CC(C)(C)NC(=O)c1cccc(NCC(=O)Nc2ccc(C(=O)NCc3ccco3)cc2)c1,C66108349_decoy,ADA,Decoy,0,-9.14733,-8.73,-3.6,-12.19240313143569
COCCNC(=O)c1ccc(NC(=O)CNc2ccc(C(=O)NC3CCCCC3)cc2)cc1,C66108858_decoy,ADA,Decoy,0,-9.85115,-7.38,-1.26,-8.329696354264193
COc1ccc(CNC(=S)N/N=C/C(C)=N/NC(=S)NCc2ccc(OC)cc2)cc1,C16855308_decoy2,ADA,Decoy,0,-9.17784,-8.18,,-8.577155305693484
CC1=C(C(=O)OC2CCCC2)[C@@H](c2cccc(O)c2)NC(=O)N1,C00115919_decoy,ADA,Decoy,0,-8.20863,-8.14,-0.28,-8.12946711754083
CC1=C(C(=O)OCC(F)(F)F)[C@H](c2ccc(O)cc2)NC(=O)N1,C00036440_decoy,ADA,Decoy,0,-6.80029,-8.09,-1.25,-7.402436438308827
COCCOc1cc(O)c2c(c1N)C(=O)c1ccccc1C2=O,C04973203_decoy,ADA,Decoy,0,-8.08294,-6.17,-0.66,-6.097187469836069
CCCCc1cc(C)nc(NS(=O)(=O)c2ccc(N)cc2)n1,C04526618_decoy,ADA,Decoy,0,-8.96756,-5.83,-0.84,-5.935498341354716
NC(=O)N/N=C/c1sc(=O)n(Cc2ccccc2)c1Cl,C00546571_decoy,ADA,Decoy,0,-8.65766,-6.63,0.13,-6.416352510493012
CC(C)C(=O)Nc1ccc(C(=O)N/N=C/c2ccc[nH]2)cc1,C08558505_decoy,ADA,Decoy,0,-7.19272,-5.21,-0.67,-4.731388287144172
COc1ccc(/C=N/NC(=O)c2sc3ncccc3c2N)cc1,C09482482_decoy,ADA,Decoy,0,-7.05273,-8.71,-0.25,-5.960691419653946
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)CNc1cccc(C#N)c1,C11253679_decoy,ADA,Decoy,0,-7.66514,-6.17,0.26,-5.987519941378498
C[C@@H]1CCCC[C@H]1NC(=O)NC(=O)CNc1cccc(C#N)c1,C11253690_decoy,ADA,Decoy,0,-7.53862,-8.38,-0.61,-11.079881228400035
C=CCNC(=S)N/N=C/c1c(O)c2ccccc2n(C)c1=O,C16364013_decoy,ADA,Decoy,0,-8.09448,-6.74,-1.28,-8.702225070653354
CCOc1ccc(S(=O)(=O)NC2CCCCC2)cc1C(N)=O,C16692170_decoy,ADA,Decoy,0,-8.53982,-7.98,-0.33,-8.329186201730465
CC(C)NC(=S)NNC(=O)c1cc(-c2ccccc2)on1,C21840497_decoy,ADA,Decoy,0,-6.83847,-6.64,-0.19,-5.645849206826823
C[C@@H]1CCCC[C@@H]1NC(=O)[C@@H](C)Sc1ncc(C#N)c(N)n1,C22033143_decoy,ADA,Decoy,0,-8.66934,-6.13,-0.63,-5.999678049333124
C[C@@H]1CCCC[C@H]1NC(=O)[C@@H](C)Sc1ncc(C#N)c(N)n1,C22033151_decoy,ADA,Decoy,0,-10.5106,-6.93,-0.56,-8.386177383065787
Nc1ccc(C(=O)N[C@H]2CCC[C@H](C(F)(F)F)C2)cc1[N+](=O)[O-],C23386934_decoy,ADA,Decoy,0,-4.74287,-6.81,-0.59,-4.023344596213432
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NC1CCCC1,C31026362_decoy,ADA,Decoy,0,-6.92587,-6.47,-0.59,-5.882334152059289
CS(=O)(=O)Nc1cccc(NC(=O)c2ccccc2O)c1,C31133757_decoy,ADA,Decoy,0,-8.15219,-8.86,-0.84,-7.971906914777533
CCCCc1ccc(-c2cc(=O)[nH]c3[nH]c(=O)[nH]c(=O)c23)s1,C32200321_decoy,ADA,Decoy,0,-8.12595,-8.11,-0.41,-6.996756308777905
CCc1ccc(S(=O)(=O)N/N=C\c2ccc(O)c(O)c2)cc1,C32575702_decoy,ADA,Decoy,0,-8.44132,-7.65,-1.14,-7.495361480732238
C[C@@H](OC(=O)C1CCCCC1)C(=O)Nc1ccc(C(N)=O)cc1,C06376914_decoy,ADA,Decoy,0,-8.07164,-7.56,-1.63,-7.801195212060379
C[C@H](NC(=O)c1ccc(N)c([N+](=O)[O-])c1)c1ccccc1F,C36624228_decoy,ADA,Decoy,0,-5.89406,-6.74,-1.01,-5.248187199909121
O=[N+]([O-])c1ccc(Cl)cc1NCc1ccc(O)c(O)c1,C36970501_decoy,ADA,Decoy,0,-6.33937,-7.68,-0.76,-6.649532048850954
CC(C)(C)c1nc2ccc(N)cn2c1C[NH+]1CCC(C(=O)[O-])CC1,C36270831_decoy,ADA,Decoy,0,-8.04908,-6.68,-0.25,-8.556029865857319
C[C@@H](Nc1ccc2c(c1)NC(=O)[C@@H](C)O2)C(=O)NC(C)(C)C,C40468826_decoy,ADA,Decoy,0,-7.08692,-7.63,-2.25,-6.147121262606548
C[NH+]1CC[C@H](CNC(=O)Nc2cc(C(=O)[O-])ccc2Cl)C1,C40597154_decoy,ADA,Decoy,0,-6.73614,-6.17,-0.11,-4.890284120544481
CC(=O)c1ccc(Nc2ncnc(N3CCC[C@@H](C)C3)c2N)cc1,C40731089_decoy,ADA,Decoy,0,-7.35567,-8.43,0.14,-6.923791806930622
CCCSc1nc2n(n1)[C@H](c1ccccc1)C(C(N)=O)=C(C)N2,C40983003_decoy,ADA,Decoy,0,-6.43195,-7.83,-0.5,-7.214393515348021
CC(C)[C@@H](C)NC(=O)NNC(=O)[C@@H](C)Oc1ccccc1F,C43069699_decoy,ADA,Decoy,0,-7.4982,-8.21,-0.42,-8.51420555584721
CC(C)(C)c1ccc(NC(=O)c2ccc(S(N)(=O)=O)o2)cc1,C47932294_decoy,ADA,Decoy,0,-8.94247,-8.87,-0.36,-9.12490349693972
COc1c(Cl)cc(C(=O)NNC(=O)NC(C)C)cc1Cl,C49468607_decoy,ADA,Decoy,0,-7.24432,-5.96,-1.09,-4.934067894515664
C[C@H](Nc1ncccc1C#N)c1ccc(NC(=O)NC2CC2)cc1,C52313799_decoy,ADA,Decoy,0,-7.65608,-7.43,-1.49,-6.098150093482859
COc1ccc(-c2cc(Nc3ccccn3)nc(N)n2)cc1,C19926765_decoy,ADA,Decoy,0,-8.28878,-8.78,-1.55,-7.70346153144485
C[C@@H]1CCC[C@@H](Sc2ccc(/C(N)=N/O)cc2[N+](=O)[O-])C1,C54691242_decoy,ADA,Decoy,0,-4.7289,-7.33,-0.93,-5.134691625078396
CC(C)Oc1ccc(N[C@@H](C)C(=O)NC(=O)NC2CC2)cc1,C56173457_decoy,ADA,Decoy,0,-7.27849,-6.08,-0.15,-5.960952237940071
CCNC(=O)NC(=O)[C@H](C)Nc1ccc(N2CCCC2)c(F)c1,C56203196_decoy,ADA,Decoy,0,-7.71754,-6.96,-0.58,-6.742079607107687
Cc1ccc(N/C(N)=N\c2nc(C)cc(N3CCCC3)n2)c(C)c1,C06195277_decoy,ADA,Decoy,0,-7.99626,-6.7,0.23,-7.227500061047986
Cc1cccc2c1N=C(O)/C2=N\NC(=S)NC[C@H]1CCCO1,C03578719_decoy,ADA,Decoy,0,-7.92283,-7.46,-1.22,-7.597246371372975
CC(C)[C@H](C)NC(=O)Nc1ccc(-c2nc(C3CC3)n[nH]2)cc1,C60364365_decoy,ADA,Decoy,0,-7.40427,-7.33,-1.88,-6.649349123850282
NNc1ccc(COc2cccc(F)c2F)cc1[N+](=O)[O-],C62654027_decoy,ADA,Decoy,0,-7.63693,-9.36,-0.72,-7.93995363494514
COc1ccc(N)c(NS(=O)(=O)N(C)C2CCCCC2)c1,C63212876_decoy,ADA,Decoy,0,-8.82475,-7.4,-2.83,-8.524495907601795
Cc1ccccc1NCC(=O)N/N=C1/C(=O)Nc2ccccc21,C05687833_decoy,ADA,Decoy,0,-7.36183,-9.66,-0.08,-13.771179376206623
CCC1=C(C)[C@H](NC(=O)c2cccc(=O)[nH]2)N(c2ccccc2)N1,C63883700_decoy,ADA,Decoy,0,-7.63432,-7.18,-0.48,-6.815931449653215
CCCCC1CCC(CNC(=O)N2CCO[C@@H](C(N)=O)C2)CC1,C51712287_decoy,ADA,Decoy,0,-8.04087,-8.1,-0.88,-7.454322118597299
COc1ccc2c(c1)/C(=N\NC(=S)Nc1ccccc1)C(=O)N2,C05393940_decoy,ADA,Decoy,0,-9.16371,-7.04,-1.48,-6.24616780436289
Cc1ccc(S(=O)(=O)NNC(=O)NC2CCCC2)cc1C,C65833095_decoy,ADA,Decoy,0,-8.36384,-8.92,-0.34,-8.346068706847667
CC[C@](C)(O)CNC(=O)Nc1cc(OC)c(Cl)cc1OC,C66158249_decoy,ADA,Decoy,0,-8.08717,-5.95,-1.99,-5.965597957518417
NC(=O)c1oc2ccccc2c1NS(=O)(=O)C1CCCCC1,C66578413_decoy,ADA,Decoy,0,-7.64964,-7.48,-0.52,-7.700217159923441
CCOCC(=O)NNC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C,C66699244_decoy,ADA,Decoy,0,-8.24076,-6.52,-0.39,-7.542010724901497
COC(=O)Nc1cc(NC(=O)NC2CCCCC2)ccc1F,C67323530_decoy,ADA,Decoy,0,-7.19731,-7.6,-0.23,-7.345066197739484
COc1cccc(C(=O)NNC(=O)/C=C/c2cccc(C)c2)c1O,C67466072_decoy,ADA,Decoy,0,-7.82042,-9.48,-0.22,-13.104179656266895
COc1cc2[nH]c3c(NCCC[NH+](C)C)ncnc3c2cc1OC,C02426591_decoy,ADA,Decoy,0,-7.78003,-6.94,-0.59,-6.907870506120232
COC(=O)[C@@](NC(=O)c1ccco1)(Nc1cccc[nH+]1)C(F)(F)F,C05742623_decoy,ADA,Decoy,0,-6.36753,-5.81,-0.48,-5.017421295944327
COC(=O)c1c(NC(=O)C[NH+]2CCNC(=O)C2)sc2c1CCCC2,C07844724_decoy,ADA,Decoy,0,-8.38045,-5.81,-0.36,-6.190887196759748
CNC(=O)C1CC[NH+](CC(=O)N[C@H](C)c2ccc3c(c2)OCO3)CC1,C12333713_decoy,ADA,Decoy,0,-8.12424,-7.03,-0.7,-6.548108050763223
CCn1cc(CNC(=O)C[C@@H]2C(=O)NCC[NH+]2CC(C)(C)C)cn1,C19227825_decoy,ADA,Decoy,0,-7.84047,-7.73,-0.53,-8.514366091209142
COc1cc(OC)cc(C(=O)NCC(=O)NC2CC[NH+](C3CC3)CC2)c1,C29093026_decoy,ADA,Decoy,0,-7.83283,-7.67,-0.82,-7.516532741165681
CCCNC(=O)C[NH+]1CCC(NS(=O)(=O)N2CCC[C@@H](C)C2)CC1,C30424553_decoy,ADA,Decoy,0,-9.00164,-6.01,-2.49,-5.598707743157173
C=CCNC(=O)CN1CC[NH+]([C@@H](C)c2nc3ccccc3c(=O)[nH]2)CC1,C27559545_decoy,ADA,Decoy,0,-8.38374,-9.32,-1.07,-7.743673972339677
C[NH+](C)[C@@H](CNC(=O)NC[C@@H]1COc2ccccc2O1)c1ccco1,C40477807_decoy,ADA,Decoy,0,-7.40317,-6.74,-0.43,-6.886589683392998
O=c1[nH]c2c(c(=O)n1C1CCCCC1)CC[C@@H]2[NH2+]CCCn1ccnc1,C41104824_decoy,ADA,Decoy,0,-8.68464,-7.59,-0.71,-7.355789166772589
c1ccc(CNc2nnc(-c3coc([C@@H]4CCC[NH2+]C4)n3)o2)cc1,C44163285_decoy,ADA,Decoy,0,-8.72257,-7.24,-0.32,-7.06084390833489
CC(C)Cc1noc(C[NH+](C)[C@@H](C)c2ccc(S(N)(=O)=O)cc2)n1,C26121115_decoy,ADA,Decoy,0,-9.85555,-7.72,-2.04,-8.903268239329352
CC(C)c1noc(C[NH+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1,C45840946_decoy,ADA,Decoy,0,-9.37004,-7.65,-1.64,-7.640576843220811
C[NH+](CC(=O)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)C1CC1,C46601793_decoy,ADA,Decoy,0,-8.27123,-6.51,-1.17,-6.6308332451285255
CCCn1c(N)c(N2CCCCC2)c(=O)n(CC[NH+]2CCCC2)c1=O,C48235249_decoy,ADA,Decoy,0,-7.87281,-6.58,-0.92,-6.69142044607537
Cc1cc(N(C)C)ccc1NC(=O)C(=O)NC[C@H](c1ccco1)[NH+](C)C,C48732065_decoy,ADA,Decoy,0,-8.43634,-6.74,-1.45,-5.980895243366691
Cc1n[nH]c(=O)c2c(NC(=O)C[NH+](C)C(C3CC3)C3CC3)oc(C)c12,C50989093_decoy,ADA,Decoy,0,-8.21574,-8.01,-1.69,-8.15030045843026
CC(C)Oc1ccc(C#N)cc1NC(=O)C(=O)NC[C@@H](C)[NH+]1CCCC1,C54850589_decoy,ADA,Decoy,0,-8.56204,-6.3,-2.83,-6.567573669833577
C[C@@H]1C[C@@H](C)C[NH+](C(C)(C)CNC(=O)C(=O)Nc2nncs2)C1,C54947090_decoy,ADA,Decoy,0,-9.30243,-6.61,-1.43,-6.608110838340095
O=C(NC1CCCCC1)NC1CC[NH+](Cc2noc(C3CC3)n2)CC1,C55030048_decoy,ADA,Decoy,0,-8.34204,-7.18,-0.62,-6.393766251774448
C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@H](C(=O)Nc2nccs2)C1,C56795062_decoy,ADA,Decoy,0,-8.28991,-6.93,-2.33,-7.721478134325149
O=C(C[NH+](Cc1ccco1)Cc1ccco1)N[C@H]1CCCCNC1=O,C46037021_decoy,ADA,Decoy,0,-7.71471,-8.04,-1.85,-7.80197779246577
O=C(CN1CCC([NH+]2CCCCC2)CC1)NC(=O)NCc1ccco1,C52002349_decoy,ADA,Decoy,0,-7.91464,-7.59,-0.57,-7.441420044124493
CCNS(=O)(=O)NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1,C62440639_decoy,ADA,Decoy,0,-8.24622,-7.82,-1.86,-7.990044587544039
O=C(Nc1ccc(F)cc1)N[C@H]1CC[NH+](Cc2nc(C3CC3)no2)C1,C62639885_decoy,ADA,Decoy,0,-7.55464,-7.12,-1.2,-5.964222640020255
C#CCN(Cc1ccco1)C(=O)NC1CC[NH+](CC(=O)NC)CC1,C63402181_decoy,ADA,Decoy,0,-7.19016,-4.76,-1.71,-5.0149934388097535
CC(C)C[NH+](CCC(=O)NN1C(=O)NC2(CCCCC2)C1=O)C1CC1,C63493145_decoy,ADA,Decoy,0,-7.71364,-8.34,-0.87,-7.512211371670215
CN(C)c1ccc(/C=[NH+]/[C@@H](CO)[C@H](O)c2ccc([N+](=O)[O-])cc2)cc1,C00493723_decoy,ADA,Decoy,0,-9.33283,-8.51,-0.77,-11.028936487036235
c1cncc(-c2nc3c(c(NCCc4cnccn4)n2)CC[NH2+]CC3)c1,C65421514_decoy,ADA,Decoy,0,-8.58728,-7.56,-1.67,-6.873406116470628
CC(C)NC(=O)CN1CCN(C(=O)NC[C@H]2CC[NH+](C(C)C)C2)CC1,C65441907_decoy,ADA,Decoy,0,-8.47188,-7.84,-0.57,-7.814191146439651
CCCO[C@@H]1CCCN(C(=O)NC2CC[NH+](CC(=O)NC)CC2)C1,C65456139_decoy,ADA,Decoy,0,-7.8065,-4.45,-1.14,-4.754066667230208
N#Cc1ccc(NC[C@H]2CC[NH+](CC(=O)Nc3nccs3)C2)nc1,C65477995_decoy,ADA,Decoy,0,-7.76037,-7.95,-0.58,-6.497764195942982
CN(Cc1cc(-c2ccncc2)no1)c1nc(CC[NH3+])nc2ccccc12,C65498989_decoy,ADA,Decoy,0,-8.7684,-7.41,-0.85,-7.544312876197452
CCC1=c2ccccc2=[NH+][C@H]1C(=O)NCCS[C@@H]1NN=NN1C,C65501238_decoy,ADA,Decoy,0,-8.52468,-6.15,-0.92,-6.0151640823721495
CC[NH+]1CC[C@@H](CNC(=O)N(C)Cc2nc3ccccc3c(=O)[nH]2)C1,C65577125_decoy,ADA,Decoy,0,-7.38903,-6.78,-0.68,-5.340298024014795
C[C@@H]1CCC[NH+](C[C@@H](C)NC(=O)CN2C(=O)NC3(CCCC3)C2=O)C1,C55401795_decoy,ADA,Decoy,0,-8.09926,-8.62,-1.3,-7.772366597787522
NC(=O)CC[C@H]1CCC[NH+](Cn2nc(-c3ccccc3)oc2=O)C1,C66080213_decoy,ADA,Decoy,0,-7.67099,-7.82,-0.38,-6.456321244938721
Cc1noc(CNC(=O)NCC(C)(C)[NH+]2C[C@H](C)C[C@@H](C)C2)n1,C66187873_decoy,ADA,Decoy,0,-8.1554,-5.75,-1.69,-5.549269925203864
N#Cc1cccnc1NCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1,C66188837_decoy,ADA,Decoy,0,-7.56576,-7.46,-0.81,-6.958043589656047
COC(=O)N1CCC(NC(=O)NCCC[NH+]2CCCC[C@@H]2C)CC1,C66362737_decoy,ADA,Decoy,0,-7.78447,-6.29,-1.08,-5.69768736607478
COC(=O)N1CCC(NC(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)CC1,C66363358_decoy,ADA,Decoy,0,-8.12779,-7.9,-1.16,-7.5211764975446975
CCN(Cc1ccc2c(c1)OCO2)C(=O)C[NH+]1CCCC[C@H]1C(N)=O,C66563394_decoy,ADA,Decoy,0,-8.77906,-7.49,-0.74,-7.310762351934974
CCN(Cc1ccc(C[NH+](C)C)cc1)C(=O)c1ccc(N)c([N+](=O)[O-])c1,C66726811_decoy,ADA,Decoy,0,-7.26885,-8.44,-1.98,-7.864123617937287
Cc1occc1C(=O)NC1CC[NH+](CC(=O)N[C@H](C)c2ccco2)CC1,C66891154_decoy,ADA,Decoy,0,-7.61703,-8.39,-0.57,-7.707212824774284
CC[NH+](C)CCNC(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1,C67002067_decoy,ADA,Decoy,0,-7.79652,-7.08,-2.28,-7.55941751556288
CC1CC[NH+]([C@@H](C)CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)CC1,C67271843_decoy,ADA,Decoy,0,-8.11122,-6.73,-1.64,-6.220775427045799
C[C@@H](CNC(=O)C(=O)Nc1ccc(-c2csnn2)cc1)[NH+]1CCCC1,C67344294_decoy,ADA,Decoy,0,-9.50159,-6.49,-0.36,-6.197880908648064
Cc1noc(CCCNC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)n1,C67408695_decoy,ADA,Decoy,0,-8.04475,-6.15,-1.61,-5.177523542735066
CC(C)NC(=O)[C@@H](C)[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1,C67446038_decoy,ADA,Decoy,0,-8.66514,-5.13,-0.31,-4.832909336202449
CC(C)(CNC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCCC1,C67624572_decoy,ADA,Decoy,0,-8.67783,-6.18,-2.4,-5.398127266368514
CC(C)[C@@H](c1nnnn1C1CCCCC1)[NH+]1CCC(C(N)=O)CC1,C04849680_decoy,ADA,Decoy,0,-8.21912,-8.36,-0.36,-7.784126391945839
CC[C@]1(c2ccccc2)NC(=O)N(NC(=O)C[NH+]2CCCCCC2)C1=O,C07339695_decoy,ADA,Decoy,0,-8.14166,-5.67,-0.58,-5.3495526640867785
CCOC(=O)C1CC[NH+]([C@@H](C)C(=O)NC(=O)NC2CCCCC2)CC1,C07812070_decoy,ADA,Decoy,0,-8.00361,-6.63,-1.45,-6.080677250283384
CCOC(=O)C1CC[NH+]([C@H](C)C(=O)NC(=O)NC2CCCCC2)CC1,C07812072_decoy,ADA,Decoy,0,-8.05827,-6.61,-0.78,-6.635796648108094
CC[NH+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccccc1,C14122527_decoy,ADA,Decoy,0,-7.80807,-8.04,0.03,-8.107785438123152
NS(=O)(=O)c1ccc(CC/[NH+]=C/c2ccccc2[N+](=O)[O-])cc1,C03252041_decoy,ADA,Decoy,0,-8.39299,-8.24,-1.26,-8.127818587250351
[NH3+]CCCN1C(=O)/C(=C\c2ccccc2)Oc2ccc([N+](=O)[O-])cc21,C20338347_decoy,ADA,Decoy,0,-7.65154,-7.27,-0.31,-6.342694414674979
COc1cccc2c1OC[C@@H]([NH2+]CCc1n[nH]c(-c3cccnc3)n1)C2,C20661153_decoy,ADA,Decoy,0,-7.6299,-8.82,0.16,-7.983891174788983
Cc1nc(CCNc2[nH+]c(N(C)C)nc3c2CCCC3)cc(=O)[nH]1,C23478333_decoy,ADA,Decoy,0,-9.07774,-8.03,-1.2,-7.90777346776187
c1n[nH]c(Sc2ccc(C[NH+]3CCC4=NN[C@H](C5CCC5)[C@@H]4C3)o2)n1,C39438323_decoy,ADA,Decoy,0,-11.4684,-9.07,-1.61,-9.318746699864771
O=C(COC(=O)[C@H]1C=c2ccccc2=[NH+]1)NC(=O)NCc1cccs1,C39460592_decoy,ADA,Decoy,0,-8.29764,-7.28,-0.47,-10.214602831720676
CCc1ccc(NC(=O)C(=O)N/N=C/[C@@H]2C=c3ccccc3=[NH+]C2=O)cc1,C39949003_decoy,ADA,Decoy,0,-7.64689,-7.74,-1.04,-5.472776978309058
CC1(C)NC(=O)N(CCC[NH+]2CCN(c3ccccc3O)CC2)C1=O,C40515848_decoy,ADA,Decoy,0,-7.34488,-9.1,-0.86,-6.508432125745662
C[C@@H]1CCCC[NH+]1[C@@H](C)CNC(=O)C(=O)Nc1ccc(OCC#N)cc1,C41645462_decoy,ADA,Decoy,0,-8.98782,-5.8,-1.33,-5.60252011160202
CC(C)NC(=O)CN1CCN(C(=O)NCC2([NH+](C)C)CCCC2)CC1,C43150943_decoy,ADA,Decoy,0,-8.6422,-8.45,-0.38,-8.90145017684974
Cn1nc(C(C)(C)C)cc1NC(=O)C[NH+]1CCC[C@@H](C(=O)NC2CC2)C1,C51044474_decoy,ADA,Decoy,0,-8.40507,-8.02,-0.84,-7.498774171370716
Cc1c(Cl)cc(S(=O)(=O)NC[C@H]2CCC[NH2+]2)cc1[N+](=O)[O-],C53254428_decoy,ADA,Decoy,0,-7.16703,-6.06,-0.8,-5.156945597419162
CC[NH+](CC(=O)NC)CC(=O)N1c2ccccc2NC(=O)C[C@@H]1C,C56509473_decoy,ADA,Decoy,0,-7.84821,-7.66,-0.48,-7.577867715352402
CC(C)(CNC(=O)CNC(=O)c1ccc2c(c1)OCO2)[NH+]1CCCCC1,C57383893_decoy,ADA,Decoy,0,-7.91505,-8.68,-2.26,-13.682641623848347
CC[NH+](CC)CCn1/c(=N/C(=O)c2ccc(=O)[nH]c2)[nH]c2ccccc21,C24149235_decoy,ADA,Decoy,0,-8.1985,-8.34,-0.52,-8.656013135774888
NC(=O)C[NH+]1CCCN(c2ccc(C(F)(F)F)cc2[N+](=O)[O-])CC1,C54389044_decoy,ADA,Decoy,0,-5.44913,-7.51,-0.45,-5.453089265782192
CCOC(=O)N1CCC(NC(=O)NCC2([NH+](C)C)CCCC2)CC1,C47833427_decoy,ADA,Decoy,0,-7.96734,-7.94,-0.78,-8.186021623102183
CCNC(=O)[C@H]1CCCN(C(=O)NC[C@H](c2ccco2)[NH+](C)C)C1,C61795143_decoy,ADA,Decoy,0,-7.62181,-6.37,-0.53,-6.691492955034463
CN(C)c1nc(N)nc(CN2CC[NH+](CC3CCCCC3)CC2)n1,C64129492_decoy,ADA,Decoy,0,-9.79944,-8.62,-1.47,-8.735087253359206
CC(C)(C)CC[NH+]1CCN(C(=O)c2cc(F)cc([N+](=O)[O-])c2N)CC1,C64308887_decoy,ADA,Decoy,0,-6.08162,-8.29,-1.07,-5.918663494992213
CC(C)(C)CC[NH+]1CCN(C(=O)CNC(=O)NCc2ccco2)CC1,C64308898_decoy,ADA,Decoy,0,-7.67991,-8.01,-1.31,-7.674715999646176
C[C@@H](C(=O)Nc1ccc2c(c1)OCO2)[NH+]1CCC[C@@H](C(=O)NC2CC2)C1,C65251940_decoy,ADA,Decoy,0,-8.26006,-8.74,-0.71,-7.872251018754477
Cn1nnnc1SCC[NH2+]CC(=O)NC1CCCCCCC1,C65371431_decoy,ADA,Decoy,0,-8.57932,-7.97,-0.53,-7.679084469485665
CN(Cc1ccc2c(c1)OCCO2)C(=O)NCCNc1cccc[nH+]1,C65390782_decoy,ADA,Decoy,0,-8.88894,-8.14,-0.73,-7.9588881818909
CC(C)[NH+]1CCNC(=O)[C@H]1CC(=O)NCC1=CN=N[C@@H]1c1cccs1,C65455455_decoy,ADA,Decoy,0,-8.41941,-8.35,-1.13,-10.53611900825295
CCc1cc(N(C)Cc2cnc(N)nc2)nc(N2CCCCC2)[nH+]1,C65464361_decoy,ADA,Decoy,0,-9.69614,-7.99,-1.26,-9.655756947678276
C[C@@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)NCc2nc(C3CC3)no2)C1,C54725400_decoy,ADA,Decoy,0,-8.83518,-8.61,-0.96,-8.577004105107056
O=C(NC1CCCCC1)NC1CC[NH+](CCCN2CCOC2=O)CC1,C65952379_decoy,ADA,Decoy,0,-8.2706,-8.74,-0.92,-7.236389442177286
CC(C)CNC(=O)CNC(=O)N(C)C1CC[NH+](C2CCOCC2)CC1,C66191897_decoy,ADA,Decoy,0,-8.21586,-7.58,-0.82,-7.288457730048754
CCCC[NH+]1CCCC[C@H]1CNC(=O)N[C@@H]1CCCN(C(=O)OC)C1,C66598999_decoy,ADA,Decoy,0,-8.3459,-6.83,-2.34,-7.1585310174321
CC[NH+]1CCC(n2nccc2NC(=O)[C@H](C)NC(=O)C2CCCC2)CC1,C66663149_decoy,ADA,Decoy,0,-8.74177,-7.43,-0.32,-7.694251899564133
C[C@@H]1CC(=O)Nc2ccccc2N1C(=O)C[NH+](C)CC(=O)NC1CC1,C07792639_decoy,ADA,Decoy,0,-7.54287,-7.3,-1.19,-9.685062753487962
COC(=O)[C@@H]1CCC[NH+](CC(=O)NC(=O)NC2CCCCC2)C1,C66835854_decoy,ADA,Decoy,0,-7.9587,-5.97,-2.17,-5.638576614753081
Cc1occc1C(=O)NC1CC[NH+](CC(=O)N[C@@](C)(C#N)C(C)C)CC1,C66891647_decoy,ADA,Decoy,0,-8.21225,-7.45,-0.9,-7.6402857994149
CC1CC[NH+]([C@@H](C)CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)CC1,C67271838_decoy,ADA,Decoy,0,-7.64047,-7.42,-3.99,-6.377428613000009
CC(=O)c1ccc(NC[C@@H](O)C[NH+]2CCC(C)CC2)c([N+](=O)[O-])c1,C67373325_decoy,ADA,Decoy,0,-7.45742,-8.6,-1.92,-8.086754621538796
C[NH+]1CCC(NC(=O)NCCN(C(=O)OC(C)(C)C)C2CC2)CC1,C67381960_decoy,ADA,Decoy,0,-7.3791,-6.33,-0.8,-6.248086985347563
Cc1occc1C(=O)NC1CCN(C(=O)NCC[NH+](C)C(C)C)CC1,C67419890_decoy,ADA,Decoy,0,-7.82252,-6.96,-1.06,-6.627993576472679
CCOc1cc2c(cc1OCC)C[NH+](CC(=O)NC(=O)NC1CC1)CC2,C07873340_decoy,ADA,Decoy,0,-8.52231,-7.93,-1.07,-8.270926609321904
O=C(C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1)NC1CC1,C67445927_decoy,ADA,Decoy,0,-8.12053,-7.43,-0.44,-6.69746538097715
C=CCNC(=O)C[NH+]1CCC(C(=O)Nc2ccc3c(c2)OCO3)CC1,C67445930_decoy,ADA,Decoy,0,-8.19226,-7.23,-0.46,-7.275000149638847
O=C(NCc1nc(C2CC2)no1)NC[C@H]1CCC[NH+]1CC1CCCCC1,C67478467_decoy,ADA,Decoy,0,-9.25656,-8.61,-2.67,-9.00140674657427
Cc1noc(CCNC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)n1,C67478773_decoy,ADA,Decoy,0,-8.50222,-7.73,-1.73,-7.72669012426333
COc1cc(-c2nc(CN3CCC[C@H](C[NH3+])C3)c(C)o2)cc2c1OCO2,C67561305_decoy,ADA,Decoy,0,-8.75303,-7.52,-0.36,-6.345600714083193
CCc1c(C)nn(CCNc2nc(N(C)C)nc3c2CC[NH2+]C3)c1C,C67655060_decoy,ADA,Decoy,0,-8.05775,-7.7,-0.71,-11.371567500133771
C[C@H]1CC(=O)Nc2ccccc2N1C(=O)CS/C(N)=[NH+]/C[C@H]1CCCO1,C29480621_decoy,ADA,Decoy,0,-8.80455,-8.91,-1.66,-10.409419153580616
CNC(=O)[C@H]1CN(C(=O)CS/C(N)=[NH+]/C(C)(C)C)c2ccccc2O1,C29547582_decoy,ADA,Decoy,0,-8.27818,-7.09,-0.64,-6.909000793252569
CC(C)C[C@H]([NH3+])CNS(=O)(=O)c1cc([N+](=O)[O-])ccc1Cl,C36298863_decoy,ADA,Decoy,0,-8.68387,-7.54,-0.68,-8.416712730096581
O=C(/C=C/C1=c2ccccc2=[NH+]C1)[C@@H]1C(=O)N(Cc2ccccc2)[C@@H](O)N[C@@H]1O,C39029695_decoy,ADA,Decoy,0,-10.3332,-6.99,-0.51,-6.553469502122667
C=CC[NH+]1[C@@H](SCc2cc(=O)[nH]c(SC)n2)NN[C@H]1c1ccncc1,C39470498_decoy,ADA,Decoy,0,-8.51206,-7.16,-0.61,-7.359474094348841
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C(C)C)[NH+]2CCC(C)CC2)cc1,C41593239_decoy,ADA,Decoy,0,-9.56652,-6.8,-0.92,-6.593230159655788
CC(=O)Nc1ccc(NC(=O)C(=O)NC[C@H](C)[NH+]2CCC[C@H](C)C2)cc1,C41652256_decoy,ADA,Decoy,0,-9.22069,-8.99,-1.76,-7.920185486357037
C[C@@H]1C[C@H](C)C[NH+](CCNC(=O)C(=O)Nc2ccc(C(=O)NC3CC3)cc2)C1,C41728204_decoy,ADA,Decoy,0,-8.8369,-9.22,-1.83,-8.321430073108223
C[C@H](CNC(=O)N1CCC(C(N)=O)CC1)[NH+]1CCN(c2ccccc2)CC1,C42948177_decoy,ADA,Decoy,0,-8.48851,-9.67,-0.87,-8.230056579237019
C[C@]1(NNC(=O)NCC2([NH+]3CCCCC3)CCCCC2)CCS(=O)(=O)C1,C43111740_decoy,ADA,Decoy,0,-8.63013,-6.05,-0.8,-5.187073346294755
C[NH+](C)[C@H](CNC(=O)NNC(=O)c1ccc(F)cc1)c1ccco1,C43138381_decoy,ADA,Decoy,0,-7.27085,-8.08,0.02,-7.815868107061143
Nc1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC2)cc1[N+](=O)[O-],C45581934_decoy,ADA,Decoy,0,-7.44228,-9.02,-0.62,-7.921472422667723
N#Cc1cccnc1NCCNC(=O)NCC1([NH+]2CCSCC2)CCCC1,C47008914_decoy,ADA,Decoy,0,-9.18532,-6.46,-1.93,-7.305894198437235
C[C@]1(NNC(=O)NCC2([NH+]3CCSCC3)CCCC2)CCS(=O)(=O)C1,C47008988_decoy,ADA,Decoy,0,-9.56474,-8.18,-0.35,-8.453960001613755
CCCNC(=O)[C@H]1CCC[NH+](CC(=O)NNC(=O)c2ccccc2)C1,C51003420_decoy,ADA,Decoy,0,-7.59472,-8.34,-2.15,-8.028863744215355
CCC[C@@H](C)NC(=O)[C@@H]1CCC[NH+]([C@@H](C)C(=O)NC(=O)NC(C)(C)C)C1,C51053900_decoy,ADA,Decoy,0,-7.84123,-6.85,-1.62,-6.46479922402212
CCC[C@H](C)NC(=O)[C@H]1CCC[NH+](CC(=O)NC(=O)NC2CC2)C1,C51056117_decoy,ADA,Decoy,0,-7.90328,-7.99,-1.96,-9.61462279183905
C[C@H]1CCCC[NH+]1Cc1ccccc1CNC(=O)N1CCO[C@H](C(N)=O)C1,C51683415_decoy,ADA,Decoy,0,-8.79336,-8.44,-2.95,-7.829236214641219
C[C@H]1CCC[NH+](C[C@@H](C)NC(=O)NCCNc2ncccc2C#N)C1,C56788106_decoy,ADA,Decoy,0,-7.92848,-7.7,-0.68,-7.819743152292425
CS(=O)(=O)NCCNC(=O)NCC1([NH+]2CCCCC2)CCCCC1,C47752019_decoy,ADA,Decoy,0,-8.57224,-7.9,-1.68,-8.088108468941204
CCNC(=O)[C@@H](C)NC(=O)NCc1ccc(N2CCC(C)CC2)[nH+]c1,C61400030_decoy,ADA,Decoy,0,-7.99191,-7.63,-0.88,-7.367116248734843
Cc1ccc([C@H](CNC(=O)c2ccc(S(N)(=O)=O)o2)[NH+]2CCCC2)cc1,C61502817_decoy,ADA,Decoy,0,-9.768,-8.84,-1.77,-14.65892247660992
[H]/N=c1\[nH]c(C)c(-c2ccc(OC)c(OC)c2)c(-c2ccc(OCC)cc2O)[nH+]1,C13127192_decoy,ADA,Decoy,0,-12.3696,-8.84,-0.55,-10.797931442932173
C[C@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1ccc2c(c1)CCC(=O)N2,C62121937_decoy,ADA,Decoy,0,-9.0363,-9.75,-0.42,-8.832272845553904
CC1CC[NH+]([C@@H](C)CNS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)CC1,C62350325_decoy,ADA,Decoy,0,-8.75674,-9.17,-1.58,-11.2490427605596
O=C(NNC(=O)[C@@H]1CCCO1)NC1CC[NH+](CC2CCCCC2)CC1,C62528586_decoy,ADA,Decoy,0,-8.91912,-8.64,-1.54,-8.330980444253758
C[NH+](C)[C@H](CNC(=O)Nc1cc(C(F)(F)F)c[nH]c1=O)c1ccco1,C63162464_decoy,ADA,Decoy,0,-6.09088,-8.31,-0.91,-8.10141513043865
N#Cc1ccc(C(=O)NNC(=O)NC2CC[NH+](CC3CCCC3)CC2)cc1,C64228903_decoy,ADA,Decoy,0,-9.19586,-7.57,-1.08,-6.2465691577911695
Cc1sc2nc(CC[NH3+])nc(NCc3noc(C(C)C)n3)c2c1C,C65526502_decoy,ADA,Decoy,0,-9.93165,-7.7,-0.79,-8.890016845028176
O=C(C[NH+]1CCC[C@@H]1C(=O)NCC(F)(F)F)NC(=O)NC1CCCCC1,C65589225_decoy,ADA,Decoy,0,-6.93891,-6.07,-1.16,-5.41068302419992
NC(=O)CC[C@H]1CCCN(C(=O)NCc2cc[nH+]c(N3CCCC3)c2)C1,C66119962_decoy,ADA,Decoy,0,-9.0745,-7.77,-0.9,-7.344980782457499
C[NH+](C)[C@H](CNC(=O)c1ccc(-n2ncc(C#N)c2N)cc1)C1CCCCC1,C66240546_decoy,ADA,Decoy,0,-8.90212,-7.87,-0.81,-6.501889900951798
C[C@@H](N[C@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)NC(=O)NC1CC1,C66390651_decoy,ADA,Decoy,0,-8.45639,-8.24,-1.62,-6.976188011822933
CCNC(=O)NC(=O)[C@H](C)N[C@@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1,C66390709_decoy,ADA,Decoy,0,-7.74467,-8.21,-0.56,-6.852239317172034
NC(=O)C[NH+]1CCC[C@H](NC(=O)c2nn(-c3ccc(F)cc3)c3c2CCC3)C1,C66449404_decoy,ADA,Decoy,0,-8.69169,-9.02,-0.71,-7.275717415211602
Cc1cc(NC(=O)C(=O)NC2CC[NH+](C(C)C)CC2)ccc1C(=O)NC(C)C,C66718597_decoy,ADA,Decoy,0,-8.75804,-9.14,-1.41,-8.44327524464306
C[NH+](CC(=O)NNC(=O)c1cccs1)CC(=O)Nc1cc(F)cc(F)c1,C66844370_decoy,ADA,Decoy,0,-8.08819,-8.29,-0.21,-8.161298996579378
CCn1c(N)c(C(=O)C[NH+]2CCC[C@H](c3ccccc3)CC2)c(=O)[nH]c1=O,C66898456_decoy,ADA,Decoy,0,-9.32274,-9.35,-1.0,-12.95259212188202
O=S(=O)(NC[C@H]1CCCO1)c1ccc(C[NH2+]Cc2cc[nH]n2)cc1,C66990669_decoy,ADA,Decoy,0,-7.91024,-7.76,-0.58,-8.403464890184786
C[C@@H](CC(=O)N1CCC[NH+](CC(N)=O)CC1)NC(=O)C1CCCCC1,C67153756_decoy,ADA,Decoy,0,-8.94744,-7.54,-0.77,-7.078989370622132
C[C@H](CC(=O)N1CCC[NH+](CC(N)=O)CC1)NC(=O)C1CCCCC1,C67153757_decoy,ADA,Decoy,0,-7.41701,-8.28,-1.33,-6.7347880631836095
CCCC[NH+]1CCCC[C@H]1CNC(=O)C1CCC2(CC1)NC(=O)NC2=O,C67272178_decoy,ADA,Decoy,0,-8.73601,-7.92,-0.5,-8.217621408092898
CC[NH+](CC)[C@H](CNC(=O)C1CCN(C(N)=O)CC1)c1ccco1,C67276346_decoy,ADA,Decoy,0,-7.84436,-6.63,-0.43,-6.407496373345286
NS(=O)(=O)NC[C@H]1CCC[NH+](Cc2ncc(-c3cccs3)o2)C1,C67379509_decoy,ADA,Decoy,0,-11.4334,-7.13,-1.69,-9.03821374176242
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N[C@@H]2CC[NH+]3CCCC[C@H]23)c1,C67391859_decoy,ADA,Decoy,0,-9.97666,-8.33,-0.59,-12.02333609379018
CNS(=O)(=O)c1cccc([C@H](C)NC(=O)N[C@H]2CC[NH+](C(C)C)C2)c1,C67410948_decoy,ADA,Decoy,0,-9.26799,-7.99,-1.18,-13.248355406374037
CC(=O)NC[C@H]1CCC[NH+](CC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)C1,C67417407_decoy,ADA,Decoy,0,-8.25379,-7.0,-2.51,-6.133610954789125
CCC[NH+]1CCN(Cc2nc(N)nc(Nc3ccccc3C)n2)CC1,C57551424_decoy,ADA,Decoy,0,-8.53222,-9.48,-1.08,-8.935767306302576
O=C(Cc1ccccn1)NNC(=O)NC[C@H]1CCC[NH+]1CC1CCCCC1,C67479855_decoy,ADA,Decoy,0,-9.35054,-8.93,-1.26,-9.361527163106166
CNC(=O)C[NH+]1CCC(NC(=O)N[C@H](C)COCC(F)(F)F)CC1,C67532776_decoy,ADA,Decoy,0,-6.51398,-7.05,-1.89,-6.010959697235875
CCNC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@@H](O)[C@H]2CC(=O)NCc2cc(F)cc(F)c2)[C@]1(C)CO,C04236558_decoy,ADA,Decoy,0,-9.27174,-8.0,-1.18,-7.616024844992934
CC(C)[C@H](NC(=O)c1cccs1)C(=O)OCc1nc(N)nc(Nc2ccccc2)n1,C08898091_decoy,ADA,Decoy,0,-9.68907,-8.37,-0.34,-9.06092708214738
CC(=O)NC(=S)Nc1ccc(NC(=S)NC(=O)COc2ccccc2Cl)cc1,C02253243_decoy,ADA,Decoy,0,-10.7031,-9.12,-1.62,-9.930918286606762
NC(=O)c1c(NC(=O)CSc2nnc(NCc3ccco3)s2)sc2c1CCCC2,C09580590_decoy,ADA,Decoy,0,-10.8383,-7.37,-5.59,-8.797965249114782
CC(C)[C@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)C(=O)NNC(=O)c1cccs1,C09969857_decoy,ADA,Decoy,0,-9.26994,-5.9,-1.72,-6.153657732065612
CC(C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N/N=C\c1ccccc1OCC(N)=O,C10042136_decoy,ADA,Decoy,0,-8.87786,-8.26,-1.25,-7.58903753989147
O=C(NNC(=S)NCCc1cccs1)c1ccc(S(=O)(=O)NC2CC2)cc1,C11519259_decoy,ADA,Decoy,0,-11.3688,-7.54,-3.37,-11.494490536863232
O=C(CCC(=O)Nc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)c1cccs1,C12502346_decoy,ADA,Decoy,0,-9.50909,-8.6,-0.78,-8.636113013237713
O=C(/C=C/c1cccs1)NC(=S)NNC(=O)CCC(=O)Nc1ccccc1Cl,C13979408_decoy,ADA,Decoy,0,-8.94591,-7.87,-1.71,-8.477217110126336
CC(C)C(=O)Nc1ccc(C(=O)NNC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1,C14002284_decoy,ADA,Decoy,0,-10.2669,-8.93,-2.05,-11.837262577526944
COCCOC(=O)c1c(NC(=O)CNc2ccccc2Cl)sc(C(N)=O)c1C,C15085910_decoy,ADA,Decoy,0,-9.34526,-7.37,-1.6,-8.455338499540732
COCCOC(=O)c1c(NC(=O)CNc2ccc(F)cc2Cl)sc(C(N)=O)c1C,C15122653_decoy,ADA,Decoy,0,-9.41064,-7.57,-1.27,-11.417782909409334
O=C(CNc1cc([N+](=O)[O-])ccc1NCCO)Nc1ccccc1I,C15322747_decoy,ADA,Decoy,0,-8.51534,-7.58,-0.27,-8.702092339684414
Cc1ccccc1NC(=S)NNC(=O)c1ccccc1NS(=O)(=O)c1cccs1,C16187164_decoy,ADA,Decoy,0,-10.0244,-7.06,-1.68,-7.181451831798968
NC(=O)c1c(NC(=O)CSc2nnc(NCc3ccc(F)cc3)s2)sc2c1CCC2,C16334949_decoy,ADA,Decoy,0,-9.67496,-7.46,-0.91,-8.216548779148614
Cc1ccc(S(=O)(=O)N[C@@H](CSCc2ccccc2)C(=O)N[C@@H](C(N)=O)C(C)C)cc1,C16887333_decoy,ADA,Decoy,0,-10.7763,-7.67,-2.23,-9.575450179799669
C[C@@H](NC(=O)CCNS(=O)(=O)c1ccc(Br)cc1)c1ccc(S(N)(=O)=O)cc1,C17851403_decoy,ADA,Decoy,0,-11.3497,-8.33,-1.79,-8.61935591454809
NC(=O)C1CC[NH+](CC[C@H]2CN(C(=O)Nc3ccc(C(F)(F)F)cc3)CC[C@H]2CC(=O)[O-])CC1,C20463179_decoy,ADA,Decoy,0,-8.50547,-8.11,-0.72,-8.364761221560475
N#Cc1c(NC(=O)COC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)sc2c1CCCCC2,C20973344_decoy,ADA,Decoy,0,-12.0564,-8.92,-0.2,-9.76879292528551
C[C@@H](NC(=O)COC(=O)C[C@@H](NC(N)=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1Cl,C21237929_decoy,ADA,Decoy,0,-10.6077,-9.12,-0.57,-9.36741025947131
C[C@H](OC(=O)CNC(=O)c1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(C(N)=O)cc1,C22529458_decoy,ADA,Decoy,0,-9.59934,-9.26,-1.33,-8.92994669939929
CSCC[C@@H](NC(=O)COc1ccccc1)C(=O)NNC(=S)Nc1ccccc1,C22698405_decoy,ADA,Decoy,0,-8.83689,-8.18,-1.78,-10.280041883694894
CCc1cccc(C)c1NC(=O)CN(CC(C)C)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C23358026_decoy,ADA,Decoy,0,-8.64737,-8.9,-2.47,-9.29481804165939
N#Cc1ccc(-c2ccc(OCC(=O)NNC(=O)CNC(=O)Nc3ccccc3)cc2)cc1,C24870555_decoy,ADA,Decoy,0,-8.47863,-10.61,-2.73,-7.770023935516031
CC(C)[C@@H](NC(=O)CCNc1ccc(S(N)(=O)=O)cc1[N+](=O)[O-])c1ccc(F)cc1,C25159127_decoy,ADA,Decoy,0,-8.27724,-8.62,-0.45,-8.275929268101468
CCOc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/c2ccc(O)cc2)cc1,C25781894_decoy,ADA,Decoy,0,-9.09825,-6.44,-0.92,-6.753028031192337
CC(C)([NH3+])C(=O)N[C@H](COCc1ccccc1)C(=O)N1CCC2(CC1)C[C@H](C(=O)[O-])c1ccccc12,C26402557_decoy,ADA,Decoy,0,-8.22201,-8.57,-1.79,-7.963625020946384
COc1ccccc1NS(=O)(=O)c1ccc(C(=O)NNC(=O)NCCCl)cc1,C26780188_decoy,ADA,Decoy,0,-9.20412,-7.18,-2.14,-9.782198457590358
O=C(N[C@H](Cc1ccccc1)C(=O)NNC(=S)NCCc1ccccc1)c1ccco1,C28622600_decoy,ADA,Decoy,0,-9.38769,-8.49,-4.57,-9.249121532508491
CCOc1ccccc1NC(=O)/C(=N/NC(N)=S)[C@@H]1C(=O)N(c2ccccc2)N=C1C,C33590982_decoy,ADA,Decoy,0,-9.43522,-7.5,-1.58,-11.21168385816151
CC(C)(CO)NS(=O)(=O)c1ccc2c(c1)Cc1cc(S(=O)(=O)NC(C)(C)CO)ccc1-2,C00904496_decoy,ADA,Decoy,0,-10.7694,-7.25,-2.2,-7.990682953437974
COc1cc(NC(=O)/C=C(\C)NNC(=O)C(=O)NC2CCCCC2)c(OC)cc1Cl,C37867301_decoy,ADA,Decoy,0,-8.35336,-9.14,-1.98,-7.404294786691633
CC[C@@H](C)[C@@H](NC(=O)C1CCC(C)CC1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,C09668195_decoy,ADA,Decoy,0,-10.395,-8.61,-1.52,-10.606044640727474
CCCCN1C(=O)N=C([O-])[C@@H](N(CC(C)C)C(=O)CCc2c[nH]c3ccccc23)[C@@H]1[NH3+],C38509855_decoy,ADA,Decoy,0,-7.51604,-9.3,-2.21,-8.357270081161406
COc1cc([C@@H]2C(C#N)=C(N)O[C@H]3N=NC(CSc4ccc(C)cc4)=C23)ccc1OCC(N)=O,C38915309_decoy,ADA,Decoy,0,-13.1528,-10.23,0.2,-11.911944676337688
NC(=O)c1ccc(N2CCCCC2)c(NC(=O)c2ccc(S(=O)(=O)NCc3ccco3)cc2)c1,C39559341_decoy,ADA,Decoy,0,-9.99823,-6.61,-1.6,-9.60611184153166
COc1cc([C@@H](O)COc2c(N)cc(CO)cc2OC)c(OC)cc1Br,C40352269_decoy,ADA,Decoy,0,-8.60253,-7.38,-1.62,-9.982392854646475
COc1ccc(CCNC(=O)c2oc3c(c2C)/C(=N/NC(N)=S)CCC3)cc1OC,C40824468_decoy,ADA,Decoy,0,-12.0417,-9.8,-1.58,-9.755822595730416
CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC[C@@H](O)[C@H]2CC(=O)NCc2ccc(F)cc2)[C@]1(C)CO,C43553745_decoy,ADA,Decoy,0,-9.76492,-6.9,-0.92,-6.592658496252614
CCNC(=O)O[C@@H]1CC[C@@]2(C)[C@@H](CC[C@@H](O)[C@H]2CC(=O)NCc2ccc(F)cc2)[C@]1(C)CO,C43553747_decoy,ADA,Decoy,0,-9.52325,-6.51,-1.64,-7.377549500080048
C[C@@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)NCCc1ccc(S(N)(=O)=O)cc1,C45824064_decoy,ADA,Decoy,0,-10.6116,-9.17,-1.71,-9.39393268330806
COc1ccccc1NC(=S)NNC(=O)c1cnn2c1N[C@H](c1ccccc1)C[C@@H]2C(F)F,C02794084_decoy,ADA,Decoy,0,-10.6778,-6.92,-0.96,-6.9946375743215
O=C(Nc1ccc(C(=O)NCCNc2ncc(C(F)(F)F)cc2Cl)cc1)NC1CC1,C24617444_decoy,ADA,Decoy,0,-7.8941,-9.4,-1.59,-7.894164089438978
COc1ccc(NC(C)=O)cc1NC(=O)[C@H](C)Nc1ccc(NC(=O)c2ccco2)cc1,C26989945_decoy,ADA,Decoy,0,-8.62552,-6.66,-3.4,-6.50992771776798
CCCCNc1ccc(S(N)(=O)=O)cc1NS(=O)(=O)c1ccc(F)c(F)c1F,C58504390_decoy,ADA,Decoy,0,-8.90708,-6.52,-1.89,-7.752051213357104
NC(=O)CCc1nnc(SCc2nc(N)c3c4c(sc3n2)CCCC4)n1C[C@H]1CCCO1,C58597714_decoy,ADA,Decoy,0,-11.513,-7.56,-1.01,-10.728478557577068
Cc1cc(C)nc(N/C(=N\C(=S)NC[C@H]2CCCO2)NCCc2ccc(O)cc2)n1,C14158953_decoy,ADA,Decoy,0,-9.4937,-8.36,-1.64,-12.149609714355316
C/C(=N\Nc1nc(S[C@@H](C)C(=O)NNC(=O)C2CCC2)n[nH]1)C12CC3CC(CC(C3)C1)C2,C59879845_decoy,ADA,Decoy,0,-10.5636,-9.49,-0.74,-9.166322696822862
NC(=O)COc1cccc(C(=O)Nc2ccccc2C(=O)Nc2cccc(C(F)(F)F)c2)c1,C60324373_decoy,ADA,Decoy,0,-9.20009,-10.94,-2.66,-10.939132732453045
NC(=O)C1([NH+]2CCCCC2)CCN(c2ccc(NC(=O)COc3ccccc3)c(C(=O)[O-])c2)CC1,C35422698_decoy,ADA,Decoy,0,-8.73953,-7.94,-1.09,-7.446553755394971
Cc1cc(/C=N/NC(N)=O)c(C)n1-c1ccc(N(C)C)cc1,C00176942_decoy,ADA,Decoy,0,-7.85736,-7.49,-0.62,-7.443232576550213
Nc1c(C(=O)NC2CCCC2)nnn1-c1ccccc1F,C04984551_decoy,ADA,Decoy,0,-6.76825,-7.24,-2.13,-5.082361127425582
Cc1c(CC(=O)NC2CCCC2)c(=O)oc2cc(O)cc(O)c12,C05345259_decoy,ADA,Decoy,0,-7.95195,-7.03,-0.21,-6.982175870261637
COc1ccccc1[C@H]1C(C#N)=C(N)Oc2[nH]nc(C(C)C)c21,C05633506_decoy,ADA,Decoy,0,-6.36585,-6.81,-1.59,-6.240867354609072
Cc1ccc(/C=C/C(=O)NNC(=O)Nc2ccccc2)o1,C00525403_decoy,ADA,Decoy,0,-7.09306,-8.21,-0.27,-7.335645133308627
Nc1ccc(C(=O)Nc2ccc3c(c2)CCC3)cc1[N+](=O)[O-],C07802132_decoy,ADA,Decoy,0,-6.40187,-7.59,0.04,-6.428053245873838
C=CCOc1cccc([C@@H]2C(C#N)=C(N)Oc3n[nH]c(C)c32)c1,C08845680_decoy,ADA,Decoy,0,-8.38988,-8.35,-0.42,-9.621814847664808
N#CCOc1ccc(Br)cc1/C=N/NC(N)=O,C13747822_decoy,ADA,Decoy,0,-7.51042,-7.08,-0.43,-6.681290345802444
COc1ccc(NS(=O)(=O)c2ccccc2C#N)c(N)c1,C21021054_decoy,ADA,Decoy,0,-8.41117,-5.94,-1.03,-5.815871310821927
C[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1cccs1,C07981090_decoy,ADA,Decoy,0,-6.66419,-7.54,-0.78,-8.4164356905136
CCc1ccc(N(C)S(=O)(=O)c2c(C)n[nH]c2C)cc1N,C32210310_decoy,ADA,Decoy,0,-6.55657,-7.46,-0.67,-7.313717926739912
[NH3+]C[C@H](c1ccc([O-])c([N+](=O)[O-])c1)N1CCc2ccccc21,C32066590_decoy,ADA,Decoy,0,-6.87164,-6.9,0.31,-6.688892673394431
CC[C@H](C)N(C)S(=O)(=O)c1ccc2nc(NN)ccc2c1,C35358728_decoy,ADA,Decoy,0,-8.14177,-7.51,-1.43,-10.358196910624402
CCCn1c(N)c(N[C@@H]2CCC[C@@H](C)C2)c(=O)n(C)c1=O,C37737581_decoy,ADA,Decoy,0,-6.63195,-5.57,-1.07,-4.718256349531752
Cc1ccc(NS(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c(C)c1N,C37905076_decoy,ADA,Decoy,0,-7.04712,-6.96,-2.61,-8.61564380223501
Cc1ccc(NS(=O)(=O)N2C[C@H](C)O[C@@H](C)C2)c(C)c1N,C37905077_decoy,ADA,Decoy,0,-7.28884,-8.19,-1.75,-8.04049759936027
C=C1C=C(C)[C@H](CNC(=O)CCC2=C(C)NO[C@H]2C)C(=O)N1,C39746785_decoy,ADA,Decoy,0,-7.61756,-7.57,-0.65,-7.696244247842296
COc1cc(NC(=O)[C@H]2CCC[NH2+]C2)c(Cl)cc1C(=O)[O-],C40482738_decoy,ADA,Decoy,0,-8.99829,-6.65,-1.18,-7.18934322693049
C[C@@]1(c2cccc(NC(=O)[C@H]3CC=CCC3)c2)NC(=O)NC1=O,C40535842_decoy,ADA,Decoy,0,-8.08157,-5.39,-0.11,-5.255258414906906
C[NH+]1CCC(NC(=O)Nc2cc(Cl)ccc2C(=O)[O-])CC1,C40573654_decoy,ADA,Decoy,0,-7.79746,-5.26,-0.24,-4.463410647513756
Cc1ccnc(Nc2ncnc(N3CCC[C@@H](C)C3)c2N)c1,C40701269_decoy,ADA,Decoy,0,-7.39669,-8.58,-0.62,-7.061941654297839
CC1CCN(c2ncnc(Nc3nccs3)c2N)CC1,C40732863_decoy,ADA,Decoy,0,-7.51113,-7.36,-0.33,-6.366611947502339
Cc1[nH]ncc1S(=O)(=O)Nc1cccc2c(O)cccc12,C40829765_decoy,ADA,Decoy,0,-8.9248,-8.24,-1.02,-8.41690767493418
COC(=O)NNC(=O)N[C@H](C)c1ccc(Br)cc1,C43187463_decoy,ADA,Decoy,0,-7.60363,-7.41,-2.0,-9.75893918903492
C[C@@H](NC(=O)Nc1nccs1)c1ccc2c(c1)CCC(=O)N2,C44971135_decoy,ADA,Decoy,0,-8.37489,-7.02,-0.76,-9.185845870634031
Cc1cc(C(=O)NNC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)c(C)o1,C45551449_decoy,ADA,Decoy,0,-7.77301,-8.33,-0.86,-7.725374057996222
NS(=O)(=O)c1ccc(C(=O)NC2CCCCCCC2)o1,C47932539_decoy,ADA,Decoy,0,-8.10831,-7.38,-0.5,-8.796314538773776
Cc1ccc(NC(=O)c2ccc(S(N)(=O)=O)o2)c(Cl)c1,C48822449_decoy,ADA,Decoy,0,-9.40394,-8.15,-0.3,-9.854419688135335
O=C(NNC(=O)c1cc2cc(Cl)ccc2o1)NC1CC1,C49151019_decoy,ADA,Decoy,0,-6.74896,-8.52,-0.34,-9.904405546923662
CCCNC(=O)NNC(=O)/C=C/c1ccc(Br)o1,C49279859_decoy,ADA,Decoy,0,-7.77838,-7.37,-0.47,-7.795921655001456
O=C(NNS(=O)(=O)c1ccc(F)cc1)NC1CCCC1,C49419600_decoy,ADA,Decoy,0,-7.45972,-6.57,-1.12,-5.226626505441745
Cc1cc(C)c(S(=O)(=O)NNC(=O)NC(C)C)c(C)c1,C49463408_decoy,ADA,Decoy,0,-7.51427,-7.64,-1.91,-5.853342761071757
NC(=O)N/N=C1/C(=O)N(Cc2ccc(F)cc2)c2ccccc21,C05731690_decoy,ADA,Decoy,0,-6.64932,-6.62,-0.58,-5.550921391723783
N/C(=N/O)c1cc([N+](=O)[O-])ccc1Sc1ccccc1F,C50440291_decoy,ADA,Decoy,0,-8.60933,-4.48,-0.67,-4.266138904504404
C[C@@H]1CCCC[C@@H]1NS(=O)(=O)c1c(N)nc2ccccn12,C50641315_decoy,ADA,Decoy,0,-8.39713,-9.0,-1.42,-9.073947159904549
Nc1c(Cl)cc(C(=O)NCC(F)(F)F)cc1[N+](=O)[O-],C50695812_decoy,ADA,Decoy,0,-4.44157,-6.63,-0.28,-4.713832264999297
NNc1snnc1CN1C(=O)c2cccc3cccc1c23,C51147740_decoy,ADA,Decoy,0,-7.90337,-6.83,-0.79,-6.582379159131451
O=C(Nc1ccc(F)cc1)Nc1ccc(N2CCNC2=O)cc1,C54392543_decoy,ADA,Decoy,0,-7.08393,-6.6,-0.39,-6.40935532826845
Cc1cc(C(=O)NNC(=S)N[C@@H]2CCCC[C@H]2C)no1,C58177642_decoy,ADA,Decoy,0,-7.46426,-6.21,-0.61,-5.585307502405123
O=C(NC1CCN(C(=O)Nc2ccccc2)CC1)c1ccc[nH]1,C58391261_decoy,ADA,Decoy,0,-7.11596,-7.94,-1.97,-6.668292734202788
C[C@H](NC(=O)c1ccc(C#N)cc1)c1ccc2[nH]c(=O)[nH]c2c1,C47534405_decoy,ADA,Decoy,0,-7.44773,-9.49,-0.13,-6.290953656652723
C[C@H]1CCCC[C@@H]1OCCNC(=O)N1CCC(C(N)=O)CC1,C42949142_decoy,ADA,Decoy,0,-8.24164,-6.48,-0.73,-5.194507209798253
Nc1ccc(Cl)c(C(=O)NCc2ccc3c(c2)OCO3)n1,C61675271_decoy,ADA,Decoy,0,-8.51413,-5.03,-0.28,-4.880034538584924
COCc1cc(NN)nc(-c2ccc3ncccc3c2)n1,C62802598_decoy,ADA,Decoy,0,-8.95084,-7.86,-0.31,-7.334827369469654
CCC1(CC)CCN(S(=O)(=O)c2ccc(NN)nc2)CC1,C62960031_decoy,ADA,Decoy,0,-8.56435,-7.64,-1.84,-7.854327885163752
COc1ccc(N)c(NS(=O)(=O)N2CCCC[C@@H]2C)c1,C63212908_decoy,ADA,Decoy,0,-8.07976,-5.5,-0.77,-5.093541450132896
NC1=[NH+]C([N-]c2ccc(Oc3ccccc3)cc2)=NC(=O)C1,C63308286_decoy,ADA,Decoy,0,-8.66411,-8.76,-0.58,-12.735033799445365
O=C(COc1ccc(F)cc1F)NNC(=O)NC1CCCC1,C65919667_decoy,ADA,Decoy,0,-6.79275,-7.38,-0.52,-6.985802018869613
C[C@@H](CC(=O)N1CC[C@H](C(N)=O)C1)NC(=O)C1CCCCC1,C66617085_decoy,ADA,Decoy,0,-7.38027,-6.41,-0.72,-5.560493499076962
Nc1nc(N2CCCCC2)ncc1C(=O)Nc1ccccc1,C67336563_decoy,ADA,Decoy,0,-7.14984,-9.14,-0.65,-11.425319369868076
CC[NH+](CC)CC/N=C/c1c(O)n(C2CCCCC2)c(=O)[nH]c1=O,C05855894_decoy,ADA,Decoy,0,-7.79166,-6.37,-0.66,-7.3116714494206
C[C@H](NC(=O)C[NH+](C)CC(=O)NC1CC1)c1ccc2c(c1)OCCO2,C07792312_decoy,ADA,Decoy,0,-7.88736,-7.45,-0.61,-6.473029813054238
CN(CCc1cn[nH]c1)C(=O)C[C@H]1C(=O)NCC[NH+]1C1CCCC1,C11873429_decoy,ADA,Decoy,0,-7.76094,-7.34,-1.72,-10.410191448782356
CC(C)CC[C@]1(C2CC[NH+](Cc3cnn(C)c3)CC2)NC(=O)NC1=O,C12052625_decoy,ADA,Decoy,0,-8.64428,-8.26,-0.36,-10.062694811804858
CC(C)=CC[NH+]1CCNC(=O)[C@H]1CC(=O)NCCN1CCCCC1=O,C12299094_decoy,ADA,Decoy,0,-7.88381,-8.51,-1.3,-12.041694351977943
[NH3+]CCCN1C(=O)[C@H](c2ccccc2)Oc2ccc([N+](=O)[O-])cc21,C20277696_decoy,ADA,Decoy,0,-7.7429,-7.43,-3.39,-5.763337699809084
CCOC(=O)[C@@H](C)[NH2+]Cc1cc(O)cc2oc(=O)c(C(C)=O)cc12,C21984378_decoy,ADA,Decoy,0,-8.61689,-7.35,-0.92,-7.406884765252204
CC(C)(C)NC(=O)CN1CC[NH+](CC(=O)NCc2ccco2)CC1,C22934166_decoy,ADA,Decoy,0,-6.78351,-7.47,-0.87,-8.38521609740289
Cc1cc(NCCNc2cccc[nH+]2)n2nc(C(F)(F)F)nc2n1,C26695652_decoy,ADA,Decoy,0,-8.05629,-8.43,-0.9,-7.989124641567985
CCNC(=O)NC(=O)C[NH+]1CCN(C(=O)CCC2CCCC2)CC1,C27121937_decoy,ADA,Decoy,0,-7.84914,-8.32,-0.83,-8.674267314733983
CC(C)C[C@H](c1nnnn1C1CCCC1)[NH+]1CCC(C(N)=O)CC1,C04849872_decoy,ADA,Decoy,0,-8.22392,-7.43,-2.75,-8.051163155045826
CN(C)c1ccc(/C=[NH+]/[C@H](CO)[C@@H](O)c2ccc([N+](=O)[O-])cc2)cc1,C17887278_decoy,ADA,Decoy,0,-8.56154,-9.2,-0.65,-8.338058408401041
COc1cc2[nH+]c3occc3c(OC)c2cc1OC[C@H](O)C(C)(C)O,C01581845_decoy,ADA,Decoy,0,-8.09586,-5.98,-0.14,-5.965316060631205
O=C(CS[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)O1)NC[C@H]1CCCO1,C39067957_decoy,ADA,Decoy,0,-9.30311,-9.39,-0.86,-9.453327471985348
O=C(COc1ccccc1)NCC(=O)N/N=C/C1=c2ccccc2=[NH+]C1,C39736557_decoy,ADA,Decoy,0,-7.97808,-9.79,-0.3,-8.448603197069442
C[NH+](C)[C@H](CNC(=O)NC[C@H]1COc2ccccc2O1)c1ccco1,C40477810_decoy,ADA,Decoy,0,-7.5271,-7.98,-0.51,-12.364879003552408
Cc1cc(N(C)C)ccc1NC(=O)C(=O)NCc1ccc(N(C)C)[nH+]c1,C41637393_decoy,ADA,Decoy,0,-8.15937,-7.02,-0.85,-5.919250768149802
Cc1n[nH]c(C)c1S(=O)(=O)NCC1CCN(c2cccc[nH+]2)CC1,C43955090_decoy,ADA,Decoy,0,-8.84122,-8.19,-1.53,-8.309636707339376
O=[N+]([O-])c1cc(Cl)ccc1S(=O)(=O)NCC1CC[NH2+]CC1,C44509053_decoy,ADA,Decoy,0,-7.70592,-6.72,-1.72,-6.86514864393892
CC(C)Cc1noc(C[NH+](C)[C@H](C)c2ccc(S(N)(=O)=O)cc2)n1,C26121122_decoy,ADA,Decoy,0,-9.36642,-7.63,-0.22,-8.000550795562145
CCCNC(=O)C[NH+]1CCC(NC(=O)N(C)C[C@@H](C)C#N)CC1,C46869428_decoy,ADA,Decoy,0,-7.47417,-5.09,-0.47,-4.868454149730208
CC(C)CC[NH+]1CCN([C@@H](C)C(=O)NC(=O)NC[C@H]2CCCO2)CC1,C47870654_decoy,ADA,Decoy,0,-7.66841,-8.23,-0.63,-7.391715063472246
CC(C)(CNC(=O)Cn1c(=O)[nH]c2ccccc2c1=O)[NH+]1CCCCC1,C48178194_decoy,ADA,Decoy,0,-8.06227,-8.99,-2.51,-8.046367817479661
CCCNC(=O)[C@@H]1CCCN(C(=O)NCc2ccc(N(C)C)[nH+]c2)C1,C51270943_decoy,ADA,Decoy,0,-7.73187,-7.95,-0.69,-9.472052770199554
C=CCNC(=O)CN1CC[NH+](CCc2nc3ccccc3c(=O)[nH]2)CC1,C54173052_decoy,ADA,Decoy,0,-7.82234,-8.68,-0.81,-7.547306604232309
C[NH+](C)C(C)(C)CNC(=O)N1CCC[C@@H](C(=O)Nc2nccs2)C1,C56795063_decoy,ADA,Decoy,0,-8.7813,-7.24,-0.42,-7.122641054756707
C[NH+](Cc1ccccc1)C[C@@H](O)CN1C(=O)N[C@@](C)(c2ccco2)C1=O,C60343624_decoy,ADA,Decoy,0,-7.27475,-8.42,-0.59,-8.118647117027264
C[C@H]1CCCC[NH+]1CCNC(=O)CN1C(=O)NC2(CCCCC2)C1=O,C46857508_decoy,ADA,Decoy,0,-7.74362,-6.05,-1.98,-5.11180354754082
COCC[NH+]1CC[C@H](CNC(=O)Nc2nnc(C(F)(F)F)s2)C1,C62378121_decoy,ADA,Decoy,0,-6.66003,-5.16,-1.31,-4.741645858886212
O=C(NC[C@H](c1ccc2c(c1)OCO2)[NH+]1CCCC1)c1ccc(=O)[nH]c1,C62440628_decoy,ADA,Decoy,0,-8.41804,-6.68,-1.83,-5.784604312830514
CCCS(=O)(=O)NC1CCN(C(=O)N[C@@H]2CCC[NH+](CC)C2)CC1,C52594000_decoy,ADA,Decoy,0,-8.60586,-6.31,-1.68,-7.375322736569512
O=C(NCCC1=c2ccccc2=[NH+]C1)C(=O)Nc1ccc2c(c1)OCO2,C63211999_decoy,ADA,Decoy,0,-8.05411,-2.41,-0.16,-4.127732810656131
Cc1cc(NC(=O)NC2CC[NH+](CC3CCCC3)CC2)n(CCC#N)n1,C63321422_decoy,ADA,Decoy,0,-9.44736,-8.79,-0.66,-11.691200701699875
C=CCN1C(=O)NC(=O)/C(=C(/C)NCCC2=c3ccccc3=[NH+]C2)C1=O,C63426797_decoy,ADA,Decoy,0,-8.01715,-9.0,-0.15,-8.125822574329213
COc1cccc2c1=C[C@H](C(=O)N[C@@H](C)C(=O)Nc1ncc(C)s1)[NH+]=2,C63778183_decoy,ADA,Decoy,0,-8.38597,-8.91,-0.59,-8.596361554052574
CN(C[C@@H]1N=NC2=C1CCCCC2)C(=O)[C@@H]1CCC[NH+](CC(N)=O)C1,C63868433_decoy,ADA,Decoy,0,-7.96172,-7.72,-0.69,-8.528205198805967
O=C(NCCNc1cccc[nH+]1)N1CCN(C[C@H]2CCCO2)CC1,C48288230_decoy,ADA,Decoy,0,-9.23928,-7.96,-0.07,-8.596545682638252
CCCn1ncc(NC(=O)c2ccc(CN3CC[NH2+]CC3(C)C)cc2)n1,C65376594_decoy,ADA,Decoy,0,-8.7869,-7.84,-1.6,-6.58859512107361
C[NH+](C)CCNC(=O)c1cccc(NC(=O)/C(C#N)=C\c2ccco2)c1,C65910135_decoy,ADA,Decoy,0,-7.67775,-6.84,-1.0,-6.439166974586371
CC(C)C[C@@H]1NC(=O)N(C[NH+]2CCC(NC(=O)C3CCC3)CC2)C1=O,C66079834_decoy,ADA,Decoy,0,-8.32194,-7.1,-1.44,-6.422503945750857
CC[C@H](C)[NH+](C)CCNC(=O)CN1C(=O)NC2(CCC(C)CC2)C1=O,C66137976_decoy,ADA,Decoy,0,-8.17165,-7.63,-2.24,-8.520956817685391
COC(=O)N1CCC(NC(=O)NCC[NH+]2CCCC[C@H]2C)CC1,C66363101_decoy,ADA,Decoy,0,-7.68092,-7.58,-0.96,-7.737412225587483
O=C(C[NH+](Cc1ccco1)C[C@H]1CCCO1)NC(=O)NC1CCCC1,C66435997_decoy,ADA,Decoy,0,-8.12321,-5.54,0.03,-5.345762792950688
O=C(C[NH+]1CCC[C@@H](C(=O)Nc2nncs2)C1)NCC1CCC1,C66495268_decoy,ADA,Decoy,0,-9.74707,-7.09,-0.15,-8.739098565701504
CC[NH+]1CCC(n2nccc2NC(=O)CCNC(=O)[C@H]2C[C@@H]2C)CC1,C66663229_decoy,ADA,Decoy,0,-8.09605,-7.46,-0.57,-7.599799325874123
O=C(C[NH+]1CCC(NC(=O)CC2CCCC2)CC1)Nc1nncs1,C66874919_decoy,ADA,Decoy,0,-8.2892,-8.11,-2.29,-11.227478647658767
O=C(NCCCc1nnc2n1CCCCC2)NC1CC[NH+](C2CC2)CC1,C67387420_decoy,ADA,Decoy,0,-7.89009,-7.03,-0.58,-7.1171200969065405
C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)Nc2ccc(N(C)C)nc2)C1,C67392695_decoy,ADA,Decoy,0,-8.39701,-6.42,-1.86,-5.734481852726483
CC(C)(CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1)[NH+]1CCCCC1,C67624571_decoy,ADA,Decoy,0,-7.90905,-6.89,-1.26,-9.461732260104323
CS(=O)(=O)N1CCC[C@H](NC(=O)NCCC[NH+]2CCCCCC2)C1,C67624939_decoy,ADA,Decoy,0,-8.18162,-6.69,-0.76,-5.838059588391062
[NH3+]CCS(=O)(=O)N[C@@H]1CCS(=O)(=O)C1,C11584610_decoy,ADA,Decoy,0,-8.16761,-3.9,-0.5,-4.669780602836668
O=C(c1c[nH]c(=O)[nH]c1=O)N1CCC[NH2+]CC1,C20244478_decoy,ADA,Decoy,0,-5.91474,-5.47,-0.26,-3.343879800809738
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H]([NH3+])C1,C20256133_decoy,ADA,Decoy,0,-6.71586,-7.2,-0.55,-5.393899187411794
[NH3+]C[C@H](O)Cn1c(=O)oc2ccc([N+](=O)[O-])cc21,C35059148_decoy,ADA,Decoy,0,-6.27455,-5.86,-0.06,-5.892624404592442
[NH3+]/C(=C/CN1C(=O)c2ccccc2C1=O)NNC=O,C22022870_decoy,ADA,Decoy,0,-7.43289,-7.04,-0.28,-7.077664891417349
[NH3+][C@H]1C[C@H]1NS(=O)(=O)c1c[nH]c(=O)[nH]c1=O,C36264076_decoy,ADA,Decoy,0,-6.6299,-6.2,-0.33,-6.353022028847442
[NH3+]C1CC(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)C1,C36265860_decoy,ADA,Decoy,0,-8.30704,-7.94,0.02,-7.880885632092238
Cc1n[nH]c(C)c1S(=O)(=O)NC[C@@H]1C[NH2+]CCO1,C36284243_decoy,ADA,Decoy,0,-7.52119,-5.41,-0.77,-6.54743543073794
[NH3+]CCNS(=O)(=O)c1cc2c(cc1Cl)NC(=O)C2,C36286511_decoy,ADA,Decoy,0,-7.78867,-7.58,-1.02,-6.772505177344003
Cn1c(=O)oc2cc(S(=O)(=O)NCC[NH3+])ccc21,C36286516_decoy,ADA,Decoy,0,-6.80225,-6.56,0.05,-6.61262307720775
O=C(CN1CCC[NH2+]CC1)NC(=O)NC1CC1,C36946377_decoy,ADA,Decoy,0,-6.58591,-4.37,-1.25,-4.083863550469223
CO[C@@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@H]2[C@@H](N)[C@@H]1[NH3+],C22861178_decoy,ADA,Decoy,0,-6.00879,-5.08,0.16,-3.53338037003124
[NH3+]C1(C(=O)N(CCO)[C@@H]2CCS(=O)(=O)C2)CCCC1,C37809700_decoy,ADA,Decoy,0,-7.30815,-6.3,0.39,-7.136715138937888
CS(=O)(=O)N[C@H]1CCCN(C(=O)C2CCC([NH3+])CC2)C1,C37811614_decoy,ADA,Decoy,0,-8.82442,-7.6,-0.39,-10.158439066408642
O=C(NC1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1)C1CC1,C37812538_decoy,ADA,Decoy,0,-7.3998,-4.74,-0.6,-4.418679475205488
NS(=O)(=O)NC[C@H]1CCCN(C(=O)[C@H]2CCC[NH2+]2)C1,C37820390_decoy,ADA,Decoy,0,-9.09168,-7.46,-0.63,-7.501329211220439
C[C@@H]([NH3+])C(=O)N1CCN(S(N)(=O)=O)CC1,C38101500_decoy,ADA,Decoy,0,-9.09283,-6.71,-0.69,-8.094350290789803
NC(=O)N1CCC([NH2+][C@H]2CCS(=O)(=O)C2)CC1,C37187989_decoy,ADA,Decoy,0,-8.24829,-7.11,-0.02,-6.0303976891457935
C[C@]1(NC(=S)N[C@@H]2N=NC(N)=[NH+]2)CCS(=O)(=O)C1,C39287090_decoy,ADA,Decoy,0,-8.45301,-6.55,-1.16,-6.754748549075091
Nc1n[nH]cc1S(=O)(=O)N1CC[NH+]2CCC[C@@H]2C1,C40320466_decoy,ADA,Decoy,0,-8.2245,-7.07,-0.41,-6.343541682787384
CCS(=O)(=O)NC1(/C(N)=N/O)CC[NH+](C)CC1,C40377060_decoy,ADA,Decoy,0,-6.84835,-6.37,0.7,-6.692230170275246
C[NH2+]C[C@H]1CCCN(S(=O)(=O)c2c[nH]c(=O)[nH]c2=O)C1,C40597485_decoy,ADA,Decoy,0,-7.19425,-7.04,-0.64,-7.023891699870234
CO[C@H]1C[NH2+][C@H](C(=O)N2CCC(CC(N)=O)CC2)C1,C40636319_decoy,ADA,Decoy,0,-6.90544,-6.15,-0.76,-5.162673574749642
C[NH+]1CCC[C@H](NC(=O)C(=O)NCC(N)=S)C1,C40716126_decoy,ADA,Decoy,0,-8.01205,-4.93,-0.48,-4.7874922920550365
C[C@@H]([NH3+])c1ccc(NC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1,C41716944_decoy,ADA,Decoy,0,-8.15873,-7.38,-0.13,-6.041451512248
C[C@@H](C(=O)N1CCCC[C@@H]1C(N)=O)N1CC[NH2+]CC1,C42406799_decoy,ADA,Decoy,0,-6.36924,-7.49,-0.58,-7.984925540706196
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)N1CC[NH2+]CC1,C42428634_decoy,ADA,Decoy,0,-6.47343,-7.03,-0.1,-7.021916125951524
C[C@H]1CC[C@@H](C(N)=O)CN1C(=O)[C@@H]1C[NH2+]CCO1,C43799116_decoy,ADA,Decoy,0,-7.3481,-7.12,-1.28,-6.69944064962671
Cn1c(NC2CC[NH+](CC(N)=O)CC2)c(C#N)c(=O)n(C)c1=O,C44895948_decoy,ADA,Decoy,0,-8.25902,-7.84,-0.45,-7.573283629992701
CNC(=O)NC(=O)C[NH+]1CCC[C@@H]1C(=O)NC1CC1,C45096733_decoy,ADA,Decoy,0,-6.4998,-5.98,-0.38,-5.675188298578897
CN(C(C)(C)C[NH3+])S(=O)(=O)c1cn[nH]c1,C50093224_decoy,ADA,Decoy,0,-7.5857,-6.42,-0.26,-6.501866264963611
C[NH+]1CCC(NS(=O)(=O)C2CCOCC2)(C(N)=S)CC1,C50199826_decoy,ADA,Decoy,0,-9.30035,-5.42,-0.33,-5.457436400257407
CNS(=O)(=O)c1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1,C50242285_decoy,ADA,Decoy,0,-7.56846,-7.32,-0.45,-7.905658001723602
[NH3+][C@@H]1CCCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1,C50351640_decoy,ADA,Decoy,0,-8.04615,-5.48,-0.04,-4.751819394659434
CS(=O)(=O)N1CCC(NC(=O)[C@@H]2C[C@@H]2[NH3+])CC1,C50459277_decoy,ADA,Decoy,0,-7.65303,-4.69,-0.32,-4.321861248347406
CS(=O)(=O)NC1CCN(C(=O)[C@H]2C[C@@H]2[NH3+])CC1,C50461876_decoy,ADA,Decoy,0,-7.7132,-6.03,-0.9,-7.35092828960386
CCNC(=O)CN1CCN(C(=O)[C@H]2C[C@@H]2[NH3+])CC1,C50461924_decoy,ADA,Decoy,0,-7.23421,-7.1,-0.61,-8.167075587771386
[NH3+][C@H]1C[C@@H]1C(=O)N(CCO)[C@@H]1CCS(=O)(=O)C1,C50462206_decoy,ADA,Decoy,0,-8.12051,-6.35,-0.93,-8.35218891814361
CS(=O)(=O)N[C@@H]1CCCN(C(=O)[C@@H]2C[C@@H]2[NH3+])C1,C50462344_decoy,ADA,Decoy,0,-5.8493,-7.09,0.21,-9.977299756192313
C[NH+]1CCC(NS(=O)(=O)c2cnc(N)nc2)CC1,C50653311_decoy,ADA,Decoy,0,-9.65937,-5.61,-0.59,-5.712958890379921
O=C1NC(=O)C2(CCN(C(=O)C[C@H]3CCC[NH2+]C3)CC2)N1,C54308097_decoy,ADA,Decoy,0,-6.76208,-8.41,-0.85,-5.566575718592958
O=C1NC(=O)C2(CCN(C(=O)C[C@@H]3CCC[NH2+]C3)CC2)N1,C54308098_decoy,ADA,Decoy,0,-7.84081,-6.81,-0.22,-6.683880236924469
CCN1C(=O)C[C@H]([NH2+]C2CCC(C(N)=O)CC2)C1=O,C38091764_decoy,ADA,Decoy,0,-7.41554,-6.76,-1.14,-6.443660139659633
C[C@@H](C(=O)N1CCNCC1)[NH+]1CCCC[C@@H]1C(N)=O,C42405088_decoy,ADA,Decoy,0,-6.78135,-6.58,-0.13,-7.647160768649845
Cc1[nH]c(N(C)[C@@H]2CCS(=O)(=O)C2)c(N)[nH+]1,C42872616_decoy,ADA,Decoy,0,-7.5006,-7.17,-0.05,-5.766959941197801
[NH3+]C[C@@H]1CCC[C@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1,C61884155_decoy,ADA,Decoy,0,-8.40157,-7.13,-0.81,-8.011578596841046
CNC(=O)C1CCN(C(=O)[C@@H]2C[NH2+][C@H](C)CN2)CC1,C62814834_decoy,ADA,Decoy,0,-6.9289,-6.19,-0.12,-7.966609237986842
[NH3+]CCNC(=O)[C@H]1CCCN([C@@H]2CS(=O)(=O)C[C@@H]2O)C1,C63180116_decoy,ADA,Decoy,0,-8.38406,-6.62,-1.29,-5.913384719116372
C[C@H]([NH3+])[C@@H]1CCCCN1[C@@H](C)C(=O)NC(N)=O,C63196094_decoy,ADA,Decoy,0,-6.83987,-7.16,0.02,-7.278022630555939
C[C@@H]([NH3+])[C@@H]1CCCCN1[C@@H](C)C(=O)NC(N)=O,C63196095_decoy,ADA,Decoy,0,-6.63039,-6.54,-0.61,-6.130015995721051
CC1=C(C(=O)OCC(C)C)[C@H](c2ccc(O)cc2)NC(=O)N1,C00494426_decoy,ADA,Decoy,0,-7.92218,-7.93,-0.75,-8.576491391317452
ONc1nsc(N2CCOCC2)c1Nc1ccc(F)cc1,C01096798_decoy,ADA,Decoy,0,-7.93165,-6.58,-0.52,-6.811352866686001
C/C(=N/NC(=O)CNC(=O)c1ccccc1O)c1ccc(F)cc1,C05175481_decoy,ADA,Decoy,0,-7.20339,-8.64,-0.57,-8.218137697983762
O=c1cc(-c2ccccc2)nc(N/N=C/c2cccc(O)c2)[nH]1,C05615080_decoy,ADA,Decoy,0,-8.85878,-9.07,-0.16,-9.573208477726697
CCCNC(=O)[C@]1(O)c2ccccc2NC(=O)N1c1ccccc1,C06725075_decoy,ADA,Decoy,0,-6.33282,-6.26,-1.16,-4.640327995434792
C[C@H](OC(=O)c1ccccc1N)C(=O)Nc1ccc(C#N)cc1,C09751741_decoy,ADA,Decoy,0,-6.63179,-8.42,-0.73,-6.425061216171051
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)CSc1ncc(C#N)c(N)n1,C07045545_decoy,ADA,Decoy,0,-8.66479,-6.69,-0.14,-6.7445241765553
COc1ccccc1N[C@@H](C)C(=O)NC(=O)NC1CCCC1,C12549591_decoy,ADA,Decoy,0,-6.9572,-7.06,-1.06,-7.825917481579431
C[C@H]1C[C@@H]1c1ccc(/C=C/C(=O)Nc2ccc3[nH]c(=O)[nH]c3c2)o1,C16260566_decoy,ADA,Decoy,0,-8.21907,-9.12,-1.38,-13.291568836722725
O=C(NS(=O)(=O)NC1CCCCC1)c1c[nH]c2ccccc12,C16577279_decoy,ADA,Decoy,0,-8.79648,-9.16,0.16,-9.075269443837206
CCc1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1,C17055269_decoy,ADA,Decoy,0,-8.64184,-7.99,-1.11,-12.34695456041402
COc1cc(OC)c(NC(=O)C2=CNSN2)cc1Cl,C19793823_decoy,ADA,Decoy,0,-8.25955,-6.84,-0.49,-7.083128668258836
C[C@@H](OC(=O)c1ccc(Cl)c(N)c1)C(=O)NCc1ccco1,C22885517_decoy,ADA,Decoy,0,-7.08589,-7.04,-1.66,-5.950083510323823
CCOc1ccc(Cl)cc1/C=C(\C#N)c1n[nH]c(N)c1C#N,C23410330_decoy,ADA,Decoy,0,-8.25573,-8.48,-1.62,-10.5421477186852
C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)N2CCCC2)cc1,C29811234_decoy,ADA,Decoy,0,-7.42142,-6.7,-0.75,-7.642628289051832
Cc1c(C(=O)OC2CCCCC2)sc2ncnc(NN)c12,C31863404_decoy,ADA,Decoy,0,-10.2208,-7.84,-0.48,-8.679927324608364
COc1ccc(-c2n[nH]c3c(N)cccc23)c(OC)c1OC,C31991688_decoy,ADA,Decoy,0,-7.05125,-7.85,-0.92,-7.413586553376954
CCOc1cc(OCC)c2c(c1)OC(C)(C)C[C@@]2([NH3+])C(=O)[O-],C36142297_decoy,ADA,Decoy,0,-7.84457,-6.9,0.03,-9.047463852754838
O=[N+]([O-])c1ccc(O)c(NC(=S)Nc2ccc(F)cc2F)c1,C39968735_decoy,ADA,Decoy,0,-7.3384,-7.24,-0.48,-6.337748390695003
CCCSc1nc2n(n1)[C@@H](c1ccccc1)C(C(N)=O)=C(C)N2,C40983004_decoy,ADA,Decoy,0,-7.40848,-6.9,-1.54,-6.927958961810014
CC(=O)NCCNC(=O)Nc1ccccc1N(C)c1ccccc1,C43140835_decoy,ADA,Decoy,0,-6.821,-8.24,-1.49,-7.259690033549964
C=CCNC(=O)NCC1CCN(C(=O)Nc2cccs2)CC1,C44004511_decoy,ADA,Decoy,0,-7.92501,-7.1,-0.64,-6.631146331980888
O=C(COc1ccccc1F)NNC(=O)Nc1ccccc1,C46439041_decoy,ADA,Decoy,0,-6.09215,-6.96,-0.66,-5.114403185425345
CC[C@@H](C)[C@H](C)Nc1c(N)n(CC(C)C)c(=O)n(C)c1=O,C48805905_decoy,ADA,Decoy,0,-6.96435,-5.17,-1.84,-4.698620108135873
CCc1nc(N)n(CC(=O)Nc2cccc(C)c2C)c(=O)c1C,C49410972_decoy,ADA,Decoy,0,-7.48686,-8.33,-0.68,-12.50299414209166
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)NC1CCCC1,C49419591_decoy,ADA,Decoy,0,-8.04411,-7.36,-0.44,-6.016368895310852
Cc1cc(C(=O)NNc2ccc(F)cc2)ccc1N1CCNC1=O,C53324041_decoy,ADA,Decoy,0,-7.31823,-9.72,-0.18,-12.674844693884772
CC(C)[C@@H]1CC[C@H](C)C[C@H]1Oc1nccnc1/C(N)=N/O,C54381809_decoy,ADA,Decoy,0,-8.30074,-8.17,-0.5,-7.693106792359649
Nc1nonc1C(=O)Nc1ccccc1SC1CCCC1,C54420396_decoy,ADA,Decoy,0,-8.86241,-6.61,-1.89,-7.498480304441696
CC(C)(C)[C@@H](NC(=O)c1nonc1N)c1ccc(F)cc1,C54430713_decoy,ADA,Decoy,0,-6.5952,-6.23,-1.05,-6.549404758258344
CC[C@H](NC(=O)NNC(=O)OC(C)(C)C)c1cccs1,C57245089_decoy,ADA,Decoy,0,-7.02715,-5.68,-1.15,-5.092448514725118
CCCN1C(=O)/C(=N\NC(=O)c2ccc(N)cc2)c2ccccc21,C00197485_decoy,ADA,Decoy,0,-7.67941,-6.65,0.1,-6.6230829942616
CNC(=O)c1ccc(OC)c(NC(=O)N[C@@H](C)c2ccccc2)c1,C57705849_decoy,ADA,Decoy,0,-7.61001,-6.3,-1.17,-6.224737313465927
CC(C)NC(=O)Nc1cccc(NC(=O)c2ccc(C#N)cc2)c1,C24510056_decoy,ADA,Decoy,0,-7.97846,-7.57,-1.14,-8.139402101346144
CC(C)NC(=O)Nc1ccccc1C(=O)N[C@H](C)Cc1ccco1,C58104349_decoy,ADA,Decoy,0,-7.05025,-4.81,-0.53,-5.2227317142121
CC[C@H]1CCc2sc(C(=O)O[C@H](C)C(=O)NC(N)=O)cc2C1,C03548547_decoy,ADA,Decoy,0,-8.53863,-7.95,-0.54,-7.701434055968217
CCCc1c(C(=O)NNC(=O)c2ccccc2)[nH]c(C)c1C(C)=O,C48190027_decoy,ADA,Decoy,0,-7.27718,-7.2,-0.99,-6.16204243385587
Nc1ccc(C(=O)NCc2ccc3c(c2)CCC3)cc1[N+](=O)[O-],C60692778_decoy,ADA,Decoy,0,-6.94659,-10.82,-0.33,-11.771296774029446
O=C(NNC(=O)c1ccoc1)NC1CCC(c2ccccc2)CC1,C61861867_decoy,ADA,Decoy,0,-8.00893,-8.26,-0.36,-6.130607472760518
C[NH+](CCNC(=O)Nc1cc(C(=O)[O-])ccc1Cl)C1CC1,C62010919_decoy,ADA,Decoy,0,-7.3517,-7.6,-0.87,-7.788965875005347
Cc1ccc(NC(=O)CNC(=O)c2ccccc2F)c2[nH]ncc12,C63864939_decoy,ADA,Decoy,0,-7.90607,-6.86,0.09,-6.648063236929601
CCCN1NNN=C1CSc1nc(-c2ccc(F)cc2)c[nH]1,C40069244_decoy,ADA,Decoy,0,-9.99089,-7.5,-0.57,-9.05401115717184
CCNC(=O)NNS(=O)(=O)c1ccccc1-c1ccccc1,C64940139_decoy,ADA,Decoy,0,-7.56623,-8.82,-1.61,-8.031178142526338
O=C(NCCc1ccc(O)cc1)NCc1ccc2c(c1)OCO2,C53747686_decoy,ADA,Decoy,0,-7.6095,-8.58,-0.15,-10.078317424569304
CC(C)CNC(=O)NNC(=O)/C=C/c1ccc2c(c1)CCO2,C65180515_decoy,ADA,Decoy,0,-7.75882,-9.39,0.09,-13.35034739841517
N#Cc1cnn(-c2ccc(C(=O)NCC3CCCCC3)cc2)c1N,C66239491_decoy,ADA,Decoy,0,-8.01195,-7.93,-1.87,-6.32112562334507
CCOCC(=O)NNC(=O)N[C@@H](C)C12CC3CC(CC(C3)C1)C2,C66688065_decoy,ADA,Decoy,0,-7.79483,-7.15,-0.81,-6.128597552498001
CCOCC(=O)NNC(=O)N[C@@H]1C[C@@H](C)CC[C@@H]1C(C)C,C66698987_decoy,ADA,Decoy,0,-7.16205,-7.63,-2.56,-8.141163640576075
CCOCC(=O)NNC(=O)N[C@@H]1CCCC[C@H]1C(C)(C)C,C66699243_decoy,ADA,Decoy,0,-7.74121,-7.21,-3.12,-7.485800635090876
CC(C)CCC(=O)NNC(=O)N[C@H](C)c1ccc(C#N)cc1,C67065883_decoy,ADA,Decoy,0,-7.47889,-6.28,-0.53,-5.965710616925929
CCN1C(N)=C(C#N)C2(CC[NH2+]CC2)c2nc(C)oc21,C05686351_decoy,ADA,Decoy,0,-6.51186,-6.3,0.15,-6.116557004492442
COC(=O)C1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1,C15412904_decoy,ADA,Decoy,0,-6.85932,-6.62,-0.58,-5.882014872983382
O=C(c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@@H]1CCC[NH2+]C1,C19421802_decoy,ADA,Decoy,0,-7.5891,-8.16,-0.09,-7.328410133462438
C[C@@H](C(=O)N1CCNCC1)[NH+]1CCC(C(N)=O)CC1,C19516239_decoy,ADA,Decoy,0,-6.59234,-6.68,-0.04,-5.9925052102477
[NH3+]C[C@@H](O)CN1CCN(S(=O)(=O)c2cccs2)CC1,C19679705_decoy,ADA,Decoy,0,-10.2197,-7.67,-0.29,-8.889751372081182
O=C(NC[C@@H](O)CN1CC[NH2+]CC1)[C@@H]1CCCO1,C19681123_decoy,ADA,Decoy,0,-7.04738,-6.57,-0.88,-6.830088658696177
CCN(CC[NH3+])S(=O)(=O)c1c(C)n[nH]c1C,C20183171_decoy,ADA,Decoy,0,-5.56533,-5.37,-0.82,-6.006863463001084
C[C@@H]([NH3+])c1cccc(S(=O)(=O)N[C@@H]2CCS(=O)(=O)C2)c1,C21513034_decoy,ADA,Decoy,0,-8.42939,-6.33,-0.59,-5.63366512513868
O=C(N[C@H]1CCCCNC1=O)c1coc([C@@H]2CCC[NH2+]C2)n1,C33670782_decoy,ADA,Decoy,0,-7.40148,-6.87,-1.57,-5.231509026624852
CS(=O)(=O)c1ccc(Cl)c(S(=O)(=O)N[C@H]2C[C@@H]2[NH3+])c1,C36264614_decoy,ADA,Decoy,0,-9.75052,-7.28,-0.47,-7.837006681428191
CS(=O)(=O)c1ccc(N[C@@H]2C[C@H]2[NH3+])c([N+](=O)[O-])c1,C36267559_decoy,ADA,Decoy,0,-5.57233,-6.36,-0.33,-6.4067506561234
C[C@H](CN1CCOCC1)[NH2+]C1CCN(C(N)=O)CC1,C37273641_decoy,ADA,Decoy,0,-7.30776,-6.53,-0.2,-7.285407248977787
NC(=O)CN(C(=O)[C@@H]1COCCO1)C1CC[NH2+]CC1,C37542691_decoy,ADA,Decoy,0,-6.68694,-6.12,-0.03,-6.162178132328088
C[C@@]([NH3+])(C(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC1,C37614608_decoy,ADA,Decoy,0,-7.89457,-7.05,-0.41,-6.632856777684306
C[C@H](NS(=O)(=O)c1cn[nH]c1)C1CC[NH2+]CC1,C37745005_decoy,ADA,Decoy,0,-7.2602,-6.49,-0.67,-6.318935185883871
C[NH+]1CCN(CCNS(=O)(=O)c2ccc(N)cc2)CC1,C37759513_decoy,ADA,Decoy,0,-7.25769,-6.22,-1.22,-4.93543970333253
CNC(=O)CN1CCN(C(=O)C2([NH3+])CCCC2)CC1,C37800981_decoy,ADA,Decoy,0,-7.04878,-5.4,-0.44,-4.459205656988648
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1,C37819963_decoy,ADA,Decoy,0,-7.94723,-6.81,-1.51,-8.02477024024878
CC[C@H]([NH3+])C(=O)N1CCC[C@@H](CNS(C)(=O)=O)C1,C37820001_decoy,ADA,Decoy,0,-7.66873,-6.95,-0.86,-7.286257482915946
[NH3+]Cc1ccc(S(=O)(=O)NC[C@H]2COCCO2)s1,C38063214_decoy,ADA,Decoy,0,-8.67613,-5.17,-1.26,-5.2306028765625445
[NH3+]CC#Cc1ccc(S(=O)(=O)NC[C@@H]2COCCO2)cc1,C38063389_decoy,ADA,Decoy,0,-8.3799,-6.83,-0.33,-5.48761634502094
CC1=C(S(=O)(=O)Nc2ccc([C@H](C)[NH3+])cc2)[C@H](C)N=N1,C38764323_decoy,ADA,Decoy,0,-7.10553,-6.32,-0.4,-5.112318425238504
C[C@@H]([NH3+])CC(=O)N1CCC([NH+]2CCC[C@@H]2C(=O)[O-])CC1,C40486777_decoy,ADA,Decoy,0,-5.53775,-6.57,-0.29,-5.5832597469843614
CCS(=O)(=O)N1CCC(NC(=O)C2CCC([NH3+])CC2)CC1,C40831668_decoy,ADA,Decoy,0,-8.79716,-4.9,-1.07,-4.757279159352417
CNC(=O)[C@H]1CCCCN1S(=O)(=O)CCC[NH3+],C42424289_decoy,ADA,Decoy,0,-8.11853,-5.22,-0.16,-8.227557784288557
C[C@@H]1CC[C@@H](C(N)=O)CN1S(=O)(=O)N1CCC[NH2+]CC1,C42429606_decoy,ADA,Decoy,0,-7.453,-7.75,-0.63,-7.152102299824314
O=C([O-])c1ccc(NCCN2CC[NH2+]CC2)[nH+]c1,C42430748_decoy,ADA,Decoy,0,-7.9256,-5.65,-0.7,-5.487499918023763
C[NH+](C)C(C)(C)CNC(=O)c1cc(N)cc(S(C)(=O)=O)c1,C43411077_decoy,ADA,Decoy,0,-7.96959,-7.42,-0.39,-6.581622575716228
O=C1COc2cc(NC(=O)[C@H]3C[NH2+]CCO3)c(Cl)cc2N1,C43708682_decoy,ADA,Decoy,0,-8.28502,-8.86,-0.49,-8.172642095844644
CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2C[NH2+]CCO2)cc1,C43708984_decoy,ADA,Decoy,0,-7.84626,-3.71,-0.43,-3.8382982366512937
NC(=S)CNC(=O)C(=O)N1CC[NH+](CC2CC2)CC1,C48995749_decoy,ADA,Decoy,0,-8.26243,-6.27,-1.03,-7.456289206453087
Cc1nn(CC(=O)N[C@H]2CC[NH+]3CCC[C@H]23)c(C)c1N,C49562886_decoy,ADA,Decoy,0,-7.05795,-7.02,-1.03,-6.007748312251055
NNc1ccc(C[NH+]2CC[S+]([O-])CC2)cc1[N+](=O)[O-],C51145144_decoy,ADA,Decoy,0,-8.05238,-7.53,-0.75,-7.149168182956941
[NH3+]C[C@H]1CCCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1,C44529304_decoy,ADA,Decoy,0,-8.4089,-5.38,-0.48,-5.24817408180331
Cn1cc(S(=O)(=O)N[C@H]2CCC[C@H]2C[NH3+])cn1,C61884174_decoy,ADA,Decoy,0,-7.6852,-6.58,0.02,-8.116596374069164
[NH3+]CCCCS(=O)(=O)N1CCNC(=O)CC1,C62098985_decoy,ADA,Decoy,0,-7.14188,-5.78,-0.52,-5.789667146293749
CNC(=O)[C@@H]1CCCCN1C(=O)[C@@H]1C[NH2+]CCN1,C62813188_decoy,ADA,Decoy,0,-6.75053,-6.34,-0.85,-9.298740528381654
CC(C)NC(=O)CN(C)C(=O)[C@H]1C[NH2+][C@H](C)CN1,C62815162_decoy,ADA,Decoy,0,-6.42968,-4.59,-1.2,-4.002355856037317
CC[C@@]1(C(=O)N2CCC3(CC2)NC(=O)NC3=O)CC[NH2+]C1,C62895922_decoy,ADA,Decoy,0,-7.69595,-8.61,-0.87,-7.89963459913486
Cn1cc([N+](=O)[O-])cc1C(=O)N[C@H]1CCC[C@H]1[NH3+],C63172864_decoy,ADA,Decoy,0,-5.99811,-6.12,-0.03,-4.531099582634756
CS(=O)(=O)CCS(=O)(=O)N[C@@H]1CCC[C@H]1[NH3+],C63175025_decoy,ADA,Decoy,0,-7.03488,-6.34,-0.2,-7.249641065365131
[NH3+][C@@H]1CCC[C@H]1NS(=O)(=O)[C@@H]1CCS(=O)(=O)C1,C63175197_decoy,ADA,Decoy,0,-7.88296,-6.93,-0.62,-6.695433762666045
CS(=O)(=O)c1ccc(S(=O)(=O)N[C@H]2CCC[C@@H]2[NH3+])cc1,C63175603_decoy,ADA,Decoy,0,-7.92771,-6.75,-0.99,-6.238329407311236
Cn1c(=O)oc2cc(S(=O)(=O)N[C@@H]3CCC[C@@H]3[NH3+])ccc21,C63175610_decoy,ADA,Decoy,0,-7.93282,-6.34,-7.0,-5.906339592108024
C[C@H]([NH3+])[C@@H]1CCCCN1CC(=O)N[C@]1(C)CCS(=O)(=O)C1,C63195421_decoy,ADA,Decoy,0,-7.10559,-7.76,-0.14,-6.638387689848566
CS(=O)(=O)CCS(=O)(=O)N[C@H]1CCCCC[C@@H]1[NH3+],C63213254_decoy,ADA,Decoy,0,-7.69295,-5.3,-0.55,-4.874822843479063
C[C@H]1CN(C2CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC2)CCO1,C66561832_decoy,ADA,Decoy,0,-7.99233,-4.05,-0.1,-4.187147376267504
C[NH+]1CC[C@H](CNC(=O)C2CCN(C(N)=O)CC2)C1,C66652715_decoy,ADA,Decoy,0,-6.98288,-7.41,-0.84,-6.837239444352603
C[C@@H]1CCCN(C(=O)C[NH+]2C[C@H](O)C[C@@H]2C(N)=O)C1,C67128647_decoy,ADA,Decoy,0,-7.37649,-6.94,-0.74,-6.593327432879602
O=C1NC(=O)C2(CCC(C(=O)N[C@H]3CC[NH+](C4CC4)C3)CC2)N1,C67270004_decoy,ADA,Decoy,0,-7.97593,-7.0,-2.2,-5.370204261763315
Cc1ccccc1OCC(=O)NNC(=O)Nc1ccc(F)cc1,C06925130_decoy,ADA,Decoy,0,-7.29891,-8.92,-0.59,-8.397070864592765
O=C(/C=C/c1ccccc1OC(F)F)Nc1ccc2[nH]c(=O)[nH]c2c1,C12832085_decoy,ADA,Decoy,0,-6.61845,-7.62,-0.9,-5.4073659277723785
Cc1ccc(NC(=O)c2[nH]c(C)c(C(=O)OC(C)C)c2C)c(O)c1,C15721246_decoy,ADA,Decoy,0,-8.08358,-8.85,-0.37,-7.893530444083757
O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1cc(-c2ccccc2)n[nH]1,C15841876_decoy,ADA,Decoy,0,-8.20916,-10.1,-0.31,-8.863790843429936
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccc2c(c1)OCO2,C16184912_decoy,ADA,Decoy,0,-8.96743,-6.54,-0.36,-5.509680080814397
CC(C)c1ccc(S(=O)(=O)N/N=C\c2cccc(O)c2O)cc1,C17070465_decoy,ADA,Decoy,0,-8.1256,-7.98,-0.35,-7.046895485170925
Cc1cccc(OCC(=O)NNC(=O)NC2CCCCC2)c1C,C14648824_decoy,ADA,Decoy,0,-7.78338,-8.71,-0.38,-8.483062479472249
COc1ccc(-c2cc(-c3ccccc3)nc(NN)n2)cc1OC,C00435062_decoy,ADA,Decoy,0,-9.67018,-8.94,-0.54,-11.130279916656308
CCCCc1nc2c(o1)NC(N)=C(C#N)[C@@H]2c1ccccc1OCC,C39323879_decoy,ADA,Decoy,0,-8.28333,-7.83,0.05,-8.125835475139246
COCCCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1N,C40757283_decoy,ADA,Decoy,0,-7.47619,-7.49,-3.08,-10.44050608238695
CC(C)c1ccc(/C=N/NC(=O)CSc2nnc(N)s2)cc1,C40947039_decoy,ADA,Decoy,0,-11.0012,-8.18,-0.62,-8.958204304149554
C=CCOc1cccc(NC(=O)/C(C#N)=C/c2ccc(O)c(O)c2)c1,C41716876_decoy,ADA,Decoy,0,-9.86897,-8.7,-0.54,-17.51216241070563
CC1CCN(C(=O)[C@H](C)Nc2ccc(NC(=O)NC3CC3)cc2)CC1,C42667336_decoy,ADA,Decoy,0,-7.49505,-8.3,-1.72,-9.689465335805062
CC[C@@H]1CCCCN1C(=O)NCCc1ccc(S(N)(=O)=O)cc1,C42947903_decoy,ADA,Decoy,0,-8.51123,-9.02,-0.82,-9.077913098044323
CCOc1ccc(C(=O)NNC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)cc1,C43042737_decoy,ADA,Decoy,0,-8.13682,-8.65,-0.84,-8.011857607941458
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)N[C@H]1CCCC[C@@H]1C,C43046759_decoy,ADA,Decoy,0,-7.05238,-7.25,-1.07,-6.278807790700667
O=C(NCCNC(=O)C1CC1)Nc1ccccc1Oc1ccccc1,C43349633_decoy,ADA,Decoy,0,-7.65044,-8.3,-0.57,-10.560907091220542
Nc1nc(CSC[C@H]2CCCCO2)nc(Nc2ccccc2)n1,C45009388_decoy,ADA,Decoy,0,-11.3597,-9.25,-0.61,-10.699471622759988
CC(=O)Nc1ccc(NC(=O)NCCO[C@@H]2CCCC[C@@H]2C)cc1,C45979960_decoy,ADA,Decoy,0,-7.7769,-7.6,-2.48,-7.298069219359797
O=C(COc1ccccc1F)NNC(=O)Nc1ccccc1Cl,C46439033_decoy,ADA,Decoy,0,-7.54465,-6.94,-0.59,-6.903696477466593
O=C(COc1ccccc1F)NNC(=O)Nc1cccc(Cl)c1,C46439039_decoy,ADA,Decoy,0,-7.64905,-8.67,-0.71,-8.43041447552204
COc1ccccc1[C@@H](C)NC(=O)NNc1cccc(C#N)c1,C49778835_decoy,ADA,Decoy,0,-7.73423,-6.53,-0.5,-5.681078030318671
CC(C)(C)CC(C)(C)NS(=O)(=O)c1c(N)nc2sccn12,C50676681_decoy,ADA,Decoy,0,-7.56327,-7.71,-1.73,-7.165011487310348
Cc1cccc(O[C@H](C)C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1,C53848327_decoy,ADA,Decoy,0,-7.91387,-8.4,-1.11,-8.136167268298982
Cc1ccc(C)c(OCC(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)c1,C53850847_decoy,ADA,Decoy,0,-7.7096,-9.07,-0.59,-7.728321020993567
C[C@H]1CCCC[C@@H]1NC(=O)NNC(=O)COc1ccccc1F,C54094547_decoy,ADA,Decoy,0,-7.04868,-9.3,-0.74,-8.31673848147435
COC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2c(C)cccc2C)cc1,C56187081_decoy,ADA,Decoy,0,-7.32105,-7.2,-0.58,-6.664222205627638
COc1ccccc1CC(=O)NNC(=O)N[C@H]1CCC[C@H](C)[C@H]1C,C56546264_decoy,ADA,Decoy,0,-7.8133,-6.98,-0.96,-7.511092108561832
COc1ccc(-c2[nH]ncc2/C=N\NC(=S)NC(C)(C)C)cc1,C34629333_decoy,ADA,Decoy,0,-8.35177,-6.74,-0.69,-6.824408571449276
CCCOc1ccc([C@@H]2C(C#N)=C(N)Oc3[nH]nc(CCC)c32)cc1,C05051883_decoy,ADA,Decoy,0,-9.31425,-7.61,0.43,-11.949498832310216
Cc1cccc(C(=O)O[C@@H](C)C(=O)Nc2ccc(N(C)C)cc2)c1N,C22179099_decoy,ADA,Decoy,0,-7.94214,-8.41,-0.84,-8.063046799719185
CCNC(=O)NC(=O)CNc1ccccc1N(C)Cc1ccccc1,C58005708_decoy,ADA,Decoy,0,-7.65122,-6.5,-2.71,-6.843011039597314
O=C(CNC(=O)Nc1ccc(Cl)cc1Cl)NCc1ccco1,C54533355_decoy,ADA,Decoy,0,-8.20496,-6.91,-0.89,-7.494531990297955
Cc1cc(N(C)C)ccc1NC(=O)NCC(=O)NC(C)(C)C,C46015536_decoy,ADA,Decoy,0,-7.19514,-6.86,-0.46,-5.673202358026916
CCC[C@@H]1CCCN(C(=O)Nc2ccc(OCC(N)=O)cc2)CC1,C61750950_decoy,ADA,Decoy,0,-8.74589,-3.49,-0.6,-5.1659031866826535
C=C(C)CSc1nnc(-c2cc(-c3ccc(F)cc3)n[nH]2)n1N,C09110545_decoy,ADA,Decoy,0,-8.08606,-8.5,-0.22,-7.172722617629069
C[C@@H](NC(=O)NCCNC(=O)OC(C)(C)C)c1ccc(Cl)cc1,C62650297_decoy,ADA,Decoy,0,-7.6164,-7.82,-1.7,-8.371762793960954
CC(C)CNC(=O)NNS(=O)(=O)c1ccc(CC(C)C)cc1,C64939942_decoy,ADA,Decoy,0,-8.62145,-8.84,-0.21,-9.42759780328614
CC(C)CCNC(=O)NNC(=O)c1occc1-c1ccccc1,C65134958_decoy,ADA,Decoy,0,-7.48105,-7.44,-0.49,-8.467001262843517
NS(=O)(=O)c1cccnc1Nc1ccc(Oc2ccccc2)cc1,C49402355_decoy,ADA,Decoy,0,-8.33128,-7.91,-0.74,-9.097127186714294
Cc1cccnc1NC(=O)NCCNc1ncc(Cl)cc1Cl,C46903882_decoy,ADA,Decoy,0,-8.08387,-7.49,-1.38,-8.098393641056028
CCCCN(C)C(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1,C65751615_decoy,ADA,Decoy,0,-7.2526,-6.21,-0.3,-6.652325417779198
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)Nc1cc(C)c(Cl)cc1OC,C65985268_decoy,ADA,Decoy,0,-7.5555,-7.25,-1.51,-7.339329344759887
C[C@@H]1CCCC[C@H]1OCCNC(=O)N1CCC[C@H](CCC(N)=O)C1,C66121013_decoy,ADA,Decoy,0,-9.76748,-8.41,-1.99,-9.42562392389002
Cc1ccccc1[C@@H](C#N)NC(=O)CNC(=O)NCC1CCCC1,C66403806_decoy,ADA,Decoy,0,-7.61216,-9.1,-0.6,-12.564834240232436
CC1(CNC(=O)NCc2ccc(N3CCNC(=O)C3)cc2)CCCC1,C66597487_decoy,ADA,Decoy,0,-8.6703,-9.48,-0.59,-14.296946002542292
CC(C)Oc1cccc(/C=C/C(=O)NNC(=O)NC2CCCC2)c1,C66641118_decoy,ADA,Decoy,0,-8.79864,-8.69,-1.03,-8.894292446787626
Nc1ccc(C(=O)Nc2cccc(SC(F)F)c2)cc1[N+](=O)[O-],C66782691_decoy,ADA,Decoy,0,-6.71722,-8.16,-0.21,-6.998191899446066
Cc1cccc(C(=O)NNC(=O)NCCCN(C)c2ccccc2)c1,C67041704_decoy,ADA,Decoy,0,-7.37815,-10.13,-1.05,-9.118889204252223
COc1ccccc1C(=O)NNC(=O)NCc1ccc(Cl)s1,C67456222_decoy,ADA,Decoy,0,-7.77705,-7.68,-0.59,-7.982092429618085
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCc1ccco1,C02647791_decoy,ADA,Decoy,0,-6.00097,-5.09,-3.22,-4.782923620941289
CCC[C@H](C)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C,C19415100_decoy,ADA,Decoy,0,-6.52015,-5.41,-2.11,-5.067481185012961
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCC1CC1,C19420715_decoy,ADA,Decoy,0,-6.4518,-5.2,-0.65,-4.69851873979813
CCC(CC)NC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C,C19421035_decoy,ADA,Decoy,0,-6.05258,-5.12,-0.85,-4.437946510891671
CC[C@@H](C)NC(=O)[C@@H](CC(C)C)NC(=O)OC(C)(C)C,C19421315_decoy,ADA,Decoy,0,-6.0619,-4.69,-1.51,-4.346510719200295
CCC[C@@H](C)NC(=O)[C@@H](C)Nc1ccccc1OCC,C20367191_decoy,ADA,Decoy,0,-6.19991,-6.37,-1.21,-6.848523258308858
CCCCN(CCCC)S(=O)(=O)c1ccc(Cl)c(N)c1,C20484495_decoy,ADA,Decoy,0,-7.66174,-6.07,-1.99,-7.457552169486084
CCC[C@H](C)NC(=O)[C@@H](CCSC)NC(=O)OC(C)(C)C,C21058266_decoy,ADA,Decoy,0,-7.65231,-4.58,-2.01,-4.933325665155577
CC[C@H](C)NC(=O)[C@H](CCSC)NC(=O)OC(C)(C)C,C21507142_decoy,ADA,Decoy,0,-7.51662,-5.09,-0.63,-4.96989984167776
CCOC(=O)N[C@H](CNC(=O)c1ccc(OC)cc1)CC(C)C,C31705909_decoy,ADA,Decoy,0,-7.12425,-7.29,-2.11,-7.489547283072693
CCOC(=O)N[C@H](CNC(=O)c1ccc(F)cc1)CC(C)C,C31706042_decoy,ADA,Decoy,0,-6.67476,-7.33,-0.84,-7.12960578202969
CCCN(CCC)C(=O)CCc1ccc(N(CC)CC)c(N)c1,C31900805_decoy,ADA,Decoy,0,-6.8407,-7.17,-2.11,-7.326947652399523
CCCCCC1=CCC/C1=N\NC(=S)NC[C@@H]1CCCO1,C06685569_decoy,ADA,Decoy,0,-7.9992,-7.08,-1.23,-7.864548364365874
CCCCCC1=CCC/C1=N\NC(=S)NC[C@H]1CCCO1,C06685570_decoy,ADA,Decoy,0,-8.11458,-7.18,-2.7,-10.560270495109028
CCCC(CCC)Nc1ccccc1S(=O)(=O)NCC,C37048818_decoy,ADA,Decoy,0,-7.51925,-6.48,-0.49,-8.297099021765723
CCNS(=O)(=O)c1ccc(N[C@@H](CC)C[C@H](C)CC)cc1,C37136103_decoy,ADA,Decoy,0,-7.86669,-6.11,-0.32,-7.195753373626728
CC[C@H](C)C[C@@H](CC)Nc1ccc(NS(=O)(=O)CC)cc1,C37784840_decoy,ADA,Decoy,0,-7.79482,-6.4,-0.14,-7.687238349743289
CC(C)CCNC(=O)[C@H](C)Nc1ccccc1OC(F)F,C37326406_decoy,ADA,Decoy,0,-6.77382,-5.7,-1.21,-5.253303862440545
CCOC(=O)N[C@H](CNC(=O)Cc1ccc(F)cc1)CC(C)C,C40089056_decoy,ADA,Decoy,0,-7.09976,-5.68,-0.66,-5.353397013298163
CC[C@]([NH2+][C@@H](C)CC(C)C)(C(=O)[O-])c1ccc(OC)cc1,C41795133_decoy,ADA,Decoy,0,-7.52689,-6.72,-0.93,-8.207515971179665
CCC(CC)NC(=O)CNc1ccccc1OC(F)(F)F,C42315607_decoy,ADA,Decoy,0,-4.90114,-5.94,-1.82,-3.748843447407152
CCCC[C@H]1C[C@@H]1C(=O)NNC(=O)[C@@H]1C[C@@H]1CCCC,C22017286_decoy,ADA,Decoy,0,-7.38026,-7.05,-1.38,-10.973637321131717
CNS(=O)(=O)c1ccccc1N[C@H](C)CCCC(C)C,C49146491_decoy,ADA,Decoy,0,-7.69795,-6.09,-2.22,-6.970303921574103
CCC[C@@H](CC)Nc1ccc(S(=O)(=O)NCC)cc1,C50405812_decoy,ADA,Decoy,0,-7.43852,-6.87,-0.68,-7.479049623341399
CCCNc1ccccc1S(=O)(=O)N[C@@H](CC)CCC,C50661256_decoy,ADA,Decoy,0,-7.08744,-5.56,-2.13,-6.372494357001354
COCC[NH2+][C@H](C(=O)[O-])c1ccc(SC(F)(F)F)cc1,C53260530_decoy,ADA,Decoy,0,-6.02257,-5.33,-0.48,-4.830059263354799
CC[C@@H](C)CNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C,C54473508_decoy,ADA,Decoy,0,-6.45422,-4.74,-1.05,-4.444156672096271
CCOc1ccc(/C=C\C(=O)N(CC(C)C)CC(C)C)cc1N,C57898346_decoy,ADA,Decoy,0,-7.23366,-7.71,-1.31,-7.9971211944656515
CCCCN(CCCC)C(=O)/C=C\c1ccc(OCC)c(N)c1,C57898428_decoy,ADA,Decoy,0,-7.28041,-7.39,-0.81,-7.678238706732284
CCCN(CCC)C(=O)/C=C\c1ccc(OC(C)C)c(N)c1,C57898437_decoy,ADA,Decoy,0,-7.26456,-7.56,-0.68,-7.937251477922047
CCCCN(CC)C(=O)/C=C\c1ccc(OCC(C)C)c(N)c1,C57898479_decoy,ADA,Decoy,0,-6.9713,-7.21,-0.85,-6.7862162861671225
O=C(NCCCOC1CCCCC1)NCCC1=CCCCC1,C59036157_decoy,ADA,Decoy,0,-7.92859,-8.5,-1.31,-7.781576446798016
CCOC(=O)N[C@@H](CNC(=O)C(CC)CC)CC(C)C,C59251662_decoy,ADA,Decoy,0,-6.95978,-5.7,-2.83,-6.373503641065251
CC(C)CCSc1nnc(N/N=C/C=C/c2ccccc2)[nH]1,C21079056_decoy,ADA,Decoy,0,-9.40379,-8.71,-0.66,-9.35771441142815
CCCCCSc1nnc(N/N=C/c2ccc(F)cc2)[nH]1,C59879015_decoy,ADA,Decoy,0,-8.44839,-7.58,-0.57,-7.851918524279378
CCCCSc1nnc(N/N=C(\C)CC(C)C)[nH]1,C59892048_decoy,ADA,Decoy,0,-7.37674,-6.52,-0.11,-6.968852084415176
CCCCOCCCNC(=O)N[C@H]1CCC[C@H](C(F)(F)F)C1,C60940302_decoy,ADA,Decoy,0,-6.31806,-7.77,-0.35,-7.114654495673462
CC[C@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCC(C)C,C62063086_decoy,ADA,Decoy,0,-6.43916,-4.33,-0.4,-4.405268899765355
CC[C@@H](C)[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCCOC,C62065170_decoy,ADA,Decoy,0,-6.5477,-4.54,-3.15,-4.653521306285723
CC(C)C[C@H](CNC(=O)[C@H](C)C1CC1)NC(=O)OC(C)(C)C,C62444639_decoy,ADA,Decoy,0,-6.74623,-5.03,-0.64,-5.094182117103618
COC(=O)N[C@@H](CC(C)C)C(=O)NCCC1=CCCCC1,C63257625_decoy,ADA,Decoy,0,-7.36664,-5.85,-1.43,-6.033677309115025
CCC/C=C/C(=O)NC[C@@H](CC(C)C)NC(=O)OCC,C63782304_decoy,ADA,Decoy,0,-6.76711,-4.76,-0.99,-4.640084009568063
COc1cccc(NCCNc2cccc(OCC(C)C)c2)c1,C66188292_decoy,ADA,Decoy,0,-7.15715,-7.51,-2.98,-7.861736900741794
CCOc1ccccc1NCCNc1ccccc1OCC,C66189182_decoy,ADA,Decoy,0,-7.35184,-5.82,-0.88,-5.191614627400489
C=CCOc1cccc(NC(=O)CNc2c(C)cccc2CC)c1,C66225290_decoy,ADA,Decoy,0,-7.42482,-6.53,-1.47,-5.39765375766374
CC(C)CCCNC(=O)C[C@@H](C)NC(=O)C1CCCCC1,C66290626_decoy,ADA,Decoy,0,-7.3441,-7.35,-1.04,-8.370566937421023
CC[C@H](C)Oc1ccc(N[C@H](C)C(=O)NCC(C)C)cc1,C66390925_decoy,ADA,Decoy,0,-7.07157,-7.14,-1.21,-7.152345386759545
CCC(CC)NC(=O)[C@@H]1CCC[C@H](C(=O)NC(CC)CC)C1,C67020534_decoy,ADA,Decoy,0,-7.64973,-5.19,-1.97,-5.715895612477735
CC(C)[C@H](CNC(=O)CNC(=O)OC(C)(C)C)c1ccccc1,C67163164_decoy,ADA,Decoy,0,-6.99973,-7.81,-1.14,-7.377086222230453
CCc1ccc([C@H](NCC(=O)NCc2ccco2)C(C)C)cc1,C67445809_decoy,ADA,Decoy,0,-6.94003,-6.09,-2.15,-5.33832273589104
Cc1ccccc1/N=N/c1ccc(N(CCO)CCO)cc1,C05172991_decoy,ADA,Decoy,0,-8.29984,-6.4,-0.55,-7.350413166362003
C=CCOc1ccc(C[NH2+]Cc2ccc(C(=O)[O-])cc2)cc1,C06856077_decoy,ADA,Decoy,0,-7.26634,-6.72,-0.69,-6.867419288279588
C=C(C)COc1ccc(NC(=S)NC(=O)C(C)(C)C)cc1,C09696911_decoy,ADA,Decoy,0,-8.15683,-6.1,-0.61,-6.7448494079356776
C=CCNC(=S)N/N=C\c1ccc(-c2ccc(F)cc2)o1,C12843938_decoy,ADA,Decoy,0,-7.56841,-7.28,-0.67,-7.795942211711058
CC[C@@H](C)NC(=O)[C@H](C)Nc1ccc(OC(F)(F)F)cc1,C20368376_decoy,ADA,Decoy,0,-6.1686,-5.94,-1.69,-5.172728097309533
CCOC(=O)N[C@@H](C(=O)N[C@H](C)c1ccc(F)cc1)C(C)C,C32911694_decoy,ADA,Decoy,0,-6.9162,-5.08,-0.05,-4.561449611013208
CCOC(=O)N[C@H](C(=O)N[C@@H](C)c1ccccc1C)C(C)C,C32912153_decoy,ADA,Decoy,0,-6.65039,-5.89,-0.36,-5.175759457423189
CCC[C@@H](C)Nc1ccc(S(=O)(=O)NC2CC2)cc1,C35353117_decoy,ADA,Decoy,0,-7.18682,-7.07,-0.86,-7.479114864596797
CCCOc1nc(N(CCC)CC2CC2)ccc1N,C36198077_decoy,ADA,Decoy,0,-7.78234,-6.77,-0.75,-9.401834005733424
CC[C@H](C)[C@H](C)Nc1ccc(NS(=O)(=O)CC)cc1,C37784915_decoy,ADA,Decoy,0,-7.7315,-5.89,-0.54,-6.439919450280102
O=C(NCCCCCCNC(=O)C1CCCC1)C1CCCC1,C04659149_decoy,ADA,Decoy,0,-7.58241,-6.61,-1.78,-7.183228617722069
CCOc1ccc(N[C@@H](C)CC(C)(C)OC)cc1CO,C37901610_decoy,ADA,Decoy,0,-7.80688,-5.54,-1.1,-5.671977115270539
COC(=O)[C@]1(NCC[NH+](C)C)CCCC[C@@H]1C(C)(C)C,C37964667_decoy,ADA,Decoy,0,-6.86019,-6.53,-3.12,-6.953855688115302
COC(=O)Nc1ccc(N[C@@H](C)CCC(C)C)cc1,C37092335_decoy,ADA,Decoy,0,-6.05118,-6.42,-1.31,-6.083857804545336
COc1ccc(N[C@@H](C)CCC(C)C)cc1OCCO,C37166421_decoy,ADA,Decoy,0,-6.85546,-6.4,-1.67,-6.990110408665324
CC(C)C[C@H](C)Nc1ccccc1S(=O)(=O)NC1CC1,C35353962_decoy,ADA,Decoy,0,-7.75487,-6.07,-1.16,-5.752982575940103
COc1ccc([C@@H](CC(=O)NCC(C)(C)O)C(C)C)cc1C,C40663933_decoy,ADA,Decoy,0,-7.98922,-5.92,-2.92,-5.446345835205691
CCOc1ccccc1OCCCOc1cccc(N)c1C,C41581690_decoy,ADA,Decoy,0,-6.5764,-7.63,-0.85,-7.014229154863261
CC[C@]([NH2+][C@@H](C)C(C)C)(C(=O)[O-])c1ccc(OC)cc1,C41728499_decoy,ADA,Decoy,0,-6.33217,-6.44,-1.1,-7.520565597758976
CCOc1ccccc1[C@@](C)([NH2+]CC(C)(C)C)C(=O)[O-],C41837042_decoy,ADA,Decoy,0,-6.96141,-5.13,-1.97,-4.815629935193449
C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCC1=CCCCC1,C43931629_decoy,ADA,Decoy,0,-6.85112,-7.67,-1.17,-10.630802272935128
CCCc1ccc([C@](C)([NH2+]C[C@H](C)COC)C(=O)[O-])cc1,C45652848_decoy,ADA,Decoy,0,-8.49163,-6.77,-0.87,-8.284207178692595
CC(C)CC[C@H](C)NC(=O)c1ccc(NC(=O)C(C)C)cc1,C31874396_decoy,ADA,Decoy,0,-7.92464,-8.04,-0.74,-7.971104782594697
CCc1ccc(C(=O)NC[C@H](Nc2ccccc2)C(C)C)o1,C47435312_decoy,ADA,Decoy,0,-6.99031,-7.8,-0.77,-7.808046411630652
CC[C@H](C)[C@@H](C)Nc1ccc(S(=O)(=O)NC2CC2)cc1,C49094423_decoy,ADA,Decoy,0,-7.80498,-6.18,-0.11,-6.68960327414277
CC[C@H](C)[C@H](C)[NH2+][C@](C)(C(=O)[O-])c1ccc(OC)cc1,C49106774_decoy,ADA,Decoy,0,-7.10263,-7.15,-0.64,-7.219832137836849
CCOC(=O)N[C@H](C(=O)NC[C@H]1CC=CCC1)C(C)C,C49295295_decoy,ADA,Decoy,0,-7.0597,-5.53,-2.36,-5.274965150846669
COc1ccc(NC[C@@H](O)COC2CCCCC2)cc1C,C49530017_decoy,ADA,Decoy,0,-8.04181,-7.57,-0.47,-7.895022871119872
CCC[C@H](CC)[NH2+][C@](C)(C(=O)[O-])c1ccccc1OC,C50398762_decoy,ADA,Decoy,0,-6.98159,-6.39,-1.25,-7.535355936838308
CCCC(C)(C)NC(=O)C[C@H](C)NC(=O)c1ccccc1,C50808892_decoy,ADA,Decoy,0,-6.34,-5.44,-0.42,-4.720644047110867
CCCOc1ccc(NC[C@H](O)COC2CCCC2)cc1,C51785830_decoy,ADA,Decoy,0,-8.32702,-7.72,-0.65,-8.560061322608368
COC(=O)[C@@](N)(COCC1CCCCC1)c1ccccc1,C52157111_decoy,ADA,Decoy,0,-7.52615,-7.31,-3.53,-7.572845820900754
CCC(CC)(CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-],C53071186_decoy,ADA,Decoy,0,-5.72927,-7.12,-1.42,-7.672011792518636
CCSc1ccccc1NCC(=O)N[C@@](C)(C#N)C(C)C,C55879817_decoy,ADA,Decoy,0,-8.56886,-6.3,-1.79,-7.056870522905878
CC[C@@H](C)C[C@@H](CC)Nc1ccccc1-c1nc(C)n[nH]1,C36997190_decoy,ADA,Decoy,0,-7.13851,-7.56,-1.77,-7.015086786136445
CC[C@@H](C)[NH2+][C@](C)(C(=O)[O-])c1ccc(OC(F)(F)F)cc1,C38066370_decoy,ADA,Decoy,0,-5.82656,-5.09,-0.68,-4.175955412980446
CCCN(CCO)C(=O)Nc1ccc(OC2CCCC2)cc1,C58088390_decoy,ADA,Decoy,0,-7.53654,-5.95,-0.6,-5.948829625297916
CCOCCCNC(=O)Nc1ccc(OC2CCCC2)cc1,C44323580_decoy,ADA,Decoy,0,-7.65079,-6.23,-0.97,-6.4088633865262725
CCOC(=O)/C=C/c1ccc(NC(=O)N[C@H](C)C(C)C)cc1,C48066364_decoy,ADA,Decoy,0,-7.33261,-7.09,-1.66,-6.205410580476407
CC(C)CCSc1nnc(N/N=C/c2cccs2)[nH]1,C21079283_decoy,ADA,Decoy,0,-8.80654,-5.0,-0.52,-5.543184893791334
CCCC/C(C)=N/Nc1nc(SC2CCCC2)n[nH]1,C59891220_decoy,ADA,Decoy,0,-9.67212,-7.12,-2.09,-9.405925218174968
CCCNc1ccc(Cl)c(COc2ccc(CO)cc2)n1,C61640511_decoy,ADA,Decoy,0,-8.74917,-6.88,-0.59,-7.146037896142295
C=CCNC(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C,C62062266_decoy,ADA,Decoy,0,-6.03159,-4.83,-0.79,-4.512765059772123
CCCNS(=O)(=O)Nc1c(CC)cccc1CC,C62122963_decoy,ADA,Decoy,0,-6.61697,-5.45,-1.65,-4.990866202176434
C=CCOc1ccccc1NCC(=O)NC1CCCCC1,C66062367_decoy,ADA,Decoy,0,-7.2884,-5.78,-0.85,-4.959334182443608
C=CCOc1ccccc1NCC(=O)Nc1c(C)cccc1C,C66062384_decoy,ADA,Decoy,0,-6.90284,-6.44,-1.47,-5.365609560400378
COc1ccc(NC(=O)NCCCOC2CCCC2)c(C)c1,C66172468_decoy,ADA,Decoy,0,-7.2167,-8.11,-0.67,-8.147893154845063
COc1ccc(NCCNc2ccccc2OC)cc1Cl,C66189135_decoy,ADA,Decoy,0,-7.48134,-7.3,-0.78,-6.780220700940245
CC[C@H](C)Oc1ccc(N[C@@H](C)C(=O)NC(C)(C)C)cc1,C66390915_decoy,ADA,Decoy,0,-6.80176,-5.79,-0.57,-5.17464058067381
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCC(C)(C)C,C67162908_decoy,ADA,Decoy,0,-6.07286,-5.36,-0.97,-4.804514168349977
CC(C)NC(=S)Nc1ccn(Cc2ccc(F)cc2)n1,C13748201_decoy,ADA,Decoy,0,-7.2173,-7.58,-0.99,-7.23324985914404
CC[C@@H](C)NC(=O)CNc1cc(C)c(Cl)cc1OC,C20041680_decoy,ADA,Decoy,0,-7.26649,-5.88,-1.96,-5.561838510331243
CCCNC(=O)CNc1cc(C)c(Cl)cc1OC,C20041721_decoy,ADA,Decoy,0,-6.86412,-5.74,-1.49,-5.144474928628073
COCCNC(=O)[C@@H](C)Nc1ccc(Cl)cc1Cl,C20313758_decoy,ADA,Decoy,0,-7.1344,-5.59,-1.92,-5.2410549111138
C[C@@H](CC(=O)NCC1CC1)NC(=O)c1ccccc1,C25574677_decoy,ADA,Decoy,0,-5.38268,-5.56,-0.8,-4.353916525724064
CCNS(=O)(=O)c1ccccc1N[C@@H](C)C(C)C,C35062552_decoy,ADA,Decoy,0,-6.79893,-5.07,-2.26,-4.625488614557193
CCNS(=O)(=O)c1ccccc1N[C@H](C)CC,C35353574_decoy,ADA,Decoy,0,-5.77436,-5.17,-1.84,-4.434917963050334
CC(=O)Nc1ccc(N[C@H](C)CCc2ccco2)cc1,C35450540_decoy,ADA,Decoy,0,-6.28783,-7.51,-1.4,-7.868904661108607
CC[C@@H](C)c1cc(S(N)(=O)=O)ccc1OCC(C)C,C36948739_decoy,ADA,Decoy,0,-8.25127,-7.14,-1.55,-8.115584206037695
CC[C@H](C)[C@H](C)Nc1ccc(S(=O)(=O)NC)cc1,C37131506_decoy,ADA,Decoy,0,-6.72211,-6.81,-0.41,-6.928171750585472
CC[C@@H](C)[C@H](C)Nc1ccccc1NS(C)(=O)=O,C37135049_decoy,ADA,Decoy,0,-7.03788,-5.64,-0.31,-5.122233009826649
CNS(=O)(=O)c1ccccc1NC(C1CC1)C1CC1,C37158639_decoy,ADA,Decoy,0,-6.64476,-6.13,-0.55,-6.661568541321051
CNS(=O)(=O)c1ccc(C)c(N[C@H](C)CC(C)C)c1,C37168031_decoy,ADA,Decoy,0,-7.25914,-6.3,-1.82,-6.250543355876615
CC[C@H](Nc1cccc(NS(C)(=O)=O)c1)C(C)C,C37241336_decoy,ADA,Decoy,0,-7.33742,-6.19,-1.51,-5.953265639117197
CC[C@@H](Nc1ccc(C)c(S(=O)(=O)NC)c1)C(C)C,C37298017_decoy,ADA,Decoy,0,-7.23302,-6.86,-0.6,-6.729385202606812
CC[C@@H](Nc1ccc(S(=O)(=O)NC)cc1)C(C)C,C37316720_decoy,ADA,Decoy,0,-7.60819,-6.85,-0.39,-7.149035487726101
CC[C@H](Nc1cc(S(=O)(=O)NC)ccc1C)C(C)C,C37321926_decoy,ADA,Decoy,0,-7.60801,-6.73,-1.35,-6.649061098013475
C[C@H](Nc1ccc(OCC(F)(F)F)cc1)c1cc[nH]n1,C37907459_decoy,ADA,Decoy,0,-4.60747,-6.38,-0.12,-5.10597169826008
CCOc1ccccc1[C@](C)([NH2+]C1CCCCC1)C(=O)[O-],C37971628_decoy,ADA,Decoy,0,-5.30342,-5.7,-1.06,-4.149337464073652
CCOc1ccccc1[C@@H]([NH2+]C1CCCCCC1)C(=O)[O-],C37972473_decoy,ADA,Decoy,0,-7.07668,-7.79,-0.73,-7.748423840338356
CNS(=O)(=O)c1ccc(N[C@@H](C)CC(C)C)cc1,C35062176_decoy,ADA,Decoy,0,-7.14248,-7.39,-1.17,-12.23958728575752
COc1cccc([C@@](C)([NH2+][C@@H](C)C(C)C)C(=O)[O-])c1,C41729009_decoy,ADA,Decoy,0,-6.8433,-5.22,-0.8,-4.747222298433464
CC[C@]([NH2+][C@H](C)c1ccc(C)o1)(C(=O)[O-])c1ccccc1,C41812976_decoy,ADA,Decoy,0,-6.50926,-7.32,-1.0,-8.067165524031449
CCCNC(=O)CNC(=O)/C=C/c1ccc(C)cc1C,C41821298_decoy,ADA,Decoy,0,-6.87868,-7.31,-0.62,-10.405077778074684
COc1ccccc1[C@H](C)NC(=O)NCCC(C)(C)C,C42341221_decoy,ADA,Decoy,0,-6.65536,-5.45,-1.35,-4.649638551536826
COc1cccc([C@](C)([NH2+]C[C@@H]2CC=CCC2)C(=O)[O-])c1,C45651948_decoy,ADA,Decoy,0,-7.57643,-7.07,-1.16,-9.461493252670309
CC(C)Oc1ccc(CNC(=O)NC[C@@H]2C[C@H]2C)cc1,C48569048_decoy,ADA,Decoy,0,-7.06892,-6.31,-0.55,-5.419981993436646
COC[C@H](C)CNC(=O)Nc1ccc(C(C)(C)C)cc1,C49177653_decoy,ADA,Decoy,0,-7.38701,-6.03,-0.56,-5.739576781245236
C/C=C/C=C/CC[C@@H](O)Cc1cc(O)c(C)c(=O)o1,C49180585_decoy,ADA,Decoy,0,-7.93452,-6.84,-1.08,-6.723734042805644
C[C@@H]1C[C@H]1CNC(=O)N[C@@H](C)CN(C)c1ccccc1,C49445966_decoy,ADA,Decoy,0,-6.71336,-7.59,-0.72,-7.09897156209498
CCC[C@H](Nc1ccc(C(=O)[O-])c[nH+]1)c1cccs1,C49548094_decoy,ADA,Decoy,0,-8.592,-6.7,-0.78,-8.914583534223075
CC[C@]([NH2+][C@@H]1CCC[C@@H]1OC)(C(=O)[O-])c1ccc(C)cc1,C50377663_decoy,ADA,Decoy,0,-7.02825,-4.81,-1.09,-4.435550505430857
CCc1ccc(CNc2ccc(C(=O)NC(C)C)cc2)o1,C51724447_decoy,ADA,Decoy,0,-7.15476,-7.59,-0.67,-11.313813258426691
CC[C@H](Nc1ccc(C(=O)NC2CC2)cc1)c1ccco1,C54084721_decoy,ADA,Decoy,0,-6.53673,-6.4,-0.4,-5.62054237324251
CC[C@H](Nc1ccc(C(=O)NC(C)C)cc1)c1ccco1,C54106181_decoy,ADA,Decoy,0,-6.36312,-6.28,-0.36,-6.044770165597646
CCC(=O)NCC(=O)N[C@@H](c1cccs1)C1CCCC1,C57309582_decoy,ADA,Decoy,0,-8.25219,-5.37,-0.92,-5.640578695302668
Cc1ccc(C)c([C@](C)(NCC(C)(C)[NH+](C)C)C(=O)[O-])c1,C43412991_decoy,ADA,Decoy,0,-7.13751,-7.2,-0.74,-6.566877195329297
C[NH+](C)CC(C)(C)CNc1ccc(C(=O)[O-])cc1,C50912950_decoy,ADA,Decoy,0,-6.71509,-6.56,-0.39,-5.920395650268146
CC[C@H](C)NC(=O)[C@H](C)Nc1ccc(N2CCCC2)cc1,C60533320_decoy,ADA,Decoy,0,-7.289,-6.08,-0.59,-5.581584654480202
CC(C)[C@@H](C[NH+](C)C)Nc1ccc(C(=O)[O-])c(Cl)c1,C61847966_decoy,ADA,Decoy,0,-7.55856,-6.48,-1.82,-6.136862122693065
CCCNc1cc(-c2ccccc2OCC)n[nH]1,C62668214_decoy,ADA,Decoy,0,-5.91206,-6.35,-1.48,-5.166362861356296
O=C([O-])COc1ccccc1C[NH2+]C1CCCCCC1,C62716843_decoy,ADA,Decoy,0,-7.6366,-7.76,-0.39,-7.788253367613218
CC(C)NC(=O)c1ccc(N[C@H](C)Cc2ccco2)cc1,C62771806_decoy,ADA,Decoy,0,-6.68295,-7.71,-0.67,-6.8604582566373935
C[NH+](C)CC(C)(C)CNc1cc(Cl)ccc1C(=O)[O-],C62787308_decoy,ADA,Decoy,0,-5.94769,-6.15,-0.64,-5.538868876346813
C[C@H](CC[NH+](C)C)Nc1cc(Cl)ccc1C(=O)[O-],C62787471_decoy,ADA,Decoy,0,-6.39118,-6.25,-0.08,-5.6812155692000434
CC1CCC(CNC(=O)CNC(=O)CC(C)(C)C)CC1,C65691109_decoy,ADA,Decoy,0,-7.13757,-7.6,-2.62,-9.255210362214266
Cc1ccccc1C(=O)N[C@@H](C(=O)NCC(C)C)C(C)C,C45969626_decoy,ADA,Decoy,0,-6.47697,-6.06,-1.32,-5.179326956470811
O=C(CCC1CCCC1)NNC(=O)CC1CCCCC1,C66571763_decoy,ADA,Decoy,0,-7.62971,-8.25,-0.8,-8.154105490346026
CC(C)(C)CN(CCO)C(=O)NCC1(C)CCCC1,C66704866_decoy,ADA,Decoy,0,-7.51889,-4.76,-1.36,-5.095213830708075
Cc1ccc([C@@H](C)NC(=O)NCCSC(C)(C)C)o1,C67086731_decoy,ADA,Decoy,0,-7.04895,-5.39,-0.31,-5.520655011483139
Cc1ccc(S(=O)(=O)NCc2ccc(C[NH3+])o2)cc1,C04993573_decoy,ADA,Decoy,0,-8.29998,-5.82,-0.34,-5.254748627541932
Oc1cccc(/C=N/NC(=S)N[C@@H]2C[NH+]3CCC2CC3)c1,C01657189_decoy,ADA,Decoy,0,-8.70177,-6.54,-0.72,-6.169306955384529
Nc1ccc(C(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1,C08346065_decoy,ADA,Decoy,0,-7.36687,-6.35,-0.92,-5.358224978488356
COc1ccc2[nH]c(-c3ccc(OC)c(OC)c3)c(C[NH3+])c2c1,C19724726_decoy,ADA,Decoy,0,-8.81078,-6.1,-0.94,-5.666334925666357
Cc1ccc([C@H](C)[NH2+]Cc2ccc(S(N)(=O)=O)cc2)o1,C19910260_decoy,ADA,Decoy,0,-8.29882,-7.16,-0.3,-7.205954091792255
Cc1cs/c(=N\S(=O)(=O)c2ccc(CCC[NH3+])cc2)[nH]1,C20269730_decoy,ADA,Decoy,0,-8.13185,-6.74,0.14,-6.795765744883495
C[C@H]([NH2+]CC(=O)NC1CC1)C(=O)NC1CCCCC1,C35140790_decoy,ADA,Decoy,0,-6.89014,-5.28,-0.62,-4.6978439820193545
CCNS(=O)(=O)c1ccccc1NC1CC[NH2+]CC1,C35353566_decoy,ADA,Decoy,0,-7.19467,-6.39,-0.53,-7.883987540284001
CCC[NH2+][C@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCO1,C35581414_decoy,ADA,Decoy,0,-7.1561,-5.97,-1.77,-5.158240636657724
[NH3+][C@H]1C[C@H]1NS(=O)(=O)c1ccccc1OC(F)(F)F,C36264508_decoy,ADA,Decoy,0,-7.35437,-6.32,-1.3,-5.83560415747186
[NH3+][C@@H]1C[C@@H]1NS(=O)(=O)c1cccc(OC(F)(F)F)c1,C36264600_decoy,ADA,Decoy,0,-7.12769,-7.35,-1.17,-7.269769773515372
Cc1cc(S(=O)(=O)N[C@H]2C[C@@H]2[NH3+])ccc1OC(C)C,C36264909_decoy,ADA,Decoy,0,-7.57731,-6.72,-0.79,-6.16166585987943
CCN(CC)S(=O)(=O)NCC1([NH3+])CCCCC1,C36266682_decoy,ADA,Decoy,0,-7.97885,-4.83,-0.24,-5.069376028074086
O=C(Nc1ccc(OCC(F)(F)F)cc1)[C@H]1C[C@@H](O)C[NH2+]1,C37018656_decoy,ADA,Decoy,0,-6.86501,-6.02,-0.46,-5.223151511842002
CCCOc1nc(N[C@@H]2C[NH+]3CCC2CC3)ccc1N,C37067017_decoy,ADA,Decoy,0,-7.26269,-7.06,-0.14,-6.86903909080131
CC[NH+]1CCC([C@H](C)Nc2ccc(S(N)(=O)=O)cc2)CC1,C37209669_decoy,ADA,Decoy,0,-8.60512,-7.43,-0.65,-6.367882726092138
CO[C@H]1CCCC[C@@H]1[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1,C37278084_decoy,ADA,Decoy,0,-9.72205,-7.73,-1.69,-7.511563765927078
CC[C@@H](C/C(N)=N/O)[NH+]1CCN(c2cccc(Cl)c2)CC1,C36678092_decoy,ADA,Decoy,0,-9.79546,-7.93,-0.87,-10.373078816412397
CC[NH+]1CC[C@H](CNS(=O)(=O)c2cc(C)cc(N)c2)C1,C37643625_decoy,ADA,Decoy,0,-8.02265,-6.45,-1.2,-7.046327708627976
NS(=O)(=O)c1ccc(NC[C@H]2CC[NH+](C3CC3)C2)cc1,C37649710_decoy,ADA,Decoy,0,-8.86891,-7.7,-1.02,-6.921428680070752
CC[C@H](C/C(N)=N/O)[NH+]1CCN(c2ccccc2F)CC1,C37746615_decoy,ADA,Decoy,0,-8.92002,-8.05,-0.39,-8.498136465113241
CC[NH+]1CC[C@H](CNS(=O)(=O)c2cc(F)ccc2N)C1,C37929879_decoy,ADA,Decoy,0,-8.00582,-7.36,-1.01,-7.298195094648035
CC(C)OC(=O)c1ccc(NC(=O)C(C)(C)[NH3+])cc1,C40921527_decoy,ADA,Decoy,0,-7.32172,-7.06,-0.39,-5.840385504501746
CNC(=O)[C@H](CC(C)C)NC(=O)C[C@H]1CCC[NH2+]1,C42166348_decoy,ADA,Decoy,0,-6.65746,-7.17,-0.62,-9.340856146383684
CCNC(=O)NC(=O)[C@@H](C)[NH2+]C[C@H]1CCCC[C@@H]1C,C42862118_decoy,ADA,Decoy,0,-7.37906,-7.36,-0.95,-8.032949334431452
CCNS(=O)(=O)c1ccccc1N[C@H]1CCC[NH2+]C1,C43326422_decoy,ADA,Decoy,0,-7.84153,-6.58,-0.84,-7.194790816036421
N/C(CCCC[NH+]1CCO[C@@H]2CCCC[C@H]21)=N/O,C43425629_decoy,ADA,Decoy,0,-8.9421,-7.44,-0.91,-7.63333095789253
N/C(CCCC[NH+]1CCO[C@@H]2CCCC[C@@H]21)=N/O,C43425631_decoy,ADA,Decoy,0,-9.63994,-7.34,-1.22,-7.760714683475327
COc1nc(NC[C@@H](C)[NH+]2CCCCC2)ccc1N,C44989065_decoy,ADA,Decoy,0,-7.53171,-6.44,-0.68,-5.767633797636912
NS(=O)(=O)CCCNc1cc[nH+]c2cc(Cl)ccc12,C45084473_decoy,ADA,Decoy,0,-10.2103,-7.49,-0.87,-8.176336623521433
CCNC(=O)NC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1CC,C49119824_decoy,ADA,Decoy,0,-7.2488,-7.11,-0.65,-7.757228561058208
Nc1ccccc1OCCC(=O)N[C@@H]1CC[NH+]2CCC[C@H]12,C49562941_decoy,ADA,Decoy,0,-6.76807,-7.19,-0.1,-7.008242430875729
CN1CCc2cc([C@H](C[NH3+])NC(=O)OC(C)(C)C)ccc21,C50285869_decoy,ADA,Decoy,0,-9.36252,-7.78,-1.09,-11.167031193628508
C[NH2+][C@H](C)c1ccc(NC(=O)N[C@@H]2CCC[C@@H]2OC)cc1,C50377512_decoy,ADA,Decoy,0,-7.38478,-6.86,-1.21,-6.036269395765783
CCC[NH2+][C@@H](c1ccc2[nH]c(=O)[nH]c2c1)[C@H]1CCCCO1,C50962522_decoy,ADA,Decoy,0,-7.3713,-8.0,0.08,-6.97666207077458
CC(C)[C@H](C)[NH+](C)Cc1nc(NN)c2ccsc2n1,C51144397_decoy,ADA,Decoy,0,-10.0199,-6.87,-1.08,-8.561802440371668
C[NH2+][C@H](C)c1ccc(S(=O)(=O)N[C@@H]2CCCC[C@@H]2O)cc1,C52010843_decoy,ADA,Decoy,0,-8.56147,-6.13,-0.54,-5.600887472101439
C[NH+]1CCC[C@@H](CNc2ccc(CS(N)(=O)=O)cc2)C1,C54242533_decoy,ADA,Decoy,0,-8.71071,-6.48,-0.98,-6.174449167344662
CC[C@H](CC(N)=[NH2+])Sc1nnc2n1CCCCC2,C36681356_decoy,ADA,Decoy,0,-7.14475,-6.46,-0.58,-7.192828723353276
COc1ccccc1[C@@H](C[NH3+])Nc1ccc2c(c1)OCO2,C57596723_decoy,ADA,Decoy,0,-8.19274,-7.05,-0.75,-7.439447876653276
N[C@H](Cc1c[nH]c[nH+]1)C(=O)OCC1CCCCC1,C52145312_decoy,ADA,Decoy,0,-11.357,-6.93,-0.3,-10.170070807176243
CC[C@@H]([NH3+])[C@H](Sc1n[nH]c(=O)n1CC)C(C)(C)C,C61594303_decoy,ADA,Decoy,0,-7.11481,-6.17,-0.51,-6.528357510049586
Cc1ccc([C@@H](Sc2n[nH]c(=O)n2C(C)C)[C@@H](C)[NH3+])cc1,C61595056_decoy,ADA,Decoy,0,-7.42445,-7.96,0.27,-7.272791909263578
CC[C@@H]([NH2+]CCc1ccc2c(c1)OCCO2)C(N)=O,C61676413_decoy,ADA,Decoy,0,-6.93244,-7.34,-1.56,-6.248767989526994
Cc1ccc([N+](=O)[O-])cc1NCc1ccccc1C[NH3+],C61841511_decoy,ADA,Decoy,0,-6.16483,-6.36,-0.47,-5.108698682415359
NC(=O)COc1ccc(N[C@H]2CC[NH+](C3CC3)C2)cc1,C61981628_decoy,ADA,Decoy,0,-8.27938,-6.14,-0.56,-5.937510998574959
C[C@@H]1CCC[C@@](CO)([NH2+]CC(=O)NC2CCOCC2)C1,C62768871_decoy,ADA,Decoy,0,-7.96986,-5.4,-0.7,-5.282996821076726
[NH3+]CCc1cc(=O)[nH]c(-c2cccc(OC(F)(F)F)c2)n1,C23506274_decoy,ADA,Decoy,0,-6.05187,-6.78,-0.79,-6.165915944524308
CC(C)c1ccc(C(=O)N[C@@H]2CCC[NH+](CC(N)=O)C2)cc1,C66450109_decoy,ADA,Decoy,0,-8.42763,-8.3,-0.63,-8.07914730452124
O=C(NCC[NH2+]Cc1cc[nH]n1)C1CCCCC1,C66990679_decoy,ADA,Decoy,0,-6.60502,-6.89,-1.41,-6.934363616961887
CC(C)[NH+]1CC=C(NNc2ccc(C(=O)[O-])cc2)CC1,C03225280_decoy,ADA,Decoy,0,-7.1202,-5.52,-0.5,-5.344114889959961
CN(CC#N)c1ccc(/C=N/NC(N)=S)cc1,C05586506_decoy,ADA,Decoy,0,-10.9276,-6.67,-0.59,-8.108170062506098
Nc1ccc(C(=O)OCC(=O)NC2CCCC2)cc1,C05709487_decoy,ADA,Decoy,0,-6.3934,-6.23,-0.46,-5.375935378767696
CCC(=O)NC(=S)NNC(=O)c1cccc(Cl)c1,C06395983_decoy,ADA,Decoy,0,-7.70701,-6.96,-0.67,-9.895410754806004
CSCc1ccc(C(=O)Nc2ccc(C(N)=O)cc2)o1,C09515138_decoy,ADA,Decoy,0,-6.80335,-6.87,-0.39,-6.905443180598187
C[C@@H](C/C(N)=N/O)n1nc(C(F)(F)F)cc1C1CC1,C12395520_decoy,ADA,Decoy,0,-6.63173,-7.36,-3.52,-8.100096137273571
C=CCC/C(C)=N\NC(=O)c1cc(O)cc(O)c1,C04964121_decoy,ADA,Decoy,0,-6.89903,-7.25,-0.7,-9.714715007610517
N/C(Cc1ccc(OC[C@@H]2CCCO2)cc1)=N\O,C19479553_decoy,ADA,Decoy,0,-9.04416,-7.78,-0.38,-8.14168592095312
CCN(CC)S(=O)(=O)Nc1cccc(N)c1C,C20254628_decoy,ADA,Decoy,0,-6.90902,-6.45,-1.29,-7.460861535597491
CCN(CC)S(=O)(=O)Nc1ccc(N)cc1Cl,C20254692_decoy,ADA,Decoy,0,-6.86485,-6.2,-0.48,-9.409544952001848
C=CCNC(=O)[C@H](C)Nc1ccc2c(c1)CCC(=O)N2,C27018795_decoy,ADA,Decoy,0,-7.09901,-6.62,-1.18,-5.594809652410363
C=CCNC(=O)Nc1ccc(NC(=O)C2CC2)cc1,C29201945_decoy,ADA,Decoy,0,-6.35807,-6.71,-0.54,-5.448322974123957
Cc1cc(C)c(S(=O)(=O)NCCON)c(C)c1,C32110679_decoy,ADA,Decoy,0,-8.46108,-7.36,-1.57,-8.179595979865198
Cc1ccccc1S(=O)(=O)NC(C)(C)CON,C32110703_decoy,ADA,Decoy,0,-8.42479,-6.29,-1.54,-7.283891578325296
Cc1cc(S(=O)(=O)NC(C)(C)CON)ccc1F,C32122371_decoy,ADA,Decoy,0,-8.97615,-7.72,-0.64,-8.072052062485719
Cc1cc(S(=O)(=O)N[C@H](C)CON)ccc1Cl,C32125719_decoy,ADA,Decoy,0,-9.53769,-6.86,-1.35,-8.85272245025966
C[C@H](CN1CCOCC1)N[C@@H](C)c1ccc(O)cc1O,C36933178_decoy,ADA,Decoy,0,-6.8966,-5.13,-0.64,-4.195467516530822
COc1cc(C)c(NCc2ccc(O)c(O)c2)cc1OC,C37056790_decoy,ADA,Decoy,0,-8.03316,-8.15,-1.42,-8.69498047570752
CC(C)(C)Oc1nc(NCc2ccncc2)ccc1N,C37067109_decoy,ADA,Decoy,0,-5.40065,-6.82,-0.43,-5.292001843302084
CCCn1cc(NCc2ccc(O)c(O)c2)ccc1=O,C37774643_decoy,ADA,Decoy,0,-8.30817,-7.51,-0.57,-8.93033960015924
COc1cc(N)c(C(=O)N[C@@H](C)C(C)C)cc1OC,C20522391_decoy,ADA,Decoy,0,-6.2566,-6.42,-0.3,-6.736493272393351
Nc1ccc(F)cc1S(=O)(=O)NCCc1ccco1,C40347536_decoy,ADA,Decoy,0,-6.46207,-5.94,-0.97,-5.2472904454687335
N/C(CCN(C(=O)C1CCC1)c1ccccc1)=N/O,C40369198_decoy,ADA,Decoy,0,-8.56725,-7.04,0.19,-7.598114116884445
CC(C)C[C@H](CO)NC(=O)[C@@H]1CNc2ccccc2O1,C40780048_decoy,ADA,Decoy,0,-7.12011,-8.05,-0.47,-7.822509628760581
C[C@@H](OC(=O)c1cc(Cl)ccc1N)C(=O)NC1CC1,C41063085_decoy,ADA,Decoy,0,-6.70006,-5.6,-1.09,-5.099298925915053
CNC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccc(C)c(C)c1,C41793785_decoy,ADA,Decoy,0,-6.88724,-7.7,-0.58,-8.389489157113365
NC(=O)[C@H]1CCCC[NH+]1Cc1ccccc1/C=C/C(=O)[O-],C42406348_decoy,ADA,Decoy,0,-6.67216,-7.62,-0.04,-7.11522469967204
CCCO[C@H]1CCCN(c2ccc(/C(N)=N/O)cc2)C1,C42422506_decoy,ADA,Decoy,0,-8.25495,-6.31,-0.06,-6.7041154078691285
CC(C)N(C)S(=O)(=O)Nc1ccc(C(N)=S)cc1,C42520430_decoy,ADA,Decoy,0,-8.3516,-5.11,-0.88,-5.342966099667861
O=C(NCCNC(=O)C1CC1)Nc1cc(F)ccc1F,C43236532_decoy,ADA,Decoy,0,-5.7306,-5.74,-0.58,-4.458472318594005
COC(=O)[C@@H](C)Nc1nc2c(cc1C(N)=S)CCC2,C43408891_decoy,ADA,Decoy,0,-7.71471,-6.57,0.07,-7.246067286982061
CC(C)[C@@H](C(=O)N(C)CC(F)(F)F)/C(N)=N/O,C44870571_decoy,ADA,Decoy,0,-5.42311,-6.92,-0.51,-6.285819074019489
CCC[C@H](C(=O)N(C)[C@H]1CCC[C@H](C)C1)/C(N)=N/O,C44874014_decoy,ADA,Decoy,0,-8.26083,-7.61,-0.51,-7.661494939139427
C[C@@H](NC(=O)CNC(=O)NC1CC1)c1ccccc1,C44994582_decoy,ADA,Decoy,0,-6.1901,-6.97,-1.77,-6.323305783619541
C[C@@H]1CCCC[C@H]1NC(=O)NCCNC(=O)C1CC1,C47679259_decoy,ADA,Decoy,0,-6.74745,-5.73,-0.86,-5.2903055224385405
CC(C)(C)C(=O)NCC(=O)NNc1ccc(F)cc1,C48720476_decoy,ADA,Decoy,0,-5.82273,-7.81,-1.14,-7.17866191558728
CC(C)NC(=O)CNC(=O)N[C@@H]1C[C@@H]1c1ccccc1,C49053693_decoy,ADA,Decoy,0,-7.02845,-5.54,-0.78,-4.937105067290931
Cc1ccccc1SCC(=O)NNC(=O)NC1CC1,C49144506_decoy,ADA,Decoy,0,-7.74434,-8.16,-0.17,-8.984383893840345
CCCNC(=O)NNC(=O)/C=C/c1ccc(C)s1,C49298439_decoy,ADA,Decoy,0,-6.95619,-7.38,0.34,-7.687840785128973
CC(C)CNC(=O)NNC(=O)c1sccc1C1CC1,C49378066_decoy,ADA,Decoy,0,-7.70302,-5.03,-0.51,-5.304990074659156
N/C(Cc1ccc(OC[C@H]2CCOC2)cc1)=N\O,C49688723_decoy,ADA,Decoy,0,-8.67338,-7.76,0.17,-7.107908109594186
CCc1ccc([C@](C)([NH2+][C@H]2CCCNC2=O)C(=O)[O-])cc1,C50393475_decoy,ADA,Decoy,0,-7.53851,-7.86,-0.99,-6.795774304813245
COc1ccccc1SCc1c(C)nn(C)c1NN,C51151135_decoy,ADA,Decoy,0,-9.00189,-7.04,-0.52,-7.754974416137334
CC[C@@H]1CN([C@@H](C/C(N)=N/O)c2ccccc2)CCO1,C55020998_decoy,ADA,Decoy,0,-9.87895,-7.44,-0.6,-10.990321518681228
CCCc1nc(S[C@@H](C)C[NH3+])nc([O-])c1C#N,C57845840_decoy,ADA,Decoy,0,-8.55896,-5.83,-0.28,-9.616366890175495
CCC1(CC)Oc2ccc(N)cc2N(CCCO)C1=O,C58005155_decoy,ADA,Decoy,0,-6.97321,-5.77,-0.29,-5.478095345673941
CCN(CCO)C(=O)c1sc(N)nc1-c1ccccc1,C31972517_decoy,ADA,Decoy,0,-8.53766,-6.61,-0.39,-8.176909097838042
O=C(CC1CCCC1)NNC(=O)NCC(F)(F)F,C60411649_decoy,ADA,Decoy,0,-5.23517,-7.23,-0.61,-6.381725049395507
CC(C)(C)n1ccnc(NCCc2ccc(N)cc2)c1=O,C61768890_decoy,ADA,Decoy,0,-7.74132,-7.64,-1.43,-6.732825612849247
CC(C)[C@@H](C)NC(=O)NNC(=O)CC1CCCCC1,C67041052_decoy,ADA,Decoy,0,-7.03872,-7.4,-1.48,-7.664970076737373
CC[C@H](C)C[C@H](CC)[NH2+]CC(=O)OC,C19885704_decoy,ADA,Decoy,0,-5.79104,-5.19,0.01,-5.378257345256087
CC[NH+](CC)CCNc1ccccc1C#N,C20076170_decoy,ADA,Decoy,0,-6.97284,-5.02,-1.2,-4.723314833439762
COCCOCCC[NH2+][C@H]1CCCC[C@@H]1C,C20191764_decoy,ADA,Decoy,0,-6.24127,-5.53,-0.67,-5.926416935279078
CCC(CC)[NH2+]CC(=O)OC(C)(C)C,C37394102_decoy,ADA,Decoy,0,-5.48978,-3.98,0.13,-3.72170088268459
CC[C@@H](C)C[C@@](C#N)(CC)NCC[NH+](C)C,C37940656_decoy,ADA,Decoy,0,-7.64465,-5.79,-2.81,-6.251169873094599
CC(C)CC[C@](C)(C#N)NCC[NH+](C)C,C37940799_decoy,ADA,Decoy,0,-7.27088,-5.73,-0.71,-6.971896003534767
CC(C)OC(=O)C[NH2+]C[C@@H]1CCCC[C@@H]1C,C43446555_decoy,ADA,Decoy,0,-6.71745,-6.36,-1.52,-7.43152772209554
CCC[NH2+][C@@H](CN1CCCC1=O)C(C)(C)C,C43986144_decoy,ADA,Decoy,0,-6.22193,-5.14,-0.27,-6.327283225587098
CC[NH2+][C@@H]1CC[C@H](CC)C[C@H]1OCCOC,C44059689_decoy,ADA,Decoy,0,-6.477,-4.86,-0.76,-5.580610889222746
CCC[NH2+][C@@H]1CCCC[C@H]1OCCOCC,C44060160_decoy,ADA,Decoy,0,-6.41368,-4.82,-0.69,-4.988793199725582
CCC(CC)C[NH2+]Cc1cc(C)on1,C44692217_decoy,ADA,Decoy,0,-5.54848,-4.85,-0.47,-4.870088574852463
CCN[C@](C)(C#N)C[NH+](C)[C@@H](C)C(C)(C)C,C45176895_decoy,ADA,Decoy,0,-5.73159,-6.18,-1.3,-5.632300581265115
CCCN[C@@H](C#N)C[NH+](C)C1CCCCC1,C45307736_decoy,ADA,Decoy,0,-7.852,-6.59,-1.51,-7.242669897402514
CCN[C@](C)(C#N)CCC[NH+](C)[C@H](C)CC,C45308713_decoy,ADA,Decoy,0,-7.20574,-6.01,-1.11,-6.809753486241247
CCCN[C@H](C#N)C[NH+](CC)C1CCCC1,C45310583_decoy,ADA,Decoy,0,-7.54652,-6.08,-0.81,-8.078966960703292
CCCN[C@H](C#N)C[NH+](C)CC(C)(C)C,C45318000_decoy,ADA,Decoy,0,-7.04895,-5.58,-0.88,-6.557403293458727
CC(C)C[C@H](C)[NH+](C)C[C@@H](C#N)NC(C)C,C45318674_decoy,ADA,Decoy,0,-7.21901,-6.02,-0.87,-7.280096399553212
CCC[C@H](CN1CCOC[C@@H]1CC)[NH2+]CC,C50185010_decoy,ADA,Decoy,0,-6.4337,-5.32,-0.56,-5.50273376001444
CO[C@H]1CCC[C@H]1[NH2+][C@H](C)CC(C)(C)OC,C50370139_decoy,ADA,Decoy,0,-5.69705,-5.16,-2.1,-4.363406538740217
CCC[C@H](CC)[NH2+]CCN1CCOCC1,C50404693_decoy,ADA,Decoy,0,-6.09716,-4.54,-1.22,-4.468084768804308
C=CC[NH2+][C@H](C(=O)OC)C(CC)CC,C51961611_decoy,ADA,Decoy,0,-5.60859,-5.15,-2.54,-5.655130028103927
C=C[C@H](C)[NH2+][C@H](CC(C)C)C(=O)OC,C52143714_decoy,ADA,Decoy,0,-5.90273,-4.61,-0.21,-4.139681229316663
CCC[NH2+]Cc1ccc(COC2CCC2)o1,C52595381_decoy,ADA,Decoy,0,-6.14273,-6.37,-0.83,-6.232349172385381
CC(C)[NH2+]C[C@H](OCc1ccco1)C(C)C,C52601734_decoy,ADA,Decoy,0,-5.89836,-5.13,-1.65,-4.767725818365097
CCOCc1ccc(C[NH2+]C(C)(C)C)o1,C52602756_decoy,ADA,Decoy,0,-5.56049,-4.12,-1.16,-3.605583042814133
C[C@H](C[NH2+]C(C)(C)C)OC[C@H]1CCCCO1,C52604653_decoy,ADA,Decoy,0,-6.10355,-4.52,-0.78,-3.8935004565326654
CC(C)OC[C@@H]1CC[C@H](C[NH2+]C(C)(C)C)O1,C52626903_decoy,ADA,Decoy,0,-6.07194,-5.89,-1.1,-6.04485660620781
CC(C)[NH2+]C[C@H]1CC[C@@H](COC(C)(C)C)O1,C52629759_decoy,ADA,Decoy,0,-5.91226,-5.85,-0.65,-5.3664338806299705
CC(C)[NH2+]C[C@H](OC[C@H]1CCOC1)C(C)C,C52703794_decoy,ADA,Decoy,0,-6.23475,-5.55,-0.78,-5.841135824076861
COCCCOCC[NH2+][C@@H]1CCCC[C@@H]1C,C53542701_decoy,ADA,Decoy,0,-6.10156,-4.56,-0.97,-4.25715774999495
CCOCCOCC[NH2+][C@@H]1CCCC[C@@H]1C,C53550505_decoy,ADA,Decoy,0,-5.73717,-4.56,-0.58,-4.266318576060359
COC[C@H](C)[NH2+]CCO[C@H]1CCC[C@H](C)C1,C53569072_decoy,ADA,Decoy,0,-6.82366,-5.82,-1.18,-6.003300982777006
CC(C)[C@H](C)[NH2+]CCOCC1CCOCC1,C53590529_decoy,ADA,Decoy,0,-6.24574,-5.93,-0.75,-5.513642463276775
CCC(C)(C)[NH2+]C[C@@H](C)OC[C@@H]1CCOC1,C53591513_decoy,ADA,Decoy,0,-6.23495,-4.82,-0.38,-4.705613488211119
COCC[NH2+]C[C@@H](C[C@@H]1CCCO1)C(C)C,C54663349_decoy,ADA,Decoy,0,-6.74851,-5.63,-0.54,-6.714358190956026
CCC[NH2+]Cc1cnc(N(C)CCC)s1,C54902289_decoy,ADA,Decoy,0,-6.51022,-5.42,-1.72,-5.28017380378608
CC(C)CNC(=O)C[NH+](C)[C@H](C)CC(C)C,C45769817_decoy,ADA,Decoy,0,-6.08451,-4.39,-1.0,-4.099595695032983
CC[NH2+]Cc1ccoc1COC1CCCC1,C52600601_decoy,ADA,Decoy,0,-5.92655,-6.1,-0.23,-6.9450292394682185
C[NH2+]Cc1ccoc1CO[C@@H](C)CC(C)C,C52603278_decoy,ADA,Decoy,0,-6.04983,-5.55,-1.23,-5.441800782186459
CC(C)C[NH2+]Cc1ccoc1COC(C)C,C52626664_decoy,ADA,Decoy,0,-5.93956,-4.78,-0.61,-5.105617175742351
CC[NH2+][C@H](C)CC(=O)O[C@H]1CCCC[C@@H]1C,C61212661_decoy,ADA,Decoy,0,-6.22571,-5.15,-0.85,-4.402548128964993
CC[NH2+][C@@H](C)CC(=O)N(C)CC(C)C,C61269462_decoy,ADA,Decoy,0,-5.09305,-5.49,-1.01,-5.887843279039264
COC(=O)[C@H](CC(C)(C)C)[NH2+]C(C)C,C61840268_decoy,ADA,Decoy,0,-5.52645,-5.03,-0.31,-5.07332439749992
CCC(CC)[NH2+]C[C@H](C)N1CCCOCC1,C61936639_decoy,ADA,Decoy,0,-6.41562,-5.68,-0.69,-5.401114053705316
CCN[C@H](C#N)CC[NH+](C)C1CCCCC1,C62369255_decoy,ADA,Decoy,0,-7.82314,-6.57,-0.72,-6.983518363144014
CC(C)C[NH2+]CC(=O)O[C@@H]1CCC[C@H](C)C1,C62743708_decoy,ADA,Decoy,0,-6.24753,-4.87,-1.19,-4.294184415265709
CC(C)C[NH2+]CC(=O)OCC1CCCCC1,C62743720_decoy,ADA,Decoy,0,-6.60594,-5.01,-1.05,-5.623649186022656
CCCCOC(=O)[C@]1(CCC)CCC[NH2+]C1,C62870829_decoy,ADA,Decoy,0,-6.37609,-5.58,-0.31,-5.80295731555061
CCC[C@@]1(C(=O)OCC(C)C)CCC[NH2+]C1,C62871106_decoy,ADA,Decoy,0,-6.52082,-5.39,0.33,-5.233346080655238
CCCN(CC)C(=O)[C@]1(CCC)CC[NH2+]C1,C62890305_decoy,ADA,Decoy,0,-6.07193,-5.62,-0.67,-5.474140877631626
CC(C)C[C@H](C[NH2+]Cc1ccc(O)cc1O)N(C)C,C20201269_decoy,ADA,Decoy,0,-7.70243,-6.74,-2.3,-7.765722661919916
Cc1cc(C)c(OC[C@H](O)C[NH2+]C(C)(C)CO)c(C)c1,C26781281_decoy,ADA,Decoy,0,-7.6097,-6.07,-0.26,-5.402777155531536
CCC[C@H](C)C[NH2+][C@@H](C)c1ccc(S(N)(=O)=O)cc1,C36954768_decoy,ADA,Decoy,0,-8.85036,-6.67,-0.09,-7.088764781659684
NC(=O)COc1ccc(C[NH2+]CCC2CCCC2)cc1,C37493031_decoy,ADA,Decoy,0,-7.46286,-7.39,-0.43,-11.135807138104015
CC(C)N(CC[NH2+][C@@H](C)c1ccc(O)cc1O)C(C)C,C19901060_decoy,ADA,Decoy,0,-7.01204,-6.48,-0.7,-7.173967205922615
CC(C)CCNC(=O)[C@@H](C)N(C)c1ccc(C[NH3+])cc1,C34653835_decoy,ADA,Decoy,0,-7.15043,-5.95,-1.45,-5.195535060081913
COc1cc([C@H](C)[NH2+][C@@H](CO)CC(C)C)ccc1O,C40774144_decoy,ADA,Decoy,0,-7.69832,-7.54,-1.89,-8.002201451385968
CC(C)C[C@H](CO)[NH2+][C@@H](C)C(=O)NC1CCCCC1,C40778141_decoy,ADA,Decoy,0,-7.46386,-6.96,-3.12,-7.253166685173337
CCC(CC)[NH2+]CCc1ccc(S(N)(=O)=O)cc1,C42477319_decoy,ADA,Decoy,0,-8.49992,-6.24,-1.96,-7.914313039976043
Nc1ccccc1OCCC[NH+](CCO)C1CCCC1,C42483873_decoy,ADA,Decoy,0,-8.31777,-7.36,-0.46,-7.475866212382646
CC(C)C[NH+](CC/C(N)=N/O)CC1CCCCC1,C43418755_decoy,ADA,Decoy,0,-8.80827,-7.07,-0.26,-7.79327184817233
CCCC(C[NH3+])(CCC)C(=O)N[C@@H](C)c1ccc(C)o1,C44805932_decoy,ADA,Decoy,0,-6.93487,-6.08,-0.9,-7.109793534972649
CCC[NH+](CC1CC1)C[C@]([NH3+])(C(=O)[O-])c1ccccc1,C45276737_decoy,ADA,Decoy,0,-7.53388,-6.49,-2.21,-7.348560809772203
CCC[NH+](CC1CC1)C[C@@]([NH3+])(C(=O)[O-])c1ccccc1,C45276739_decoy,ADA,Decoy,0,-8.04441,-6.86,-0.2,-8.090931040470673
C[NH2+][C@@](C)(CCCCOC1CCCCCC1)C(N)=O,C45465064_decoy,ADA,Decoy,0,-7.1556,-6.83,-0.49,-7.109660923814443
C[NH2+][C@@](C)(CCCO[C@H]1C[C@@H](C)CC(C)(C)C1)C(N)=O,C45474012_decoy,ADA,Decoy,0,-8.36728,-6.25,-0.84,-7.133754787162641
CCC[NH2+][C@@](C)(CCO[C@@H]1CCCC[C@@H]1CC)C(N)=O,C45475441_decoy,ADA,Decoy,0,-8.5282,-7.34,-0.78,-11.112939020764404
CC[C@H]1CCCC[C@H]1OCC[C@](C)([NH2+]C(C)C)C(N)=O,C45475452_decoy,ADA,Decoy,0,-8.26214,-6.95,-0.87,-8.609977984453362
CC[C@@H]1CCCC[C@H]1OCCC[C@](C)([NH2+]C)C(N)=O,C45475555_decoy,ADA,Decoy,0,-7.27706,-7.08,-0.88,-8.338057179632491
CC[NH2+][C@@](C)(CCCO[C@H]1CCCC[C@@H]1CC)C(N)=O,C45475562_decoy,ADA,Decoy,0,-7.82317,-7.26,-1.43,-8.098220746281683
CC(C)[NH2+][C@@](C)(CCCO[C@H]1CCCC[C@@H]1C)C(N)=O,C45478037_decoy,ADA,Decoy,0,-8.3439,-7.41,-1.92,-7.542776603003554
CC(C)[NH2+][C@@](C)(CCCCOC1CCCCC1)C(N)=O,C45505142_decoy,ADA,Decoy,0,-8.15681,-7.47,-1.13,-8.285516007120615
CCC[NH2+][C@](C)(CCCOC1CCCCC1)C(N)=O,C45505303_decoy,ADA,Decoy,0,-8.33643,-6.8,-2.0,-7.872588156323598
CCN(CC(=O)NC(C)(C)CC)c1ccc(C[NH3+])cc1,C49281669_decoy,ADA,Decoy,0,-7.83747,-5.75,-1.91,-5.6207058797839
CCC[NH2+][C@](C)(CN(C)c1ccc(CC)cc1)C(N)=O,C49989575_decoy,ADA,Decoy,0,-7.25892,-7.39,-0.38,-7.788362499463771
CC[NH2+][C@](C)(CCN(CC)c1ccc(C)cc1)C(N)=O,C49989981_decoy,ADA,Decoy,0,-7.14697,-7.34,-1.06,-8.462972326659935
CCC[NH2+][C@](C)(CN(CC)c1ccc(F)cc1)C(N)=O,C50012923_decoy,ADA,Decoy,0,-6.13895,-6.79,-0.47,-6.559982292454536
CCCC(C[NH3+])(CCC)C(=O)N[C@H]1CCC[C@H]1OC,C50372389_decoy,ADA,Decoy,0,-7.28994,-4.52,-0.8,-4.647644430716338
CCC[C@H](CC)NS(=O)(=O)c1ccc(C[NH3+])s1,C50406688_decoy,ADA,Decoy,0,-8.3758,-5.75,-0.78,-10.75757334339656
C[NH2+][C@@](C)(CCCCOCC1CCCCC1)C(N)=O,C52170108_decoy,ADA,Decoy,0,-7.34971,-6.86,-0.75,-6.533860448303726
CCOc1cccc(C[NH2+]C(CC)(CC)CO)c1O,C53047076_decoy,ADA,Decoy,0,-6.74831,-5.66,-0.63,-5.690467997589352
OCC1([NH2+]C[C@H](O)COC2CCCCC2)CCCCC1,C53096978_decoy,ADA,Decoy,0,-8.33564,-7.73,-0.64,-9.6977936532648
CCC(CC)NC(=O)[C@@H](C)[NH2+][C@]1(CO)CCC[C@H](C)C1,C53126378_decoy,ADA,Decoy,0,-7.82254,-6.27,-1.62,-6.209636001384354
CCC(CC)NC(=O)[C@H](C)[NH2+][C@@]1(CO)CCC[C@H](C)C1,C53126384_decoy,ADA,Decoy,0,-7.39954,-5.36,-3.29,-4.879848191310956
CC[NH2+][C@H]1CC[C@H](C(C)C)C[C@@H]1CN(CCO)CCO,C54560099_decoy,ADA,Decoy,0,-9.34799,-6.93,-1.77,-8.673778051000728
CCOc1ccccc1[C@@H](C[NH3+])Nc1ccccc1OC,C57597292_decoy,ADA,Decoy,0,-6.68277,-6.94,-1.81,-7.6591021857524275
CC(C)CCNC(=O)CN(C)[C@]1(C[NH3+])CCC[C@@H](C)C1,C50088787_decoy,ADA,Decoy,0,-7.5375,-7.13,-0.6,-8.453799148211274
CCCN(CC(=O)NC1CCCC1)[C@](C)(CC)C[NH3+],C50092273_decoy,ADA,Decoy,0,-6.68737,-6.09,-0.58,-8.033211249942074
CC[C@@H](NCCC[NH+](C)C1CCCCC1)C(N)=O,C61676791_decoy,ADA,Decoy,0,-7.40367,-7.34,-1.53,-7.42413534549066
C[C@H](c1ccccc1F)[NH+](C)CCCC/C(N)=N/O,C62014696_decoy,ADA,Decoy,0,-9.26052,-7.25,-1.53,-8.565574888715405
C[NH+](CC[C@H](NC1CC1)C(N)=O)C1CCCCCC1,C62451227_decoy,ADA,Decoy,0,-8.06525,-6.53,-2.21,-7.588490785516378
CCCN[C@@H](CC[NH+](C)[C@@H](C)C(C)(C)C)C(N)=O,C62456592_decoy,ADA,Decoy,0,-7.51043,-6.51,-1.1,-7.307606160301449
CCC1CCC([NH+](C)CC[C@H](NC2CC2)C(N)=O)CC1,C62525937_decoy,ADA,Decoy,0,-8.19091,-7.65,-1.29,-8.07684599906014
CCCN[C@H](CC[NH+](C)CC1CCCCC1)C(N)=O,C62526627_decoy,ADA,Decoy,0,-7.68678,-6.65,-0.44,-7.705353652253211
CCN[C@@H](CC[NH+]1CCC(C(C)(C)C)CC1)C(N)=O,C62530550_decoy,ADA,Decoy,0,-7.82901,-7.09,-1.34,-7.353689955594646
CCC[NH2+][C@@H](CCO[C@H]1C[C@H](C)CC(C)(C)C1)C(N)=O,C62542853_decoy,ADA,Decoy,0,-7.39621,-6.95,-1.11,-8.731738978014373
CCC[NH2+][C@H](CCOCC1CCCCC1)C(N)=O,C62595993_decoy,ADA,Decoy,0,-7.0368,-6.46,-1.7,-6.432334901169454
CCCN[C@H](CC[NH+]1CCC(CC)(CC)CC1)C(N)=O,C62956415_decoy,ADA,Decoy,0,-8.18376,-6.94,-0.53,-10.8427996211493
CCC1(CC)CC[NH+](C[C@H](NC(C)C)C(N)=O)CC1,C62956518_decoy,ADA,Decoy,0,-7.57485,-7.14,-2.64,-7.1875179460797884
COCC/[NH+]=C(/N)NCC(C)(C)c1ccc(Cl)cc1,C66244458_decoy,ADA,Decoy,0,-8.49406,-7.15,-0.53,-8.767295455689363
C#CCOCNC(=S)NNc1ccccc1,C03160911_decoy,ADA,Decoy,0,-6.48768,-4.33,-1.03,-4.064717173119247
CC(C)C(=O)NNC(=S)NCc1ccco1,C06826707_decoy,ADA,Decoy,0,-6.3794,-5.1,-0.87,-5.232115841325526
C=CCNC(=S)NNc1nc(C)cc(C)n1,C07556679_decoy,ADA,Decoy,0,-6.96892,-5.02,-0.72,-5.004380045816817
CCCC(=O)NNC(=S)NC(=O)C1CC1,C08568972_decoy,ADA,Decoy,0,-6.3679,-5.36,-0.4,-5.82407909885846
CC[C@H]1CCCC[C@@H]1OCCC/C(N)=N/O,C19503502_decoy,ADA,Decoy,0,-9.05848,-6.76,-0.79,-7.511335002329497
CC(C)CCNS(=O)(=O)Cc1ccc(N)cc1,C20020029_decoy,ADA,Decoy,0,-7.34982,-6.82,-0.7,-6.900529203513917
N/C(CCCOCC(F)(F)C(F)F)=N\O,C20518238_decoy,ADA,Decoy,0,-6.67881,-6.2,-0.66,-6.527417177541744
NC(=S)c1ccc(CS(=O)(=O)NCC2CC2)cc1,C21010833_decoy,ADA,Decoy,0,-9.29605,-6.35,-0.63,-6.731975465275989
O=C(CCc1ccsc1)NNC(=S)NC1CC1,C22083162_decoy,ADA,Decoy,0,-7.48259,-5.72,-0.32,-5.333514614381686
CCOCCCNC(=O)Cc1ccccc1N,C22177251_decoy,ADA,Decoy,0,-5.39249,-5.78,-0.71,-6.529657842786106
CSc1ccc(CSCCC(=O)NC(N)=O)cc1,C27187544_decoy,ADA,Decoy,0,-7.54363,-6.56,-0.63,-7.445195025411798
CCCOC(=O)c1ccc(NC(N)=S)cc1,C33508048_decoy,ADA,Decoy,0,-8.27838,-6.69,-0.13,-9.022160289550367
NC(=O)CSc1ccccc1NC[C@H]1CCOC1,C37071926_decoy,ADA,Decoy,0,-8.06067,-6.4,-0.8,-6.604342066123332
CC[C@@H]([NH2+]CCCC(=O)[O-])c1ccc(O)cc1,C37417590_decoy,ADA,Decoy,0,-6.83419,-6.42,-0.81,-6.792222176467045
Cc1cc(C)c([C@@](C)([NH2+]CCCO)C(=O)[O-])c(C)c1,C41801592_decoy,ADA,Decoy,0,-7.29767,-5.31,-1.3,-5.163182245785992
C[C@]([NH2+]CCCO)(C(=O)[O-])c1ccccc1,C41801666_decoy,ADA,Decoy,0,-6.68815,-7.3,-0.47,-7.2633733967321135
CC(C)(C)c1ccc([C@@](C)([NH2+]CCO)C(=O)[O-])cc1,C41801810_decoy,ADA,Decoy,0,-6.98598,-7.02,-0.41,-6.685323390010419
CCCC1CCC([NH2+][C@H](CO)CC(C)C)(C(=O)[O-])CC1,C41834366_decoy,ADA,Decoy,0,-7.57674,-6.62,-0.6,-7.439346616697438
CCC(CC)C(=O)N(C)C[C@@H](C)/C(N)=N/O,C42458603_decoy,ADA,Decoy,0,-7.16418,-6.73,-0.65,-8.88702509072304
CC[C@@H](C)N(CCOC)C(=O)c1cc(N)c[nH]1,C42561463_decoy,ADA,Decoy,0,-5.63528,-4.43,-0.41,-3.956627736344703
CC(C)N(CCC/C(N)=N/O)CC(F)(F)F,C42767292_decoy,ADA,Decoy,0,-7.95916,-6.27,0.02,-11.846999493446535
CC(C)N(CCCC/C(N)=N/O)CC(F)(F)F,C42767320_decoy,ADA,Decoy,0,-8.50915,-6.88,-0.84,-10.447220221056678
COCCOCCNc1ccc(N)cc1C,C44691226_decoy,ADA,Decoy,0,-4.72519,-4.75,-0.1,-4.118038584986126
CCC(CC)N(CCO)C(=O)[C@H](CC)C(N)=S,C44859085_decoy,ADA,Decoy,0,-7.24114,-5.61,-1.18,-6.954063098548206
CCC[C@@H](C(=O)NC[C@H]1CCCCO1)C(N)=S,C44860267_decoy,ADA,Decoy,0,-7.30908,-5.89,-0.09,-6.584745250947772
CCCN(CC)C(=O)[C@@H](/C(N)=N/O)C(C)C,C44866544_decoy,ADA,Decoy,0,-7.34944,-6.02,-0.46,-7.367595863608792
CC(C)CCOCCNC(=O)[C@H](C(N)=S)C(C)C,C45109592_decoy,ADA,Decoy,0,-7.15256,-5.44,-0.39,-6.827262769667012
CC[NH+](C)C[C@]([NH2+]C)(C(=O)[O-])c1ccccc1,C45264557_decoy,ADA,Decoy,0,-6.15934,-5.34,-0.22,-6.059104774781088
CC(C)[C@@H]1CC[C@H](C)C[C@H]1OCCC[C@](C)([NH3+])C(=O)[O-],C45475692_decoy,ADA,Decoy,0,-7.61525,-7.88,-0.61,-7.615739246483851
CCC(C)(C)c1ccc(OC[C@](C)([NH3+])C(=O)[O-])cc1,C45515109_decoy,ADA,Decoy,0,-7.86829,-7.27,-0.51,-7.406693089569082
C=CCNC(=S)NNC(=O)/C=C/c1ccc(C)s1,C47340553_decoy,ADA,Decoy,0,-7.52749,-6.5,-0.3,-7.066974904234441
CCC(CC)NC(=O)C[S@@+]([O-])c1ccccc1N,C49286850_decoy,ADA,Decoy,0,-6.07393,-6.85,-0.99,-6.533276653765251
COCCN([C@H](C)C1CC1)[C@H]1N=C(C)[NH+]=C1N,C49776902_decoy,ADA,Decoy,0,-6.29069,-5.89,-0.63,-6.146572059876784
Cc1cc(C)cc(N(C)CCCC[C@](C)([NH3+])C(=O)[O-])c1,C49989706_decoy,ADA,Decoy,0,-6.74855,-7.43,-0.51,-6.836763608834199
N#CCCN(C[C@H](O)c1ccccc1N)c1ccccc1,C51325962_decoy,ADA,Decoy,0,-9.2668,-7.01,-1.15,-8.245565425079809
Nc1ccc(OC[C@@H](O)COCC2CC2)cc1,C51327884_decoy,ADA,Decoy,0,-6.33221,-5.1,-0.5,-4.530405996062052
C=COCCCNC(=O)[C@@](C)(N)c1ccccc1,C52882684_decoy,ADA,Decoy,0,-5.9571,-5.16,-1.64,-4.54860423008237
CCC[C@@H](C(=O)NCc1ccc(C)o1)C(N)=S,C53039492_decoy,ADA,Decoy,0,-7.4033,-5.71,-0.48,-7.196689150671984
COCCN[C@](C)(C(N)=O)c1ccc(F)c(Cl)c1,C53259781_decoy,ADA,Decoy,0,-6.27089,-6.43,-0.02,-6.839693861071255
CCOCCC(=O)N[C@H](C(N)=S)C1CCCCC1,C53733243_decoy,ADA,Decoy,0,-7.83106,-6.57,-0.06,-9.152070576820911
CCN(CCC(=O)NC1CC1)c1ccccc1N,C54050091_decoy,ADA,Decoy,0,-6.18096,-6.46,-0.3,-6.438666398869066
CC[C@@H](CC(N)=S)NS(=O)(=O)c1ccccc1,C54162809_decoy,ADA,Decoy,0,-6.45957,-5.69,-0.76,-6.540869420624168
CCN(CC(=O)NC1CCCCCC1)CC(N)=S,C55345893_decoy,ADA,Decoy,0,-7.90786,-6.02,-0.49,-6.7367616590385335
C=CCOc1ccc(/C=C\C(=O)NC2CC2)cc1N,C57896996_decoy,ADA,Decoy,0,-6.88201,-6.41,-1.77,-6.600861186425528
CC[NH+](CC)c1ccc(CNCC(=O)NC)cc1,C37207218_decoy,ADA,Decoy,0,-6.07238,-6.03,-0.86,-5.612091608164459
Cc1cc([N-]S(=O)(=O)CCCC[NH3+])ccc1F,C61118227_decoy,ADA,Decoy,0,-6.70336,-5.91,-0.83,-6.556860579139294
NC(=O)CCOc1ccccc1N[C@@H]1CCCSC1,C61578389_decoy,ADA,Decoy,0,-8.08961,-7.17,-0.57,-7.46060704714379
C[C@@H]1C[C@@H]1c1ccc(C[C@H]([NH3+])CCC(=O)[O-])o1,C61893498_decoy,ADA,Decoy,0,-6.97197,-6.55,-0.16,-6.399621025376438
O=C(CC1CCCC1)NNC(=S)NCC(F)(F)F,C64080999_decoy,ADA,Decoy,0,-6.23774,-5.28,-0.61,-4.639482235062088
CCC[C@H](NC(N)=O)C(=O)N(C)[C@H](C)CC,C66646094_decoy,ADA,Decoy,0,-6.854,-5.38,-0.12,-6.644038290667594
COCCNC(=O)[C@@H](C)Nc1cc(C)ccc1OC,C20314840_decoy,ADA,Decoy,0,-6.71545,-5.65,-1.06,-5.318212148606393
O=C(NCCCOCc1ccco1)NC1CCCC1,C31023061_decoy,ADA,Decoy,0,-6.72883,-4.98,-0.46,-5.120451479573817
CCOc1ccc(OCc2nc(CON)cs2)cc1,C32126643_decoy,ADA,Decoy,0,-9.08698,-6.65,-1.61,-9.14655267733103
CC[NH+](CC)CCNC(=O)CC1(C(=O)[O-])CCCCC1,C35721228_decoy,ADA,Decoy,0,-6.24804,-6.68,-1.22,-6.972429036801736
CCC(C)(C)NC(=O)C[NH+](CCC(=O)[O-])C(C)C,C37596373_decoy,ADA,Decoy,0,-7.26973,-5.93,-0.45,-6.901997022554171
CCC(CC)(CC(=O)NC[C@H](C(C)C)[NH+](C)C)C(=O)[O-],C37792138_decoy,ADA,Decoy,0,-5.66793,-6.55,-1.54,-6.751609854451707
CCC(CC)[C@H](CNC(=O)[C@H]1C[C@@H]1C(=O)[O-])[NH+](C)C,C37792600_decoy,ADA,Decoy,0,-7.34417,-4.73,-2.27,-4.868412336524164
COc1ccc(NC[C@H](O)COC(C)(C)C)cc1OC,C37876723_decoy,ADA,Decoy,0,-7.66421,-6.57,-0.89,-8.88463039426963
COc1cc(NC[C@H](O)COC(C)(C)C)cc(OC)c1,C37876788_decoy,ADA,Decoy,0,-7.47695,-7.09,-2.31,-7.585452223765113
O[C@@H](CNc1ccccc1OC(F)F)Cn1cccn1,C37885722_decoy,ADA,Decoy,0,-6.58506,-7.26,-1.44,-7.990254498663067
O[C@H](CNc1ccccc1OC(F)F)Cn1cccn1,C37885723_decoy,ADA,Decoy,0,-6.72118,-7.29,-1.04,-7.295887299979511
CC[NH+](CCC(=O)[O-])CC(=O)N[C@@H]1CCCC[C@@H]1C,C38025050_decoy,ADA,Decoy,0,-6.11335,-4.99,-1.56,-4.326763086406337
CC(C)[C@H](C)NC(=O)C[NH+](CCC(=O)[O-])C(C)(C)C,C37597409_decoy,ADA,Decoy,0,-6.94923,-6.25,-0.56,-6.711850835019481
COC[C@H](C)NC(=O)CNc1ccccc1OC,C42221760_decoy,ADA,Decoy,0,-5.92269,-5.0,-0.61,-4.547261511442464
CCC(CC)NC(=O)C[NH+]1CCC[C@@H](CCC(=O)[O-])C1,C43585807_decoy,ADA,Decoy,0,-7.99109,-5.67,-1.58,-6.265479713791079
COCCCC[NH2+][C@](C)(C(=O)[O-])c1ccc(OC)cc1,C44679964_decoy,ADA,Decoy,0,-7.53019,-6.7,-1.18,-7.417433731974243
CCOC[C@@H](C)Nc1ccc(S(=O)(=O)NC)cc1,C44725955_decoy,ADA,Decoy,0,-6.93956,-6.56,-1.37,-6.218316292606683
CCCNC(=O)NCC(=O)N(CC)Cc1ccccc1,C44995287_decoy,ADA,Decoy,0,-6.42899,-5.94,-0.31,-6.001010969495948
CC[C@H](C)NC(=O)CCNC(=O)C(C#N)(CC)CC,C45008676_decoy,ADA,Decoy,0,-6.33654,-6.69,-1.47,-6.438473195598292
CCN[C@@](C)(C#N)CCCCSc1nccc(=O)[nH]1,C45332711_decoy,ADA,Decoy,0,-8.43784,-6.79,-0.41,-6.653413636443143
CCC[NH2+][C@](Cn1cc(C)cn1)(C(=O)[O-])c1ccccc1,C45436164_decoy,ADA,Decoy,0,-4.36594,-6.43,-0.51,-6.195038938082706
CC(C)OC(=O)CCNC(=O)NCCc1ccsc1,C46907626_decoy,ADA,Decoy,0,-7.6236,-6.29,-0.74,-9.92363039683935
CCOCCCCNC(=O)Nc1ccccc1N(C)C,C47486692_decoy,ADA,Decoy,0,-6.67374,-7.37,-1.68,-8.204808550244561
C[C@@H]1C[C@H]1CNC(=O)NCCCOCc1ccco1,C48211395_decoy,ADA,Decoy,0,-6.56997,-6.65,0.04,-9.652572275268746
CC[C@@H](C)C(=O)NCC(=O)N[C@H](C)CCc1ccco1,C48964536_decoy,ADA,Decoy,0,-6.68678,-6.07,-2.69,-7.615817605631578
C=C[C@@H](C)Sc1nnc(CCC(N)=O)n1CC(C)C,C48988285_decoy,ADA,Decoy,0,-7.23956,-6.23,-1.12,-8.405713308578134
COC[C@H](C)N(C)c1ccc(N)c(OCC(C)C)n1,C49026402_decoy,ADA,Decoy,0,-6.45274,-6.6,-0.23,-6.605599251863167
CC(C)[C@@H](C[NH+](C)C)NC(=O)C[C@](C)(C(=O)[O-])C(C)C,C49196707_decoy,ADA,Decoy,0,-6.4289,-5.77,-0.65,-6.497305089907822
COC(=O)[C@@H](CC(C)C)NCC(=O)NCC(C)C,C49825343_decoy,ADA,Decoy,0,-6.32202,-4.72,-1.67,-4.575254595340983
CC(C)[NH+](C)CCCCNc1ccc(C(=O)[O-])o1,C50909476_decoy,ADA,Decoy,0,-6.44938,-5.48,-0.6,-4.999911388070922
C[C@H](CNC(=O)NC(C1CC1)C1CC1)Cn1cccn1,C52521127_decoy,ADA,Decoy,0,-6.66184,-5.22,-1.17,-4.5497186625082735
CC[C@@](NCCOC)(C(=O)OC)c1ccc(O)cc1,C53258318_decoy,ADA,Decoy,0,-6.7468,-5.44,-2.21,-5.367172666155729
COC(=O)c1cc(N(CCC#N)CC(C)C)ccc1N,C44420311_decoy,ADA,Decoy,0,-8.01593,-6.88,-0.61,-8.376386503307556
CC(C)[C@H](C)NC(=O)NCCCOC[C@H]1CCCO1,C59263410_decoy,ADA,Decoy,0,-6.4366,-5.72,-1.97,-6.108918011089748
COCCNC(=O)NCCO[C@@H]1CCCC[C@@H]1C,C60893696_decoy,ADA,Decoy,0,-7.41225,-6.59,-2.46,-6.760460559318688
CC[NH+](CC(=O)NC1CCCCC1)[C@@H](C)CC(=O)[O-],C61183463_decoy,ADA,Decoy,0,-6.90207,-4.7,-0.47,-4.453679277398184
CCC[C@H](C)NC(=O)C[NH+](CC)[C@@H](C)CC(=O)[O-],C61183519_decoy,ADA,Decoy,0,-5.63939,-6.11,-1.47,-6.01641223204837
CCC[C@@H](C)NC(=O)[C@H](C)[NH+](CC)C[C@@H](C)C(=O)[O-],C61218671_decoy,ADA,Decoy,0,-6.45312,-5.07,-3.03,-4.794469067562698
CC[NH+](C[C@@H](C)C(=O)[O-])[C@@H](C)C(=O)NC(C)(C)CC,C61218681_decoy,ADA,Decoy,0,-7.03041,-5.98,-0.46,-6.595395678686887
COc1ccc([N-]S(=O)(=O)CC[NH2+]C(C)C)c(C)c1,C61568639_decoy,ADA,Decoy,0,-7.38644,-5.87,-1.13,-5.302161358214381
CC(C)CCC[C@H](C)NC(=O)C[NH+]1CC[C@H](C(=O)[O-])C1,C62133494_decoy,ADA,Decoy,0,-7.06401,-7.47,-0.77,-7.469737620813472
COCC[NH+](C)CCNc1ccc(C(=O)[O-])cc1Cl,C62796323_decoy,ADA,Decoy,0,-7.12243,-5.06,0.1,-4.843476446830582
CCCNC(=O)C[NH+]1CCC[C@@](CCC)(C(=O)[O-])C1,C62878297_decoy,ADA,Decoy,0,-5.28472,-7.21,-1.18,-8.37456342120988
CCC(CC)NC(=O)C[NH+]1CC[C@](CC)(C(=O)[O-])C1,C62936727_decoy,ADA,Decoy,0,-6.62046,-6.72,-0.76,-7.011695008167191
CCCCNC(=O)C[NH+]1CC[C@](CC)(C(=O)[O-])C1,C62936733_decoy,ADA,Decoy,0,-7.43586,-6.03,-0.56,-6.611976905367513
CCC[C@]1(C(=O)[O-])CC[NH+](CC(=O)N[C@@H](C)CC)C1,C62937989_decoy,ADA,Decoy,0,-6.53422,-6.12,-0.3,-6.365899322150685
C#CCNC(=O)CCNC(=O)N(C)[C@@H](C)CC(C)C,C64755612_decoy,ADA,Decoy,0,-6.45097,-6.48,-0.68,-7.004815423078404
CCOc1ccc(F)cc1NCC(=O)N[C@H](C)COC,C66828055_decoy,ADA,Decoy,0,-6.69407,-5.44,-0.86,-4.98219667814479
C=CCNC(=O)Nc1cc(F)ccc1OCCOC,C67292604_decoy,ADA,Decoy,0,-6.22801,-5.51,-0.82,-5.606619668774809
CCOc1ccc(F)cc1NC(=O)NCCCOC,C67326072_decoy,ADA,Decoy,0,-6.58137,-5.12,-1.58,-5.332804826084303
CCc1cccc(C)c1NC(=O)C[C@@H]([NH2+]Cc1ccco1)C(=O)[O-],C02698093_decoy,ADA,Decoy,0,-8.48434,-5.11,-0.92,-5.071818699870667
CCNC(=S)NNC(=O)COc1ccccc1OC,C13991428_decoy,ADA,Decoy,0,-6.7707,-6.25,-0.96,-6.681390608135287
COCCCNC(=S)NNC(=O)[C@H]1CC=CCC1,C15666841_decoy,ADA,Decoy,0,-7.66524,-5.45,-0.89,-6.771629475621783
NC(=O)CCN(Cc1ccccc1)C(=S)NCc1ccco1,C17457686_decoy,ADA,Decoy,0,-7.68164,-7.8,-0.41,-8.755763757289126
CN(C)CC[NH2+][C@H](CC(=O)Nc1ccc(Cl)cc1)C(=O)[O-],C22466361_decoy,ADA,Decoy,0,-8.24319,-7.25,-0.63,-8.819125168340928
COCCCNC(=S)NNC(=O)c1ccc(F)c(F)c1,C22624942_decoy,ADA,Decoy,0,-7.04005,-6.23,-0.74,-10.321429203729608
O=C(CCOc1ccc(F)cc1)NNC(=S)NC1CC1,C31492088_decoy,ADA,Decoy,0,-6.67795,-7.06,-0.68,-9.74750550282045
C=CCNC(=S)N/C=C(/C(C)=O)C(=O)Nc1ccccc1C,C16958356_decoy,ADA,Decoy,0,-7.289,-6.37,-0.62,-6.998480412272285
CCC[C@](C)([NH2+]CC(=O)NCCC1=CCCCC1)C(=O)[O-],C36808038_decoy,ADA,Decoy,0,-7.41141,-6.02,-0.81,-5.5683410767676405
C[NH2+]CCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1,C37611436_decoy,ADA,Decoy,0,-7.5419,-6.47,-0.92,-8.221676738827854
CC(C)[NH2+]CCCC(=O)N[C@@H](CC(=O)[O-])c1cccs1,C37634751_decoy,ADA,Decoy,0,-7.65249,-6.61,-0.59,-12.582677673998075
CC[C@@H](C)[NH2+]CC(=O)N[C@@H](CC(=O)[O-])c1ccccc1,C40469660_decoy,ADA,Decoy,0,-6.18603,-5.23,-0.67,-4.446538652178597
CC[NH+](CC)CCC[C@H](C)NC(=O)N[C@@H](C)CC(=O)[O-],C40542915_decoy,ADA,Decoy,0,-6.72079,-5.19,-1.26,-5.115534512345838
CC(=O)N[C@@H](CC(=O)N[C@H](CO)CC(C)C)c1cccs1,C40792030_decoy,ADA,Decoy,0,-7.99744,-7.66,-2.34,-8.887571399344978
CC(=O)N[C@@H](CC(=O)N[C@@H](CO)CC(C)C)c1cccs1,C40792033_decoy,ADA,Decoy,0,-8.45399,-6.53,-1.76,-8.468580911800577
CCc1ccc(C(=O)[C@H](CNC2CC[NH2+]CC2)CC(=O)[O-])cc1,C41602717_decoy,ADA,Decoy,0,-8.90727,-6.38,-0.48,-6.024475908276338
CCCc1ccc([C@@](C)([NH2+]CCNC(C)=O)C(=O)[O-])cc1,C41804392_decoy,ADA,Decoy,0,-7.06383,-6.06,-1.05,-5.284742843442252
CC[C@]([NH2+]CCNS(C)(=O)=O)(C(=O)[O-])c1ccc(C)cc1,C41805296_decoy,ADA,Decoy,0,-7.49749,-6.8,-0.34,-8.585353500693163
CCCNC(=O)C[NH2+][C@](CC)(C[C@@H](C)CC)C(=O)[O-],C41805565_decoy,ADA,Decoy,0,-6.85277,-5.63,-1.08,-8.421996086309102
CCCCOCCCNC(=O)N[C@@H]1CCCCNC1=O,C43038282_decoy,ADA,Decoy,0,-7.63271,-4.98,0.11,-5.770712514209551
COCCOCCNS(=O)(=O)c1cc(Cl)ccc1N,C44688060_decoy,ADA,Decoy,0,-7.43319,-6.51,-1.96,-6.893343242498763
COCCOCCNc1nc2c(cc1C(N)=S)CCC2,C44727947_decoy,ADA,Decoy,0,-8.10242,-5.43,-0.53,-8.20273137151368
CCC[C@H](C(=O)N[C@@H](CC(C)C)C(=O)OC)C(N)=S,C44860540_decoy,ADA,Decoy,0,-7.87432,-4.66,-0.41,-5.114476916516198
CCCC(CCC)(C(=O)N(C)CCOC)/C(N)=N/O,C44872961_decoy,ADA,Decoy,0,-7.47337,-6.17,-1.18,-7.682667814994191
CCC[C@H](C(=O)N(CCOC)[C@@H](C)C1CC1)/C(N)=N/O,C44878741_decoy,ADA,Decoy,0,-7.73914,-6.76,0.29,-10.834078253732766
CC(C)CCOCCNS(=O)(=O)c1cc(N)cs1,C45094177_decoy,ADA,Decoy,0,-8.05088,-5.53,-2.24,-6.904147967047461
CC(C)(C)NNC(=O)NCCCOCc1ccco1,C45157686_decoy,ADA,Decoy,0,-6.16168,-4.65,-0.48,-4.6646765374561125
O=C([O-])CC1(CC(=O)NCCC[NH2+]C2CC2)CCCCC1,C48838091_decoy,ADA,Decoy,0,-6.22663,-6.77,-1.27,-6.700818414558908
CC[NH2+]CCCNC(=O)N(CCC(=O)[O-])c1ccccc1,C48841207_decoy,ADA,Decoy,0,-6.84472,-7.11,-1.55,-8.387155785528934
CCO[C@H](CC)C(=O)Nc1nc(C)c(SCC(N)=O)s1,C48965742_decoy,ADA,Decoy,0,-9.04851,-5.6,-0.63,-6.954980496244464
C[C@H](CC(=O)NNC(=S)NC[C@H]1CCCO1)C1CC1,C49080248_decoy,ADA,Decoy,0,-7.56906,-5.18,-0.36,-5.014161297142386
CCCNC(=O)CCNC(=O)NCCc1ccsc1,C49127942_decoy,ADA,Decoy,0,-8.22921,-6.69,-0.58,-8.342087463535186
CCOCCCNC(=O)NNC(=O)C[C@H]1C=CCC1,C49379384_decoy,ADA,Decoy,0,-6.76346,-7.09,-0.83,-7.1389491211927
COCCCNC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1,C50511017_decoy,ADA,Decoy,0,-6.97943,-5.02,-1.31,-4.938795866395944
CCC(CC)(CO)NC(=O)CCNC(=O)[C@@H]1C[C@H]1C,C53071636_decoy,ADA,Decoy,0,-6.55013,-6.06,-1.28,-6.592957246820681
CC(=O)NCCCCCC(=O)NC1(CO)CCCCC1,C53095313_decoy,ADA,Decoy,0,-7.05871,-6.48,-0.44,-8.8256776300975
C[C@@H](CNC(=O)C[NH2+][C@@H](C(=O)[O-])C1CC1)c1ccccc1,C54522683_decoy,ADA,Decoy,0,-6.72088,-6.26,-1.46,-5.070540091350568
C=CCNC(=S)NNC(=O)COc1ccccc1C#N,C16283754_decoy,ADA,Decoy,0,-6.98356,-6.31,-0.9,-5.88462262493705
CCOCCCNC(=S)NNC(=O)C[C@H]1C[C@@H]2CC[C@H]1C2,C60400591_decoy,ADA,Decoy,0,-8.47607,-6.59,-1.41,-8.140446025742664
CC[NH2+]C[C@@H](C)C(=O)N[C@@H](CC(=O)[O-])c1cccs1,C61233590_decoy,ADA,Decoy,0,-7.71881,-6.08,-1.31,-8.631619231537895
COCCCNC(=S)NNC(=O)c1cc(C)sc1C,C61480681_decoy,ADA,Decoy,0,-7.16512,-6.05,-0.66,-8.767240013120166
CC[NH+](CC)CCN(CCC(=O)[O-])c1ccccc1N,C62835147_decoy,ADA,Decoy,0,-7.05227,-7.19,-1.45,-7.376468701556124
CCN(CC(=O)NCCCOC)c1ccc(N)cc1,C63114667_decoy,ADA,Decoy,0,-6.91938,-5.78,-0.22,-6.90422458802573
CC(C)OCC(=O)NNC(=S)NCC(F)(F)F,C64082862_decoy,ADA,Decoy,0,-5.25081,-4.88,-0.85,-4.093684006005032
CCCN(CCO)C(=O)NCCC(=O)NC1CCCC1,C65532359_decoy,ADA,Decoy,0,-6.64412,-6.97,-0.21,-9.476523366859558
NC(=O)CCCCSc1nnc(NC[C@H]2CCCO2)s1,C65724671_decoy,ADA,Decoy,0,-8.44072,-5.88,-0.63,-7.0344014782320725
CC(C)(C)SCCNC(=O)NCCNc1ncccc1C#N,C67086790_decoy,ADA,Decoy,0,-8.65901,-5.83,-2.07,-5.70043301644542
CCOCCCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccccc1,C67309561_decoy,ADA,Decoy,0,-7.15677,-8.63,-0.71,-8.07866574947675
CCOCCCNC(=O)NNC(=O)/C=C/c1cccc(F)c1,C67315078_decoy,ADA,Decoy,0,-7.36933,-7.96,-0.57,-7.803401941307412
C[C@@H](COCC(F)(F)F)NC(=O)NCCNC(=O)C1CC1,C67532590_decoy,ADA,Decoy,0,-6.32157,-6.79,-0.55,-6.992236240291152
C[C@H](NC(=O)COC(=O)[C@@H]1C[C@@H]1C)c1ccccc1,C04806823_decoy,ADA,Decoy,0,-6.35622,-6.54,-0.65,-5.387730706013222
Cc1cc(C=O)cc(C)c1OCC(=O)NCC(C)C,C05456648_decoy,ADA,Decoy,0,-6.31964,-5.65,-1.21,-4.840155518580279
CN/C(S)=N/N=C\c1ccc(OCC(C)C)cc1,C05486218_decoy,ADA,Decoy,0,-8.00273,-6.1,-0.56,-6.702544895830304
CCc1ccc(S(=O)(=O)NCCC(=O)Cl)cc1,C11895636_decoy,ADA,Decoy,0,-6.9399,-5.25,-1.1,-4.744137941021271
C/C=C/C(=O)OCC(=O)N[C@@H](C)c1ccc(C)c(C)c1,C25974402_decoy,ADA,Decoy,0,-7.01453,-6.87,-0.28,-6.789636941359876
CCOc1ccc(/C=C(\C#N)C(=O)NCC2CC2)cc1,C27469949_decoy,ADA,Decoy,0,-8.06045,-5.85,-0.35,-5.838428014532076
CCONC(=O)c1ccc(CSc2ccccc2)o1,C30603882_decoy,ADA,Decoy,0,-6.93751,-6.36,-0.39,-6.61299956363769
CCOc1ccccc1N/C(=N/C(=O)CC)SC,C17210593_decoy,ADA,Decoy,0,-6.0183,-5.17,-1.39,-4.93271823037346
COc1cc(/C=C/C(=O)NC[C@@H]2C[C@H]2C)cc(OC)c1,C32384996_decoy,ADA,Decoy,0,-6.8573,-6.76,-1.96,-8.213052777200108
CCn1nccc1CNC(=O)CCC1CCCCC1,C28219542_decoy,ADA,Decoy,0,-6.42654,-6.11,-1.21,-6.935094479624888
CCCNS(=O)(=O)c1cc(OCC)c(C)cc1C,C32601779_decoy,ADA,Decoy,0,-6.85624,-6.11,-0.63,-5.443803007275909
CCCCCN1C[C@H](C(=O)NC2CCCCC2)CC1=O,C34918970_decoy,ADA,Decoy,0,-6.89155,-7.18,-0.58,-9.989643052184531
C=C(C)CSc1nnc(NC(=O)CC(C)C)s1,C35563601_decoy,ADA,Decoy,0,-7.59273,-6.32,-0.66,-9.29499095797419
CCC/C=C/[C@H](C(=O)NC1CCCCC1)N(C)C=O,C36529883_decoy,ADA,Decoy,0,-6.96564,-5.16,-1.44,-4.599288793892315
CSCCCNc1ccc([N+](=O)[O-])cc1Cl,C36970945_decoy,ADA,Decoy,0,-6.20657,-5.06,-0.47,-4.525810383730259
CC[C@H](C)N[C@@H](C#N)c1cc(OC)cc(OC)c1,C38064419_decoy,ADA,Decoy,0,-7.701,-5.95,-1.75,-6.593398664036488
CC(C)C[C@@H](C)Nc1cnn(C[C@@H]2CCCO2)c1,C37137711_decoy,ADA,Decoy,0,-6.14799,-6.71,-0.04,-5.90149089293962
CC(C)C[C@@H](C)O[C@@H](C)C(=O)Nc1ccc(C#N)cc1,C19847494_decoy,ADA,Decoy,0,-7.30985,-7.36,-0.91,-6.977834745148977
CCOc1ccc([C@@H](O)c2occc2C)cc1OCC,C40248232_decoy,ADA,Decoy,0,-6.71867,-5.75,-0.76,-5.067806551357822
COc1ccc([C@H](O)CC(C)(C)C)c(OC)c1OC,C40263704_decoy,ADA,Decoy,0,-6.17761,-4.19,-0.41,-3.783262898615083
C=CCNC(=O)c1ccccc1OC[C@@H]1CCCO1,C40476045_decoy,ADA,Decoy,0,-5.68155,-5.8,-0.76,-5.266903651873519
CN/N=C/c1ccc(OC)c(OCc2ccccc2)c1,C41224275_decoy,ADA,Decoy,0,-7.56263,-6.3,-0.71,-8.341063800328143
CC(=O)N[C@H](C(=O)O[C@@H](C)c1ccc(C)cc1)C(C)C,C41790740_decoy,ADA,Decoy,0,-6.79387,-6.6,-0.96,-6.986219909568946
CC(C)CN(CC(C)C)c1ccc(C(=O)[O-])c[nH+]1,C42034556_decoy,ADA,Decoy,0,-7.10057,-7.16,-0.09,-14.31874783912326
CC[NH+](Cc1ccc(C(=O)[O-])cc1)Cc1ccco1,C44383174_decoy,ADA,Decoy,0,-6.31049,-7.07,-1.21,-5.800365567802027
COCC[C@H](C)Nc1cc(OC)c(OC)cc1C,C45022625_decoy,ADA,Decoy,0,-6.14746,-5.12,-1.83,-5.597970299559004
CCCCOCCNC(=O)C1(C#N)CCCCCC1,C45109463_decoy,ADA,Decoy,0,-7.73186,-5.52,-1.18,-5.386704478582213
Cc1cnc(SCC[C@@](C)(C#N)NC(C)C)nc1,C45220989_decoy,ADA,Decoy,0,-9.2118,-6.39,-1.92,-9.187848810976138
CC(C)CNC(=O)/C=C/c1ccc(OCC#N)cc1,C45969878_decoy,ADA,Decoy,0,-7.06258,-5.55,-0.4,-5.658635313556555
COc1cc(C)c([C@@H](C)NC(=O)CC(C)C)cc1OC,C46596547_decoy,ADA,Decoy,0,-6.76191,-5.08,-0.76,-4.33528286791589
CC/C=C\COC(=O)c1[nH]c(C)c(C(C)=O)c1C,C48765808_decoy,ADA,Decoy,0,-5.73182,-5.84,-0.81,-5.22758759709206
FC(F)(F)Oc1ccccc1NCCn1cccn1,C49314097_decoy,ADA,Decoy,0,-4.8554,-6.07,-0.38,-3.996044824168353
COc1cccc(N(C)C[C@@](C)(C#N)NC(C)C)c1,C49971414_decoy,ADA,Decoy,0,-7.07467,-6.67,-0.31,-7.455533551912688
CCN[C@@](C)(C#N)CCN(C)c1ccc(OC)cc1,C49971579_decoy,ADA,Decoy,0,-7.89423,-6.64,-1.26,-8.080909889710435
C[C@H](NCCc1ccc([N+](=O)[O-])cc1)c1ccsc1,C50344436_decoy,ADA,Decoy,0,-6.86142,-6.84,0.08,-6.450418526302033
CCCNc1cc(CCC)nc(-c2ccncc2)n1,C50850295_decoy,ADA,Decoy,0,-5.84904,-6.05,-1.87,-5.029233226213675
C[NH+](C)CCOc1ccc(C(F)(F)F)cc1C(=O)[O-],C54553577_decoy,ADA,Decoy,0,-5.78517,-5.49,-3.4,-3.974709719195866
CC(C)[C@H]1CC[C@H](C)C[C@H]1OC(=O)OCCO,C33979286_decoy,ADA,Decoy,0,-7.06747,-7.04,-0.06,-7.949414310895989
CCCCN(C)S(=O)(=O)N[C@H]1CCC[C@H](C)[C@@H]1C,C58754491_decoy,ADA,Decoy,0,-7.62137,-6.73,-2.15,-7.351483515487524
CCCN(CC[NH+](C)C)c1ccc(C(=O)[O-])cc1,C45696395_decoy,ADA,Decoy,0,-6.69035,-6.06,-0.05,-5.771701135051118
Cc1ccc(C(=O)NCCCOC2CCCCC2)o1,C61547070_decoy,ADA,Decoy,0,-6.28692,-7.32,-3.29,-6.417223092730848
CCCn1ccnc(NCCC2CCCCC2)c1=O,C61763562_decoy,ADA,Decoy,0,-6.70412,-6.84,-0.5,-8.381844239816445
CC[C@H](C)[C@H](C)Nc1nccn(CC(C)C)c1=O,C61764686_decoy,ADA,Decoy,0,-5.91243,-5.32,-1.26,-4.955770609876464
CC[NH+](CC)Cc1nc(C(C)(C)C)ccc1C(=O)[O-],C62183013_decoy,ADA,Decoy,0,-6.94535,-4.96,-0.64,-5.27241545825196
CCCN(CC#N)C(=O)CCNc1cc(C)cc(C)c1,C64863507_decoy,ADA,Decoy,0,-7.08762,-7.12,-1.28,-7.303920211278992
CCCCS(=O)(=O)NCc1cc2ccccc2o1,C64945381_decoy,ADA,Decoy,0,-7.11039,-7.42,-0.66,-8.597029824410034
CCN(CC(=O)NCC1CCCCC1)C[C@H](C)C#N,C66424515_decoy,ADA,Decoy,0,-7.88693,-4.86,-1.43,-5.155271276402367
C[C@H](C1CC1)N(C)S(=O)(=O)NCC1(C)CCCC1,C66581223_decoy,ADA,Decoy,0,-7.5596,-5.12,-1.5,-5.136202161207649
CCCC(C)(C)NS(=O)(=O)N(C)[C@@H](C)C1CC1,C66915865_decoy,ADA,Decoy,0,-6.3823,-4.75,-1.38,-4.317110471410239
Fc1cccc(NCc2ccnc(OCC3CC3)c2)n1,C67373512_decoy,ADA,Decoy,0,-6.73328,-5.69,-0.54,-4.706779312029354
C=C(C)CNC(=S)NNC(=O)c1ccc(OC)cc1,C06262231_decoy,ADA,Decoy,0,-7.43308,-7.3,-1.7,-6.754879488527885
Cc1ccc(S(=O)(=O)N[C@@H](CC(C)C)C(N)=O)cc1,C07782858_decoy,ADA,Decoy,0,-7.41896,-7.73,-1.32,-7.909237800653903
CC(C)CC(=O)NC(=S)NNC(=O)C1CCCCC1,C08559557_decoy,ADA,Decoy,0,-7.62852,-5.94,-0.8,-5.262329955776428
CCOc1cc(/C=N/NC(N)=S)cc(Cl)c1OC,C13747295_decoy,ADA,Decoy,0,-8.22934,-6.11,-0.29,-6.186338279565855
C#CC(CC)(CC)NC(=O)CSc1nc(C)cc(N)n1,C14640754_decoy,ADA,Decoy,0,-8.18756,-6.5,-1.15,-7.918839257979618
CCCNC(=S)NNC(=O)/C=C/c1ccc(C#N)cc1,C15559572_decoy,ADA,Decoy,0,-7.84946,-5.9,-2.4,-5.305988511179236
C=CCNC(=S)NNC(=O)[C@H](C)Oc1ccc(C)cc1,C17023275_decoy,ADA,Decoy,0,-7.44204,-7.15,-0.49,-8.860653897877093
CCOc1ccc(Nc2ccc(N)cn2)cc1OCC,C19951400_decoy,ADA,Decoy,0,-6.5927,-6.47,-0.67,-6.667129946548233
C[C@@H](CNS(=O)(=O)c1ccc(C(C)(C)C)cc1)ON,C32133731_decoy,ADA,Decoy,0,-9.15662,-6.51,-0.96,-9.56601414052088
CCC[C@H](C)Nc1cc(S(N)(=O)=O)ccc1OC,C37134993_decoy,ADA,Decoy,0,-7.16306,-6.76,-0.77,-7.339491522314197
CC(C)COc1nc(N[C@@H](C)[C@H]2CCCO2)ccc1N,C35734598_decoy,ADA,Decoy,0,-5.6866,-7.37,-0.77,-8.208569674665108
CCOc1ccc(C(=O)N[C@@H](C)Cc2ccco2)cc1N,C40346207_decoy,ADA,Decoy,0,-6.78301,-7.32,-0.55,-7.44034857625147
CCc1ccc(S(=O)(=O)NCCc2ccco2)cc1N,C40347529_decoy,ADA,Decoy,0,-7.50518,-7.75,-1.2,-8.799632196713414
Nc1ccc(Cl)cc1C(=O)OCC(=O)NCC1CC1,C41064688_decoy,ADA,Decoy,0,-6.99956,-6.67,-0.6,-7.041186810278215
CC[C@H](C)NC(=O)[C@@H](C)OC(=O)c1cc(N)c(C)c(F)c1,C41102393_decoy,ADA,Decoy,0,-6.35648,-7.92,-0.85,-7.155558484685829
CCC[C@]([NH2+]CC(=O)NC1CC1)(C(=O)[O-])c1ccccc1,C41805716_decoy,ADA,Decoy,0,-6.81267,-4.74,-0.51,-4.358890826002724
CC(C)N(CCCO)c1ccc(N)c(OC(C)(C)C)n1,C42499932_decoy,ADA,Decoy,0,-7.42295,-7.22,-4.52,-7.08058687602224
CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccc(NN)cc1,C42593931_decoy,ADA,Decoy,0,-9.3317,-6.9,-1.73,-10.840939861438777
C=CCNC(=O)NCCNc1ncc(Cl)cc1Cl,C42925155_decoy,ADA,Decoy,0,-7.0178,-6.05,-0.94,-6.352349352928541
CCCc1cc([O-])nc(S[C@H](C[NH3+])c2ccc(C)o2)n1,C43367298_decoy,ADA,Decoy,0,-7.8895,-7.49,-0.66,-7.517577962418237
CCC[NH2+]CC(=O)Nc1ccc(Cl)cc1C(=O)[O-],C44650851_decoy,ADA,Decoy,0,-6.21067,-6.2,-0.19,-5.639335443174148
CCC(C)(C)NC(=O)[C@H](C)OC(=O)c1ccc(N)cc1C,C44749351_decoy,ADA,Decoy,0,-7.21173,-6.28,-0.61,-5.7942419365678735
CC(C)CN(CC(C)C)C(=O)C1(/C(N)=N/O)CCCC1,C44785671_decoy,ADA,Decoy,0,-7.65563,-7.31,0.04,-8.44056703693033
CCCC(CCC)(C(=O)N1CCCCC1)/C(N)=N/O,C44864752_decoy,ADA,Decoy,0,-6.95183,-6.21,-0.43,-6.786039159152642
CCCC(CCC)(C(=O)N(C)CC1CC1)/C(N)=N/O,C44871153_decoy,ADA,Decoy,0,-6.84559,-7.0,-1.53,-7.639819909077848
CCCC(CCC)(C(=O)N1C[C@@H]2CC[C@H]1C2)/C(N)=N/O,C44877404_decoy,ADA,Decoy,0,-7.88328,-6.76,-1.11,-9.13266443720872
CCCNC(=O)CCNC(=O)[C@@H]1CCc2ccccc2N1,C45089455_decoy,ADA,Decoy,0,-6.74934,-5.93,-0.48,-5.200015641141613
CCCSCc1nc(N)nc(Nc2ccc(F)cc2)n1,C48675228_decoy,ADA,Decoy,0,-8.59489,-8.08,-0.55,-8.77892560156467
CC[C@H](C)[C@H](C)NS(=O)(=O)c1ccc(OC)c(N)c1,C49091974_decoy,ADA,Decoy,0,-9.16001,-6.7,-0.4,-8.565807007552474
CCC[C@@H](NC(N)=O)C(=O)N(CC)C1CCCCC1,C49113934_decoy,ADA,Decoy,0,-8.14118,-7.08,-2.07,-7.870776930336385
CC[C@@H](NS(=O)(=O)c1ccc(OC)c(N)c1)C(C)C,C49127253_decoy,ADA,Decoy,0,-7.36908,-6.98,-1.27,-7.881374794997443
CCCC[C@@H](NC(N)=O)C(=O)N1CCC[C@H](CC)C1,C49178848_decoy,ADA,Decoy,0,-8.55434,-7.41,-0.83,-9.279213939203188
CC[C@H](NC(=O)NCC(=O)NC(C)C)c1cccs1,C49241644_decoy,ADA,Decoy,0,-6.57097,-6.71,-1.77,-8.36867915993053
Cc1c(N)cc(C(=O)OCC(=O)NCCC(C)C)cc1F,C49284940_decoy,ADA,Decoy,0,-6.71985,-8.01,-0.31,-7.358274390964699
CCCC[C@@H](CC)C(=O)N1CCC[C@H](NC(N)=O)C1,C49519757_decoy,ADA,Decoy,0,-8.131,-6.67,-0.68,-9.271018020551631
CCCC[C@@H](CC)C(=O)N1CCC[C@@H](NC(N)=O)C1,C49519759_decoy,ADA,Decoy,0,-8.61483,-7.54,0.54,-8.91011271414362
CCc1[nH]nc(C(=O)N(CC)CC(CC)CC)c1N,C50307177_decoy,ADA,Decoy,0,-6.44139,-6.78,-0.35,-9.678476930046754
CO[C@@H]1CCC[C@@H]1Nc1ccc(N)c(OCC2CC2)n1,C50368935_decoy,ADA,Decoy,0,-7.35461,-5.91,-0.69,-6.575365188165002
CC(C)CCCOCc1nc(NN)c2ccsc2n1,C51149208_decoy,ADA,Decoy,0,-9.87397,-7.73,-0.69,-8.945720897623547
CC(C)CCC[C@@H](C)NC(=O)N1CCC(C(N)=O)CC1,C53493191_decoy,ADA,Decoy,0,-7.11604,-7.96,-0.66,-12.36342454382953
CC[C@@H](C)NC(=O)/C=C(\C)NNC(=O)c1cccc(F)c1,C36067690_decoy,ADA,Decoy,0,-6.5889,-7.24,-0.33,-7.009435417081236
CCCCN(C(=O)c1n[nH]c(CCC)c1N)C1CC1,C50322630_decoy,ADA,Decoy,0,-6.82216,-6.52,-0.82,-7.722344447435296
O=C(CCC1CCCCC1)NNC(=O)NCC(F)(F)F,C60414733_decoy,ADA,Decoy,0,-5.88815,-7.86,-1.97,-7.096119332005706
CC/C=C(/C)C(=O)NNC(=O)NCCc1cccs1,C61431701_decoy,ADA,Decoy,0,-6.65591,-7.41,-0.42,-7.107317132829437
CCC[C@@H]1CCCN(C(=O)[C@H](CCC)NC(N)=O)CC1,C61585978_decoy,ADA,Decoy,0,-8.53328,-6.0,-0.94,-6.964793366758998
CC[C@@]1(C(=O)NCCc2ccc(C(=O)[O-])cc2)CC[NH2+]C1,C62898407_decoy,ADA,Decoy,0,-7.35255,-6.62,-0.39,-6.569874743713398
CC(C)NC(=O)c1ccc(NCC(=O)NC(C)(C)C)cc1,C66094244_decoy,ADA,Decoy,0,-7.04111,-5.97,-0.88,-5.639425145539361
CC[C@H](NC(=O)N1CCC[C@@H](CCC(N)=O)C1)C(C)C,C66121350_decoy,ADA,Decoy,0,-7.26107,-7.23,-3.24,-7.238329341129373
CC(C)CCC(=O)NNC(=O)NCCC(C)(C)C,C67059533_decoy,ADA,Decoy,0,-6.6062,-5.92,-0.86,-5.892410774802688
CC(C)[C@@H](NC(N)=O)C(=O)N(C)C[C@@H](C)c1ccccc1,C67178092_decoy,ADA,Decoy,0,-7.16446,-8.5,-0.43,-9.444503668696052
CCOCCOC(=O)Nc1ccc(Cl)cc1C,C02172168_decoy,ADA,Decoy,0,-6.15863,-5.2,-0.89,-4.648220653489151
CC(C)C[NH+](CC(C)C)[C@H](C)c1ccc(C(=O)[O-])o1,C11945663_decoy,ADA,Decoy,0,-7.33071,-5.84,-1.36,-8.039528359749843
CC[NH+](COc1ccc(C(=O)[O-])cc1)C(C)(C)C,C11993835_decoy,ADA,Decoy,0,-6.66431,-4.91,-0.67,-4.39432718853315
CCOc1ccc(NCc2ccc(C)o2)cc1OCC,C19912222_decoy,ADA,Decoy,0,-6.64308,-5.87,-0.41,-5.474442597971827
CCC[C@H](NCC(F)(F)F)c1cccc([N+](=O)[O-])c1,C20084496_decoy,ADA,Decoy,0,-4.12169,-7.31,0.33,-5.569556738019258
CCCCCN[C@@H](C#N)c1ccc(OC)cc1OC,C20176063_decoy,ADA,Decoy,0,-7.61378,-6.78,-1.38,-11.201728760211262
C=C(C)Cc1c(COC)nc(SCC2CC2)[nH]c1=O,C17952443_decoy,ADA,Decoy,0,-7.94229,-5.95,-0.93,-7.359871328542135
CN(CCCNc1ccc(Cl)nn1)c1ccccc1,C21805440_decoy,ADA,Decoy,0,-6.7395,-6.69,-0.52,-6.476312438704184
COc1cc(/C=C/C(=O)N[C@H](C)C2CC2)cc(OC)c1,C25772124_decoy,ADA,Decoy,0,-6.74334,-6.74,-1.48,-8.570748462241372
C=CCNc1nnc(-c2ccc(OCC)cc2)s1,C28240511_decoy,ADA,Decoy,0,-6.97861,-5.76,-1.5,-6.122490323978357
C=CCN(NC(=O)OC(C)(C)C)c1ccccc1,C34316996_decoy,ADA,Decoy,0,-5.8495,-6.51,-1.39,-6.286399516790476
COC(=O)c1ccc(CNc2ccc(SC)cc2)o1,C35046686_decoy,ADA,Decoy,0,-7.13135,-5.72,-0.31,-7.9031085648277
COC(=O)[C@H](C)CNc1ccc(OC(F)(F)F)cc1,C35757858_decoy,ADA,Decoy,0,-6.04396,-7.22,-0.59,-6.056655280863578
CCC/C=C/[C@@H](C(=O)NC(C)(C)C)N(C=O)CCC,C36569908_decoy,ADA,Decoy,0,-6.15904,-6.37,-2.52,-7.22924632024989
O=C([O-])CSc1[nH+]ccn1CCC1CCCCC1,C37742017_decoy,ADA,Decoy,0,-8.48128,-7.2,-0.47,-7.19713947328735
CCn1cc(N[C@@H](C)CC(C)(C)OC)ccc1=O,C37774181_decoy,ADA,Decoy,0,-4.907,-6.24,-0.11,-5.218839389686367
CC(C)C[NH+](CC(C)C)[C@@H](C)c1ccc(C(=O)[O-])o1,C39792152_decoy,ADA,Decoy,0,-7.61205,-6.88,-0.49,-11.394859853495872
CC(C)C[C@H](C)O[C@@H](C)C(=O)Nc1cccc(C#N)c1,C19847509_decoy,ADA,Decoy,0,-6.54171,-6.47,-0.78,-6.74289207615168
CCOc1ccc(OCC(=O)NC2CCCC2)cc1,C40869238_decoy,ADA,Decoy,0,-6.25774,-5.61,-0.79,-4.426425810658564
CC[C@@](C(=O)[O-])(c1ccc(OC)cc1)[NH+](C)CC1CC1,C41883676_decoy,ADA,Decoy,0,-7.60181,-6.3,-0.89,-7.194764381254149
CC(C)OC(=O)[C@H](NC(=O)c1ccc(F)cc1)C(C)C,C42136429_decoy,ADA,Decoy,0,-5.7481,-4.72,-1.62,-4.194359546314735
CCC(=O)c1ccc(OCC(=O)NC(C)(C)CC)cc1,C42252782_decoy,ADA,Decoy,0,-6.50521,-6.31,-0.5,-5.741373104255677
C/C=C/COC(=O)c1ccc(NC(=O)[C@H]2C[C@@H]2C)cc1,C42258015_decoy,ADA,Decoy,0,-6.69042,-6.45,-1.1,-6.051198271981548
Cc1cc(C[NH+](CC(C)C)C(C)C)oc1C(=O)[O-],C42585839_decoy,ADA,Decoy,0,-7.1782,-6.66,-1.36,-6.659340610754038
COC(=O)[C@H](C)Nc1ccccc1OC(F)(F)F,C43626422_decoy,ADA,Decoy,0,-5.42624,-6.8,-0.83,-7.320841379487163
CCCCN(C(=O)Nc1ccccc1N(C)C)C1CC1,C44080448_decoy,ADA,Decoy,0,-6.20882,-5.95,-1.19,-6.055992786483541
COCC[C@@H](C)Nc1ccccc1N1CCOCC1,C45022656_decoy,ADA,Decoy,0,-6.7018,-6.59,-1.22,-7.168376989070421
COCC[C@H](C)Nc1cc(Cl)ccc1-n1cccn1,C45036431_decoy,ADA,Decoy,0,-6.54123,-5.34,-0.59,-5.017409384538173
CCOc1ccc(OC[C@](C)(C#N)NC(C)C)cc1,C45210189_decoy,ADA,Decoy,0,-8.13467,-6.8,-0.53,-6.911495075024432
CCCN[C@@](C)(C#N)COc1cccc(OC)c1,C45210839_decoy,ADA,Decoy,0,-6.95838,-6.48,-1.33,-6.940531062569197
CCOc1ccc(/C=C/C(=O)NCC(C)C)cc1OC,C45969690_decoy,ADA,Decoy,0,-6.60253,-6.83,-1.81,-8.269263646630806
C/C=C/COC(=O)c1ccc(NC(=O)C(C)C)cc1,C47752033_decoy,ADA,Decoy,0,-6.3433,-6.04,-1.15,-5.668785759920104
COCCOc1ccc(NC(=O)/C=C(/C)C2CC2)cc1,C48704019_decoy,ADA,Decoy,0,-7.0356,-5.2,-0.58,-5.019195678362169
CCCCCc1nnc(NC(=O)/C=C(\C)C2CC2)s1,C48818120_decoy,ADA,Decoy,0,-7.0835,-5.45,-2.33,-4.971687846172306
Cc1nnc(N[C@@H](C)CCCC(C)C)c(C#N)c1C,C48999951_decoy,ADA,Decoy,0,-7.27234,-7.01,-0.51,-9.346626302588222
CCc1c(C(=O)OC[C@H]2C[C@@H]2C)[nH]c(C)c1C(C)=O,C49055899_decoy,ADA,Decoy,0,-6.116,-5.93,-1.35,-4.918995745161413
CCCN[C@@](C)(C#N)CN(C)c1ccc(OC)cc1,C49971536_decoy,ADA,Decoy,0,-7.26814,-6.98,-1.4,-7.120659997255455
CCNc1c(COc2ccccc2CC)c(C)nn1C,C50832886_decoy,ADA,Decoy,0,-6.72649,-6.85,-0.55,-7.9779443552951905
CCCN[C@](C)(C#N)COc1cccc(OCC)c1,C51847395_decoy,ADA,Decoy,0,-7.64272,-7.24,-1.71,-7.526692058935474
CCCNc1cc(COc2cccc(C#N)c2)ccn1,C52754677_decoy,ADA,Decoy,0,-7.3868,-7.26,-0.8,-8.216126151915367
COC[C@@H](C)N(C)c1nc(C(C)(C)C)c(CO)s1,C55003900_decoy,ADA,Decoy,0,-8.06325,-5.95,-1.8,-7.115537580873566
CCCNC(=O)N(C)Cc1ccc(OC(F)F)cc1,C57573391_decoy,ADA,Decoy,0,-5.88894,-5.26,-0.78,-4.701063106800173
C[C@@H](Cc1ccccc1)NCc1ccc([N+](=O)[O-])cc1,C57624996_decoy,ADA,Decoy,0,-5.53519,-5.89,-0.48,-4.374906742829993
CCN(CC)c1ccc(/C=N/NC(=O)C2CCC2)cc1,C59916023_decoy,ADA,Decoy,0,-7.08189,-6.22,-1.07,-5.9705721338550175
C=CCn1nnc(CO)c1CCC1CCCCC1,C62289022_decoy,ADA,Decoy,0,-7.03556,-6.39,-1.95,-7.197799031024596
C[C@H](NCCC(F)(F)F)c1cccc([N+](=O)[O-])c1,C63099208_decoy,ADA,Decoy,0,-4.30913,-6.55,-1.74,-4.575909210709933
CCN(CC)C(=O)NCCCOC1CCCC1,C64242393_decoy,ADA,Decoy,0,-5.58488,-4.57,-1.31,-4.225507389388707
CN(CCCCNC(=O)N1CCCC1)c1ccccc1,C65028870_decoy,ADA,Decoy,0,-5.94703,-6.69,-0.66,-8.091838617434753
CC(C)c1noc(CN[C@@H](c2cccs2)C(C)C)n1,C65554078_decoy,ADA,Decoy,0,-8.84165,-6.52,-0.39,-7.9859367369213246
CC(=O)N[C@@H](C)C(=O)OCc1ccc(C(C)(C)C)cc1,C66058143_decoy,ADA,Decoy,0,-6.831,-6.65,-0.62,-5.852595971257266
NS(=O)(=O)c1ccc(C[NH2+]CC2CCCCC2)cc1,C19910205_decoy,ADA,Decoy,0,-8.88275,-6.9,-0.48,-7.28094133652107
NS(=O)(=O)c1ccc(C[NH2+]C[C@@H]2CC=CCC2)cc1,C20088527_decoy,ADA,Decoy,0,-9.04667,-5.58,-0.82,-5.211267229197778
C[C@H](NS(=O)(=O)c1ccc(F)c(C[NH3+])c1)c1ccccc1,C20189131_decoy,ADA,Decoy,0,-7.96137,-6.53,-0.18,-6.045200444687817
C[C@@H]1CCCC[NH+]1CCCNC(=O)c1cc(Cl)ccc1N,C20551785_decoy,ADA,Decoy,0,-7.93556,-7.06,-1.11,-6.688046848895702
Cc1ccc(C)c(NS(=O)(=O)Cc2ccc(C[NH3+])cc2)c1,C21812057_decoy,ADA,Decoy,0,-6.22352,-6.87,-0.57,-5.267944020121796
CC[NH2+][C@H](Cc1ccccc1)c1ccc2[nH]c(=O)[nH]c2c1,C35545948_decoy,ADA,Decoy,0,-6.63215,-8.18,-0.65,-6.367764012444436
CCC[NH2+][C@@H](c1ccsc1)c1ccc2[nH]c(=O)[nH]c2c1,C35581354_decoy,ADA,Decoy,0,-7.9725,-7.75,0.09,-7.915082980704659
NS(=O)(=O)CC[NH2+]C1CC(c2cccc(Cl)c2)C1,C36846843_decoy,ADA,Decoy,0,-10.4522,-7.8,-0.51,-8.06795244891439
CC(C)C[C@@H]([NH3+])C(=O)Nc1ccc(C(C)(C)C#N)cc1,C37007922_decoy,ADA,Decoy,0,-8.11226,-8.1,-1.08,-7.882468117996429
C[C@@H]1C[NH+](C)[C@@H](C)C[C@H]1Nc1ccccc1SCC(N)=O,C37071937_decoy,ADA,Decoy,0,-8.52123,-7.59,-0.59,-7.9729507330173774
C[C@@H]([NH2+]Cc1ccc(S(N)(=O)=O)cc1)C1CCCCC1,C37199382_decoy,ADA,Decoy,0,-8.53819,-7.56,-1.67,-6.9127768308073545
[NH3+]Cc1ccccc1CS(=O)(=O)NC1CCCCCC1,C37390280_decoy,ADA,Decoy,0,-8.48878,-7.34,-0.9,-7.95423515254278
Cc1ccc(C(=O)Nc2ccccc2OCC[NH3+])cc1,C36682549_decoy,ADA,Decoy,0,-7.27484,-6.17,-0.35,-5.6054283653998045
CSc1ccc(NS(=O)(=O)c2ccc(C[NH3+])cc2)cc1,C37572872_decoy,ADA,Decoy,0,-8.45025,-6.11,-0.65,-7.062383013016149
C[C@H](NS(=O)(=O)c1ccc(C[NH3+])cc1)c1cccs1,C37573529_decoy,ADA,Decoy,0,-8.51406,-5.99,-0.38,-6.317266114953677
C[C@]([NH3+])(C(=O)Nc1ccc(OC2CCCC2)cc1)C1CC1,C37615201_decoy,ADA,Decoy,0,-7.94801,-7.74,-1.15,-6.517266941213268
CC(C)Oc1ccc(-c2cnc([C@](C)([NH3+])C3CC3)[nH]2)cc1,C37615867_decoy,ADA,Decoy,0,-7.97841,-7.31,-1.84,-6.688368826935106
C[C@]([NH3+])(c1ncc(-c2ccccc2OC(F)F)[nH]1)C1CC1,C37615924_decoy,ADA,Decoy,0,-7.0188,-7.54,0.1,-6.609674877130213
CCC[C@@](C)([NH3+])C(=O)Nc1ccc(N2CCCCC2)cc1,C37622281_decoy,ADA,Decoy,0,-7.781,-6.96,-0.66,-6.138613007052421
CCCOc1ccccc1NC(=O)C1CCC([NH3+])CC1,C37627499_decoy,ADA,Decoy,0,-8.03476,-7.86,-1.48,-8.738600887070879
C[C@H]([NH2+]CCC1CCCC1)c1ccc2[nH]c(=O)[nH]c2c1,C37739607_decoy,ADA,Decoy,0,-7.12534,-7.75,-0.11,-7.393069521179549
C[C@H]1CCCC[C@@H]1NS(=O)(=O)Cc1cccc(C[NH3+])c1,C37918419_decoy,ADA,Decoy,0,-8.1235,-6.68,-3.53,-6.448143383078706
Cc1ccc([C@](C)([NH2+]C[C@H]2CCCO2)C(N)=O)cc1C,C37950597_decoy,ADA,Decoy,0,-7.9091,-8.07,-0.33,-7.564600130834795
CC(C)Oc1ccc([C@H](C)NC(=O)C(C)(C)[NH3+])cc1,C40921307_decoy,ADA,Decoy,0,-6.48106,-6.55,-0.76,-6.250405313918377
C[C@]([NH3+])(C(=O)N[C@@H](c1ccccc1)c1ccco1)C1CC1,C41651566_decoy,ADA,Decoy,0,-7.33802,-7.17,-0.47,-7.879901855212031
N/[NH+]=C(/NC1CCCC1)c1ccc(OC(F)F)cc1,C42037328_decoy,ADA,Decoy,0,-11.3545,-8.16,-0.52,-11.655788927298165
CC[NH2+]Cc1ccc(N2CCCC[C@H]2C(N)=O)c(F)c1,C42405717_decoy,ADA,Decoy,0,-8.53117,-7.43,-0.16,-9.216674331840066
C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(C[NH3+])s1,C42869883_decoy,ADA,Decoy,0,-8.84637,-8.21,-0.89,-8.900750889433123
C[NH+](CC(=O)Nc1cc(F)ccc1N)CC(C)(C)C,C45065086_decoy,ADA,Decoy,0,-6.22736,-7.03,-0.84,-7.312154971911488
C[C@H]1CCc2ccccc2N1C[C@H]([NH2+]C1CC1)C(N)=O,C45368566_decoy,ADA,Decoy,0,-7.75596,-7.11,-0.91,-7.458709721680969
CC[C@H]1CCCC[C@@H]1NS(=O)(=O)c1ccc(C[NH3+])cc1,C49120922_decoy,ADA,Decoy,0,-8.53509,-8.01,-0.62,-8.69408377482826
Cc1ccccc1[C@@H](C)NS(=O)(=O)c1cccc(C[NH3+])c1,C49526292_decoy,ADA,Decoy,0,-7.05246,-6.37,-1.95,-5.183799576732761
CC[C@@](C(=O)[O-])(c1ccc(Cl)cc1)[NH+]1CC[C@H](C[NH3+])C1,C50251896_decoy,ADA,Decoy,0,-7.57545,-7.2,-0.78,-7.607940802582
COc1ccc([C@@H](NC(=O)[C@@H]2C[C@@H]2[NH3+])C2CC2)cc1,C50460831_decoy,ADA,Decoy,0,-7.31479,-6.7,-0.59,-7.919388664494092
Cc1cc(N2CCC[C@H]2C(N)=O)ccc1C[NH2+]C1CC1,C50581659_decoy,ADA,Decoy,0,-8.10522,-7.94,-3.31,-7.525379849989695
Cc1cc([C@@H](C)NC(=[NH2+])NC2CCCCC2)c(C)o1,C52048524_decoy,ADA,Decoy,0,-8.11843,-7.31,-0.74,-7.738406653775046
O=C(C[NH2+]C1(CO)CCCCC1)NC1CCCC1,C53097425_decoy,ADA,Decoy,0,-7.24628,-4.99,-0.68,-4.592840638758095
C[C@H]1CCC[C@@](CO)([NH2+]CC(=O)NC2CCCCCC2)C1,C53341417_decoy,ADA,Decoy,0,-7.95714,-7.88,-0.53,-8.148312355649947
CCC[NH2+]C1C[C@H]2CCC[C@@H](C1)N2[C@@H](C)C(N)=O,C54602059_decoy,ADA,Decoy,0,-7.06689,-3.78,-0.56,-3.958315481350384
CC1CCC([NH+](C)[C@@H](C/C(N)=N/O)c2ccccc2)CC1,C55021302_decoy,ADA,Decoy,0,-11.0824,-7.76,-0.82,-8.962380676480075
COC(=[NH2+])NC(=S)Nc1cccc(C(F)(F)F)c1,C04365945_decoy,ADA,Decoy,0,-5.96806,-6.85,-0.66,-7.08419097320085
CC[C@H](CC(N)=[NH2+])N1CCN(c2ccccc2)CC1,C36678091_decoy,ADA,Decoy,0,-7.83257,-6.54,-0.24,-6.818250399000046
Cc1ccccc1[C@H](C[NH3+])CC(=O)Nc1ccccc1C#N,C57608060_decoy,ADA,Decoy,0,-9.07283,-8.82,-0.29,-8.943963942582057
C[C@@H]1CCC[C@@](C[NH3+])(N(C)CC(=O)NC2CCCCC2)C1,C50089134_decoy,ADA,Decoy,0,-7.30415,-8.14,-0.96,-10.018407281429866
CC(C)[C@H](C)[NH+](C)Cc1nc(NN)ccc1Cl,C61631006_decoy,ADA,Decoy,0,-8.15338,-6.09,-1.33,-7.187213544617444
CN[C@@](C)(CC[NH+]1CCC2(CCCCC2)CC1)C(N)=O,C61821817_decoy,ADA,Decoy,0,-8.17237,-7.75,-1.17,-7.560674604558358
CCC[C@@]1(C(=O)NC2(CO)CCC(C)CC2)CCC[NH2+]C1,C62861059_decoy,ADA,Decoy,0,-8.9172,-7.47,-0.34,-9.436834968858683
CC(C)[C@@H](C[NH+](C)C)Nc1nc2ccc(N)cc2s1,C63103931_decoy,ADA,Decoy,0,-7.76069,-6.83,-0.51,-6.680823551027672
CC(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@@H]2[NH3+])cc1,C63175576_decoy,ADA,Decoy,0,-8.70204,-7.86,-0.03,-8.306006213838725
CC(C)Cc1ccc(S(=O)(=O)N[C@@H]2CCC[C@H]2[NH3+])cc1,C63175579_decoy,ADA,Decoy,0,-8.32778,-6.59,-0.69,-5.850945056144413
CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1N,C03887918_decoy,ADA,Decoy,0,-7.80812,-5.88,-0.94,-9.749617706361777
NC(=O)c1ccccc1OCC(=O)NCCC1=CCCCC1,C09247979_decoy,ADA,Decoy,0,-7.92585,-8.25,-0.86,-7.336829504780643
C=CCNC(=S)Nc1cccc(Nc2cc(C)ncn2)c1,C12226323_decoy,ADA,Decoy,0,-7.8291,-7.4,-1.67,-7.277366123819207
C=CCNC(=S)NNC(=O)COc1ccccc1C(C)C,C14569409_decoy,ADA,Decoy,0,-7.01742,-6.86,-1.08,-7.256721900626656
Cc1cc(C)cc(OCC(=O)NNC(=S)NC2CC2)c1,C15908700_decoy,ADA,Decoy,0,-6.93101,-6.16,-0.66,-5.765985792864204
COCCCNC(=S)NNC(=O)/C=C/c1cccc(C)c1,C15909964_decoy,ADA,Decoy,0,-7.65978,-6.96,-1.36,-7.278974364692101
Cc1cccc(C)c1OCC(=O)NNC(=S)NC1CC1,C16311882_decoy,ADA,Decoy,0,-7.09116,-6.29,-0.36,-5.984187304541975
CCC(CC)NC(=O)[C@H](C)Nc1ccc(NC(C)=O)cc1,C20364685_decoy,ADA,Decoy,0,-6.96584,-7.65,-0.94,-7.776205250081027
CCCNC(=S)NNC(=O)CCc1ccc(C#N)cc1,C26678125_decoy,ADA,Decoy,0,-9.89177,-7.02,-0.16,-8.51135279084272
C=CCNC(=O)[C@H](C)Nc1ccc(F)c(NC(=O)C2CC2)c1,C32771704_decoy,ADA,Decoy,0,-7.49114,-7.11,-0.88,-8.41341898284753
Cc1cc(C)c(NC(=O)C[NH2+]CCCC(=O)[O-])c(Cl)c1,C35422843_decoy,ADA,Decoy,0,-7.75843,-5.26,-0.78,-5.356236045430152
CCCNC(=O)COc1ccc(C(=O)CCC)cc1N,C36263574_decoy,ADA,Decoy,0,-6.47446,-7.31,-0.33,-7.25088672280123
Nc1ccc(NCCc2ccccn2)nc1OCC1CC1,C37066639_decoy,ADA,Decoy,0,-7.39012,-6.25,-0.75,-6.356965469852232
O=C([O-])CCCCCNC(=O)[C@H]1C[C@@H]2CCCC[C@H]2[NH2+]1,C40470177_decoy,ADA,Decoy,0,-7.28023,-7.1,-0.3,-6.899296739342502
CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(F)c(N)c1,C41097678_decoy,ADA,Decoy,0,-6.74448,-7.31,-0.56,-7.380354344673978
CCNC(=O)C[NH2+][C@](C)(C(=O)[O-])c1ccc(CC)cc1,C41802730_decoy,ADA,Decoy,0,-7.16042,-6.72,-0.83,-6.600204774872509
CCCNC(=O)C[NH2+][C@](CC)(C(=O)[O-])c1ccc(F)cc1,C41805464_decoy,ADA,Decoy,0,-6.64884,-7.14,-1.61,-7.464866946521053
CCCNC(=O)C[NH2+][C@](CCC)(C(=O)[O-])c1ccccc1,C41805571_decoy,ADA,Decoy,0,-5.79189,-5.73,-0.93,-5.211797968301482
CC[C@@]([NH2+]CC(=O)NC(C)C)(C(=O)[O-])c1ccccc1,C41805828_decoy,ADA,Decoy,0,-5.83952,-6.54,-0.71,-6.204104896542219
C=CCNC(=S)NNC(=O)/C=C/c1ccc(OCC)cc1,C41961467_decoy,ADA,Decoy,0,-8.29905,-7.17,-0.93,-14.262063600819475
C=CCNC(=S)NNC(=O)c1cccc(OC(F)F)c1,C41961922_decoy,ADA,Decoy,0,-7.0979,-6.96,-1.08,-7.106730040328646
CC[C@H](C(=O)N(CC)CC/C(N)=N/O)c1ccccc1,C42453763_decoy,ADA,Decoy,0,-8.29238,-7.96,-1.34,-7.979002529069394
CC(C)COC[C@@H](O)CNC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C,C43039814_decoy,ADA,Decoy,0,-7.98938,-7.37,-3.68,-8.43259169413312
CC(C)CN(CC/C(N)=N/O)C(=O)C[C@H]1C[C@H]2CC[C@@H]1C2,C43418972_decoy,ADA,Decoy,0,-9.67525,-8.08,-1.94,-10.10433439172908
CCC(CC)NC(=O)[C@H](C)OC(=O)c1ccc(N)cc1F,C43575362_decoy,ADA,Decoy,0,-6.68513,-5.76,-1.1,-5.217722294944138
CCC[C@H](C)NC(=O)[C@H](C)OC(=O)c1ccc(N)cc1F,C43575369_decoy,ADA,Decoy,0,-6.9822,-7.53,-1.71,-7.657819569161648
CCCC(CCC)(C(=O)N1CCC[C@@H]1CC)/C(N)=N/O,C44871069_decoy,ADA,Decoy,0,-7.02414,-6.43,-1.27,-6.863613383494986
CC(C)(C)CCNC(=O)NCCNC(=O)c1cccs1,C46925723_decoy,ADA,Decoy,0,-8.0831,-7.0,-0.64,-7.398975558207265
CC(C)CCNC(=O)COC(=O)c1cc(N)c(F)cc1F,C48045941_decoy,ADA,Decoy,0,-6.48452,-7.61,-1.32,-7.025315149113961
C=CCNC(=O)[C@@H](C)Nc1ccc(NC(=O)CC)cc1,C48674413_decoy,ADA,Decoy,0,-6.33226,-6.77,-0.99,-6.0364478161054445
CCCCN(C1CC1)S(=O)(=O)c1ccc(NN)cc1,C48996027_decoy,ADA,Decoy,0,-9.15779,-6.55,-1.53,-8.823782372656927
CCNC(=O)[C@H](C)[NH2+][C@](CC)(C(=O)[O-])c1ccc(C)cc1,C49233539_decoy,ADA,Decoy,0,-7.14174,-7.58,-1.57,-7.298145524337764
Nc1ccc(N2CCC[C@H]2CCCO)nc1OCC1CC1,C52760134_decoy,ADA,Decoy,0,-8.68995,-5.9,-0.47,-7.1836182717183705
CC[C@@H](C)[NH2+]CC(=O)N[C@](C)(C(=O)[O-])c1ccccc1,C52880754_decoy,ADA,Decoy,0,-7.31562,-5.34,-0.46,-5.381482472992857
CN(CCCNc1nccnc1C(N)=S)c1ccccc1,C54396668_decoy,ADA,Decoy,0,-7.96299,-7.4,-0.1,-7.732538670186888
CC(C)CCNC(=O)[C@H](C)OC(=O)c1ccc(N)c(F)c1,C54413841_decoy,ADA,Decoy,0,-8.47544,-6.09,-0.55,-6.851152485116924
C[C@@H](NC(=O)CNc1ccc(C(=O)NC2CC2)cc1)C1CC1,C55835291_decoy,ADA,Decoy,0,-6.98763,-6.54,-0.71,-6.177803833827388
CCOc1ccc([C@H](C[NH3+])Cc2ccc(C(=O)[O-])o2)cc1,C57752158_decoy,ADA,Decoy,0,-7.66283,-6.72,0.33,-6.90103918856226
C=CCOc1ccc(/C=C\C(=O)NCCCOC)cc1N,C57896892_decoy,ADA,Decoy,0,-6.65085,-6.08,-1.56,-5.867381130264148
O=C(CCCNC(=O)NC1CCCCC1)NCC1CC1,C58605727_decoy,ADA,Decoy,0,-6.57556,-6.38,-0.47,-6.351648363200622
CC(=O)N[C@H](C)C(=O)NC[C@@H](Nc1ccccc1)C(C)C,C58678820_decoy,ADA,Decoy,0,-6.6716,-6.39,-1.45,-5.896848279326917
CCC(C)(C)NC(=O)c1ccc(NCC(=O)NC2CC2)cc1,C55879243_decoy,ADA,Decoy,0,-7.01617,-6.53,-0.53,-7.054274176495458
CCOCCCNC(=S)NNC(=O)c1cccc(C)c1,C60400341_decoy,ADA,Decoy,0,-7.43244,-6.55,-0.81,-7.286508911788378
CN(C(=O)CCCCNC(N)=O)c1ccc(C(C)(C)C)cc1,C60416514_decoy,ADA,Decoy,0,-8.07637,-7.32,-0.29,-8.521956722108872
CCCOc1nc(NCCc2nc(C)cs2)ccc1N,C63133028_decoy,ADA,Decoy,0,-9.01125,-6.91,-0.79,-7.656193111945677
CC(C)CCNC(=O)NNC(=O)CSCCC(C)C,C65132944_decoy,ADA,Decoy,0,-8.81377,-6.88,-0.39,-12.288095653724552
C[C@@H](CC(=O)NNC(=O)CNc1ccccc1)C(C)(C)C,C66619784_decoy,ADA,Decoy,0,-7.24522,-7.68,-0.71,-7.349669417618951
CC(C)CCC(=O)NNC(=O)NCCSC(C)(C)C,C67086856_decoy,ADA,Decoy,0,-7.40768,-6.94,-1.15,-7.626675373085932
CC/C(N)=N/OCC(=O)N[C@@H](C)c1ccc(CC)cc1,C67385688_decoy,ADA,Decoy,0,-7.09051,-6.84,-0.45,-6.362322196946454
CCCCC1CCC(NC(=O)NCCC(=O)NC)CC1,C67647364_decoy,ADA,Decoy,0,-7.43339,-6.8,-1.54,-6.748702483461447
O=C(CCC1CCCC1)NC[C@H]1CCCO1,C01217949_decoy,ADA,Decoy,0,-6.17384,-4.8,-1.2,-4.128089254016147
C=C[C@](C)(O)CN(C=O)Cc1ccccc1,C06442038_decoy,ADA,Decoy,0,-6.0291,-5.13,-0.42,-5.9682519938307
CC(C)CC(=O)N[C@@H](C(=O)Cl)C(C)C,C11893742_decoy,ADA,Decoy,0,-5.8645,-5.43,-0.69,-5.9795008513828405
C/C=C/c1ccc(OCCO)c(OC)c1,C19861814_decoy,ADA,Decoy,0,-6.03386,-5.45,0.06,-4.899913311474603
CC(C)Oc1ccc([C@@H](C#N)NC2CC2)cc1,C20176518_decoy,ADA,Decoy,0,-7.5787,-6.73,0.14,-7.31240911563385
COCCCNC1(C#N)CCCC1,C20177797_decoy,ADA,Decoy,0,-6.59931,-5.89,-1.28,-6.171108154490532
COc1ccc([C@H](C)NCCC#N)cc1F,C20200026_decoy,ADA,Decoy,0,-8.99226,-6.43,-1.54,-7.749309325311338
CCCN[C@](C)(C#N)c1ccc(OC)cc1,C20380079_decoy,ADA,Decoy,0,-5.38896,-5.95,-0.2,-5.788910125477992
CC(C)COC(=O)[C@H]1CS[C@H](C(C)C)N1,C35192711_decoy,ADA,Decoy,0,-6.89692,-4.53,0.14,-4.488692504891803
C=CC(=O)NCCN(C)c1ccccc1,C36334767_decoy,ADA,Decoy,0,-4.94579,-4.88,-0.93,-3.917966944643085
CC(C)(C)NS(=O)(=O)CCCCl,C36881341_decoy,ADA,Decoy,0,-5.84017,-3.69,-1.22,-3.603588183826734
N#CCCNc1ccccc1OC(F)F,C36904874_decoy,ADA,Decoy,0,-6.65099,-5.61,-0.49,-5.379962371720307
CN(CCO)C(=O)CCC1CCCC1,C37853839_decoy,ADA,Decoy,0,-6.02688,-6.28,-1.07,-5.620754860914496
[H]/N=C(\OCC)c1ccc(OC(C)C)cc1,C37928180_decoy,ADA,Decoy,0,-6.26109,-6.26,-1.37,-6.516983213428353
CCCC[NH+]1CCCC[C@@H]1CC(=O)[O-],C38027594_decoy,ADA,Decoy,0,-5.65405,-5.51,-0.34,-5.765209399133779
CC(C)/C=C/CNC(=O)OC(C)(C)C,C39091257_decoy,ADA,Decoy,0,-5.36168,-5.07,-0.31,-4.229935856171087
C[C@H]1CCCC[C@H]1OCCNC(=O)C1CC1,C40108280_decoy,ADA,Decoy,0,-6.04355,-4.71,-0.73,-4.018158228778281
CCC[C@](C)(C(=O)[O-])[NH+](C)C1CCCCC1,C41849724_decoy,ADA,Decoy,0,-6.48301,-5.64,-1.75,-7.289281984706351
CC(C)(C)CC[NH+]1CCC[C@@H]1CC(=O)[O-],C42162819_decoy,ADA,Decoy,0,-6.71844,-5.92,-1.19,-6.664600270034122
CCOCCO[C@H]1CCCCC[C@@H]1O,C44217387_decoy,ADA,Decoy,0,-6.20021,-5.13,-0.06,-5.56947372827948
CC(C)(C)[C@@H](O)COC[C@@H]1CCCCO1,C44221689_decoy,ADA,Decoy,0,-6.16435,-5.07,0.11,-4.590240927387739
CC(C)OCCO[C@@H]1CCCCC[C@@H]1O,C44223916_decoy,ADA,Decoy,0,-6.99792,-5.44,-0.2,-6.032600645212702
CC(C)N[C@](C)(C#N)CN(C)c1ccccc1,C45175313_decoy,ADA,Decoy,0,-5.61933,-6.37,-0.52,-6.239326608860273
COC[C@@](C#N)(NC1CC1)c1ccccc1,C45209366_decoy,ADA,Decoy,0,-5.69065,-5.78,-0.07,-5.115974235855028
C[C@@H]1CCC[C@H](OC[C@@H](C#N)NC2CC2)C1,C45323673_decoy,ADA,Decoy,0,-7.27242,-6.93,-1.63,-6.977596902606382
C[C@H]1CCCC[C@@H]1OC[C@@H](C#N)NC1CC1,C45325572_decoy,ADA,Decoy,0,-7.19774,-6.5,-1.79,-6.740223044240924
COc1ccc([C@@H](C)NC[C@@H](C)C#N)cc1F,C48580727_decoy,ADA,Decoy,0,-8.78209,-6.32,-0.83,-7.161215068295018
Cc1ccccc1SCC(=O)NCCC#N,C48835136_decoy,ADA,Decoy,0,-8.23317,-5.72,-0.57,-6.930602863302427
C[C@@H](CCc1ccco1)NCC#N,C49566485_decoy,ADA,Decoy,0,-6.06396,-5.11,0.32,-6.1079678042034935
CC[C@@H](C)SCc1nnsc1NC,C50837502_decoy,ADA,Decoy,0,-8.02403,-5.06,-0.42,-7.099278592496109
CCC[C@](C)(C[NH+]1CCC(C)CC1)C(=O)[O-],C51286542_decoy,ADA,Decoy,0,-6.7713,-5.92,-1.72,-6.111685035513945
C[NH+](Cc1cccs1)CC(C)(C)C(=O)[O-],C51287840_decoy,ADA,Decoy,0,-6.02908,-6.1,-1.02,-6.049043542089618
C#CCN[C@@H](C#N)c1ccccc1OC(F)F,C51963004_decoy,ADA,Decoy,0,-7.74423,-5.68,-0.71,-6.670574908287223
C#CCN[C@H](C#N)c1ccccc1OC(F)F,C51963007_decoy,ADA,Decoy,0,-7.80151,-5.62,-1.42,-6.378112043810601
CN[C@@H](C#N)COCC1CCCCC1,C52156785_decoy,ADA,Decoy,0,-6.98509,-6.17,-0.8,-5.792138125689943
COCCN[C@@H](C#N)c1cc(F)ccc1F,C53256258_decoy,ADA,Decoy,0,-5.87907,-5.07,-0.91,-4.209468910978569
CCCc1nc(N(C)C2CC2)sc1CO,C55003059_decoy,ADA,Decoy,0,-7.66116,-5.71,-0.63,-6.718592508377986
CSCC(=O)N(CCO)C1CCCCC1,C55476324_decoy,ADA,Decoy,0,-6.39668,-5.87,-0.13,-7.287665008803124
C=CCNC(=O)C[C@@H](C#N)c1ccccc1F,C57520181_decoy,ADA,Decoy,0,-8.53917,-6.12,-0.89,-6.923732488432799
CCOc1ccccc1OC1(CO)CCCC1,C57527366_decoy,ADA,Decoy,0,-6.57744,-6.34,-0.83,-5.776203223421248
CCN(CC)C(=O)CNc1cc(C)cc(C)c1,C58372504_decoy,ADA,Decoy,0,-6.32267,-6.14,-0.7,-8.167004511114886
COC(=O)[C@@H](N[C@@H]1CCCSC1)C(C)C,C61572964_decoy,ADA,Decoy,0,-7.03474,-4.68,-0.53,-4.367380514029006
CNc1ccc(Cl)c(COCC2CC2)n1,C61640403_decoy,ADA,Decoy,0,-5.75959,-5.89,-1.54,-4.858785491184335
CCCNc1nc(C)c(COC)s1,C61714402_decoy,ADA,Decoy,0,-6.1608,-4.38,-0.85,-4.590288503999626
CN(CCCCO)c1ccc(C#N)cc1,C61954454_decoy,ADA,Decoy,0,-8.87415,-5.16,-0.46,-7.329319459962824
CN(CCCCO)c1cccc(C#N)c1,C61954484_decoy,ADA,Decoy,0,-8.90018,-6.03,-0.16,-8.591329527122802
CN[C@H](C#N)CCO[C@@H]1CCC[C@H](C)C1,C62441492_decoy,ADA,Decoy,0,-6.91349,-6.01,-0.74,-6.120541375306597
CC[C@H](C)[NH+](CC)[C@@H]1CCC[C@@H]1C(=O)[O-],C62751459_decoy,ADA,Decoy,0,-6.16015,-3.96,-0.22,-3.721590655797536
CCC[C@]1(C(=O)[O-])CC[NH+](CC(F)F)C1,C62938175_decoy,ADA,Decoy,0,-4.68449,-5.72,0.41,-6.54703872664341
CSC[C@H](C)C(=O)N[C@H](C)[C@@H]1CCCO1,C66759294_decoy,ADA,Decoy,0,-6.28373,-5.16,-0.93,-6.338949716219412
CCCCS(=O)(=O)Nc1ccccc1C#N,C05680903_decoy,ADA,Decoy,0,-6.68786,-5.21,-1.37,-4.70229131154387
CC(C)CNc1nnc(SCC#N)s1,C08250859_decoy,ADA,Decoy,0,-8.75653,-5.96,-0.38,-7.518873987960098
O=C(COC(=O)[C@@H]1CC=CCC1)c1ccc[nH]1,C10849146_decoy,ADA,Decoy,0,-5.89459,-7.0,-0.48,-6.405273548214015
COCCCNc1ccc(Cl)nn1,C08048317_decoy,ADA,Decoy,0,-5.78257,-4.88,-0.74,-5.759031626402832
C[C@@H](OCC1CC1)C(=O)Nc1ccc(C#N)cc1,C19870803_decoy,ADA,Decoy,0,-7.16677,-7.07,-0.93,-7.126497868053251
COc1ccc(CN[C@@H](C#N)c2ccco2)cc1,C19984637_decoy,ADA,Decoy,0,-6.38377,-6.71,-0.38,-5.7540924218416505
CCOc1ccccc1NCc1cnn(C)c1,C20074985_decoy,ADA,Decoy,0,-5.64067,-6.02,-0.46,-5.880060175008558
C#CCNC(=O)/C=C/c1ccc(OCC#N)cc1,C32504113_decoy,ADA,Decoy,0,-6.68222,-4.53,-0.86,-3.9919959036035655
C[NH+](C)CCOc1ccsc1C(=O)[O-],C31978725_decoy,ADA,Decoy,0,-7.10115,-3.9,-0.64,-3.792503262394903
COC(=O)[C@H](C)NC(=O)/C=C/c1cccs1,C32979642_decoy,ADA,Decoy,0,-6.24513,-5.0,-0.61,-4.256309236012068
CC[NH+](CC)Cc1occc1C(=O)[O-],C35432917_decoy,ADA,Decoy,0,-4.7709,-3.96,0.08,-3.405981709596375
CCCN(CC)c1n[nH]c(=S)n1C(C)C,C36865650_decoy,ADA,Decoy,0,-6.7265,-5.19,-0.8,-5.841771756453974
CC[C@H](C)N(CC)c1n[nH]c(=S)n1CC,C36865720_decoy,ADA,Decoy,0,-6.57577,-5.52,0.12,-9.401151261876974
C[C@H](Cc1ccco1)NCc1ccnn1C,C36994144_decoy,ADA,Decoy,0,-5.3992,-5.77,-0.09,-5.381870106894606
CCCN(C(=O)NC(=O)CCCl)C1CC1,C37097673_decoy,ADA,Decoy,0,-5.43562,-5.2,-1.33,-5.018950298574157
CC(C)CNc1cnn(C[C@H]2CCCO2)c1,C37137593_decoy,ADA,Decoy,0,-5.77736,-6.37,-0.33,-6.069846791912741
CC(=O)O[C@@H](C(=O)NC1CCCCC1)C(C)C,C37631790_decoy,ADA,Decoy,0,-5.87803,-4.93,-1.37,-4.208412722863632
C[C@@H](C#N)CN(C)C(=O)CNc1ccccc1,C37823374_decoy,ADA,Decoy,0,-6.15114,-5.02,-1.14,-4.579220031472559
CCO/N=C\c1ccc(O)c(OCC)c1,C39099636_decoy,ADA,Decoy,0,-6.18393,-5.04,-0.04,-4.126151860318206
CC(C)NC(=O)[C@H](C)Oc1ccccc1C=O,C20304205_decoy,ADA,Decoy,0,-5.72724,-5.8,-0.74,-5.439744097975728
COC(=O)[C@@H](C)NC(=O)CC1CCCCC1,C42204871_decoy,ADA,Decoy,0,-6.30135,-6.86,-0.82,-8.932344523305236
C/C=C\C=C\C(=O)Nc1nnc(CCC)s1,C42468748_decoy,ADA,Decoy,0,-6.3912,-5.83,-0.8,-5.127951098722871
CC(C)S(=O)(=O)N[C@@H](C)Cc1ccco1,C44443987_decoy,ADA,Decoy,0,-6.02812,-5.36,-1.19,-4.527210508588152
COC[C@@H](C)CNc1nc(C)cc(C)n1,C44477253_decoy,ADA,Decoy,0,-5.28146,-4.52,-0.44,-3.967515157691128
CCN(CC#N)[C@H](C)C(=O)NC1CCCCC1,C45060882_decoy,ADA,Decoy,0,-6.75804,-6.18,-0.75,-6.5892440100429575
CCCN[C@](C)(C#N)CN1C[C@H](C)OC[C@@H]1C,C45176179_decoy,ADA,Decoy,0,-7.50936,-6.08,-0.91,-7.066465232291019
CCN[C@H](C#N)CN1C[C@H](C)OC[C@@H]1CC,C45318161_decoy,ADA,Decoy,0,-7.01915,-5.4,-0.64,-5.626829544565424
COc1ccccc1[C@H](C)NC(=O)[C@H](C)OC,C48628908_decoy,ADA,Decoy,0,-5.68136,-5.66,-1.47,-4.7687718023533545
COc1ccc(CO)c(OC[C@@H]2CCOC2)c1,C49689152_decoy,ADA,Decoy,0,-6.72235,-5.33,-0.52,-5.108761141496415
CCNc1ccc(CSC)cc1[N+](=O)[O-],C50839186_decoy,ADA,Decoy,0,-5.39194,-3.98,-0.1,-3.687782813204967
CNc1cc(C(C)C)nc(CCOC)n1,C50851700_decoy,ADA,Decoy,0,-5.88418,-5.76,-0.37,-5.333323549959199
O=C([O-])CC[C@H]1CCCC[NH+]1Cc1ccco1,C50925062_decoy,ADA,Decoy,0,-6.3838,-6.62,-1.19,-6.789113641554393
O=c1c2ccccc2cnn1CCCCCO,C51020224_decoy,ADA,Decoy,0,-6.14585,-5.41,-0.47,-5.59932717516154
CCC(CC)(C[NH+]1CCOC[C@H]1C)C(=O)[O-],C51287896_decoy,ADA,Decoy,0,-6.28516,-4.53,-0.23,-3.96385627059648
CC[C@H]1COCC[NH+]1C[C@@](C)(CC)C(=O)[O-],C51288378_decoy,ADA,Decoy,0,-6.88415,-5.37,-1.27,-5.482927666718283
C[C@H](C1CC1)[NH+](C)Cc1cc(C(=O)[O-])co1,C51330402_decoy,ADA,Decoy,0,-6.11959,-6.09,-0.36,-5.86421265541775
CC[NH+](C[C@@H]1CC[C@H](C(=O)[O-])O1)C1CCCC1,C51395292_decoy,ADA,Decoy,0,-6.49065,-6.03,0.12,-5.4840191235770055
Cc1cc(SC[C@@H](C#N)NC2CC2)n(C)n1,C52311727_decoy,ADA,Decoy,0,-9.06322,-6.24,-1.27,-6.824753023686168
CC(C)(C)OC(=O)N1CCC[C@H]1CCCO,C52758947_decoy,ADA,Decoy,0,-6.44984,-4.39,0.26,-4.412804664879085
CCC(C#N)(CC)C(=O)NCc1ccc(C)o1,C53038960_decoy,ADA,Decoy,0,-6.86835,-4.95,-0.32,-4.883493260733883
COC[C@@H](C)Nc1c(C)nn(C(C)C)c1C,C53196083_decoy,ADA,Decoy,0,-5.99433,-5.2,-0.66,-5.401103283275087
CC(C)C[NH+]1CCN(CC(C)(C)C(=O)[O-])CC1,C55082234_decoy,ADA,Decoy,0,-6.88007,-6.76,-0.62,-6.453948651305119
CCCCNC(=O)[C@@H]1CC[C@@H](C)N(CC#N)C1,C58363853_decoy,ADA,Decoy,0,-7.80641,-6.53,-4.26,-6.5161383511587685
C=CCNC(=O)COc1cccc2c1CCC2=O,C10197930_decoy,ADA,Decoy,0,-4.74333,-6.1,-0.46,-4.641664960003776
CCC[C@@](C)(C[NH+]1CCCOCC1)C(=O)[O-],C61934969_decoy,ADA,Decoy,0,-6.17574,-4.18,-1.05,-4.005273008532508
CCCNS(=O)(=O)N1CCCC[C@H]1CC,C62105144_decoy,ADA,Decoy,0,-6.67159,-5.08,-0.31,-4.938210554948272
CC1(C)CN(CC[C@H](C#N)NC2CC2)CCO1,C62435236_decoy,ADA,Decoy,0,-8.12572,-6.59,-2.74,-6.589406578739431
C[C@H](CC#N)N(C)CC(=O)NC1CCCCC1,C63095741_decoy,ADA,Decoy,0,-7.19433,-5.15,-1.45,-4.636858158676416
C#CCNC(=O)c1ccc(OCC2CC2)nc1,C66600645_decoy,ADA,Decoy,0,-5.73796,-4.8,-0.44,-4.510894890832439
CCCNC(=O)N1CCC[C@H](OCCC)C1,C67004947_decoy,ADA,Decoy,0,-5.62401,-5.88,-0.5,-5.2542326388596425
C=C(C)COc1c(Cl)cc(C(N)=O)cc1OC,C06702777_decoy,ADA,Decoy,0,-6.26122,-6.67,-0.38,-9.168240305879252
C[C@H](NC(=O)c1ccc(NC(=O)C2CC2)cc1)C1CC1,C18207442_decoy,ADA,Decoy,0,-7.38046,-7.65,-0.65,-7.539267214040576
CCc1sc(C(=O)NNC(=O)[C@@H](C)CC)cc1C,C22415040_decoy,ADA,Decoy,0,-6.5842,-5.68,-0.67,-4.878061355804941
Cc1ccccc1N[C@@H](C)C(=O)NC[C@H]1CCCO1,C32112547_decoy,ADA,Decoy,0,-6.68064,-6.57,-0.25,-7.207983042813695
CCCN(Cc1ccccc1N)C(=O)c1ccc(C)o1,C35365092_decoy,ADA,Decoy,0,-6.10187,-7.13,-0.23,-7.190678597584864
CCOc1ccc([C@H](C)Nc2cn[nH]c2)cc1,C35763862_decoy,ADA,Decoy,0,-6.04031,-6.67,-0.34,-7.176431442404302
CCOc1ccc([C@@H](C)Nc2c(C)n[nH]c2C)cc1,C36736000_decoy,ADA,Decoy,0,-7.29775,-6.58,-0.56,-6.6891786946455705
CNS(=O)(=O)c1cccc(N[C@@H](C)C2(C)CC2)c1,C36978740_decoy,ADA,Decoy,0,-7.00913,-6.6,-0.77,-6.851846162457149
CNS(=O)(=O)c1cccc(N[C@H](C)C2CC2)c1,C36978837_decoy,ADA,Decoy,0,-6.61527,-5.87,-0.58,-5.376304588834382
N#CCOc1cccc(NCc2cccc(O)c2)c1,C37069594_decoy,ADA,Decoy,0,-7.09783,-7.11,-2.44,-9.373783373136453
CNS(=O)(=O)c1ccccc1N[C@@H](C)C1(C)CC1,C37158577_decoy,ADA,Decoy,0,-7.32205,-6.09,-0.11,-6.142305754854549
CC/C(=N\O)c1ccccc1OCC(C)(C)O,C37692425_decoy,ADA,Decoy,0,-7.576,-7.28,-0.47,-8.033817941268323
O=C([O-])c1cc[nH+]c(NCCC2CCCC2)c1,C37741585_decoy,ADA,Decoy,0,-8.50369,-6.52,-1.93,-7.871343645255254
O=C([O-])c1cc(NCCC2CCCC2)cc[nH+]1,C37741590_decoy,ADA,Decoy,0,-5.96909,-7.1,-0.55,-6.309050954924434
O[C@@H](CNc1cccc2c1CCCC2)Cn1cccn1,C37875802_decoy,ADA,Decoy,0,-7.58918,-8.21,-0.82,-7.834238811224252
CCCOc1nc(N2CCC[C@H]2CC)ccc1N,C37912942_decoy,ADA,Decoy,0,-6.85545,-6.93,-0.78,-8.341107057419233
CC(C)Oc1nc(N(C)CC2CC2)ccc1N,C37925007_decoy,ADA,Decoy,0,-5.96531,-6.05,-0.78,-5.104752380173297
OCCSc1nnc(Nc2ccccc2)s1,C02484850_decoy,ADA,Decoy,0,-7.43046,-7.23,-0.2,-6.589702118073348
CC(C)CNC(=O)[C@H](C)Nc1cccc(F)c1C#N,C36157934_decoy,ADA,Decoy,0,-8.43983,-6.36,-1.64,-6.037779169927688
CC(C)CNC(=O)[C@@H](C)Nc1cccc(C#N)c1,C20316161_decoy,ADA,Decoy,0,-7.05637,-5.69,-1.14,-5.241112733613739
C/C(=N\NC(=S)Nc1cccc(C)c1)c1ccco1,C13545077_decoy,ADA,Decoy,0,-7.59571,-6.82,-0.69,-6.830333303532362
Cc1ccccc1NCCc1n[nH]c(C2CCCC2)n1,C41161542_decoy,ADA,Decoy,0,-6.73616,-7.42,-0.05,-7.161523048765448
CCC(CC)[NH2+][C@@]1(C(=O)[O-])CCOc2ccccc21,C41735590_decoy,ADA,Decoy,0,-5.86812,-6.36,-0.83,-6.739595734737227
CCC[C@H](C)[NH2+][C@@]1(C(=O)[O-])CCOc2ccccc21,C41750320_decoy,ADA,Decoy,0,-5.70012,-6.76,-2.09,-6.44808200240916
Cc1ccccc1[C@](C)([NH2+][C@@H](C)c1ccco1)C(=O)[O-],C41803101_decoy,ADA,Decoy,0,-6.86894,-6.99,-1.25,-7.496487195077546
CC(C)CNC(=O)N[C@H](c1ccccc1)c1ccco1,C42948142_decoy,ADA,Decoy,0,-6.45488,-6.26,-2.47,-4.876396849824229
COCC[C@@H](C)Nc1ccc2c(c1)CCC(=O)N2,C45024395_decoy,ADA,Decoy,0,-7.02953,-6.35,-0.81,-6.570444028096135
COc1ccc(OC[C@@](N)(C#N)c2ccccc2)cc1,C45212365_decoy,ADA,Decoy,0,-8.40184,-8.14,-0.89,-10.339651361167522
Cc1ccsc1CNC(=O)NCCc1ccco1,C45544343_decoy,ADA,Decoy,0,-7.34874,-5.64,-0.56,-5.041959126878068
CCc1c(Cc2ccc(C=O)[nH]2)[nH]c(C=O)c1C,C45817561_decoy,ADA,Decoy,0,-5.31626,-6.47,-1.7,-5.237280971279184
O=C(NCCc1ccco1)NCC1CCCC1,C46886425_decoy,ADA,Decoy,0,-5.96445,-5.17,-0.18,-4.025367695838447
Nc1ccccc1OCC(=O)OC1CCCCC1,C48671303_decoy,ADA,Decoy,0,-6.10162,-5.87,-0.53,-4.852112106205339
CC(C)C(=O)NNC(=O)C[C@H](C)c1ccc(F)cc1,C48708314_decoy,ADA,Decoy,0,-6.0344,-7.32,-0.47,-6.514901894814411
CC[C@H](NC(=O)NC[C@@H]1CCOC1)c1cccs1,C49242944_decoy,ADA,Decoy,0,-7.24425,-5.65,-0.8,-5.136440533146871
O=C(CNC(=O)C1CCCC1)NC[C@H]1CC=CCC1,C49295241_decoy,ADA,Decoy,0,-7.05794,-6.07,-1.34,-5.048549473300834
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C=C1CCCCC1,C49430105_decoy,ADA,Decoy,0,-6.70893,-5.9,-0.8,-4.7478315590684845
Cc1ccc(C#N)cc1NCC(=O)N[C@H](C)C(C)C,C49488092_decoy,ADA,Decoy,0,-7.02378,-5.88,-1.41,-5.153282178682021
Cc1ccc([C@H](C)[NH2+][C@H](C(=O)[O-])c2ccccc2)o1,C50507725_decoy,ADA,Decoy,0,-6.62933,-5.22,-0.57,-4.813264365198296
CCNc1ccc(C(=O)N[C@@H](C)c2ccc(C)o2)cc1,C50777897_decoy,ADA,Decoy,0,-6.72281,-7.91,-0.35,-9.913927664081028
CC[C@@H](C)SCc1ccc(N)c([N+](=O)[O-])c1,C50837456_decoy,ADA,Decoy,0,-5.96592,-6.72,-0.99,-8.36377129825675
COC[C@@H](C)Nc1ccc(-c2cc[nH]n2)cc1,C53174103_decoy,ADA,Decoy,0,-6.11586,-5.86,-0.43,-5.114197537320116
CC[NH+]1CC[C@@H](CNc2ccc(C(=O)[O-])cc2C)C1,C54528183_decoy,ADA,Decoy,0,-6.8065,-6.37,-1.15,-4.949320484415765
CCC1(CC)CN(CCCO)c2ccc(O)cc2O1,C58004772_decoy,ADA,Decoy,0,-7.79631,-7.0,-0.75,-6.699810914619173
NC(=O)c1ccc(C(=O)OC[C@@H]2CC=CCC2)cc1,C58999855_decoy,ADA,Decoy,0,-7.00215,-6.96,-1.74,-6.365594300274831
CC(C)NC(=O)NCCO[C@H]1CCCC[C@H]1C,C59034665_decoy,ADA,Decoy,0,-6.66699,-5.39,-0.78,-4.756478788318406
Cc1cc(C(=O)[O-])ccc1NCC(C)(C)[NH+](C)C,C54532189_decoy,ADA,Decoy,0,-6.65266,-6.36,-0.45,-5.281594727925761
CN(CCOc1ccccc1N)c1ccc(C#N)cc1,C61949680_decoy,ADA,Decoy,0,-7.22693,-6.95,-0.47,-6.9822877853683405
CCCNS(=O)(=O)NC1CCCCCC1,C62094627_decoy,ADA,Decoy,0,-7.52086,-5.41,-0.44,-4.922544398774492
CC(C)OCCNC(=O)NC1CCCCC1,C62108604_decoy,ADA,Decoy,0,-6.10543,-4.95,-0.45,-4.206053528394044
COCCNc1[nH]nc2c1[C@@H](C)CC[C@@H]2C(C)C,C62669783_decoy,ADA,Decoy,0,-7.01519,-6.6,0.42,-6.685225351913572
C=CCNC(=S)Nc1n[nH]c2nc(C)cc(C)c12,C04171210_decoy,ADA,Decoy,0,-7.42999,-7.07,-0.53,-7.843554888868684
Cc1ccccc1NCC(=O)N/N=C/c1ccc[nH]1,C00261683_decoy,ADA,Decoy,0,-6.90474,-6.67,-0.87,-6.861480385725752
C[C@@H](OC(=O)c1ccc(N)cc1)C(=O)NC1CCCC1,C05709221_decoy,ADA,Decoy,0,-6.97727,-6.37,-1.31,-6.09088864720172
CC(C)C(=O)NC(=S)NNC(=O)C1CCCCC1,C08557975_decoy,ADA,Decoy,0,-7.62521,-5.77,-1.63,-5.293160905560146
C[C@@H](OC(=O)c1ccc(F)cc1N)C(=O)NC(C)(C)C,C12797806_decoy,ADA,Decoy,0,-5.88899,-5.83,-0.79,-4.701915952281454
CCOc1ccccc1CNc1ccc2[nH]c(=O)[nH]c2c1,C20094720_decoy,ADA,Decoy,0,-6.53765,-6.96,-1.63,-5.401891951573792
CCN(CC)c1ccc(S(=O)(=O)NC)cc1N,C35333728_decoy,ADA,Decoy,0,-6.98519,-6.45,-0.06,-12.665977261715492
CNS(=O)(=O)c1ccc(N[C@H](C)CO)cc1,C35606823_decoy,ADA,Decoy,0,-7.57079,-6.32,-0.59,-7.243719894951012
CC(C)(CO)NC(=O)CNC(=O)C(C)(C)C,C35608032_decoy,ADA,Decoy,0,-5.71586,-4.84,-1.39,-4.020119768853712
COC(=O)NNC(=S)N[C@H]1C[C@@H]2CC[C@H]1C2,C36424852_decoy,ADA,Decoy,0,-6.59951,-6.45,-0.63,-6.2568528949334175
CCOc1nc(NCc2ccncc2)ccc1N,C37067114_decoy,ADA,Decoy,0,-7.40806,-6.22,-0.34,-6.028939180921214
NC(=O)[C@@H](NCC(F)(F)F)c1ccc2c(c1)OCO2,C37972889_decoy,ADA,Decoy,0,-5.04564,-7.15,-0.5,-6.764418796969721
COc1ccc(S(N)(=O)=O)cc1N[C@@H](C)C(C)C,C37134998_decoy,ADA,Decoy,0,-7.61208,-6.78,-0.85,-7.175338496388264
CCCN(Cc1ccc(C#N)cc1)C(=O)c1cc(N)c[nH]1,C40324073_decoy,ADA,Decoy,0,-6.11033,-7.52,0.07,-6.063443453058224
CCNC(=O)C[NH2+][C@]1(C(=O)[O-])CCc2ccccc21,C41802817_decoy,ADA,Decoy,0,-7.71437,-7.46,-3.23,-7.8070509436336835
CCNC(=O)CN(CC)C(=O)c1cc(N)c(C)c(F)c1,C42270747_decoy,ADA,Decoy,0,-5.43634,-6.95,-0.66,-6.5915695860813575
CCN(CC/C(N)=N/O)C(=O)[C@@H]1C[C@H]2CC[C@@H]1C2,C42453952_decoy,ADA,Decoy,0,-8.65005,-7.6,-0.21,-8.140889075412577
O=C(CC[C@H]1CCC[NH2+]C1)Nc1ccccc1C(=O)[O-],C43590690_decoy,ADA,Decoy,0,-7.58501,-7.54,-1.02,-7.073525364278817
CC[NH2+]CC(=O)Nc1ccc(F)cc1C(=O)[O-],C44650993_decoy,ADA,Decoy,0,-5.49798,-6.67,0.07,-6.8029444653008415
CC[C@H]1CCCN(C(=O)C(CC)(CC)/C(N)=N/O)C1,C44785356_decoy,ADA,Decoy,0,-7.7928,-6.5,-1.0,-8.37023651401281
CC(C)N(CC1CC1)C(=O)C(C)(C)/C(N)=N/O,C44792021_decoy,ADA,Decoy,0,-6.82513,-6.8,0.01,-9.567401481282822
CCC[C@H](C(=O)N1CCC[C@H]1CC)/C(N)=N/O,C44871113_decoy,ADA,Decoy,0,-8.96588,-6.78,-0.77,-9.487486162947338
CCC[C@@H](C(=O)N1CCC[C@H]1C1CCCC1)/C(N)=N/O,C45091515_decoy,ADA,Decoy,0,-7.84961,-8.37,-0.23,-10.323957655669236
CC(C)NC(=O)CNC(=O)NCC1CCCC1,C46888139_decoy,ADA,Decoy,0,-6.17096,-5.42,-0.85,-4.6466322239079645
CCC[C@H](NC(N)=O)C(=O)N1CCC[C@H](CC)C1,C49114514_decoy,ADA,Decoy,0,-8.2769,-5.99,-1.66,-7.477431824938806
CCNC(=O)NNC(=O)C=C(C1CC1)C1CC1,C49183181_decoy,ADA,Decoy,0,-6.27111,-7.08,-1.21,-6.720222842385745
C[C@@H](NC(=O)NCC1CCCC1)C(=O)NC1CCCC1,C49338502_decoy,ADA,Decoy,0,-7.35664,-6.42,-0.67,-6.168470526795697
CCOC(=O)[C@@H](C)NC(=O)c1ccc(F)c(N)c1,C49366856_decoy,ADA,Decoy,0,-6.49162,-5.58,-0.3,-5.423117997916279
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)NC1CCCC1,C49445091_decoy,ADA,Decoy,0,-6.42447,-2.58,-1.13,-3.4235905131124493
COCc1cc(NN)nc(Cc2cc(F)cc(F)c2)n1,C51700626_decoy,ADA,Decoy,0,-9.41848,-7.46,-0.69,-9.97358998148487
CC(C)(C)C(=O)NCCC(=O)N[C@@H]1CCCC[C@H]1O,C51994328_decoy,ADA,Decoy,0,-6.83791,-7.33,-0.74,-7.311304398024909
O=C(CCNC(=O)C1CCCC1)N[C@@H]1CCCC[C@H]1O,C51997076_decoy,ADA,Decoy,0,-7.43766,-5.78,-0.5,-5.279740517636241
COC[C@H](C)Nc1cc(S(N)(=O)=O)cc(C)c1C,C53173301_decoy,ADA,Decoy,0,-7.51158,-7.72,-0.55,-9.05484956145998
COC[C@H](C)Nc1cc(S(N)(=O)=O)ccc1C,C53174424_decoy,ADA,Decoy,0,-7.52049,-6.38,-1.81,-6.2783319582634345
O=C([O-])c1cccc(F)c1NCCN1CC[NH2+]CC1,C54189799_decoy,ADA,Decoy,0,-6.08994,-7.79,-1.68,-6.676437798629583
C=CCCC(=O)Nc1ccc(S(N)(=O)=O)cc1F,C54401357_decoy,ADA,Decoy,0,-7.48267,-7.34,-0.6,-9.786477659797653
CNC(=S)N/N=C/c1ccc(O)c(OC)c1,C15900555_decoy,ADA,Decoy,0,-7.14907,-6.47,-0.67,-5.718657101026307
CC(C)Oc1nc(N2CCCC[C@@H]2CCO)ccc1N,C57411842_decoy,ADA,Decoy,0,-8.52969,-6.41,-2.09,-7.078942760751163
COC(=O)NNC(=S)Nc1ccc(F)cc1F,C07061088_decoy,ADA,Decoy,0,-6.34484,-6.6,-0.47,-5.82126406929649
CCCc1nc(SCC[NH3+])nc([O-])c1C#N,C57840644_decoy,ADA,Decoy,0,-7.83588,-5.26,-0.43,-8.343888464204156
CC(C)(C)Oc1nc(NC[C@H]2CCOC2)ccc1N,C61146702_decoy,ADA,Decoy,0,-6.54645,-6.9,-1.86,-6.139020149080404
Nc1ccc(CCSc2n[nH]c(=O)n2C2CC2)cc1,C61594495_decoy,ADA,Decoy,0,-8.1912,-7.64,-1.05,-7.123401009676133
Cc1ccccc1NC(=O)C(=O)NC[C@](C)(O)C1CC1,C61976623_decoy,ADA,Decoy,0,-7.25989,-5.82,-0.94,-5.178909270126806
C[C@H](c1ccccc1F)N(C)Cc1nnsc1NN,C62017517_decoy,ADA,Decoy,0,-10.0238,-7.78,-0.9,-9.569114413872796
Nc1ccccc1OCCNC(=O)[C@H]1CCCOC1,C62192940_decoy,ADA,Decoy,0,-5.50785,-6.05,-0.62,-4.485027938506875
Cc1cc2cc(CNS(=O)(=O)NC(C)C)ccc2[nH]1,C62274648_decoy,ADA,Decoy,0,-7.98049,-6.08,-0.51,-6.249230985225245
CCC[C@](C)([NH3+])C(=O)N1CCC[C@@](CC)(C(=O)[O-])C1,C62870867_decoy,ADA,Decoy,0,-7.61116,-6.49,-0.49,-6.724765904080064
CCC[C@](C)([NH3+])C(=O)N1CCC[C@](CC)(C(=O)[O-])C1,C62870869_decoy,ADA,Decoy,0,-5.71576,-6.98,-1.4,-6.760657962173683
C[C@]1(C(=O)N[C@H](CC(=O)[O-])c2cccs2)CC[NH2+]C1,C62893469_decoy,ADA,Decoy,0,-7.59769,-7.56,-0.02,-9.196881717925264
NC(=O)CSc1n[nH]c(/C=C/c2cccs2)n1,C12760169_decoy,ADA,Decoy,0,-8.25537,-6.89,-0.46,-8.732682547558943
CC(C)(C)CN1CCC[C@@](O)(C[NH2+]C(C)(C)C)C1=O,C12373081_decoy,ADA,Decoy,0,-6.72747,-7.12,-0.78,-7.558357531528766
COc1ccc([C@H]([NH3+])c2ccccc2OC)cc1OC,C19414859_decoy,ADA,Decoy,0,-6.01072,-7.25,-0.51,-5.7033033398834965
CCc1ccc([N+](=O)[O-])cc1[C@@H]([NH3+])CC(C)(C)C,C19970181_decoy,ADA,Decoy,0,-7.22419,-4.66,0.21,-4.636065568194448
C=CC/[NH+]=C(\N)SCC(=O)N1C[C@H](C)C[C@@H](C)C1,C29476536_decoy,ADA,Decoy,0,-7.80081,-6.75,-0.59,-7.074690723511177
CC(C)CC(=O)N1CCC(O)(C[NH2+]C(C)(C)C)CC1,C32118363_decoy,ADA,Decoy,0,-6.54516,-4.82,-0.64,-4.203702991853471
C[C@H]([NH2+][C@@H](C)c1ccco1)C(=O)NC1CCCC1,C35139214_decoy,ADA,Decoy,0,-6.4201,-5.95,-1.72,-5.0562339683896536
COc1cccc(OC)c1O[C@H]1CCCC[C@@H]1C[NH3+],C35236029_decoy,ADA,Decoy,0,-6.16291,-5.93,-1.34,-5.600299498865889
CO[C@H]1C[NH2+]C[C@@H]1NC(=O)CCC1CCCCC1,C36235972_decoy,ADA,Decoy,0,-6.93447,-6.96,-1.15,-7.210191139985535
C[C@H](C1CC1)N(C)S(=O)(=O)c1ccc(C[NH3+])s1,C36786245_decoy,ADA,Decoy,0,-7.81122,-6.76,-0.04,-10.58358811007513
CCOc1ccc(OCC)c(N2CC[C@H]([NH3+])C2)c1,C37240941_decoy,ADA,Decoy,0,-6.80816,-5.25,-0.92,-5.138536067840475
CS(=O)(=O)NCC[NH2+][C@H]1CC[C@H]2CCCC[C@@H]2C1,C37241568_decoy,ADA,Decoy,0,-7.85658,-6.99,-1.16,-6.9838358832358
C[C@@H]1CCC[C@H]([NH2+][C@@H](C)C(=O)NCc2ccco2)C1,C37255266_decoy,ADA,Decoy,0,-7.09678,-7.24,-0.45,-7.605121243078769
CCC(C)(C)[C@@H]1CC[C@@H](C#N)[C@H]([NH+](C)CC(N)=O)C1,C37268452_decoy,ADA,Decoy,0,-9.09474,-6.82,-0.09,-7.287592044761737
Cc1ccc(CN(C(=O)C[C@H](C)[NH3+])C(C)C)o1,C37817026_decoy,ADA,Decoy,0,-6.04029,-6.15,-2.01,-6.191562215286779
C[C@H]([NH2+]Cc1nc[nH]n1)c1ccc(C(C)(C)C)cc1,C37919369_decoy,ADA,Decoy,0,-7.84207,-7.79,-0.67,-7.753897682030024
Cc1cc([C@H](C#N)NCC[NH+](C)C)cc(C)c1O,C37940821_decoy,ADA,Decoy,0,-7.85181,-7.11,-1.3,-6.834602405060268
O=C(C[NH2+]C[C@@H]1CCCOC1)NC1CCCCC1,C38045912_decoy,ADA,Decoy,0,-7.17514,-5.5,-1.89,-4.893061874981137
CC(C)NC(=O)[C@H](C)[NH2+][C@H](C)c1ccc(C#N)cc1,C37749542_decoy,ADA,Decoy,0,-6.83576,-6.02,-0.8,-5.054132972918315
CCC[C@](C)([NH3+])c1nc(CC(F)(F)F)no1,C42413053_decoy,ADA,Decoy,0,-4.96454,-4.67,0.36,-3.712533855190234
CC[C@H]1CC[C@H](C#N)[C@H]([NH+](CC(N)=O)C(C)C)C1,C42428882_decoy,ADA,Decoy,0,-7.58831,-7.18,0.2,-6.619865579363129
CC[C@@H]([NH3+])[C@@H](O[C@@H]1CCCC[C@@H]1C)c1cnn(C)c1,C43234842_decoy,ADA,Decoy,0,-6.76152,-7.23,-0.08,-16.133402242105248
COc1ccc(N[C@H]2CCC[NH2+]C2)cc1OC(F)F,C43326680_decoy,ADA,Decoy,0,-6.08271,-7.14,-2.3,-5.776110964951148
CC[C@H]1CO[C@@H](C)CN1[C@@H](c1ccco1)[C@H]([NH3+])CC,C43334979_decoy,ADA,Decoy,0,-6.10941,-6.24,-0.72,-5.867198589542306
COc1ccccc1O[C@@H](c1ccc(C)o1)[C@H](C)[NH3+],C43366091_decoy,ADA,Decoy,0,-6.27095,-6.6,-1.01,-5.536847352554653
[NH3+]CCCc1ccc(C(F)(F)F)cc1[N+](=O)[O-],C44281230_decoy,ADA,Decoy,0,-3.06677,-6.48,-0.23,-4.5143420284328055
COC(=O)[C@](C)(N)C[NH+]1CCC[C@@H]1C1CCCC1,C45277350_decoy,ADA,Decoy,0,-7.07995,-7.02,-0.78,-7.1316071600840685
CC1(C)COCCN1CCOc1ccccc1C[NH3+],C48926447_decoy,ADA,Decoy,0,-7.14164,-5.63,-0.45,-4.9150114900407
CC[C@H]1CCCC[C@H]1NS(=O)(=O)C[C@@H]1CCC[NH2+]1,C49645420_decoy,ADA,Decoy,0,-7.76371,-6.32,-1.53,-9.231622290987485
O=C(C[NH+]1CCCC[C@@H]1CCO)NC1CCCCC1,C49801222_decoy,ADA,Decoy,0,-7.44185,-6.63,-0.7,-6.709289643237718
CC[C@@](C)(C[NH3+])N(C)S(=O)(=O)c1ccc(C)cc1,C50093384_decoy,ADA,Decoy,0,-6.33549,-6.4,-1.75,-7.476685458476146
[NH3+][C@H](c1ccccc1)c1nnc(CCC2CCCC2)o1,C50283989_decoy,ADA,Decoy,0,-8.04184,-5.52,-0.71,-4.886391145732775
CO[C@@H]1CCC[C@H]1NC(=O)C[NH2+]C1CCCC1,C50373972_decoy,ADA,Decoy,0,-6.79089,-4.96,-0.64,-4.482499605383828
CC[NH2+][C@@H](Cc1ncc[nH]1)c1ccc2c(c1)CCO2,C50892163_decoy,ADA,Decoy,0,-6.50071,-7.18,-0.61,-6.912384954983601
C[NH2+][C@H](C)c1cccc(S(=O)(=O)N[C@@H]2C[C@@H]2C)c1,C52295391_decoy,ADA,Decoy,0,-7.42852,-6.1,-2.08,-5.466079063989147
CC[C@@H](NC(=O)[C@@H]1C[C@H](OC)C[NH2+]1)C1CCCCC1,C52342871_decoy,ADA,Decoy,0,-7.18945,-7.07,-1.87,-8.440758905410592
COc1cccc(N(C)Cc2cc(C[NH3+])oc2C)c1,C52516742_decoy,ADA,Decoy,0,-7.60978,-6.57,-0.43,-6.672976734347226
COc1ccc(OCc2cc(C[NH3+])oc2C)cc1,C52676731_decoy,ADA,Decoy,0,-7.75067,-6.47,-0.42,-9.478207801355998
O=C(COC[C@H]1CC[NH2+]C1)NC1CCCCCC1,C53341861_decoy,ADA,Decoy,0,-7.03429,-5.74,-0.4,-4.9176682741658535
CC[NH2+]C1CCN(CC(=O)NC2CCCCC2)CC1,C37536952_decoy,ADA,Decoy,0,-7.03033,-6.66,-0.15,-9.030762327611953
O=C(C[NH2+]CC1CC1)Nc1nc2c(s1)CCCC2,C49559581_decoy,ADA,Decoy,0,-7.50436,-5.87,-0.67,-5.227817071626975
Cc1cc(C)c2c(c1)[C@H](NCC[NH+](C)C(C)C)C(=O)N2,C54111474_decoy,ADA,Decoy,0,-7.38438,-6.67,-0.27,-6.837058859228398
CC[NH2+]C[C@@H](C)c1n[nH]c(-c2ccccc2)n1,C61221420_decoy,ADA,Decoy,0,-5.98846,-5.2,0.22,-4.27872437201734
CC[C@H](C)NC(=O)NC[C@H](C)[NH+]1CCCCC1,C62349035_decoy,ADA,Decoy,0,-6.44373,-5.23,-1.15,-4.805708311788458
CCC[NH2+][C@@H](c1cn[nH]c1)c1ccc2c(c1)C[C@@H](C)O2,C62777010_decoy,ADA,Decoy,0,-6.79196,-8.02,-1.41,-7.614104520150379
CCC[C@@]1(C(=O)N[C@@H]2CCC[C@@H]2OC)CCC[NH2+]C1,C62860731_decoy,ADA,Decoy,0,-6.89618,-5.43,-1.33,-4.985572995687663
Nc1ccccc1OCCN1CC[C@@H]([NH+]2CCCC2)C1,C62977348_decoy,ADA,Decoy,0,-6.92444,-5.24,-0.81,-4.443533746696926
CC[C@H](C)NC(=O)C[NH+]1CCCC[C@@H]1[C@@H]1CCCN1,C63190293_decoy,ADA,Decoy,0,-7.22501,-5.37,-1.66,-5.048884595802937
C[C@@H]([NH3+])[C@@H]1CCCCN1CCOc1ccc(C#N)cc1,C63195318_decoy,ADA,Decoy,0,-9.56043,-7.32,-0.8,-7.954674087559965
c1ccc(N2CC[C@H](C[NH2+]Cc3cc[nH]n3)C2)cc1,C66972217_decoy,ADA,Decoy,0,-6.53925,-6.97,-0.32,-8.542037001242768
CC[NH+]1CCC(CNC(=O)NCC(F)(F)F)CC1,C67541433_decoy,ADA,Decoy,0,-5.28956,-4.79,-0.92,-3.778400656211761
C=CCNC(=O)NC(=O)CNc1ccc(Br)cc1,C05090120_decoy,ADA,Decoy,0,-7.49453,-6.83,-0.62,-8.610402517494542
COC(C)(C)C[C@H](C)Nc1ccc2[nH]c(=O)[nH]c2c1,C20524496_decoy,ADA,Decoy,0,-6.46647,-6.73,-1.03,-6.716028138100877
COc1cc(Nc2ccc(N)cc2Cl)cc(OC)c1OC,C20584911_decoy,ADA,Decoy,0,-7.25178,-7.2,-0.58,-6.66008243794328
CCOc1ccccc1NS(=O)(=O)c1ccc(F)c(N)c1,C21010877_decoy,ADA,Decoy,0,-7.52019,-7.41,-0.62,-6.863379628232243
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=S)NNC(=O)c1ccccn1,C27255826_decoy,ADA,Decoy,0,-8.14149,-6.41,-0.56,-6.24859884038256
Cc1ccoc1C(=O)NNC(=S)N[C@@H]1CCC[C@H](C)[C@H]1C,C31543981_decoy,ADA,Decoy,0,-8.09742,-6.43,-0.78,-5.276041210974364
Cc1ccoc1C(=O)NNC(=S)N[C@H]1CCC[C@H](C)[C@H]1C,C31543991_decoy,ADA,Decoy,0,-7.95876,-6.07,-0.73,-5.4790295014217545
Cc1c(C(=O)OC(C)C)sc(N)c1C(=O)NC1CCCC1,C36224860_decoy,ADA,Decoy,0,-8.36096,-6.55,-0.45,-5.98135374389638
CCOc1ccc(S(=O)(=O)Nc2cc(N)ccc2F)cc1,C36296046_decoy,ADA,Decoy,0,-7.63156,-7.23,-2.05,-7.408295160228072
C[C@@H](Nc1ccc(NS(C)(=O)=O)cc1)c1cccc(O)c1,C37077079_decoy,ADA,Decoy,0,-7.80197,-7.86,-0.62,-9.479646295500674
C/C(=C\C(=O)Nc1ccc(C)cc1C)NNC(=O)C(C)C,C37866669_decoy,ADA,Decoy,0,-7.38657,-6.45,-0.4,-5.81429078375968
CC(C)C(=O)Nc1ccc(N[C@@H](C)c2cc[nH]n2)cc1,C37907383_decoy,ADA,Decoy,0,-6.00086,-7.32,-0.36,-6.819124067627875
Cc1ccc(N)c(C)c1S(=O)(=O)NCCc1ccco1,C40347528_decoy,ADA,Decoy,0,-6.68642,-6.45,-1.25,-5.369754090251372
O=C(C[NH2+]C1CCCC1)Nc1cc(Cl)ccc1C(=O)[O-],C40471622_decoy,ADA,Decoy,0,-6.67519,-7.69,-0.52,-7.39842302966832
C=CCNc1ncnc(Oc2ccc(Cl)c(C)c2)c1N,C40709107_decoy,ADA,Decoy,0,-7.19159,-8.02,-1.0,-7.690736972941993
C[C@@H](OC(=O)c1ccc(F)c(N)c1)C(=O)NC1CCCC1,C41097578_decoy,ADA,Decoy,0,-8.52434,-6.1,-1.36,-5.733786362380042
Cc1cccc(N)c1C(=O)O[C@H](C)C(=O)NC1CCCC1,C41100039_decoy,ADA,Decoy,0,-6.3778,-6.16,-2.0,-4.910380101980268
C[C@H](OC(=O)c1sccc1N)C(=O)NC1CCCCC1,C41102130_decoy,ADA,Decoy,0,-6.99382,-7.66,-1.14,-6.879813429054807
CCOc1cc(CCC(=O)N2CCCC[C@H]2C)cc(N)c1O,C41139573_decoy,ADA,Decoy,0,-7.36073,-7.87,-0.33,-7.439048425301653
CCN(C[C@H](C)/C(N)=N/O)C(=O)c1cc2c(s1)CCCC2,C42446024_decoy,ADA,Decoy,0,-8.36233,-7.79,-0.92,-9.917100092729749
CCCN(CC(F)(F)F)c1cc2nc[nH]c(=O)c2cc1N,C42741255_decoy,ADA,Decoy,0,-6.931,-7.86,-0.04,-9.84727124035358
CC[C@@H]([NH3+])[C@@H](Sc1nc(C)cc([O-])n1)c1ccc(C)o1,C43367372_decoy,ADA,Decoy,0,-9.27645,-7.4,-0.62,-8.017956039920877
CC(C)C[C@H](C)N(C)C(=O)C1(/C(N)=N/O)CCCCC1,C44791935_decoy,ADA,Decoy,0,-8.1104,-8.29,-0.4,-11.349567775872158
CC(C)[C@@H](C(=O)N(C)[C@@H](C)c1cccs1)/C(N)=N/O,C44877502_decoy,ADA,Decoy,0,-8.38051,-7.52,-0.85,-8.779617584790472
CCC(CC)(C(=O)N1CCC[C@@H]1C1CCCC1)/C(N)=N/O,C45091492_decoy,ADA,Decoy,0,-7.5877,-8.1,-0.94,-9.381053835398662
CC(=O)NCCNC(=O)N[C@H]1CCCC[C@H]1C(C)(C)C,C47819932_decoy,ADA,Decoy,0,-6.79142,-6.93,-0.37,-7.295393048269395
Cc1ccc(C(=O)NNC(=S)N[C@H]2CCC[C@@H](C)[C@@H]2C)o1,C47872218_decoy,ADA,Decoy,0,-7.9189,-7.88,-0.65,-7.804633279156135
CCC[C@@H](NC(N)=O)C(=O)N(C)C1CCCCCC1,C49106109_decoy,ADA,Decoy,0,-7.89002,-7.18,0.02,-8.171339401010028
CC(C)=C[C@H]1[C@@H](C(=O)NNC(=O)NCC(C)C)C1(C)C,C49163520_decoy,ADA,Decoy,0,-7.22414,-7.81,-1.35,-8.19979413231163
CCCNC(=O)NNC(=O)[C@H]1[C@@H](C=C(C)C)C1(C)C,C49279504_decoy,ADA,Decoy,0,-7.07903,-7.82,-0.77,-11.11672653454912
COCCc1nc(N)cc(Nc2ccc(Cl)cc2)n1,C49467714_decoy,ADA,Decoy,0,-7.12816,-6.45,-0.09,-5.846324425810578
CCCC1CCC(NC(=O)Cn2nc(C)c(N)c2C)CC1,C49540709_decoy,ADA,Decoy,0,-6.97656,-6.22,-1.12,-5.474259360409765
CCC[C@H](C(=O)N1CCC(C(C)(C)C)CC1)/C(N)=N/O,C50349282_decoy,ADA,Decoy,0,-8.13909,-8.19,-0.97,-9.135286215006015
CCc1ccccc1OCc1nnsc1NN,C51149543_decoy,ADA,Decoy,0,-7.91313,-6.88,-0.98,-7.156346326769143
CC(C)(C)c1cccc(OCc2nnsc2NN)c1,C51149556_decoy,ADA,Decoy,0,-9.23629,-7.62,-0.59,-7.942557195268675
CCc1c(C)nc(-c2ccc(OC(C)C)cc2)nc1NN,C51168559_decoy,ADA,Decoy,0,-8.97556,-7.84,-0.43,-7.801357663046602
Nc1cc([N+](=O)[O-])ccc1NCCc1ccc(F)cc1,C52840169_decoy,ADA,Decoy,0,-5.99108,-6.02,-0.8,-4.292069155463919
CC(C)[C@H](Nc1ccc([N+](=O)[O-])cc1N)c1cccs1,C52841056_decoy,ADA,Decoy,0,-7.65069,-6.55,0.59,-9.273036487844475
C[C@H](NC(N)=O)C(=O)N(C)Cc1ccc(-c2ccccc2)cc1,C55992233_decoy,ADA,Decoy,0,-8.21212,-8.92,-0.98,-11.133550574807892
CC(C)(C)c1ccc(C(=O)NCCc2nnc(N)s2)cc1,C20201535_decoy,ADA,Decoy,0,-10.4654,-7.64,-0.5,-9.610312151288504
Cc1cc(N)nc(S[C@H](C(=O)NC(C)(C)C)C(C)C)n1,C60710261_decoy,ADA,Decoy,0,-7.88412,-4.89,-3.45,-4.982847492575212
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C,C62527340_decoy,ADA,Decoy,0,-7.31538,-4.1,-3.17,-4.257063256547076
CCC/C=C/C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1,C63840115_decoy,ADA,Decoy,0,-6.95953,-7.52,-0.93,-7.024080080085215
CC(C)CNC(=O)NNC(=O)C1(c2ccc(F)cc2)CCC1,C65180033_decoy,ADA,Decoy,0,-7.18153,-7.62,-1.89,-9.778017989690918
O=C(NCC1CC1)NNC(=O)C1(c2cccc(F)c2)CCC1,C65192455_decoy,ADA,Decoy,0,-7.57285,-7.63,-0.72,-7.380079269149304
O=C(CCNC(=O)Nc1cccc(F)c1F)NC1CCCC1,C65424752_decoy,ADA,Decoy,0,-6.68489,-7.33,-0.92,-6.747105658892739
CC(C)(NC(=O)CNC(=O)NC1CC1)c1ccc(Cl)cc1,C66772750_decoy,ADA,Decoy,0,-7.34361,-7.0,-2.22,-6.408160696409529
CC(C)CCC(=O)NNC(=O)N[C@@H]1CCCC[C@@H]1C,C67038653_decoy,ADA,Decoy,0,-6.87783,-5.14,-1.62,-4.60355265120373
O=C(CC1CCCCC1)NNC(=O)NC[C@@H]1CC=CCC1,C67103612_decoy,ADA,Decoy,0,-7.9841,-6.17,-1.79,-5.416500911530889
CCCCC1CCC(NC(=O)NNC(C)=O)CC1,C67647267_decoy,ADA,Decoy,0,-6.03946,-7.23,-1.2,-6.064940704038674
O=C(NNC(=S)NC1CC1)c1nc(Cl)ccc1Cl,C15666794_decoy,ADA,Decoy,0,-8.1093,-6.18,-1.11,-5.739960828205501
C[C@H](Nc1cccc(NS(C)(=O)=O)c1)c1ccccc1O,C20551231_decoy,ADA,Decoy,0,-7.70187,-7.72,-1.5,-7.381835098013599
Cc1ccc(C(=O)NNC(=S)Nc2cccc(C)c2C)o1,C21297171_decoy,ADA,Decoy,0,-7.77399,-6.93,-0.59,-7.338586579239788
CC(=O)NCCNC(=O)c1cc2ccc(C(C)(C)C)cc2[nH]1,C29755231_decoy,ADA,Decoy,0,-7.17945,-7.54,-0.91,-7.046170314749649
Nc1cc(C=O)ccc1OCC(=O)NC1CCCCC1,C36225147_decoy,ADA,Decoy,0,-6.66948,-5.97,-0.71,-4.903718076881612
CCOc1ccc(S(=O)(=O)Nc2ccc(N)c(C)c2)cc1,C36295768_decoy,ADA,Decoy,0,-7.42342,-7.05,-0.92,-9.246641454147266
CCOc1ccc(N)cc1S(=O)(=O)Nc1ccccc1F,C36900800_decoy,ADA,Decoy,0,-6.28933,-6.22,-0.81,-4.639922902104746
COc1cc(Cl)c(NCc2ccc(O)c(O)c2)cc1OC,C37043680_decoy,ADA,Decoy,0,-7.86399,-7.4,-0.62,-7.2232568690957235
CCc1ccc(N)cc1S(=O)(=O)Nc1ccccc1OC,C37053704_decoy,ADA,Decoy,0,-7.25395,-6.59,-3.16,-5.382753009675702
CNS(=O)(=O)c1ccc(N[C@H](C)c2ccc(O)cc2)cc1,C37131604_decoy,ADA,Decoy,0,-7.61539,-7.03,-0.69,-6.645321045597987
COc1ccc(S(=O)(=O)NCC2CCCCC2)c(N)c1,C37259630_decoy,ADA,Decoy,0,-7.76391,-8.05,-0.54,-7.636726581786223
CO[C@H]1CCCC[C@H]1Nc1ccc(CS(N)(=O)=O)cc1,C37317795_decoy,ADA,Decoy,0,-9.59429,-7.25,-0.48,-7.950077283560712
CCCOC(=O)Nc1sc2c(c1C(N)=O)CCCC2,C01800731_decoy,ADA,Decoy,0,-7.71273,-5.53,-0.55,-5.723876378158181
COc1ccc(CNS(=O)(=O)C2CCCCC2)cc1N,C38137144_decoy,ADA,Decoy,0,-7.57926,-7.78,-1.75,-7.168410641736371
C[C@@H](OC(=O)c1cc(N)ccc1Cl)C(=O)NC1CCCC1,C41095911_decoy,ADA,Decoy,0,-7.5344,-7.41,-0.41,-6.933663533773298
Cc1cccc(N)c1C(=O)O[C@H](C)C(=O)NC(C)(C)C,C41100033_decoy,ADA,Decoy,0,-6.10909,-7.84,-1.12,-6.732592915123783
CCNC(=O)[C@@H](C)NC(=O)Nc1ccccc1-c1ccccc1,C43328930_decoy,ADA,Decoy,0,-6.38001,-5.61,-4.24,-4.930317619175354
CC(C)C[C@H](C)Oc1nc2c(cc1/C(N)=N/O)CCCC2,C43410682_decoy,ADA,Decoy,0,-9.15639,-8.24,-0.45,-8.901805814380523
CCC(CC)(C(=O)N(C)C1CCCCC1)/C(N)=N/O,C44784267_decoy,ADA,Decoy,0,-6.90301,-7.13,-0.67,-8.827133127795202
CCC[C@H](C(=O)N1CCCC[C@@H]1CC)/C(N)=N/O,C44866435_decoy,ADA,Decoy,0,-7.26419,-6.56,-0.3,-10.054767009903596
CC(C)[C@H](C(=O)N(C)[C@@H](C)c1cccs1)/C(N)=N/O,C44877499_decoy,ADA,Decoy,0,-8.73248,-7.92,-1.59,-9.545240601786324
CCC[C@H](C(=O)N(C)[C@H]1CCCC[C@@H]1C)/C(N)=N/O,C44878684_decoy,ADA,Decoy,0,-7.58361,-7.1,-0.25,-7.041520408504348
O=C(Cc1ccc(Cl)cc1)NNC(=O)NCC1CCC1,C47053591_decoy,ADA,Decoy,0,-8.02094,-7.89,-0.39,-8.688923561853796
CCCNC(=O)NNC(=O)[C@@H]1[C@H](C=C(C)C)C1(C)C,C49279495_decoy,ADA,Decoy,0,-6.83622,-7.86,-1.58,-7.644403823992601
COc1cc(OC)cc([C@H]2[NH+]=C(C)N(CC(C)C)C2=[NH2+])c1,C50987380_decoy,ADA,Decoy,0,-6.96232,-6.7,-0.74,-6.184004608181196
CCC1=[NH+][C@H](c2cc(OC)ccc2OC)C(=[NH2+])N1C(C)C,C50988340_decoy,ADA,Decoy,0,-7.17081,-6.68,-1.93,-7.045140032870136
NNc1ccc(CSc2ccc(F)c(F)c2)cc1[N+](=O)[O-],C51150847_decoy,ADA,Decoy,0,-9.0965,-7.38,-0.19,-8.80376184487741
O=S(=O)(NC1CC1)c1ccccc1N[C@@H]1CCCC[C@H]1O,C52006475_decoy,ADA,Decoy,0,-6.94295,-5.26,-2.17,-4.597976991314756
C[C@@H](NC(=O)C(C)(C)C)C(=O)NC1(CO)CCCCC1,C53095501_decoy,ADA,Decoy,0,-7.68139,-5.62,-0.82,-5.248143093254179
O=C(CCNC(=O)Nc1cc(F)ccc1F)NC1CCCC1,C54352566_decoy,ADA,Decoy,0,-6.50387,-7.84,-0.41,-7.242579855030359
C[C@@H]1CCCC[C@@H]1NC(=O)NCCC(=O)NC1CCCC1,C54752117_decoy,ADA,Decoy,0,-7.27177,-8.04,-1.75,-9.03247960527896
CCOc1nc(Nc2ccc(N(C)C)cc2)ccc1N,C57611149_decoy,ADA,Decoy,0,-7.2886,-7.01,-0.45,-6.456119833360714
COc1c(OC(C)C)cccc1-c1sc(NN)nc1C,C58001872_decoy,ADA,Decoy,0,-10.5006,-7.03,-0.12,-13.125887151858924
CC[C@H]1CN(CC(=O)N[C@@H](C)CC)c2ccc(N)cc2O1,C58303938_decoy,ADA,Decoy,0,-6.82271,-6.14,-0.75,-5.420301839319905
Nc1nnc(CCNC(=O)/C=C/c2ccc(Cl)cc2)s1,C20202025_decoy,ADA,Decoy,0,-11.3629,-7.56,-0.2,-8.39869450518238
CCCc1cc(NN)nc(-c2ccc([C@@H]3C[C@@H]3C)o2)n1,C51168633_decoy,ADA,Decoy,0,-9.0459,-6.5,-0.71,-6.996901879005907
O=C(CNc1ccccc1)NNC(=O)c1ccc(Cl)cc1,C60463289_decoy,ADA,Decoy,0,-6.96826,-7.65,-0.43,-7.662929990183689
C[NH2+]C(C)(C)C(=O)Nc1cc(C(=O)[O-])cc(C(F)(F)F)c1,C61318266_decoy,ADA,Decoy,0,-5.57324,-8.42,-0.36,-8.22577378421685
CC[NH2+]C(C)(C)C(=O)Nc1cc(F)c(F)cc1C(=O)[O-],C61564448_decoy,ADA,Decoy,0,-5.43534,-6.67,-0.4,-6.162295822535202
COc1ccc(N(C)Cc2nc(NN)ccc2Cl)cc1,C61638302_decoy,ADA,Decoy,0,-9.30511,-6.96,-0.78,-7.602432154848428
CCC[C@@]1(C(=O)Nc2ccc(C(=O)[O-])c(Cl)c2)CC[NH2+]C1,C62901140_decoy,ADA,Decoy,0,-7.68115,-7.69,-0.27,-6.838307008783897
CCC1(CC)CCN(S(=O)(=O)c2ccc(NN)cc2)CC1,C62960034_decoy,ADA,Decoy,0,-10.3748,-7.57,-1.22,-8.341520933084587
CCC1(CC)CCN(C(=O)[C@@H](/C(N)=N/O)C(C)C)CC1,C62960561_decoy,ADA,Decoy,0,-8.08161,-8.14,-1.13,-7.871092463201765
N/C(=N/OCC(=O)Nc1cc(F)cc(F)c1)C1CCCCC1,C63458815_decoy,ADA,Decoy,0,-7.05639,-7.86,-0.58,-6.8981263107226525
CC(C)(C)c1ccc(/C=C/C(=O)NNC(=O)NC2CC2)cc1,C64427851_decoy,ADA,Decoy,0,-7.73769,-8.78,-0.16,-14.515986381749652
O=C(NCC1CC1)NNC(=O)c1ccc(-c2ccccc2)cc1,C65197860_decoy,ADA,Decoy,0,-7.06574,-8.39,-0.81,-7.158061539432503
C[C@@H]1[C@H](C)CCC[C@@H]1NC(=O)NCCC(=O)NC1CCCC1,C54752097_decoy,ADA,Decoy,0,-7.49818,-8.34,-1.35,-8.233844390851877
O=C(NNC(=S)NC1CCCC1)c1ccc(Cl)o1,C27254072_decoy,ADA,Decoy,0,-7.78177,-6.6,-0.15,-9.562889469720012
O=C(CCC1CCCCC1)NNC(=O)Nc1ccccc1F,C67035111_decoy,ADA,Decoy,0,-7.643,-8.46,-0.47,-7.957273250362775
Cc1ccccc1CNC(=O)NNC(=O)CC1CCCCC1,C67103711_decoy,ADA,Decoy,0,-8.09984,-9.17,-0.19,-8.885822418903757
C=CCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(F)cc1,C04011365_decoy,ADA,Decoy,0,-6.38428,-7.31,-0.39,-7.118978338429038
N#Cc1nc(CNc2ccccc2)oc1Nc1ccccc1,C00209042_decoy,ADA,Decoy,0,-7.96157,-9.25,-1.4,-8.918102667339822
Cc1cccc(C(=O)O[C@H](C)C(=O)NC2CCCC2)c1O,C03514377_decoy,ADA,Decoy,0,-7.25406,-6.32,-0.53,-5.06472496055892
COC(=O)[C@@H](NC(=O)Nc1cc(C)cc(C)c1)C(C)C,C00538666_decoy,ADA,Decoy,0,-6.86878,-5.71,-1.15,-4.906898662553149
CC(=O)Nc1ccc(C(=O)N/N=C(\C)CC(C)C)cc1,C05481676_decoy,ADA,Decoy,0,-7.27753,-6.97,-0.99,-6.534446121047417
Cc1cc(C)cc(OCC(=O)NNC(=O)C(C)(C)C)c1,C06188773_decoy,ADA,Decoy,0,-6.74978,-8.21,-1.82,-7.664978634958094
O=C(COc1ccc(F)cc1)NNC(=O)C1CCCCC1,C07764948_decoy,ADA,Decoy,0,-6.36963,-8.26,0.17,-7.788716890469732
CCNC(=S)N/N=C/c1ccc2c(c1)OCO2,C02390444_decoy,ADA,Decoy,0,-7.29291,-6.31,-0.49,-7.872682029293122
NC(=S)c1ccc(OCc2ccc([N+](=O)[O-])cc2)cc1,C11950753_decoy,ADA,Decoy,0,-6.94744,-7.75,-1.02,-7.430212698872865
Cc1ccc(/C=N\NC(=O)CNc2ccccc2C)o1,C16671218_decoy,ADA,Decoy,0,-6.7131,-6.42,-1.59,-4.929227562212934
CC[C@@H](CO)Nc1ccc([N+](=O)[O-])cc1Cl,C33012206_decoy,ADA,Decoy,0,-6.2305,-5.96,-0.06,-6.550596023506177
C[C@@H](CO)Nc1ccc(C(F)(F)F)cc1[N+](=O)[O-],C35205655_decoy,ADA,Decoy,0,-4.56713,-6.91,-1.03,-5.75731335905409
CCCc1c([O-])[nH+]c(-c2ccc(OCC)cc2)[nH]c1=O,C35288213_decoy,ADA,Decoy,0,-7.90975,-5.95,-0.79,-6.122330466399736
C[C@H](CCc1ccco1)Nc1ccc2c(c1)C(=O)NC2=O,C35451436_decoy,ADA,Decoy,0,-6.25264,-7.35,-0.34,-5.155362463002892
Cc1ccc([C@H](C)Nc2ccc(NS(C)(=O)=O)cc2)o1,C37077076_decoy,ADA,Decoy,0,-7.48908,-6.6,-0.46,-5.793448321220605
O=[N+]([O-])c1c(F)cccc1NC[C@H](O)c1ccccc1,C37420884_decoy,ADA,Decoy,0,-5.46611,-6.1,-1.55,-4.20061493217984
CC(C)NC(=S)N/N=C/c1ccc2c(c1)OCCO2,C08691221_decoy,ADA,Decoy,0,-7.91704,-6.69,-0.55,-8.789980736727426
Cc1cc(N(C)C)ccc1NC(=O)CNC(=O)[C@@H]1C[C@H]1C,C40111631_decoy,ADA,Decoy,0,-6.94515,-6.75,-3.02,-5.372327996260611
CC(C)(C)[C@H](NS(=O)(=O)c1cn[nH]c1)c1ccccc1,C40826737_decoy,ADA,Decoy,0,-8.26179,-6.93,-0.51,-8.089169157268705
CC(C)C[C@](C(=O)[O-])(c1ccccc1)[NH+]1CCNC(=O)C1,C41845211_decoy,ADA,Decoy,0,-6.04299,-6.64,-0.7,-6.808702448961615
C[C@@H](C#N)CN(C)c1ccc(N)c(OC(C)(C)C)n1,C42455167_decoy,ADA,Decoy,0,-7.40976,-7.13,-1.17,-6.931402963736417
CC(C)CNC(=O)N1CCC[C@@H](C(=O)NCC2CC2)C1,C42946688_decoy,ADA,Decoy,0,-6.62852,-5.28,-0.87,-4.812568358563284
CC(C)Cc1nnc(NC(=O)NC[C@@H]2C[C@H]2C)s1,C43373176_decoy,ADA,Decoy,0,-7.34435,-4.73,0.24,-4.28818206882873
Cc1nnc(NC(=O)NCCCC2CCCCC2)s1,C43407798_decoy,ADA,Decoy,0,-7.04424,-6.74,-4.62,-6.178138590487191
COCCCNC(=O)Nc1nc2c(s1)C[C@H](C)CC2,C43577850_decoy,ADA,Decoy,0,-6.96812,-5.21,-2.38,-4.742146376188107
COc1cc(N)c(C(=O)O[C@H]2CCC[C@H](C)C2)cc1OC,C44375255_decoy,ADA,Decoy,0,-7.07959,-7.28,-0.82,-10.669377590454628
C[C@H]([NH2+][C@H](c1cccs1)C1CCCC1)c1nnn[n-]1,C44926510_decoy,ADA,Decoy,0,-8.65971,-7.03,-1.23,-7.499591758031267
CCCNC(=O)NCCc1ccc2c(c1)OCO2,C47830278_decoy,ADA,Decoy,0,-6.64389,-6.88,-0.9,-7.734748715981095
CCOC(=O)NNC(=O)/C=C/c1ccc(C)cc1,C48089951_decoy,ADA,Decoy,0,-6.22432,-7.47,0.17,-11.096129418198965
Cc1ccc(C)c([C@@H](C)[NH2+]C/C([O-])=N/c2nncs2)c1,C48554346_decoy,ADA,Decoy,0,-7.45622,-6.41,-0.6,-6.188160885926615
Cc1cc(C)cc(OCC(=O)NNC(=O)[C@@H]2C[C@H]2C)c1,C48823057_decoy,ADA,Decoy,0,-6.85406,-7.47,0.04,-7.280041735686552
CCNC(=O)Nc1ccccc1OC[C@@H]1CCCCO1,C48955488_decoy,ADA,Decoy,0,-6.70909,-6.09,-0.87,-5.423026663537344
O=C(NCC(=O)OC1CCCC1)NC1CCCCC1,C49015949_decoy,ADA,Decoy,0,-6.97713,-5.27,-0.37,-4.693041438622401
CCCn1cc(NC(=O)NCC2CCCC2)ccc1=O,C49069749_decoy,ADA,Decoy,0,-6.99062,-7.72,-0.97,-9.44217849673584
CC(C)(C)CCNC(=O)Nc1nnc(C(F)F)s1,C49264348_decoy,ADA,Decoy,0,-6.21875,-6.81,-1.36,-6.942334486711062
CCCC1CCC(NS(=O)(=O)c2cn[nH]c2C)CC1,C49549161_decoy,ADA,Decoy,0,-8.21123,-7.78,-0.87,-8.24744261003131
CCN(Cc1ccc(N)c([N+](=O)[O-])c1)c1cccc(F)c1,C50816034_decoy,ADA,Decoy,0,-5.04062,-8.5,-0.21,-8.133351609481245
C[C@H]1C[C@@H]1NC(=O)c1ccc(NC(=O)OC(C)(C)C)cc1,C52290075_decoy,ADA,Decoy,0,-6.93437,-6.7,-0.25,-6.398085954364021
CCNC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1,C05471980_decoy,ADA,Decoy,0,-6.51459,-2.4,-0.11,-3.078560462533752
CC[C@@H](C)Sc1nnc(NN=C2CCCCC2)[nH]1,C20836525_decoy,ADA,Decoy,0,-8.4294,-6.9,-0.67,-10.415796723478518
CCNC(=O)[C@@H]1CCCN(C(=O)NC(C2CC2)C2CC2)C1,C61858865_decoy,ADA,Decoy,0,-7.08528,-7.51,-2.35,-7.1652635746459135
COc1ccccc1NS(=O)(=O)NC1CCCC1,C62126601_decoy,ADA,Decoy,0,-6.72052,-5.51,-1.08,-4.923552691024427
CCN(CC)C(=O)N[C@H](C)C(=O)Nc1ccccc1F,C62162502_decoy,ADA,Decoy,0,-5.58093,-5.82,-1.42,-4.590696772648087
CCC[C@@]1(C(=O)[O-])CCCN(C(=O)C[C@@H]2CCC[NH2+]2)C1,C62871126_decoy,ADA,Decoy,0,-7.02449,-4.24,-0.44,-4.227593079141156
O=[N+]([O-])c1ccccc1N[C@@H](CO)c1ccccc1,C63001437_decoy,ADA,Decoy,0,-5.71592,-4.97,-1.15,-3.815723140830239
C[C@H](Nc1nccc(C(F)(F)F)n1)C(=O)NC(C)(C)C,C63507426_decoy,ADA,Decoy,0,-4.71734,-5.47,-0.79,-3.648648521155536
O=[N+]([O-])c1cc(F)ccc1NCc1ccc(CO)c(F)c1,C53602005_decoy,ADA,Decoy,0,-5.7356,-5.21,-0.16,-4.058589711900752
CC(C)(C)CC(=O)NCCc1nc2ccccc2c(=O)[nH]1,C65201922_decoy,ADA,Decoy,0,-6.84181,-6.28,-2.16,-4.80594819778646
C=CCNC(=O)N[C@H](C)c1ccc(N2CCOCC2)cc1,C65698312_decoy,ADA,Decoy,0,-6.46924,-5.65,-0.57,-4.982208830396473
CC(C)(C)SCCNc1ncnc2[nH]cnc12,C66817379_decoy,ADA,Decoy,0,-6.46552,-5.97,-0.54,-5.68719195666109
CCCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(C)cc1,C06854581_decoy,ADA,Decoy,0,-7.80503,-6.59,-0.11,-11.929935178840871
O=C(COc1ccc(F)cc1)NNC(=S)NC1CCCC1,C08416391_decoy,ADA,Decoy,0,-7.18855,-5.69,-0.58,-5.940452341529749
C=CCNC(=S)NNC(=O)COc1ccc(Cl)c(C)c1,C06527800_decoy,ADA,Decoy,0,-8.16583,-6.58,-0.6,-11.512340825596413
CC(C)CCNC(=S)NNC(=O)COc1ccccc1F,C15532580_decoy,ADA,Decoy,0,-7.30165,-6.98,-0.79,-7.759938799601371
CCCNC(=S)NNC(=O)COc1cccc(Cl)c1,C15559493_decoy,ADA,Decoy,0,-7.48857,-6.43,-0.31,-9.998806226314644
C[C@@H](Oc1ccc(Cl)cc1)C(=O)NNC(=S)NC1CC1,C15909584_decoy,ADA,Decoy,0,-8.03692,-6.4,-0.74,-6.477528698631677
Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC1CC1,C16267798_decoy,ADA,Decoy,0,-7.94048,-6.35,-1.23,-7.102585517919714
CCc1ccc(C(=O)NNC(=S)NCCCOC)cc1,C16307975_decoy,ADA,Decoy,0,-7.57267,-5.78,-0.62,-7.110776544747455
C=CCNC(=S)NNC(=O)[C@H](C)Oc1ccccc1Cl,C17052627_decoy,ADA,Decoy,0,-8.01889,-5.62,-0.82,-6.17258311760986
CCC(CC)CN(CC)S(=O)(=O)c1ccc(O)c(N)c1,C36196303_decoy,ADA,Decoy,0,-10.2958,-6.7,-0.64,-8.523490284695834
CNS(=O)(=O)c1ccc(N(CC(C)C)CC(C)C)c(N)c1,C36197604_decoy,ADA,Decoy,0,-8.66911,-7.74,-0.52,-14.922222472741964
COC(=O)[C@H](CC(C)C)NC(=O)CSc1ccccc1N,C37035184_decoy,ADA,Decoy,0,-7.93696,-7.1,-1.14,-7.899951221206566
COC(=O)[C@@H](CC(C)C)NC(=O)CSc1ccccc1N,C37035185_decoy,ADA,Decoy,0,-9.15453,-6.17,-0.88,-7.710203325909506
CCC(NNC(=S)NC[C@H]1CCCO1)=C1C=CC(=O)C=C1,C07859100_decoy,ADA,Decoy,0,-7.38768,-6.2,-0.46,-5.772229446200076
N/C(=N\OCC(=O)NCCC1=CCCCC1)C1CCCC1,C40115531_decoy,ADA,Decoy,0,-8.15135,-7.6,-0.85,-7.688833551911291
CCC(CC)(NC(=O)c1cccc(OC)c1OC)C(N)=S,C40359643_decoy,ADA,Decoy,0,-8.51751,-5.92,-0.8,-8.413869478318125
CC(C)C[C@@H](CO)NC(=O)c1ccc(NC(=O)C2CC2)s1,C40792148_decoy,ADA,Decoy,0,-8.67481,-5.81,-0.77,-8.451404194237812
CCC(C)(C)NC(=O)[C@@H](C)OC(=O)Cc1ccc(N)cc1,C41098655_decoy,ADA,Decoy,0,-6.55737,-6.32,-0.68,-5.829585990253404
COc1cccc(OCCNc2ccccc2N)c1OC,C41464686_decoy,ADA,Decoy,0,-7.41937,-6.29,-0.73,-8.739209843290457
CCCNC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccc(SC)cc1,C41805573_decoy,ADA,Decoy,0,-7.22294,-6.97,-0.63,-7.365675470215771
CC[C@H](C(=O)N(CC/C(N)=N/O)C(C)C)c1ccccc1,C42529700_decoy,ADA,Decoy,0,-8.00879,-7.91,0.13,-9.846443481975523
CCCC(CCC)(C(=O)N(C)Cc1ccsc1)/C(N)=N/O,C44867974_decoy,ADA,Decoy,0,-7.8451,-5.92,-0.55,-8.223875351026717
CCCN(CCC)C(=O)Nc1ccccc1CC(N)=O,C44935802_decoy,ADA,Decoy,0,-6.3082,-6.68,-0.81,-7.003421402912438
Cc1ccc(C(=O)NNC(=S)NCCc2cccs2)o1,C45154609_decoy,ADA,Decoy,0,-7.45381,-5.39,-0.19,-5.322600662432205
CCCNC(=S)NNC(=O)CCOc1ccccc1F,C48087940_decoy,ADA,Decoy,0,-7.46942,-6.31,-0.23,-7.388484474197689
CCC[C@]([NH2+][C@@H](C)C(=O)NCC)(C(=O)[O-])c1ccccc1,C49233142_decoy,ADA,Decoy,0,-5.80988,-5.44,-3.38,-4.546265092215641
CCC[C@@]([NH2+][C@H](C)C(=O)NCC)(C(=O)[O-])c1ccccc1,C49233151_decoy,ADA,Decoy,0,-5.46428,-5.55,-1.09,-4.490912665997819
CCNC(=O)[C@H](C)[NH2+][C@](CC)(C(=O)[O-])c1ccc(Cl)cc1,C49233425_decoy,ADA,Decoy,0,-6.23255,-6.61,-3.51,-6.161218343865024
CCC(CC)NC(=O)COC(=O)c1cccc(N)c1C,C49286772_decoy,ADA,Decoy,0,-6.52992,-6.76,-1.02,-7.237049728401343
CCC[C@@H](C)NC(=O)COC(=O)c1ccc(F)c(N)c1,C49289659_decoy,ADA,Decoy,0,-6.03668,-6.95,-0.8,-6.14194607210356
CC(C)CC/C(N)=N/OCC(=O)N[C@H]1CCCC[C@@H]1C,C49322603_decoy,ADA,Decoy,0,-7.46033,-7.23,-1.86,-7.719920962959444
CCC(CC)NC(=O)COC(=O)c1cc(F)c(F)cc1N,C50036642_decoy,ADA,Decoy,0,-6.89946,-7.51,-0.83,-7.351720794638546
CCC(CC)NC(=O)C[NH2+][C@@H](C(=O)[O-])c1ccccc1,C50511585_decoy,ADA,Decoy,0,-6.70579,-5.57,-0.03,-4.9012644327298505
CC[C@H](NCCc1ccc(S(N)(=O)=O)cc1)c1ccco1,C54106495_decoy,ADA,Decoy,0,-8.51226,-7.2,-0.61,-13.980171263769122
CCC(CC)NC(=O)COC(=O)c1ccc(N)c(F)c1,C54413883_decoy,ADA,Decoy,0,-7.99784,-6.64,-0.41,-7.034573816009656
CC[C@@H](C)[C@H](NC(N)=O)C(=O)N(C)CCc1ccc(F)cc1,C55369029_decoy,ADA,Decoy,0,-8.74625,-7.78,-3.28,-10.999522008133612
CCCNC(=O)CNc1ccc(C(=O)NC2CC2)c(Cl)c1,C55873047_decoy,ADA,Decoy,0,-7.57984,-6.56,-0.64,-7.682316033113926
CCCNC(=O)CCNC(=O)N[C@H](c1cccs1)C(C)C,C57299995_decoy,ADA,Decoy,0,-8.04567,-5.27,-0.41,-5.682273371419617
C=CCNC(=S)N/N=C(\C)c1cc(OC)ccc1O,C07011567_decoy,ADA,Decoy,0,-8.43861,-6.6,-0.85,-10.24233287368526
CCOCCCNC(=O)/C=C\c1ccc(OCC)c(N)c1,C57896498_decoy,ADA,Decoy,0,-6.15357,-6.87,-1.48,-6.34712344318388
CN(CC1CCCCC1)C(=O)CCCCCNC(N)=O,C58157183_decoy,ADA,Decoy,0,-7.55742,-6.4,-1.81,-6.925534396033489
CC[NH2+][C@H](C)CC(=O)NC[C@@H](C(=O)[O-])c1ccccc1,C61609044_decoy,ADA,Decoy,0,-6.71211,-5.78,-1.65,-6.239318921843896
CCCNC(=O)c1ccc(NCC(=O)NC2CC2)cc1Cl,C63467990_decoy,ADA,Decoy,0,-7.30697,-5.96,-1.48,-5.862422746002658
CCC[C@H](NC(N)=O)C(=O)N(Cc1sccc1C)C(C)C,C64313565_decoy,ADA,Decoy,0,-9.8272,-6.77,-1.9,-8.756150176391971
C=CCNC(=O)CNc1ccc(C(=O)N[C@@H](C)CC)cc1,C66086537_decoy,ADA,Decoy,0,-6.88743,-6.43,-0.84,-6.340759906467656
COCCCNC(=S)NNC(=O)/C=C/c1ccc(C)cc1,C15910418_decoy,ADA,Decoy,0,-7.9781,-6.26,-0.52,-7.290312675861855
CC[C@H](NC(=O)N(CCC(N)=O)Cc1ccccc1)C(C)C,C66367680_decoy,ADA,Decoy,0,-7.43299,-7.13,-0.84,-8.095238029400528
CC[C@H](NC(=O)NCC(=O)NCC(F)(F)F)C(C)C,C66382943_decoy,ADA,Decoy,0,-5.87073,-6.68,-0.56,-6.762209842043729
CC(C)CCC(=O)NNC(=O)N[C@@H](C)Cc1cccs1,C67045715_decoy,ADA,Decoy,0,-7.63917,-5.89,-0.07,-5.46029032428437
CC[C@H](C)[C@@H](NC(N)=O)C(=O)N(C)C[C@@H](C)c1ccccc1,C67178098_decoy,ADA,Decoy,0,-8.81597,-8.68,-0.53,-10.501692895939192
CC(C)CSc1nnc(N/N=C/c2ccc(O)cc2O)[nH]1,C05908138_decoy,ADA,Decoy,0,-7.89321,-7.89,-0.36,-7.2337372814860466
C=CCNC(=O)Nc1ccc(N[C@@H](C)C(=O)N[C@@H](C)CC)cc1,C29802367_decoy,ADA,Decoy,0,-7.09123,-6.64,-1.03,-6.240610143786464
COC(C)(C)C[C@@H](C)Nc1cccc(NS(N)(=O)=O)c1,C37130668_decoy,ADA,Decoy,0,-9.59331,-6.84,-1.13,-8.532633818145928
C[C@H](CCc1ccco1)Nc1cccc(NS(N)(=O)=O)c1,C37130915_decoy,ADA,Decoy,0,-9.51294,-6.8,-1.63,-7.153916935043878
CCNc1nc(NCC)nc(N(CC)C(N)=S)n1,C13687823_decoy,ADA,Decoy,0,-8.04975,-5.37,-0.93,-7.868419097595465
CC(C)[C@@H](NC(=O)OC(C)(C)C)C(=O)N[C@H](C)C(N)=O,C04906061_decoy,ADA,Decoy,0,-6.33287,-6.41,-0.54,-7.092515821630032
CC(C)COC(=O)NC1(/C(N)=N/O)CCCCCC1,C40375755_decoy,ADA,Decoy,0,-8.14572,-7.55,-0.42,-9.572880944629723
CCC(CC)(NS(=O)(=O)c1ccc(F)cc1C)/C(N)=N/O,C40376978_decoy,ADA,Decoy,0,-9.46723,-7.98,-2.2,-9.759746271743117
Cc1cc(C)cc(Nc2ncnc(NC[C@@H]3CCCO3)c2N)c1,C40681696_decoy,ADA,Decoy,0,-7.93487,-8.21,-1.22,-7.409217216357267
Nc1c(NC[C@@H]2CCCO2)ncnc1NC1CCCCCC1,C40687195_decoy,ADA,Decoy,0,-7.76434,-7.75,-1.81,-6.876883504484221
CCNc1ncnc(Nc2nc3ccc(OC)cc3s2)c1N,C40707423_decoy,ADA,Decoy,0,-7.56824,-5.87,-0.41,-5.975355329915256
CN(C)Nc1ncnc(Nc2ccc(OC(F)(F)F)cc2)c1N,C40760101_decoy,ADA,Decoy,0,-5.61567,-5.36,-0.63,-4.173479003731666
CN(C)Nc1ncnc(Nc2ccc(C(F)(F)F)cc2)c1N,C40760103_decoy,ADA,Decoy,0,-5.58083,-7.71,-1.83,-5.803204371239072
Nc1c(NCc2ccco2)ncnc1Nc1ccc(F)cc1,C40761291_decoy,ADA,Decoy,0,-6.44828,-4.71,-0.91,-4.302339209553335
COc1ccccc1Nc1ncnc(Nc2nccs2)c1N,C40780787_decoy,ADA,Decoy,0,-8.17895,-6.43,-2.73,-6.65848604891041
CC(C)(C)NNc1ncnc(OC2CCCCC2)c1N,C40796718_decoy,ADA,Decoy,0,-6.65727,-6.19,-0.41,-5.979236643715029
CC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(NC(=O)NC2CC2)cc1,C42667585_decoy,ADA,Decoy,0,-7.31454,-6.73,-1.94,-6.355367008717396
COc1cc(Cl)c(C)cc1NC(=O)[C@@H](/C(N)=N/O)C(C)C,C44862747_decoy,ADA,Decoy,0,-9.09352,-8.1,0.03,-8.63850812973684
C[C@@H](OC(=O)c1ccc(NC(N)=O)cc1)C(=O)Nc1ccccc1,C03408608_decoy,ADA,Decoy,0,-7.57754,-8.08,-0.94,-6.565279347774495
CC(C)COc1ccc(N[C@H](C)C(=O)NC(N)=O)cc1Cl,C46815533_decoy,ADA,Decoy,0,-8.18869,-6.96,-1.4,-7.188008935903045
Cc1ccc(NC(=O)NCCNC(=O)c2ccc(O)cc2)c(C)c1,C46851345_decoy,ADA,Decoy,0,-8.00397,-6.51,-0.5,-5.717521972031032
CCOC(=O)N[C@H](CNC(=O)NNC(C)=O)CC(C)C,C47056367_decoy,ADA,Decoy,0,-6.8663,-5.84,-1.77,-6.6230194560309
CCC(CC)(NS(=O)(=O)CC1CCCCC1)/C(N)=N/O,C49044187_decoy,ADA,Decoy,0,-8.37111,-7.72,-2.22,-8.929536865582039
CCCCCNC(=O)N1CCC[C@H](CNC(N)=O)C1,C49176946_decoy,ADA,Decoy,0,-8.04208,-6.61,-0.3,-9.730155628830737
COC(=O)N[C@H](CC(C)C)C(=O)NNC(=O)NC(C)C,C49467447_decoy,ADA,Decoy,0,-6.37206,-6.55,-1.13,-6.780964154057196
CCOC(=O)N[C@@H](C(=O)NNC(=O)NC(C)C)C(C)C,C49468321_decoy,ADA,Decoy,0,-6.5522,-5.89,-1.38,-7.678949736681156
CCOc1ccccc1NC(=O)c1nc(NN)ccc1Cl,C51089500_decoy,ADA,Decoy,0,-8.71475,-7.49,-1.07,-7.862662350329596
CCOc1cc(-c2nc(C)c(CC)c(NN)n2)ccc1O,C51168533_decoy,ADA,Decoy,0,-10.8424,-7.84,-0.78,-9.702882920452284
NC(=O)NC(=O)CNc1ccccc1Oc1ccccc1Cl,C57643374_decoy,ADA,Decoy,0,-7.11719,-8.14,-0.07,-7.5145537088995695
CC(C)(C)c1ccc(-c2nnc(SCCC(N)=O)n2N)cc1,C21564562_decoy,ADA,Decoy,0,-8.83286,-5.64,-0.57,-6.590148331513794
CCOC(=O)C1=C(C)OC(N)=C(C(N)=O)[C@H]1c1ccc(C)cc1,C58948601_decoy,ADA,Decoy,0,-7.31818,-7.58,-0.27,-9.436733312334638
CC[C@H](C)Sc1nnc(N/N=C(\C)c2ccc(N)cc2)[nH]1,C20836886_decoy,ADA,Decoy,0,-8.39313,-7.97,-1.18,-12.12186201624586
CC[C@@H](C)NC(=O)Nc1cc(C(N)=O)ccc1N1CCCCC1,C60062203_decoy,ADA,Decoy,0,-7.39008,-6.43,-0.76,-7.075442458894656
Cc1cc(N)nc(SCCCSc2nc(C)cc(N)n2)n1,C61355447_decoy,ADA,Decoy,0,-8.54755,-7.18,-0.4,-8.201226614947233
COc1ccc(NS(=O)(=O)c2ccc(NN)cc2)c(C)c1,C61568626_decoy,ADA,Decoy,0,-9.78261,-7.78,-1.65,-10.547926987354549
Nc1cc(N)nc(SCCc2ccccc2[N+](=O)[O-])n1,C62726720_decoy,ADA,Decoy,0,-6.59734,-6.83,-0.6,-6.24361872798765
CCOc1ccc(C(F)(F)F)cc1N[C@H](C)C(=O)NC(N)=O,C63642036_decoy,ADA,Decoy,0,-6.19233,-7.36,-1.61,-8.859320119805293
Cc1ccc(Nc2ccccc2C(=O)NNC(=O)NC2CC2)cc1,C64900758_decoy,ADA,Decoy,0,-6.38402,-8.71,-1.22,-7.616231384563704
CCOC(=O)N[C@H](C(=O)NNC(=O)NCC1CC1)C(C)C,C65192128_decoy,ADA,Decoy,0,-6.552,-6.26,-2.09,-5.315956093578309
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NC1CCCC1,C65919259_decoy,ADA,Decoy,0,-7.16,-4.58,-0.71,-4.685830284138945
C/C(=N/NC(=O)CNc1ccccc1C)c1cc(O)ccc1O,C00058355_decoy,ADA,Decoy,0,-6.86537,-8.78,-0.53,-9.802194700039848
C[C@@H](CC(=O)NCC(C)(C)C(N)=O)NC(=O)C1CCCCC1,C66617106_decoy,ADA,Decoy,0,-7.38073,-6.59,-1.57,-7.117622657762062
CCNC(=O)NNC(=O)C[C@@H](C)NC(=O)C1CCCCC1,C66632711_decoy,ADA,Decoy,0,-6.96959,-8.09,-0.96,-7.818261630586911
CCNC(=O)NNC(=O)C[C@H](C)NC(=O)C1CCCCC1,C66632712_decoy,ADA,Decoy,0,-6.74304,-6.35,-1.03,-5.920453568982839
CCOC(=O)N[C@@H](C(=O)NC1CCC(C(N)=O)CC1)C(C)C,C66634694_decoy,ADA,Decoy,0,-7.66858,-7.31,0.06,-7.022481500623833
Nc1ccc(C(=O)NNC(=O)CC2CCCCC2)cc1[N+](=O)[O-],C66790463_decoy,ADA,Decoy,0,-6.37286,-8.58,-0.56,-7.937237469816877
O=C(CC1CCCCC1)NNC(=O)NC[C@H](O)c1ccccc1,C67103459_decoy,ADA,Decoy,0,-8.28911,-7.04,-1.47,-5.701838991762972
C[C@@H](NC(=O)OC(C)(C)C)C(=O)NNC(=O)NCC1CC1,C67236871_decoy,ADA,Decoy,0,-6.61855,-6.89,-0.59,-9.635157364621392
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCC(N)=O,C67266377_decoy,ADA,Decoy,0,-6.62682,-6.71,-3.18,-7.772645330620113
CC(C)(C)NC(=O)CNC(=O)NCCCNc1ccccc1,C67610233_decoy,ADA,Decoy,0,-6.51115,-7.21,-0.58,-5.9787597289225305
NC(=S)N/N=C/c1cccn1-c1nccs1,C02510544_decoy,ADA,Decoy,0,-7.98391,-6.1,-0.82,-8.031681855250557
NNc1nccc(-c2ccc(OC(F)F)cc2)n1,C12395077_decoy,ADA,Decoy,0,-8.58557,-6.75,-0.02,-7.880651376850412
CCCc1n[nH]c2c1[C@H](CCC)C(C#N)=C(N)O2,C06529145_decoy,ADA,Decoy,0,-8.5839,-7.27,0.19,-11.466334584219224
Cc1ccc([C@@H](C)Nc2cccc(S(N)(=O)=O)c2)o1,C19915870_decoy,ADA,Decoy,0,-7.72835,-7.59,-0.7,-7.437161553964642
CCNC(=O)[C@H](C)NC(=O)NC1CCCCCCC1,C29339073_decoy,ADA,Decoy,0,-6.28742,-6.52,-0.7,-5.0735081951328285
Cc1nn(-c2ccccc2)c(C)c1/C=N\NC(N)=S,C33312415_decoy,ADA,Decoy,0,-7.28906,-7.77,-0.54,-7.3569460093147185
CC[C@H](C(=O)Nc1ccccc1N)n1cc(C)ccc1=O,C33512901_decoy,ADA,Decoy,0,-6.06494,-8.08,-1.78,-6.426792398026078
Nc1cc2c(cc1OCCc1ccccn1)NC(=O)CC2,C35356218_decoy,ADA,Decoy,0,-6.74417,-8.81,-2.09,-6.588867040940085
O=C(NC[C@@H]1C[C@@H]2C=C[C@H]1C2)C(=O)Nc1ccccc1O,C36360975_decoy,ADA,Decoy,0,-8.09961,-7.09,-0.76,-5.812433501618077
CC[C@@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1C,C36721713_decoy,ADA,Decoy,0,-7.96133,-7.37,-0.68,-7.670661966501755
Cc1nn(C)c(Nc2ccc(OC(F)(F)F)cc2)c1N,C36749166_decoy,ADA,Decoy,0,-5.6744,-7.72,-1.51,-6.099943279650537
O=C1NCCN1c1cccc(NCc2cccc(O)c2)c1,C37002072_decoy,ADA,Decoy,0,-7.63752,-8.34,-0.07,-7.187682893126222
Cc1n[nH]cc1CNc1ccc(-c2cc[nH]n2)cc1,C37104826_decoy,ADA,Decoy,0,-5.70192,-7.52,-0.06,-6.380073005260878
O=C(C[C@@H]1CCC[NH2+]1)Nc1ccc(C(=O)[O-])cc1,C42170742_decoy,ADA,Decoy,0,-7.18875,-6.53,-0.33,-6.496409608035895
CC(C)C[C@H](C)N(C)c1cc2nc[nH]c(=O)c2cc1N,C42578076_decoy,ADA,Decoy,0,-7.01169,-8.32,-0.22,-6.586338240696314
O=C(Nc1ccc(NC(=O)C2CCC2)cc1)NC1CC1,C42661209_decoy,ADA,Decoy,0,-6.76048,-6.84,-1.07,-5.839615116934987
C[C@@H]1C[C@@H]1C(=O)Nc1ccc(NC(=O)NC2CC2)cc1,C42802415_decoy,ADA,Decoy,0,-6.52964,-6.55,-1.33,-5.458582975808837
CCC1CCC(N(C)c2nc(C)ccc2/C(N)=N/O)CC1,C43399966_decoy,ADA,Decoy,0,-8.65661,-8.51,-1.11,-8.287681354343334
CCN(C(=O)C1(/C(N)=N/O)CCCC1)c1ccccc1C,C44784174_decoy,ADA,Decoy,0,-7.00423,-7.76,-0.98,-8.14224325148285
CC[C@H]1CCCN(C(=O)[C@H](/C(N)=N/O)C(C)C)C1,C44869558_decoy,ADA,Decoy,0,-7.94173,-7.76,-1.38,-7.296407398255122
C[C@@H](/C(N)=N/O)N(C)C(=O)CC1CCCCC1,C45144684_decoy,ADA,Decoy,0,-9.03306,-7.96,-0.75,-11.05784172310428
Nc1cccc(Cl)c1S(=O)(=O)NCc1ccco1,C45148273_decoy,ADA,Decoy,0,-6.77812,-4.66,-1.29,-3.768949203279012
CC(=O)NNC(=O)N[C@H](c1ccccc1)C(C)(C)C,C46897312_decoy,ADA,Decoy,0,-6.16246,-5.18,-0.11,-4.101025461112098
C[C@@H]1CCC[C@H](NC(=O)NCC(=O)NC(C)(C)C)C1,C48177855_decoy,ADA,Decoy,0,-6.9228,-5.78,-1.88,-5.155877611477552
C[C@H](C/C(N)=N/O)Oc1cccc2c1OC(C)(C)C2,C48258419_decoy,ADA,Decoy,0,-9.96245,-7.84,-0.69,-11.217768254263223
C[C@H]1CCCC[C@H]1NC(=O)NCC(=O)NC(C)(C)C,C48396981_decoy,ADA,Decoy,0,-6.4954,-5.65,-0.65,-5.060451616055964
O=C(CNC(=O)NC1CCCCCCC1)NC1CC1,C48397041_decoy,ADA,Decoy,0,-6.57062,-7.69,-0.95,-6.860399920277086
CC(C)C(=O)NNC(=O)N[C@@H](C)c1ccc(F)cc1,C48849074_decoy,ADA,Decoy,0,-6.17009,-6.66,-0.7,-4.967745443180609
CC(C)(C)[C@@H](NC(=O)Nc1cn[nH]c1)c1cccs1,C48961077_decoy,ADA,Decoy,0,-7.14091,-6.51,0.35,-10.0138901678696
C[C@@H](NC(=O)CC(F)(F)F)c1ccc2[nH]c(=O)[nH]c2c1,C49033640_decoy,ADA,Decoy,0,-5.43525,-7.22,-1.35,-5.109435047027007
O=C(NNC(=O)c1ccc(C(F)(F)F)cc1)NC1CC1,C49128749_decoy,ADA,Decoy,0,-4.88777,-7.61,-0.38,-8.743011286232377
CC(C)(C)c1ccc(C(=O)NNC(=O)NC2CC2)cc1,C49129022_decoy,ADA,Decoy,0,-6.76014,-7.6,-0.3,-7.117968271485628
CNC(=O)[C@H](C)NC(=O)N[C@H](C)c1ccc(Cl)s1,C49284784_decoy,ADA,Decoy,0,-7.85745,-4.76,-0.86,-4.370644241694412
CC(C)[C@@H]([NH3+])/C([O-])=N/c1nnc(-c2ccccc2)s1,C49895984_decoy,ADA,Decoy,0,-6.80203,-5.95,-0.03,-5.443605682126864
Cc1ccc([C@@](C)([NH2+][C@@H]2CCCNC2=O)C(=O)[O-])cc1C,C50393294_decoy,ADA,Decoy,0,-7.62775,-6.27,-2.48,-5.147375569111191
C[C@H]1CCC[C@H](OCc2nnsc2NN)C1,C51149269_decoy,ADA,Decoy,0,-8.33674,-6.93,-0.5,-7.222687541340128
C#CCNC(=O)CNC(=O)Nc1ccc(F)cc1Cl,C51583508_decoy,ADA,Decoy,0,-5.56528,-5.34,-1.03,-4.608957937530584
CC(C)(C)C(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1O,C51995777_decoy,ADA,Decoy,0,-6.5106,-5.55,-0.6,-4.671847383266376
Cc1nn(CC(=O)N[C@H](C)C2CCCCC2)c(C)c1N,C52331867_decoy,ADA,Decoy,0,-6.44749,-5.95,-0.88,-4.814239794562437
Cc1ccc([C@H](C)Nc2ccc([N+](=O)[O-])cc2N)s1,C52840952_decoy,ADA,Decoy,0,-6.74419,-6.08,-0.68,-5.614939954661461
Cc1cc([C@H](C)Nc2ccc([N+](=O)[O-])cc2N)c(C)s1,C52841002_decoy,ADA,Decoy,0,-7.12743,-7.79,-0.91,-9.839935708109577
C[C@@H](Nc1ccc([N+](=O)[O-])cc1N)c1ccccc1F,C52841029_decoy,ADA,Decoy,0,-5.48469,-5.21,-0.62,-3.570250969448596
N/C(=N/O)c1c(Cl)cccc1OC[C@H]1CCCCO1,C52906965_decoy,ADA,Decoy,0,-9.60626,-7.02,-1.42,-7.879433854000547
CN(CC/C(N)=N/O)C(=O)C1CCCCCC1,C53716127_decoy,ADA,Decoy,0,-8.92314,-7.41,-0.52,-7.6628248453867664
C[C@H](NC[C@@H](C)C#N)c1ccc2[nH]c(=O)[nH]c2c1,C54180425_decoy,ADA,Decoy,0,-8.09192,-7.37,0.17,-7.545876706232133
CCC(C)(C)C(=O)Nc1ccc(S(N)(=O)=O)cc1F,C54403641_decoy,ADA,Decoy,0,-7.15253,-7.51,-0.85,-7.215398433195672
COc1ccc([C@H](C)N[C@@H]2CCCCNC2=O)c(O)c1,C36976496_decoy,ADA,Decoy,0,-7.25504,-7.88,-0.93,-7.165212658435582
CC[C@@H]1CO[C@H](C)CN1Cc1nc(NN)ccc1Cl,C61638559_decoy,ADA,Decoy,0,-8.65545,-7.0,-0.48,-6.65983757778444
CC(C)CNC(=O)NNC(=O)[C@H]1C[C@@H]2CC[C@H]1C2,C65180299_decoy,ADA,Decoy,0,-6.91778,-6.3,-0.79,-5.575894593144223
CC(C)NC(=O)NNC(=O)C[C@@H]1C[C@H](C)CC(C)(C)C1,C66641476_decoy,ADA,Decoy,0,-6.83662,-7.63,-0.77,-6.960175777327513
COc1cccc(CNc2cccc3cn[nH]c23)c1O,C04629485_decoy,ADA,Decoy,0,-8.3929,-6.1,-1.34,-5.282917300051111
C=CCNC(=O)c1sc(N2CCCCC2)nc1N,C21775214_decoy,ADA,Decoy,0,-7.0796,-4.74,-0.7,-4.135606243743407
C[C@H](Nc1ccc(F)cc1)C(=O)NC(=O)NC(C)(C)C,C28907277_decoy,ADA,Decoy,0,-6.85181,-6.22,-0.87,-5.829179243538187
COc1ccc(NS(=O)(=O)c2cccs2)cc1N,C32129786_decoy,ADA,Decoy,0,-7.60098,-5.84,-0.97,-5.320429628916766
CCNC(=O)c1ccc(NC(=O)NC2CCCCC2)cc1,C13631458_decoy,ADA,Decoy,0,-7.62205,-6.98,-0.75,-5.975389105583207
C[C@@H](Nc1ccccc1S(N)(=O)=O)[C@H]1CCCO1,C35736090_decoy,ADA,Decoy,0,-7.68845,-5.91,-0.8,-5.183603000381424
CC[C@H]1COCCN1CC(=O)Nc1cc(F)ccc1N,C36324051_decoy,ADA,Decoy,0,-6.0938,-6.82,-0.53,-7.255875206601727
CCOc1ccc(-c2c(-c3occc3C)n[nH]c2N)cc1,C36936246_decoy,ADA,Decoy,0,-7.51271,-8.05,-0.57,-7.0059873533338095
Cc1ccc(N)c(C)c1S(=O)(=O)NCc1ccco1,C37054477_decoy,ADA,Decoy,0,-6.38566,-6.44,-2.5,-4.936063500301889
CNC(=O)Nc1ccc(N[C@H](C)c2ccc(C)o2)cc1,C37135670_decoy,ADA,Decoy,0,-6.26081,-8.06,-2.54,-6.302757794926322
C[C@@H](CNc1ccc2c(c1)OC(F)(F)O2)C(N)=O,C37227249_decoy,ADA,Decoy,0,-6.18337,-6.99,-0.64,-6.737658385915024
CCc1c(C)nc(NNc2ccccc2)[nH]c1=O,C25491844_decoy,ADA,Decoy,0,-6.16302,-7.3,-0.72,-6.263968148020451
CNC(=O)Nc1ccc(NCc2ccc(Cl)o2)cc1,C37509433_decoy,ADA,Decoy,0,-6.89502,-7.06,-0.7,-6.5288213198303
C[C@H](Nc1ccc(-c2cc[nH]n2)cc1)c1cc[nH]n1,C37907985_decoy,ADA,Decoy,0,-6.32411,-7.48,-0.52,-6.066428908709457
CCC[C@@](C)([NH3+])C(=O)N1CCCc2cc(C(=O)[O-])ccc21,C40480972_decoy,ADA,Decoy,0,-6.08334,-7.66,0.13,-6.437723446458547
O=C(C[C@H]1CCC[NH2+]1)Nc1ccc(Cl)c(C(=O)[O-])c1,C42167980_decoy,ADA,Decoy,0,-7.15868,-7.28,-0.66,-6.672810021424893
C[C@H](O)c1ccccc1NCc1cc2c(cc1O)OCO2,C42880526_decoy,ADA,Decoy,0,-7.67782,-8.18,-0.3,-7.379207951920545
CCN(C(=O)C1(/C(N)=N/O)CCCCC1)c1ccccc1,C44784535_decoy,ADA,Decoy,0,-5.69663,-7.54,-2.45,-7.10992561896095
CCCN(C)C(=O)C1(/C(N)=N/O)CCCCCC1,C44784895_decoy,ADA,Decoy,0,-7.25563,-7.39,-0.45,-9.53475633383595
CCC[C@H](C(=O)N1[C@H](C)CCC[C@@H]1C)/C(N)=N/O,C44865020_decoy,ADA,Decoy,0,-7.24422,-6.83,-1.06,-7.922005247605388
CC[C@@H]1CCCN(C(=O)[C@H](/C(N)=N/O)C(C)C)C1,C44869554_decoy,ADA,Decoy,0,-8.9116,-7.59,-0.74,-11.643526716815106
CC(C)[C@H](C(=O)N(C)[C@H]1CCCC[C@H]1C)/C(N)=N/O,C44878689_decoy,ADA,Decoy,0,-7.56002,-7.29,-0.65,-7.161611575546012
CNC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2,C45163984_decoy,ADA,Decoy,0,-7.3557,-6.75,-1.07,-5.486466411716986
O=C(NCC1CC1)NNC(=O)c1cc2c(s1)CCC2,C45459769_decoy,ADA,Decoy,0,-7.62937,-7.87,-0.5,-7.6068800637561775
C[C@@H](NC(=O)NNc1ccc(F)cc1)[C@@H]1CCCO1,C46973001_decoy,ADA,Decoy,0,-5.55953,-6.11,-0.17,-4.661257749112576
C[C@H]1C[C@H]1CNC(=O)NNC(=O)c1ccc(F)cc1,C47099675_decoy,ADA,Decoy,0,-6.15932,-8.12,-0.86,-7.111168953709614
CC(C)NC(=O)CNC(=O)N[C@H]1CCC[C@H](C)C1,C48160020_decoy,ADA,Decoy,0,-6.30548,-6.98,-0.53,-6.5468273343636
C/C=C\C=C/C(=O)NNC(=O)Nc1ccccc1C,C48824016_decoy,ADA,Decoy,0,-6.64712,-6.4,-0.71,-4.948930463094852
CNC(=O)NC(C)(C)C(=O)N[C@H](C)c1ccccc1F,C48889592_decoy,ADA,Decoy,0,-6.23214,-6.6,-0.24,-5.041912842294887
CCN(C[C@H]1CCCO1)c1cc2c(cc1N)CCC(=O)N2,C48953722_decoy,ADA,Decoy,0,-7.17003,-6.83,-0.47,-6.042767439835528
Nc1cc(C(=O)[O-])ccc1N1CC[NH+](CC2CC2)CC1,C48997070_decoy,ADA,Decoy,0,-7.47268,-5.68,-0.2,-4.724039105969379
CCC[C@](C)([NH3+])C(=O)N1CCc2ccccc2[C@@H]1C(=O)[O-],C49843540_decoy,ADA,Decoy,0,-6.54943,-7.1,-0.93,-6.91167932244274
CCC[C@](C)([NH3+])C(=O)N1CCc2ccccc2[C@H]1C(=O)[O-],C49843543_decoy,ADA,Decoy,0,-4.98184,-3.97,0.24,-3.2944151067705096
CCc1[nH]nc(C(=O)N(C)C2CCC(CC)CC2)c1N,C50307645_decoy,ADA,Decoy,0,-7.0028,-7.4,-1.16,-7.453592961277173
NNc1snnc1COc1ccc(Cl)c(Cl)c1,C51148047_decoy,ADA,Decoy,0,-8.82113,-8.17,-0.56,-8.927283787567827
Cc1cc(C)cc(OCc2c(C)nn(C)c2NN)c1,C51148836_decoy,ADA,Decoy,0,-7.81425,-7.6,-0.64,-6.594594607683739
NNc1nc(COc2cccc(F)c2)nc2sccc12,C51149810_decoy,ADA,Decoy,0,-9.9457,-9.34,-0.86,-9.128232426487358
Cc1ccc(OCc2nc(NN)c3ccsc3n2)cc1,C51150046_decoy,ADA,Decoy,0,-10.4088,-8.33,-0.9,-9.26780189423206
C#CCNC(=O)CNC(=O)Nc1cc(Cl)ccc1F,C51585740_decoy,ADA,Decoy,0,-6.23936,-6.21,-0.56,-6.59138257840318
Cc1cc(C)c(/C(N)=N/O)c(OCC2CCCCC2)n1,C52154586_decoy,ADA,Decoy,0,-8.50637,-8.48,-0.89,-11.425505345544734
Cc1ccc(CNS(=O)(=O)c2ccc(C)c(N)c2)o1,C53035609_decoy,ADA,Decoy,0,-7.31893,-6.21,-1.67,-4.869762439035453
N#Cc1ccc(OCC(=O)NC2CCCCCC2)c(N)c1,C53341022_decoy,ADA,Decoy,0,-8.11932,-6.33,-0.74,-5.334610323091938
C[C@@H](CNC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1)C(=O)[O-],C54335081_decoy,ADA,Decoy,0,-6.57866,-5.63,-0.44,-4.535870608597694
NC(=S)c1nccnc1NC[C@@H]1Cc2ccccc2O1,C54398313_decoy,ADA,Decoy,0,-7.55881,-4.36,-0.6,-4.343249611600505
C[NH2+]C(C)(C)C(=O)Nc1ccc(Cl)c(C(=O)[O-])c1,C61316538_decoy,ADA,Decoy,0,-6.23461,-3.98,-0.31,-3.50229967204176
CCc1c(C)nn(Cc2nc(NN)ccc2Cl)c1C,C61639385_decoy,ADA,Decoy,0,-8.50602,-6.96,-0.9,-7.604135504580641
CC[C@@]1(C(=O)Nc2ccc(C(=O)[O-])cc2)CCC[NH2+]C1,C62858481_decoy,ADA,Decoy,0,-7.53984,-5.5,-0.11,-4.8364819749024095
CC[C@@]1(C(=O)Nc2ccc(C(=O)[O-])c(C)c2)CCC[NH2+]C1,C62860423_decoy,ADA,Decoy,0,-7.42001,-7.29,-0.41,-6.60788043140165
CC(C)(C)[C@@H]1N=C(CSc2nc(N)n[nH]2)CS1,C63919322_decoy,ADA,Decoy,0,-7.98606,-6.92,-0.89,-7.856792523189848
CC(C)CCn1c(NN)nc2ccsc2c1=O,C67172649_decoy,ADA,Decoy,0,-9.42844,-7.27,-0.84,-8.913519581194551
O=C([O-])/C=C/C(=O)Nc1ccc(NC(=O)c2ccccc2)cc1,C13632974_decoy,ADA,Decoy,0,-7.79471,-3.93,-0.42,-4.680203984399431
C[C@@H]1CCc2sc(C(=O)NNC(=O)CC(C)(C)CC(=O)[O-])cc2C1,C16478859_decoy,ADA,Decoy,0,-8.51203,-5.9,-0.39,-6.249969546859638
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)NC(=O)CCCC(=O)[O-],C20423773_decoy,ADA,Decoy,0,-7.91416,-5.57,-0.62,-5.048402604361375
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1cccs1,C28167346_decoy,ADA,Decoy,0,-7.49627,-6.95,-0.04,-7.390005391203678
O=C(NC1CC1)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1,C32771959_decoy,ADA,Decoy,0,-8.19729,-6.49,-1.14,-6.234454920466365
O=C([O-])/C=C\C(=O)Nc1ccccc1C(=O)Nc1cccc(Cl)c1,C33312466_decoy,ADA,Decoy,0,-7.32617,-8.02,-0.36,-7.344786312767909
CC(=O)Nc1sc(C)cc1C(=O)N[C@@H](C(=O)[O-])c1ccccc1,C33519886_decoy,ADA,Decoy,0,-7.78648,-5.94,-1.17,-5.614369396253342
O=C([O-])CNC(=O)CNC(=O)/C=C/c1ccc(Cl)cc1Cl,C35097154_decoy,ADA,Decoy,0,-7.27417,-6.8,-0.85,-7.355595562029622
O=C([O-])CNC(=O)CNC(=O)c1sc2ccccc2c1Cl,C35097274_decoy,ADA,Decoy,0,-7.38742,-5.93,-0.65,-5.353159717539511
O=C([O-])CCCCC(=O)NC(=O)NC1CCCCCCC1,C35325929_decoy,ADA,Decoy,0,-7.09511,-7.53,-0.29,-7.049890226534571
C[C@@H](NC(=O)NC(=O)CCCC(=O)[O-])c1cccs1,C35736917_decoy,ADA,Decoy,0,-7.2618,-6.91,-0.84,-7.964442677380672
O=C([O-])Cc1ccc(S(=O)(=O)N[C@H]2CCC[C@@H](O)C2)cc1,C37002634_decoy,ADA,Decoy,0,-8.03679,-5.93,-0.65,-4.91867700778669
C[C@H]1CCC[C@@H](NC(=O)NC(=O)CCCC(=O)[O-])C1,C37257060_decoy,ADA,Decoy,0,-7.26029,-5.38,-0.84,-4.784674845997368
CC(C)(C)C(=O)NCC(=O)Nc1sccc1C(=O)[O-],C37450780_decoy,ADA,Decoy,0,-6.31474,-5.51,-0.87,-4.699592963536464
O=C(C[C@H]1C=CCC1)NC1(c2nc(C(=O)[O-])c[nH]2)CCC1,C37590794_decoy,ADA,Decoy,0,-7.25618,-7.23,-0.01,-8.409855444861378
CNC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-],C37796590_decoy,ADA,Decoy,0,-7.68431,-7.01,-1.34,-7.347110470170706
CC(C)CN(CC(N)=O)C(=O)[C@H]1CCCC[C@@H]1C(=O)[O-],C37834723_decoy,ADA,Decoy,0,-7.49263,-6.74,0.13,-11.129766222898652
O=C([O-])CC1(CC(=O)NC(=O)NCC2CC2)CCCC1,C40225388_decoy,ADA,Decoy,0,-5.67073,-7.35,-1.0,-6.780342822930895
O=C(Nc1ccc(C(=O)[O-])cc1O)OCC(F)(F)F,C40503451_decoy,ADA,Decoy,0,-5.65691,-5.64,-0.6,-4.867898696472017
C[C@H]1CCCC[C@H]1CNC(=O)NC(=O)CCC(=O)[O-],C42869601_decoy,ADA,Decoy,0,-6.69336,-7.15,-2.01,-7.250773964085299
C[C@@H](CN(C)c1nc2c(cc1C(N)=O)CCCC2)C(=O)[O-],C43409375_decoy,ADA,Decoy,0,-6.8528,-7.96,-1.49,-11.5768271864608
O=C([O-])CC1(CNC(=O)NCc2ccco2)CCCCC1,C43414086_decoy,ADA,Decoy,0,-6.00011,-5.43,-0.56,-4.591149767164075
O=C([O-])CC1(CNC(=O)NC2CCOCC2)CCCCC1,C43414280_decoy,ADA,Decoy,0,-6.19869,-7.57,-0.21,-6.918229596097364
CN(CC(C)(C)C)c1ccc(S(N)(=O)=O)cc1C(=O)[O-],C45089551_decoy,ADA,Decoy,0,-6.85163,-6.09,-1.01,-5.4237495191538
CC(C)(CC(=O)[O-])CC(=O)NNC(=O)c1ccccc1,C16482237_decoy,ADA,Decoy,0,-6.37183,-7.58,-0.15,-10.193014553426886
O=C(NCCc1ccco1)NC1CCC(C(=O)[O-])CC1,C49148055_decoy,ADA,Decoy,0,-7.10483,-7.23,-0.55,-7.622560804006064
C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1cccc(F)c1,C49530137_decoy,ADA,Decoy,0,-6.0816,-8.24,-1.8,-8.353747918095237
CC(C)(CCC(=O)[O-])NC(=O)NC[C@H]1CCCOC1,C50197282_decoy,ADA,Decoy,0,-6.81533,-6.82,-0.44,-6.476794953552455
CO[C@H]1CCC[C@@H]1NC(=O)NC(C)(C)CCC(=O)[O-],C50376550_decoy,ADA,Decoy,0,-6.39748,-5.21,-1.05,-4.522953699125898
C=CCNC(=O)/C(C#N)=C(\[O-])[C@H](C)NC(=O)c1cccs1,C50851756_decoy,ADA,Decoy,0,-9.60764,-7.63,-0.73,-12.14524161375761
CC(=O)Nc1ccc(N/C([O-])=C(\C#N)C(=O)[C@H]2CC=CCC2)cc1,C51430061_decoy,ADA,Decoy,0,-9.16197,-6.82,-1.37,-7.511585382436515
O=C([O-])c1ccc(CS(=O)(=O)N[C@@H]2CCCC[C@H]2O)cc1,C52007659_decoy,ADA,Decoy,0,-7.98719,-6.94,-1.63,-5.766784395729559
O=C([O-])c1ccc(NC(=O)N2CCC[C@H]2CCCO)cc1,C52764052_decoy,ADA,Decoy,0,-7.69896,-3.85,-0.61,-4.0436712666504535
C=CCNC(=S)N/N=C(\C)c1c([O-])n(C)c2ccccc2c1=O,C06185310_decoy,ADA,Decoy,0,-8.34117,-7.67,-1.59,-8.77161780737588
CC(C)CNC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1,C55150432_decoy,ADA,Decoy,0,-7.35989,-6.89,-0.16,-6.215082069509288
CCN(C(=O)N[C@@H]1CCCC[C@@H]1O)[C@@H](C)CC(=O)[O-],C61214760_decoy,ADA,Decoy,0,-5.78507,-5.84,-1.1,-6.241000049645008
CCN(C[C@@H](C)C(=O)[O-])C(=O)N[C@H]1CCCC[C@@H]1O,C61226818_decoy,ADA,Decoy,0,-6.39814,-4.8,-1.81,-4.415938673899511
C[C@H](CC(=O)[O-])CC(=O)NC(=O)NCC1CCCC1,C61832804_decoy,ADA,Decoy,0,-6.49938,-7.3,-0.69,-10.342927270448412
C[C@H](CC(=O)[O-])CC(=O)NC(=O)N[C@@H](C)C1CCCCC1,C61833490_decoy,ADA,Decoy,0,-6.82898,-5.29,-0.99,-4.921337803720407
C[C@H](CC(=O)[O-])CC(=O)Nc1cc2c(cc1Cl)NC(=O)C2,C61835624_decoy,ADA,Decoy,0,-6.68935,-7.08,-0.35,-7.249704406576727
CC[C@H](C)c1ccc(N/C([O-])=C(\C#N)C(=O)c2ccc(C)[nH]c2=O)cc1,C62676138_decoy,ADA,Decoy,0,-8.61543,-9.62,-0.63,-8.777723992285317
C[C@@H](NC(=O)c1cn[nH]c1)c1ccc(/C=C/C(=O)[O-])cc1,C62779989_decoy,ADA,Decoy,0,-6.31899,-7.02,-0.4,-6.918705460876953
O=C([O-])c1ccsc1NC(=O)N(CCO)C1CCCC1,C62828231_decoy,ADA,Decoy,0,-6.64501,-7.34,0.09,-7.517064449086534
CCCC1(C(=O)[O-])CCN(C(=O)Cc2csc(N)n2)CC1,C62845421_decoy,ADA,Decoy,0,-9.76361,-7.94,-1.84,-10.161518694456095
O=C([O-])c1cc(S(=O)(=O)NCCC(F)(F)F)c[nH]1,C63099841_decoy,ADA,Decoy,0,-5.29663,-6.87,-0.69,-7.21012961654051
O=C(NCCc1nccs1)NC1CCC(C(=O)[O-])CC1,C63136379_decoy,ADA,Decoy,0,-8.1686,-7.3,-0.07,-13.747841254292132
CC(=O)Nc1cc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)ccc1F,C64610704_decoy,ADA,Decoy,0,-7.66101,-7.0,-0.09,-7.392207225220265
CCNC(=O)c1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1,C64611069_decoy,ADA,Decoy,0,-7.30153,-7.68,-0.22,-7.73692749935396
O=C(CCC1CCCCC1)NNC(=O)c1ccc(C(F)(F)F)nc1[O-],C66782932_decoy,ADA,Decoy,0,-6.55336,-9.08,-1.64,-6.757404015260561
CC(=O)Nc1cc(NC(=O)CC2(C(=O)[O-])CCCCC2)c(F)cc1F,C66873857_decoy,ADA,Decoy,0,-7.54421,-6.17,-1.92,-5.739622687753892
CCC(=O)NNC(=O)[C@@H](C)NC(=O)C12CC3CC(CC(C3)C1)C2,C04278792_decoy,ADA,Decoy,0,-7.52905,-7.96,-1.53,-7.199452524144453
COCCNC(=O)C[C@H]1Nc2cc(C)c(C)cc2NC1=O,C04335131_decoy,ADA,Decoy,0,-7.02716,-6.8,-1.35,-6.456396654699481
O=C(NC(=S)NNC(=O)c1ccccc1Cl)c1ccco1,C06884493_decoy,ADA,Decoy,0,-8.28031,-6.47,-1.05,-6.023159653181362
CC(C)C(=O)Nc1ccc(C(=O)NNC(=O)C(C)(C)C)cc1,C08558731_decoy,ADA,Decoy,0,-7.37727,-5.11,-0.66,-4.67162116707878
CC(C)CCNS(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1,C09376035_decoy,ADA,Decoy,0,-6.9491,-6.89,-0.75,-8.409493985749846
NC(=O)COc1ccc(NC(=O)c2ccc(Cl)o2)cc1,C12932042_decoy,ADA,Decoy,0,-7.36777,-7.38,-0.51,-6.738282372096868
COc1ccc(NS(=O)(=O)c2ccccc2N)cc1OC,C20019553_decoy,ADA,Decoy,0,-7.795,-7.45,-0.92,-7.638160496914517
COc1cc(-c2[nH]c(C)c(C(C)=O)c2N)cc(OC)c1OC,C20268830_decoy,ADA,Decoy,0,-6.39343,-6.3,-0.37,-5.308644945550891
C[C@@H]1CN(CCCNc2cc(Cl)nc(N)n2)C[C@@H](C)O1,C24056939_decoy,ADA,Decoy,0,-9.45627,-7.56,-0.61,-8.339632265850227
Nc1cc(=O)[nH]c(SCC(=O)OC2CCCCC2)n1,C25492868_decoy,ADA,Decoy,0,-8.05923,-7.03,-0.49,-7.282036941003763
CC[C@@](C)(CNc1cc(Cl)nc(N)n1)N1CCOCC1,C29620378_decoy,ADA,Decoy,0,-8.80474,-7.46,-0.7,-8.523222171696096
C[C@H](Sc1nnc(C2CC2)n1N)C(=O)N[C@@H]1CCCC[C@H]1C,C36416368_decoy,ADA,Decoy,0,-8.65477,-6.0,-1.59,-5.401501687068611
c1n[nH]c(Sc2ccc(NCc3cc[nH]n3)cc2)n1,C37090847_decoy,ADA,Decoy,0,-8.51866,-8.26,-1.17,-7.751978234501796
CCc1ccc(NC(=O)C(=O)NNC(=O)c2cccs2)cc1,C04713802_decoy,ADA,Decoy,0,-7.88871,-8.24,-0.48,-7.997986714385034
C/C(=C\C(=O)NC1CCCCC1)NNC(=O)c1ccccn1,C04691050_decoy,ADA,Decoy,0,-7.07005,-6.37,-0.4,-5.313918016980768
NS(=O)(=O)NC[C@@H]1CCCN(C(=O)CC2CCCCC2)C1,C40218681_decoy,ADA,Decoy,0,-10.2226,-8.01,-0.5,-8.79915362466444
CN(CC/C(N)=N/O)S(=O)(=O)c1cc(Cl)cc(Cl)c1,C40376282_decoy,ADA,Decoy,0,-9.86794,-6.97,-1.8,-7.90284874531958
CCN(CC)c1ncnc(Nc2nccs2)c1N,C40723221_decoy,ADA,Decoy,0,-6.56015,-5.42,-0.87,-5.782285204520685
CC(=O)N[C@H](C(=O)Nc1cccc(-c2ccn[nH]2)c1)C1CCCC1,C42045327_decoy,ADA,Decoy,0,-7.99797,-8.74,-2.69,-13.06096477537825
CC(C)NC(=O)N[C@@H](C)c1ccc(NS(C)(=O)=O)cc1,C42839429_decoy,ADA,Decoy,0,-7.19004,-6.77,-1.51,-6.364607429076986
Cc1ccc(NC(=O)NC[C@H](C)[NH+](C)C)c(C(=O)[O-])c1,C45111655_decoy,ADA,Decoy,0,-6.62356,-7.38,-0.38,-7.223508858904314
C[C@H]1CCCC[C@@H]1OCCNC(=O)Nc1cn[nH]c1,C46830615_decoy,ADA,Decoy,0,-7.16844,-7.32,-0.89,-6.892372743887792
CC[C@H](CO)NC(=O)NC1CCN(C(=O)C2CCCCC2)CC1,C47601984_decoy,ADA,Decoy,0,-7.57517,-7.65,-1.27,-7.118647990737688
CC[C@H](C)[C@@H](C)Nc1ccc(C(N)=O)cc1[N+](=O)[O-],C48805829_decoy,ADA,Decoy,0,-5.54059,-7.42,-0.4,-6.369554776946838
C[C@H](NC(=O)c1cc(NS(C)(=O)=O)ccc1O)C1CC1,C48923752_decoy,ADA,Decoy,0,-7.76413,-7.65,-0.68,-7.182016794101189
CS(=O)(=O)Nc1ccc(O)c(C(=O)NCC(F)(F)F)c1,C48924497_decoy,ADA,Decoy,0,-5.72096,-5.76,-1.71,-4.111771856684815
CC(C)CO[C@H](C)C(=O)Nc1ccc2[nH]c(=O)[nH]c2c1,C49136739_decoy,ADA,Decoy,0,-6.4676,-7.74,-0.71,-7.460338217129821
CCNC(=O)NNC(=O)COc1c(C)cc(C)cc1C,C49165965_decoy,ADA,Decoy,0,-6.5907,-7.46,-1.63,-6.752446652203735
CC(=O)Nc1ccc(NC[C@H](O)c2ccc3c(c2)OCO3)cc1,C49928603_decoy,ADA,Decoy,0,-7.5425,-7.72,-0.17,-6.739634502914361
COc1cc(OC)c([C@@H]2[NH+]=CN(C3CC3)C2=[NH2+])c(OC)c1,C50122295_decoy,ADA,Decoy,0,-6.71037,-5.19,-0.03,-5.027771542040355
CC(C)C[C@@H](C)NS(=O)(=O)c1c(N)nc2sccn12,C50653613_decoy,ADA,Decoy,0,-7.69073,-6.91,-1.0,-8.40822438800856
Nc1ncc(S(=O)(=O)NCCC2CCCCC2)cn1,C50660802_decoy,ADA,Decoy,0,-9.76787,-7.54,-1.25,-9.247448673549412
COc1ccccc1N(C)Cc1nnsc1NN,C51145228_decoy,ADA,Decoy,0,-8.33577,-7.17,-0.13,-7.73122175942202
NNc1ccc([N+](=O)[O-])cc1COCC(F)(F)F,C51148456_decoy,ADA,Decoy,0,-6.58323,-6.44,-0.14,-6.42841895514873
Cc1cc(C(=O)[O-])ccc1NC(=O)NCC[NH+]1CCCC1,C54109471_decoy,ADA,Decoy,0,-7.03955,-6.65,-0.5,-5.529503314028177
CCOc1ccc(C#N)cc1NC(=O)c1ccc(C(N)=O)cc1,C56476524_decoy,ADA,Decoy,0,-6.98487,-8.52,-0.88,-6.930864360436669
CO[C@H](C(=O)N[C@H](C)c1ccc2[nH]c(=O)[nH]c2c1)c1ccccc1,C58386138_decoy,ADA,Decoy,0,-7.44904,-7.7,-0.45,-7.668043886436866
CC[C@@H](/C(N)=N/O)N1CCN(c2ccc(OC)cc2)CC1,C59186859_decoy,ADA,Decoy,0,-10.2552,-8.32,-0.43,-13.415550377224722
CC(C)c1ccc(/C=N\NC(N)=S)cc1[N+](=O)[O-],C59465383_decoy,ADA,Decoy,0,-6.29355,-6.51,-0.45,-5.534161883302319
CS(=O)(=O)c1ccc(OCc2nc(NN)ccc2Cl)cc1,C61639423_decoy,ADA,Decoy,0,-9.40378,-6.65,-0.51,-6.562276207846849
C[C@@H](CNC(=O)NNC(=O)c1ccoc1)c1ccccc1,C61795862_decoy,ADA,Decoy,0,-6.29095,-6.97,-0.63,-6.540150493260095
CCCNC(=O)c1cn(Cc2ccco2)c2cccc(N)c2c1=O,C62319820_decoy,ADA,Decoy,0,-7.32422,-6.96,-0.31,-6.180887602954299
CC[NH+](CC)c1ccc(NC(=O)[C@@H]2COC(=O)N2)c(C)c1,C62638796_decoy,ADA,Decoy,0,-7.09218,-6.87,-0.65,-5.622247734179561
Cc1nc(C(C)C)sc1C(=O)NNC(=O)NCC(C)C,C65179029_decoy,ADA,Decoy,0,-7.46931,-7.3,-0.98,-7.439013092588063
CCC(CC)N1NC(C)=C[C@H]1NC(=O)c1cnc[nH]1,C65375363_decoy,ADA,Decoy,0,-6.404,-6.75,-0.4,-11.57417047664188
C[C@@H]1C[C@H](CC(=O)Nc2ccn(CC(N)=O)n2)CC(C)(C)C1,C66332560_decoy,ADA,Decoy,0,-8.65773,-8.25,-0.85,-7.749960090115047
O=C(NNS(=O)(=O)/C=C/c1ccccc1Cl)NC1CC1,C66583577_decoy,ADA,Decoy,0,-9.16281,-8.09,-0.31,-15.318569567142802
Cc1cccc(C(=O)NNC(=O)[C@@H](C)NC(=O)C2CCCC2)c1,C66783843_decoy,ADA,Decoy,0,-7.34712,-8.93,-0.64,-8.156759189334503
C=CCNC(=O)Nc1ccc(NC(=O)[C@@H]2CCOC2)cc1,C66913732_decoy,ADA,Decoy,0,-6.98338,-6.8,-0.4,-5.85354170924832
Cc1cccc(C(=O)NNC(=O)CNC(=O)c2ccccc2C)c1,C67189853_decoy,ADA,Decoy,0,-7.07014,-8.89,-0.87,-10.76219667837854
OCCNNC(=S)Nc1ccc(OC(F)F)cc1,C03190905_decoy,ADA,Decoy,0,-6.8018,-6.47,-0.97,-7.31715254548039
CC(C)CCNC(=O)C(=O)Nc1sc2c(c1C(N)=O)CCC2,C06758596_decoy,ADA,Decoy,0,-7.75958,-8.22,-1.13,-7.654139399873381
NC(=O)NCCCC(=O)NCc1ccc(C(F)(F)F)cc1,C09639674_decoy,ADA,Decoy,0,-7.6108,-6.81,-1.31,-8.862190679908501
CC[NH+](CC)c1ccc(NC(=O)[C@@H](C)N2CC[NH2+]CC2)cc1,C20269959_decoy,ADA,Decoy,0,-7.84477,-6.7,-0.48,-6.561691642012009
C[C@H]([NH2+]CCCC(=O)[O-])c1ccc2[nH]c(=O)[nH]c2c1,C37417347_decoy,ADA,Decoy,0,-7.24772,-7.14,-1.81,-7.113787271626872
CCC[C@](C)([NH3+])C(=O)N[C@@H](CC(=O)[O-])c1cccs1,C37622566_decoy,ADA,Decoy,0,-8.34486,-6.9,-0.6,-8.717734745993003
[NH3+]CCCCNC(=O)c1cccc2cccc(C(=O)[O-])c12,C37796938_decoy,ADA,Decoy,0,-6.40284,-8.41,-1.95,-7.995917838958155
C=CCNC(=S)NNC(=O)[C@@H](CC(C)C)C[C@H](C)O,C13656017_decoy,ADA,Decoy,0,-8.30725,-6.5,-1.44,-10.281244576510217
NC(=O)CCN(Cc1ccccc1)C(=O)c1sccc1N,C40319207_decoy,ADA,Decoy,0,-7.95211,-6.95,-0.25,-8.570213620460677
CC(C)[C@@H]([NH3+])C(=O)NCCc1ccc(C(=O)[O-])cc1,C40483133_decoy,ADA,Decoy,0,-7.36226,-7.09,-0.8,-6.495102429449696
CNS(=O)(=O)c1ccc(NCCc2ccc(N)cc2)cc1,C40675785_decoy,ADA,Decoy,0,-10.1457,-6.88,-0.7,-7.822624822708305
CC(C)[NH+](C)CCCCNc1ccc(C(=O)[O-])cc1N,C41685096_decoy,ADA,Decoy,0,-6.65954,-5.18,-0.35,-4.661493184772469
CC(C)c1ccc([C@](C)([NH2+]CC(N)=O)C(=O)[O-])cc1,C41760379_decoy,ADA,Decoy,0,-6.67869,-7.59,-0.58,-6.875303963935568
CCCc1ccc([C@](C)([NH2+]CCC(N)=O)C(=O)[O-])cc1,C41804583_decoy,ADA,Decoy,0,-7.18638,-7.03,-0.73,-7.504176367664088
C[C@]([NH2+]CCC(N)=O)(C(=O)[O-])c1ccccc1Br,C41804627_decoy,ADA,Decoy,0,-7.211,-7.58,-0.59,-9.668644635184869
C[C@]([NH2+]CCC(N)=O)(C(=O)[O-])c1ccc(Cl)c(Cl)c1,C41804678_decoy,ADA,Decoy,0,-7.70683,-6.84,-0.56,-8.163801369161513
NC(=O)CCC[NH2+][C@]1(C(=O)[O-])CCCc2ccccc21,C41807854_decoy,ADA,Decoy,0,-7.29455,-8.38,-0.46,-7.839708372540342
NC(=O)CCC[NH2+][C@@]1(C(=O)[O-])CCCc2ccccc21,C41807856_decoy,ADA,Decoy,0,-6.40785,-8.05,-0.83,-8.08560077013776
CC(C)([NH2+][C@](C(=O)[O-])(c1ccc(Cl)cc1)C1CC1)C(N)=O,C41834354_decoy,ADA,Decoy,0,-6.70263,-7.24,0.08,-7.3149829882258
CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc(NN)cc1,C42559661_decoy,ADA,Decoy,0,-9.33908,-7.7,-0.89,-10.701919589534052
C[C@@H]1C[C@@H]1CNC(=O)C[C@H](NC(N)=O)c1cccs1,C43113763_decoy,ADA,Decoy,0,-9.41372,-6.62,-0.07,-8.521771447350638
CCC[C@@H]([NH3+])C(=O)NCC1(CC(=O)[O-])CCCCC1,C43413715_decoy,ADA,Decoy,0,-8.16869,-6.81,-1.76,-10.076199084306236
CCCC(CCC)(C(=O)Nc1c(C)n[nH]c1C)C(N)=S,C44837844_decoy,ADA,Decoy,0,-8.06243,-6.81,-1.56,-8.68556968117278
N/C(=N/O)[C@H](Cc1ccccc1)C(=O)NC[C@@H]1CCCO1,C44864886_decoy,ADA,Decoy,0,-9.65517,-7.49,-0.14,-9.12302054146012
CC[C@H](C(=O)N[C@H](CC)c1cccs1)/C(N)=N/O,C44876529_decoy,ADA,Decoy,0,-10.3546,-7.21,-1.93,-9.97922631879516
CC[C@H](NC(=O)[C@H](CC)/C(N)=N/O)c1cccs1,C44876532_decoy,ADA,Decoy,0,-8.37152,-7.33,-0.08,-8.353678070973153
CC[C@@H](C)NC(=O)CCNC(=O)C(CC)(CC)C(N)=S,C45009517_decoy,ADA,Decoy,0,-7.63265,-5.91,-0.67,-6.6152651956765895
C=CCSCC(=O)Nc1ccc(NC(N)=O)cc1,C45079047_decoy,ADA,Decoy,0,-7.81346,-7.39,-0.66,-9.505342117730224
CCC(C)(C)NC(=O)C[C@H](NC(N)=O)c1ccccc1,C46539501_decoy,ADA,Decoy,0,-8.39248,-7.37,-0.91,-8.260550896037435
C[C@H]1CCCC[C@@H]1NC(=O)CCCCCNC(N)=O,C08140301_decoy,ADA,Decoy,0,-8.21667,-6.81,-1.01,-7.859464357899877
C[C@H]1CCC[C@H](NC(=O)CCCCCNC(N)=O)C1,C48455147_decoy,ADA,Decoy,0,-8.23555,-7.39,-0.35,-7.791887646318554
CCOc1cc(C(N)=S)ccc1OC[C@H](C)C(N)=O,C48785776_decoy,ADA,Decoy,0,-8.41131,-6.92,-0.59,-7.56691413123476
CCC[C@H](NC(N)=O)C(=O)NCCC1=CCCCC1,C49087762_decoy,ADA,Decoy,0,-8.36464,-7.54,-0.56,-8.438709824558616
CC[C@H](C)[C@@H](C)NC(=O)CNC(=O)c1ccc(N)cc1,C49095131_decoy,ADA,Decoy,0,-6.73394,-5.4,-0.4,-4.826107025841414
CCC1CCC(CNC(=O)CCCCNC(N)=O)CC1,C49277276_decoy,ADA,Decoy,0,-7.81132,-7.08,-1.49,-8.39578135880981
C[C@@H](CN(C)c1ccccc1)NC(=O)CNC(N)=O,C49458607_decoy,ADA,Decoy,0,-7.92374,-7.13,-0.35,-8.13824060717797
COCCN(c1cc(C(N)=O)c(N)cc1F)[C@H](C)C1CC1,C50032855_decoy,ADA,Decoy,0,-7.49549,-6.77,-0.29,-7.767227798789751
CCOC(=O)CSc1cc(C(N)=O)c(N)cc1F,C50036033_decoy,ADA,Decoy,0,-6.65779,-6.94,-0.53,-7.443653541526406
Cc1[nH]ncc1CCCNS(=O)(=O)c1ccc(N)cc1,C50182539_decoy,ADA,Decoy,0,-8.60699,-6.74,-0.69,-7.225287117737156
CC(C)COC(=O)NCc1ccc(/C(N)=N/O)cc1,C51667735_decoy,ADA,Decoy,0,-8.43057,-5.88,-1.35,-5.927000480827826
CC(C)C[C@H]([NH3+])C(=O)N[C@](C)(C(=O)[O-])c1ccccc1,C52880790_decoy,ADA,Decoy,0,-7.06412,-7.37,-1.7,-7.823964420193944
C[C@H](NC(=O)CCCCNC(N)=O)[C@@H]1C[C@H]2CC[C@@H]1C2,C61037807_decoy,ADA,Decoy,0,-8.39301,-7.18,-1.14,-8.089620358520019
CC(C)C[C@@H]([NH3+])C(=O)NC[C@@H](C(=O)[O-])c1ccccc1,C61609107_decoy,ADA,Decoy,0,-6.79156,-5.52,-0.14,-4.821493926312433
C[C@@]([NH3+])(C(=O)NC[C@H](C(=O)[O-])c1ccccc1)C1CC1,C61609189_decoy,ADA,Decoy,0,-7.97483,-8.31,-0.02,-8.316007198872278
C#CC(CC)(CC)NC(=S)Nc1ccc(S(N)(=O)=O)cc1,C08683738_decoy,ADA,Decoy,0,-9.88161,-7.13,-1.0,-8.995714808722896
C[NH+](CCNc1cc(C(=O)[O-])c(N)cc1F)C1CC1,C62011513_decoy,ADA,Decoy,0,-7.45959,-5.08,-0.75,-5.383852992827062
Nc1ccc(NCCC[NH+]2CCCC2)cc1C(=O)[O-],C62081404_decoy,ADA,Decoy,0,-7.61406,-5.86,-0.72,-5.582245405259562
NC(=O)[C@H](NCCNC(=O)CC1CCCC1)c1ccccc1,C58418543_decoy,ADA,Decoy,0,-9.61224,-8.33,-0.69,-9.10884802949991
CSCC[C@H](NC(N)=O)C(=O)NCC1(C)CCCC1,C66442931_decoy,ADA,Decoy,0,-9.53479,-6.71,-1.26,-8.929490055452703
CC(C)C[C@H](NC(N)=O)C(=O)N[C@H]1C[C@@H]1c1cccc(F)c1,C67594198_decoy,ADA,Decoy,0,-9.89617,-8.45,-0.66,-9.480752881353483
CC[C@H](Sc1nsc(S[C@H](CC)C(N)=O)n1)C(N)=O,C03652343_decoy,ADA,Decoy,0,-9.40044,-5.62,-1.36,-8.3304968827966
NC(=O)NCCCNc1ccc([N+](=O)[O-])cc1Cl,C04740998_decoy,ADA,Decoy,0,-6.86559,-6.65,-0.11,-5.969885913910769
CC(C)C[C@H](NC(=O)CNC(=O)c1ccccc1)C(N)=O,C01569717_decoy,ADA,Decoy,0,-7.19575,-6.01,0.02,-5.9504898871211545
CC(C)C[C@@H](NC(N)=O)C(=O)NCCc1ccc2c(c1)OCO2,C29386192_decoy,ADA,Decoy,0,-7.65332,-7.94,-1.19,-8.673438157947293
C[C@H](NS(=O)(=O)c1ccc(NN)cc1[N+](=O)[O-])C1CC1,C35734086_decoy,ADA,Decoy,0,-8.48661,-7.09,-0.34,-12.61478642289047
C=CCNC(=O)c1ccc(N)c(OCC(=O)NCC(C)C)c1,C36291759_decoy,ADA,Decoy,0,-7.84254,-6.23,-0.41,-6.415823874128136
COC(=O)/C=C/c1cc(/C=C/C(=O)OC)c(N)cc1N,C03844937_decoy,ADA,Decoy,0,-7.71882,-6.2,-0.75,-6.674201207431376
CC[C@@H](NS(=O)(=O)c1ccccc1C(F)(F)F)/C(N)=N/O,C40376757_decoy,ADA,Decoy,0,-9.02369,-7.99,-1.55,-9.89987404320977
CCC[C@@H](NS(=O)(=O)c1ccccc1)/C(N)=N/O,C40376815_decoy,ADA,Decoy,0,-8.30836,-7.99,-3.58,-10.3672674589283
CCC[C@H](NS(=O)(=O)c1cccc(F)c1)/C(N)=N/O,C40376826_decoy,ADA,Decoy,0,-7.8046,-6.96,-1.96,-7.591811904042912
CCC(CC)(NS(=O)(=O)N1CCC(C)CC1)/C(N)=N/O,C40376950_decoy,ADA,Decoy,0,-8.44776,-7.37,-1.05,-9.16250516230066
CCN(CC)c1ncnc(NNC(=O)c2ccc(F)cc2)c1N,C40723267_decoy,ADA,Decoy,0,-7.1964,-6.75,-0.45,-5.474686805785543
COCCNc1ncnc(Nc2nc(C)c(C)s2)c1N,C40783082_decoy,ADA,Decoy,0,-7.29442,-6.84,-0.45,-6.700453126987037
CC(C)Oc1ccc([C@@](C)([NH2+]CCC(N)=O)C(=O)[O-])cc1,C41804594_decoy,ADA,Decoy,0,-7.61461,-6.97,-0.67,-7.760192551926521
CC[C@]([NH2+][C@@H](C)C(N)=O)(C(=O)[O-])c1ccc(OC)cc1,C41804865_decoy,ADA,Decoy,0,-6.58459,-6.54,-0.84,-6.437886593515918
CCC(CC)N(CCO)c1ccc(S(=O)(=O)NC)cc1N,C42501131_decoy,ADA,Decoy,0,-9.01519,-7.8,-0.68,-9.225929759477966
COCCCNC(=O)NNC(=O)Nc1ccccc1C,C42900208_decoy,ADA,Decoy,0,-7.24563,-6.32,-0.81,-5.564547365803076
CCOCCNC(=O)C1(/C(N)=N/O)CCCCCC1,C44785382_decoy,ADA,Decoy,0,-7.96098,-7.47,-0.54,-8.268310982164635
CCC[C@H](C(=O)N(CCO)C(CC)CC)/C(N)=N/O,C44878315_decoy,ADA,Decoy,0,-8.2428,-6.69,-1.28,-12.020220019026963
CCC(CC)(C(=O)NC[C@@H]1CCCOC1)/C(N)=N/O,C44976573_decoy,ADA,Decoy,0,-7.9659,-7.75,-0.64,-8.338867503618154
CC(C)[C@H](C)NC(=O)COC(=O)c1ccc(NC(N)=O)cc1,C03522888_decoy,ADA,Decoy,0,-7.34784,-7.13,-0.58,-7.747274886771589
Cc1csc(CNC(=O)NNC(=S)NC2CCCC2)n1,C45357701_decoy,ADA,Decoy,0,-8.38697,-6.95,0.27,-10.540346798927745
CCCNc1nnc(S[C@H](C(=O)NC(N)=O)C(C)C)s1,C07793221_decoy,ADA,Decoy,0,-7.81962,-6.24,-2.17,-6.521017647434393
CC[NH2+][C@@](C)(CCCSc1nccc([O-])n1)C(N)=O,C45548995_decoy,ADA,Decoy,0,-6.19304,-6.81,-0.4,-7.03796209093791
CCCNC(=S)NNC(=O)CCNC(=O)c1cccs1,C47530483_decoy,ADA,Decoy,0,-8.27378,-6.65,-0.3,-10.892827060780586
CC[C@@H](C)[C@@H](NC(N)=O)C(=O)NCc1ccc(C#N)cc1,C48154378_decoy,ADA,Decoy,0,-7.18952,-8.16,-0.06,-11.15329677577992
C[NH2+]CCCNS(=O)(=O)c1cc(C(=O)[O-])c(O)cc1C,C48838801_decoy,ADA,Decoy,0,-7.27076,-6.02,-0.7,-5.501824901534842
C[NH2+]CCCNC(=O)Nc1cc(C(=O)[O-])c(F)cc1F,C48840658_decoy,ADA,Decoy,0,-6.79286,-6.73,-0.69,-6.627211927707772
CC[NH2+]CCCNC(=O)Nc1cc(C(=O)[O-])ccc1C,C48841314_decoy,ADA,Decoy,0,-6.96977,-7.08,-0.7,-6.976581898540783
O=C(NCCC[NH2+]C1CC1)NCc1ccc(C(=O)[O-])cc1,C48841406_decoy,ADA,Decoy,0,-6.63964,-7.28,-1.09,-6.994440099339248
CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)CCc1ccco1,C49086092_decoy,ADA,Decoy,0,-7.19496,-6.44,-1.42,-6.794877573683356
C[C@@H](OCC1CC1)C(=O)Nc1ccc(NC(N)=O)cc1,C49141464_decoy,ADA,Decoy,0,-7.51384,-8.24,-0.89,-7.983113067826647
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccccc1NN,C49147422_decoy,ADA,Decoy,0,-9.56415,-7.84,-1.33,-8.81320097629072
C[C@@H](Cc1ccsc1)NS(=O)(=O)c1ccc(NN)nc1,C49186575_decoy,ADA,Decoy,0,-10.0909,-7.07,-0.62,-10.045614634611184
CCNC(=O)[C@H](C)Nc1ccc(N)c(OCC(C)C)n1,C49193495_decoy,ADA,Decoy,0,-6.45448,-6.53,-0.68,-6.687927269983601
CCOc1cccc([N-]S(=O)(=O)c2cc[nH+]c(NN)c2)c1,C49570796_decoy,ADA,Decoy,0,-10.3742,-7.54,-0.76,-8.965724942405812
CCCNC(=O)[C@H](C)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1,C36959516_decoy,ADA,Decoy,0,-6.94446,-7.0,-1.62,-5.84234994342151
CC[C@@H](C/C(N)=N/O)NS(=O)(=O)c1ccc2c(c1)CCC2,C54163463_decoy,ADA,Decoy,0,-10.0167,-8.16,-0.83,-10.709041125509344
NC(=O)NCCCCC(=O)NCCCOC1CCCC1,C61525053_decoy,ADA,Decoy,0,-7.74484,-6.74,-0.7,-6.516719975992874
CCCCS(=O)(=O)N[C@@H]1CCC[C@@H]1/C(N)=N/O,C61888199_decoy,ADA,Decoy,0,-8.37543,-7.14,-1.02,-9.120533809659182
COCCCNC(=O)NNC(=O)Nc1cc(F)cc(F)c1,C63399148_decoy,ADA,Decoy,0,-6.428,-7.22,-0.33,-7.017163861979614
CCCNC(=S)NNC(=O)CCNC(=O)OC(C)(C)C,C63615415_decoy,ADA,Decoy,0,-7.36415,-6.42,-1.02,-7.039250815410892
CCCNC(=O)CN(CCC)C(=O)[C@@H](CCC)NC(N)=O,C64301348_decoy,ADA,Decoy,0,-8.16555,-6.37,-0.52,-8.370867828224627
CC(C)CNC(=O)CNC(=O)NCC(=O)NC(C)(C)C,C64629752_decoy,ADA,Decoy,0,-6.12826,-6.94,-1.75,-6.672994023074734
CC(C)NC(=O)CCNC(=O)CNC(=O)NCC1CCCC1,C50560898_decoy,ADA,Decoy,0,-7.05409,-7.46,-1.22,-7.476883454452078
C[C@@H](CC(=O)NCCCS(N)(=O)=O)NC(=O)C1CCCC1,C66075815_decoy,ADA,Decoy,0,-8.73404,-6.75,-0.54,-7.810850705686584
C[C@H](CC(=O)NCCCS(N)(=O)=O)NC(=O)C1CCCC1,C66075817_decoy,ADA,Decoy,0,-9.20091,-6.03,-1.39,-8.629112527843757
CC(C)(C)NC(=O)CNC(=O)N1CCC[C@@H](CCC(N)=O)C1,C66119334_decoy,ADA,Decoy,0,-8.3599,-6.12,-0.83,-7.313143297248533
C[C@@H](NC(=O)C1CCC1)C(=O)NNC(=S)NC1CCCC1,C66144663_decoy,ADA,Decoy,0,-8.15632,-6.28,-0.75,-5.842446352030148
CCCNC(=O)NC(=O)CNc1cc(NC(C)=O)c(F)cc1F,C66375648_decoy,ADA,Decoy,0,-8.00706,-7.78,-0.6,-8.029894556126758
COC(=O)/C(=C\c1ccc(N)cc1)NC(=O)c1ccccc1,C04522832_decoy,ADA,Decoy,0,-7.71473,-6.1,-0.36,-5.439676382751432
C[C@H]1CCCC[C@H]1NC(=S)NNC(=O)c1ccccn1,C07557784_decoy,ADA,Decoy,0,-7.72256,-6.18,-1.5,-5.055198652774419
NC(=O)Cc1ccc(NS(=O)(=O)C2CCCCC2)cc1,C13849676_decoy,ADA,Decoy,0,-7.42882,-7.72,-1.17,-7.226151881673813
Cc1cccc(NC(=S)NNC(=O)c2ccoc2)c1C,C16232056_decoy,ADA,Decoy,0,-6.8913,-6.48,-0.46,-5.411946771321895
CCCCNS(=O)(=O)c1ccc2[nH]c(=S)[nH]c2c1,C06016330_decoy,ADA,Decoy,0,-8.12902,-6.83,-0.78,-8.104882213925356
O=C(CNc1ccc(F)cc1)NC(=O)NCC(F)(F)F,C22690524_decoy,ADA,Decoy,0,-5.04031,-7.54,-0.69,-8.51611422681483
C=CCNC(=O)NC(=O)[C@@H](C)Nc1ccc2c(c1)CCC2,C25094987_decoy,ADA,Decoy,0,-7.44696,-6.36,-0.41,-6.362022832939347
C=CCNC(=O)Nc1ccc(NC(=O)[C@H]2C[C@H]2C)cc1,C29202253_decoy,ADA,Decoy,0,-6.592,-6.16,-0.83,-5.500039996420467
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NN)cc1,C35354201_decoy,ADA,Decoy,0,-9.30875,-7.6,-0.66,-8.152778411244658
Nc1ccc(S(=O)(=O)NCCc2ccc(F)cc2)nc1,C36222592_decoy,ADA,Decoy,0,-7.65758,-7.43,-0.39,-7.431472694249154
COc1cc(N)c(C(=O)NCC2CCCCC2)cc1OC,C37259182_decoy,ADA,Decoy,0,-7.01132,-6.87,-1.0,-7.441030916431152
C[C@H]1CCCC[C@H]1NC(=O)C[NH2+]C1CCC(C(=O)[O-])CC1,C37561989_decoy,ADA,Decoy,0,-7.01435,-5.79,-1.28,-4.647941478126181
C[C@@H](Cc1ccco1)Nc1ccc(S(N)(=O)=O)cc1,C38093183_decoy,ADA,Decoy,0,-6.99023,-7.46,-1.7,-6.691400899921957
Cc1cc(N)cc(S(=O)(=O)NCCc2ccco2)c1C,C40347506_decoy,ADA,Decoy,0,-6.99524,-7.6,-1.51,-7.006449088208968
CC/C=C(/C)C(=O)N[C@@H](C)c1cccc(S(N)(=O)=O)c1,C40381133_decoy,ADA,Decoy,0,-7.7615,-7.44,-1.44,-8.650179812901364
CCc1c(C)nn([C@H](CC)C/C(N)=N/O)c1C,C40732738_decoy,ADA,Decoy,0,-7.15568,-6.92,-1.18,-7.237697311282561
CC(C)NC(=O)[C@@H](C)OC(=O)c1cc(F)ccc1N,C41063239_decoy,ADA,Decoy,0,-5.69815,-7.23,-1.07,-6.64090304940179
CCc1cc(=O)[nH]c(NCCc2c[nH]c3ccccc23)n1,C41603600_decoy,ADA,Decoy,0,-6.90244,-8.85,-0.44,-10.007274364785108
NC(=O)[C@@H]1CCCC[NH+]1Cc1ccc(/C=C/C(=O)[O-])cc1,C42406354_decoy,ADA,Decoy,0,-8.18063,-7.53,-0.46,-6.838862325476767
CCN(C[C@@H](C)/C(N)=N/O)C(=O)c1cc2c(s1)CCC2,C42445644_decoy,ADA,Decoy,0,-9.10755,-7.9,-0.72,-8.896585886357405
CC(C)N(CC1CC1)S(=O)(=O)c1ccc(O)c(N)c1,C42563311_decoy,ADA,Decoy,0,-9.33836,-6.79,-0.57,-10.057503059394364
C[NH2+]CCC(=O)Nc1ccc(Cl)cc1C(=O)[O-],C43605534_decoy,ADA,Decoy,0,-6.38162,-5.96,-0.3,-5.39095580516111
CCC(CC)N(C)C(=O)C1(/C(N)=N/O)CCCCC1,C44785323_decoy,ADA,Decoy,0,-6.95474,-7.08,-0.89,-7.650576720672658
CCN(Cc1cccs1)C(=O)C1(/C(N)=N/O)CCCC1,C44785862_decoy,ADA,Decoy,0,-7.90833,-6.9,-1.3,-7.663666530016414
CC(C)[C@@H](C(=O)N(C)CC1CCCCC1)/C(N)=N/O,C44873958_decoy,ADA,Decoy,0,-7.51716,-7.49,-1.48,-8.361693105456935
CN(CC(C)(C)C)S(=O)(=O)c1ccccc1NN,C45089998_decoy,ADA,Decoy,0,-8.55756,-7.3,-1.51,-8.473669442511486
C[C@@H]1C[C@H]1CNC(=O)NCC(=O)NC(C)(C)C,C48178063_decoy,ADA,Decoy,0,-5.90456,-5.38,-1.73,-4.777538641092842
O=C(C[C@H]1C[C@@H]2CC[C@H]1C2)NNC(=O)NCC(F)(F)F,C48831962_decoy,ADA,Decoy,0,-6.03916,-5.9,-2.56,-4.265471597969436
CCC[C@@H](NC(N)=O)C(=O)N1CCCC[C@H]1CC,C49103971_decoy,ADA,Decoy,0,-8.57293,-6.85,-0.05,-7.54203318975531
CCC[C@@H](NC(N)=O)C(=O)N(C)C1CCCCC1,C49105828_decoy,ADA,Decoy,0,-7.75093,-7.01,-0.97,-7.030004087443479
CCC[C@H](NC(N)=O)C(=O)N1CCC[C@H]1C1CCCC1,C49117773_decoy,ADA,Decoy,0,-7.36741,-6.98,0.11,-6.344268123341203
CCCNC(=O)NNC(=O)/C=C/c1ccccc1,C49279763_decoy,ADA,Decoy,0,-6.47808,-7.95,-0.03,-7.680670143675077
C[C@@H](NC(=O)NC1CCCCC1)C(=O)NCC(F)(F)F,C49370506_decoy,ADA,Decoy,0,-4.98658,-5.77,-0.75,-4.1576857779931125
O=C(CSc1ccccc1)NNC(=O)NC1CCCC1,C49458465_decoy,ADA,Decoy,0,-7.37477,-7.99,-1.08,-7.475882148944833
CCOc1nc(Nc2ccc(F)cc2OC)ccc1N,C49564553_decoy,ADA,Decoy,0,-7.89574,-6.48,-0.01,-7.191096266528898
CCc1ccc(C(=O)N(C)C[C@@H](C)/C(N)=N/O)s1,C49851728_decoy,ADA,Decoy,0,-7.8752,-7.19,-0.34,-7.869476395771781
CCc1[nH]nc(C(=O)N(Cc2cccs2)C2CC2)c1N,C50307411_decoy,ADA,Decoy,0,-7.2695,-6.97,-0.43,-10.736033439760384
CCC1=[NH+][C@H](c2ccc(OC)cc2OC)C(=[NH2+])N1C(C)C,C50988320_decoy,ADA,Decoy,0,-6.92794,-5.92,-0.46,-5.871852368428252
CC(C)SCc1cc([N+](=O)[O-])ccc1NN,C51151061_decoy,ADA,Decoy,0,-8.54315,-6.31,-1.0,-7.727696156491572
C[C@H](OC(=O)c1ccc(N)c(F)c1)C(=O)NC1CCCC1,C54413806_decoy,ADA,Decoy,0,-7.19564,-5.96,-2.15,-5.31383211363635
CC(C)(C)NC(=S)NN/C=C1\N=NC=C1Cl,C04693595_decoy,ADA,Decoy,0,-8.09001,-6.16,-0.38,-6.976617179277891
O=C(NNc1ccc(F)cc1)c1ccc(NC2CC2)nc1,C57200505_decoy,ADA,Decoy,0,-6.69806,-6.88,-0.95,-6.286821621290071
CCC1(CC)CN(C[C@@H](O)CO)c2ccc(O)cc2O1,C58004769_decoy,ADA,Decoy,0,-8.14144,-7.34,-0.28,-7.3748041082417695
CC(C)(C)Oc1nc(NC[C@@H]2CCOC2)ccc1N,C61146701_decoy,ADA,Decoy,0,-6.11481,-6.42,0.07,-5.901908844880855
CCC[C@]1(C(=O)[O-])CC[NH+](c2ccc(C(N)=O)cc2F)C1,C62934229_decoy,ADA,Decoy,0,-8.21766,-7.32,-0.68,-7.26577209169758
O=C(/C=C/c1c(F)cccc1F)NNC(=O)NCC1CC1,C65191994_decoy,ADA,Decoy,0,-6.68481,-8.07,-0.55,-7.548852222399487
CN(c1ccc(CNS(N)(=O)=O)cc1)C1CCCCC1,C65793995_decoy,ADA,Decoy,0,-10.0646,-7.48,-0.72,-7.647787333798299
C[C@@H](NC(=O)NCC1(C)CCCC1)C(=O)NC(C)(C)C,C66705066_decoy,ADA,Decoy,0,-6.84474,-6.17,-2.5,-5.003365395243544
Cc1cccc(NNC(=O)CNC(=O)c2ccccc2C)c1,C66778367_decoy,ADA,Decoy,0,-5.96703,-8.69,-1.02,-7.208992609048555
CC(C)CCC(=O)NNC(=O)N[C@H]1CCC[C@@H](C)[C@H]1C,C67381182_decoy,ADA,Decoy,0,-7.18877,-6.48,-0.75,-7.289177185513576
C[C@@H](OC(=O)c1cc2c(s1)CCCC2)C(N)=O,C04461754_decoy,ADA,Decoy,0,-7.48882,-7.66,-0.49,-7.648412654731193
CC(C)c1ccc(CNn2cn[nH]c2=S)cc1,C05901992_decoy,ADA,Decoy,0,-7.72307,-7.67,-0.58,-7.305607446229633
COc1cccc(Oc2ccc(N)cc2)c1OC,C11804882_decoy,ADA,Decoy,0,-6.44932,-6.7,-0.33,-5.488925918559318
CC[C@H](C)NC(=O)C(=O)N[C@H]1CCCC[C@@H]1C,C04700771_decoy,ADA,Decoy,0,-6.03303,-5.81,-0.37,-4.436972878575761
O=C([O-])CCC/[NH+]=C1\CCc2ccccc2N1,C17299531_decoy,ADA,Decoy,0,-6.92522,-6.74,-1.05,-6.564343867781884
O=C([O-])CCNc1cc[nH+]c2cc(Cl)ccc12,C19436173_decoy,ADA,Decoy,0,-7.4471,-7.47,-0.02,-6.160883793231557
CC(=O)Nc1cccc(NCc2ccc(C)o2)c1,C19917102_decoy,ADA,Decoy,0,-5.98078,-6.66,-0.7,-6.102822644678383
C[C@@H](Nc1cccc(C#N)c1)C(=O)NC(C)(C)C,C20316144_decoy,ADA,Decoy,0,-7.21193,-5.85,-0.6,-5.126921982669363
CC(C)CC(=O)NNC(=O)[C@H]1C[C@H]2CC[C@@H]1C2,C24608622_decoy,ADA,Decoy,0,-6.4197,-5.41,-0.34,-4.591639115675954
CC(=O)c1c(C)[nH]c(C(=O)NC[C@@H]2C[C@@H]2C)c1C,C32393358_decoy,ADA,Decoy,0,-5.8991,-5.8,-0.65,-4.718280996994445
CC(C)(C)OC(=O)N[C@H]1C=C[C@@H](CO)C1,C34619824_decoy,ADA,Decoy,0,-6.61506,-5.01,-0.08,-4.541314775925224
N#CCNC(=O)CNc1cc(Cl)ccc1F,C35284587_decoy,ADA,Decoy,0,-8.26141,-6.46,-0.67,-7.2197897181360515
CCCN(C)S(=O)(=O)c1c(C)cccc1N,C35347164_decoy,ADA,Decoy,0,-4.90139,-5.46,-0.91,-3.9611501691223134
CC(C)COc1ccc(S(N)(=O)=O)cc1F,C36948553_decoy,ADA,Decoy,0,-7.05758,-6.77,-0.37,-6.597121452187629
CCCOc1nc(N2CCC(C)CC2)ccc1N,C37066247_decoy,ADA,Decoy,0,-6.17308,-4.85,0.04,-3.9899507440883
O=C1NCCN1c1ccc(NCC2CC2)cc1,C37076239_decoy,ADA,Decoy,0,-6.33118,-7.24,-0.66,-6.769831898675003
O=C([O-])[C@@H](/[NH+]=C/c1ccccc1O)c1ccccc1,C19878595_decoy,ADA,Decoy,0,-7.51851,-7.39,-0.51,-9.870459068276146
C[C@@H](Nc1cn[nH]c1)c1ccc(N(C)C)cc1,C37260736_decoy,ADA,Decoy,0,-6.76849,-7.28,-0.38,-6.116502238724264
Cc1nc(-c2cccc(N[C@H](C)C3(C)CC3)c2)n[nH]1,C37781666_decoy,ADA,Decoy,0,-7.17147,-7.38,-0.42,-5.989094336064421
O=C(N/N=C/c1ccccc1)[C@@H](O)c1ccccc1,C00175000_decoy,ADA,Decoy,0,-6.89945,-9.01,-0.59,-8.080381006946833
C[C@]([NH2+]C1CCCCC1)(C(=O)[O-])c1ccncc1,C37971677_decoy,ADA,Decoy,0,-6.18597,-7.24,-0.56,-7.218132074815149
CCC(C#N)(CC)NC(=O)NC(C)(C)C,C40362136_decoy,ADA,Decoy,0,-6.48153,-4.73,-1.41,-4.394568431704808
CCc1cc(=O)[nH]c(NCc2ccccc2)n1,C41600290_decoy,ADA,Decoy,0,-5.91146,-8.52,0.04,-6.552144733748508
Cc1cc(=O)[nH]c(NCCC2=CCCCC2)n1,C41602633_decoy,ADA,Decoy,0,-6.87496,-7.92,-0.81,-6.623037535162156
NC(=O)/C=C\c1ccc(OC2CCCCC2)nc1,C44261540_decoy,ADA,Decoy,0,-6.59056,-6.81,-0.4,-5.7571163002644
O=C(COC1CCCCC1)Nc1ccccc1O,C45012427_decoy,ADA,Decoy,0,-6.30402,-5.89,-2.35,-4.426794553057229
O=C(CNC(=O)C1CC1)Nc1ccc(Cl)cc1,C45884839_decoy,ADA,Decoy,0,-6.40194,-5.59,-0.72,-4.575158794143543
Cc1ccc([C@H](C)NC(=O)N[C@@H](C)C2CC2)o1,C48049876_decoy,ADA,Decoy,0,-5.48558,-6.08,-0.41,-4.816642237483428
O=C(/C=C/c1ccccn1)NNc1ccc(F)cc1,C48687661_decoy,ADA,Decoy,0,-6.41225,-5.49,-0.45,-4.710725702071058
C/C(=C\C(=O)NNC(=O)C1CCCC1)C1CC1,C48702312_decoy,ADA,Decoy,0,-5.9849,-5.9,0.11,-4.7216901916855685
CNc1cc(C(=O)NCC(C)(C)C)cc(Cl)n1,C50773477_decoy,ADA,Decoy,0,-6.75546,-5.19,-0.5,-4.267122953756345
CNc1ccc(C(=O)NCc2ccc(C)o2)cc1,C53043751_decoy,ADA,Decoy,0,-6.5639,-6.97,-0.89,-6.36715831458166
CC(C)c1cc(NC2(CO)CCCC2)ncn1,C53070891_decoy,ADA,Decoy,0,-6.60904,-7.51,0.09,-7.140012311645251
COC[C@H](C)Nc1cc2c(cc1Cl)NC(=O)C2,C53173447_decoy,ADA,Decoy,0,-6.1776,-6.58,-0.3,-5.456930115780574
O=c1[nH]c(NCCc2ccccc2)nc2c1CCC2,C05009580_decoy,ADA,Decoy,0,-6.95636,-8.17,-1.12,-7.086932024594213
CC(C)CNc1[nH+]c2c(cc1C(=O)[O-])CCCC2,C54527123_decoy,ADA,Decoy,0,-7.39675,-5.62,-0.3,-4.740935055788726
Cc1n[nH]c(-c2ccccc2N[C@@H](C)C2CC2)n1,C36997213_decoy,ADA,Decoy,0,-6.36257,-7.04,0.11,-7.873546875401325
Cc1n[nH]c(-c2ccccc2N[C@H](C)C2CC2)n1,C36997214_decoy,ADA,Decoy,0,-6.30035,-7.16,-1.22,-6.100312363368599
CCCSc1nnc(-c2cccs2)n1N,C57964587_decoy,ADA,Decoy,0,-7.1562,-6.05,-0.38,-6.837729710211264
CC(=O)/C=C(\C)NNC(=O)c1cccc(Cl)c1,C59460066_decoy,ADA,Decoy,0,-6.37634,-6.73,-0.62,-6.04347057827992
CC[C@H](C)Sc1nnc(C(C)C)n1N,C59913757_decoy,ADA,Decoy,0,-6.55119,-4.67,-0.7,-4.918201787272925
Nc1ccc(Cl)c(COC[C@@H]2CCOC2)n1,C61640530_decoy,ADA,Decoy,0,-6.10706,-6.46,-0.41,-6.805226558400872
Cc1ccccc1NS(=O)(=O)NC(C)C,C62106960_decoy,ADA,Decoy,0,-6.13703,-5.64,-0.43,-4.56541531767888
COCCNc1[nH]nc2c1Cc1ccccc1-2,C62669780_decoy,ADA,Decoy,0,-6.41801,-7.18,-0.17,-5.363135677369461
CC(C)NC(=O)CNc1cc(Cl)ccc1C#N,C62785309_decoy,ADA,Decoy,0,-7.42514,-6.16,-1.12,-5.052245401901084
COC[C@@H](C)N(C)c1nc2ccc(N)cc2s1,C63103849_decoy,ADA,Decoy,0,-6.45484,-5.68,-0.43,-4.667348501949774
CCC(=O)NCC(=O)N[C@@H]1CCCC[C@@H]1C,C63662339_decoy,ADA,Decoy,0,-5.83693,-5.13,-0.54,-4.423721720628668
O=C(CSC1CCCCC1)NC(=O)NC1CC1,C07602832_decoy,ADA,Decoy,0,-7.18414,-6.67,-0.08,-6.452793298543227
C[C@@H](CC(=O)Nc1[nH+]cccc1[O-])C(C)(C)C,C66618637_decoy,ADA,Decoy,0,-6.58362,-5.33,-0.74,-4.393487068972543
CCC[C@H]1C[NH2+]CCN1c1ccc(C(=O)[O-])cc1,C67173117_decoy,ADA,Decoy,0,-6.93981,-6.43,0.31,-5.836724387872672
Cc1cc(C)cc(N(Cc2ccco2)C(=O)C[NH3+])c1,C32110602_decoy,ADA,Decoy,0,-6.59283,-7.47,-1.15,-6.922436373830322
CC[C@](O)(C[NH2+]C)c1ccc2c(c1)OCCO2,C33466044_decoy,ADA,Decoy,0,-6.79342,-5.32,-0.09,-4.837293340532201
C[C@@H](O)C[NH2+]Cc1cc(Cl)c2c(c1)OCO2,C35111561_decoy,ADA,Decoy,0,-7.01421,-6.11,-1.32,-5.606145467620936
CC[NH2+][C@H](c1ccc2c(c1)NC(=O)CO2)[C@@H]1C[C@@H]1C,C35558601_decoy,ADA,Decoy,0,-6.67855,-7.42,0.67,-6.615464884654428
CC(C)N(CCO)C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1,C36136060_decoy,ADA,Decoy,0,-7.38145,-5.6,-0.8,-4.977878840798513
C[C@H](Cc1ccco1)NC(=O)[C@H]1CCCC[NH2+]1,C37021151_decoy,ADA,Decoy,0,-6.25932,-6.01,-0.57,-5.006441362006498
CC(C)(C)[C@@H]1CCCC[C@@H]1[NH2+]Cc1nc[nH]n1,C37919136_decoy,ADA,Decoy,0,-7.15395,-6.31,-0.25,-6.233965688856287
Cc1cc(C[NH2+]C[C@H]2COCCO2)cc(C)c1O,C37998049_decoy,ADA,Decoy,0,-7.37512,-7.12,-4.53,-7.213036422415895
CC(C)C[NH2+][C@@H](C)c1ccc2c(c1)NC(=O)CO2,C20085884_decoy,ADA,Decoy,0,-6.81242,-6.46,-0.01,-5.80599707815891
C[C@H](c1ccc2c(c1)OCO2)[C@@H](C[NH3+])N(C)C,C41270986_decoy,ADA,Decoy,0,-7.31351,-6.27,-0.88,-6.865599939808073
CC[C@H]1CCCCN1S(=O)(=O)CC(C)(C)[NH3+],C41302334_decoy,ADA,Decoy,0,-5.99605,-5.73,-0.69,-5.696210322261796
N#C[C@H]1CCCC[C@@H]1[NH+](CC(N)=O)C1CCCC1,C42428835_decoy,ADA,Decoy,0,-7.40975,-5.79,-1.91,-6.302204089166806
C[C@H]1CC[C@H](C(=O)N(CCO)C2CCCC2)C[NH2+]1,C42526418_decoy,ADA,Decoy,0,-7.87475,-7.25,-0.89,-8.408522540607656
O=C(C[C@@H]1CCC[NH2+]1)NC[C@@H]1CCCCO1,C42823270_decoy,ADA,Decoy,0,-6.14846,-5.2,-0.42,-4.218005790227852
Oc1cc2c(cc1C[NH2+]CC(F)(F)F)OCO2,C42878980_decoy,ADA,Decoy,0,-5.13523,-6.0,-0.73,-5.106964693057569
C[C@H]1CCC[NH+](CCNC(=O)NC2CC2)C1,C42933713_decoy,ADA,Decoy,0,-6.14544,-6.32,-0.81,-6.3075483219173645
CC[C@H]([NH3+])[C@H](c1ccco1)N1CCOC(C)(C)C1,C43335314_decoy,ADA,Decoy,0,-6.2569,-6.38,-0.44,-5.115896732514091
[NH3+]Cc1cc2c(nc1OC[C@@H]1CCCO1)CCC2,C43405827_decoy,ADA,Decoy,0,-8.18104,-6.35,0.17,-5.962264584788021
Cc1nnc(CC2(C[NH3+])CCCCC2)n1C(C)C,C43413931_decoy,ADA,Decoy,0,-6.5587,-6.08,-0.68,-6.639862042586769
C[NH2+]CCC(=O)Nc1nc2c(s1)CCCC2,C43606334_decoy,ADA,Decoy,0,-7.60953,-6.79,-0.75,-7.1631411178282
Cc1cc([C@H](C)[NH2+][C@@H](C)c2ccn[nH]2)c(C)o1,C44730004_decoy,ADA,Decoy,0,-7.04088,-7.32,-0.15,-6.4684190295462205
C[C@@](N)(C#N)CCC[NH+]1CCO[C@H]2CCCC[C@@H]21,C45319117_decoy,ADA,Decoy,0,-8.16952,-7.66,-1.98,-7.281558692539009
[NH3+]C1(C(=O)OC[C@@H]2CCCCO2)CCCCC1,C48632787_decoy,ADA,Decoy,0,-6.66661,-5.63,-0.97,-5.458254464503513
C[C@H]1CCCC[C@H]1NS(=O)(=O)C[C@@H]1CCC[NH2+]1,C49641760_decoy,ADA,Decoy,0,-7.88986,-5.85,-0.75,-5.260541121768801
O=C(C[NH+]1CCCC[C@H]1CO)NC1CCCCC1,C49751183_decoy,ADA,Decoy,0,-7.4677,-6.38,-0.93,-7.797813544102785
CC(C)([NH3+])CCc1nc(-c2cccs2)no1,C50196428_decoy,ADA,Decoy,0,-7.27214,-5.84,-0.06,-5.445051060431511
CNc1ccc(C(=O)N[C@@H]2CC[NH+](C3CC3)C2)cc1,C50779351_decoy,ADA,Decoy,0,-7.40238,-3.44,-1.08,-3.703696670682559
C[NH+](Cc1nnsc1N)CC1CCCCC1,C50817686_decoy,ADA,Decoy,0,-7.43724,-6.68,-0.75,-6.426252127241201
O=C([O-])c1ccc(C[NH2+][C@H]2C[NH+]3CCC2CC3)cc1,C22937041_decoy,ADA,Decoy,0,-7.60136,-7.29,-0.57,-5.997416315448513
CCS(=O)(=O)c1ccc(N[C@@H]2CC[NH2+]C2)cc1,C52093796_decoy,ADA,Decoy,0,-7.06312,-6.54,-0.61,-5.88421780492735
C[C@@H](NC(=O)CN1CC[NH2+]CC1)C1CCCCC1,C52342380_decoy,ADA,Decoy,0,-6.86702,-7.29,-1.13,-8.649426964921192
CCc1c(C)nn(Cc2cc(C[NH3+])c(C)o2)c1C,C52592031_decoy,ADA,Decoy,0,-6.74342,-7.23,-0.53,-5.698785997221788
CCc1c(C)nn(Cc2ccoc2C[NH3+])c1C,C52592044_decoy,ADA,Decoy,0,-6.66195,-6.14,-1.95,-6.644611700493147
CC[C@@H](CC#N)NC(=O)[C@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1,C54179981_decoy,ADA,Decoy,0,-8.14862,-7.21,-3.95,-7.300748010686692
CC(C)NC(=O)C[NH2+][C@H]1CCCC[C@H]1C#N,C54825324_decoy,ADA,Decoy,0,-7.4252,-5.92,-1.04,-6.6914733363477925
O=S(=O)(NC[C@H]1CCC[NH2+]C1)C1CCCCC1,C38137357_decoy,ADA,Decoy,0,-8.04987,-5.61,-0.65,-4.939442503787976
CCN(c1n[nH+]c(C)c(C)c1CN)C1CC1,C40290369_decoy,ADA,Decoy,0,-6.18636,-6.41,-1.99,-5.783637007911925
COc1ccc2c(c1)[C@@H]([NH2+][C@@H](C)C(C)C)C(=O)N2,C42101980_decoy,ADA,Decoy,0,-6.61621,-6.78,0.35,-5.726050040130524
CC(C)(C)NC(=O)C[NH+]1CCC[C@@H]1[C@@H]1CCCN1,C51360074_decoy,ADA,Decoy,0,-6.72482,-4.79,0.35,-4.282358941526521
N#C[C@H]1CCC[C@H]1NC(=O)CCC1CC[NH2+]CC1,C61890702_decoy,ADA,Decoy,0,-7.99493,-5.31,-0.56,-4.846992543996978
C[C@H]([NH3+])[C@@H](c1ccco1)N(C)c1ccc(C#N)cc1,C61949856_decoy,ADA,Decoy,0,-6.01818,-5.78,0.27,-4.737952947591226
C[C@@H]([NH3+])[C@H](c1ccco1)N(C)c1ccc(C#N)cc1,C61949859_decoy,ADA,Decoy,0,-9.18883,-7.02,-0.86,-6.336565840166161
CCC[C@@](C)([NH3+])C(=O)N(C)c1ccc(C#N)cc1,C61980669_decoy,ADA,Decoy,0,-8.66326,-5.38,-0.48,-6.656221216208584
CC(C)O[C@@H](C[NH3+])c1ccc2c(c1)OCO2,C62711753_decoy,ADA,Decoy,0,-6.88573,-6.31,-0.49,-6.807315373516652
CCC1(C(=O)N[C@@H]2CCC[C@@H]2OC)CC[NH2+]CC1,C62850212_decoy,ADA,Decoy,0,-6.43088,-4.71,-0.1,-4.121158193150052
CC[C@@]1(C(=O)NCc2ccc(C)o2)CCC[NH2+]C1,C62861031_decoy,ADA,Decoy,0,-6.79049,-6.72,-0.24,-5.937437462161991
CC[C@@]1(C(=O)N[C@H](C)c2ccc(C)o2)CC[NH2+]C1,C62892213_decoy,ADA,Decoy,0,-6.54866,-7.1,-2.28,-5.785346910320442
C[NH+](C)[C@H]1CCN(C[C@@](N)(C#N)c2ccccc2)C1,C62968434_decoy,ADA,Decoy,0,-7.37189,-7.89,-0.96,-7.100056625215591
[NH2+]=C(NC[C@H]1CCS(=O)(=O)C1)C1CCCC1,C62991139_decoy,ADA,Decoy,0,-7.18774,-7.55,-0.48,-7.037171259654415
CNC(=O)NC[C@@H]1CCC[NH+]1CC1CCCCC1,C67580858_decoy,ADA,Decoy,0,-7.14759,-6.56,-1.22,-6.659548266042887
C#CC(CC)(CC)NC(=O)C[NH+]1CCNC(=O)C1,C15479813_decoy,ADA,Decoy,0,-6.40597,-6.47,-0.66,-5.809696402063122
CCN(CC)[C@H](C[NH3+])c1ccc([N+](=O)[O-])cc1,C32021801_decoy,ADA,Decoy,0,-6.4978,-5.87,-0.09,-6.109008666999897
c1cc(CNc2ccc(N3CCCC3)[nH+]c2)n[nH]1,C36982263_decoy,ADA,Decoy,0,-6.53121,-7.05,-0.34,-6.191767774339567
CNC(=O)CN(C)C(=O)C[C@@H]1CCCC[NH2+]1,C37271784_decoy,ADA,Decoy,0,-5.71004,-5.87,-0.74,-6.185054254304648
[NH3+]Cc1cc([N+](=O)[O-])ccc1OC/C=C/Cl,C37710000_decoy,ADA,Decoy,0,-6.17728,-5.62,0.23,-5.579702471885003
CCCn1cc(NC(=O)C[NH2+]C2CC2)ccc1=O,C37766215_decoy,ADA,Decoy,0,-6.02448,-5.57,-1.12,-5.156954003311738
C[C@@H]([NH3+])CC(=O)N(C)Cc1ccc2c(c1)OCO2,C37801124_decoy,ADA,Decoy,0,-7.87757,-6.75,-0.64,-7.341567348956188
CCC[C@@](C)([NH3+])C(=O)N1CCC[C@H]1C(=O)OC,C37804287_decoy,ADA,Decoy,0,-6.78556,-5.84,-0.16,-5.416742206561529
CCC[C@@](C)([NH3+])C(=O)N(C)Cc1c(C)noc1C,C37819185_decoy,ADA,Decoy,0,-5.91394,-6.08,-0.71,-6.009286616333478
COCCOc1ccc(NC2CC[NH2+]CC2)cn1,C38041033_decoy,ADA,Decoy,0,-6.73875,-6.08,-0.63,-6.380550754319856
O=C([O-])c1ccc(C[NH2+]CC[NH+]2CCCCC2)o1,C19797654_decoy,ADA,Decoy,0,-7.72058,-5.48,-0.74,-5.696924053444719
COc1ccc(C[NH3+])c(OCc2ccno2)c1,C40903291_decoy,ADA,Decoy,0,-6.52729,-6.15,-1.51,-6.830413107332758
CCn1cc(NC(=O)C[C@@H]2CCC[NH2+]2)ccc1=O,C42168266_decoy,ADA,Decoy,0,-6.61843,-6.6,-0.84,-5.820591034453458
COCCc1noc(C2([NH3+])CCCCC2)n1,C42436301_decoy,ADA,Decoy,0,-6.14593,-6.46,0.38,-6.542326387192646
COCCc1noc([C@@]2([NH3+])CCC[C@H](C)C2)n1,C42436305_decoy,ADA,Decoy,0,-6.56652,-5.54,0.3,-5.260516852626421
C[NH2+]Cc1nc(C(=O)N[C@H]2CCCC[C@H]2C)co1,C43217592_decoy,ADA,Decoy,0,-6.53183,-7.29,-0.53,-10.581966512953583
CNC(=O)NC(=O)CC[NH+](C)CC1CCCCC1,C46511080_decoy,ADA,Decoy,0,-6.61818,-6.42,-0.04,-6.751516005798265
C[NH+](CC(=O)NC(=O)NC1CCCC1)CC1CC1,C48367380_decoy,ADA,Decoy,0,-6.46176,-6.72,-1.02,-7.152971909017233
C[C@@H](C(=O)NC(=O)NC(C)(C)C)[NH+](C)CC1CC1,C48580131_decoy,ADA,Decoy,0,-6.20617,-5.17,-0.43,-4.741104187025526
CCNC(=O)NC(=O)C[NH+](C)C1CCC(C)CC1,C49000412_decoy,ADA,Decoy,0,-6.83867,-7.63,-1.11,-7.267057214962858
CCC(C)(C)NC(=O)C[NH+]1CCC(=NO)CC1,C49281997_decoy,ADA,Decoy,0,-7.57628,-5.42,-0.56,-5.394731236170041
C=CC[NH+](CC(=O)NC(=O)NC)C1CCCC1,C49332303_decoy,ADA,Decoy,0,-6.59982,-6.28,0.31,-7.018502148202656
CCNC(=O)CN(C)C(=O)C[C@@H]1CCCC[NH2+]1,C49716927_decoy,ADA,Decoy,0,-6.03785,-6.6,-2.18,-8.602525337796616
COc1ccnc(N[C@H](C)[C@@H]2CCC[NH2+]C2)n1,C50164006_decoy,ADA,Decoy,0,-6.37961,-6.08,-0.41,-5.77649835681308
Cc1[nH]ncc1CCC[NH2+]Cc1csnn1,C50182694_decoy,ADA,Decoy,0,-7.18266,-6.07,-0.61,-6.496295897830353
[NH3+]Cc1ccc([N+](=O)[O-])c(OC/C=C/Cl)c1,C50516353_decoy,ADA,Decoy,0,-5.56126,-5.19,-0.04,-4.32765735784746
COc1ccccc1Oc1ccc(C[NH3+])nn1,C51549698_decoy,ADA,Decoy,0,-6.02916,-6.31,-0.7,-4.973744992062556
CN(CCn1cc(C[NH3+])nn1)c1ccc(F)cc1,C52540511_decoy,ADA,Decoy,0,-8.71885,-6.99,-0.5,-8.35536257374037
C[C@@H]1CCC[C@H](OCCn2cc(C[NH3+])nn2)C1,C52631979_decoy,ADA,Decoy,0,-8.99371,-6.39,-0.98,-7.549193234821292
C[C@H]1CC=CC[C@@H]1COCCn1cc(C[NH3+])nn1,C52633029_decoy,ADA,Decoy,0,-9.24309,-6.15,-0.62,-6.714523522281359
O=[N+]([O-])c1cccc(CN[C@@H]2CCC[NH2+]C2)c1,C52926242_decoy,ADA,Decoy,0,-6.07795,-6.34,-0.33,-5.321809959901727
CCOCCc1nc(C2([NH3+])CCCCC2)no1,C53734142_decoy,ADA,Decoy,0,-6.78381,-6.03,0.24,-5.747943214477535
[NH3+]CCCc1noc(-c2cc3ccccc3o2)n1,C54139225_decoy,ADA,Decoy,0,-6.5089,-4.74,-0.4,-3.7119341227378286
C[NH2+]CCNS(=O)(=O)N(C)C1CCCCC1,C54244558_decoy,ADA,Decoy,0,-7.45196,-6.36,-0.73,-7.721977430799433
CC[NH2+]CCNc1cc([N+](=O)[O-])ccc1C,C54267374_decoy,ADA,Decoy,0,-5.46246,-6.4,-0.36,-5.500352467203137
Cc1ccc([C@H](C)N(C)CC[NH3+])cc1[N+](=O)[O-],C54416838_decoy,ADA,Decoy,0,-4.31278,-6.54,-1.04,-5.284538181012078
CCCOCCc1nc(C2([NH3+])CCCC2)no1,C54435830_decoy,ADA,Decoy,0,-6.31639,-4.82,0.26,-4.318986258552104
[NH3+]C[C@@H]1CCCN(Cc2ccc([N+](=O)[O-])cc2)C1,C44527727_decoy,ADA,Decoy,0,-7.0095,-7.13,-0.13,-6.250560728800711
C[C@@H](c1cccc([N+](=O)[O-])c1)N1CC[C@H](C[NH3+])C1,C50245171_decoy,ADA,Decoy,0,-6.46567,-6.53,-0.31,-5.767765550029308
C[NH2+][C@H](C)c1nc2cc(OC)c(OC)cc2[nH]1,C54053060_decoy,ADA,Decoy,0,-6.37982,-6.63,-0.33,-6.639388843485796
CCNC(=O)NC(=O)C[NH+](CC)C1CCCC1,C47966638_decoy,ADA,Decoy,0,-6.32447,-5.54,0.25,-5.36726078740239
CCCn1cc(NC(=O)C(C)(C)[NH2+]C)ccc1=O,C61316689_decoy,ADA,Decoy,0,-6.25199,-6.48,-0.39,-5.928605604726223
CCCn1ccnc(NC[C@@H]2CCCC[NH2+]2)c1=O,C61767900_decoy,ADA,Decoy,0,-6.74481,-6.82,-0.76,-6.76906772167217
CCC([NH3+])(CC)c1noc([C@H]2CCCOC2)n1,C62243484_decoy,ADA,Decoy,0,-6.14774,-7.06,0.29,-7.025908112691385
Cc1cc(C)nc(NCC[NH2+]Cc2ccco2)n1,C62717870_decoy,ADA,Decoy,0,-6.07911,-5.84,-0.6,-5.413129526017985
CCC[C@]1(C(=O)Nc2cc(C)no2)CCC[NH2+]C1,C62851878_decoy,ADA,Decoy,0,-6.66784,-4.49,-0.23,-4.019707147645671
CCC[C@@]1(C(=O)Nc2nncs2)CCC[NH2+]C1,C62852985_decoy,ADA,Decoy,0,-8.44246,-4.6,0.71,-4.981708395412977
CC(C)(C)[C@H]([NH3+])Cc1ccc([N+](=O)[O-])cn1,C63025192_decoy,ADA,Decoy,0,-5.62269,-6.63,0.15,-6.192199405102748
CCC[NH+]1CCC(NC(=O)CNC(=O)CC)CC1,C63681307_decoy,ADA,Decoy,0,-6.08966,-6.46,-1.6,-5.750505637009708
Clc1ccc(C[NH2+]CCNc2ncccn2)o1,C67255775_decoy,ADA,Decoy,0,-6.93675,-6.58,-0.52,-9.601554547148096
CCOc1ccc(NCC(=O)N/N=C/c2ccc(N(CC)CC)cc2O)cc1,C05794814_decoy,ADA,Decoy,0,-9.67231,-8.4,-1.34,-8.867094865408799
COCCCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1Cl,C08223569_decoy,ADA,Decoy,0,-8.42311,-6.54,-1.93,-10.117563613603371
CCCCN(C(=O)CSCc1ccccc1C)c1c(N)n(CCC)c(=O)[nH]c1=O,C09620103_decoy,ADA,Decoy,0,-7.7086,-6.28,-1.65,-7.228543777905184
O=C(COC(=O)c1ccccc1NCCO)Nc1ccccc1Sc1ccccc1,C09162897_decoy,ADA,Decoy,0,-9.69861,-9.55,-1.37,-10.335927649894018
CCOc1ccc(O[C@H](C)C(=O)NNC(=O)C[C@H](C)NC(=O)c2ccccc2)cc1,C11238108_decoy,ADA,Decoy,0,-6.99025,-8.06,-1.61,-7.617169082608615
COCCOc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1,C09230622_decoy,ADA,Decoy,0,-8.56891,-7.66,-0.8,-7.7924903208579055
COCCCNC(=O)c1ccc(NC(=S)NC(=O)/C=C/c2ccc(Cl)cc2)cc1,C13615424_decoy,ADA,Decoy,0,-10.1869,-7.92,-1.43,-8.258307580314385
CCOC(=O)c1ccc(OCC(=O)NNC(=S)NC(=O)C(C)(C)C)cc1,C14027592_decoy,ADA,Decoy,0,-7.91445,-7.08,-1.8,-7.127160963140149
COCCCN/C(=N\C(=S)Nc1ccc(C)cc1Cl)Nc1nc(C)cc(C)n1,C14158640_decoy,ADA,Decoy,0,-10.1085,-6.2,-2.7,-6.609291863941587
CC[C@@H](C)NC(=O)c1cccc(NC(=S)NC(=O)/C=C/c2ccc(OC)c(OC)c2)c1,C14836365_decoy,ADA,Decoy,0,-9.87451,-8.09,-0.75,-7.389599840289801
COc1cc(/C=C/C(=O)NNC(=S)NCCC(C)C)ccc1OC(F)F,C15533388_decoy,ADA,Decoy,0,-7.99667,-7.5,-0.46,-7.793575342080836
CCOc1cc(/C=C/C(=O)NNC(=S)NCc2ccccc2)ccc1OC,C15873029_decoy,ADA,Decoy,0,-9.98949,-8.59,-1.33,-8.932853998125916
CCOCCOc1ccccc1C(=O)NC(=S)Nc1cccc(C(=O)NC(C)(C)C)c1,C20117091_decoy,ADA,Decoy,0,-9.28222,-8.2,-0.65,-18.51169596392966
CCN(CC)c1ccc(/C=N/NC(=S)NCCN2CCOCC2)c(O)c1,C20931421_decoy,ADA,Decoy,0,-10.2445,-7.23,-0.94,-8.40707554352028
CCCC[C@H](C=O)NC(=O)[C@H](CC(C)C)NC(=O)[C@H](CC(C)C)NC(C)=O,C25723684_decoy,ADA,Decoy,0,-7.9074,-6.06,-2.51,-6.43237994928218
CCCN(C(=O)CCCCC[NH3+])C1=C(C)C[C@H](c2ccccc2)N(CCC(=O)[O-])C1=O,C28869401_decoy,ADA,Decoy,0,-8.57096,-6.07,-0.4,-7.630477002975552
CCCCNC(=O)N[C@@H](C(=O)N1CCN(C(=O)NCCCC)[C@H](C)C1)[C@H](C)CC,C35004486_decoy,ADA,Decoy,0,-7.83374,-4.56,-0.86,-4.7351279141827645
CCOc1ccc(NC(=S)/N=C(\NCC(C)C)Nc2nc(C)cc(C)n2)cc1,C14156281_decoy,ADA,Decoy,0,-8.39097,-6.34,-1.24,-6.031666493528337
CCNC(=S)Nc1cc(OCC)c(NC(=O)c2cccs2)cc1OCC,C08685865_decoy,ADA,Decoy,0,-8.72164,-6.36,-0.48,-7.132424609318887
CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nnc(SCC(N)=O)s2)cc1,C22533940_decoy,ADA,Decoy,0,-10.6974,-6.65,-1.79,-7.431955287762634
COc1cc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1OCc1cccc(C)c1,C40721650_decoy,ADA,Decoy,0,-9.06904,-9.48,-1.96,-12.153663042138255
CCN(CCCNC(=O)NNC(=O)COc1ccc(C#N)cc1)c1ccccc1,C45127075_decoy,ADA,Decoy,0,-9.68589,-9.12,-0.94,-13.220604285377314
CCCOc1c(Cl)cc(/C=C/C(=O)Nc2ccccc2SCC(N)=O)cc1OC,C45530994_decoy,ADA,Decoy,0,-10.4849,-7.34,-1.07,-8.443894947169985
CC[NH+](c1ccc(NC(=O)COC(=O)/C(=C/c2ccccc2)NC(C)=O)cc1)C(C)C,C03493023_decoy,ADA,Decoy,0,-9.23361,-9.55,-2.04,-14.116508550111297
Cc1ccc(OCCCCNC(=O)NNC(=O)COc2ccc(C#N)cc2)cc1,C46785909_decoy,ADA,Decoy,0,-8.58596,-7.86,-1.15,-8.590572478194362
CN(CCCCCc1cc(-c2ccccc2)n[nH]1)C(=O)NCCNC(=O)C1CC1,C52500474_decoy,ADA,Decoy,0,-7.42598,-7.61,-0.51,-9.043952793324513
CCOc1ccc(O[C@H](C)C(=O)NN[C@H](C(=O)NC(C)C)c2ccccc2)cc1,C56143282_decoy,ADA,Decoy,0,-8.85174,-7.17,-2.13,-7.258318747087789
CCOCCOCc1cccc(N[C@@H](C)C(=O)Nc2cccc(NC(C)=O)c2)c1,C56188773_decoy,ADA,Decoy,0,-8.82891,-7.7,-2.59,-9.186948944047291
COc1ccccc1C(=O)N[C@@H](CCSC)C(=O)NNc1cccc(C(F)(F)F)c1,C57351397_decoy,ADA,Decoy,0,-8.60835,-8.32,-1.83,-11.61911206883426
C=CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2ccccc2F)n1,C59015044_decoy,ADA,Decoy,0,-9.97343,-8.85,-0.64,-13.020678552257529
CC[C@@H](C)NC(=O)c1cccc(CNC(=O)[C@@H](CC(C)C)NC(=O)c2ccccc2C)c1,C59118918_decoy,ADA,Decoy,0,-8.487,-7.94,-4.11,-9.162045460946134
CCc1c(C(=O)NNC(=O)c2ccc(OCCC(C)C)c(OC)c2)[nH]c(C)c1C(C)=O,C59364231_decoy,ADA,Decoy,0,-9.11526,-6.71,-1.09,-7.4944946202999265
COc1ccc(C(=O)NC(=S)NCCCNc2ccc(Cl)cc2[N+](=O)[O-])cc1,C59438869_decoy,ADA,Decoy,0,-8.23614,-7.73,-0.71,-7.715323641131516
CCCOc1ccc(C(F)(F)F)cc1NC(=O)CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21,C59875558_decoy,ADA,Decoy,0,-8.23718,-8.69,-0.76,-7.937765301797185
CCCCCNC(=O)NNC(=O)CSCc1cc(-c2cccs2)on1,C61431328_decoy,ADA,Decoy,0,-8.36944,-7.52,-2.97,-8.214566468213139
CNS(=O)(=O)CCNC(=O)[C@@H](Cc1ccccc1)NC(=O)OC(C)(C)C,C62511064_decoy,ADA,Decoy,0,-7.60354,-5.43,-2.46,-5.623947703035496
CCOCCCNC(=S)NNC(=O)CCCCOc1cc(C)ccc1C,C63123382_decoy,ADA,Decoy,0,-8.65127,-6.87,-1.19,-6.930708287203963
COCCOc1ccccc1NC(=O)NCCNc1ncccc1C(F)(F)F,C63163627_decoy,ADA,Decoy,0,-7.35078,-8.27,-1.18,-10.209201349644736
CCOc1ccc([C@H](NC(=O)NCC(=O)NCC(C)C)C(C)C)cc1OCC,C64628800_decoy,ADA,Decoy,0,-8.73965,-7.34,-1.21,-8.031204214141056
C=C(C)COc1ccc(NC(=O)CNc2cccc(C(=O)NCc3ccco3)c2)cc1,C66086025_decoy,ADA,Decoy,0,-8.09191,-9.24,-0.79,-8.672153523452936
C=C(C)COc1cccc(NC(=O)CNc2cccc(C(=O)NCCCOC)c2)c1,C66094865_decoy,ADA,Decoy,0,-9.06159,-6.77,-1.2,-6.815312940456074
CCS(=O)(=O)NCCCNC(=O)NCCOc1ccccc1C(C)(C)C,C66599232_decoy,ADA,Decoy,0,-8.58129,-7.7,-2.2,-9.61669493557763
CC(C)C[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[nH]c(=S)n1C(C)C,C67073087_decoy,ADA,Decoy,0,-8.43057,-7.53,-1.08,-12.46246857410018
CC(C)C[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[nH]c(=S)n1C(C)C,C67073089_decoy,ADA,Decoy,0,-8.43132,-5.43,-0.82,-5.807364563911699
CCOc1ccc(OCC)c(NC(=S)NNC(=O)[C@@H]2C[C@@H]2c2ccccc2)c1,C67193788_decoy,ADA,Decoy,0,-9.52519,-6.13,-0.64,-6.722582079748364
Cc1cc([C@@H](C)C(=O)NNC(=S)NCCCN(C)c2ccccc2)c(C)o1,C67195394_decoy,ADA,Decoy,0,-9.5748,-8.58,-0.71,-9.666857294012225
COc1cccc(/C=C/C(=O)NNC(=S)NCCCN(C)c2ccccc2)c1,C67195432_decoy,ADA,Decoy,0,-9.51473,-8.85,-1.96,-14.401611071956408
COc1cccc(CC(=O)NNC(=S)NCCCN(C)c2ccccc2)c1,C67195456_decoy,ADA,Decoy,0,-9.17818,-8.59,-0.86,-15.126473501368526
CCCCCC[C@](C)(NC(=O)C1CCC2(CC1)NC(=O)NC2=O)C(=O)OCC,C67305342_decoy,ADA,Decoy,0,-8.79937,-6.02,-1.29,-5.857615923325248
COc1ccccc1C(=O)N[C@@H](C(=O)NCCNC(=O)OC(C)(C)C)C(C)C,C67340656_decoy,ADA,Decoy,0,-7.81556,-7.45,-5.13,-8.13938254464928
CCOc1cc(/C=N/NC(N)=O)ccc1OCCOc1ccccc1OC,C04196627_decoy,ADA,Decoy,0,-7.73766,-6.66,-1.0,-6.427995066600755
COCCCNC(=S)NNC(=O)c1cccc(OC(F)(F)C(F)F)c1,C02794195_decoy,ADA,Decoy,0,-7.63939,-7.24,-1.44,-10.787355402838914
CCOC(=O)c1ccc(OCC(=O)NNC(=S)Nc2ccccc2)cc1,C14027261_decoy,ADA,Decoy,0,-8.20612,-7.38,-0.4,-7.57616383652092
COCCOc1ccccc1C(=O)NC(=S)Nc1ccccc1C(=O)NC(C)(C)C,C14660179_decoy,ADA,Decoy,0,-8.51295,-6.88,-2.59,-8.258147823247214
CCOCCC(=O)NNC(=S)NC(=O)C(c1ccccc1)c1ccccc1,C14663498_decoy,ADA,Decoy,0,-8.13566,-8.33,-0.74,-9.076645030898808
CCCNC(=S)NNC(=O)/C=C/c1ccc(OCC(C)C)c(OC)c1,C15559420_decoy,ADA,Decoy,0,-8.19257,-7.5,-2.28,-10.247909504815144
COCCCNC(=S)NNC(=O)Cc1coc2cc(C)c(C(C)C)cc12,C26849739_decoy,ADA,Decoy,0,-8.82086,-7.27,-2.0,-10.849206539871204
O=C(NCCCOC1CCCCC1)NCCNc1ccccc1[N+](=O)[O-],C36740974_decoy,ADA,Decoy,0,-7.81818,-8.11,-1.03,-10.40191793872259
CCOc1ccc(CC(=O)NNC(=S)NC2CCCCC2)cc1OCC,C08682457_decoy,ADA,Decoy,0,-9.7313,-7.53,-0.61,-8.237414282214873
CCCNC(=O)c1ccc(NC(=S)Nc2ccc(C(=O)OCC)cc2)cc1,C39974002_decoy,ADA,Decoy,0,-9.55746,-6.82,-1.58,-10.609190298808011
O=C(CCCNC(=O)c1ccc(Cl)cc1)NC[C@H](O)COc1ccccc1,C41336054_decoy,ADA,Decoy,0,-8.31215,-8.43,-1.47,-9.158988487412543
CC(C)CCNC(=S)NNC(=O)[C@H]1CC(=O)N(CCc2ccccc2)C1,C42104866_decoy,ADA,Decoy,0,-9.03818,-7.13,-0.58,-7.873002566659257
CCOc1cc(C(=O)NNC(=O)N[C@@H](C)CC)cc(OCC)c1OCC,C42844699_decoy,ADA,Decoy,0,-7.56871,-5.4,-0.85,-5.365808063279908
CCOCCCNC(=S)NNC(=O)[C@@H](C)Oc1ccc(Cl)cc1C,C46585317_decoy,ADA,Decoy,0,-9.12304,-5.77,-1.56,-6.343437064077633
CCOCCCNC(=S)NNC(=O)c1ccc(Oc2ccccc2)cc1,C46585551_decoy,ADA,Decoy,0,-8.5786,-6.56,-0.77,-6.268769435070343
CCOCCCNC(=S)NNC(=O)/C=C/c1ccccc1OC(F)(F)F,C46587119_decoy,ADA,Decoy,0,-8.12621,-8.03,-1.97,-8.302524578439508
CC(C)[C@@H](NC(=O)c1cccs1)C(=O)NCCCNc1ccc(C(F)(F)F)cn1,C46815506_decoy,ADA,Decoy,0,-7.82769,-7.59,-2.18,-7.065723230608444
CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccccc1COc1ccccc1,C52732089_decoy,ADA,Decoy,0,-8.12381,-8.25,-2.14,-8.598007340057888
CCOC(=O)Nc1cccc(OC(=O)/C=C/c2ccc(OCC(N)=O)cc2)c1,C52737114_decoy,ADA,Decoy,0,-8.97283,-6.72,-0.33,-8.074077259213704
CCOCCCNC(=O)[C@@H](C)Nc1ccc(NS(=O)(=O)CC)c(C)c1,C56204803_decoy,ADA,Decoy,0,-8.32488,-6.96,-0.68,-7.453637985440335
COCCOc1ccc(NC(=O)/C=C/c2ccc(OCC(N)=O)cc2)cc1F,C56337671_decoy,ADA,Decoy,0,-8.63732,-8.13,-0.65,-6.737594424917222
CC[NH+](c1ccc(NC(=O)COC(=O)/C(=C\c2ccccc2)NC(C)=O)cc1)C(C)C,C57322601_decoy,ADA,Decoy,0,-8.52126,-8.14,-4.08,-8.130036354877369
COc1ccc(CCNC(=S)NNC(=O)CCC(=O)c2cccs2)cc1OC,C08410686_decoy,ADA,Decoy,0,-9.82085,-7.72,-2.44,-8.391997945622084
CCOc1ccc(C(=O)CCC(=O)NNC(=O)CNc2ccc(C)cc2C)cc1,C06251639_decoy,ADA,Decoy,0,-8.51918,-8.81,-0.55,-10.625182533699755
CCC(CC)[C@@H](CNC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(C)=O)N1CCOCC1,C58618803_decoy,ADA,Decoy,0,-8.87939,-7.14,-0.99,-6.9334450658891145
C=CCSc1ccccc1NC(=O)CSc1n[nH]c(N/N=C/c2cccs2)n1,C59016485_decoy,ADA,Decoy,0,-11.5193,-8.45,-1.48,-13.189114798265472
CC(C)CCN(CCC(C)C)S(=O)(=O)NCc1ccc(S(N)(=O)=O)cc1,C59932350_decoy,ADA,Decoy,0,-10.2342,-7.59,-1.25,-9.678840632234218
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NCCNC(=O)OC(C)(C)C,C60159056_decoy,ADA,Decoy,0,-8.54908,-5.79,-1.72,-5.996089122709448
CCCc1c(C(=O)NNC(=O)CCOc2ccccc2)[nH]c(C)c1C(=O)OC,C61475293_decoy,ADA,Decoy,0,-7.83436,-7.68,-1.58,-11.506046762114616
O=C(NCCCOCC1CC1)NC[C@@H](O)c1ccc(OC(F)(F)F)cc1,C61855450_decoy,ADA,Decoy,0,-8.21456,-7.65,-2.71,-7.509487580838567
COCCCNC(=S)NCCNc1nc2c(C)c(C)ccc2cc1C#N,C13658141_decoy,ADA,Decoy,0,-10.9255,-7.1,-0.81,-9.333111196391814
C[C@H](COCC(F)(F)F)NC(=O)NCCNc1ccc([N+](=O)[O-])cc1,C62660306_decoy,ADA,Decoy,0,-5.8132,-6.83,-0.36,-8.241550453747113
Cc1cccc(C)c1OC[C@H](O)CNC(=O)CCNC(=O)OC(C)(C)C,C63106301_decoy,ADA,Decoy,0,-7.50964,-7.51,-1.06,-8.136520070345453
CCOCCCNC(=S)NNC(=O)c1cnc(-c2ccccc2F)s1,C63123384_decoy,ADA,Decoy,0,-8.71268,-6.31,-1.35,-6.812200725995842
COc1cc(C)ccc1OCCC(=O)NNC(=S)NCCc1cccs1,C63838248_decoy,ADA,Decoy,0,-8.87457,-7.05,-1.52,-7.798354623601494
C/C=C/c1ccc(OCC(=O)NNC(=S)NCC(F)(F)F)c(OC)c1,C64080641_decoy,ADA,Decoy,0,-7.58898,-6.58,-1.99,-6.707712776917271
C=C(C)COc1ccccc1NCC(=O)Nc1cccc(C(=O)NCCOC)c1,C66062901_decoy,ADA,Decoy,0,-8.51617,-6.97,-1.43,-7.73820354182417
CCNC(=O)c1cccc(NC(=O)CNc2ccccc2OCCOCC)c1,C66065544_decoy,ADA,Decoy,0,-8.26759,-7.88,-1.8,-10.866840096504369
C=CCOc1ccccc1NC(=O)CNc1ccc(C(=O)NCCC)cc1,C66090364_decoy,ADA,Decoy,0,-8.30987,-7.77,-0.72,-8.316598440875742
CCOC(=O)N[C@@H](CNC(=O)[C@@H](C)NC(=O)C1CCOCC1)CC(C)C,C66823062_decoy,ADA,Decoy,0,-7.74317,-7.67,-1.14,-13.381465726223114
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[nH]c(=S)n1CC,C67075706_decoy,ADA,Decoy,0,-8.43227,-7.19,-0.73,-13.140664196378076
CCC[C@@H](NC(=O)OC(C)(C)C)C(=O)NCCc1n[nH]c(=S)n1C1CC1,C67079395_decoy,ADA,Decoy,0,-8.04764,-6.16,-1.41,-7.688419848481127
CC(C)CCC(=O)NCC(=O)N[C@H](C)c1ccc(OCC(=O)NC2CC2)cc1,C67154842_decoy,ADA,Decoy,0,-7.46729,-8.71,-2.1,-7.399080876360322
O=C(CCc1ccc(OC(F)(F)F)cc1)NNC(=S)NC[C@@H]1CCCO1,C67193098_decoy,ADA,Decoy,0,-7.27402,-8.08,-2.2,-10.834637005799626
CCOCCCNC(=S)NNC(=O)c1cnc(-c2cccs2)s1,C67193512_decoy,ADA,Decoy,0,-9.52531,-5.46,-0.67,-6.056527143686676
CN(CCCNC(=S)NNC(=O)Cc1ccc(C#N)cc1)c1ccccc1,C67195385_decoy,ADA,Decoy,0,-9.37824,-8.54,-0.83,-9.166723703369104
COc1ccccc1C(=O)NNC(=S)NCCCN(C)c1ccccc1,C67195476_decoy,ADA,Decoy,0,-8.53222,-7.27,-0.81,-8.426715273164085
CC(C)(C)OC(=O)NCCCCCCC(=O)N(CC(N)=O)C1CCCC1,C67202371_decoy,ADA,Decoy,0,-8.58364,-7.47,-0.96,-14.208475606484376
CCOCCCNC(=O)NNC(=O)/C=C/c1ccccc1OC(F)(F)F,C67311049_decoy,ADA,Decoy,0,-7.7972,-8.72,-0.84,-8.589650018689689
CC[C@H](NC(=O)NCCNC(=O)OC(C)(C)C)c1ccccc1OC(F)F,C67531545_decoy,ADA,Decoy,0,-6.64674,-5.6,-0.63,-5.635191448000686
CCOC(=O)c1c(C)[nH]c(C(=O)O[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)c1C,C04549796_decoy,ADA,Decoy,0,-8.85874,-8.58,-1.08,-8.613306424194684
COc1cc(Cl)c(C)cc1NC(=O)COC(=O)[C@H](CC(C)C)NC(N)=O,C03402307_decoy,ADA,Decoy,0,-8.94491,-7.35,-1.35,-8.71202211507223
CCOC(=O)c1ccc(NC(=S)NCCc2ccc(S(N)(=O)=O)cc2)cc1,C02278572_decoy,ADA,Decoy,0,-10.0279,-8.46,-1.9,-9.270811716438503
CCNC(=S)/N=C(\NCCSCc1nc[nH]c1C)Nc1nc(C)cc(C)n1,C14159252_decoy,ADA,Decoy,0,-9.58791,-7.58,-0.6,-8.447190662468538
O=C(CCCNC(=O)NC1CCCCC1)NCCNc1ccccc1[N+](=O)[O-],C14848724_decoy,ADA,Decoy,0,-6.67246,-8.44,-0.97,-7.343289097115471
COCCOC(=O)c1c(NC(=O)CNc2ccc(C)cc2Cl)sc(C(N)=O)c1C,C15087192_decoy,ADA,Decoy,0,-10.4237,-7.8,-1.6,-10.20156310371867
Cc1cc(NC(=O)[C@@H](C)SCC(=O)NNC(=S)NCCC(C)C)no1,C08420282_decoy,ADA,Decoy,0,-8.40294,-7.14,-0.64,-7.675151187812016
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)NNC(=S)NC2CC2)cc1,C15909493_decoy,ADA,Decoy,0,-8.65281,-7.51,-4.47,-10.072411137378827
Cc1ccc(O)c(NS(=O)(=O)CCCCS(=O)(=O)Nc2cc(C)ccc2O)c1,C16291035_decoy,ADA,Decoy,0,-9.55174,-9.11,-1.59,-12.510772515335564
COC[C@@H](C)NC(=S)NNC(=S)NCCc1ccc(OC)c(OC)c1,C16318673_decoy,ADA,Decoy,0,-9.86195,-6.68,-1.16,-11.0463561829598
CC(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(NC(N)=O)cc2)s1,C16809765_decoy,ADA,Decoy,0,-9.76026,-8.34,-1.29,-8.538486651177168
CCc1[nH]c(C(=O)O[C@H](C)C(=O)Nc2sccc2C(N)=O)c(C)c1C(=O)OC,C17039598_decoy,ADA,Decoy,0,-9.31903,-6.68,-1.58,-6.260883953476574
Cc1cccc(C(=O)N[C@H](C(=O)OCC(=O)Nc2sccc2C(N)=O)C(C)C)c1,C18252443_decoy,ADA,Decoy,0,-8.45162,-8.68,-1.39,-8.727270213973165
NC(=O)N[C@@H](CC(=O)OCC(=O)NCC1CCCCC1)c1ccccc1Cl,C23482906_decoy,ADA,Decoy,0,-9.22589,-9.33,-3.04,-10.049575053813625
CC[C@@H](C)[C@H](NC(=O)c1ccccc1)C(=O)NNC(=S)NCCCOC,C26848026_decoy,ADA,Decoy,0,-8.68236,-7.09,-1.54,-8.289583639810843
COc1ccc(C(=O)N[C@@H](C(=O)NNC(=S)NC2CCCC2)C(C)C)cc1,C27249526_decoy,ADA,Decoy,0,-8.07882,-8.58,-1.85,-8.359704141306503
CC(C)Oc1ccc(C(=O)NCC(=O)NNC(=S)NC2CCCC2)cc1,C27249540_decoy,ADA,Decoy,0,-8.69437,-7.95,-0.64,-7.964499022484372
COc1ccc(/C=C/C(=O)N[C@@H](C)C(=O)NNC(=S)NC2CCCC2)cc1,C27252021_decoy,ADA,Decoy,0,-9.02037,-8.88,-0.55,-8.219763888046296
COc1ccccc1NCC(=O)NNC(=O)c1[nH]c(C)c(C(=O)OC(C)C)c1C,C32883651_decoy,ADA,Decoy,0,-8.23022,-7.03,-1.44,-7.927875250864264
CCOC(=O)/C(=C/NC(=S)Nc1ccc(Cl)cc1)C(=O)NNc1ccccc1,C05324640_decoy,ADA,Decoy,0,-8.69255,-9.03,-0.77,-9.290732210666944
CC[C@H](C)[C@@H](CO)NC(=O)[C@H](NC(=O)Cc1n[nH]c(=O)c2ccccc12)C(C)C,C37262671_decoy,ADA,Decoy,0,-7.94917,-7.57,-1.58,-6.686182952942623
Cc1cc(NC(=O)CSCC(=O)NNC(=S)N[C@H]2CCCC[C@H]2C)no1,C42085076_decoy,ADA,Decoy,0,-9.82474,-7.06,-0.75,-8.430508366517714
NC(=O)CCCNC(=O)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1,C43110537_decoy,ADA,Decoy,0,-7.77325,-7.5,-2.26,-7.395177784820318
CC(C)NS(=O)(=O)c1ccc(NNC(=O)N[C@H](C)CCc2ccco2)nc1,C43725207_decoy,ADA,Decoy,0,-8.7723,-8.76,-1.32,-8.851769383502827
O=C(NCc1cccnc1OCC(F)(F)F)NNC(=S)NC1CCCC1,C45942685_decoy,ADA,Decoy,0,-8.41272,-8.48,-0.09,-8.701292272916074
CC(C)CN(CC(=O)N[C@H](C)C1CC1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C46504196_decoy,ADA,Decoy,0,-7.70751,-5.9,-1.23,-5.080607911465108
CCCNC(=S)NNC(=O)/C=C/c1ccc(S(=O)(=O)NC(C)C)cc1,C46565580_decoy,ADA,Decoy,0,-8.38556,-7.15,-1.26,-7.115729925534495
CCOCCCNC(=S)NNC(=O)[C@H](NC(=O)c1cccc(C)c1)C(C)C,C46585582_decoy,ADA,Decoy,0,-9.16019,-7.12,-0.8,-8.91708526044358
CCOCCCNC(=S)NNC(=O)c1ccc(NC(=O)c2ccco2)cc1,C46586429_decoy,ADA,Decoy,0,-7.64998,-6.86,-2.86,-6.815183521623276
CCCNC(=S)NNC(=O)c1ccc(F)c(S(=O)(=O)NC(C)(C)C)c1,C47682374_decoy,ADA,Decoy,0,-8.67603,-7.42,-1.15,-7.586461849807347
Cc1ccc(C)c(NC(=S)NNC(=O)CCNC(=O)/C=C/c2ccco2)c1,C47683408_decoy,ADA,Decoy,0,-7.81377,-7.41,-0.83,-6.963044116736776
COCCNC(=O)CCNC(=O)Nc1ccc(C(=O)NC2CCCCC2)cc1,C56740675_decoy,ADA,Decoy,0,-8.66059,-8.42,-1.18,-7.772164602675088
CC(C)CCNC(=S)NNC(=O)CNC(=O)c1ccccc1OC(F)F,C08420191_decoy,ADA,Decoy,0,-9.2361,-8.02,-1.92,-9.35329065549185
CNC(=S)NNC(=O)CCNS(=O)(=O)c1ccc(C2CCCCC2)cc1,C58089907_decoy,ADA,Decoy,0,-10.6986,-8.14,-0.69,-10.016465825676336
CC(C)(C)c1ccc(C(=O)NCCC(=O)NCCNC(=O)c2ccc(O)cc2)cc1,C47545481_decoy,ADA,Decoy,0,-8.03907,-8.68,-0.41,-8.027069127359583
CCOCCCNC(=S)NNC(=O)CCc1c(C)nc(SC)[nH]c1=O,C60400441_decoy,ADA,Decoy,0,-9.64032,-5.94,-1.93,-7.374051258079699
CCOCCOc1c(Cl)cccc1NC(=O)c1ccc(CNC(N)=O)cc1,C63264568_decoy,ADA,Decoy,0,-8.85013,-8.27,-2.01,-9.204687703438369
O=C(NNC(=S)NCC(F)(F)F)c1ccc(S(=O)(=O)NC2CC2)cc1,C64081789_decoy,ADA,Decoy,0,-8.58889,-6.44,-0.61,-9.194697569349202
CCC[C@@H](NC(N)=O)C(=O)N[C@H](C)c1ccc(S(=O)(=O)N(CC)CC)cc1,C64117058_decoy,ADA,Decoy,0,-9.12877,-7.92,-1.72,-9.824235228198882
CCC[C@@H](NC(N)=O)C(=O)Nc1nc(-c2ccccc2)c(CC(=O)OC)s1,C64311817_decoy,ADA,Decoy,0,-10.2907,-7.59,-1.84,-10.02223819032089
NC(=O)COc1ccc(/C=C/C(=O)NCCCNC(=O)c2ccccc2F)cc1,C64321189_decoy,ADA,Decoy,0,-8.79349,-9.5,-2.1,-7.409217361641692
COCCNC(=O)NNC(=O)[C@H](NC(=O)c1ccc(C(C)(C)C)cc1)C(C)C,C64886982_decoy,ADA,Decoy,0,-8.37466,-7.37,-1.51,-10.29154725326662
COCCCNC(=O)NNC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1,C65206589_decoy,ADA,Decoy,0,-7.72925,-8.25,-3.77,-8.408925180390867
CCC(=O)Nc1cccc(NCC(=O)Nc2ccc(C(=O)NC[C@@H]3CCCO3)cc2)c1C,C66110688_decoy,ADA,Decoy,0,-8.86285,-9.49,-0.98,-9.503639339527098
CC(C)Oc1ccc(NC(=S)NNC(=O)CNC(=O)c2ccsc2)cc1,C67193915_decoy,ADA,Decoy,0,-10.5383,-6.83,-0.49,-8.619612898855378
C[C@@H]1C[C@@H]1C(=O)NCCC(=O)NNC(=S)NCCCN(C)c1ccccc1,C67195416_decoy,ADA,Decoy,0,-9.21941,-7.59,-0.28,-9.067498658871669
C[C@H]1C[C@H]1C(=O)NCCC(=O)NNC(=S)NCCCN(C)c1ccccc1,C67195419_decoy,ADA,Decoy,0,-8.74481,-7.58,-0.45,-8.637556727373488
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@@H]12)NCCC(=O)NC1CCCCC1,C67211433_decoy,ADA,Decoy,0,-8.86276,-6.98,-1.12,-7.016545715011376
CCOCCCNC(=O)NNC(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2,C67314563_decoy,ADA,Decoy,0,-8.82761,-7.98,-2.09,-7.787966963748287
CCOCCCNC(=O)NNC(=O)[C@@H](NC(=O)c1ccc(F)cc1)C(C)C,C67314755_decoy,ADA,Decoy,0,-6.82945,-8.16,-1.3,-7.581146856276059
Cc1ccccc1OCC(=O)NNC(=S)NC(=O)COc1ccccc1,C06504790_decoy,ADA,Decoy,0,-8.12341,-8.81,-1.48,-8.355497941027204
CCOc1ccccc1NC(=O)/C=C/c1ccc(OCC(N)=O)c(OC)c1,C12775771_decoy,ADA,Decoy,0,-9.05763,-7.35,-1.55,-7.495546213256188
CCOC(=O)/C=C/C(=O)NC(=S)Nc1cccc(C(=O)N[C@@H](C)CC)c1,C14836392_decoy,ADA,Decoy,0,-9.35953,-7.01,-1.52,-7.699107286246227
COc1ccc(/C=C/C(=O)NNC(=S)NC[C@H]2CCCO2)cc1OC,C15899770_decoy,ADA,Decoy,0,-9.65109,-7.85,-0.45,-14.274832043322174
COCCCNC(=S)NNC(=O)Cc1cc(Cl)c2c(c1)OCCO2,C26851030_decoy,ADA,Decoy,0,-8.43691,-7.65,-0.68,-7.841782111698382
COCCCNC(=S)NNC(=O)Cc1nc(-c2cccs2)oc1C,C29351201_decoy,ADA,Decoy,0,-8.71782,-6.27,-2.35,-7.740439081440846
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@@H](C)CCC(C)C)cc1,C03429672_decoy,ADA,Decoy,0,-9.04974,-6.6,-0.81,-6.571804215993142
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)CCC(C)C)cc1,C03429669_decoy,ADA,Decoy,0,-8.97164,-7.85,-2.3,-8.222132861115178
COCCN(CCOC)c1ncnc(Nc2ccc(F)c(F)c2)c1N,C40752056_decoy,ADA,Decoy,0,-6.74099,-7.16,-0.71,-6.972240389178569
C=CCNC(=S)NNC(=O)CSc1nnc(-c2ccc(F)cc2)o1,C41960865_decoy,ADA,Decoy,0,-8.11568,-6.53,-0.89,-6.6482315805670815
C=CCNC(=S)NNC(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C,C41961303_decoy,ADA,Decoy,0,-8.43652,-6.26,-1.08,-6.7946915979527365
CCOc1ccccc1OCC(=O)NNC(=O)NCCc1ccccc1F,C43480785_decoy,ADA,Decoy,0,-7.1364,-8.44,-0.95,-11.599449359636871
C=CCNC(=S)NNC(=O)CCCc1nc(-c2cccs2)no1,C46572693_decoy,ADA,Decoy,0,-9.31903,-6.3,-0.61,-7.347762879024873
CCOCCCNC(=S)NNC(=O)/C=C/c1ccc2c(c1)OCCO2,C46586299_decoy,ADA,Decoy,0,-9.49187,-7.79,-0.35,-8.404010380086104
CCCN(CCC)C(=O)c1ccc(NC(=O)NCCNC(=O)C2CC2)cc1,C47599153_decoy,ADA,Decoy,0,-8.38641,-7.59,-2.53,-7.853486757225936
CCNC(=O)COc1ccc(NC(=O)C(=O)NCCC2=CCCCC2)cc1,C48661146_decoy,ADA,Decoy,0,-8.20264,-8.36,-1.22,-7.681721575062053
CCOCCCNC(=O)C(=O)Nc1cccc(NC(=O)c2ccccc2)c1,C48669591_decoy,ADA,Decoy,0,-7.71302,-7.77,-1.7,-7.120179225290509
CCCCN(CC(N)=O)C(=O)/C=C/c1ccc(S(=O)(=O)NCCC)cc1,C49743750_decoy,ADA,Decoy,0,-9.01068,-7.29,-1.1,-11.070088296317016
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)COc2ccc(CC(N)=O)cc2)C1,C50730064_decoy,ADA,Decoy,0,-8.87276,-8.0,-1.39,-8.709748472285266
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)C(=O)NCCCOCC1CC1,C51780064_decoy,ADA,Decoy,0,-8.37602,-6.68,-1.25,-6.643669261850524
CC[C@@H](C)NC(=O)CCNC(=O)C(=O)Nc1ccccc1OCC(C)C,C52731956_decoy,ADA,Decoy,0,-7.58743,-5.48,-1.4,-4.940270308328396
CCOc1ccc(CCNC(=O)C(C)(C)NC(=O)NC)cc1OCC,C53088203_decoy,ADA,Decoy,0,-7.27105,-6.87,-0.9,-7.276432304032547
CCCn1c(=O)n(CCC(=O)NNC(=S)NC2CC2)c2ccccc21,C16228803_decoy,ADA,Decoy,0,-7.75252,-6.76,-1.21,-6.943581999371276
Cc1cccc(C(=O)NCCNC(=O)CCCNC(=O)OC(C)(C)C)c1,C56032118_decoy,ADA,Decoy,0,-7.15938,-8.11,-2.13,-8.621452315785186
CC(C)COC[C@@H](O)CNC(=O)N[C@@H](c1ccc2c(c1)OCCO2)C1CC1,C57391726_decoy,ADA,Decoy,0,-8.85447,-7.69,-1.93,-8.836070162532737
CCCNC(=O)[C@H](C)NC(=O)NC[C@H](C(CC)CC)N1CCOCC1,C58440494_decoy,ADA,Decoy,0,-8.07653,-7.47,-1.38,-9.416391064011684
CCCOCc1ccccc1CNC(=O)CNC(=O)NCc1ccco1,C58456026_decoy,ADA,Decoy,0,-5.99758,-7.61,-1.11,-7.171442942890189
COc1cc(C(=O)NC(C)(C)CC(C)(C)C)cc(OC)c1OCC(N)=O,C42705459_decoy,ADA,Decoy,0,-8.68741,-5.72,-1.63,-6.388896120574347
CC(C)CNC(=O)COC(=O)[C@@H](NC(=O)c1cc(Cl)ccc1F)[C@H](C)O,C49998581_decoy,ADA,Decoy,0,-8.1628,-8.22,-0.04,-8.359944522817713
CCOCCCNC(=S)NNC(=O)c1cc(Cl)c2c(c1)OCCO2,C46585652_decoy,ADA,Decoy,0,-8.68549,-6.63,-0.43,-7.604374335982048
CCOCCCNC(=S)NNC(=O)Cc1csc(-c2cccnc2)n1,C60400386_decoy,ADA,Decoy,0,-9.48602,-6.5,-1.57,-7.636097679366894
CCOc1ccc(C(=O)CCC(=O)NNC(=O)NCC(F)(F)F)cc1,C60415417_decoy,ADA,Decoy,0,-5.54079,-7.66,-0.69,-6.345675924540388
N#Cc1c(CCCNC(=O)COCC2CC2)nn(-c2ccc(F)cc2)c1N,C60627065_decoy,ADA,Decoy,0,-9.23532,-7.86,-1.82,-8.384649763483115
C=CCNC(=S)NNC(=O)CN(c1cccc(Cl)c1)S(C)(=O)=O,C60880628_decoy,ADA,Decoy,0,-9.1939,-7.15,-0.36,-12.282276374601135
NC(=O)Cc1cccc(OC(=O)COc2cccc(NC(=O)C3CC3)c2)c1,C61104238_decoy,ADA,Decoy,0,-7.90523,-8.16,-0.24,-7.833372536733642
CCOc1ccccc1C(=O)NCCCC(=O)N1CCC(CC(N)=O)CC1,C49392705_decoy,ADA,Decoy,0,-7.78163,-6.1,-1.87,-5.816702622969658
O=C(CNC(=O)NCCCOC[C@@H]1CCCO1)Nc1ccc(F)cc1,C50114385_decoy,ADA,Decoy,0,-7.18677,-6.48,-0.7,-6.849492975658576
COCCNC(=O)NNC(=O)CCCOc1ccccc1Br,C64898713_decoy,ADA,Decoy,0,-7.59018,-6.49,-1.32,-6.800913379969757
CO[C@H](C)C(=O)Nc1cccc(NC(=O)N[C@H](C)COCC(F)(F)F)c1,C65419303_decoy,ADA,Decoy,0,-6.66351,-6.75,-2.22,-6.360690417368675
CCc1cccc(CC)c1NC(=O)C(=O)NCCNC(=O)OC(C)(C)C,C65629648_decoy,ADA,Decoy,0,-7.13471,-6.04,-1.43,-5.544174233283563
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)NC[C@@H](CC(C)C)N1CCOCC1,C65988585_decoy,ADA,Decoy,0,-8.39285,-7.05,0.01,-8.544230429519642
C[C@H](CC(=O)NCCC(=O)NCc1ccncc1)NC(=O)C1CCCCC1,C66362171_decoy,ADA,Decoy,0,-7.96009,-8.72,-1.21,-8.16137685101825
CCNC(=O)NC1CCC(OC(=O)CCCNC(=O)C(C)(C)C)CC1,C66538179_decoy,ADA,Decoy,0,-7.78563,-7.16,-1.65,-7.244465105320275
CSCC[C@H](NC(=O)c1ccco1)C(=O)NNC(=O)CC1CCCCC1,C66791414_decoy,ADA,Decoy,0,-9.19641,-7.98,-2.33,-8.821694615565157
CCOc1ccc(NC(=S)NNC(=O)[C@H](C)OC[C@H]2CCCCO2)cc1,C66899540_decoy,ADA,Decoy,0,-9.11022,-7.82,-0.65,-8.635471609002026
CC(C)(C)OC(=O)NCCCCCCC(=O)N[C@@H]1CCCCNC1=O,C67162582_decoy,ADA,Decoy,0,-7.54442,-6.38,-0.75,-6.611414297000246
C=CCOc1cccc(NC(=O)C(=O)NCCC(=O)NC2CCCC2)c1,C67378089_decoy,ADA,Decoy,0,-7.95873,-8.3,-1.59,-7.906184998161345
CCCOc1ccccc1NC(=O)C(=O)NCCNC(=O)c1ccc(F)cc1,C67421074_decoy,ADA,Decoy,0,-7.13708,-9.12,-3.78,-7.772696474252422
C#CCNC(=O)CNC(=O)C(=O)Nc1ccc(O[C@H](C)CC(C)C)c(C)c1,C67561911_decoy,ADA,Decoy,0,-8.39138,-7.68,-1.54,-12.202303831548257
Cc1cccc(C)c1OC[C@H](O)CNC(=O)NCCCOC[C@@H]1CCCO1,C67590687_decoy,ADA,Decoy,0,-8.35353,-7.85,-0.92,-8.010434190829978
NC(=O)CNc1ccc(C(F)(F)F)cc1[N+](=O)[O-],C07365693_decoy,ADA,Decoy,0,-4.39937,-7.17,-0.63,-5.585186786044697
CC(C)(C)C(=O)NNC(=O)CNC(=O)C1CCCCC1,C08556066_decoy,ADA,Decoy,0,-6.7889,-7.77,-0.54,-7.082998397514322
CC(C)CNC(=O)CN1C[C@@H](C(N)=O)Oc2ccccc21,C09339348_decoy,ADA,Decoy,0,-7.87986,-7.89,-0.86,-9.834450296644484
CCC(=O)NNC(=O)CNC(=O)C1CCCCC1,C13985143_decoy,ADA,Decoy,0,-6.07895,-5.39,-0.32,-4.456048597084005
COc1ccc(S(=O)(=O)NCc2ccco2)cc1N,C20548448_decoy,ADA,Decoy,0,-6.85387,-5.59,-0.71,-5.206809291539823
COc1ccc(N)cc1S(=O)(=O)NCc1ccco1,C21013062_decoy,ADA,Decoy,0,-7.01814,-5.93,-1.97,-5.028515731126597
CC(C)(C)OC(=O)N[C@H](C(=O)[O-])C1CC[NH2+]CC1,C22013948_decoy,ADA,Decoy,0,-7.23779,-5.62,-0.18,-5.517857359205099
N#Cc1ccc(NCCNC(=O)NC2CCCC2)nc1,C31050873_decoy,ADA,Decoy,0,-6.98583,-7.86,-0.34,-7.952825383935459
CCCNC(=O)CNC(=O)[C@@H]1CNc2ccccc2O1,C35121815_decoy,ADA,Decoy,0,-6.47075,-7.86,-0.9,-7.297855927087961
CNS(=O)(=O)c1ccc(OC[C@@H]2CCCO2)c(N)c1,C35340249_decoy,ADA,Decoy,0,-7.47684,-7.29,-0.75,-8.378210012979828
CN(C(=O)CO)[C@@H](C(=O)NC(C)(C)C)c1ccccc1O,C36536358_decoy,ADA,Decoy,0,-8.25928,-7.21,-1.86,-8.924477400192666
CCN(CC)S(=O)(=O)Nc1ccc(N)cc1C#N,C36743308_decoy,ADA,Decoy,0,-8.1361,-6.51,-1.43,-7.419574746873719
CS(=O)(=O)Nc1ccc(NCc2cc[nH]n2)cc1,C37077098_decoy,ADA,Decoy,0,-5.82713,-6.42,-0.62,-5.884130064462058
CN(C)S(=O)(=O)c1ccc(NC[C@H]2CCCO2)c(N)c1,C37365657_decoy,ADA,Decoy,0,-7.07348,-7.1,-0.12,-6.697370519979373
Nc1c[nH]c(C(=O)N(C[C@@H]2CCCO2)C[C@@H]2CCCO2)c1,C40329844_decoy,ADA,Decoy,0,-6.98627,-7.29,-2.26,-7.966458791287333
CN(CC(=O)NC(C)(C)C)C(=O)c1cc(N)cn1C1CC1,C40334710_decoy,ADA,Decoy,0,-6.4866,-6.93,-1.85,-7.891671059952292
COCCNc1ncnc(N2CCC[C@H](C)C2)c1N,C40731166_decoy,ADA,Decoy,0,-6.36616,-6.94,-1.03,-6.225100991446969
CC(C)CCNS(=O)(=O)c1nnc(N)s1,C41306725_decoy,ADA,Decoy,0,-9.70041,-6.27,0.09,-10.623091902126257
C[C@H](CO)[NH2+][C@@](C)(C(=O)[O-])c1ccc2c(c1)OCO2,C41802040_decoy,ADA,Decoy,0,-6.41237,-5.82,-0.21,-4.699476654377438
CCCO[C@@H]1CCCN(c2nc(C)ccc2/C(N)=N/O)C1,C43400011_decoy,ADA,Decoy,0,-8.16559,-7.93,-0.29,-9.361778485308896
N#Cc1ccc(NC(=O)NCCNC(=O)C2CC2)cc1,C45027189_decoy,ADA,Decoy,0,-7.27144,-7.54,-0.49,-6.655083688413816
C[C@H]1CCCC[C@H]1NC(=O)NCCNS(C)(=O)=O,C47679132_decoy,ADA,Decoy,0,-7.58991,-7.1,-0.67,-7.258434048571322
O=C(CCNc1cn[nH]c(=O)c1Cl)NC1CCCCC1,C48608478_decoy,ADA,Decoy,0,-7.2066,-6.87,-1.41,-6.988542656749393
CC(C)(C)CC(=O)NCC(=O)N[C@@H]1CCCCNC1=O,C48913938_decoy,ADA,Decoy,0,-7.12036,-7.47,-0.69,-8.758687074127279
C[C@@H](NC(N)=O)C(=O)N(C)Cc1ccc([C@H]2C[C@@H]2C)o1,C48927993_decoy,ADA,Decoy,0,-8.01953,-7.33,-0.35,-8.099959026314938
N#CCSc1ccccc1C(=O)NNC(=O)NC1CC1,C49150918_decoy,ADA,Decoy,0,-9.99989,-7.62,-1.71,-9.207334923209483
C[C@@H](CN1CCCC1=O)NC(=O)NNC(C)(C)C,C49153637_decoy,ADA,Decoy,0,-6.10681,-6.01,-2.58,-4.935687082780856
O=C(Cc1cccs1)NNC(=O)NC[C@@H]1CCCO1,C49182714_decoy,ADA,Decoy,0,-7.66777,-7.34,-0.91,-7.432936718010874
CCCNC(=O)NNC(=O)Cc1ccc2c(c1)CCO2,C49279417_decoy,ADA,Decoy,0,-6.80719,-7.93,0.01,-7.820687183764593
CCCNC(=O)NNC(=O)/C=C/c1csc(C)n1,C49298564_decoy,ADA,Decoy,0,-7.40992,-7.12,-0.18,-7.559564503999684
CCCNC(=O)NNC(=O)[C@H]1C[C@@H]1c1ccco1,C49412776_decoy,ADA,Decoy,0,-5.94505,-6.82,-0.1,-6.913193463167136
O=C(CCc1ccco1)NNC(=O)NC1CCCC1,C49458518_decoy,ADA,Decoy,0,-6.27385,-6.15,-1.11,-5.5938682947204645
CCN(C[C@H]1CCOC1)C(=O)c1[nH]nc(C2CC2)c1N,C50324281_decoy,ADA,Decoy,0,-6.58397,-5.57,-1.22,-4.978641265418948
COc1ccc([C@](C)([NH2+][C@H]2CCCNC2=O)C(=O)[O-])cc1,C50393166_decoy,ADA,Decoy,0,-6.92782,-7.9,-0.2,-6.893314256009409
Cc1nn(C)c(NN)c1COC[C@@H]1CCCCO1,C51148929_decoy,ADA,Decoy,0,-7.83759,-6.89,-0.7,-7.110979350778632
COc1ccc(OCc2nnsc2NN)cc1,C51149817_decoy,ADA,Decoy,0,-7.72772,-6.77,-0.49,-7.977874877850464
COC(=O)[C@@H](C)N[C@@H](C)c1ccc2[nH]c(=O)[nH]c2c1,C48142233_decoy,ADA,Decoy,0,-6.35127,-6.53,-1.69,-5.302854991189644
CNC(=O)NNC(=O)CCC(=O)c1ccc(F)cc1,C56370466_decoy,ADA,Decoy,0,-5.69798,-5.98,-0.17,-6.741216835422399
CNC(=O)NNC(=O)CSc1ccc(C(C)=O)cc1F,C56376054_decoy,ADA,Decoy,0,-7.17186,-7.0,-0.7,-9.986389111058749
COc1ccc(CNc2nccnc2C(N)=S)cn1,C62057191_decoy,ADA,Decoy,0,-7.33583,-6.51,-0.17,-6.93571851075207
CC(C)n1c(N)nnc1S[C@@H](C)C(=O)NC1CC1,C62801190_decoy,ADA,Decoy,0,-8.99616,-6.79,-0.38,-8.0416579041803
CC[NH+]1CCC[C@@H]1CNC(=O)Nc1sccc1C(=O)[O-],C62827634_decoy,ADA,Decoy,0,-6.65854,-6.73,-0.34,-6.312227686304774
C[NH2+]CCCNC(=O)N1CCC[C@@](C)(C(=O)[O-])C1,C62874509_decoy,ADA,Decoy,0,-6.649,-6.05,-0.79,-8.508039941002872
CCC[C@@]1(C(=O)[O-])CCCN(c2cc[nH+]c(C(N)=O)c2)C1,C62875341_decoy,ADA,Decoy,0,-7.74357,-6.88,-0.68,-5.944359732874777
C=CCc1cc(/C=C2\NC(=O)NC2=O)cc(OCC)c1O,C14011364_decoy,ADA,Decoy,0,-7.38331,-7.75,-0.47,-6.987991184205034
C[C@H](C/C(N)=N/O)N(C)S(=O)(=O)C1CCCCC1,C63091852_decoy,ADA,Decoy,0,-8.7829,-7.92,-0.71,-7.782843807676133
Cc1ccc(S(=O)(=O)N(C)[C@@H](C)C/C(N)=N/O)s1,C63091964_decoy,ADA,Decoy,0,-7.18444,-6.94,-1.31,-8.472767552786252
C[C@@H](C/C(N)=N/O)N(C)S(=O)(=O)c1ccc(F)cc1,C63092109_decoy,ADA,Decoy,0,-7.75109,-7.21,-0.26,-9.252237102428712
O=C(NCCc1cccs1)NNC(=O)C1CCOCC1,C65203096_decoy,ADA,Decoy,0,-7.7876,-7.6,-0.59,-7.963065241397823
CC(C)CCC(=O)NNC(=O)N[C@H]1CCCc2occc21,C67044143_decoy,ADA,Decoy,0,-7.31675,-8.37,-0.45,-8.154593833365578
COc1ccccc1NC(=S)NNC(=O)c1ccccc1F,C04551124_decoy,ADA,Decoy,0,-7.69988,-6.89,-0.79,-5.99281848354248
CCOc1ccc([C@@H]2NC(=S)NC(C)=C2C(=O)NC2CC2)cc1,C06801783_decoy,ADA,Decoy,0,-8.74732,-8.16,-0.74,-8.492379998394695
O=C(NNC(=S)NC1CCCC1)c1ccc2ccccc2n1,C08417004_decoy,ADA,Decoy,0,-8.30559,-7.1,-0.4,-6.454991024780741
Cc1ccc(S(N)(=O)=O)cc1C(=O)NCCC1=CCCCC1,C13011874_decoy,ADA,Decoy,0,-8.71748,-6.88,-1.64,-6.39523953845322
CC(C)C(=O)NC(=S)Nc1ccc(NC(=O)C(C)C)cc1,C14257763_decoy,ADA,Decoy,0,-7.77601,-6.78,-0.7,-6.562476730212775
Cc1ccccc1CC(=O)NC(=S)NNC(=O)c1cccs1,C14563243_decoy,ADA,Decoy,0,-8.67923,-6.6,-0.29,-5.96244961536088
Nc1cc(Cl)c(NC(=O)COCc2ccco2)c(Cl)c1,C20549328_decoy,ADA,Decoy,0,-6.30417,-5.57,-1.17,-5.441837603299624
Nc1ccccc1OCCNS(=O)(=O)c1ccc(F)cc1,C32214456_decoy,ADA,Decoy,0,-7.33815,-6.35,-0.51,-5.888099662070663
COc1cc(N)ccc1S(=O)(=O)N[C@@H](C)c1cccs1,C35736612_decoy,ADA,Decoy,0,-7.83287,-6.52,-0.12,-7.8611364955351055
CCN(CC)S(=O)(=O)Nc1c(C)cc(Br)cc1N,C36743540_decoy,ADA,Decoy,0,-7.31012,-6.13,-0.48,-7.378653170056385
CCOc1ccc(N)cc1S(=O)(=O)N[C@@H]1CCC[C@@H](C)C1,C36900862_decoy,ADA,Decoy,0,-6.81282,-6.12,-0.59,-5.078548497410272
CCc1cc(S(N)(=O)=O)cc(C)c1NC(=O)CC(C)(C)C,C37010887_decoy,ADA,Decoy,0,-8.65382,-3.96,-0.93,-4.46333645885259
COc1ccc(S(N)(=O)=O)cc1NCc1ccc(F)cc1,C37134929_decoy,ADA,Decoy,0,-7.49695,-6.42,-0.64,-5.8714619371506735
Nc1cc(NS(=O)(=O)CCc2ccccn2)ccc1Cl,C37661474_decoy,ADA,Decoy,0,-7.80686,-5.94,-0.79,-5.116218648386616
COc1ccc(CNS(=O)(=O)c2ccc(Cl)s2)cc1N,C37905766_decoy,ADA,Decoy,0,-8.88043,-8.16,-0.52,-8.575211195612585
Nc1ccccc1OCCNC(=O)c1ccc(Br)o1,C38079854_decoy,ADA,Decoy,0,-6.01111,-6.22,-0.94,-4.704828218813398
C[C@H](NC(=O)CC1CCCC1)c1ccc(S(N)(=O)=O)cc1,C36719797_decoy,ADA,Decoy,0,-8.20752,-7.03,-1.22,-6.421280076258578
CC(C)CS(=O)(=O)[C@@H](C)C(=O)Nc1cc(Cl)ccc1N,C35320321_decoy,ADA,Decoy,0,-8.17783,-5.94,-2.09,-5.637264230820239
Nc1cc(C(=O)NCCCN2CCOCC2)cc(Cl)c1Cl,C40302563_decoy,ADA,Decoy,0,-8.45887,-7.7,-1.19,-7.100505912807535
CCCCNC(=O)C1CCN(C(=O)c2sccc2N)CC1,C40329485_decoy,ADA,Decoy,0,-7.99694,-7.61,-0.82,-7.417368390849454
CC(C)N(CCCO)S(=O)(=O)c1c(N)cc(Cl)cc1Cl,C40347796_decoy,ADA,Decoy,0,-7.9921,-6.45,-1.12,-8.172655211244738
C[C@H](Cc1ccco1)NS(=O)(=O)c1ccc(Cl)c(N)c1,C40348438_decoy,ADA,Decoy,0,-7.51663,-5.6,-1.61,-5.308590692928483
CC(C)NC(=O)[C@H](C)OC(=O)c1cc2cc(N)ccc2s1,C41093829_decoy,ADA,Decoy,0,-7.81138,-6.55,-1.7,-5.727259985175152
CCNC(=O)C[NH2+][C@](C)(C(=O)[O-])c1cccc(Br)c1,C41802799_decoy,ADA,Decoy,0,-7.16618,-6.84,0.09,-6.873881414585916
C[C@]([NH2+]CC(=O)NC1CC1)(C(=O)[O-])c1ccc(F)c(Cl)c1,C41805720_decoy,ADA,Decoy,0,-7.04365,-6.09,-1.99,-5.12684714965436
CCN(CC/C(N)=N/O)c1ncc(C(F)(F)F)cc1Cl,C42453740_decoy,ADA,Decoy,0,-8.4275,-7.69,-0.85,-9.496985375437289
CCC(CC)N(CCO)S(=O)(=O)c1ccc(F)c(N)c1,C42483769_decoy,ADA,Decoy,0,-7.1883,-6.63,-1.09,-8.14089519541176
O=C(NN[C@@H](C(=O)NC1CC1)c1ccccc1)c1ccccc1,C25692809_decoy,ADA,Decoy,0,-7.27326,-6.48,-1.95,-5.751630569362675
COC[C@H](C)CNS(=O)(=O)c1c(N)cc(Cl)cc1Cl,C45665039_decoy,ADA,Decoy,0,-7.8582,-5.48,-1.19,-5.030597611650583
CC[C@@H](C)NC(=O)CCNC(=O)Nc1ccc(F)c(F)c1F,C47334026_decoy,ADA,Decoy,0,-5.93607,-5.66,-0.57,-4.968978080798682
O=C(CNC(=O)C1CCCC1)NNc1ccc(Br)cc1,C48733405_decoy,ADA,Decoy,0,-7.33063,-5.77,-0.17,-5.179387962990613
O=C(CSc1cc(Cl)ccc1Cl)NNC(=O)NC1CC1,C49144618_decoy,ADA,Decoy,0,-8.29931,-6.67,-0.78,-6.468493705395606
Cc1nc(C(=O)NNC(=S)N[C@H]2CCCC[C@H]2C)cs1,C49354364_decoy,ADA,Decoy,0,-8.87811,-6.27,-0.77,-5.59080669070208
CSc1ccc(Cl)cc1NC(=O)NCC(=O)NC1CC1,C49359637_decoy,ADA,Decoy,0,-7.0841,-4.84,-1.46,-4.474526579670746
CNC(=O)c1cc(NC(=O)N[C@@H](C)Cc2ccsc2)ccc1F,C50084367_decoy,ADA,Decoy,0,-7.5318,-6.59,-0.68,-5.844947643740934
C=CCN1C=[NH+][C@@H](c2cc(OC)c(OC)cc2Br)C1=[NH2+],C50987522_decoy,ADA,Decoy,0,-7.50645,-6.61,-0.94,-7.426519888763746
CCCN(CC(F)(F)F)C(=O)c1cc(Cl)nc(NN)c1,C51094564_decoy,ADA,Decoy,0,-9.60232,-6.74,-0.44,-7.703943673525613
CCCNc1ccc(S(=O)(=O)N[C@H]2CCCC[C@H]2O)cc1,C52015865_decoy,ADA,Decoy,0,-8.29209,-7.71,-1.91,-8.146812589468054
CC(C)c1ccsc1C(=O)NCc1ccc(S(N)(=O)=O)cc1,C53081188_decoy,ADA,Decoy,0,-9.19839,-5.77,-2.48,-5.685232759079145
C[C@H]1CCCC[C@H]1OCCNc1ncc(C(N)=O)cc1Cl,C54059841_decoy,ADA,Decoy,0,-7.40154,-7.2,-1.27,-6.631329662449728
C[C@H](NC(=O)c1cccs1)C(=O)NNc1cccc(Cl)c1,C30614913_decoy,ADA,Decoy,0,-7.17602,-7.88,-0.63,-7.537140724783555
C[C@@H](NC(=O)C=C(C1CC1)C1CC1)c1ccc(S(N)(=O)=O)cc1,C56125881_decoy,ADA,Decoy,0,-8.89357,-7.27,-0.98,-8.578579518201108
Nc1ccc(F)cc1NC(=O)CS(=O)(=O)CC1CCCC1,C62836293_decoy,ADA,Decoy,0,-7.85089,-8.69,-0.88,-8.429064702506041
CN(Cc1ccccc1)S(=O)(=O)Nc1cc(F)ccc1N,C63209152_decoy,ADA,Decoy,0,-7.27092,-6.23,-0.71,-5.084550022567488
Cc1ccc(F)c(NC(=S)NNC(=O)c2cccc(C#N)c2)c1,C63344870_decoy,ADA,Decoy,0,-8.1699,-7.02,-0.54,-6.690758880508942
O=C(NCCNC(=O)c1ccccc1)N[C@H]1C[C@H]1c1cccc(F)c1,C63352374_decoy,ADA,Decoy,0,-6.89225,-7.26,-0.96,-5.474082331465052
NC(=O)CC[C@@H]1CCCN(C(=O)NCc2cc(F)cc(F)c2)C1,C66120036_decoy,ADA,Decoy,0,-7.56986,-8.31,-0.5,-9.625171527055214
O[C@]1(CNCc2c[nH]nc2-c2cccnc2)CCCc2ccccc21,C66906309_decoy,ADA,Decoy,0,-7.38583,-9.19,-0.5,-8.215353416882158
CC(C)CCC(=O)NNC(=O)N[C@H]1CCSc2ccc(F)cc21,C67040460_decoy,ADA,Decoy,0,-8.21993,-8.78,-0.43,-9.05093405426604
CC/C(N)=N/OCC(=O)N[C@@H](C)c1ccc(Br)cc1,C67385613_decoy,ADA,Decoy,0,-7.56878,-6.59,-0.87,-7.079633171236449
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)C(=O)Nc1ccccc1C,C04680219_decoy,ADA,Decoy,0,-9.24137,-9.31,-0.85,-12.032477939990702
C/C(CC(=O)NC12CC3CC(CC(C3)C1)C2)=N\NC(=O)C(=O)Nc1cccc(C)c1,C04690557_decoy,ADA,Decoy,0,-9.37495,-7.2,-1.97,-6.615378916009507
COc1cc(OC)c([C@@H]2NC(=S)NC(C)=C2C(=O)Nc2ccccc2)cc1OC,C00828157_decoy,ADA,Decoy,0,-9.74559,-7.92,-1.45,-9.44031325012134
CC(C)(C)OC(=O)[C@@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OC(C)(C)C)[C@H]1c1cccc(N)c1,C05739213_decoy,ADA,Decoy,0,-8.01055,-7.08,-1.9,-11.02205543349948
Cc1ccccc1C(=O)N(CC(C)C)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C06788778_decoy,ADA,Decoy,0,-7.92606,-6.03,-0.77,-7.207918485519937
Cc1ccc(C(=O)N[C@@H](C(=O)NC2CCN(C(=O)Nc3ccccc3)CC2)C(C)C)cc1,C10027802_decoy,ADA,Decoy,0,-8.94059,-7.63,-2.12,-6.370519745789839
CC(=O)Nc1ccc(N[C@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl,C10943771_decoy,ADA,Decoy,0,-9.26773,-8.68,-2.67,-9.566477050420575
C[C@@H]1CCCC[C@@H]1NC(=O)COC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2,C11440250_decoy,ADA,Decoy,0,-9.10611,-7.16,-1.43,-6.856950804886568
COc1ccc(C(=O)NNC(=S)NC(=O)[C@H](C)Oc2ccc(Cl)cc2Cl)cc1,C12569994_decoy,ADA,Decoy,0,-9.97069,-8.69,-1.26,-14.10020126433084
C[C@H]1C[C@@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1,C12757544_decoy,ADA,Decoy,0,-8.77504,-7.59,-2.9,-7.428770287845304
Nc1c(N(Cc2ccccc2)C(=O)[C@@H]2CC=CCC2)c(=O)[nH]c(=O)n1Cc1ccccc1,C12759331_decoy,ADA,Decoy,0,-9.32004,-7.73,-0.99,-7.059586812686631
Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2ccc(Cl)cc2Cl)o1,C13978491_decoy,ADA,Decoy,0,-7.91338,-9.27,-0.62,-8.15806094157758
Cc1cccc(C(=O)Nc2ccc(C(=O)NNC(=O)[C@@H](C)Oc3ccccc3)cc2)c1,C14004650_decoy,ADA,Decoy,0,-8.83833,-8.43,-1.01,-8.017709476539942
Cc1ccc(NC(=S)/N=C(\NC[C@@H]2CCCO2)Nc2nc(C)cc(C)n2)c(Cl)c1,C14157437_decoy,ADA,Decoy,0,-9.92585,-7.22,-3.97,-7.56667277635522
O=c1[nH]c2ccccc2c(NCc2ccco2)c1Sc1nc(-c2cccs2)n[nH]1,C14200485_decoy,ADA,Decoy,0,-8.72988,-10.19,-0.76,-9.430704447356137
Cc1ccc(C(C)C)c(OCC(=O)NNC(=O)CC[C@@H]2Cc3ccccc3NC2=O)c1,C14280293_decoy,ADA,Decoy,0,-8.39594,-10.24,-0.86,-9.287111478526082
COc1ccccc1C(=O)NCCC(=O)NNC(=O)CC12CC3CC(CC(C3)C1)C2,C15902418_decoy,ADA,Decoy,0,-9.21566,-8.1,-1.32,-8.224302126872331
COc1cccc(OC)c1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccs2)cc1,C19634230_decoy,ADA,Decoy,0,-9.40039,-6.7,-1.65,-7.213087592184824
COc1ccc(-c2cc3ncnc(NNC(=S)NC[C@H]4CCCO4)c3s2)cc1,C19797149_decoy,ADA,Decoy,0,-11.2753,-8.47,0.39,-12.000570318912123
COc1ccc(NC(=S)N/N=C2\C[C@@](C)(c3cccnc3)Oc3ccc(O)cc32)cc1,C20683650_decoy,ADA,Decoy,0,-10.6668,-7.89,-0.54,-6.808139521832743
Nn1c(NN=C2CCCC2)nnc1SCC(=O)c1ccc(Br)cc1,C21327563_decoy,ADA,Decoy,0,-9.8503,-8.45,-2.58,-8.494546144528316
Cc1cccc(O[C@@H](C)C(=O)NNC(=O)[C@@H](NC(=O)c2ccc(F)cc2)C(C)C)c1C,C21924771_decoy,ADA,Decoy,0,-8.49785,-9.01,-0.56,-8.193961872165675
CC(C)[C@@H](NS(=O)(=O)c1ccc2[nH]c(=O)c(=O)[nH]c2c1)c1ccc(C(C)(C)C)cc1,C23403244_decoy,ADA,Decoy,0,-9.51899,-9.61,-1.47,-10.966365146563255
COc1ccc([C@H](CNC(=O)c2ccc3c(c2)NC(=O)CO3)c2c[nH]c3ccccc23)cc1,C25060086_decoy,ADA,Decoy,0,-9.27557,-9.54,-1.18,-8.322821655000524
CS(=O)(=O)Nc1cc(NC(=O)c2cc3ccccc3cc2NC(=O)C2CC2)ccc1F,C25670789_decoy,ADA,Decoy,0,-10.223,-9.63,-0.97,-10.67551790103392
CNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1,C27399325_decoy,ADA,Decoy,0,-9.36457,-10.42,-0.56,-9.413151534946426
COc1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)cc1NC(C)=O,C27997196_decoy,ADA,Decoy,0,-9.66637,-9.57,-1.32,-11.082568066155751
Cc1cccc(C(=O)N[C@@H](N/C(=N/C#N)Nc2ccc(F)nc2)C(C)(Cl)Cl)c1,C28866615_decoy,ADA,Decoy,0,-11.3226,-7.67,-0.18,-10.239245096550624
O=C(CSc1nnc(NC2CCCCC2)s1)NNC(=O)c1ccc(F)cc1,C29355848_decoy,ADA,Decoy,0,-9.23291,-9.63,-0.04,-12.845186303705477
COc1ccc(NC(=O)c2ccco2)cc1NC(=S)NC(=O)c1ccccc1Cl,C32127450_decoy,ADA,Decoy,0,-10.0232,-8.52,-1.63,-10.6990352414527
CC(=O)c1c(C)[nH]c(C(=O)COC(=O)c2nc(Cl)c(Cl)c(N)c2Cl)c1C,C33781932_decoy,ADA,Decoy,0,-8.55386,-8.1,-0.56,-8.36803465102557
Cc1ccc(CN(C(=O)c2ccc(O)cc2)[C@H](C(=O)NC(C)(C)C)c2ccccc2O)o1,C36597210_decoy,ADA,Decoy,0,-7.1968,-3.71,-3.55,-4.23656922364674
Cc1ccc(CN(C(=O)c2cccc(O)c2O)[C@H](C(=O)NC(C)(C)C)c2ccccc2)o1,C36597742_decoy,ADA,Decoy,0,-8.2138,-4.22,-1.0,-4.678827842042341
COC1=CC(Cl)=C/C(=C\NNC(=O)[C@@H](NC(=O)c2cccc(Cl)c2)C(C)C)C1=O,C10039845_decoy,ADA,Decoy,0,-9.25009,-8.86,-1.71,-8.803050169937286
CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)OC(=O)c1nc(Cl)c(Cl)c(N)c1Cl,C39561137_decoy,ADA,Decoy,0,-8.56059,-8.41,-0.79,-8.843441143508905
O=C(NCCc1c[nH]c2ccccc12)[C@@H]1C=C2N=C(c3ccco3)C=C(C(F)(F)F)N2N1,C39699189_decoy,ADA,Decoy,0,-6.49497,-11.46,-0.47,-8.703801987097885
CCc1ccccc1Nc1nc(N)nc(CSCC(=O)N2CCc3sccc3C2)n1,C40051412_decoy,ADA,Decoy,0,-8.72221,-8.62,-2.16,-8.683300532971554
CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)[C@H]3CCCO3)cc2)cc1,C40072042_decoy,ADA,Decoy,0,-9.32061,-7.95,-1.82,-6.46333301251214
COc1ccc(C(=O)NNC(=S)Nc2ccc(Cl)cc2Cl)c(OC)c1OC,C46772901_decoy,ADA,Decoy,0,-9.97312,-7.75,-2.23,-8.629185503219526
COc1ccccc1NC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccc(OC)c(OC)c1,C05482515_decoy,ADA,Decoy,0,-9.87017,-7.36,-0.42,-8.619713939690918
COCCNC(=O)/C=C/[C@@H]1Cc2c(ncc(C#N)c2Nc2ccc3[nH]ccc3c2C)S1,C52551474_decoy,ADA,Decoy,0,-10.9859,-6.68,-2.52,-8.32711876870094
O=C(COc1ccc(C(=O)Nc2[nH+]cccc2[O-])cc1)Nc1cccc(C(F)(F)F)c1,C57808976_decoy,ADA,Decoy,0,-7.9548,-9.71,-2.54,-7.452649812718453
CC(=O)Nc1cc(C(=O)/N=C(/NC[C@H]2CCCO2)Nc2cc(C)ccc2C)ccc1C,C46130199_decoy,ADA,Decoy,0,-8.84892,-8.49,-1.9,-7.911769708283432
CC(=O)Nc1ccc(/C=C/C(=O)NNC(=O)[C@@H](C)Oc2c(C)cc(Cl)cc2C)cc1,C27204830_decoy,ADA,Decoy,0,-9.74036,-9.09,-1.61,-8.502401081876757
Nn1c(N/N=C/c2ccccc2)nnc1SCC(=O)c1ccc(Br)cc1,C20291681_decoy,ADA,Decoy,0,-8.5325,-9.04,-1.99,-8.230685241816353
COc1cc(/C=C/C(=O)Nc2ccccc2N2CCc3ccccc32)ccc1OCC(N)=O,C59849888_decoy,ADA,Decoy,0,-8.84066,-9.27,-1.55,-7.401265229706886
CC(C)NS(=O)(=O)c1ccc(Cl)c(C(=O)NCC(=O)Nc2ccc(Cl)cc2)c1,C59988249_decoy,ADA,Decoy,0,-9.35728,-7.35,-1.18,-7.8157348356734495
COc1cc(C(=O)NNC(=O)N[C@H](C)c2ccccc2C(F)(F)F)ccc1OC(C)C,C60021509_decoy,ADA,Decoy,0,-9.11573,-8.9,-2.17,-8.90918704133179
CC(=O)Nc1cc(C(=O)N[C@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)ccc1F,C60360150_decoy,ADA,Decoy,0,-8.86803,-8.1,-0.86,-7.6801883668175215
O=C(NNc1ccc(S(=O)(=O)NC2CC2)cc1)c1ccccc1C(=O)c1ccccc1,C60369017_decoy,ADA,Decoy,0,-8.54033,-5.23,-0.51,-4.97910453788739
CC(=O)Nc1ccc(NC(=O)[C@@H](C)OC(=O)c2ccc(-c3ccc(O)cc3)cc2)cc1,C04220842_decoy,ADA,Decoy,0,-9.84794,-9.54,-1.46,-8.448842807479835
COc1ccc(OC)c(NC(=O)C2=C(C)NC(=S)N[C@@H]2c2ccccc2OC)c1,C01151923_decoy,ADA,Decoy,0,-8.65152,-8.01,-1.53,-9.215428255534151
Cc1cccc(NC(=O)c2ccccc2NC(=O)C(=O)N/N=C/C=C/c2ccccc2)c1,C02520398_decoy,ADA,Decoy,0,-9.55337,-9.23,-2.3,-8.78467639989044
CCOC(=O)c1ccc(-n2c(N)c(C(=O)Nc3ccccc3OC)sc2=S)cc1,C03018709_decoy,ADA,Decoy,0,-9.98871,-7.13,-0.61,-9.3271814728333
C/C(CC(=O)NC1C2CC3CC(C2)CC1C3)=N\NC(=O)C(=O)Nc1ccc(C)cc1,C04691167_decoy,ADA,Decoy,0,-9.30828,-8.75,-1.0,-7.950075063062001
CCN(CC)c1ccc2cc(C(=O)Nc3sc4c(c3C(N)=O)CCCC4)c(=O)oc2c1,C00900970_decoy,ADA,Decoy,0,-10.5699,-9.21,-0.74,-8.8067435087685
CC[C@@]1(C)Cc2c(sc3nc(SCC(=O)NCc4ccco4)nc(N)c23)CO1,C05180387_decoy,ADA,Decoy,0,-9.85618,-7.64,-0.43,-7.795279602201305
C/C=C/C=C/C(=O)NNC(=O)c1cccc(S(=O)(=O)Nc2ccc(C)cc2C)c1,C06551317_decoy,ADA,Decoy,0,-8.41204,-8.07,-1.11,-6.894094556715787
COC(=O)c1c(NC(=S)NNC(=O)c2ccccn2)sc(C)c1-c1ccccc1,C02853070_decoy,ADA,Decoy,0,-9.61362,-8.22,-0.46,-9.261878142898064
Cc1ccc(OCC(=O)NNC(=O)c2ccc(NC(=O)C3CCCCC3)cc2)cc1,C06845584_decoy,ADA,Decoy,0,-8.21542,-9.84,-0.65,-7.945569166255865
O=C(CSc1nnc(Nc2ccccc2F)s1)NNC(=O)c1cccs1,C03446460_decoy,ADA,Decoy,0,-9.8575,-6.9,-1.4,-7.2655539159033875
CC(C)c1ccc(NC(=O)O[C@@H]2CO[C@H]3[C@@H]2OC[C@@H]3NC(=S)Nc2ccccc2)cc1,C03841745_decoy,ADA,Decoy,0,-8.78393,-9.4,-1.74,-8.886582140489383
O=C(NCc1cccs1)C(=O)Nc1c(C(=O)Nc2ccc(F)cc2)oc2ccccc12,C09705786_decoy,ADA,Decoy,0,-9.42234,-5.33,-3.48,-5.555923611218765
CC(=O)Nc1ccc(N[C@@H](C)C(=O)Nc2ccc(N3CCOCC3)cc2)cc1Cl,C10943768_decoy,ADA,Decoy,0,-9.98043,-9.36,-1.13,-8.258885460358572
Cc1ccc(C(=O)NC[C@H]2O[C@@H](CC(=O)N(C)Cc3ccccc3)[C@H](O)[C@@H]2O)cc1,C12603607_decoy,ADA,Decoy,0,-9.46555,-11.17,-1.11,-16.560806018792643
Cc1cc(C)cc(NC(=O)[C@@H](OC(=O)[C@H]2CCCN(C(N)=O)C2)c2ccccc2)c1,C12689162_decoy,ADA,Decoy,0,-10.3392,-9.97,-1.88,-10.534082766620754
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NNC(=O)c3ccccc3)cc2)cc1C,C12507949_decoy,ADA,Decoy,0,-8.45143,-8.34,-1.32,-7.049541645206954
CC(=O)Nc1ccc(C(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3Cl)c2)cc1,C13125969_decoy,ADA,Decoy,0,-9.19005,-4.92,-0.79,-5.477268884918845
CC(C)(C)CC(=O)N(CCC1=CCCCC1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C14697657_decoy,ADA,Decoy,0,-9.30281,-7.39,-3.05,-7.527523591723991
CC(C)(C)[C@H]1CCc2sc(C(=O)NNC(=O)CCNC(=O)c3ccco3)cc2C1,C15535863_decoy,ADA,Decoy,0,-9.0349,-7.38,-0.68,-7.0948276339151874
CNC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C(=O)Nc2ccc(Cl)cc2)cc1,C15756080_decoy,ADA,Decoy,0,-8.7277,-5.56,-3.13,-5.827294004615573
COc1ccc(-c2cc3ncnc(NNC(=S)NC[C@@H]4CCCO4)c3s2)cc1,C19797148_decoy,ADA,Decoy,0,-9.94662,-8.42,-0.04,-8.93617549249603
CC(C)CN(C(=O)C12CC3CC(CC(C3)C1)C2)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C20968883_decoy,ADA,Decoy,0,-8.63877,-5.06,-1.42,-5.355002772721195
Cc1ccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c(C)c1,C21090125_decoy,ADA,Decoy,0,-10.6088,-9.9,-0.61,-10.861968968558434
Cc1cccc(NC(=O)[C@H](CC(C)C)NS(=O)(=O)c2ccc3[nH]c(=O)ccc3c2)c1,C21090173_decoy,ADA,Decoy,0,-8.94289,-9.88,-2.3,-9.79205630941929
Cc1ccc(NC(=O)[C@H](NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)C(C)C)cc1C,C21535754_decoy,ADA,Decoy,0,-9.30414,-9.29,-1.08,-9.0578924013761
CCNC(=O)c1ccccc1NC(=O)c1ccc(NS(=O)(=O)c2ccccc2)cc1,C27947958_decoy,ADA,Decoy,0,-9.46658,-9.91,-1.04,-9.777137262904734
Cc1[nH]c(C(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c(C)c1C(=O)OC(C)C,C30395136_decoy,ADA,Decoy,0,-9.18286,-8.61,-1.21,-8.937496066026872
Cc1ccc(NC(=O)[C@@H](CC(C)C)NS(=O)(=O)c2ccc3c(c2)CCCC(=O)N3)cc1,C21535820_decoy,ADA,Decoy,0,-7.92608,-8.71,-1.14,-7.129838325049379
Cc1cccc(NC(=S)NCCNc2nc3cc4c(cc3cc2C#N)OCO4)c1,C35292180_decoy,ADA,Decoy,0,-10.6916,-8.78,-0.23,-9.454296869196206
Cc1ccccc1C(=O)N[C@@H](C(=O)N[C@@H](C)C(C)C)C1CCN(C(=O)NC(C)C)CC1,C35749567_decoy,ADA,Decoy,0,-8.80784,-6.46,-2.04,-5.988666433787112
CC(C)C(=O)Nc1ccc2[nH]cc([C@H](C(=O)[O-])[NH+]3CCN(c4ccc(F)cc4)CC3)c2c1,C36360752_decoy,ADA,Decoy,0,-8.81375,-7.46,-1.45,-7.017089332465063
O=C1CC[C@@H](C(=O)N(C2CCCCC2)[C@@H](C(=O)NC2CCCCC2)c2cccc(O)c2)N1,C36490622_decoy,ADA,Decoy,0,-8.47174,-6.6,-0.64,-5.929285939441942
CC(C)(C)NC(=O)[C@H](c1ccccc1)N(Cc1ccco1)C(=O)c1c(O)cccc1O,C36500561_decoy,ADA,Decoy,0,-7.21444,-3.85,-2.16,-4.050305175808259
CC(C)(C)N(C(=O)c1cccc(O)c1O)[C@@H](C(=O)NC1CCCCC1)c1ccco1,C36587016_decoy,ADA,Decoy,0,-5.23638,-6.39,-2.47,-4.530526229843742
O=c1cc(C[C@H]2NN=C(SCc3ccccc3F)N2c2ccccc2)[nH]c(=O)[nH]1,C39361634_decoy,ADA,Decoy,0,-8.08213,-7.58,-1.79,-6.848674273009927
CCO[C@@H]1CN(c2cc(CC)ccc2NS(=O)(=O)c2ccccc2O)CCN1,C39481212_decoy,ADA,Decoy,0,-9.75199,-7.55,-3.04,-8.009073857341587
CC(C)(C)c1ccc(C(=O)NCC(=O)Nc2ccc(NC(=O)[C@@H]3CCCO3)cc2)cc1,C40072041_decoy,ADA,Decoy,0,-9.00906,-9.84,-3.06,-8.206418136320513
CNC(=O)C1(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3)cc2)CCCCC1,C40155252_decoy,ADA,Decoy,0,-8.26917,-6.11,-0.63,-5.348848821652354
C=CCOc1cccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCO)c1,C39911514_decoy,ADA,Decoy,0,-10.1172,-9.24,-1.91,-9.820140269503854
COc1ccc(CCNc2ncnc(N3C[C@]4(C)C[C@H]3CC(C)(C)C4)c2N)cc1OC,C40683702_decoy,ADA,Decoy,0,-9.20401,-9.32,-0.52,-13.022857421690125
C[C@@H](Sc1nnc(NCc2ccc(F)cc2)s1)C(=O)NC(=O)NC1CCCCC1,C45540288_decoy,ADA,Decoy,0,-9.72122,-7.85,-1.19,-7.631814229196994
O=C(Nc1ccc(NS(=O)(=O)c2ccc(OC(F)(F)F)cc2)cc1)NC1CC1,C45866276_decoy,ADA,Decoy,0,-7.18902,-6.8,-0.72,-6.548140710778308
Cc1cccc(C(=O)Nc2ccccc2C(=O)NCc2ccc(N3CCNC(=O)C3)cc2)c1,C46717929_decoy,ADA,Decoy,0,-7.5026,-5.16,-1.65,-4.821706420125008
O=C(/C=C/c1ccc2c(c1)OCO2)NC(=S)NNC(=O)[C@H]1C[C@@H]1c1ccccc1,C05047279_decoy,ADA,Decoy,0,-9.21901,-10.26,-0.6,-9.478854906990536
CCOc1cccc([C@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2CCCO)c1,C09243119_decoy,ADA,Decoy,0,-10.0894,-8.55,-1.18,-10.30488685521832
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C)cc2O)c1,C08033669_decoy,ADA,Decoy,0,-8.30296,-8.66,-2.98,-8.149591352157799
C[C@@H](OC(=O)c1sccc1-c1ccccc1)C(=O)Nc1cccc(S(N)(=O)=O)c1,C16793583_decoy,ADA,Decoy,0,-9.90674,-7.34,-1.19,-6.566569527025448
Cc1ccc(/C=C/C(=O)NC(=S)NNC(=O)COc2cc(C)c(Cl)c(C)c2)o1,C59072487_decoy,ADA,Decoy,0,-9.59319,-9.47,-0.55,-9.870188456337122
CCN1[C@@H](SCc2cc(=O)c3cccc(F)c3[nH]2)NN[C@@H]1COc1ccc(OC)cc1,C63686635_decoy,ADA,Decoy,0,-10.6016,-9.14,-1.59,-9.742425629304748
CCc1cccc(CC)c1NC(=S)NNc1nc(C)cc(C)n1,C03258758_decoy,ADA,Decoy,0,-7.64372,-7.77,-1.35,-7.630779134802937
Nc1ccc(S(=O)(=O)c2ccc(NCCc3ccccn3)cc2)cc1,C06208633_decoy,ADA,Decoy,0,-7.84079,-7.8,-0.58,-6.165933342753558
C[C@H](Sc1ccc(F)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,C03522712_decoy,ADA,Decoy,0,-8.92631,-9.02,-0.28,-8.067058145940745
CSc1ccccc1NC(=O)C(=O)NCCc1c[nH]c2ccccc12,C10326725_decoy,ADA,Decoy,0,-7.53063,-9.64,-0.69,-8.737136044322984
CC(C)NC(=O)c1ccc(NC(=S)NC(=O)c2ccccc2F)cc1,C14554671_decoy,ADA,Decoy,0,-9.01543,-9.05,-5.01,-7.982514418428384
O=C(NN[C@H](C(=O)NC1CC1)c1ccccc1)c1ccc(Cl)cc1,C15462547_decoy,ADA,Decoy,0,-8.33247,-6.36,-0.64,-6.005853251040774
Cc1cccc(NC(=S)NNC(=O)c2c(C)oc(C)c2C)c1C,C15665465_decoy,ADA,Decoy,0,-8.01157,-6.77,-0.62,-6.050560369524527
COc1ccccc1/C=C/C(=O)NNC(=S)Nc1ccccc1,C15871322_decoy,ADA,Decoy,0,-7.7774,-8.12,-0.84,-7.648805401995165
O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(Br)cc1,C16211156_decoy,ADA,Decoy,0,-8.70926,-6.66,-0.21,-11.44271093973882
O=C(NNC(=S)NC[C@@H]1CCCO1)c1ccc(Cl)cc1Cl,C16240328_decoy,ADA,Decoy,0,-8.85907,-6.27,-1.41,-6.372494433191012
O=C(NC1CCCCC1)c1ccc(NC(=S)NC(=O)C2CC2)cc1,C20058656_decoy,ADA,Decoy,0,-8.9443,-7.16,-0.39,-7.197636528897776
CCc1c(C(=O)NNC(=S)NC[C@@H]2CCCO2)csc1C,C13554681_decoy,ADA,Decoy,0,-8.48571,-6.1,-0.72,-5.684305834689788
CCNC(=O)C[NH2+][C@@](CC)(C(=O)[O-])c1ccc(Br)cc1,C41802767_decoy,ADA,Decoy,0,-7.18599,-6.45,-1.55,-7.137732557246743
C=CCNC(=S)NNC(=O)Cc1coc2cc3c(cc12)CCC3,C41960799_decoy,ADA,Decoy,0,-7.24295,-8.82,-0.69,-8.47588791619398
N#Cc1ccccc1Sc1ccccc1C(=O)NCCCC(N)=O,C42928612_decoy,ADA,Decoy,0,-9.62538,-7.97,-1.36,-8.346466406610437
Cc1nc(NC(=O)/C=C/c2ccc(F)cc2)sc1SCC(N)=O,C45095572_decoy,ADA,Decoy,0,-9.26947,-6.33,-0.01,-6.708413742366767
NC(=O)N[C@@H](CC(=O)N1CCC[C@H]1c1ccsc1)c1cccs1,C47165639_decoy,ADA,Decoy,0,-9.51768,-8.14,-0.35,-9.691852237555382
CNC(=O)NNC(=O)CCSc1ccc(Br)cc1,C48950906_decoy,ADA,Decoy,0,-6.83422,-6.75,-0.21,-6.744924216146505
COc1ccc(N)cc1S(=O)(=O)N[C@@H](C)c1ccc(Cl)s1,C49126920_decoy,ADA,Decoy,0,-9.0445,-6.24,-0.34,-5.743711426812737
COc1ccc(N)cc1S(=O)(=O)N[C@H](C)c1ccc(Cl)s1,C49126922_decoy,ADA,Decoy,0,-8.24247,-6.03,-2.47,-5.810561466966741
Cc1cc(Br)ccc1SCC(=O)NNC(=O)NC1CC1,C49128989_decoy,ADA,Decoy,0,-8.86578,-6.48,-0.62,-7.884051300811016
Cc1cc2cc(CCNC(=S)NC[C@@H]3CCCO3)c(=O)[nH]c2cc1C,C04225322_decoy,ADA,Decoy,0,-8.68322,-8.2,-0.38,-7.87828243209134
Cc1cc2cc(CCNC(=S)NC[C@H]3CCCO3)c(=O)[nH]c2cc1C,C04225323_decoy,ADA,Decoy,0,-8.30145,-8.15,-0.6,-8.116754822691986
C#CCNC(=O)CCNC(=O)Nc1ccc(Cl)cc1C(F)(F)F,C50057971_decoy,ADA,Decoy,0,-6.83923,-7.34,-1.9,-7.639436456153464
NC(=O)COc1ccc(/C=C/C(=O)N[C@H]2CCc3ccccc32)cc1,C53477282_decoy,ADA,Decoy,0,-9.44643,-8.4,-1.09,-7.941446419617394
NC(=O)COc1ccc(/C=C/C(=O)N[C@@H]2CCc3ccccc32)cc1,C53477284_decoy,ADA,Decoy,0,-9.41753,-8.97,-0.61,-8.2983274109918
C[C@H](N[C@H](C)c1ccc2c(c1)CCCC2)C(=O)NC(=O)NC1CC1,C53782121_decoy,ADA,Decoy,0,-7.47513,-8.47,-1.4,-10.315910414604806
NC(=O)N[C@H](CC(=O)N1CCC[C@H]1c1ccccc1)c1cccs1,C09959217_decoy,ADA,Decoy,0,-10.0026,-8.52,-0.5,-9.577971183818358
NC(=O)CSc1ccccc1NC(=O)N1CCC[C@@H]1c1cccs1,C58156740_decoy,ADA,Decoy,0,-8.74202,-8.29,-1.61,-10.6462124644354
C[C@@H](Cc1ccc(Br)cc1)NC(=O)CNC(=O)NC1CC1,C58315026_decoy,ADA,Decoy,0,-7.57928,-6.89,-0.59,-6.174668298709143
CCCNC(=O)CCN[C@H]1C(=O)Nc2c(C)cc(Br)cc21,C45073030_decoy,ADA,Decoy,0,-7.36988,-7.86,-0.64,-12.094780625008044
CSCc1ccc(C(=O)N[C@H](C)c2ccc3[nH]c(=O)[nH]c3c2)cc1,C47557711_decoy,ADA,Decoy,0,-8.82327,-7.44,-0.58,-6.614591918946236
COC(=O)[C@@H](NC(=O)c1cc(N)c(F)cc1Br)C(C)C,C61079673_decoy,ADA,Decoy,0,-7.35563,-5.7,-0.62,-5.595826652216761
CC[NH2+]C[C@H](C)C(=O)Nc1ccc(Br)cc1C(=O)[O-],C61268145_decoy,ADA,Decoy,0,-8.08577,-6.71,-0.59,-8.006995851846735
C[C@@H](Nc1ccc(S(=O)(=O)N(C)C)cc1N)c1ccsc1,C61361258_decoy,ADA,Decoy,0,-8.20252,-7.53,-1.58,-8.159314578265286
O=C(NNC(=S)NC[C@@H]1CCCO1)[C@H]1C[C@H]1c1cccc(F)c1,C63837731_decoy,ADA,Decoy,0,-8.29171,-7.17,-1.53,-6.334141921521503
O=C(NCC(F)(F)F)NNC(=O)c1ccc(F)c(C(F)(F)F)c1,C63838810_decoy,ADA,Decoy,0,-4.48001,-8.57,-1.7,-6.3196850263845805
N#Cc1ccc(NCC(=O)NC[C@H](O)c2ccc(F)c(F)c2)cc1,C64724649_decoy,ADA,Decoy,0,-9.14788,-6.01,-0.38,-6.185464624050494
CC(=O)N[C@@H](C(=O)NCCc1c(C)[nH]c2ccccc12)C1CCCC1,C65492108_decoy,ADA,Decoy,0,-7.65742,-6.32,-0.45,-6.231320730161681
C#CCN1CCCC[C@@H]1C(=O)NNC(=S)Nc1ccccc1C(C)C,C66122455_decoy,ADA,Decoy,0,-9.42435,-7.96,-1.56,-14.250818457532276
Nc1nnc(SC[C@H](O)CO[C@@H]2CCCc3ccccc32)s1,C66237244_decoy,ADA,Decoy,0,-11.6145,-7.47,-0.56,-9.245973375465068
CC1(CNC(=O)CCCC[C@@H]2SC[C@H]3NC(=O)N[C@H]23)CCCC1,C66442842_decoy,ADA,Decoy,0,-8.9392,-7.54,-0.13,-6.612799334443353
CSC[C@H](C)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1,C66762079_decoy,ADA,Decoy,0,-8.2822,-7.38,-1.75,-7.083612837100088
O=C(NC[C@]1(O)CCCc2ccccc21)C1(C(=O)NC2CC2)CCC1,C66929943_decoy,ADA,Decoy,0,-8.18533,-9.27,-2.58,-8.09721423990336
O=C(NCCNC(=O)C1CC1)NCC1(c2ccc(Cl)cc2)CC1,C67061619_decoy,ADA,Decoy,0,-8.13881,-8.14,-0.9,-8.815133675828982
C#Cc1cccc(NC(=S)NNC(=O)/C=C/c2ccccc2C#N)c1,C67196426_decoy,ADA,Decoy,0,-8.94219,-9.67,-0.68,-8.935932391491717
C#Cc1cccc(NC(=S)NNC(=O)/C=C/c2ccccc2OC)c1,C67196668_decoy,ADA,Decoy,0,-9.09689,-7.14,-0.35,-7.611641417226997
NC(=O)CNC(=O)[C@H](Oc1cc(Cl)ccc1Cl)c1ccccc1,C67246830_decoy,ADA,Decoy,0,-9.0211,-7.1,-2.2,-6.551264883091102
C[C@H](NC(=O)CO/N=C(/N)c1ccc(F)c(F)c1)c1ccc(F)cc1,C67386172_decoy,ADA,Decoy,0,-7.35708,-7.96,-0.72,-7.364513997018417
O=C(Nc1ccc(C(=O)NC2CC2)cc1)N[C@@H]1C[C@H]1c1ccccc1,C67562560_decoy,ADA,Decoy,0,-8.02373,-9.56,-0.68,-8.091366171074997
CCOc1ccc(NC(=O)NNC(=O)c2cccs2)cc1,C00120978_decoy,ADA,Decoy,0,-7.37599,-8.27,-0.87,-7.766068918685346
COCCOC(=O)C1=C(C)NC(=S)N[C@@H]1c1ccccc1O,C04159227_decoy,ADA,Decoy,0,-8.59892,-3.96,-1.55,-5.12063585753285
O=C(N/N=C/c1ccc[nH]1)c1ccc(NC(=O)C2CC2)cc1,C00070607_decoy,ADA,Decoy,0,-6.77536,-5.49,-0.6,-4.377640630396889
COc1cc(/C=N/NC(=O)c2ccc(N)cc2)cc(OC)c1,C03574167_decoy,ADA,Decoy,0,-7.15031,-7.62,-1.3,-7.04116788906158
C=CCOc1c(Cl)cc(/C=N/NC(N)=O)cc1OCC,C13747367_decoy,ADA,Decoy,0,-7.56884,-6.17,-1.18,-6.365933061653375
O=C(CNC(=O)C1CCCCC1)N/N=C/c1ccc(O)cc1,C13984566_decoy,ADA,Decoy,0,-8.38854,-8.64,-1.42,-7.817119927660346
CCC[C@H]1Nc2ccc(S(=O)(=O)NCC)cc2NC1=O,C31890622_decoy,ADA,Decoy,0,-8.77887,-7.14,-0.15,-7.935484702499093
COc1ccccc1NC(=O)N[C@@H](C)C(=O)Nc1ccccc1C,C34951578_decoy,ADA,Decoy,0,-7.29194,-7.39,-0.97,-5.78078470538231
C[C@@H](NC(=O)c1csc(Nc2ccccc2)n1)C(=O)NC1CC1,C35594376_decoy,ADA,Decoy,0,-8.13779,-8.63,-0.52,-8.641501240401562
CCOc1nc(NC(=O)Cc2cccc(Cl)c2)cc(N)c1C#N,C14960036_decoy,ADA,Decoy,0,-7.71365,-6.88,-0.61,-6.612589047359893
COc1ccc(S(N)(=O)=O)cc1N[C@H](C)CC(C)(C)OC,C37134903_decoy,ADA,Decoy,0,-8.63772,-7.05,-1.55,-7.280790200747704
NC(=O)c1cc(NCc2csc([N+](=O)[O-])c2)ccc1Cl,C37562915_decoy,ADA,Decoy,0,-7.37578,-6.96,-0.42,-6.504549815141192
CC(C)[C@@H](C)NC(=O)CSc1nnc(-c2cccs2)n1N,C04536634_decoy,ADA,Decoy,0,-8.89488,-5.71,-0.78,-5.41520630617214
CC(C)[C@H](C)NC(=O)CSc1nnc(C2CCCCC2)n1N,C39578295_decoy,ADA,Decoy,0,-8.21414,-8.38,-0.4,-13.541041817022538
CCCN(CCC)C(=O)NCc1ccc(S(N)(=O)=O)cc1,C42954232_decoy,ADA,Decoy,0,-8.59744,-5.23,-0.74,-5.519299292005472
C[NH+](C)C(C)(C)CNC(=O)Nc1cc(F)ccc1C(=O)[O-],C43412504_decoy,ADA,Decoy,0,-7.60916,-6.67,-0.23,-6.750915605359404
C=CCN(CC=C)C(=O)N[C@H](C)c1cccc(S(N)(=O)=O)c1,C45125355_decoy,ADA,Decoy,0,-8.77646,-6.98,-1.1,-7.963680519183784
CCCNC(=S)NNC(=O)c1nc(-c2cccs2)oc1C,C46565721_decoy,ADA,Decoy,0,-8.85526,-6.79,-0.3,-7.493168365332408
CC(C)Oc1ccc(NC(=O)NCCNC(=O)C2CC2)cc1,C48456776_decoy,ADA,Decoy,0,-6.65533,-7.82,-1.07,-7.19353477379055
CCCOc1ccc(NCC(=O)NC(=O)NC)cc1Cl,C48658575_decoy,ADA,Decoy,0,-6.95851,-6.12,-0.53,-6.564552612225063
Nc1nc(CSc2nccs2)nc(Nc2ccccc2)n1,C52914111_decoy,ADA,Decoy,0,-9.0965,-4.82,-1.11,-5.318987664409691
C=CCOC(=O)[C@H]1[C@H](c2ccccc2)c2c(O)n[nH]c2C[C@@]1(C)O,C04908661_decoy,ADA,Decoy,0,-8.96071,-8.4,-0.68,-10.222525301255594
CC(C)NC(=O)c1ccc(NCC(=O)N[C@](C)(C#N)C(C)C)cc1,C55881114_decoy,ADA,Decoy,0,-8.28585,-7.34,-1.15,-7.418384856723491
Cc1ccc(NC(=O)C2CC2)cc1NC(=O)NC[C@@H]1CCCO1,C57544797_decoy,ADA,Decoy,0,-7.98235,-4.89,-0.83,-5.091932822843405
COc1cc2nc(C(F)F)cc(NN)c2c(OC)c1OC,C61629893_decoy,ADA,Decoy,0,-8.10098,-6.43,0.17,-7.457739244970237
Cc1cc(C)cc(NC(=O)N[C@@H](C)C(=O)NCc2ccco2)c1,C62373168_decoy,ADA,Decoy,0,-6.5228,-8.01,-2.8,-6.750859192250193
CC(C)NC(=O)NNS(=O)(=O)c1ccc(C(C)(C)C)cc1,C62930877_decoy,ADA,Decoy,0,-7.26412,-7.37,-2.74,-7.665960175978671
CCc1c(C(=O)CO/N=C(/N)C2CCCC2)[nH]c(C)c1C(C)=O,C63455510_decoy,ADA,Decoy,0,-8.43525,-7.82,-0.39,-8.260184707866037
C[C@H](Cc1ccco1)NC(=O)N[C@@H](C)c1ccc2c(c1)CC(=O)N2,C48232150_decoy,ADA,Decoy,0,-7.16477,-8.89,-2.5,-7.49622765765082
C[C@H](Cc1ccco1)NC(=O)N[C@H](C)c1ccc2c(c1)CC(=O)N2,C48232156_decoy,ADA,Decoy,0,-7.01477,-8.56,-1.36,-8.355277233149426
CCOc1ccc(NC(=O)NCCNC(=O)C2CC2)cc1C,C64546759_decoy,ADA,Decoy,0,-6.90265,-7.6,-0.61,-7.498406717913969
COCCNC(=O)NNC(=O)/C=C/c1ccc(C(C)(C)C)cc1,C64899321_decoy,ADA,Decoy,0,-8.48446,-6.54,-0.36,-11.551822944451926
COCCNC(=O)NNC(=O)c1sc2cccc(F)c2c1C,C64899670_decoy,ADA,Decoy,0,-6.99083,-7.9,-0.31,-7.325409926780837
CO[C@H](C)C(=O)Nc1cccc(NC(=O)NC2CCCC2)c1,C65014860_decoy,ADA,Decoy,0,-7.15942,-6.75,-0.78,-6.4992443525556585
C[C@@H](Cc1ccco1)NC(=O)CNC(=O)NCC1CCCC1,C50574151_decoy,ADA,Decoy,0,-7.01341,-5.48,-1.76,-4.833254988646734
CCNC(=O)c1c(C)nc(N)nc1COc1c(C)cccc1C,C66136068_decoy,ADA,Decoy,0,-8.78722,-7.66,-1.06,-8.605056741158467
COc1cccc(C(=O)NNC(=O)[C@@H]2C[C@H]2c2ccccc2)c1O,C66320621_decoy,ADA,Decoy,0,-8.48123,-8.55,-0.52,-8.885211442122129
C[C@H]1C[C@@H](CC(=O)NCC(=O)Nc2cn[nH]c2)CC(C)(C)C1,C66643461_decoy,ADA,Decoy,0,-7.44558,-8.83,-1.18,-7.221175482831613
CCOCC(=O)NNC(=O)NCCC12CC3CC(CC(C3)C1)C2,C66688307_decoy,ADA,Decoy,0,-8.26403,-7.94,-0.92,-8.640456557784733
CCOCC(=O)NNC(=O)N[C@H](c1cccs1)C1CCCC1,C66700242_decoy,ADA,Decoy,0,-9.46423,-5.5,0.19,-7.580483368663814
CC(C)(C)SCCNC(=O)c1cc(F)cc([N+](=O)[O-])c1N,C66736332_decoy,ADA,Decoy,0,-5.78582,-5.7,-0.55,-4.64269949585385
O=C(CCC1CCCCC1)NNC(=O)C(=O)Nc1ccccc1,C66782939_decoy,ADA,Decoy,0,-7.27263,-7.87,-1.77,-10.47505623170962
CC(C)Oc1ccc(F)cc1NCC(=O)NC(=O)NC1CC1,C66826926_decoy,ADA,Decoy,0,-6.93068,-6.32,-0.86,-5.404075481489235
Cc1ccsc1C(=O)NNC(=O)N[C@H](C)COCC(C)C,C67082476_decoy,ADA,Decoy,0,-7.51628,-5.76,-0.58,-5.425332594138859
O=C(CCC1CCCCC1)NNC(=O)CNC(=O)C1CCCC1,C67181305_decoy,ADA,Decoy,0,-7.97704,-8.55,-0.62,-9.050202309662472
C[C@@H](CC(=O)N1CCC[C@H]1C(N)=O)NC(=O)C1CCCCC1,C67191164_decoy,ADA,Decoy,0,-7.26061,-7.41,-0.94,-8.272225868215159
CC(C)(CC(=O)NNC(=O)NC[C@@H]1CCCO1)c1ccccc1,C67236611_decoy,ADA,Decoy,0,-7.40488,-7.27,-1.87,-7.918821880003696
COCCNC(=O)CNC(=O)NC(C)(C)c1ccc(Cl)cc1,C67386667_decoy,ADA,Decoy,0,-7.11205,-6.1,-0.7,-5.906780434680063
COc1cccc(C(=O)NNC(=O)/C=C/c2cccc(F)c2)c1O,C67466034_decoy,ADA,Decoy,0,-7.56673,-9.24,-0.49,-8.143756741695697
COc1cccc(C(=O)NNC(=O)Cc2ccc(C)s2)c1O,C67466342_decoy,ADA,Decoy,0,-7.51985,-7.97,-0.12,-11.329709581935646
CCN(CC)c1ccc(/C=N/NC(=O)c2cc(O)cc(O)c2)cc1,C00288593_decoy,ADA,Decoy,0,-8.90967,-8.04,-1.03,-11.762504960312334
COc1ccccc1N[C@@H](C)C(=O)N/N=C/c1cccc(O)c1,C00236980_decoy,ADA,Decoy,0,-8.81491,-6.62,-2.01,-6.278799583335946
C[C@H]1CCCC[C@H]1NC(=O)COC(=O)c1ccccc1NCCO,C05278400_decoy,ADA,Decoy,0,-7.38114,-8.76,-1.19,-7.928653958179613
C/C(OC/C(=N\NC(N)=O)c1ccccc1)=C(/C#N)c1ccccc1,C05369177_decoy,ADA,Decoy,0,-8.04314,-10.53,-1.47,-9.115572931348565
NC(=S)N/N=C/c1ccc(OS(=O)(=O)c2ccccc2)cc1,C06241555_decoy,ADA,Decoy,0,-8.51139,-7.06,-0.67,-6.024396531252867
CC(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cccc(C)c2N)cc1,C07306115_decoy,ADA,Decoy,0,-8.00644,-6.55,-0.76,-5.4423006275880255
Cc1ccc(SCCNC(=O)c2ccc(N)c([N+](=O)[O-])c2)cc1,C09888960_decoy,ADA,Decoy,0,-6.95447,-8.18,-0.55,-6.52973736910429
CC(C)[C@H](Nc1ccc(C(N)=O)cc1[N+](=O)[O-])c1ccccc1,C15142423_decoy,ADA,Decoy,0,-6.44455,-7.67,-0.89,-8.42673252928173
CC[C@H](C)NC(=O)[C@H](C)Sc1nnc(-c2ccc(F)cc2)n1N,C23612171_decoy,ADA,Decoy,0,-7.40819,-5.88,-1.12,-5.473609188558121
CCOC(=O)C1=C(CN[C@H](c2cccs2)C(C)C)NC(=O)NC1,C29190000_decoy,ADA,Decoy,0,-7.87576,-6.39,-0.65,-8.43337314701871
CC[C@H](C)NC(=O)CSc1nnc(CCC2CCCCC2)n1N,C32946474_decoy,ADA,Decoy,0,-8.5528,-8.34,-1.8,-13.90706527567206
C=CCOc1ccc(OCCSc2nc(N)cc(=O)[nH]2)cc1,C16490134_decoy,ADA,Decoy,0,-7.07108,-7.16,-0.59,-7.194417898589964
COc1cc(N)c(Cl)cc1C(=O)OCC(=O)NC1CCCC1,C02632256_decoy,ADA,Decoy,0,-7.73295,-7.46,-1.74,-7.186968301440031
CC[C@H]1CCCCN1c1ncnc(NCc2ccc(OC)cc2)c1N,C40733283_decoy,ADA,Decoy,0,-8.22946,-8.14,-0.18,-11.169035473712825
Nc1c(NCCC2=CCCCC2)ncnc1Oc1cccnc1,C40756120_decoy,ADA,Decoy,0,-7.85926,-7.48,-0.79,-7.582246312265281
CC(C)(C)OC(=O)NN/C(=C/c1ccccc1)NCc1ccco1,C43769314_decoy,ADA,Decoy,0,-7.42308,-6.77,-2.41,-9.150212928088305
CC(C)C[C@@H](CNC(=O)NNc1ccc(F)cc1)N1CCOCC1,C45492727_decoy,ADA,Decoy,0,-8.20351,-7.68,-1.99,-8.138141341436318
Cc1occc1C(=O)NCC(=O)NC[C@H](Nc1ccccc1)C(C)C,C51401537_decoy,ADA,Decoy,0,-6.70246,-6.53,-0.43,-5.617789819157047
C#CCNC(=O)CNC(=O)Nc1ccccc1COc1ccccc1,C51618607_decoy,ADA,Decoy,0,-6.29903,-8.14,-2.29,-7.76563000380086
CC(C)[C@H](Nc1ccc(NS(C)(=O)=O)cc1)C(=O)NC(C)(C)C,C55374476_decoy,ADA,Decoy,0,-7.22724,-5.73,-2.7,-5.567264405841648
Cc1c(C(=O)Nc2ccccc2OCCC(N)=O)oc2ccccc12,C55423325_decoy,ADA,Decoy,0,-8.263,-7.74,-0.31,-7.799722557441677
CCCNC(=O)NC(C)(C)C(=O)Nc1cccc(N2CCCC2)c1,C56081664_decoy,ADA,Decoy,0,-7.65474,-7.91,-0.68,-7.215739285822347
CC(C)NC(=O)NC(=O)[C@@H](C)Nc1ccc(OC(C)C)cc1,C56173450_decoy,ADA,Decoy,0,-6.47803,-6.57,-0.47,-5.490464604101064
COC(=O)Nc1ccc(N[C@@H](C)C(=O)NCCC(C)C)cc1,C56186764_decoy,ADA,Decoy,0,-6.79615,-5.68,-1.95,-5.748450268220173
C=CCOc1cccc(NC(=O)C(C)(C)NC(=O)NCCC)c1,C56338156_decoy,ADA,Decoy,0,-7.24473,-6.5,-3.1,-6.09401428051635
CCCNC(=O)NC(C)(C)C(=O)NCc1ccc(OC(C)C)cc1,C58091916_decoy,ADA,Decoy,0,-7.30093,-5.03,-2.19,-4.946271538929172
CCCNC(=O)NC(C)(C)C(=O)NCCOc1c(C)cccc1C,C58312277_decoy,ADA,Decoy,0,-6.89915,-8.14,-1.79,-7.113578167223171
CCNC(=O)CNC(=O)Nc1ccccc1N(C)c1ccccc1,C59269116_decoy,ADA,Decoy,0,-7.0153,-7.93,-0.85,-7.72765994552929
Cc1ccc([C@H](NC(=O)CNC(=O)NCc2ccco2)C2CC2)cc1,C59834393_decoy,ADA,Decoy,0,-7.73294,-8.26,-0.2,-8.316582748284718
C[C@H](NC(=O)Nc1ccc(C(C)(C)C)cc1)C(=O)NCc1ccco1,C62369706_decoy,ADA,Decoy,0,-7.25192,-7.15,-2.11,-5.935350993309301
CC(C)(C)OC(=O)NCCNC(=O)N[C@H](c1ccccc1)C1CC1,C62650868_decoy,ADA,Decoy,0,-7.40687,-8.36,-3.58,-8.579700761430207
CC(C)(C)OC(=O)NCCNC(=O)c1cc(Cl)ccc1O,C63701550_decoy,ADA,Decoy,0,-7.50009,-6.97,-0.65,-7.250485397114863
C[C@H](Oc1ccc(-c2ccccc2)cc1)C(=O)NNC(=O)NC1CC1,C64427709_decoy,ADA,Decoy,0,-7.78202,-7.89,-0.68,-11.04762655318225
COc1ccc(C(=O)NNC(=O)NCC(C)C)cc1-c1ccccc1,C50612502_decoy,ADA,Decoy,0,-7.60699,-5.58,-1.09,-5.334279998721424
CC(C)CCNC(=O)NNC(=O)/C=C/c1ccccc1OC(F)F,C65135424_decoy,ADA,Decoy,0,-8.01856,-8.65,-2.07,-8.761380123853021
O=C(/C=C/c1ccccc1OC(F)(F)F)NNC(=O)NCC1CC1,C65192187_decoy,ADA,Decoy,0,-6.90516,-6.33,-0.99,-4.970619306513049
COCCCNC(=O)NNC(=O)/C=C/c1ccc(C(C)(C)C)cc1,C65206042_decoy,ADA,Decoy,0,-7.90524,-8.04,-0.77,-13.461823256265683
CCCCNC(=O)[C@H]1CCCN(C(=O)NCc2ccc(O)cc2)C1,C51710207_decoy,ADA,Decoy,0,-7.755,-7.27,-0.85,-10.095439263441865
CC[C@](C)(O)CNC(=O)Nc1ccc(OCC(F)(F)F)c(C#N)c1,C66159442_decoy,ADA,Decoy,0,-7.07246,-6.09,-0.42,-5.778948198059088
CC[C@@](C)(O)CNC(=O)Nc1ccccc1OC[C@H]1CCCCO1,C66160982_decoy,ADA,Decoy,0,-7.76553,-6.46,-1.31,-6.391801544644701
CC[C@H](C)NC(=O)[C@@H](C)NC(=O)C[C@@H](C)NC(=O)C1CCCCC1,C66352931_decoy,ADA,Decoy,0,-7.35912,-7.41,-0.59,-7.858154789789977
CC(C)(C)c1ccc([C@@H](C#N)NC(=O)CNC(=O)NC2CC2)cc1,C66396356_decoy,ADA,Decoy,0,-7.83458,-8.09,-2.18,-8.765569799976904
CC(C)CN(CC(N)=O)C(=O)C[C@@H](C)NC(=O)C1CCCCC1,C66609783_decoy,ADA,Decoy,0,-7.53094,-8.12,-0.84,-8.310849358408994
C[C@H](Oc1ccccc1F)C(=O)NNC(=O)NCC1(C)CCCC1,C66704932_decoy,ADA,Decoy,0,-7.27937,-8.58,-0.95,-10.854118603644071
CC(C)(C)C(=O)NCCCC(=O)NNC(=O)CC1CCCCC1,C66790337_decoy,ADA,Decoy,0,-7.16477,-6.61,-0.01,-8.199509836341035
CC(C)NC(=O)NC(=O)[C@H](C)Nc1cc(F)ccc1OC(C)C,C66966642_decoy,ADA,Decoy,0,-7.12597,-7.8,-1.88,-7.770842247172353
C[C@@H](Cc1ccco1)NC(=O)NNC(=O)CC1CCCCC1,C67045921_decoy,ADA,Decoy,0,-7.42456,-6.09,-1.59,-6.097496450432854
CC(C)CCC(=O)NNC(=O)NCCO[C@H]1CCCC[C@H]1C,C67063118_decoy,ADA,Decoy,0,-7.53897,-7.98,-0.9,-8.05668334562585
CCOCCCNC(=O)NNC(=O)c1ccc(-c2ccccc2)cc1,C67314977_decoy,ADA,Decoy,0,-7.92455,-7.73,-1.34,-7.510345815191936
COc1ccccc1C(=O)NNC(=O)NCCC1=CCCCC1,C67482494_decoy,ADA,Decoy,0,-7.7316,-6.18,-0.84,-5.656316959680069
CCCC(=O)NC(=S)NNC(=O)COc1ccc(C(C)C)cc1,C05456193_decoy,ADA,Decoy,0,-7.9799,-7.22,-0.44,-13.91403155188302
CC[C@H](C)[C@H]1Nc2ccc(C(=O)NCCCOC(C)C)cc2NC1=O,C06785612_decoy,ADA,Decoy,0,-8.03328,-6.71,-1.43,-8.229105319171813
CC[C@H](C)[C@@H]1Nc2ccc(C(=O)NCCCOC(C)C)cc2NC1=O,C06785621_decoy,ADA,Decoy,0,-8.20449,-6.4,-0.73,-6.08012698791436
Nc1nc(CSCCOc2ccccc2)nc(Nc2ccccc2)n1,C07851413_decoy,ADA,Decoy,0,-10.0013,-9.02,-0.82,-9.486016086510634
CCOC(=O)c1sc(N)c(C(=O)Nc2ccc(OCC)cc2)c1C,C08324234_decoy,ADA,Decoy,0,-8.50885,-5.71,-0.46,-7.538675827678624
CCc1nc(N)sc1C(=O)N/N=C/c1ccccc1OCC(C)C,C08654114_decoy,ADA,Decoy,0,-10.8957,-6.75,-0.38,-9.418104394463649
CCOc1ccccc1NC(=O)[C@H](NC(=O)Nc1ccccc1)C(C)C,C08938650_decoy,ADA,Decoy,0,-6.54917,-6.15,-2.23,-4.95298192337076
CCCCC(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C,C13985826_decoy,ADA,Decoy,0,-8.30424,-7.44,-1.33,-10.5440875256958
Cc1cc(Cl)ccc1OCC(=O)NNC(=S)NC(=O)C(C)(C)C,C13988338_decoy,ADA,Decoy,0,-9.44009,-8.2,-2.19,-9.915757294966408
CCNC(=S)/N=C(\NCCc1ccccc1)Nc1nc(C)cc(C)n1,C14156986_decoy,ADA,Decoy,0,-8.00452,-7.66,-1.85,-7.707316027862989
CCCNC(=S)NNC(=O)c1ccc2noc(-c3ccccc3)c2c1,C14937983_decoy,ADA,Decoy,0,-8.37994,-7.94,-0.13,-8.344699885601974
CCCCOc1ccccc1[C@@H]1C(C#N)=C(N)Oc2[nH]nc(CCC)c21,C09042123_decoy,ADA,Decoy,0,-9.13887,-8.41,-1.88,-13.36434545168204
CCc1ccc(C(=O)[C@H](C)OC(=O)c2ccc(CNC(N)=O)cc2)cc1,C25679622_decoy,ADA,Decoy,0,-8.91312,-9.05,-0.71,-9.819835009732282
CCC[C@H](C)NC(=O)[C@@H](C)Nc1ccc(NC(=O)c2ccco2)cc1,C26990589_decoy,ADA,Decoy,0,-7.2318,-6.31,-1.91,-5.651608221734353
CCNC(=O)NC[C@@H]1C=C(C)[C@H](CC(=O)NCCOC)C[C@H]1C(C)C,C30880509_decoy,ADA,Decoy,0,-8.09048,-7.53,-0.28,-7.166096351814694
Nn1c(SCC(=O)NCCC2=CCCCC2)nnc1-c1ccccc1,C07016051_decoy,ADA,Decoy,0,-8.4618,-7.8,-0.92,-8.351453665272228
CC(C)c1ccc(CNC(=O)c2nc[nH]c2C(=O)NCC(C)(C)C)cc1,C33327590_decoy,ADA,Decoy,0,-7.9343,-8.25,-0.83,-7.910754176028786
CC(C)[C@@H](C)NC(=O)CSc1nnc(CCC2CCCCC2)n1N,C32946465_decoy,ADA,Decoy,0,-10.176,-8.04,-1.31,-9.419727551775898
C=CCN(CC=C)C(=O)[C@@H](C)Nc1ccc(NC(=O)NC2CC2)cc1,C42667617_decoy,ADA,Decoy,0,-7.85526,-6.84,-1.18,-6.829729015512781
COc1ccccc1C(=O)N[C@H](C(=O)NNc1ccc(F)cc1)C(C)C,C45970273_decoy,ADA,Decoy,0,-7.35689,-6.36,-3.8,-5.41940470492111
C=C(C)CN(CC)C(=O)N[C@@H](C)c1ccc(NC(=O)NC2CC2)cc1,C47129123_decoy,ADA,Decoy,0,-7.51379,-8.37,-0.59,-7.758378807546305
CC(C)(C)c1ccc(O)c(NC(=O)CCNC(=O)/C=C/c2ccco2)c1,C47430575_decoy,ADA,Decoy,0,-8.8685,-8.53,-0.78,-8.225871663097768
CC(C)COc1ccccc1NC(=O)NCCNC(=O)c1ccccc1,C48117969_decoy,ADA,Decoy,0,-7.55768,-8.38,-0.7,-11.0928388776499
CCCCC(O)(CCCC)C(=O)N/N=C1\C(=O)Nc2ccccc21,C05244417_decoy,ADA,Decoy,0,-7.39116,-8.31,-0.81,-8.393460983559075
CCOc1cc(F)ccc1N[C@@H](C)C(=O)Nc1cccc(NC(C)=O)c1,C55152720_decoy,ADA,Decoy,0,-7.15109,-6.33,-1.01,-5.377253584060229
CCOc1cc(F)ccc1N[C@@H](C)C(=O)Nc1cccc(C(=O)NC)c1,C55152728_decoy,ADA,Decoy,0,-6.98531,-7.79,-1.75,-7.24693356634922
CCCOc1cc(C)ccc1N[C@H](C)C(=O)NC(=O)NC(C)C,C55154114_decoy,ADA,Decoy,0,-7.27979,-7.09,-1.95,-7.031016395456957
CCCNC(=O)c1cccc(NCC(=O)NC2(C#N)CCCCCC2)c1,C55852396_decoy,ADA,Decoy,0,-8.33671,-8.38,-0.44,-10.79330749418568
CCOC(=O)Nc1ccc(N[C@H](C)C(=O)NC(C)(C)CC)cc1,C56158374_decoy,ADA,Decoy,0,-7.17656,-7.35,-1.21,-7.273843352085891
COC(=O)Nc1ccc(N[C@@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1,C56187206_decoy,ADA,Decoy,0,-6.98362,-8.39,-4.1,-8.285672363467226
CCS(=O)(=O)Nc1ccc(N[C@H](C(=O)NC(C)(C)C)C(C)C)cc1,C56198927_decoy,ADA,Decoy,0,-7.80648,-6.93,-2.73,-6.664487777067292
CCOc1ccc(N[C@H](C)C(=O)Nc2cccc(NC(C)=O)c2)cc1F,C56205617_decoy,ADA,Decoy,0,-7.65416,-6.77,-1.75,-6.018494141767396
CCOC(=O)c1c(C)[nH]c(/C=N/NC(=S)NCc2ccccc2)c1C,C08083832_decoy,ADA,Decoy,0,-8.82196,-7.58,-0.75,-8.35830112021826
Nc1nnc(CCCNC(=O)c2ccccc2Oc2ccccc2)s1,C20201605_decoy,ADA,Decoy,0,-10.602,-7.62,-0.94,-8.91575822259823
Cc1cc(C)nc(N/C(=N/C(=S)NC2CC2)NC2CCCCC2)n1,C14156472_decoy,ADA,Decoy,0,-7.77999,-6.82,-1.73,-7.491473737214298
C/C(=N\Nc1nc(SCCCO)n[nH]1)C12CC3CC(CC(C3)C1)C2,C59879812_decoy,ADA,Decoy,0,-10.2608,-8.62,-1.19,-12.411455035178308
CCOc1ccc(N[C@H](C)C(=O)NC(=O)NCC(F)(F)F)cc1C,C63638117_decoy,ADA,Decoy,0,-6.98351,-7.87,-1.21,-9.553272285241968
CC(C)CCNC(=O)NNC(=O)COc1ccc(Cl)cc1Cl,C65143963_decoy,ADA,Decoy,0,-7.85328,-7.67,-0.76,-8.26857016872271
C[C@@H](CC(=O)NCC(=O)Nc1ccccc1)NC(=O)C1CCCCC1,C66329507_decoy,ADA,Decoy,0,-7.84009,-9.19,-1.62,-10.317276497729308
C[C@H](CC(=O)NCCNC(=O)C1CCCC1)NC(=O)C1CCCCC1,C66358155_decoy,ADA,Decoy,0,-7.7275,-8.93,-0.6,-10.672777873258688
CC(C)C[C@](C)(C#N)NC(=O)CNC(=O)NCc1ccc(Cl)cc1,C66645235_decoy,ADA,Decoy,0,-7.89031,-6.69,-0.77,-6.282967285816308
CCOCC(=O)NNC(=O)NCC(CC)(CC)c1ccc(Cl)cc1,C66702829_decoy,ADA,Decoy,0,-7.85325,-6.96,-1.44,-8.546616058042266
COc1ccccc1[C@H](C)NC(=O)NNC(=O)CCC1CCCCC1,C67037553_decoy,ADA,Decoy,0,-8.27555,-9.32,-1.71,-9.220245617144004
CCCOc1ccc(CNC(=O)NNC(=O)CC2CCCCC2)cc1,C67062401_decoy,ADA,Decoy,0,-8.2116,-8.52,-0.35,-8.777104216850825
O=C(CC1CCCCC1)NNC(=O)NCCCOc1ccccc1F,C67063301_decoy,ADA,Decoy,0,-7.71352,-8.26,-1.62,-8.67369942681744
CC(C)CCC(=O)NNC(=O)NCc1ccc(OC2CCCC2)cc1,C67080723_decoy,ADA,Decoy,0,-7.78715,-8.94,-0.75,-10.5440669682585
CCNC(=O)[C@@H](C)NC(=O)Nc1ccc(O[C@@H](C)CC(C)C)c(C)c1,C67285989_decoy,ADA,Decoy,0,-7.47036,-6.21,-2.17,-5.82035681534635
CCNC(=O)[C@@H](C)NC(=O)Nc1ccc(O[C@H](C)CC(C)C)c(C)c1,C67285995_decoy,ADA,Decoy,0,-7.65273,-6.75,-0.77,-6.270546996537421
CCOCCCNC(=O)NNC(=O)c1ccc(C2CCCCC2)cc1,C67313549_decoy,ADA,Decoy,0,-7.94556,-7.63,-2.22,-7.65097448307906
Cc1nn(C)c(C)c1[C@@H](C)NC(=O)NC[C@@H](Nc1ccccc1)C(C)C,C67535189_decoy,ADA,Decoy,0,-7.61851,-6.99,-2.4,-6.315968748550512
Cc1ccsc1C(=O)O[C@H](C)C(=O)Nc1sccc1C(N)=O,C08878447_decoy,ADA,Decoy,0,-8.10963,-7.08,-0.16,-7.722668289678338
C[C@H](OC(=O)c1ccc2c(c1)CCC2)C(=O)Nc1sccc1C(N)=O,C09497807_decoy,ADA,Decoy,0,-8.63094,-9.03,-0.31,-9.092198527265174
NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2OC(F)F)cc1,C09872477_decoy,ADA,Decoy,0,-7.36568,-8.13,-1.15,-8.061117760093952
CCc1cc(C(=O)N/N=C(\C)c2ccc(OCC(N)=O)cc2)cs1,C13321844_decoy,ADA,Decoy,0,-9.14418,-8.23,-0.71,-8.40794955100129
COCCNC(=O)C(=O)Nc1c(-c2ccccc2)[nH]c2ccccc12,C13626633_decoy,ADA,Decoy,0,-7.49364,-6.49,-0.8,-5.821820932267549
O=C(NNC(=S)NC[C@H]1CCCO1)[C@H]1Cc2cc(Cl)ccc2O1,C15707300_decoy,ADA,Decoy,0,-9.3332,-6.95,-0.35,-8.118483402999027
C[C@H]1CCc2c(sc(NC(=O)C[NH+](C)CCO)c2C(=O)[O-])C1,C20342313_decoy,ADA,Decoy,0,-7.46557,-7.62,-0.68,-7.624337116213834
CC(C)C(=O)NC(=S)Nc1ccc(NC(=O)c2ccco2)cc1,C21596320_decoy,ADA,Decoy,0,-7.72638,-7.55,-0.71,-7.330187907067708
Cc1cc(C)n(CC(=O)NNC(=S)N[C@@H]2CCC[C@H](C)[C@H]2C)n1,C31543963_decoy,ADA,Decoy,0,-8.13458,-8.42,-0.79,-8.207322339616427
CCNC(=O)N(Cc1cc(N)ccc1N(C)C)C[C@H]1CCCO1,C06723684_decoy,ADA,Decoy,0,-6.97281,-5.21,-1.25,-4.914840473915034
CCc1cc(S(N)(=O)=O)cc(CC)c1NS(=O)(=O)C(C)C,C37657634_decoy,ADA,Decoy,0,-8.70947,-6.76,-1.22,-8.60641974529302
COc1ccc(C(=O)NNC(=S)NC(=O)c2cccs2)cc1,C02316450_decoy,ADA,Decoy,0,-8.64387,-6.25,-0.62,-5.820294023317341
CCOc1ccc([C@@H](CC=O)NC=O)c(O)c1-c1ccccc1O,C39496571_decoy,ADA,Decoy,0,-8.2927,-6.59,-0.51,-6.510114857066171
CCC(CC)(NS(=O)(=O)c1cccc2nsnc12)C(N)=S,C40364775_decoy,ADA,Decoy,0,-8.39514,-6.2,-0.66,-7.041368679104024
CCNC(=O)CN(CC)S(=O)(=O)c1c(Cl)cc(N)cc1Cl,C40451966_decoy,ADA,Decoy,0,-7.17377,-5.21,-1.79,-4.977432581447896
O=C(CC[C@@H]1NC(=O)NC1=O)N[C@H](c1ccccc1)c1cccs1,C40476608_decoy,ADA,Decoy,0,-8.01347,-8.74,-0.74,-8.453776170843145
Cc1cc(S(N)(=O)=O)c(C)cc1OCCNC(=O)c1cccs1,C41119544_decoy,ADA,Decoy,0,-8.3077,-7.46,-0.43,-7.509878630989747
CC(C)CNC(=O)NCc1ccc(S(=O)(=O)NC2CC2)cc1,C42946636_decoy,ADA,Decoy,0,-8.13225,-5.45,-1.67,-5.088662388323545
NS(=O)(=O)c1ccc(CCNC(=O)OCC(F)(F)F)cc1,C44892639_decoy,ADA,Decoy,0,-7.71396,-6.95,-1.75,-7.837069946898391
C=CCNC(=S)NNC(=O)c1nc(-c2cccs2)oc1C,C46572667_decoy,ADA,Decoy,0,-9.16521,-6.51,-0.53,-6.378816978129724
C[NH2+]CCCNS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl,C48838827_decoy,ADA,Decoy,0,-7.40711,-5.76,-2.83,-6.929886666706766
COc1ccc(/C=C/C(=O)N[C@H](C)C(=O)NC2CCC(O)CC2)cc1,C49909049_decoy,ADA,Decoy,0,-8.76037,-7.37,-0.64,-6.21933202951396
Nc1nc(Cl)cc(NCc2ccc(OCC(F)(F)F)nc2)n1,C52103684_decoy,ADA,Decoy,0,-8.98788,-7.21,-0.45,-7.382059577607669
C[C@@H]1CCCC[C@@H]1OCCNC(=O)CSc1nnc(N)s1,C53340911_decoy,ADA,Decoy,0,-10.489,-7.1,-0.81,-8.62735242058242
CCC(NCCCOC1CCCCC1)=C1C(=O)NC(=S)NC1=O,C54505988_decoy,ADA,Decoy,0,-8.84416,-7.31,-0.38,-9.467719370076212
O=C(CNC(=O)C1CC1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1,C58224965_decoy,ADA,Decoy,0,-7.91737,-7.34,-0.78,-6.94011925211747
C[C@@H](CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1)c1ccccc1,C15328652_decoy,ADA,Decoy,0,-9.70996,-9.18,-0.78,-9.949897528299294
CCC(CC)C(=O)Nc1ccc(C(=O)N2CCC(C(N)=O)CC2)cc1,C59330387_decoy,ADA,Decoy,0,-8.48023,-7.96,-0.99,-7.73064659972013
CC[NH2+]C(C)(C)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1,C61292560_decoy,ADA,Decoy,0,-6.75711,-6.8,-0.69,-6.270278180209389
CCNC(=O)CNC(=O)C(=O)Nc1cc(C(F)(F)F)ccc1Cl,C61924515_decoy,ADA,Decoy,0,-6.57062,-6.71,-0.75,-5.804132423178598
COCCNc1c(-c2ccc(F)cc2)nc2sc(C(N)=O)c(C)n12,C64761281_decoy,ADA,Decoy,0,-8.36675,-8.02,0.18,-8.970163138206711
CC(=O)Nc1ccc(F)c(NC(=O)N[C@H](C)COCC(F)(F)F)c1,C65360621_decoy,ADA,Decoy,0,-6.33801,-6.89,-2.19,-5.344744518103276
Cc1ccc([C@@H](C)NC(=O)NCCNC(=O)c2ccco2)s1,C54729755_decoy,ADA,Decoy,0,-7.24932,-7.63,-0.6,-9.64488739275112
CSc1ccccc1NC(=O)N[C@H](C)C(=O)NCc1ccco1,C65607663_decoy,ADA,Decoy,0,-7.62412,-7.67,-1.13,-7.576939771147689
Cc1[nH]c2ccc(CNC(=O)NCCCn3ccccc3=O)cc2c1C,C65696344_decoy,ADA,Decoy,0,-7.60391,-9.42,-0.81,-13.985194940528071
Cc1ccc(C(=O)N[C@@H](C(=O)NCC(=O)NC2CC2)C(C)C)cc1,C66067327_decoy,ADA,Decoy,0,-7.19639,-7.85,-1.37,-7.727540306673697
CC(C)NC(=O)CNc1ccc(C(=O)NC[C@H]2CCCO2)cc1,C66089539_decoy,ADA,Decoy,0,-7.36425,-6.55,-1.46,-6.329396378178511
COCc1ccc(CNC(=O)N2CCC[C@@H](CCC(N)=O)C2)cc1,C66120092_decoy,ADA,Decoy,0,-7.74555,-8.27,-0.37,-13.33348858226784
CC(C)NC(=O)CNC(=O)NCCCc1nc2c(s1)CCCC2,C66140789_decoy,ADA,Decoy,0,-7.64943,-7.41,-0.93,-6.446480463202759
C#CCNC(=O)c1ccccc1NC(=O)CCNC(=O)C1CCCC1,C66289327_decoy,ADA,Decoy,0,-7.72984,-7.16,-1.17,-6.977470883902368
CCCNC(=S)NNC(=O)[C@@H]1CCCN(C(=O)c2ccccc2)C1,C66653332_decoy,ADA,Decoy,0,-8.12613,-8.04,-0.64,-8.443884942133092
Cc1ncsc1CN(C)C(=O)Nc1ccccc1SCC(N)=O,C66667898_decoy,ADA,Decoy,0,-10.4481,-7.67,-1.29,-9.90279269400679
C[C@@H](NC(=O)CNC(=O)/C=C/c1ccccc1)C(=O)NC(C)(C)C,C66923129_decoy,ADA,Decoy,0,-7.2917,-8.14,-1.69,-7.371336520457835
CCN(CC)c1ccc(CNC(=O)N2CC[C@H](C(N)=O)C2)cc1F,C66927050_decoy,ADA,Decoy,0,-7.62846,-6.6,-0.63,-6.506756978006369
C[C@H](NC(=O)CNC(=O)c1ccc2c(c1)CCC2)C(=O)NC1CCCC1,C67156574_decoy,ADA,Decoy,0,-8.23823,-9.35,-0.5,-9.15189942145348
COc1ccc(NC(=S)NNC(=O)c2sccc2C#N)cc1F,C67195620_decoy,ADA,Decoy,0,-10.8095,-6.64,-1.33,-6.805737074814656
CCOCCCNC(=O)NNC(=O)[C@H]1CCCc2ccccc21,C67311498_decoy,ADA,Decoy,0,-7.76389,-7.78,-1.98,-8.41979326916076
CC(C)c1ccccc1NC(=O)C(=O)NCCC(=O)NC1CCCC1,C67378783_decoy,ADA,Decoy,0,-7.70528,-6.69,-1.36,-7.716354513289128
CC[C@H](NC(=O)C(=O)Nc1ccc(NC(=O)C2CC2)cc1)C(C)C,C67455634_decoy,ADA,Decoy,0,-8.09557,-7.47,-0.83,-7.249092848506099
Cc1cccc(C)c1OC[C@H](O)CNC(=O)N[C@H]1CCCc2occc21,C67602958_decoy,ADA,Decoy,0,-7.79771,-9.69,-0.77,-13.596264132235351
COC(=O)[C@@H](CC(C)C)NC(=O)CSc1nnc(N)s1,C02486805_decoy,ADA,Decoy,0,-10.5796,-4.65,-0.48,-5.976308930001256
CCOC(=O)c1c(NC(=O)c2ccc(C)o2)sc(C(N)=O)c1C,C05473819_decoy,ADA,Decoy,0,-7.50256,-6.27,-0.57,-6.226582573162095
NS(=O)(=O)c1ccc(NC(=O)COC(=O)[C@H]2CC=CCC2)cc1,C06291054_decoy,ADA,Decoy,0,-8.62134,-8.19,-0.73,-7.119236785925891
C[C@H](OC(=O)CC(C)(C)C)C(=O)Nc1ccc(S(N)(=O)=O)cc1,C06353172_decoy,ADA,Decoy,0,-8.03922,-6.54,-0.32,-6.262913087554128
CC[C@@H](NNC(=O)c1ccc(F)cc1)C(=O)Nc1cc(C)on1,C09049776_decoy,ADA,Decoy,0,-6.33969,-8.22,-3.35,-7.323798911727443
CCCc1nnc(SCC(=O)NNC(=O)c2ccc(F)cc2)[nH]1,C11807797_decoy,ADA,Decoy,0,-7.31786,-7.5,-0.64,-9.677585725949582
CCOc1cc(/C=N/NC(N)=O)c(Br)cc1OCC#N,C13747633_decoy,ADA,Decoy,0,-7.64651,-6.79,-0.93,-6.65604367355088
CCOC(=O)NNC(=O)c1ccc(NC(=O)c2cccs2)cc1,C21771956_decoy,ADA,Decoy,0,-8.69027,-6.78,-1.0,-6.672957868291991
CCCCn1nc(C(=O)NNC(=S)NC2CCCC2)ccc1=O,C27250528_decoy,ADA,Decoy,0,-8.10748,-7.75,-1.67,-7.9403271603301295
CCc1nnc(NC(=O)CCNC(=O)NC2CCCCC2)s1,C25444480_decoy,ADA,Decoy,0,-7.75519,-6.39,-1.65,-6.827305587910679
C=CCn1c(S[C@@H](C)C(=O)NC(N)=O)nnc1C1CCCCC1,C02620448_decoy,ADA,Decoy,0,-8.32262,-7.25,-1.01,-7.884942789523297
O=C(NNC(=S)Nc1ccccc1)c1ccccc1[N+](=O)[O-],C13545069_decoy,ADA,Decoy,0,-7.17933,-6.5,-0.24,-5.783636953011267
COc1ccc(C(=O)NC(=S)NNC(=O)c2ccco2)cc1,C02316377_decoy,ADA,Decoy,0,-7.5348,-6.93,-0.32,-8.212177844689727
C/C(=C\C(=O)Nc1ccc(N(C)C)cc1)NNC(=O)c1ccccn1,C04124009_decoy,ADA,Decoy,0,-8.17265,-6.72,-1.12,-6.44906423053647
CC(C)Nc1ccc(C(=O)NNc2nccc(C(F)(F)F)n2)cn1,C38737996_decoy,ADA,Decoy,0,-6.56674,-7.27,-2.63,-6.4334212751475714
CCCn1c(N)c(NC(=O)[C@@H]2C[C@@H]3C=C[C@H]2C3)c(=O)n(CCC)c1=O,C39051843_decoy,ADA,Decoy,0,-7.73434,-6.49,-1.18,-5.597095595961412
CNC(=O)c1ccc(NC(=S)Nc2cccc([N+](=O)[O-])c2)cc1,C39968698_decoy,ADA,Decoy,0,-7.56613,-8.02,-1.82,-8.259732787937615
N#CCCN(CCC#N)c1ncnc(Nc2ccc(Cl)cc2)c1N,C40737136_decoy,ADA,Decoy,0,-8.61937,-6.47,-0.42,-6.481876923385874
CC(C)[C@@H](Sc1ncc(C#N)c(N)n1)C(=O)NC[C@@H]1CCCO1,C43025579_decoy,ADA,Decoy,0,-9.12109,-6.27,0.2,-8.667594344584984
COc1ccccc1N[C@@H](C)C(=O)NC(=O)NC[C@@H]1CCCO1,C43592989_decoy,ADA,Decoy,0,-7.28346,-7.46,-0.66,-7.963232566923958
CC(C)CNC(=O)CNC(=O)Nc1nnc(CC(C)C)s1,C50050388_decoy,ADA,Decoy,0,-7.49148,-7.79,-0.98,-7.835113282575148
CC(C)OCCCNC(=O)C[C@@H]1NC(=O)c2ccccc2NC1=O,C32124067_decoy,ADA,Decoy,0,-7.07286,-7.87,-1.4,-7.59557951365009
CCCNC(=O)CCNC(=O)N1CCC[C@H](C(=O)NCCC)C1,C51279561_decoy,ADA,Decoy,0,-7.30572,-7.13,-1.85,-12.747889885676203
CN(Cc1nc(N)nc(Nc2ccccc2)n1)Cc1ccco1,C12549256_decoy,ADA,Decoy,0,-7.54816,-9.04,0.08,-8.030609387644347
CC(C)(C)c1nnc(NC(=O)NCCNC(=O)C2CC2)s1,C56737792_decoy,ADA,Decoy,0,-7.45112,-5.27,-0.42,-4.760817140237074
C[C@H]1CCCC[C@H]1OCCNC(=O)CNC(=O)NCc1ccco1,C58307597_decoy,ADA,Decoy,0,-7.61404,-5.59,-0.33,-5.109640454932405
COc1ccccc1OCCNC(=O)NNC(=O)c1ccccc1,C45128040_decoy,ADA,Decoy,0,-7.41227,-6.18,-0.85,-5.60627028596751
O=C(CSc1n[nH]c(N/N=C/C=C/c2ccccc2)n1)NC1CC1,C59016298_decoy,ADA,Decoy,0,-10.1089,-8.83,-0.29,-13.8721939622063
CNC(=S)/N=C(\NC[C@H]1CCCO1)Nc1nc(C)cc(C)n1,C14157561_decoy,ADA,Decoy,0,-7.76065,-6.95,-1.38,-7.845306205370068
C/C(=N\Nc1nc(S[C@@H](C)C(=O)NC2CC2)n[nH]1)c1ccccc1,C59819518_decoy,ADA,Decoy,0,-8.90298,-7.35,-0.03,-8.33921142492064
C=CCOc1ccc(C(=O)NNC(=O)NCC(F)(F)F)cc1OC,C60415379_decoy,ADA,Decoy,0,-6.32487,-7.55,-1.82,-6.887188279736878
COCCOc1ccc(N[C@H](C)C(=O)NC(=O)NC2CC2)cc1F,C62238988_decoy,ADA,Decoy,0,-7.43442,-7.59,-0.77,-12.757266753341552
O=C(CNC(=O)NC1CCCCC1)NCCCCN1CCOCC1,C62261326_decoy,ADA,Decoy,0,-8.26753,-7.75,-0.7,-7.6640579634068144
CC(C)(C)OC(=O)NCCNC(=O)CNC(=O)c1ccccc1,C63701574_decoy,ADA,Decoy,0,-6.86957,-7.24,-0.47,-7.810689975233624
NC(=O)COc1ccc(NC(=O)c2csc(-c3ccco3)n2)cc1,C29014927_decoy,ADA,Decoy,0,-8.62968,-7.03,-0.58,-6.885352102461921
CC(C)(C)OC(=O)NNC(=O)N[C@@H]1CCN(CC(F)(F)F)C1,C64253687_decoy,ADA,Decoy,0,-6.07331,-6.62,-0.77,-8.603367181518148
CCS(=O)(=O)NCCNC(=O)Nc1ccc2c(c1)CCCN2C,C64562524_decoy,ADA,Decoy,0,-8.05357,-8.22,-0.53,-7.999805334406285
CCCCNC(=O)NNC(=O)[C@@H]1CCCN1C(=O)C(C)(C)C,C64883287_decoy,ADA,Decoy,0,-7.34705,-5.44,-1.11,-5.599065667717816
COCCNC(=O)NNC(=O)COc1c(C)cc(C)cc1C,C64887252_decoy,ADA,Decoy,0,-7.10009,-7.66,-1.43,-11.12052165957598
COCCNC(=O)NNC(=O)c1sc(-c2ccsc2)nc1C,C64899745_decoy,ADA,Decoy,0,-9.18355,-6.2,-0.6,-6.33406564066858
CCOc1cc(/C=C/C(=O)NNC(=O)NCC2CC2)ccc1OC,C65193522_decoy,ADA,Decoy,0,-8.44235,-7.95,-1.64,-7.66856766359646
O=C(CNC(=O)c1ccc(OCC2CC2)cc1)Nc1cn[nH]c1,C51412765_decoy,ADA,Decoy,0,-7.63845,-7.18,-0.66,-7.168617378849796
CCC(CC)[C@@H](CNC(=O)N1CC[C@@H](C(N)=O)C1)N1CCOCC1,C45526385_decoy,ADA,Decoy,0,-7.18577,-6.32,-0.72,-7.385666833270498
CCn1nc(C)c(CNC(=O)CNC(=O)NCC2CCCC2)c1C,C66733388_decoy,ADA,Decoy,0,-7.89318,-7.9,-0.52,-11.433294367754346
CCNC(=O)NC(=O)CN1CCC(NC(=O)CC2CCCC2)CC1,C66878158_decoy,ADA,Decoy,0,-8.05435,-7.28,-0.46,-8.1092965123912
Cc1cccc(C(=O)NNC(=O)NCCCOCc2ccco2)c1,C67061762_decoy,ADA,Decoy,0,-6.54129,-8.35,-1.16,-7.467709878066684
CC(C)CCC(=O)NNC(=O)N1CCC(NC(=O)C2CCC2)CC1,C67103911_decoy,ADA,Decoy,0,-8.12222,-7.29,-0.63,-9.156268998494417
CC(=O)Nc1cc(NC(=O)CNC(=O)OC(C)(C)C)ccc1F,C67143500_decoy,ADA,Decoy,0,-7.05243,-6.05,-0.62,-5.184097619770389
C[C@@H](CC(=O)N1CCN(CC(N)=O)CC1)NC(=O)C1CCCCC1,C67190658_decoy,ADA,Decoy,0,-9.08556,-7.98,-0.62,-7.486565821145932
CC(C)(C)OC(=O)NCCNC(=O)C(=O)Nc1ccc(Cl)cc1,C67339855_decoy,ADA,Decoy,0,-7.23729,-7.71,-0.36,-8.071466212479857
C[C@@H]1CN(C(=[NH2+])NS(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)C[C@@H](C)O1,C01048893_decoy,ADA,Decoy,0,-8.22415,-8.68,-1.56,-8.032161710324383
O=C1[C@H]2[C@@H](C(=O)N1CCc1ccccc1)[C@]1([NH2+][C@@H]2Cc2ccccc2)C(=O)Nc2ccccc21,C08790005_decoy,ADA,Decoy,0,-8.16943,-6.35,-2.75,-5.44450722573877
O=C(NC[C@@H](c1ccsc1)[NH+]1CCCC1)C(=O)Nc1ccc(OC(F)(F)F)cc1,C08864272_decoy,ADA,Decoy,0,-8.57233,-8.65,-2.91,-12.288780556307168
CN(C)c1ccc([C@H](CNC(=O)C(=O)NC2CCCC2)[NH+]2CCc3ccccc3C2)cc1,C10188451_decoy,ADA,Decoy,0,-9.79652,-8.13,-0.87,-8.851161341155345
CC(C)[NH+]1CCC(NC(=O)c2cccc(NS(=O)(=O)c3ccc(Br)cc3)c2)CC1,C12755794_decoy,ADA,Decoy,0,-10.1417,-8.17,-2.51,-8.34698821187185
COc1ccc([C@@H](CNC(=O)c2ccc3c(c2)NC(=O)CCS3)[NH+]2CCCCC2)cc1,C14183862_decoy,ADA,Decoy,0,-10.4069,-8.07,-0.55,-7.940891141333298
O=C(NC[C@@H]1CCCO1)c1cc2cc(C3(O)CC[NH+](Cc4cc(F)ccc4F)CC3)ccc2o1,C14996255_decoy,ADA,Decoy,0,-10.405,-9.11,-1.7,-7.750632026006403
C[C@@H]1CC(=O)Nc2cc(S(=O)(=O)NCC[NH+]3CCc4ccccc4C3)ccc2S1,C15730956_decoy,ADA,Decoy,0,-10.5777,-10.17,-0.52,-17.652487370766046
Cc1cccc(C2(O)CC[NH+](C[C@@H](O)c3ccc4c(c3)C[C@H](C)N4S(C)(=O)=O)CC2)c1,C19234501_decoy,ADA,Decoy,0,-10.8143,-10.07,-1.36,-8.708303778035312
S=C(NC[C@H]1C[C@@H]2CC[NH+]1C[C@@H]2CN1CCSCC1)Nc1ccc(-n2cccn2)cc1,C20503879_decoy,ADA,Decoy,0,-11.0321,-7.31,-0.49,-7.514205132721773
O=c1oc2c(C[NH2+]CCCN3CCOCC3)c(O)ccc2cc1-c1cc(F)cc(F)c1,C13730929_decoy,ADA,Decoy,0,-8.91912,-10.23,-1.47,-9.07970540369606
CN1CCc2cc([C@H](CNC(=O)C(=O)Nc3cccc(Cl)c3)[NH+]3CCCCC3)ccc21,C23858013_decoy,ADA,Decoy,0,-9.36223,-10.01,-0.35,-9.012040150366255
NC(=O)[C@@H](c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)CC1,C24874869_decoy,ADA,Decoy,0,-9.39614,-7.52,-0.68,-6.646729817538945
C[NH+](C)Cc1ccc(-c2ccccc2CNC(=O)c2ccc(NS(C)(=O)=O)cc2)cc1,C31079353_decoy,ADA,Decoy,0,-9.6265,-7.21,-0.71,-7.740853049980405
CN(C)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1C(=O)NCCC[NH+](C)C,C35210022_decoy,ADA,Decoy,0,-9.31583,-7.18,-0.87,-8.284708019245969
O=c1[nH]c(C[NH+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)nc2sc3c(c12)CCC3,C36158866_decoy,ADA,Decoy,0,-9.67587,-7.06,-2.26,-7.186231750081112
O=C(NC[C@H]1CCCO1)c1ccccc1NC(=O)[C@@H]1CCC[NH+](Cc2ccc(Cl)cc2)C1,C38870003_decoy,ADA,Decoy,0,-9.95282,-9.28,-1.38,-8.986946126724515
Cc1c[nH+]c(CN(C)C(=O)CC[C@@]2(Cc3ccc(-c4ccccc4)cc3)CCC(=O)N2)[nH]1,C12151289_decoy,ADA,Decoy,0,-9.97574,-9.62,-1.79,-8.870789892871137
Cc1ccc(C(=O)N2C[C@@H](C(=O)NC[C@@H](C)Oc3ccc(F)cc3)C3(CC[NH2+]CC3)C2)c(F)c1F,C39596101_decoy,ADA,Decoy,0,-9.60434,-10.56,-1.05,-10.225479070661711
CC[C@@H](C)CC(=O)N1C[C@H](C(=O)NC[C@@H](C)Oc2ccc(F)cc2)C2(CC[NH2+]CC2)C1,C39596471_decoy,ADA,Decoy,0,-9.06339,-8.55,-0.78,-14.891187091188618
C[C@H](Oc1ccccc1)C(=O)N1C[C@@H](C(=O)N[C@@H](C)c2ccccc2)C2(CC[NH2+]CC2)C1,C39596811_decoy,ADA,Decoy,0,-8.96074,-8.86,-2.12,-9.913051369940922
CC(C)CCNC(=O)[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CC12CC[NH2+]CC2,C39601102_decoy,ADA,Decoy,0,-8.07392,-9.62,-2.31,-12.849444833675497
CCOc1ccc(C(=O)N2C[C@H](C(=O)NCc3ccc(F)c(Cl)c3)C3(CC[NH2+]CC3)C2)cc1,C39610481_decoy,ADA,Decoy,0,-10.0077,-7.59,-0.56,-7.464497199738377
Cc1ccc(CNC(=O)[C@@H]2CN(C(=O)c3cccc4c3-c3ccccc3C4=O)CC23CC[NH2+]CC3)cc1,C39634245_decoy,ADA,Decoy,0,-8.2924,-8.07,-0.85,-7.638126125942281
Cc1ccc(CNC(=O)[C@H]2CN(C(=O)c3cccc4c3-c3ccccc3C4=O)CC23CC[NH2+]CC3)cc1,C39634246_decoy,ADA,Decoy,0,-9.54592,-9.29,-0.61,-9.401650247676338
CC[C@H](COC)NC(=O)[C@H]1CN(C(=O)c2cc(Cl)cc(Cl)c2)CC12CC[NH2+]CC2,C39637934_decoy,ADA,Decoy,0,-9.29232,-8.24,-0.18,-9.360269963708712
C[C@@H](Oc1ccccc1)C(=O)N1C[C@H](C(=O)NCCc2cccs2)C2(CC[NH2+]CC2)C1,C39657432_decoy,ADA,Decoy,0,-10.4007,-9.13,-1.06,-10.175445210393312
N#C[C@@H](NC(=O)[C@H]1CN(C(=O)c2c(Cl)cccc2Cl)CC12CC[NH2+]CC2)c1ccccc1,C39662232_decoy,ADA,Decoy,0,-10.3523,-5.85,-1.12,-6.252050650620599
N#C[C@@H](NC(=O)[C@H]1CN(C(=O)Cc2ccc(Cl)cc2)CC12CC[NH2+]CC2)c1ccccc1,C39662364_decoy,ADA,Decoy,0,-9.06525,-9.41,-0.54,-10.99953260302632
CCc1ccc(C(=O)N2C[C@@H](C(=O)NC[C@H](C)Oc3ccc(C)cc3)C3(CC[NH2+]CC3)C2)cc1,C39665991_decoy,ADA,Decoy,0,-9.81323,-10.24,-0.63,-9.543621797639284
CC[C@H](C)CC(=O)N1C[C@@H](C(=O)NC[C@@H](C)Oc2ccc(C)cc2)C2(CC[NH2+]CC2)C1,C39666255_decoy,ADA,Decoy,0,-8.40766,-9.49,-0.47,-8.666301401239291
O=C(NC[C@@H]1OCCc2ccccc21)[C@@H]1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2,C39668929_decoy,ADA,Decoy,0,-10.4237,-8.01,-0.71,-7.707169760958858
O=C(NC[C@H]1OCCc2ccccc21)[C@H]1CN(C(=O)CCC2CCCC2)CC12CC[NH2+]CC2,C39668930_decoy,ADA,Decoy,0,-10.5847,-10.62,-0.47,-10.196237917606716
CCc1ccc(C(=O)N2C[C@H](C(=O)NC[C@@H]3OCCc4ccccc43)C3(CC[NH2+]CC3)C2)cc1,C39668934_decoy,ADA,Decoy,0,-9.85298,-9.37,-0.41,-8.310516055627717
O=C(NC[C@@H]1OCCc2ccccc21)[C@H]1CN(C(=O)c2cccc(Cl)c2)CC12CC[NH2+]CC2,C39668995_decoy,ADA,Decoy,0,-10.6288,-4.55,-0.45,-5.208458457306455
CN1CCCc2cc(CNC(=O)[C@H]3CN(C(=O)c4ccc(F)cc4F)CC34CC[NH2+]CC4)ccc21,C39672161_decoy,ADA,Decoy,0,-9.63428,-9.08,-0.75,-7.774888751911146
CC[C@@H](C)C(=O)N1C[C@@H](C(=O)NCc2ccc3c(c2)CCCN3C)C2(CC[NH2+]CC2)C1,C39672182_decoy,ADA,Decoy,0,-9.02264,-6.1,-0.95,-6.239274160712697
COc1cccc([C@@H](C)NC(=O)[C@@H]2CN(C(=O)c3ccc(C)cc3)CC23CC[NH2+]CC3)c1,C39676611_decoy,ADA,Decoy,0,-10.0111,-7.86,-0.94,-7.452957973646366
CCc1ccc(C(=O)N2C[C@@H](C(=O)NCc3ccccc3N3CCCCC3)C3(CC[NH2+]CC3)C2)cc1,C39678255_decoy,ADA,Decoy,0,-10.7834,-8.76,-0.7,-9.648172150837526
Cc1ccc(C(=O)N2C[C@@H](C(=O)NCCOc3ccccc3Cl)C3(CC[NH2+]CC3)C2)cc1,C39681206_decoy,ADA,Decoy,0,-9.92125,-9.84,-0.72,-10.104666085053331
O=C(NCCOc1ccccc1Cl)[C@H]1CN(C(=O)c2ccc(F)cc2F)CC12CC[NH2+]CC2,C39681252_decoy,ADA,Decoy,0,-9.35181,-9.91,-0.72,-9.509055515185649
COc1ccc(Br)c(C(=O)N2C[C@H](C(=O)N[C@@H](C)C(C)(C)C)C3(CC[NH2+]CC3)C2)c1,C39684565_decoy,ADA,Decoy,0,-10.4608,-9.74,-1.32,-15.537319863296432
Cc1cc(C(=O)N2C[C@H](C(=O)N[C@@H](C)C(C)(C)C)C3(CC[NH2+]CC3)C2)c(C(F)(F)F)o1,C39684631_decoy,ADA,Decoy,0,-9.00948,-7.8,0.32,-8.97425436709139
O=C(NCc1ccc(-n2cccc2)cc1)[C@H]1CN(C(=O)[C@H]2CC=CCC2)CC12CC[NH2+]CC2,C39690319_decoy,ADA,Decoy,0,-9.35771,-8.74,-2.26,-8.188522816966524
CCc1ccc([C@@H](C)NC(=O)[C@@H]2CN(C(=O)c3cc(C)oc3C(F)(F)F)CC23CC[NH2+]CC3)cc1,C39696222_decoy,ADA,Decoy,0,-10.2279,-6.72,-1.25,-6.45740432445987
CC(C)NS(=O)(=O)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCC[C@@H]3C)cc2)cc1,C46838931_decoy,ADA,Decoy,0,-10.1806,-7.16,-2.51,-6.774066500941266
C[C@@H](SCc1nc2scc(-c3ccccc3)c2c(=O)[nH]1)C(=O)NC1CC[NH+](C2CC2)CC1,C14236048_decoy,ADA,Decoy,0,-10.3892,-7.62,-1.48,-11.435034044739227
C[C@H]1C[C@H](C)C[NH+](C(C)(C)CNC(=O)/C=C/c2ccc(S(=O)(=O)NC3CC3)cc2)C1,C60095059_decoy,ADA,Decoy,0,-11.0929,-9.1,-1.04,-14.387117516158398
Cc1ccc([C@@H](CNC(=O)C[C@H]2Sc3ccc(Cl)cc3NC2=O)[NH+]2CCCC2)o1,C60355157_decoy,ADA,Decoy,0,-10.107,-9.11,-1.5,-13.083258183622894
[H]/N=C1\c2ccccc2CN1c1ccc(S(=O)(=O)c2ccc(N3Cc4ccccc4C3=[NH2+])cc2)cc1,C25356960_decoy,ADA,Decoy,0,-11.31,-6.18,-0.66,-7.253786642745879
CC[NH+](CC)CCNC(=O)Cc1n[nH]c(=O)c2ccccc12,C02591719_decoy,ADA,Decoy,0,-6.94154,-7.35,-0.47,-6.5126113466929
CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@H](C[NH3+])C1,C12359103_decoy,ADA,Decoy,0,-6.49913,-6.79,-0.71,-7.543134495189604
CC(C)CNC(=O)C(=O)NCC1CC[NH+](Cc2ccco2)CC1,C23127498_decoy,ADA,Decoy,0,-7.77405,-6.75,-0.9,-5.770872980824783
CCOCCC/[NH+]=C(\N)SCc1cc(=O)n2c(C)cccc2n1,C29575655_decoy,ADA,Decoy,0,-8.57323,-6.72,-1.02,-7.911185667245186
C=CCOC(=O)c1sc2nc(C[NH2+]CC)[nH]c(=O)c2c1C,C36154530_decoy,ADA,Decoy,0,-7.8672,-5.42,-0.18,-6.476971409304995
COCC[NH+](Cc1nc2sc(C)c(C)c2c(=O)[nH]1)CC(C)(C)O,C36204406_decoy,ADA,Decoy,0,-8.175,-6.09,-0.97,-7.933259244589706
CCCN(CCC)S(=O)(=O)N[C@@H]1C[NH2+]C[C@@H]1OC,C36265100_decoy,ADA,Decoy,0,-7.37783,-5.84,-0.39,-10.719224702480792
COCCc1nc(-c2ccc([N+](=O)[O-])cc2)c(CC[NH3+])s1,C36291467_decoy,ADA,Decoy,0,-7.86923,-7.03,-0.17,-8.716570287101142
COc1nc(N(C)C)sc1C[NH2+]CC(=O)NC1CC1,C36907403_decoy,ADA,Decoy,0,-7.55309,-6.38,-1.14,-9.52881081608311
Cn1cc[nH+]c1[C@H](NCCNS(C)(=O)=O)c1cccs1,C37241444_decoy,ADA,Decoy,0,-9.4607,-6.16,-1.2,-7.179300611899225
CCC[C@](C)([NH3+])C(=O)N(CCOC)[C@H]1CCS(=O)(=O)C1,C37802118_decoy,ADA,Decoy,0,-7.07424,-6.41,-0.29,-6.930239265227406
CC[C@H](C)NC(=O)CC[NH2+]Cc1csc([N+](=O)[O-])c1,C38014262_decoy,ADA,Decoy,0,-6.40066,-6.2,-1.92,-7.259522131571935
COc1ccc(C[NH2+]C(C)C)c(OC[C@@H]2CNC(=O)O2)c1,C40904363_decoy,ADA,Decoy,0,-7.90044,-6.2,-0.2,-6.159581940298131
COc1ccc(C[NH2+]C2CC2)c(OC[C@@H]2CNC(=O)O2)c1,C40904548_decoy,ADA,Decoy,0,-6.96058,-5.33,-0.52,-5.278431824496416
CCCNC(=O)C[NH+]1CCC[C@H](CNS(C)(=O)=O)C1,C41625460_decoy,ADA,Decoy,0,-7.18578,-6.65,-0.14,-6.996896520637517
CC[NH+]1CCN(CCCNC(=O)C(=O)Nc2ccccc2)CC1,C41719775_decoy,ADA,Decoy,0,-6.38697,-6.54,-1.16,-5.625320503801683
CCCN(CC1CC1)C(=O)[C@@H](C)[NH+]1CCN(CC(N)=O)CC1,C42643247_decoy,ADA,Decoy,0,-7.65804,-6.49,-1.55,-6.509997887451074
C=CCNC(=O)COc1cc2c(cc1C[NH2+]C)OCO2,C42874217_decoy,ADA,Decoy,0,-7.09088,-6.63,-4.36,-7.287736207921759
CCCNC(=O)COc1cc2c(cc1C[NH2+]CC)OCO2,C42874475_decoy,ADA,Decoy,0,-7.01934,-6.48,-0.83,-7.861397442564249
CC[NH2+]Cc1cc2c(cc1OCCOCCO)OCO2,C42874632_decoy,ADA,Decoy,0,-6.92892,-5.46,-0.28,-6.349221892493841
COCCOCC[NH2+][C@@H]1C(=O)Nc2ccc(OC)cc21,C44694491_decoy,ADA,Decoy,0,-7.28586,-6.54,-1.34,-6.178713683560934
Cc1cc([C@@H](C)[NH2+]C[C@@H](O)COc2cnsn2)c(C)o1,C44730173_decoy,ADA,Decoy,0,-7.64879,-6.09,-0.27,-6.906005429404344
C[NH+](C)[C@@H](CNC(=O)NCCN1CCOCC1)c1cccs1,C44909796_decoy,ADA,Decoy,0,-7.45139,-6.77,-0.34,-7.327272453819384
C[C@H](CNC[C@@H](O)COc1cnsn1)[NH+]1CCCCC1,C44992956_decoy,ADA,Decoy,0,-8.04652,-6.7,-0.41,-7.719979058260636
COC[C@@H](C)NC(=O)NC(=O)C[NH+](C)CC1CCCC1,C49492033_decoy,ADA,Decoy,0,-7.39921,-6.39,-0.55,-7.472592844918049
O=[N+]([O-])c1ccccc1C[NH2+]C[C@@H](O)COCC1CC1,C50015747_decoy,ADA,Decoy,0,-7.18656,-5.55,-1.28,-5.267655101378224
COC[C@H](O)C[NH+](C)CC(=O)Nc1sccc1C#N,C50118360_decoy,ADA,Decoy,0,-7.44496,-6.7,-1.57,-6.737273943648321
CCCN([C@@](C)(CC)C[NH3+])S(=O)(=O)c1c(C)nn(C)c1C,C50252520_decoy,ADA,Decoy,0,-6.87197,-6.05,-1.98,-6.781854534215781
CNc1ccc(S(=O)(=O)NCC[NH+](C)C(C)C)cn1,C54131929_decoy,ADA,Decoy,0,-8.14564,-5.18,-1.56,-5.399792888607199
CNS(=O)(=O)CCNC(=O)CC[NH+]1CCCCCCC1,C55358785_decoy,ADA,Decoy,0,-7.41955,-6.92,-0.31,-7.2854333156499775
COCCCNC(=O)C[NH+]1CCC(C(=O)NC2CC2)CC1,C56511314_decoy,ADA,Decoy,0,-7.43474,-6.23,-0.83,-6.39802503885189
CCC(CC)(CNC(=O)CNS(C)(=O)=O)[NH+](C)C,C57043487_decoy,ADA,Decoy,0,-6.47819,-5.8,-0.43,-5.823654059282325
COCCCNC(=O)C[NH+](C)[C@@H](C)C(=O)NC(C)(C)C,C57627824_decoy,ADA,Decoy,0,-6.66239,-4.17,-1.46,-4.529337581274039
CCNS(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCC(C)CC1,C62357134_decoy,ADA,Decoy,0,-8.95188,-6.92,-1.11,-8.129717241514514
CCOC(=O)[C@H](CCSc1nc(C)n[nH]1)[NH2+]C(C)C,C62602057_decoy,ADA,Decoy,0,-8.09786,-6.2,-0.29,-7.456070689923384
CC[C@@]1(C(=O)N(C)CC(=O)NCCCOC)CCC[NH2+]C1,C62857711_decoy,ADA,Decoy,0,-6.93343,-5.95,-3.76,-5.942441469626488
CC[C@@]1(C(=O)N(C)CC(=O)NCCCOC)CC[NH2+]C1,C62896338_decoy,ADA,Decoy,0,-6.5937,-5.76,-1.45,-5.658250392580477
CC1CC[NH+](CCCCNC(=O)[C@H](C)NS(C)(=O)=O)CC1,C63758496_decoy,ADA,Decoy,0,-8.03734,-7.0,-1.64,-6.976966908093317
O=C(CCNS(=O)(=O)c1ccccc1)N[C@H]1CC[NH+](C2CC2)C1,C57553214_decoy,ADA,Decoy,0,-8.41454,-7.21,-0.61,-7.487685110600132
c1cc2n(n1)C[C@@H](C[NH2+]Cc1ccc(OCC3CC3)nc1)CN2,C58299844_decoy,ADA,Decoy,0,-7.91405,-7.38,-0.75,-6.661553237514978
Cc1csc(CC(=O)NNC(=O)C[NH+](C)CCC(F)(F)F)n1,C64635081_decoy,ADA,Decoy,0,-6.66039,-7.2,-0.41,-7.094369520488488
CC[C@@H](C)[NH+](C)CCNC(=O)NC1CCN(C(=O)C(C)C)CC1,C66177876_decoy,ADA,Decoy,0,-8.11893,-7.33,-2.06,-8.048710894481546
CC(C)CCNC(=O)C1CC[NH+](CC(=O)NCC#N)CC1,C66494959_decoy,ADA,Decoy,0,-7.21833,-6.11,-0.72,-7.257762922011579
C[C@H](NC(=O)C1CCOCC1)C(=O)NCCC[NH+]1CCCCCC1,C66819727_decoy,ADA,Decoy,0,-7.96363,-6.9,-1.3,-6.35094647388416
CC(C)C[C@@H](C[NH+](C)C)NC(=O)[C@H](C)NC(=O)C1CCOCC1,C66829103_decoy,ADA,Decoy,0,-7.85114,-6.53,-0.58,-6.561271833398489
CC(C)[C@@H](CNC(=O)[C@H](C)NC(=O)C1CCOCC1)[NH+]1CCCC1,C66838579_decoy,ADA,Decoy,0,-8.01529,-6.38,-0.59,-6.2226869553015645
CCS(=O)(=O)NCC[NH2+]Cc1cn(-c2ccccc2)nc1C,C66875967_decoy,ADA,Decoy,0,-7.37567,-7.54,-0.43,-6.923028140187421
CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)NC(=O)C1CCOCC1,C66927570_decoy,ADA,Decoy,0,-7.07601,-5.9,-0.64,-5.7571158787654815
O=C(NCC[NH2+]Cc1ccccc1N1CCOCC1)c1ccco1,C66970922_decoy,ADA,Decoy,0,-7.57785,-7.95,-1.36,-7.386017348264679
C[C@@H](CNC(=O)CNC(=O)OC(C)(C)C)[NH+]1CCCC1,C67573396_decoy,ADA,Decoy,0,-6.69512,-5.19,-1.14,-4.457025287229862
O=S(=O)(c1ccc(NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)cc1)N1CCOCC1,C03305103_decoy,ADA,Decoy,0,-9.47529,-9.14,-1.43,-8.649156702692245
COc1nsnc1NS(=O)(=O)c1ccc(NC(=S)NC(=O)/C=C/c2cccs2)cc1,C05344836_decoy,ADA,Decoy,0,-12.5193,-7.73,-1.51,-8.892978130350398
O=C(CNc1ccccc1C(=O)NC[C@H]1CCCO1)Nc1ccc(S(=O)(=O)N2CCCC2)cc1,C08710901_decoy,ADA,Decoy,0,-9.54665,-7.9,-3.42,-7.295646455906546
C[C@@]1(CCc2ccccc2)NC(=O)N(NC(=O)c2ccc(S(=O)(=O)Nc3ccccc3)cc2)C1=O,C08861022_decoy,ADA,Decoy,0,-9.04466,-10.23,-0.78,-8.588670000893279
CCCCCCN1C(=O)C(=O)C2=C(c3ccc(OC)c(OC)c3)O[C@@]3(O)c4ccccc4C(O)(O)[C@]213,C03624846_decoy,ADA,Decoy,0,-9.48799,-4.41,-2.51,-4.956585389111135
COc1ccc([C@H](CNC(=O)C(=O)NNC(=O)c2cccs2)S(=O)(=O)c2cccs2)cc1,C08968886_decoy,ADA,Decoy,0,-9.86779,-8.01,-1.86,-11.0585086495477
Cc1ccc(S(=O)(=O)[C@H](CNC(=O)C(=O)NNC(=O)c2cccs2)c2ccco2)cc1C,C09081884_decoy,ADA,Decoy,0,-10.0607,-9.24,-2.42,-9.552578568434017
Cc1ccc(S(=O)(=O)NCC2CCC(C(=O)NCC(=O)N[C@@H]3CCS(=O)(=O)C3)CC2)cc1,C09419527_decoy,ADA,Decoy,0,-9.38316,-8.87,-1.71,-8.481340779894204
CC[C@@]1(c2ccccc2)NC(=O)N(CC(=O)Nc2ccccc2C(=O)NCc2ccco2)C1=O,C09579688_decoy,ADA,Decoy,0,-8.92919,-10.16,-2.1,-9.711101911156868
O=C(NCCCN1CCCC1=O)C(=O)Nc1c(C(=O)Nc2ccccc2F)oc2ccccc12,C09705621_decoy,ADA,Decoy,0,-8.597,-8.79,-0.95,-7.854566819441838
Cc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C(=O)NCCCN1CCCC1=O,C09705879_decoy,ADA,Decoy,0,-9.1548,-8.24,-1.8,-8.271620224352487
CCCN(C(=O)[C@@H]1CC(=O)N(Cc2ccc(C)cc2)C1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C09834736_decoy,ADA,Decoy,0,-8.82627,-7.18,-2.28,-7.823885495135454
O=C(CSCc1nc2sc3c(c2c(=O)[nH]1)CCC3)NCCCN1C(=O)NC2(CCCC2)C1=O,C10425374_decoy,ADA,Decoy,0,-10.3098,-9.22,-1.8,-9.4015902902843
CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(NC(=O)[C@@H]3CC(=O)N(c4ccccc4)C3)cc2)cc1,C10462839_decoy,ADA,Decoy,0,-10.0803,-8.67,-3.47,-9.73051814837438
O=C(Nc1ccccc1C(=O)NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccccc3)C2)cc1,C10462888_decoy,ADA,Decoy,0,-9.78687,-9.03,-2.36,-8.142471323073371
C/C(=N\NC(=O)C[NH2+][C@@H](C)c1ccccc1)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1,C13264382_decoy,ADA,Decoy,0,-10.1368,-7.89,-0.84,-7.176269724243926
O=C([O-])C[C@H](NC(=O)CN1CC[C@@H](CCc2ccc3c([nH+]2)NCCC3)C1=O)c1cccnc1,C13436052_decoy,ADA,Decoy,0,-10.5701,-8.16,-1.2,-9.919907893697903
COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)[C@@H]1CC(=O)N(Cc2ccccc2)C1,C13623425_decoy,ADA,Decoy,0,-10.5066,-8.17,-0.8,-9.414932939163831
C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1C1CC1)c1ccc(S(N)(=O)=O)cc1,C14157849_decoy,ADA,Decoy,0,-10.8296,-8.82,-1.09,-9.80905138006166
CC(C)CCN(C(=O)C[C@@H]1OC(=O)c2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C14578854_decoy,ADA,Decoy,0,-8.29987,-9.42,-3.29,-8.641280636240104
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1,C14839212_decoy,ADA,Decoy,0,-9.61123,-9.39,-1.16,-8.351325515139777
Cc1ccccc1C(=O)N[C@H](CC(C)C)C(=O)NNC(=O)c1cccc(S(=O)(=O)N(C)C)c1,C15896058_decoy,ADA,Decoy,0,-9.10353,-7.17,-1.86,-6.638483007953132
Cc1sc2nc(CS[C@@H](C)C(=O)NNC(=O)[C@@H](C)Oc3ccccc3F)[nH]c(=O)c2c1C,C17640254_decoy,ADA,Decoy,0,-9.88425,-9.65,-0.53,-9.585739227664831
CCOC(=O)c1c(C)oc(NC(=O)Cn2cc(C(F)(F)F)cc(Cl)c2=O)c1C(N)=O,C18346977_decoy,ADA,Decoy,0,-8.10413,-8.76,-0.88,-11.749253830861774
CCOc1cc(/C=N/NC(=O)C(=O)NCCCN2CCOCC2)cc(I)c1O,C19866771_decoy,ADA,Decoy,0,-9.62895,-7.37,-1.49,-6.66114289599946
COc1ccc([C@H](c2c([O-])[nH]c(=O)[nH]c2=O)[NH+](Cc2ccccc2)C(C)C)c(OC)c1OC,C20156025_decoy,ADA,Decoy,0,-8.74459,-7.86,-0.99,-7.218146585970542
CC[NH+]1CCN(CCNC(=O)CCCCn2c([O-])c3[nH]c4ccc(OC)cc4c3nc2=S)CC1,C20331484_decoy,ADA,Decoy,0,-9.61308,-7.74,-0.66,-8.302411168631995
C[C@H](OC(=O)CCc1nc2ccccc2c(=O)n1C1CC1)C(=O)Nc1sccc1C(N)=O,C20978687_decoy,ADA,Decoy,0,-8.86935,-7.6,-2.54,-6.9682147706030095
CC(=O)Nc1ccc(C(=O)NCCNS(=O)(=O)c2ccc3c(c2)C[C@H](C)N3C(=O)C(F)(F)F)cc1,C21682358_decoy,ADA,Decoy,0,-8.37218,-9.74,-1.96,-10.291348303992692
Cc1cc(C)nc(NNC(=O)CCNS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)n1,C22233507_decoy,ADA,Decoy,0,-8.06163,-9.07,-1.74,-7.793550885518358
Cc1ccc(CNC(=O)c2ccccc2NC(=O)COC(=O)C[C@H]2Oc3ccccc3NC2=O)cc1,C24091580_decoy,ADA,Decoy,0,-8.52586,-8.67,-2.26,-8.773314094479446
NC(=O)Cc1ccc(NC(=O)C2CCN(S(=O)(=O)c3cccc(OC(F)(F)F)c3)CC2)cc1,C32045057_decoy,ADA,Decoy,0,-8.81617,-9.58,-2.43,-8.186836527618325
O=C(C[C@@H]1SC(N2CCCCC2)=NC1=O)Nc1cccc(C(=O)NCC(=O)NC2CC2)c1,C32895904_decoy,ADA,Decoy,0,-9.54039,-9.71,-1.71,-8.86778066661733
CC[C@H](C)N(C(=O)COC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)[C@H]1CCS(=O)(=O)C1,C35544468_decoy,ADA,Decoy,0,-9.36081,-9.3,-0.71,-10.95699450660416
CC(=O)OC[C@@H](O)[C@@H]1CC[C@@]2(O)[C@H]3CC[C@@]4(O)C[C@@H](OC(C)=O)CC[C@]4(COC(C)=O)[C@@H]3CC[C@]12C,C36371999_decoy,ADA,Decoy,0,-10.0767,-3.86,-1.83,-5.175428226159832
C[C@@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)C(=O)N[C@H]1CCS(=O)(=O)C1,C36589720_decoy,ADA,Decoy,0,-10.4291,-9.08,-2.36,-9.311068971475905
COCCN(C(=O)CN1CCCc2ccccc21)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C03345659_decoy,ADA,Decoy,0,-9.91089,-8.96,-3.13,-9.533190450567815
O=C(NCCc1c[nH]c2ccccc12)C(=O)NC[C@H]1OCCCN1S(=O)(=O)c1cccs1,C12140283_decoy,ADA,Decoy,0,-9.22722,-10.33,-1.78,-8.992482181092788
O=C(Cn1cnc(-c2ccc(F)cc2)cc1=O)NCCNC(=O)c1ccc(NC(=O)C2CC2)cc1,C38509403_decoy,ADA,Decoy,0,-7.70277,-10.32,-3.36,-8.936303950440639
CC(C)C[C@H](C(=O)O[C@@H](C)C(=O)Nc1sccc1C(N)=O)N1C(=O)[C@H]2CC=CC[C@H]2C1=O,C21602886_decoy,ADA,Decoy,0,-10.3428,-6.53,-1.02,-7.145429586242779
CC(C)S(=O)(=O)NC[C@H](c1ccc(S(=O)(=O)Oc2ccccc2)cc1)N1CC[NH2+][C@H]([O-])C1,C39534312_decoy,ADA,Decoy,0,-10.4708,-8.82,-0.56,-9.122872374839934
O=C([O-])CCCCNC(=O)[C@H]1CN(C(=O)c2ccc(-c3ccccc3)o2)CC12CC[NH2+]CC2,C39682861_decoy,ADA,Decoy,0,-9.52979,-9.26,-0.04,-14.560893641586707
Cc1cc[nH+]c(NC[C@@H]2CC(=O)N(c3ccc(C[C@H](NC(=O)c4c(C)cc(C)cc4C)C(=O)[O-])cc3)C2)c1,C43171696_decoy,ADA,Decoy,0,-13.1469,-10.15,-2.21,-9.897280417901504
COc1ccc(S(=O)(=O)N[C@H](C(=O)NNC(=O)[C@@H](C)Oc2ccc(F)cc2)C(C)C)cc1,C27200175_decoy,ADA,Decoy,0,-8.45444,-6.97,-1.95,-6.6392087566991504
Cc1ccc(C)c(NC(=O)C(=O)N/N=C/c2ccc(OCC(=O)NC[C@H]3CCCO3)cc2)c1,C58880853_decoy,ADA,Decoy,0,-8.65796,-8.19,-0.9,-8.564578945933688
O=C(COc1ccc(/C=N/NC(=O)C(=O)Nc2cccc(Br)c2)cc1)NC[C@H]1CCCO1,C58881252_decoy,ADA,Decoy,0,-9.71828,-8.16,-2.56,-7.715209436646902
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccco3)c2=O)=C(C(=O)NCc2ccccc2)[C@@H]1c1ccco1,C59294004_decoy,ADA,Decoy,0,-9.64221,-5.54,-3.15,-6.453578489838297
CCNC(=S)N(CCc1ccc(S(N)(=O)=O)cc1)[C@@H]1CC(=O)N(c2ccccc2)C1=O,C18119203_decoy,ADA,Decoy,0,-11.7798,-8.6,-1.84,-9.714870979352687
CCOc1cc([C@H]2CC(=O)NC3=NC(SCc4ccc(F)cc4)=NC(=O)[C@@H]32)ccc1OCC(N)=O,C64773398_decoy,ADA,Decoy,0,-10.77,-10.33,-2.35,-9.977500635697943
O=C(CC[C@@]1(Cc2ccc(Cl)cc2)CCC(=O)N1)NCCc1nc(-c2ccncc2)n[nH]1,C12196287_decoy,ADA,Decoy,0,-8.5469,-9.68,-1.18,-8.1626439399943
CC(C)CC(=O)N[C@H](NC(=S)Nc1cccc([N+](=O)[O-])c1)C(Cl)(Cl)Cl,C02667006_decoy,ADA,Decoy,0,-9.29629,-5.77,-1.8,-7.160177442165786
CCOC(=O)c1ccc(NC(=S)N[C@H](NC(C)=O)C(Cl)(Cl)Cl)cc1,C01184592_decoy,ADA,Decoy,0,-9.47493,-5.8,-0.45,-6.621749692358117
O=C(Cc1ccccc1)NCC(=O)NNC(=O)c1ccc(COc2ccccc2)cc1,C06786787_decoy,ADA,Decoy,0,-8.75775,-9.22,-0.84,-8.872854926135787
Cc1cc(NC(=O)CSCC(=O)NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)no1,C10690872_decoy,ADA,Decoy,0,-9.65803,-9.23,-1.33,-10.867661814329772
O=C(COc1ccccc1)NNC(=S)NC(=O)COc1ccc(Br)cc1,C12572014_decoy,ADA,Decoy,0,-9.15686,-8.22,-0.41,-10.31969163165895
COCCNC(=O)c1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OC)c1,C13618503_decoy,ADA,Decoy,0,-10.5024,-7.38,-1.27,-8.509697267211951
CCOc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(OC)c(Br)c2)cc1,C13621150_decoy,ADA,Decoy,0,-10.7973,-8.18,-1.03,-9.260012586278288
CCOC(=O)/C=C/C(=O)NC(=S)Nc1ccccc1C(=O)N[C@H](C)c1ccccc1,C14000004_decoy,ADA,Decoy,0,-9.06973,-8.69,-2.3,-9.537925438736696
COc1ccc(/C=C/C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@H]2CCCO2)cc1,C14000587_decoy,ADA,Decoy,0,-8.54446,-8.44,-2.05,-9.335010277123803
C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)Cc2ccc(Cl)cc2)cc1,C14002080_decoy,ADA,Decoy,0,-10.3454,-7.79,-0.86,-8.466182518108697
CCOc1ccccc1C(=O)NC(=S)NNC(=O)COc1ccc(Cl)cc1C,C14020684_decoy,ADA,Decoy,0,-9.33688,-8.71,-1.35,-13.495850039671115
COCCOc1ccc(C(=O)NC(=S)NNC(=O)c2cccc(C)c2)cc1Br,C14662090_decoy,ADA,Decoy,0,-9.57255,-8.58,-0.5,-11.890202398385428
Nc1c(N(CCC2=CCCCC2)C(=O)CCc2ccccc2)c(=O)[nH]c(=O)n1Cc1ccccc1,C14697644_decoy,ADA,Decoy,0,-9.22727,-6.84,-1.76,-6.82945086265176
C=CCNC(=O)c1ccccc1NC(=S)NC(=O)c1ccc(OCC)c(Br)c1,C14770719_decoy,ADA,Decoy,0,-10.3897,-8.16,-2.72,-9.355597889709092
CSCC[C@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)NNC(=O)c1ccc(C)cc1C,C14802350_decoy,ADA,Decoy,0,-9.88337,-7.89,-1.95,-10.344307606764763
CC[C@H](C)NC(=O)c1cccc(NC(=S)NC(=O)c2ccccc2OC(C)C)c1,C14836490_decoy,ADA,Decoy,0,-8.83675,-7.8,-2.18,-9.956139705199655
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1,C15384810_decoy,ADA,Decoy,0,-8.25273,-9.84,-0.16,-12.8445146632435
CC(C)(C)c1ccc(C(=O)NCCC(=O)NNC(=O)CSc2ccccc2F)cc1,C15466879_decoy,ADA,Decoy,0,-8.38773,-9.7,-0.57,-7.93780780123066
Cc1cccc(C(=O)N[C@@H](C(=O)NNC(=O)COc2cc(C)ccc2C(C)C)C(C)C)c1,C03374464_decoy,ADA,Decoy,0,-8.59083,-9.03,-2.74,-8.385489576615454
CS(=O)(=O)NCCc1ccc(C(=O)COC(=O)c2ccc(Cl)c(N)c2)s1,C16745073_decoy,ADA,Decoy,0,-10.5942,-8.06,-1.02,-10.791589053805875
C[C@@H](Oc1ccccc1F)C(=O)NNC(=O)CCCNC(=O)c1ccc(Cl)cc1,C18054597_decoy,ADA,Decoy,0,-7.7713,-8.41,-1.93,-8.759213561377438
CCOC(=O)c1c(NC(=O)COc2ccc(Cl)cc2C(N)=O)sc(C)c1CC,C19042458_decoy,ADA,Decoy,0,-9.89937,-8.71,-0.44,-13.07900941777783
CC(C)COc1ccc(C(=O)NC(=S)Nc2ccc(C(=O)NCc3ccco3)cc2)cc1,C20115063_decoy,ADA,Decoy,0,-10.2949,-8.99,-2.19,-8.94065096819906
COC(=O)[C@@](O)(c1ccc(NC(=S)NC(=O)c2ccccc2)c(OC)c1)C(F)(F)F,C20228499_decoy,ADA,Decoy,0,-8.3466,-8.11,-2.77,-6.927027678580479
COC(=O)[C@](O)(c1ccc(NC(=S)NC(=O)c2ccccc2)c(OC)c1)C(F)(F)F,C20228501_decoy,ADA,Decoy,0,-8.34243,-8.47,-0.54,-8.38364724488976
CCOC(=O)[C@@](O)(c1ccc(NC(=S)NC(=O)c2ccccc2)cc1)C(F)(F)F,C20609204_decoy,ADA,Decoy,0,-9.62802,-8.2,-1.25,-10.303654070840544
CCCN(C(=O)CCSc1ccccc1F)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C24342817_decoy,ADA,Decoy,0,-8.58567,-8.21,-3.52,-8.794999739414768
C[C@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl,C28908428_decoy,ADA,Decoy,0,-10.8407,-8.49,-0.85,-10.272248023277392
C[C@H](Sc1nnc(C2CC2)n1CCC(N)=O)C(=O)N[C@@H](C)c1ccc(Cl)cc1Cl,C28908433_decoy,ADA,Decoy,0,-11.0659,-8.84,-0.96,-18.735960842355247
Cc1ccccc1NC(=O)N[C@@H](Cc1ccccc1)C(=O)NCCCN1CCOCC1,C35096648_decoy,ADA,Decoy,0,-9.61449,-9.01,-1.91,-10.834617654260509
CCOCCCNC(=O)c1cc(NC(=O)Nc2ccc(Br)cc2)ccc1N(C)C,C35210343_decoy,ADA,Decoy,0,-9.05032,-6.32,-0.91,-8.64428364630856
O=C(COc1ccc(OC(F)(F)F)cc1)NNC(=S)Nc1cccc(C(F)(F)F)c1,C02532728_decoy,ADA,Decoy,0,-6.28966,-8.77,-1.21,-6.949929937381258
COc1ccc(NC(=S)NCCNc2nc3cc(C)cc(C)c3cc2C#N)c(OC)c1,C35292344_decoy,ADA,Decoy,0,-11.9618,-9.02,-0.64,-10.14395172860424
CC(C)CNC(=O)[C@]1(OCc2ccccc2)C[C@@H](O)[C@@H](O)[C@@H](OCc2ccc(C#N)cc2)C1,C35592578_decoy,ADA,Decoy,0,-9.70081,-9.51,-1.59,-10.264209201674568
CCNC(=S)N1CCC([C@H](NC(=O)c2cccs2)C(=O)N[C@@H](C)C(C)C)CC1,C35749648_decoy,ADA,Decoy,0,-10.2157,-5.46,-2.01,-6.485767302325838
CC[C@H](C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)CCC2CCCCC2)cc1,C09206979_decoy,ADA,Decoy,0,-10.3015,-8.74,-0.48,-9.100620048919414
CC(C)(C)CC(C)(C)NC(=O)[C@H](c1cccc(O)c1)N(Cc1ccco1)C(=O)CO,C36503683_decoy,ADA,Decoy,0,-8.33137,-6.33,-4.67,-7.163617258578345
CCCN(C(=O)CNC(=O)c1ccccc1)[C@@H](C(=O)NC(C)(C)C)c1ccccc1O,C36575365_decoy,ADA,Decoy,0,-7.89693,-5.77,-1.73,-5.899494736881492
Cc1ccc(CO[C@H]2C[C@](OCc3ccccc3C#N)(C(=O)NCC3CC3)C[C@@H](O)[C@H]2O)cc1,C37423587_decoy,ADA,Decoy,0,-10.0649,-9.89,-2.06,-10.77176576502386
CCOc1cc(C[NH2+][C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1OCc1ccccc1Cl,C40721476_decoy,ADA,Decoy,0,-10.147,-8.65,-3.47,-8.76435527145056
COCCN(CCOC)c1ncnc(Nc2ccc(I)cc2)c1N,C40751983_decoy,ADA,Decoy,0,-8.84009,-7.13,-0.1,-11.808567282942988
COCCNC(=O)CC[C@@]12CC[C@](C)(O)C[C@H]1C(C)(C)C[C@@H]2NC(=O)Cc1cccs1,C43547968_decoy,ADA,Decoy,0,-9.18271,-5.1,-1.83,-5.8268006526830245
CCOC(=O)c1c(NC(=O)[C@@H](C)Sc2nc(C)c(CC(N)=O)s2)sc2c1CCC2,C28519562_decoy,ADA,Decoy,0,-11.0628,-7.89,-0.57,-8.797484060343086
O=C(NNC(=S)NC[C@H]1CCCO1)c1ccc(COc2ccc3c(c2)CCC3)o1,C01117863_decoy,ADA,Decoy,0,-9.00158,-8.39,-0.77,-10.7175441999962
COc1ccc([C@@H](CNC(=O)[C@H](NC(=O)c2ccco2)C(C)C)c2c[nH]c3ccccc23)cc1,C57349405_decoy,ADA,Decoy,0,-8.6289,-6.93,-1.46,-6.37672850703076
CCn1c(SCC(=O)NNC(=S)N[C@@H]2CCCC[C@H]2C)nnc1-c1cccs1,C57390581_decoy,ADA,Decoy,0,-11.4589,-8.29,-0.56,-9.650719618609491
CCN(CC)S(=O)(=O)c1ccc(C)c(C(=O)NC[C@@H](Cc2ccc(F)cc2)C(N)=O)c1,C58156716_decoy,ADA,Decoy,0,-9.57274,-8.57,-0.58,-9.269872472920254
Cc1ccc(S(=O)(=O)NCCNC(=O)[C@@H](NC(=O)c2ccc(Cl)cc2)C(C)C)cc1,C26105166_decoy,ADA,Decoy,0,-8.0614,-8.03,-1.55,-7.125090469022704
CC(C)C[C@@H](NC(=O)NNC(=O)c1ccc(COc2ccccc2)o1)c1ccccc1,C58714744_decoy,ADA,Decoy,0,-7.99947,-9.2,-1.58,-7.373846506543156
CNc1ccc(S(=O)(=O)NC)cc1NS(=O)(=O)c1ccc(CCC(C)C)cc1,C60341692_decoy,ADA,Decoy,0,-10.0194,-7.27,-1.56,-10.373240939503162
C[C@H](NC(=O)C1CCC(CNS(=O)(=O)c2ccccc2)CC1)C(=O)N[C@H](C)c1ccccc1,C08990593_decoy,ADA,Decoy,0,-9.71929,-9.35,-1.44,-9.125371356690628
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc1,C09206562_decoy,ADA,Decoy,0,-10.779,-8.75,-0.94,-8.64792404385727
COC(=O)[C@@](O)(c1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2Cl)c(OC)c1)C(F)(F)F,C02283240_decoy,ADA,Decoy,0,-10.1809,-8.98,-0.7,-8.916563878393998
COc1ccccc1/C=C/C(=O)NC(=S)NNC(=O)COc1ccc(Br)cc1C,C10042515_decoy,ADA,Decoy,0,-9.90345,-10.08,-0.58,-10.163548995968789
Cc1ccc(OCC(=O)NNC(=S)NC(=O)CCc2ccccc2Cl)c(Br)c1,C10460330_decoy,ADA,Decoy,0,-8.87368,-8.48,-0.61,-8.647485085153324
Cc1cc(NC(=O)[C@@H](C)SCC(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)no1,C10690942_decoy,ADA,Decoy,0,-9.02821,-9.79,-2.63,-9.548414842165304
NS(=O)(=O)c1ccc(C(=O)OCC(=O)NCCC(c2ccccc2)c2ccccc2)cc1,C10794820_decoy,ADA,Decoy,0,-8.21056,-9.86,-2.71,-8.362496588527291
O=C(CCCCCN1C(=O)/C(=C\C=C/c2ccccc2)SC1=S)NNC(=O)c1ccccc1O,C11612297_decoy,ADA,Decoy,0,-10.2353,-8.73,-1.91,-8.386751589675622
Cc1ccc(OCC(=O)NNC(=S)NC(=O)C(c2ccccc2)c2ccccc2)c(Br)c1,C12502744_decoy,ADA,Decoy,0,-10.712,-9.87,-2.96,-10.378294472086054
O=C(COc1ccc(Cl)cc1Cl)NNC(=S)NC(=O)COc1ccc(Br)cc1,C12572093_decoy,ADA,Decoy,0,-10.18,-8.7,-0.97,-13.191330675847322
Cc1ccc(OCC(=O)NNC(=S)NC(=O)COc2ccc(Br)cc2)cc1,C12572169_decoy,ADA,Decoy,0,-8.85943,-8.91,-0.23,-16.16104956412289
COCCCNC(=O)c1ccc(NC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cc1,C13615340_decoy,ADA,Decoy,0,-10.8756,-8.07,-1.18,-8.75034164116341
COCCNC(=O)c1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)c1,C13618500_decoy,ADA,Decoy,0,-10.7347,-7.16,-1.78,-8.068434579734644
CCc1ccc(OCC(=O)NNC(=S)NC(=O)/C=C/c2ccc(F)cc2)c(Br)c1,C13979183_decoy,ADA,Decoy,0,-9.35017,-8.56,-1.52,-8.813713929822754
O=C(COc1ccccc1-c1ccccc1)NNC(=S)NC(=O)Cc1ccc(Cl)cc1,C14002128_decoy,ADA,Decoy,0,-8.8794,-8.41,-0.96,-8.88176050821152
CCOc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc(Br)c(C)c2)cc1,C14012719_decoy,ADA,Decoy,0,-10.8606,-8.15,-3.45,-11.685398367024336
CCc1ccc(CNc2cc(C(=O)NC3CCCC3)cc(S(=O)(=O)Nc3ccccc3)c2)o1,C14536593_decoy,ADA,Decoy,0,-9.33843,-7.87,-2.15,-9.016552942841091
CCOCCOc1ccccc1C(=O)NC(=S)Nc1ccc(NC(=O)c2cccc(C)c2)cc1,C14553487_decoy,ADA,Decoy,0,-10.8782,-7.41,-0.93,-7.161797426229032
CC(C)CCOc1ccc(C(=O)NNC(=O)c2ccc(NC(=O)C(C)C)cc2)cc1Br,C14645704_decoy,ADA,Decoy,0,-9.62737,-7.91,-1.7,-7.912859254179287
CC(=O)Nc1ccc(NC(=S)NC(=O)c2cc(Br)ccc2OCCC(C)C)cc1,C14650825_decoy,ADA,Decoy,0,-10.5541,-8.22,-1.78,-10.789687098148754
COc1ccc(C(=O)NNC(=S)NC(=O)c2cc(Br)ccc2OCC(C)C)cc1,C14667347_decoy,ADA,Decoy,0,-10.4391,-8.43,-0.97,-10.340811649215397
COc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(Cl)cc3)cc2)cc1,C14833710_decoy,ADA,Decoy,0,-11.9217,-8.57,-0.94,-8.833514416758067
O=C(CNC(=O)COc1ccccc1)NC[C@H](c1ccccc1Cl)c1c[nH]c2ccccc12,C16070008_decoy,ADA,Decoy,0,-7.38447,-9.54,-0.55,-10.462335207322882
COC(=O)c1sc2cc(NC(=S)NNC(=O)[C@@H](C)Oc3ccc4c(c3)CCC4)ccc2c1Cl,C01121835_decoy,ADA,Decoy,0,-10.4969,-9.43,-0.68,-14.539981063970776
O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1)NCc1ccc(Cl)cc1,C18248289_decoy,ADA,Decoy,0,-9.7549,-9.58,-2.21,-9.26584193393703
C[C@H](Oc1ccccc1Cl)C(=O)Nc1ccc(NC(=S)NC(=O)/C=C/c2cccs2)cc1,C20119675_decoy,ADA,Decoy,0,-12.6024,-7.62,-2.96,-8.288056650483759
CCC(=O)NC(OCCNC(=O)Nc1ccc(Cl)c(Cl)c1)(C(F)(F)F)C(F)(F)F,C20572711_decoy,ADA,Decoy,0,-6.83639,-7.95,-0.58,-10.86843734902227
C[C@H](OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)C(=O)N[C@@H](C)c1ccc(F)cc1,C22716966_decoy,ADA,Decoy,0,-8.45368,-10.07,-1.45,-8.181598660210359
CCCOc1ccc([C@@H](C)NC(=O)c2ccc(CNC(=O)NC(C)C)cc2)cc1OCCC,C24283840_decoy,ADA,Decoy,0,-10.0823,-8.37,-1.39,-8.870937880369341
CCC(=O)Nc1cccc(NC(=S)NC(=O)c2cc(Br)ccc2OCCOC)c1C,C36566869_decoy,ADA,Decoy,0,-10.4387,-8.11,-1.03,-8.78639159998001
CCCN(C(=O)C(O)(c1ccccc1)c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc(O)cc1,C36573040_decoy,ADA,Decoy,0,-8.63458,-6.52,-0.69,-6.003692753375953
CCCN(C(=O)CNC(=O)c1ccccc1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1O,C36575368_decoy,ADA,Decoy,0,-7.88824,-6.41,-1.71,-6.179543411806428
O=C(CSc1nnc(Nc2ccc(SC(F)F)cc2)s1)NNC(=O)c1ccc(F)cc1,C36773145_decoy,ADA,Decoy,0,-9.08804,-8.79,-1.91,-11.55235142207013
O=C1CCc2cc(S(=O)(=O)N[C@@H](Cc3ccccc3)C(=O)NCCC3=CCCCC3)ccc2N1,C08680553_decoy,ADA,Decoy,0,-10.2854,-10.1,-0.73,-10.466397194305422
CCCN(C[C@@H](O)COc1ccc(O)cc1C(=O)CCc1ccc(O)cc1)C(=O)C(C)(C)C,C39291124_decoy,ADA,Decoy,0,-8.3766,-8.46,-1.34,-8.451799901207645
COc1cc(OC)cc(C(=O)N[C@H](C(=O)NC[C@H](c2ccccc2)c2c[nH]c3ccccc23)C(C)C)c1,C36697799_decoy,ADA,Decoy,0,-10.0619,-8.02,-1.51,-8.03761505438797
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)NCCCOc1ccccc1F)c1cccs1,C39532989_decoy,ADA,Decoy,0,-9.8158,-9.26,-2.24,-9.778920144919656
O=C(COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccccc1Cl)Nc1cccc(F)c1,C39612089_decoy,ADA,Decoy,0,-8.49985,-10.17,-1.45,-9.7418332748943
Cc1cc(Cl)ccc1NC(=O)COC(=O)[C@@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1,C39615608_decoy,ADA,Decoy,0,-11.2685,-9.77,-2.44,-10.489141739523832
O=C(COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1ccc(F)cc1)Nc1cc(F)ccc1F,C39615959_decoy,ADA,Decoy,0,-9.14297,-9.72,-1.55,-10.34169850362385
CCc1cccc(CC)c1NC(=S)N[C@@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl,C39859396_decoy,ADA,Decoy,0,-9.32909,-5.9,-1.64,-6.028265517837219
CCCNC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)cc1,C39974479_decoy,ADA,Decoy,0,-9.5988,-8.75,-0.98,-7.865772611926709
CC(C)(F)C[C@H](N[C@@H](c1ccc(-c2ccc(C3(O)CC3)cn2)cc1)C(F)(F)F)C(=O)NC1(C#N)CC1,C45358262_decoy,ADA,Decoy,0,-12.4053,-8.92,-1.9,-10.51365949849685
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)[C@H](C)Sc1nc(C)c(CC(N)=O)s1,C28519567_decoy,ADA,Decoy,0,-11.0691,-6.94,-1.87,-8.81942620949645
O=C(NNC(=S)NCCc1cccs1)c1ccc(Oc2cccc(Br)c2)nc1,C46768416_decoy,ADA,Decoy,0,-11.0253,-7.49,-1.24,-8.70505842071773
O=C(NC(=S)NCCCNc1ccc([N+](=O)[O-])cc1Cl)c1ccc(Br)cc1,C59365743_decoy,ADA,Decoy,0,-9.43281,-8.02,-2.54,-8.069928574790094
O=C(CCCC[C@@H]1SC[C@@H]2NC(=O)N[C@@H]21)NCc1ccc(CN2CCc3ccccc32)cc1,C27589328_decoy,ADA,Decoy,0,-11.151,-9.35,-1.53,-9.162696211455929
CCOc1cc(-c2ccccc2)sc1C(=O)NNc1ccc(S(=O)(=O)NC2CC2)cc1,C60368977_decoy,ADA,Decoy,0,-10.5459,-9.14,-0.71,-8.956949188574505
O=C(CNc1cccc(C(=O)NC2CCCCC2)c1)Nc1ccccc1OC[C@H]1CCCO1,C66071034_decoy,ADA,Decoy,0,-9.21454,-7.9,-2.24,-9.325550596806654
O=C(CNc1ccc(C(=O)NC2CCCCC2)cc1)Nc1ccccc1OC[C@@H]1CCCO1,C66108821_decoy,ADA,Decoy,0,-9.46061,-7.94,-1.82,-8.733376550958647
Cc1n[nH]c(C)c1S(=O)(=O)N1CCC[C@H]1[NH3+],C20256077_decoy,ADA,Decoy,0,-6.60974,-6.53,-0.46,-6.837326770578279
C[NH2+][C@@H](c1ccc2[nH]c(=O)c(=O)[nH]c2c1)[C@@H]1CCCO1,C35487763_decoy,ADA,Decoy,0,-6.94994,-7.96,-0.64,-6.54230277096433
C[C@@H]1C[C@@H]2C[NH2+]C[C@@H]2N1C(=O)c1c[nH]c(=O)[nH]c1=O,C36258064_decoy,ADA,Decoy,0,-7.32698,-7.9,-0.2,-5.3401949110573845
CC(C)NC(=O)NC(=O)CN1CCC[NH2+]CC1,C36946462_decoy,ADA,Decoy,0,-7.37186,-6.08,-0.07,-6.305228084258757
C[C@]([NH3+])(C(=O)NC1CCN(S(C)(=O)=O)CC1)C1CC1,C37614607_decoy,ADA,Decoy,0,-8.32098,-7.14,-0.5,-6.714915662197781
O=C1NC(=O)C2(CCN(C(=O)[C@@H]3CCC[NH2+]3)CC2)N1,C37818265_decoy,ADA,Decoy,0,-6.71895,-8.12,0.07,-5.913025238870895
O=C1NC(=O)C2(CCN(C(=O)C[NH2+]C3CC3)CC2)N1,C37818299_decoy,ADA,Decoy,0,-6.61354,-7.65,0.29,-7.658974088823058
O=C1NC(=O)C2(CCN(C(=O)C[NH2+]C3CCCC3)CC2)N1,C37818319_decoy,ADA,Decoy,0,-7.45369,-5.04,-0.58,-4.390693254305029
CC(C)[C@@H]([NH3+])C(=O)N1CCC[C@H](CNS(C)(=O)=O)C1,C37819964_decoy,ADA,Decoy,0,-8.09925,-6.73,-0.87,-6.865997595591992
NC(=O)[C@H](c1ccc2c(c1)OCO2)N1CC[NH2+]CC1,C37951643_decoy,ADA,Decoy,0,-7.18643,-7.09,-0.46,-6.944875929395134
CC[NH+]1CCC(Nc2n[nH]c(=O)[nH]c2=O)CC1,C37977916_decoy,ADA,Decoy,0,-6.11513,-6.9,-0.37,-5.551947577495717
NS(=O)(=O)N1CCN(C(=O)CC2CC[NH2+]CC2)CC1,C38101521_decoy,ADA,Decoy,0,-10.2115,-7.45,-0.3,-7.477927316638046
[NH3+]CCNS(=O)(=O)c1cnc(Cl)nc1,C41664705_decoy,ADA,Decoy,0,-7.81003,-5.17,0.16,-7.192864680050752
[NH3+][C@H](Cc1c[nH]cn1)c1nc(-c2cc(F)cc(F)c2)no1,C43387465_decoy,ADA,Decoy,0,-8.42433,-5.85,-0.07,-4.977037572317269
[NH3+][C@H]1CCCC[C@@H]1Nc1cncc2nnnn12,C44610633_decoy,ADA,Decoy,0,-6.90819,-7.43,0.11,-6.184282671507165
[NH3+][C@@H]1CCCN(C(=O)N2CC[NH+](CCC(=O)[O-])CC2)C1,C48837166_decoy,ADA,Decoy,0,-8.14874,-3.21,-0.74,-3.9534811340934217
CS(=O)(=O)NC1CC[NH+](CC(N)=O)CC1,C48904150_decoy,ADA,Decoy,0,-7.55454,-6.17,-1.09,-6.785405598441138
O=C(NNC(=O)[C@H]1CCC[NH2+]1)c1ccncc1,C49826405_decoy,ADA,Decoy,0,-5.95607,-5.73,-0.63,-4.261411496360215
C[C@@H](NC(=O)c1c[nH]c(=O)cn1)[C@H]1CCC[NH2+]C1,C50162837_decoy,ADA,Decoy,0,-6.52942,-5.42,-0.89,-4.161816653544058
CC(=O)Nc1ccc(S(=O)(=O)N2CC[C@H]([NH3+])C2)cc1,C50241748_decoy,ADA,Decoy,0,-7.38602,-6.75,-0.72,-5.94668195795137
CC[C@@](C)(C[NH3+])NS(=O)(=O)C1CCS(=O)(=O)CC1,C50350826_decoy,ADA,Decoy,0,-7.60911,-7.03,-1.4,-7.161160053058469
C[C@@H](CC[NH3+])NS(=O)(=O)C1CCS(=O)(=O)CC1,C50378193_decoy,ADA,Decoy,0,-7.03575,-4.72,-1.24,-4.41116291885287
O=C1NCCC[C@H]1[NH2+]C[C@@H](O)c1ccc2c(c1)OCCO2,C50395690_decoy,ADA,Decoy,0,-7.57529,-7.59,-0.61,-6.269434755851544
C[C@H](C(=O)N(C)[C@@H]1CCC[NH+](C)C1)/C(N)=N/O,C53250258_decoy,ADA,Decoy,0,-7.32511,-7.44,-1.98,-7.186823471836895
C[C@@H](C[NH3+])CNS(=O)(=O)N1CCOCC1,C54140472_decoy,ADA,Decoy,0,-7.4565,-5.19,-0.4,-5.947315060042022
[NH3+]Cc1nccnc1N1CCN(CCO)CC1,C54377327_decoy,ADA,Decoy,0,-8.23709,-5.61,-0.06,-7.016229740559811
N#Cc1nccnc1NC1CC[NH+](CC(N)=O)CC1,C54377553_decoy,ADA,Decoy,0,-8.13111,-6.88,-0.11,-7.183863872323029
C[NH+](C)C1CCN(C(=O)c2n[nH]c(N)n2)CC1,C55165046_decoy,ADA,Decoy,0,-7.55461,-7.23,0.05,-7.240173805622127
C[C@@H](C(=O)N1CCCCC1)N(CC(N)=O)C1CC[NH2+]CC1,C37543391_decoy,ADA,Decoy,0,-7.74368,-7.08,-0.74,-7.368120815570051
NC(=O)COc1cccn(C[C@@H]2CCC[NH2+]C2)c1=O,C57871752_decoy,ADA,Decoy,0,-7.52819,-6.43,0.43,-5.812463008181088
[NH3+]C[C@H]1CCN(CC(=O)N[C@@H]2CCS(=O)(=O)C2)C1,C50247235_decoy,ADA,Decoy,0,-7.30447,-6.98,-0.03,-7.129464226246544
CC[NH2+]CCC(=O)N1CCN(S(N)(=O)=O)CC1,C61297196_decoy,ADA,Decoy,0,-9.09625,-6.15,-0.47,-6.853233237496901
CC1CC[NH+](Cc2c(O)c(=O)cc(CO)n2CCO)CC1,C62382990_decoy,ADA,Decoy,0,-7.67431,-7.59,-1.35,-7.786314943441114
Nc1c[nH]nc1C(=O)N1CC[NH+]2CCC[C@H]2C1,C62811490_decoy,ADA,Decoy,0,-7.18472,-6.72,-0.43,-6.158625884438231
CN(C(=O)c1n[nH]cc1N)[C@@H]1CCC[NH+](C)C1,C62812206_decoy,ADA,Decoy,0,-7.54478,-6.54,-0.9,-8.111246920562385
CCNC(=O)CN(CC)C(=O)[C@@H]1C[NH2+]CCN1,C62813172_decoy,ADA,Decoy,0,-6.09901,-4.78,-0.52,-4.710325291155886
CCN(CC(=O)NC)C(=O)[C@@H]1C[NH2+][C@H](C)CN1,C62814858_decoy,ADA,Decoy,0,-6.05112,-5.31,-0.89,-5.000944791061596
CCN(CC(=O)NC)C(=O)[C@@H]1C[NH2+][C@@H](C)CN1,C62814860_decoy,ADA,Decoy,0,-6.12827,-5.23,-0.35,-5.129271023554443
CCNC(=O)CN(C)C(=O)[C@H]1C[NH2+][C@@H](C)CN1,C62815043_decoy,ADA,Decoy,0,-5.91134,-5.23,-0.24,-4.618608073718828
CCNC(=O)CN(CC)C(=O)[C@H]1C[NH2+][C@@H](C)CN1,C62815051_decoy,ADA,Decoy,0,-6.3691,-4.32,0.15,-4.353532692704238
[H]/N=C(/N)c1c(N2CC[C@H]([NH+](C)C)C2)nnc(C)c1C,C62965915_decoy,ADA,Decoy,0,-6.82043,-7.81,-1.05,-6.7505016995293605
C[NH+](C)[C@H]1CCN(C(=O)c2ccc(NN)nn2)C1,C62985065_decoy,ADA,Decoy,0,-7.16106,-6.75,-0.23,-6.4741117801339305
CN(CC1CC[NH+](C)CC1)C(=O)C/C(N)=N/O,C63125503_decoy,ADA,Decoy,0,-8.30985,-7.2,-0.91,-7.133295761560905
[NH3+][C@H]1CCC[C@@H]1NS(=O)(=O)C1CCS(=O)(=O)CC1,C63174979_decoy,ADA,Decoy,0,-7.63419,-5.56,-0.59,-4.82940017178279
Cc1cc(CS(=O)(=O)N[C@H]2CCC[C@H]2[NH3+])no1,C63175430_decoy,ADA,Decoy,0,-7.66745,-6.15,-0.38,-6.685538766192808
C[C@H]1CN(S(=O)(=O)N[C@@H]2CCC[C@@H]2[NH3+])C[C@H](C)O1,C63175731_decoy,ADA,Decoy,0,-8.04374,-7.11,-0.34,-7.198301207449581
Cc1nnc(NC(=O)CN2CCCC[C@@H]2[C@@H](C)[NH3+])o1,C63194763_decoy,ADA,Decoy,0,-7.2618,-7.33,-0.36,-7.050814602295196
O=C(NC1CC1)C1=C[C@H]2CN(Cc3c[nH]c[nH+]3)CCN2N1,C65397087_decoy,ADA,Decoy,0,-9.50563,-6.55,-1.34,-6.083929754186496
COC(=O)[C@H]1CCC[NH+](CC(=O)NC(N)=O)C1,C66835605_decoy,ADA,Decoy,0,-7.23642,-6.17,-0.02,-6.76934643000961
CCN(CC)C(=O)C[NH+]1C[C@@H](O)C[C@@H]1C(N)=O,C67129278_decoy,ADA,Decoy,0,-5.79886,-6.11,-0.61,-5.533518132746629
CNC(=O)C(=O)NC[C@H](c1ccco1)[NH+]1CCN(c2ccccc2F)CC1,C04273013_decoy,ADA,Decoy,0,-7.92949,-8.3,-0.57,-12.79714293494992
C[NH+](CC(=O)NN1C(=O)NC2(CCCCC2)C1=O)Cc1ccc(F)cc1,C06976526_decoy,ADA,Decoy,0,-7.51164,-8.73,-0.65,-7.779025800702007
COC(=O)c1c(NC(=O)C[NH+]2CCNC(=O)C2)sc2c1CCCCC2,C07844718_decoy,ADA,Decoy,0,-8.8912,-7.37,-0.87,-7.080636962138479
O=C(NC1CC1)[C@H]1C[NH+]2CC[C@H]1C[C@@H]2Cn1cc(C2(O)CCCCC2)nn1,C08299813_decoy,ADA,Decoy,0,-9.09108,-5.43,-0.75,-5.356026810651763
O=C(CN1C(=O)c2cccnc2Sc2ccccc21)NCCc1c[nH]c[nH+]1,C21163458_decoy,ADA,Decoy,0,-11.4106,-5.18,-2.02,-5.700498506621779
CN(C)C(=O)c1cc(NS(=O)(=O)c2ccccc2)ccc1N1CC[NH2+]CC1,C33121023_decoy,ADA,Decoy,0,-8.48004,-8.56,-0.8,-8.404856122115648
C=CC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2CC(N)=O)CCC4)CC1,C34747721_decoy,ADA,Decoy,0,-10.0331,-5.04,-0.64,-5.745187517605085
C=C(C)Cn1c(N2CC[NH+](CC(N)=O)CC2)nc2sc(C)c(C)c2c1=O,C34748602_decoy,ADA,Decoy,0,-9.48555,-8.15,-0.72,-9.042783805085651
C/C(NCC[NH+]1CCCCC1)=C1/C(=O)NC(=O)N(Cc2ccccc2)C1=O,C20334926_decoy,ADA,Decoy,0,-8.60984,-9.19,-1.8,-8.294153919330839
Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H](c1ccco1)[NH+]1CCCCCC1,C36090479_decoy,ADA,Decoy,0,-9.04618,-6.83,-2.79,-7.809650927314817
O=C(C[C@@H]1S/C(=N\N=C\C2=c3ccccc3=[NH+]C2)NC1=O)Nc1ccccc1,C39354270_decoy,ADA,Decoy,0,-9.07697,-9.68,-0.4,-11.410818763225777
CC(=O)c1ccc(NC(=O)C(=O)NCC(C)(C)N2CC[NH+](C)CC2)cc1,C41324036_decoy,ADA,Decoy,0,-8.70746,-6.54,-2.02,-5.955660709536123
C[C@H]1CCCC[NH+]1CCNC(=O)C(=O)Nc1ccccc1N1CCCC1=O,C41667260_decoy,ADA,Decoy,0,-7.99255,-7.94,-1.36,-9.835858620462346
COCCN1C(=O)[C@H]2[C@H](CC(C)C)[NH2+][C@@]3(C(=O)Nc4ccccc43)[C@H]2C1=O,C20566749_decoy,ADA,Decoy,0,-7.64193,-6.53,-2.17,-5.325015533493858
C[NH+]1CCN(c2ccccc2NC(=O)NCC(C)(C)N2CCOCC2)CC1,C43800805_decoy,ADA,Decoy,0,-8.20978,-7.31,-1.67,-6.31977870170909
C[NH2+]CCN1CCC(c2cnc3nc(-c4cccnc4OC)[nH]c3c2)CC1,C45284573_decoy,ADA,Decoy,0,-10.0624,-7.86,-0.74,-8.288705330684422
CCC[NH+]1CCC(NS(=O)(=O)c2c[nH]c(C(=O)N3CCCC3)c2)CC1,C45712648_decoy,ADA,Decoy,0,-9.83518,-8.41,-0.56,-9.092764469064
CCNC(=S)N1CCC2(CC1)[NH2+][C@H](C)C(=O)N2Cc1ccc2c(c1)OCO2,C35664997_decoy,ADA,Decoy,0,-8.54869,-8.5,-0.67,-7.99707667695103
CCCCNC(=O)[C@H]1CCC[NH+](CN2C(=O)N[C@]3(CCSC3)C2=O)C1,C50901631_decoy,ADA,Decoy,0,-8.47379,-6.63,-0.47,-6.058973638891476
Cc1ccc(C(=O)NC2CC[NH+](CN3C(=O)N[C@](C)(C4CC4)C3=O)CC2)s1,C50924129_decoy,ADA,Decoy,0,-8.90497,-6.76,0.07,-6.955694069110469
O=C(C[NH+](CC1CCCCC1)C1CC1)NC(=O)N[C@H]1CCS(=O)(=O)C1,C52244219_decoy,ADA,Decoy,0,-8.89667,-8.97,-1.05,-9.148541967048436
C[C@H](NC(=O)c1ccco1)C(=O)Nc1ccc(N2CCC[NH+](C)CC2)c(F)c1,C58082690_decoy,ADA,Decoy,0,-8.38717,-8.06,-0.88,-7.453721144808166
C[C@@H](NC(=O)Cn1cnc2ccccc2c1=O)c1[nH]cc(-c2ccccc2)[nH+]1,C58223424_decoy,ADA,Decoy,0,-7.21778,-7.84,-0.56,-7.774622994557542
C[C@H]1CCC[C@](CNC(=O)CN2C(=O)NC3(CCCC3)C2=O)([NH+](C)C)C1,C60410796_decoy,ADA,Decoy,0,-8.10462,-7.53,-0.57,-7.451132580909266
C[NH+](C)CCNC(=O)C1CCN(C(=O)Nc2ccc(C#N)c(Cl)c2)CC1,C62375548_decoy,ADA,Decoy,0,-9.09167,-6.32,-2.17,-5.729101327074384
O=C(NCCC1=c2ccccc2=[NH+]C1)[C@@H]1NC(C2=C[C@@H]3N=CC=C3C=C2)=NO1,C63303102_decoy,ADA,Decoy,0,-9.75646,-11.46,-1.13,-10.02034149057392
COc1cccc2c1=C[C@@H](C(=O)N[C@H](C(C)C)[C@@H]1NN=C3C=CC=CN31)[NH+]=2,C63315621_decoy,ADA,Decoy,0,-7.40638,-6.61,-1.28,-5.708994061967472
CCCN1C(=O)[C@H]([C@H]2NCCC3=c4ccccc4=[NH+][C@@H]32)[C@@H](O)N(CCC)C1=O,C63375732_decoy,ADA,Decoy,0,-9.27772,-5.67,-2.5,-5.689311645641686
C[NH+](CC(=O)Nc1cc(CC2CCCCC2)[nH]n1)[C@@H]1CCS(=O)(=O)C1,C63582647_decoy,ADA,Decoy,0,-8.6307,-6.53,-0.6,-7.07564373354712
CC(C)[NH+]1CC[C@H](CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@H]3C)C2=O)C1,C63707000_decoy,ADA,Decoy,0,-8.21476,-6.86,-0.14,-6.975347975199926
Cc1[nH]c(=O)[nH]c(=O)c1CCC(=O)N1CCC(C[NH+]2CCCCCC2)CC1,C63745672_decoy,ADA,Decoy,0,-8.66658,-9.48,-0.81,-8.628273134968179
O=C(CN1C(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C1=O)NCC(F)(F)F,C63786891_decoy,ADA,Decoy,0,-6.10592,-8.9,-0.7,-7.289281135619477
CC1CCC2(CC1)NC(=O)N(CC(=O)NC[C@H]1CC[NH+](C(C)C)C1)C2=O,C63836468_decoy,ADA,Decoy,0,-8.50627,-8.94,-0.9,-9.18656563149012
Cc1cc(C)c2nc(-c3cnc(N)nc3)cc(C(=O)N(C)CC[NH+](C)C)c2c1,C63869788_decoy,ADA,Decoy,0,-8.00798,-8.06,-0.8,-7.452354418236961
C[C@@H](C(=O)NC1CCCCC1)N1C(=O)N[C@H](CC2=c3ccccc3=[NH+]C2)C1=O,C63907379_decoy,ADA,Decoy,0,-8.3584,-10.4,-0.72,-9.713685324424262
CC1=C[C@@H](NC(=O)[C@@H]2CC(=O)N(CCC3=c4cc(C)ccc4=[NH+]C3)C2)NO1,C63948132_decoy,ADA,Decoy,0,-7.582,-9.41,-0.16,-7.776448348083432
Cc1csc(N2CCC[NH+](CC(=O)NNC(=O)c3cccs3)CC2)n1,C64636471_decoy,ADA,Decoy,0,-8.83218,-8.08,-0.66,-8.07197848795932
CC[C@@H]1CN(C(=O)C[NH+]2CCC(NC(=O)NC3CCCCC3)CC2)CCO1,C64954030_decoy,ADA,Decoy,0,-8.41329,-8.02,-1.49,-10.12405484956438
COCCNC1=[NH+]CCNC12CCN(S(=O)(=O)c1cccs1)CC2,C65074772_decoy,ADA,Decoy,0,-9.2225,-6.57,-0.55,-7.010314790378367
c1ccc([C@@H]2NC[NH+](Cc3nc[nH]n3)[C@@H]2c2ccc(-c3cncnc3)cc2)cc1,C65469455_decoy,ADA,Decoy,0,-8.08845,-9.01,-0.26,-8.439823670440703
CC[NH+]1CCN(c2ccc(NC(=O)NCCS(C)(=O)=O)c(C)c2)CC1,C65817369_decoy,ADA,Decoy,0,-8.376,-7.51,-0.99,-6.706706137869652
CC(C)C(=O)Nc1cccc(NC(=O)C(=O)N2CC[C@@H]([NH+]3CCCC3)C2)c1,C66223535_decoy,ADA,Decoy,0,-8.67271,-8.89,-0.45,-7.754243000219078
COC(=O)N1CCC(NC(=O)NCC2([NH+]3CCSCC3)CCCC2)CC1,C66363663_decoy,ADA,Decoy,0,-9.75508,-8.34,-1.5,-7.856737874545814
C[C@@H](N[C@H](C)c1ccc(N2CC[NH+](C)CC2)c(F)c1)C(=O)N1CCNC1=O,C66390699_decoy,ADA,Decoy,0,-8.53122,-7.8,-0.46,-7.307117316644601
CNC(=O)C[NH+]1CCC(NC(=O)[C@H](C(C)C)N2C[C@@H](C)O[C@@H](C)C2)CC1,C66915763_decoy,ADA,Decoy,0,-7.95242,-7.84,-1.28,-7.949299630059271
c1ccc2oc(-c3n[nH]cc3C[NH2+]Cc3nnc4n3CCCCC4)cc2c1,C67184147_decoy,ADA,Decoy,0,-8.36308,-9.53,-0.98,-7.439472485955771
CC1(C)NC(=O)N(CC(=O)NC[C@H]2CCC[NH+]2CC2CCCCC2)C1=O,C67201934_decoy,ADA,Decoy,0,-8.57113,-8.26,-2.88,-8.433581715925042
CC1CC[NH+]([C@H](C)CNC(=O)CN2C(=O)NC3(CCC(C)CC3)C2=O)CC1,C67272115_decoy,ADA,Decoy,0,-8.45766,-9.45,-0.35,-13.704108292120596
C[NH+](CC(=O)Nc1cc(CC2CCCCC2)[nH]n1)[C@H]1CCS(=O)(=O)C1,C67592254_decoy,ADA,Decoy,0,-9.29704,-7.63,-2.35,-7.87910660285455
CS(=O)(=O)N1CCC[C@@H](NC(=O)N[C@@H]2CC[NH+](Cc3ccccc3)C2)C1,C67624821_decoy,ADA,Decoy,0,-9.13197,-9.04,-2.09,-8.523334820546403
OCN(CO)c1nc(CCC(Br)(Br)Br)nc(N(CO)CO)n1,C01871634_decoy,ADA,Decoy,0,-10.8015,-6.95,-1.33,-9.135468232239306
COc1ccc(C(=O)Nc2ccccc2C(=O)N[C@@H](C(=O)NNC(=O)c2cccnc2)C(C)C)cc1,C06190718_decoy,ADA,Decoy,0,-7.73532,-9.19,-2.29,-7.980145322739412
Cc1ccc(S(=O)(=O)N[C@H](CC(C)C)C(=O)N[C@@H](C)c2ccc(S(N)(=O)=O)cc2)cc1,C09441909_decoy,ADA,Decoy,0,-9.79887,-7.28,-1.0,-7.1131599773140906
NC(=O)c1c(NC(=O)COC(=O)CCCNC(=O)c2ccc(Cl)cc2)sc2c1CCC2,C03379035_decoy,ADA,Decoy,0,-9.65299,-8.12,-0.53,-8.416688384154032
Cc1ccccc1C(=O)N[C@@H](C(=O)O[C@H](C)C(=O)Nc1ccc(S(N)(=O)=O)cc1)C(C)C,C09633505_decoy,ADA,Decoy,0,-9.86601,-7.24,-3.65,-8.380404396379614
CC(C)CN(C(=O)CSc1nnc(-c2ccccc2F)[nH]1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,C09837070_decoy,ADA,Decoy,0,-8.60487,-8.25,-2.24,-8.30038254409659
O=C(/C=C/c1cccc([N+](=O)[O-])c1)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1,C10450684_decoy,ADA,Decoy,0,-9.57978,-9.08,-3.15,-10.089965213314736
COc1ccccc1OCC(=O)NC(=S)NNC(=O)c1ccc(NC(=O)C2CC2)cc1,C12571702_decoy,ADA,Decoy,0,-9.46216,-8.89,-2.5,-8.861296098600537
CCCNC(=O)NC(=O)COC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1,C12979590_decoy,ADA,Decoy,0,-10.4739,-7.65,-0.78,-8.506028679328294
CCOC(=O)c1c(C)[nH]c(C(=O)N(CC(C)C)c2c(N)n(Cc3ccccc3)c(=O)[nH]c2=O)c1C,C13016326_decoy,ADA,Decoy,0,-8.08097,-5.78,-2.64,-6.04074544134829
CCCCn1c(N)c(N(CCOC)C(=O)c2ccc(NC(=O)c3cccs3)cc2)c(=O)[nH]c1=O,C13057701_decoy,ADA,Decoy,0,-9.18423,-7.53,-1.07,-7.542871563646257
COc1cc(OC)cc(C(=O)NNC(=O)CNC(=O)CNC(=O)c2ccc(Cl)cc2Cl)c1,C13131211_decoy,ADA,Decoy,0,-8.97871,-9.37,-2.23,-9.1316400841027
COc1ccc(/C=C/C(=O)NC(=S)NNC(=O)c2ccc(NC(=O)C3CC3)cc2)cc1OC,C13977389_decoy,ADA,Decoy,0,-10.3733,-9.2,-1.33,-8.666482045491334
CCCCn1c(N)c(N(Cc2ccccc2)C(=O)CC[C@H]2Cc3ccccc3NC2=O)c(=O)[nH]c1=O,C14849421_decoy,ADA,Decoy,0,-8.72241,-6.25,-1.65,-6.000601357208248
COc1cc(C(=O)NNC(=O)c2cc3c(s2)CC[C@@H](C(C)(C)C)C3)cc(OC)c1OCC(N)=O,C15760214_decoy,ADA,Decoy,0,-9.99537,-8.54,-2.07,-9.139289350032788
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)NNC(=S)NC[C@H]3CCCO3)c2)cc1,C15898845_decoy,ADA,Decoy,0,-8.96975,-8.34,-1.41,-7.0507365839275415
COc1cc(/C=C/C(=O)OCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)ccc1OCC(N)=O,C16286198_decoy,ADA,Decoy,0,-9.10161,-9.39,-1.36,-8.15150743563548
Nc1nc(COC(=O)CCNC(=O)CCC(=O)c2cccs2)nc(Nc2ccccc2)n1,C16368438_decoy,ADA,Decoy,0,-10.2248,-8.86,-2.72,-10.70725696883786
Cc1cc(NC(=O)[C@H](OC(=O)C[C@@H](NC(N)=O)c2ccc(Cl)cc2)c2ccccc2)no1,C16810644_decoy,ADA,Decoy,0,-10.7976,-9.3,-1.54,-10.068289051887591
Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)C(C)C)cc1,C18408544_decoy,ADA,Decoy,0,-10.1235,-7.89,-2.26,-8.485203539892991
Cc1ccc(S(=O)(=O)N[C@H](C(=O)OCC(=O)Nc2sccc2C(N)=O)C(C)C)cc1,C18408729_decoy,ADA,Decoy,0,-8.53211,-8.32,-2.02,-8.389058812743956
CCN(CC)c1ccc(/C=N/N2C(=O)c3cccc4c(NC(CO)(CO)CO)ccc(c34)C2=O)cc1,C19143518_decoy,ADA,Decoy,0,-11.1636,-7.97,-0.89,-8.546095782948077
COc1ccc([C@H]2C[C@@H](C(F)(F)F)n3ncc(C(=O)NNC(=S)NCc4ccco4)c3N2)cc1,C02794159_decoy,ADA,Decoy,0,-9.23342,-8.67,-1.12,-14.047854832542637
C=CCSc1ccccc1NC(=O)CSc1nnc(N/N=C/c2c(C)nn(C(C)C)c2C)n1N,C20911654_decoy,ADA,Decoy,0,-10.9741,-8.54,-1.34,-9.5360917176311
C[C@H](OC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)C(=O)Nc1cc([N+](=O)[O-])ccc1Cl,C20982246_decoy,ADA,Decoy,0,-9.50477,-9.5,-0.66,-13.150637198322285
CCOc1ccc(C(=O)NCC(=O)NNC(=S)NCCc2cccs2)cc1OCC,C21124211_decoy,ADA,Decoy,0,-10.2723,-7.95,-0.41,-9.293585948331735
C[C@@H](OC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1,C21126014_decoy,ADA,Decoy,0,-8.03015,-9.35,-1.7,-8.827630330665453
C[C@H](OC(=O)C[C@H](NC(N)=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(F)c([N+](=O)[O-])c1,C21126018_decoy,ADA,Decoy,0,-8.22696,-7.96,-1.07,-9.378555946288628
CC(=O)c1ccc(NC(=S)/N=C(\NCCSCc2nc[nH]c2C)Nc2nc(C)cc(C)n2)cc1,C14159242_decoy,ADA,Decoy,0,-10.098,-8.71,-2.0,-10.43599882642878
CCCCn1c(N)c(N(CC(=O)c2[nH]c(C)c(C(=O)OCC)c2C)Cc2ccccc2)c(=O)[nH]c1=O,C23186726_decoy,ADA,Decoy,0,-9.10629,-8.92,-2.37,-8.859917562294363
O=C(NNC(=S)NCc1ccc2c(c1)OCO2)c1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1,C25262453_decoy,ADA,Decoy,0,-10.6874,-8.7,-1.61,-8.667785492183125
N#Cc1ccc(Cl)cc1NC(=O)COC(=O)[C@@H](CCC(N)=O)NC(=O)c1ccc(F)cc1,C03291356_decoy,ADA,Decoy,0,-10.7546,-9.12,-1.19,-10.281051607157494
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@@H](C)NC(=O)C(C)(C)C)c1,C25464917_decoy,ADA,Decoy,0,-8.29367,-7.72,-2.55,-6.723596435029785
COc1ccccc1NS(=O)(=O)c1cccc(C(=O)NNC(=O)[C@H](C)NC(=O)C(C)(C)C)c1,C25464922_decoy,ADA,Decoy,0,-9.10355,-9.19,-2.98,-8.28583169055142
COCCOC(=O)c1c(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)sc(C(N)=O)c1C,C18323579_decoy,ADA,Decoy,0,-11.1447,-8.05,-1.07,-11.785508050362637
CCCN(C(=O)CC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1c(O)cc(O)cc1O,C36578543_decoy,ADA,Decoy,0,-9.24362,-8.05,-2.49,-10.9069583518463
COC(=O)[C@@H](Cc1ccccc1)NC(=O)c1ccc(NS(=O)(=O)c2ccc3[nH]c(=O)[nH]c3c2)cc1,C09715537_decoy,ADA,Decoy,0,-10.5325,-7.38,-1.08,-6.714656957097362
CCCCN1C(=O)N=C([O-])[C@H](N(C(=O)CSc2nc(C(C)(C)C)n[nH]2)C2CCCC2)[C@@H]1[NH3+],C38762966_decoy,ADA,Decoy,0,-10.6706,-5.73,-1.26,-6.887444834151808
CCOC(=O)c1c(C)[nH]c(C(=O)C(=O)NCc2ccc(S(N)(=O)=O)cc2)c1-c1ccc(F)cc1,C38790520_decoy,ADA,Decoy,0,-10.6679,-9.95,-1.28,-9.572816208511403
Cc1c(O)c(C)c2sc(NCc3ccc(S(=O)(=O)N(CCO)CCO)cc3)nc2c1C,C39127746_decoy,ADA,Decoy,0,-11.1252,-8.35,-0.96,-9.508983446560412
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)Nc2sc3c(c2C(N)=O)CCC3)C(C)C)cc1,C39210931_decoy,ADA,Decoy,0,-10.1232,-8.12,-2.47,-8.88912896708141
C=CCN1[C@@H](SCC(=O)NCCc2c[nH]c3ccccc23)NN[C@@H]1[C@@H]1CCS(=O)(=O)C1,C39450474_decoy,ADA,Decoy,0,-10.1644,-9.14,-4.24,-12.569323015521002
CCOc1cc(C[NH2+][C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1OCC(=O)NC(C)(C)C,C40721590_decoy,ADA,Decoy,0,-9.35189,-7.52,-1.39,-10.139174816096276
CCN(CC)S(=O)(=O)c1ccc(Nc2ncnc(NCCN3CCOCC3)c2N)cc1,C40759569_decoy,ADA,Decoy,0,-9.81982,-8.01,-1.82,-8.389927814024016
O=C(N/N=C/C=N/NC(=O)C(O)(c1ccccc1)c1ccccc1)C(O)(c1ccccc1)c1ccccc1,C03209676_decoy,ADA,Decoy,0,-8.6724,-10.97,-3.34,-9.116062809320225
Cc1c(Cl)cccc1NC(=S)NNC(=O)c1ccc(S(=O)(=O)NCCC#N)cc1,C46773545_decoy,ADA,Decoy,0,-11.0244,-8.08,-2.14,-8.66947558726387
CCS(=O)(=O)[N-]c1cccc(N2CCC([NH2+]CCc3ccc(S(N)(=O)=O)cc3)CC2)c1,C55344645_decoy,ADA,Decoy,0,-10.069,-9.02,-1.92,-8.252309859307703
O=C(COC(=O)c1ccccc1NCCO)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1,C09162543_decoy,ADA,Decoy,0,-10.4914,-8.69,-1.39,-8.107063347754005
CCc1ccc([C@@H]2NN=C(SCC(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C(=O)[O-])N2)cc1,C64684563_decoy,ADA,Decoy,0,-9.03024,-8.49,-0.73,-8.291246215011409
O=C(CNc1ccc(C(=O)NCc2ccco2)cc1)Nc1ccc(C(=O)NC[C@@H]2CCCO2)cc1,C66107927_decoy,ADA,Decoy,0,-9.46347,-9.38,-1.35,-8.60873893362613
c1ccc(C[NH2+][C@H]2CO[C@H]3[C@@H]2OC[C@@H]3Nc2nccc(-c3ccco3)n2)cc1,C05433938_decoy,ADA,Decoy,0,-7.17942,-7.61,-1.14,-6.018373011832861
Cc1nn(C)c(Cl)c1C[NH+]1CCC([C@@]2(CCC(C)C)NC(=O)NC2=O)CC1,C11788926_decoy,ADA,Decoy,0,-9.27168,-8.56,-0.92,-7.929459111725221
CC[C@@H]1C[NH+](CC(=O)N[C@H]2CCCCNC2=O)Cc2cc(OC)ccc2O1,C11964178_decoy,ADA,Decoy,0,-8.65391,-7.6,-2.55,-7.61401616711003
Cc1n[nH]c(C)c1CN(C)C(=O)C[C@@H]1C(=O)NCC[NH+]1CC1CCCCC1,C19836992_decoy,ADA,Decoy,0,-8.60091,-8.63,-0.87,-8.559835934440224
CC1=CC(=O)N2C(=NC(NCC[NH+]3CCCCC3)=N[C@H]2[C@H]2CC=CCC2)N1,C20556013_decoy,ADA,Decoy,0,-8.59233,-7.61,-2.12,-7.33300409196143
O=c1ccc(-c2ccc(S(=O)(=O)NCCC[NH+]3CCCCCC3)s2)n[nH]1,C20984891_decoy,ADA,Decoy,0,-10.5798,-6.71,-0.44,-6.825627631055618
CC1CC[NH+](CCNS(=O)(=O)c2ccc(-c3ccc(=O)[nH]n3)s2)CC1,C20984916_decoy,ADA,Decoy,0,-9.97812,-6.57,-1.5,-6.378784617628349
CC[NH+](CC(=O)NC(=O)NCC(F)(F)F)C[C@H]1COc2ccccc2O1,C31174435_decoy,ADA,Decoy,0,-6.12538,-7.26,-1.7,-6.378765214520489
Cc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)C[NH2+]Cc1ccco1,C06530507_decoy,ADA,Decoy,0,-8.65555,-7.91,-2.31,-7.65595757969737
CC[NH+](CC)[C@H](C)CNC(=O)C(=O)Nc1ccc2c(c1)OC1(CCCC1)O2,C41605973_decoy,ADA,Decoy,0,-8.85716,-6.02,-0.6,-6.671916330849417
C[NH+](C)[C@H](CNC(=O)C(=O)Nc1ccccc1-n1cccn1)C1CCCCC1,C41642221_decoy,ADA,Decoy,0,-8.16882,-8.12,-1.38,-8.139597324783047
CC1CC[NH+](CCCNC(=O)CN2C(=O)N[C@]3(CCCC[C@@H]3C)C2=O)CC1,C22695923_decoy,ADA,Decoy,0,-8.48078,-6.91,-1.33,-6.114373312098144
Cc1oc(-c2ccc(C(F)(F)F)cc2)nc1C[NH+]1CCC[C@H]1c1n[nH]c(=O)[nH]1,C43082544_decoy,ADA,Decoy,0,-7.75234,-8.27,-1.48,-8.574045780875009
C[NH+](C)[C@H](CNC(=O)NCCc1cc(F)cc2c1OCOC2)c1ccco1,C43137944_decoy,ADA,Decoy,0,-7.565,-7.66,-2.56,-7.383232200333542
O=C(NC[C@@H]1COc2ccccc2O1)NC[C@H](c1ccco1)[NH+]1CCCCC1,C46728383_decoy,ADA,Decoy,0,-8.09132,-8.99,0.03,-8.983850616886532
Cc1ccnc(NC(=O)C2CC[NH+]([C@@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CC2)c1,C47261859_decoy,ADA,Decoy,0,-8.03321,-8.7,-1.66,-7.512447940686559
O=C(NC[C@H](c1ccco1)[NH+]1CCCC1)C(=O)Nc1ccc(N2CCCC2)cc1,C48768427_decoy,ADA,Decoy,0,-9.45568,-8.51,0.07,-8.608861610484487
CC(C)C[C@@H](CNS(=O)(=O)c1ccc2[nH]c(=O)oc2c1)[NH+]1CCCC1,C49737561_decoy,ADA,Decoy,0,-9.22547,-7.16,-1.07,-7.431813731350832
CCNC(=O)CN1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1,C52587937_decoy,ADA,Decoy,0,-9.01047,-8.1,-1.12,-8.254764483996805
CC(C)NC(=O)CN1CCN(C(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)CC1,C52588403_decoy,ADA,Decoy,0,-9.31839,-7.19,-0.44,-6.938611246138851
C[C@@H](c1ccccc1)[NH+]1CC[C@H](NC(=O)CNC(=O)c2ccc3c(c2)OCO3)C1,C54225184_decoy,ADA,Decoy,0,-7.35353,-9.03,-0.33,-6.679216641641745
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)N2CC[NH+](CC3CC3)CC2)cc1,C54579985_decoy,ADA,Decoy,0,-9.3785,-5.9,-1.41,-6.038151200824673
C[C@@H]1C[C@@H](C)C[NH+](C[C@@H](C)NC(=O)N2CCN(CC(=O)NC3CC3)CC2)C1,C56946361_decoy,ADA,Decoy,0,-8.44768,-8.57,-3.9,-9.195195986118703
C[C@H]1CCCC[NH+]1CC(=O)NN1C(=O)N[C@](C)(CCc2ccccc2)C1=O,C07525320_decoy,ADA,Decoy,0,-8.11554,-7.93,-1.06,-6.672658886095062
Cc1cc(NC(=O)C2CC[NH+]([C@H](C)C(=O)Nc3cc(F)ccc3C)CC2)no1,C42642020_decoy,ADA,Decoy,0,-7.58087,-8.7,-0.61,-6.818487109004689
C[NH+](C)[C@H](CNC(=O)N[C@H]1CCCN(c2ncccn2)C1)c1cccs1,C43144330_decoy,ADA,Decoy,0,-8.68342,-8.0,-1.22,-7.732378209597485
C[C@H]1CCC[C@@](CNC(=O)CCn2c(=O)[nH]c(=O)c3ccccc32)([NH+](C)C)C1,C59890923_decoy,ADA,Decoy,0,-8.18848,-7.91,-0.67,-7.8168116424170915
O=C(NCC[NH+]1CCCCC1)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1,C60154929_decoy,ADA,Decoy,0,-9.03782,-8.16,-1.08,-8.544150772236833
N/C(=[NH+]\C1CCCC1)SCc1nnnn1-c1ccc(OC(F)F)cc1,C60511484_decoy,ADA,Decoy,0,-9.18616,-7.8,-1.49,-8.230099853104454
C[C@H](C(=O)N[C@@H]1CCCC[C@@H]1C)N1C(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C1=O,C63907389_decoy,ADA,Decoy,0,-8.65153,-10.84,-1.26,-9.339555694525526
C[NH+](C)C(C)(C)CNC(=O)NCC1CCN(S(=O)(=O)c2ccccc2)CC1,C64253888_decoy,ADA,Decoy,0,-8.14621,-6.85,-0.97,-6.598452433216837
O=C(C[NH+](Cc1ccco1)C[C@@H]1CCCO1)NC(=O)NC1CCCCC1,C64482659_decoy,ADA,Decoy,0,-8.88801,-8.34,-2.21,-9.069735846909165
CN(CC1=CN(c2ccccc2)N[C@@H]1c1ccc2c(c1)OCO2)Cc1[nH]cc[nH+]1,C64636352_decoy,ADA,Decoy,0,-8.06037,-9.08,-0.49,-12.120243594436127
CNC(=O)c1ccc(NCc2ccc(C[NH+]3CCCC3)cc2)c([N+](=O)[O-])c1,C64905151_decoy,ADA,Decoy,0,-8.26489,-7.48,-0.74,-6.378830906423952
C[C@H]1CCC[C@H](NC(=O)CN2CC[NH+](Cc3nc4ccccc4c(=O)[nH]3)CC2)C1,C66567132_decoy,ADA,Decoy,0,-9.03066,-3.41,-1.73,-5.0704505562537445
CC[NH+]1CCC(NC(=O)N2CCN(CC(=O)N[C@H]3CCC[C@H](C)C3)CC2)CC1,C66697631_decoy,ADA,Decoy,0,-9.11521,-9.04,-2.2,-8.417071480799414
C[C@H]1CCC[C@H](NC(=O)CN2CCN(C(=O)NCC3CC[NH+](C)CC3)CC2)C1,C66703875_decoy,ADA,Decoy,0,-8.99804,-7.1,-1.56,-6.912338680362215
Cc1nn(C)c(C)c1NC(=O)C[NH+]1CCC(NC(=O)CC2CCCCC2)CC1,C66886495_decoy,ADA,Decoy,0,-8.74469,-9.05,-0.72,-8.49832124818603
Cc1cc(NC(=O)[C@@H](C)[NH+]2CCC(NC(=O)CC3CCCCC3)CC2)on1,C66902634_decoy,ADA,Decoy,0,-8.38284,-8.75,-0.82,-8.593106949499084
O=C(CC1CCCC1)NC1CCN(C(=O)NCc2cn3c([nH+]2)CCCC3)CC1,C66926163_decoy,ADA,Decoy,0,-8.95605,-9.71,-1.22,-8.085143271817364
CNS(=O)(=O)c1cccc(C[NH2+]Cc2ccc(Cl)c([N+](=O)[O-])c2)c1,C66988896_decoy,ADA,Decoy,0,-7.09394,-7.57,-1.5,-6.464285478177829
c1cc2c(cc1C[NH2+]Cc1c[nH]nc1-c1ccc3c(c1)OCCO3)OCCCO2,C67011255_decoy,ADA,Decoy,0,-7.75258,-10.04,-1.83,-12.560013155243729
Cc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)[NH+](C)C)cc1,C67268336_decoy,ADA,Decoy,0,-8.18917,-9.14,-0.95,-8.680449972234264
Cc1ccc([C@@H](CNC(=O)CN2C(=O)N[C@@](C)(C3CC3)C2=O)[NH+](C)C)cc1,C67268340_decoy,ADA,Decoy,0,-8.04246,-8.16,-0.47,-8.462480308581013
CC1CC[NH+]([C@@H](C)CNC(=O)CN2C(=O)N[C@@]3(CCCC[C@@H]3C)C2=O)CC1,C67272889_decoy,ADA,Decoy,0,-8.73368,-8.36,-1.18,-13.161726406256964
Cc1occc1C(=O)NC1CCN(C(=O)NCCC[NH+]2CCCC[C@H]2C)CC1,C67358581_decoy,ADA,Decoy,0,-8.54226,-6.68,-1.07,-5.475936891529909
CC(C)(C)OC(=O)N(CCNC(=O)N[C@@H]1CC[NH+]2CCCC[C@H]12)C1CC1,C67391692_decoy,ADA,Decoy,0,-8.29375,-6.32,-2.04,-6.596377986090621
CC(C)(C)OC(=O)N(CCNC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)C1CC1,C67391693_decoy,ADA,Decoy,0,-7.99084,-6.15,-1.09,-5.718814289160938
Cc1occc1C(=O)NC1CCN(C(=O)N[C@@H](C)C[NH+]2CCC[C@H](C)C2)CC1,C67410442_decoy,ADA,Decoy,0,-8.48255,-7.65,-0.63,-6.434534472192314
O=C(NCc1nnc2n1CCCC2)NC[C@H]1CCC[NH+]1CC1CCCCC1,C67479830_decoy,ADA,Decoy,0,-8.46724,-9.56,-1.04,-8.545728142265835
O=C1CCC(C(=O)N[C@H]2CCC[NH+](CC3CCCCC3)C2)=NN1,C12091641_decoy,ADA,Decoy,0,-8.58895,-7.27,-0.72,-7.405881845785605
CC[NH+]1CCC(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)CC1,C14166830_decoy,ADA,Decoy,0,-8.19761,-7.83,-1.43,-6.682428695789992
CCN1[C@@H](C[NH3+])CN(c2ccc(OC(C)C)cc2)S1(=O)=O,C19724320_decoy,ADA,Decoy,0,-7.57229,-4.93,-0.31,-5.206404776786622
CC(C)C[C@@H]([NH3+])C(=O)N1CCN(C(=O)OC(C)(C)C)CC1,C19976411_decoy,ADA,Decoy,0,-7.56607,-3.33,-0.34,-3.868760697588832
[NH3+]CCc1c(-c2ccc(F)cc2)nc2ccc([N+](=O)[O-])cn12,C20342657_decoy,ADA,Decoy,0,-6.61937,-2.48,0.14,-2.4930809910386698
O=C(CN1CCN(C(=O)Nc2ccccc2)CC1)[C@H]1CCC[NH2+]1,C34799443_decoy,ADA,Decoy,0,-8.20376,-8.96,-0.29,-8.635358912206263
Cc1cc(CS(=O)(=O)N[C@@H]2CC[NH2+]C3(CCC3)C2)no1,C36266072_decoy,ADA,Decoy,0,-7.83753,-5.58,-0.78,-4.95172442023286
O=S(=O)(Nc1ccc(N2CC[NH2+]CC2)cc1)N1CCCC1,C36284350_decoy,ADA,Decoy,0,-8.83979,-7.08,-0.55,-6.478785789959802
C[NH+](C)C(C)(C)CNS(=O)(=O)c1ccc2c(c1)CC(=O)N2,C36091379_decoy,ADA,Decoy,0,-8.37986,-7.16,-1.16,-7.453725044657113
CCOC1(OCC)[NH+]=C(N)[C@]2(C#N)C3(CCCCC3)[C@]12C#N,C19848408_decoy,ADA,Decoy,0,-7.91599,-6.46,-0.94,-8.13837197710551
O=C(O/C=C1/NO[C@@H](c2ccsc2)N1)C1=c2ccccc2=[NH+]C1,C38792916_decoy,ADA,Decoy,0,-7.48461,-8.78,-0.18,-7.177401210760771
CC[C@@H](C)C(=O)N1C[C@H](C(=O)NCc2ccco2)C2(CC[NH2+]CC2)C1,C39654819_decoy,ADA,Decoy,0,-8.18675,-7.99,-1.02,-9.55542594402692
CC[C@@H](C)C(=O)N1C[C@H](C(=O)NC[C@H]2CCCO2)C2(CC[NH2+]CC2)C1,C39658781_decoy,ADA,Decoy,0,-8.38482,-5.57,-1.2,-5.276026836680964
O=[N+]([O-])c1c(Br)ccnc1NCCC1CC[NH2+]CC1,C39956568_decoy,ADA,Decoy,0,-6.82207,-5.51,-1.22,-4.91134530213616
CC(=O)Nc1ccc(C(=O)N/N=C/C2=c3ccccc3=[NH+]C2)cc1,C39976722_decoy,ADA,Decoy,0,-8.45842,-5.91,-0.48,-5.2284796489487935
Cc1n[nH]c(C)c1S(=O)(=O)NCC[NH+]1CCC(C)CC1,C40446603_decoy,ADA,Decoy,0,-7.81247,-6.48,-1.66,-6.675836096412239
CC[C@H]1CCC[NH+](CC(=O)/C(C#N)=C2/NC(=O)c3ccccc3N2)C1,C30143893_decoy,ADA,Decoy,0,-9.64732,-9.73,-1.25,-9.735620471041807
C[NH+](C)C1(CNS(=O)(=O)c2ccc(=O)[nH]c2)CCCCC1,C40808200_decoy,ADA,Decoy,0,-8.46605,-5.86,-0.6,-5.508899504985728
C[NH+](C)CCNC(=O)[C@]1(C)Oc2ccc(Cl)cc2NC1=O,C41548529_decoy,ADA,Decoy,0,-7.5719,-7.31,-0.77,-7.58977189429632
C[C@@H]1CCC[NH+]([C@@H](C)CNC(=O)C(=O)Nc2ccc(C#N)cc2)C1,C41651798_decoy,ADA,Decoy,0,-7.97291,-6.89,-0.84,-5.633532285937775
Cc1nnc(NC(=O)NCC2([NH+](C)C)CCCCC2)s1,C43412860_decoy,ADA,Decoy,0,-6.96364,-7.95,-0.6,-6.972629271282804
NC(=O)[C@@H]1CCCC[NH+]1CC(=O)N1CCC(c2ccccc2)=N1,C44871310_decoy,ADA,Decoy,0,-6.59026,-7.32,-0.46,-6.150477370067902
Cc1cccc(NC(=O)[C@@H]2CCC[NH+](CC(=O)NC3CCCC3)C2)n1,C47260883_decoy,ADA,Decoy,0,-8.58959,-8.29,-2.98,-8.298455203840652
C[NH+](C)[C@@H](CNC(=O)N1CCNC(=O)C1)c1cccs1,C48731107_decoy,ADA,Decoy,0,-7.47784,-7.33,-0.29,-7.754554739324958
C[C@H]1CCC[NH+](C(C)(C)CNC(=O)Nc2nncs2)C1,C48909649_decoy,ADA,Decoy,0,-8.90616,-7.15,-2.05,-8.043932971721764
CCN([C@@]1(C[NH3+])CCC[C@H](C)C1)S(=O)(=O)c1cnn(C)c1,C50252443_decoy,ADA,Decoy,0,-7.08587,-6.65,-0.28,-6.67213940247138
CC(=O)NCC1CC[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCC4)CC1,C52848660_decoy,ADA,Decoy,0,-8.90336,-7.63,-0.89,-6.740648333265257
O=C(CN1CC[NH+](CC2CC2)CC1)NC(=O)NC1CCCC1,C53237175_decoy,ADA,Decoy,0,-7.82585,-6.6,-0.65,-6.4989435250683725
C[NH+](C)C(C)(C)CNC(=O)N1CCC(C(=O)NC2CC2)CC1,C56795078_decoy,ADA,Decoy,0,-7.65502,-4.83,-0.89,-4.595348605713078
CC[NH+]1CCC[C@@H](NC(=O)Nc2nnc(C(F)F)s2)C1,C57292758_decoy,ADA,Decoy,0,-6.774,-5.8,-1.86,-5.374789308278546
O=C(C[NH+]1CCC[C@H](O)C1)NCC1(N2CCOCC2)CCCCC1,C58013764_decoy,ADA,Decoy,0,-9.8599,-7.63,-1.8,-8.674794446217467
O=C1CCc2cc(OCC(=O)N[C@H]3CC[NH+]4CCCC[C@@H]34)ccc2N1,C60567605_decoy,ADA,Decoy,0,-8.62177,-9.2,-0.43,-8.65234423450274
CC(C)CCN1C(=O)CC[C@H]([NH3+])[C@@H]1c1cccc([N+](=O)[O-])c1,C62213240_decoy,ADA,Decoy,0,-6.72961,-7.51,-0.97,-8.024596857286525
Cc1ccccc1-c1c(C[NH3+])nnn1Cc1c(C)noc1C,C62314822_decoy,ADA,Decoy,0,-7.3379,-5.23,-0.71,-4.72034067265947
CC[C@@]1(C(=O)Nc2cc([N+](=O)[O-])c(F)cc2F)CC[NH2+]C1,C62893164_decoy,ADA,Decoy,0,-5.96823,-7.69,-0.32,-5.8513549136150935
C[NH2+]C[C@@H]1CCCCN1S(=O)(=O)c1sc(=O)[nH]c1C,C63168099_decoy,ADA,Decoy,0,-7.06973,-6.81,-0.05,-5.76357929937129
CC(C)(C)N1CCC[NH+](CC(=O)NC(=O)NCC(F)(F)F)CC1,C64010005_decoy,ADA,Decoy,0,-6.81827,-5.3,-0.54,-4.676554587404742
Cc1nsc(N)c1C(=O)O[C@H](C)C(=O)C1=c2ccccc2=[NH+][C@@H]1C,C64148390_decoy,ADA,Decoy,0,-7.69014,-9.19,-0.24,-8.34488569991204
CCNC(=O)[C@H]1CCCN(C(=O)N[C@H]2CCC[NH+](CC)C2)C1,C64226454_decoy,ADA,Decoy,0,-8.24127,-7.1,-2.13,-6.885248054079764
O=C(CCNC(=O)N1CCC[NH+](C2CC2)CC1)NC1CCCC1,C64226824_decoy,ADA,Decoy,0,-7.63568,-7.7,-2.41,-7.461914137377921
O=C1C[C@@H]([NH2+]C[C@H]2CNc3ccnn3C2)CN1c1ccccc1,C58314881_decoy,ADA,Decoy,0,-7.97371,-4.94,-0.33,-4.194145085006897
Cc1c[nH]c(CN2CCC(N3CC(C4CCCC4)=NN3)CC2)[nH+]1,C64626322_decoy,ADA,Decoy,0,-8.89032,-8.7,-0.19,-10.716177795579991
C[C@@H](NC(=O)[C@@H]1COc2ccccc2O1)c1[nH]cc(-c2ccccc2)[nH+]1,C58223347_decoy,ADA,Decoy,0,-7.75894,-10.38,-0.52,-10.021840642267492
CC1CC[NH+]([C@H](C)CNC(=O)N2CCC(C(=O)NC3CC3)CC2)CC1,C65479179_decoy,ADA,Decoy,0,-8.79692,-6.79,-0.86,-6.49665996209261
CN1C[C@H]2C[NH2+]C[C@@]2(C(=O)NC[C@H]2C=NN=C2c2cccs2)C1,C65527527_decoy,ADA,Decoy,0,-9.11331,-7.36,-1.25,-9.11597118435537
CC[NH+]1CCC[C@H](NC(=O)N2CCC(NC(=O)C3CCC3)CC2)C1,C66187591_decoy,ADA,Decoy,0,-8.28276,-4.36,-1.28,-4.57883217531324
N#CCNC(=O)C[NH+]1CCC(C(=O)Nc2ccc(F)cc2)CC1,C66497818_decoy,ADA,Decoy,0,-7.7485,-6.89,-0.41,-6.802946577713838
NC(=O)[C@@H]1CCC[NH+]1CC(=O)N1CCC(c2ccccc2)=N1,C66560539_decoy,ADA,Decoy,0,-6.61863,-8.03,0.25,-7.540954083710416
C[C@H](NC(=O)C1CCOCC1)C(=O)N[C@H]1CC[NH+](C2CCCC2)C1,C66838997_decoy,ADA,Decoy,0,-8.49597,-7.29,-0.18,-6.536853613119429
CC(C)=CCCN1C(=O)N[C@@](c2cccnc2)(C2CC[NH2+]CC2)C1=O,C67458539_decoy,ADA,Decoy,0,-8.33498,-7.59,-0.76,-8.331018172086868
COc1cc(NC(=S)NN2CC[NH+](C)CC2)cc(OC)c1OC,C04838092_decoy,ADA,Decoy,0,-8.66594,-6.68,-0.82,-7.124880757747489
CNC(=O)NC(=O)[C@H](C)[NH+]1CCN(C(=O)CCC2CCCC2)CC1,C27121903_decoy,ADA,Decoy,0,-7.90645,-8.21,-1.51,-7.358077230977482
N/C(=[NH+]\C[C@@H]1CCCO1)SCc1nnnn1-c1ccccc1,C29481058_decoy,ADA,Decoy,0,-9.12431,-7.97,-0.53,-10.49062366241194
CCOC(=O)[C@@H]1CSCC[NH+]1CC(=O)NC(=O)NC(C)C,C31579225_decoy,ADA,Decoy,0,-7.7304,-4.43,-0.07,-4.804185562489665
O=C1NCCN1CC[NH2+]CC1=CN=N[C@@H]1c1cc2ccccc2o1,C39412716_decoy,ADA,Decoy,0,-7.54794,-4.98,-0.74,-4.4532311922165615
O=c1[nH]c2ccccc2n1CC[C@H]1[NH+]=C(C[C@@H]2CCCO2)NO1,C39508581_decoy,ADA,Decoy,0,-6.96019,-7.36,0.22,-6.236364832894445
Cc1ccc(NC(=S)NN2CC[NH+](C)CC2)c([N+](=O)[O-])c1,C39974894_decoy,ADA,Decoy,0,-6.79762,-6.94,-0.58,-6.543171119188996
C[NH+]1CCN(C(C)(C)CNC(=O)Nc2nnc(C3CC3)s2)CC1,C43359756_decoy,ADA,Decoy,0,-8.31917,-7.5,-0.74,-10.605332979549033
CS(=O)(=O)c1ccc(NC[C@H]2CCCC[NH2+]2)c([N+](=O)[O-])c1,C44493016_decoy,ADA,Decoy,0,-7.35372,-5.59,-1.05,-4.561422931381052
Cc1c([N+](=O)[O-])cccc1S(=O)(=O)NC[C@@H]1CCC[NH2+]C1,C44502569_decoy,ADA,Decoy,0,-7.01571,-5.82,-1.2,-5.084096721204282
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1CCC[NH2+]C1,C44502575_decoy,ADA,Decoy,0,-7.81508,-7.26,-0.68,-6.715324592984245
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)NCC1CC[NH2+]CC1,C44509074_decoy,ADA,Decoy,0,-7.1433,-7.35,-0.14,-7.217635531721998
C=CCNC(=O)CN1CC[NH+](Cc2nc3ccccc3c(=O)[nH]2)CC1,C45606597_decoy,ADA,Decoy,0,-7.88599,-8.54,-0.65,-8.01495535984183
C[NH+](C)[C@@H](CNC(=O)C(=O)Nc1ccc(C#N)cc1)c1ccco1,C48732327_decoy,ADA,Decoy,0,-7.60628,-6.68,-0.4,-5.633633776356387
O=[N+]([O-])c1ccc(CNS(=O)(=O)C[C@H]2CCC[NH2+]C2)cc1,C49644082_decoy,ADA,Decoy,0,-7.00883,-7.66,-0.44,-6.943683392318244
O=[N+]([O-])c1ccc(CCNS(=O)(=O)C[C@@H]2CCC[NH2+]2)cc1,C49644327_decoy,ADA,Decoy,0,-8.16885,-7.49,-0.53,-8.007257485712591
O=[N+]([O-])c1ccccc1CS(=O)(=O)NC[C@H]1CCC[NH2+]C1,C50102231_decoy,ADA,Decoy,0,-6.58686,-7.18,-2.07,-6.524770540229582
C[C@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@@H]1CCC[NH2+]C1,C50163257_decoy,ADA,Decoy,0,-7.50263,-6.12,-0.55,-5.0764000754081975
C[C@@H](NS(=O)(=O)c1cccc([N+](=O)[O-])c1)[C@H]1CCC[NH2+]C1,C50163260_decoy,ADA,Decoy,0,-7.34434,-7.77,-0.66,-7.344541836038464
C[C@H](NS(=O)(=O)c1ccccc1[N+](=O)[O-])[C@H]1CCC[NH2+]C1,C50163263_decoy,ADA,Decoy,0,-7.06232,-5.26,-0.93,-4.55222301806565
CCNc1ncc(S(=O)(=O)N[C@H]2C[NH+]3CCC2CC3)cn1,C50641374_decoy,ADA,Decoy,0,-8.6753,-4.97,-0.05,-5.611147785776204
C[NH+](CC(=O)NC(=O)N[C@@H]1CCS(=O)(=O)C1)C(C1CC1)C1CC1,C51579757_decoy,ADA,Decoy,0,-8.07228,-7.75,-0.56,-8.453850145466571
C[C@@H](c1ccc(S(N)(=O)=O)cc1)[NH+](C)Cc1noc(C2CC2)n1,C53603832_decoy,ADA,Decoy,0,-9.14836,-7.13,-1.86,-8.402632296800737
CC[NH+]1CCC[C@H]1CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2,C55175500_decoy,ADA,Decoy,0,-8.57928,-6.27,-0.73,-5.908936040561192
CC[NH+](CC(=O)NC)CC(=O)NC[C@@H]1COc2ccccc2O1,C56510052_decoy,ADA,Decoy,0,-7.02991,-7.31,-0.76,-7.475077909911589
CC[NH+](CC(=O)NC)CC(=O)NC[C@H]1COc2ccccc2O1,C56510053_decoy,ADA,Decoy,0,-7.07811,-6.87,-1.37,-6.787646282426874
CC(C)CNC(=O)NC(=O)CN1CC[NH+](C[C@H]2CCCO2)CC1,C57884418_decoy,ADA,Decoy,0,-8.03456,-4.77,-0.68,-5.688989482295273
CC[NH+](CC(=O)c1c(N)n(C)c(=O)n(C)c1=O)C1CCCCC1,C27284862_decoy,ADA,Decoy,0,-7.63449,-7.99,-1.16,-8.254919807850415
COc1cccc(-c2c(C[NH3+])nnn2Cc2c(C)noc2C)c1,C62314835_decoy,ADA,Decoy,0,-9.22621,-7.42,-0.6,-8.253079991800028
CC[C@@H](c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@@H](C)[NH3+],C63034902_decoy,ADA,Decoy,0,-6.45794,-6.62,-0.12,-6.310393675876148
CC[C@H](c1ccc(S(=O)(=O)N(C)C)cc1[N+](=O)[O-])[C@@H](C)[NH3+],C63034903_decoy,ADA,Decoy,0,-7.59095,-6.73,-1.33,-7.333693295655523
Cc1noc(N)c1C(=O)O[C@H](C)C(=O)C1=c2ccccc2=[NH+]C1,C64156052_decoy,ADA,Decoy,0,-7.79516,-8.36,-0.58,-10.259230962620371
O=C(NCC1=NN=CC1)NC[C@@H]([C@@H]1CC=CO1)[NH+]1CCCCC1,C64261663_decoy,ADA,Decoy,0,-7.26376,-5.48,-1.57,-5.1864900596609855
Cc1[nH]c[nH+]c1[C@H]1C(c2ccccc2)=NCN1CCNS(C)(=O)=O,C65430426_decoy,ADA,Decoy,0,-9.76673,-7.74,-1.73,-8.373061416107443
C[C@H](O)CNC(=O)C1CC[NH+](Cc2noc(C(C)(C)C)n2)CC1,C65435162_decoy,ADA,Decoy,0,-7.97382,-7.12,-1.5,-6.455816906998967
C[C@@H](O)CNC(=O)C1CC[NH+](Cc2noc(C(C)(C)C)n2)CC1,C65435165_decoy,ADA,Decoy,0,-7.55119,-7.02,-0.75,-6.145328307760347
Cc1noc(CNC(=O)NC[C@H](C2CCCCC2)[NH+](C)C)n1,C66150576_decoy,ADA,Decoy,0,-7.67884,-7.04,-0.57,-7.120744027999372
Cc1noc(CNC(=O)NCCC[NH+](C)C2CCCCC2)n1,C66178837_decoy,ADA,Decoy,0,-7.66796,-7.67,-0.75,-7.065946891202877
Cc1noc(CNC(=O)NC[C@@]2([NH+](C)C)CCC[C@H](C)C2)n1,C66187637_decoy,ADA,Decoy,0,-7.53651,-8.0,-0.56,-7.65758902653584
Cc1noc(CNC(=O)NC[C@]2([NH+](C)C)CCC[C@@H](C)C2)n1,C66187638_decoy,ADA,Decoy,0,-7.34447,-7.84,-1.76,-7.212959996916194
Cc1noc(CNC(=O)NCC(C)(C)[NH+]2CCC[C@H](C)C2)n1,C66187977_decoy,ADA,Decoy,0,-7.4726,-7.68,-0.95,-6.671473804878424
Cc1noc(CNC(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)n1,C66187978_decoy,ADA,Decoy,0,-8.11935,-8.13,-2.76,-7.272731570154431
CC[C@@H](C)[NH+](C)CCNC(=O)NC1CCN(C(=O)OC)CC1,C66188751_decoy,ADA,Decoy,0,-7.42162,-6.74,-1.32,-6.822722020559732
CC[C@H](C)[NH+](C)CCNC(=O)NC1CCN(C(=O)OC)CC1,C66188752_decoy,ADA,Decoy,0,-7.41677,-7.27,-0.76,-7.505396033725255
CC[NH+](CC)[C@@H](C)CNC(=O)NC1CCN(C(=O)OC)CC1,C66363085_decoy,ADA,Decoy,0,-7.18939,-7.2,-0.66,-7.457207949330222
C=CC[NH+](CC(=O)NC(=O)NCC(C)C)[C@@H]1CCS(=O)(=O)C1,C66559739_decoy,ADA,Decoy,0,-8.65037,-4.69,-1.89,-5.5349308954452034
C=CC[NH+](CC(=O)NC(=O)NC(C)(C)C)[C@@H]1CCS(=O)(=O)C1,C66561331_decoy,ADA,Decoy,0,-7.56466,-4.83,-1.3,-4.919911432716237
CC[NH+]1CCC(n2nccc2NC(=O)[C@@H](C)NC(=O)C2CCC2)CC1,C66662798_decoy,ADA,Decoy,0,-7.71907,-4.82,-0.69,-4.427600066803348
Cc1occc1C(=O)NC1CC[NH+](CC(=O)NCc2ccco2)CC1,C66891484_decoy,ADA,Decoy,0,-7.72743,-5.42,-1.75,-4.942960662647754
C[C@@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)Nc2nncs2)C1,C67392654_decoy,ADA,Decoy,0,-8.55249,-6.54,-0.92,-7.107069725191384
C[NH+](C)CC/N=C/c1c(O)n(-c2ccccc2Cl)c(=O)[nH]c1=O,C06000999_decoy,ADA,Decoy,0,-8.12711,-5.33,-0.49,-4.958530449339643
C[NH+](CC(=O)NC[C@H]1COc2ccccc2O1)CC(=O)NC1CC1,C07792793_decoy,ADA,Decoy,0,-7.61316,-8.24,-0.74,-7.557963032957592
CC/C(=N\C1CC[NH+](Cc2ccccc2)CC1)C1C(=O)N=C(O)N=C1O,C09359317_decoy,ADA,Decoy,0,-8.57881,-7.92,-1.59,-9.233379049499757
CSc1nc(C(=O)N2CCC(Cn3cc(C[NH3+])nn3)CC2)cs1,C23214095_decoy,ADA,Decoy,0,-10.3545,-6.73,-0.52,-7.356385298653481
CCCNC(=O)CN1C(=O)COc2cc(N3CC[NH2+]CC3)ccc21,C31947216_decoy,ADA,Decoy,0,-8.03608,-6.28,-0.57,-6.625069099241291
CC[NH+](CC)[C@@H](C)CNS(=O)(=O)c1ccc2c(c1)NC(=O)CO2,C32073086_decoy,ADA,Decoy,0,-8.52639,-7.24,-2.48,-7.953095618618354
CN(C)C(=O)Nc1ccc(N2CCCC2)c(C(=O)NCCC[NH+](C)C)c1,C35266368_decoy,ADA,Decoy,0,-8.19483,-6.72,-1.02,-8.730206837253595
C=CCOC(=O)c1sc2nc(CN3CC[NH2+][C@H](C)C3)[nH]c(=O)c2c1C,C36204269_decoy,ADA,Decoy,0,-9.23904,-6.28,-1.4,-6.192449104108172
Cc1c(NC(=O)[C@@H](C)[NH2+]C[C@H]2CCCO2)c(=O)n(-c2ccccc2)n1C,C03414667_decoy,ADA,Decoy,0,-7.48763,-7.91,-0.78,-7.622027001995473
Cc1c(NC(=O)[C@H](C)[NH2+]C[C@@H]2CCCO2)c(=O)n(-c2ccccc2)n1C,C03414673_decoy,ADA,Decoy,0,-7.87571,-6.46,-0.91,-5.78337136576457
C[NH+](C)C(C)(C)CNC(=O)c1ccc(S(=O)(=O)NC2CC2)o1,C42017622_decoy,ADA,Decoy,0,-7.72592,-6.06,-0.62,-6.094494174438689
CCN(CC)C(=O)C[NH+]1CCCN(C(=O)NC2CCC(O)CC2)CC1,C42961443_decoy,ADA,Decoy,0,-7.88731,-8.48,-0.88,-12.319845538650045
C[NH+](C)[C@@H](CNC(=O)c1cccc(N2CCNC2=O)c1)c1ccco1,C44936639_decoy,ADA,Decoy,0,-8.04405,-8.06,-1.29,-7.245705758759075
Cc1cc(NC(=O)C(=O)NCC2([NH+]3CCSCC3)CCCC2)no1,C48001907_decoy,ADA,Decoy,0,-8.45596,-6.8,-0.82,-6.641417445251585
Cc1n[nH]c(C)c1S(=O)(=O)NCc1ccc(N2CC[NH+](C)CC2)cc1,C49740714_decoy,ADA,Decoy,0,-9.1172,-8.3,-0.92,-8.181017325970167
CC[NH+](CC)CCN/C=C1\C(=O)NC(=O)N(C2CCCCC2)C1=O,C02300051_decoy,ADA,Decoy,0,-8.10315,-7.95,-1.71,-7.596704084382526
Cc1ncsc1C(=O)NC1CC[NH+](CC(=O)NCc2ccco2)CC1,C51100318_decoy,ADA,Decoy,0,-8.11435,-5.19,-0.48,-4.777415126681435
CC[NH+]1CCC[C@@H](NC(=O)N2CCN(CC(=O)NC3CC3)CC2)C1,C52594690_decoy,ADA,Decoy,0,-8.26473,-6.5,-0.81,-5.868274262522199
CCn1c(=O)[nH]c2cc(C(=O)NCC(C)(C)[NH+](C)C)ccc2c1=O,C53117198_decoy,ADA,Decoy,0,-7.08517,-7.37,-0.62,-6.852665686635636
COc1ccccc1NC(=O)[C@@H](C)[NH+]1CCC(NS(C)(=O)=O)CC1,C54104203_decoy,ADA,Decoy,0,-8.4484,-5.42,-0.35,-5.580182573442015
CC(C)(C)NC(=O)NC(=O)CN1CC[NH+](C[C@@H]2CCCO2)CC1,C57884197_decoy,ADA,Decoy,0,-7.19508,-6.36,-0.83,-6.350258041312756
COc1ccccc1NC(=O)[C@H](C)[NH+]1CCC[C@H](N2CCNC2=O)C1,C58023342_decoy,ADA,Decoy,0,-8.45214,-7.4,0.21,-7.237629464321866
CC(C)C[NH+]1CCC(NC(=O)Cc2csc(N3CCNC3=O)n2)CC1,C46745035_decoy,ADA,Decoy,0,-9.13239,-6.38,-2.28,-5.848724223571047
C[NH+](C)CCN/C=C1/C(=O)NC(=O)N(CCC2=CCCCC2)C1=O,C02279432_decoy,ADA,Decoy,0,-7.54314,-7.02,-0.23,-6.189082441880855
O=C1NC(=O)N(c2ccccc2F)C(=O)/C1=C/NCC[NH+]1CCCCC1,C19949961_decoy,ADA,Decoy,0,-7.4931,-9.0,-1.36,-8.435613245863589
CC(=O)N(C)c1ccc(NC(=O)C(=O)NCC2([NH+](C)C)CCCC2)cc1,C62567310_decoy,ADA,Decoy,0,-8.5109,-8.41,-0.21,-8.400607778022152
C[C@H](CC[NH+](C)C)NC(=O)C(=O)Nc1nnc(-c2ccsc2)s1,C62586451_decoy,ADA,Decoy,0,-9.19439,-5.16,-0.79,-5.710720426186913
Cc1cc(NC(=O)[C@@H](C)NS(C)(=O)=O)ccc1N1CC[NH+](C)CC1,C63096800_decoy,ADA,Decoy,0,-9.1355,-6.53,-0.33,-6.579156284268015
O=C(CCN1C(=O)NC2(CCCCC2)C1=O)N[C@H]1CC[NH+](C2CC2)C1,C63115217_decoy,ADA,Decoy,0,-8.10709,-8.37,-0.76,-7.940965893474076
C[NH+](C)C1(CNC(=O)C(=O)Nc2nnc(C(F)F)s2)CCCCC1,C63202829_decoy,ADA,Decoy,0,-7.9851,-5.57,-1.16,-5.13461469473875
CC[NH+](CC)CCN/C=C1/C(=O)NC(=O)N(c2ccccc2C)C1=O,C19595366_decoy,ADA,Decoy,0,-8.52048,-7.66,-0.68,-8.33867170249893
Cc1ccc(C#N)cc1NC(=O)C(=O)NCc1ccc(N2CCCC2)[nH+]c1,C63826509_decoy,ADA,Decoy,0,-8.90646,-7.53,-0.73,-6.143255927309975
CCCS(=O)(=O)N1CCC([NH2+]C[C@@H]2CNc3ccnn3C2)CC1,C58329515_decoy,ADA,Decoy,0,-8.28957,-7.84,-1.97,-8.231878117172442
O=C(NCCN1N[C@H](c2ccco2)C=CC1=O)[C@@H]1C=c2ccccc2=[NH+]1,C64414559_decoy,ADA,Decoy,0,-7.7136,-9.38,-1.01,-8.056698520809746
CC[NH+]1CC[C@H](CNC(=O)N2CCC(NS(C)(=O)=O)CC2)C1,C65446782_decoy,ADA,Decoy,0,-8.25215,-6.15,-0.45,-6.178087953041272
Cc1nc2nc(=S)n(C[NH+]3CCC[C@H](CCC(N)=O)C3)n2c(C)c1C,C66080057_decoy,ADA,Decoy,0,-9.80688,-8.33,-1.36,-7.693993514576644
Cc1noc(CNC(=O)NC2CC[NH+](Cc3ccc(F)c(F)c3)CC2)n1,C66186899_decoy,ADA,Decoy,0,-8.05426,-5.88,-0.87,-4.804333235451984
C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCCN(c2nc(C)cs2)CC1,C66438110_decoy,ADA,Decoy,0,-8.29628,-7.9,0.01,-7.670014778304621
Cc1ccc(S(=O)(=O)NC[C@@H]2CCC[NH+](CC(=O)NCC#N)C2)cc1,C66497692_decoy,ADA,Decoy,0,-10.2007,-6.55,-0.44,-7.213763526214811
C=CC[NH+](CC(=O)NC(=O)NC(C)(C)C)[C@H]1CCS(=O)(=O)C1,C66561332_decoy,ADA,Decoy,0,-7.65408,-7.74,-4.08,-7.306090177956943
COc1cc(C[NH2+]CC(C)(C)NS(C)(=O)=O)cc2c1OCCO2,C67005876_decoy,ADA,Decoy,0,-7.37789,-7.14,-1.14,-6.656085508120806
CCCCNC(=O)NC(=O)C[NH+]1CCC[C@H]1C(=O)N1CCSCC1,C67117636_decoy,ADA,Decoy,0,-7.82605,-5.47,-2.53,-5.315927283044048
C[C@H]1CCC[NH+](C(C)(C)CNC(=O)C(=O)Nc2nnc(C3CC3)s2)C1,C67392667_decoy,ADA,Decoy,0,-8.97419,-7.15,-0.87,-7.090243543945134
Cc1nc(NC(=O)C(=O)NCC(C)(C)[NH+]2CCC[C@@H](C)C2)oc1C,C67392693_decoy,ADA,Decoy,0,-8.35452,-6.89,-0.54,-6.061351292112903
C[C@H]1CCCC[NH+]1CCCNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1,C67623925_decoy,ADA,Decoy,0,-8.2903,-7.09,-0.81,-7.5960033854694755
C[NH+](C)C1(CNC(=O)N[C@H]2CCCN(S(C)(=O)=O)C2)CCCC1,C67624586_decoy,ADA,Decoy,0,-8.75445,-5.7,-0.44,-5.527380580148512
C[C@H]1CCCC[NH+]1[C@@H](C)CNC(=O)N[C@@H]1CCCN(S(C)(=O)=O)C1,C67626491_decoy,ADA,Decoy,0,-8.4331,-8.15,-1.39,-7.77709709648128
CC(C)C[C@H](C[NH+](C)C)NC(=O)N[C@H]1CCCN(S(C)(=O)=O)C1,C67627748_decoy,ADA,Decoy,0,-8.10167,-6.61,-1.75,-7.391883601121881
CC(C)[NH+]1CC[C@@H](CNC(=O)CN2C(=O)N[C@](C)(C3CC3)C2=O)C1,C67633078_decoy,ADA,Decoy,0,-7.16677,-6.52,-0.52,-6.220478071470111
C[C@H]1CCC[NH+]([C@@H](C)CNC(=O)N[C@@H]2CCCN(S(C)(=O)=O)C2)C1,C67644301_decoy,ADA,Decoy,0,-8.97128,-7.51,-2.45,-7.564122968332348
O=C(CNC(=O)c1ccccc1)NC[C@H](c1ccco1)[NH+]1CCCC1,C03444883_decoy,ADA,Decoy,0,-7.73513,-8.28,-0.45,-9.132398833443718
C=CCNS(=O)(=O)c1ccc(C(=O)NCC[NH+](C)C)cc1,C09482210_decoy,ADA,Decoy,0,-7.35183,-7.39,-0.81,-7.048917698206248
CCOC1(OCC)CCN(C(=O)OC(C)(C)C)[C@@H](C[NH3+])C1,C12359104_decoy,ADA,Decoy,0,-7.79974,-6.9,-0.76,-8.55804671977903
C=C(C)C[NH+](CC)Cc1ccc(C(=O)NC[C@H]2CCCO2)c(=O)[nH]1,C14988777_decoy,ADA,Decoy,0,-7.8708,-6.47,-1.02,-5.917158168485981
C=CCNC(=O)C[NH+]1CCN(CC(=O)c2c[nH]c3ccccc23)CC1,C22013903_decoy,ADA,Decoy,0,-8.1217,-8.19,-0.64,-8.157446377489038
Cc1noc(C)c1S(=O)(=O)NCCC[NH2+]C(C)C,C36299808_decoy,ADA,Decoy,0,-7.65814,-5.77,-1.52,-7.168593660682188
O[C@@H](C[NH2+]C1CC1)CSc1nnnn1C1CCCC1,C37372735_decoy,ADA,Decoy,0,-9.37383,-7.42,-0.39,-8.282713805648639
N#Cc1ccc(C[NH2+]C[C@@H](O)COc2cnsn2)cc1,C37749013_decoy,ADA,Decoy,0,-9.19965,-7.23,-0.44,-7.757080177411068
COc1ccc(OC[C@H](O)C[NH2+]C[C@H]2COCCO2)cc1,C37999908_decoy,ADA,Decoy,0,-7.28665,-7.26,-0.04,-6.948160586135119
CC(C)CCNC(=O)[C@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1,C36828664_decoy,ADA,Decoy,0,-8.16911,-4.74,-0.59,-4.974134144913358
CC(=O)N[C@H](C(=O)NC[C@@H](c1ccco1)[NH+]1CCCCC1)C(C)C,C39484784_decoy,ADA,Decoy,0,-7.30956,-5.77,-2.51,-5.004524866538691
CC(=O)N[C@H](C(=O)NC[C@H](c1ccco1)[NH+]1CCCCC1)C(C)C,C39484786_decoy,ADA,Decoy,0,-7.61384,-6.09,-1.41,-5.321716379050804
CC[C@H](C)CC(=O)N1C[C@@H](C(=O)NCCOC)C2(CC[NH2+]CC2)C1,C39603709_decoy,ADA,Decoy,0,-8.14394,-5.76,-0.18,-5.447682398567677
CN(C)S(=O)(=O)c1ccc(OCCC[NH+](C)C)c(N)c1,C40240284_decoy,ADA,Decoy,0,-7.12818,-5.79,-0.42,-5.56591248155966
CCCNC(=O)CN(CCC)C(=O)[C@@H]1C[C@@H](OC)C[NH2+]1,C40636114_decoy,ADA,Decoy,0,-6.65003,-5.47,-2.9,-5.48117071976544
C=CCNC(=O)[C@H](C)[NH2+]CCc1ccc([N+](=O)[O-])cc1,C40676167_decoy,ADA,Decoy,0,-6.27353,-7.12,-0.5,-6.063219834254293
Cc1n[nH]c(C)c1S(=O)(=O)NC[C@H](CC(C)C)[NH+](C)C,C40809497_decoy,ADA,Decoy,0,-8.07565,-6.93,-0.22,-7.90863732093346
CCC[NH2+]Cc1ccc(OC)cc1OC[C@H]1CNC(=O)O1,C40904110_decoy,ADA,Decoy,0,-7.32333,-7.04,0.34,-8.260200886893104
CCC(CC)(CNC(=O)C(=O)Nc1ccc(C#N)cc1)[NH+](C)C,C41885517_decoy,ADA,Decoy,0,-7.64796,-5.97,-0.97,-5.4958037334047845
COc1cc(OC)c(C(=O)N(C)C[C@@H](C)C[NH3+])cc1OC,C42455254_decoy,ADA,Decoy,0,-7.05987,-5.61,-0.56,-6.061751749032094
CC[C@@H](C)NC(=O)[C@@H](C)[NH+]1CCN(CC(=O)NC(C)C)CC1,C42474568_decoy,ADA,Decoy,0,-7.28661,-7.38,-1.87,-7.099648460087835
CNC(=O)CN1CC[NH+]([C@H](C)C(=O)NCCC(C)C)CC1,C42501553_decoy,ADA,Decoy,0,-6.96721,-7.29,-0.6,-7.0944795243083885
CS(=O)(=O)NC1CC[NH+](CC(=O)NC(C2CC2)C2CC2)CC1,C42569117_decoy,ADA,Decoy,0,-8.60931,-6.34,-1.87,-8.545870422632978
CC[NH+]1CCN(CCNC(=O)CCNC(=O)[C@H]2C[C@@H]2C)CC1,C42592990_decoy,ADA,Decoy,0,-7.39123,-5.89,-1.23,-6.018667750886342
CC(=O)NCC[NH2+][C@@H](C)c1ccc(S(=O)(=O)N(C)C)cc1,C44493831_decoy,ADA,Decoy,0,-8.1663,-7.06,-0.41,-7.349346462857953
COCCOCC[NH2+]Cc1nc2cc(Cl)ccc2c(=O)[nH]1,C44725247_decoy,ADA,Decoy,0,-7.67604,-6.06,-0.35,-6.433366221089568
CC[C@@H](C)NC(=O)C[NH+]1CCN(CCC(=O)NC(C)C)CC1,C46512190_decoy,ADA,Decoy,0,-7.53842,-4.51,-0.84,-4.7584693426207245
CCCNC(=O)C[NH+]1CCC(NC(=O)[C@H](C)OC)CC1,C48693856_decoy,ADA,Decoy,0,-6.91751,-5.47,-0.53,-5.538464236137233
CCO[C@@H](CC)C(=O)NC1CC[NH+](CC(=O)NC)CC1,C48965988_decoy,ADA,Decoy,0,-6.82048,-6.62,-0.86,-6.420875010706991
CCCNC(=O)CN(C)S(=O)(=O)CC[C@H]1CCCC[NH2+]1,C49038892_decoy,ADA,Decoy,0,-7.20791,-6.85,-0.57,-9.60281183350506
CCNC(=O)CN(C)S(=O)(=O)CC[C@@H]1CCCC[NH2+]1,C49716948_decoy,ADA,Decoy,0,-7.384,-5.58,-0.66,-5.5529997345515785
CC(C)[C@H](C(=O)NC(C)(C)C)[NH+]1CCN(CC(=O)NC2CC2)CC1,C49976026_decoy,ADA,Decoy,0,-7.92394,-8.26,-0.74,-7.800469218838274
CCC(CC)[NH+](CCO)CC(=O)N[C@H]1CCS(=O)(=O)C1,C50112787_decoy,ADA,Decoy,0,-7.59563,-6.87,-0.15,-8.404201610926693
CCCn1cc(S(=O)(=O)NCC[C@@H]2CCC[NH2+]C2)nc1C,C50265642_decoy,ADA,Decoy,0,-8.58614,-5.84,-0.35,-5.4892644580910455
CCNc1ccc(S(=O)(=O)NCC[NH+](C)C(C)C)cn1,C54131932_decoy,ADA,Decoy,0,-8.43489,-5.27,-1.15,-5.651677198973171
CC(C)[NH2+]CCNC(=O)/C=C/c1ccccc1[N+](=O)[O-],C54264987_decoy,ADA,Decoy,0,-6.13987,-6.44,-0.85,-5.7264452038460565
CC[C@@H](C)[C@@H](NC(=O)CN1CC[NH2+]C[C@@H]1C)C(=O)OC,C54374011_decoy,ADA,Decoy,0,-7.27586,-6.3,-0.74,-6.352775584993504
C[NH+](C)[C@H](CNC(=O)CNC(=O)c1ccsc1)c1ccco1,C55109038_decoy,ADA,Decoy,0,-7.21974,-6.9,-0.5,-7.483651853982191
CC[C@H](C)C(=O)NCC(=O)NCCN1CC[NH+](CC)CC1,C57041844_decoy,ADA,Decoy,0,-6.97342,-7.31,-0.67,-7.671925488572505
COCCNC(=O)C[NH+](C)CC(=O)N[C@H]1CCC[C@H](C)[C@H]1C,C52687608_decoy,ADA,Decoy,0,-7.34176,-6.08,-0.85,-6.648206858593732
CC[NH2+][C@H](C)CC(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O,C61272645_decoy,ADA,Decoy,0,-7.91734,-6.74,-1.0,-7.306158225685345
CC[NH2+]C(C)(C)C(=O)N1CCCC[C@@H]1CCNS(C)(=O)=O,C61296327_decoy,ADA,Decoy,0,-7.00391,-6.28,-1.39,-7.044527551532084
COCC[NH2+]Cc1ccc(OC[C@@H]2CNC(=O)O2)cc1,C62729112_decoy,ADA,Decoy,0,-7.81122,-6.39,-0.64,-7.343853350175337
CNS(=O)(=O)c1ccc([C@@H](C)NC(=O)C[NH+](C)C(C)C)cc1,C63582866_decoy,ADA,Decoy,0,-7.7096,-6.68,-0.93,-6.200262272762607
CC(=O)NC1(C(=O)NCCCC[NH+]2CCN(C)CC2)CCCCC1,C63783551_decoy,ADA,Decoy,0,-8.01929,-6.67,-1.59,-5.9450692147088215
CCCCNC(=O)C1CC[NH+](CC(=O)NCC#N)CC1,C66494230_decoy,ADA,Decoy,0,-7.97141,-6.01,-0.6,-6.816690963970788
Cc1cccc(NC(=O)C[NH+](C)CC(=O)NCC2CCC2)n1,C66497868_decoy,ADA,Decoy,0,-6.57152,-7.54,-1.75,-7.450019137541834
CC[NH+](C)CCNCc1c[nH]nc1-c1ccc2c(c1)OCCO2,C66878079_decoy,ADA,Decoy,0,-7.48166,-7.54,-0.64,-7.514572478800667
CC[NH+](C)CCNC(=O)NC[C@H]1CN(CC(C)C)CCO1,C66987989_decoy,ADA,Decoy,0,-7.33786,-7.1,-1.54,-8.196637741170104
Cc1nn(C)c(C)c1C[NH2+]CCNS(=O)(=O)c1ccccc1,C67451374_decoy,ADA,Decoy,0,-7.8301,-6.02,-0.68,-6.575538528476867