SMILES,Molecule Name,Target Name,Type,label,LF_score,GN_score,DD_score, RMSD_Energy
CCCCCCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL85885_active,PA2GA,Active,1,-13.3724,-7.92,,99.0
CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(O)nc2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL159260_active,PA2GA,Active,1,-12.2533,-7.06,-4.71,-9.384170684343069
CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(OC)nc2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL57713_active,PA2GA,Active,1,-12.3047,-7.15,-3.44,-9.439526420034596
CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL87741_active,PA2GA,Active,1,-13.4321,-7.44,-2.13,-10.04205600613515
C[C@H]1[C@H](C)CC[C@]2(C(=O)O)CC[C@]3(C)C(=CC[C@H]4[C@@]5(C)CC[C@@H](O)C(C)(C)[C@H]5CC[C@@]43C)[C@H]12,CHEMBL169_active,PA2GA,Active,1,-10.639,-5.99,-2.38,-4.144664046035204
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(OCC)nc2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL159838_active,PA2GA,Active,1,-10.9239,-7.45,-2.53,-9.46150522089006
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1,CHEMBL357979_active,PA2GA,Active,1,-10.6631,-9.91,-1.16,-17.60048271406383
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3c(c2n1Cc1ccccc1)CCCC3,CHEMBL180576_active,PA2GA,Active,1,-13.0784,-10.96,-2.04,-15.415618296761668
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(OC)nc2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL162753_active,PA2GA,Active,1,-11.1853,-7.81,-2.94,-10.538043112190833
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(O)nc2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL159308_active,PA2GA,Active,1,-13.3921,-7.09,-3.59,-9.310380993935295
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1Cc1ccccc1,CHEMBL436456_active,PA2GA,Active,1,-10.3664,-9.52,-0.82,-15.587625447474194
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3ccccc3c2n1CC1CCCCC1,CHEMBL425696_active,PA2GA,Active,1,-11.5717,-9.51,-0.65,-24.22232158515068
CCCCCCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(C)c2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL158383_active,PA2GA,Active,1,-11.0477,-8.05,-4.24,-10.37827617729736
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(CCO)c2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL161747_active,PA2GA,Active,1,-13.0996,-6.52,-1.79,-8.617086599826619
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(CC(=O)NC)c2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL350791_active,PA2GA,Active,1,-13.1757,-8.92,-3.13,-11.186531967600306
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1,CHEMBL356606_active,PA2GA,Active,1,-10.8399,-9.5,-0.61,-15.483762209467
NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2-c2ccccc2)c2cccc(OCC(=O)O)c12,CHEMBL347957_active,PA2GA,Active,1,-10.5965,-9.7,-0.67,-16.050039206565184
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1c(Cl)cccc1Cl,CHEMBL345488_active,PA2GA,Active,1,-11.2682,-9.03,-0.22,-22.565888138146
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1)CCC3,CHEMBL361552_active,PA2GA,Active,1,-11.0846,-9.68,-1.18,-18.85019058248829
CCCCCCCCNC(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL82900_active,PA2GA,Active,1,-12.7163,-8.18,-4.91,-10.641464759033711
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1,CHEMBL148674_active,PA2GA,Active,1,-9.86367,-8.57,-0.36,-12.857496983799065
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc(Cl)c1,CHEMBL345986_active,PA2GA,Active,1,-11.1132,-8.73,-0.68,-13.541764875953485
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1)CCC3,CHEMBL179658_active,PA2GA,Active,1,-10.8047,-9.47,-0.66,-17.10500466325395
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc(-c2ccccc2)c1,CHEMBL355944_active,PA2GA,Active,1,-11.8754,-10.29,-1.73,-19.27125344190585
CCc1c(C(=O)C(N)=O)c2c(CC(=O)O)cc(C)cc2n1Cc1ccccc1,CHEMBL347748_active,PA2GA,Active,1,-9.61361,-8.66,-0.4,-11.821472841627736
CCCCCCCCn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21,CHEMBL433701_active,PA2GA,Active,1,-9.61352,-7.7,-2.0,-12.83889016056655
Cc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)O)cccc2n1Cc1ccccc1,CHEMBL422667_active,PA2GA,Active,1,-9.76281,-9.37,-0.7,-20.03256460772555
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1cccc2ccccc12,CHEMBL357804_active,PA2GA,Active,1,-10.8041,-10.32,-0.44,-20.711667889043447
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1Cl,CHEMBL148795_active,PA2GA,Active,1,-11.0564,-9.35,-1.01,-22.23296362766878
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1F)CCC3,CHEMBL179118_active,PA2GA,Active,1,-10.7785,-10.06,-0.09,-20.13856279836325
Cc1c(CC(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1,CHEMBL423762_active,PA2GA,Active,1,-10.6964,-9.62,-0.67,-15.65807426348305
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1cccc(F)c1)CCC3,CHEMBL179966_active,PA2GA,Active,1,-11.0132,-9.73,-0.85,-17.748385840373892
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1)CCCC3,CHEMBL425869_active,PA2GA,Active,1,-10.2505,-9.66,-0.15,-21.57579755915461
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1,CHEMBL346196_active,PA2GA,Active,1,-9.99813,-9.35,-0.23,-21.41990051653161
CCc1c(C(=O)C(N)=O)c2c(OC(C)C(=O)O)cccc2n1Cc1ccccc1,CHEMBL148649_active,PA2GA,Active,1,-9.69581,-8.16,-0.77,-11.764664733757703
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccccc1)CCCC3,CHEMBL435488_active,PA2GA,Active,1,-10.2614,-9.1,-0.31,-18.05555193534797
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(CC(=O)O)c2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL158773_active,PA2GA,Active,1,-13.1579,-7.31,-3.18,-11.099755900058698
CCc1c(C(=O)C(N)=O)c2c(OC)cc3ccccc3c2n1Cc1ccccc1,CHEMBL514841_active,PA2GA,Active,1,-9.33822,-8.15,-0.26,-8.142949515747352
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cncnc2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL87375_active,PA2GA,Active,1,-11.4071,-6.53,-3.18,-8.922500819629636
Cc1ccccc1Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc21,CHEMBL423219_active,PA2GA,Active,1,-10.1252,-9.23,-0.71,-17.84324781738868
CCc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)c(C)cc2n1Cc1ccccc1,CHEMBL359304_active,PA2GA,Active,1,-9.07913,-7.43,-1.04,-10.778250200977135
CC(=O)O[C@H]1CC2[C@@]3(C)CCCC(C)(C)C3CC[C@@]2(C)C2CC=C(C=O)[C@H](C=O)[C@]21C,CHEMBL292645_active,PA2GA,Active,1,-8.45524,-4.97,-1.43,-5.256107350785781
CCc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)ccc2n1Cc1cccc(Cl)c1,CHEMBL148601_active,PA2GA,Active,1,-11.3465,-9.44,-0.86,-16.246903903092296
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(CC)c2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL159941_active,PA2GA,Active,1,-13.3023,-8.18,-4.25,-10.179630833105824
NC(=O)Cc1c(Br)n(Cc2ccccc2)c2cc(Cl)c(OCCCC(=O)O)cc12,CHEMBL356699_active,PA2GA,Active,1,-10.2407,-7.56,-0.86,-9.60785085985015
O=C(O)CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1,CHEMBL434630_active,PA2GA,Active,1,-12.2106,-8.07,-3.28,-10.56213733871499
Cc1c(CC(N)=O)c2cc(OCCCP(=O)(O)O)ccc2n1Cc1ccccc1-c1ccccc1,CHEMBL423205_active,PA2GA,Active,1,-10.7777,-10.31,-0.71,-13.735684419257352
CCc1c(C(=O)C(N)=O)c2c(OC(CCc3ccccc3)C(=O)O)cccc2n1Cc1ccccc1,CHEMBL358155_active,PA2GA,Active,1,-11.3216,-9.35,-3.04,-17.511336688891557
CCCCCCCCN(C)C(=O)Cn1cc(Cc2cnc(=O)n(C)c2)c(=O)nc1SCc1ccc(F)cc1,CHEMBL350578_active,PA2GA,Active,1,-12.753,-7.81,-2.8,-10.80781972776013
NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2)c2cccc(OCC(=O)O)c12,CHEMBL358163_active,PA2GA,Active,1,-9.68156,-9.69,-0.08,-17.98659280683251
CCc1c(C(=O)C(N)=O)c2c(CC(=O)O)cccc2n1S(=O)(=O)c1ccccc1,CHEMBL421780_active,PA2GA,Active,1,-9.37837,-8.84,-1.22,-12.685226675200283
CCc1c(C(=O)C(N)=O)c2c(OCC(C)=O)cccn2c1Cc1ccccc1-c1ccccc1,CHEMBL517821_active,PA2GA,Active,1,-10.3895,-8.73,-1.02,-15.200520241752884
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3ccccc3c2n1Cc1ccccc1,CHEMBL515637_active,PA2GA,Active,1,-9.45796,-9.15,-1.56,-9.669953844585164
CCc1c(C(=O)C(N)=O)c2c(OC)cccn2c1Cc1ccccc1-c1ccccc1,CHEMBL478821_active,PA2GA,Active,1,-10.1235,-9.09,-0.01,-16.193262578370735
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1C(=O)c1ccccc1,CHEMBL347052_active,PA2GA,Active,1,-8.49802,-7.79,-1.13,-10.201590586938911
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccc(-c2ccccc2)cc1,CHEMBL148861_active,PA2GA,Active,1,-10.917,-9.87,-0.77,-23.571175675082824
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCC(=O)O)cc12,CHEMBL145978_active,PA2GA,Active,1,-10.6974,-9.36,-0.67,-20.129564590745627
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccn2c1Cc1ccccc1-c1ccccc1,CHEMBL332993_active,PA2GA,Active,1,-10.1396,-9.0,-0.68,-19.479733006829782
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1,CHEMBL514692_active,PA2GA,Active,1,-12.2923,-9.67,-3.26,-14.339807666802832
O=C(O)C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1,CHEMBL151141_active,PA2GA,Active,1,-12.2663,-8.37,-2.86,-10.39835511137377
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1F)CCC2,CHEMBL433767_active,PA2GA,Active,1,-11.1419,-8.54,-0.69,-12.6894830344572
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCP(=O)(O)O)cc12,CHEMBL356306_active,PA2GA,Active,1,-10.0575,-9.69,-3.7,-14.269174182022596
CCCc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1,CHEMBL149952_active,PA2GA,Active,1,-11.3084,-9.37,-0.97,-14.779122044713404
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)O)cc3c(c2n1Cc1ccc(F)cc1)CCC3,CHEMBL178675_active,PA2GA,Active,1,-11.764,-9.27,-1.31,-17.97253627691419
CCCCc1nc(C2=NOC(C(=O)OCC)C2)c(Cl)[nH]1,CHEMBL330852_active,PA2GA,Active,1,-9.02285,-7.03,-1.87,-7.9875707078116465
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)NS(=O)(=O)c3ccccc3)cc3ccccc3c2n1Cc1ccccc1,CHEMBL446349_active,PA2GA,Active,1,-11.0817,-10.59,-1.82,-18.998111990668
CCCCc1nc(C2=NOC(C#N)C2)c(Cl)[nH]1,CHEMBL123168_active,PA2GA,Active,1,-7.70028,-5.79,-1.01,-6.029396867248785
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cc3c(c2n1Cc1ccccc1)CCCC3,CHEMBL178405_active,PA2GA,Active,1,-9.77675,-8.88,-1.68,-16.127763199321503
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1)CCC2,CHEMBL425697_active,PA2GA,Active,1,-10.4529,-8.32,-0.64,-9.781695119618984
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)OC)cc3c(c2n1Cc1ccccc1)CCC3,CHEMBL179309_active,PA2GA,Active,1,-10.663,-9.06,-1.23,-16.924399646677987
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1)CCCC2,CHEMBL180063_active,PA2GA,Active,1,-8.93664,-8.31,-0.3,-8.662356350772997
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(O)cc12,CHEMBL146267_active,PA2GA,Active,1,-9.4906,-5.84,-0.37,-5.59451607298562
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1cccc(F)c1)CCC2,CHEMBL178187_active,PA2GA,Active,1,-11.1272,-8.41,-0.72,-12.414976409387076
CCCCc1nc(C2=NOC(c3ccccc3)C2)c(Cl)[nH]1,CHEMBL123608_active,PA2GA,Active,1,-9.68196,-7.82,-0.77,-7.568674530332329
Cc1c(CC(N)=O)c2cc(OCc3ccccc3C(=O)O)ccc2n1Cc1ccccc1,CHEMBL440174_active,PA2GA,Active,1,-9.89289,-10.0,-3.14,-14.533843083778462
COC(=O)COc1cc2ccccc2c2c1c(C(=O)C(N)=O)c(C)n2CC1CCCCC1,CHEMBL178260_active,PA2GA,Active,1,-11.322,-9.28,-0.72,-20.526035999875266
CCCCc1nc(C2=NOC(CO)C2)c(Cl)[nH]1,CHEMBL121517_active,PA2GA,Active,1,-9.86864,-4.5,-0.43,-5.212511153895612
CCCCc1nc(C2=NOC(C(=O)Oc3ccccc3)C2)c(Cl)[nH]1,CHEMBL123164_active,PA2GA,Active,1,-9.4765,-6.9,-1.12,-7.365847691857704
COC1=CC(=O)C(O)=C(C[C@@]2(C)CC[C@]3(C)C(C)=CCC[C@H]3[C@H]2C)C1=O,CHEMBL477692_active,PA2GA,Active,1,-9.02771,-6.56,-0.84,-6.24789645020003
CCCCc1nc(C2=NOC(CC(=O)OC)C2)c(Cl)[nH]1,CHEMBL122724_active,PA2GA,Active,1,-9.33547,-5.99,-1.93,-8.5617752368215
CCCCCCCCCCCCCCOc1ccc(N2CCN(C(=O)c3ccc(Cc4noc(=O)[nH]4)cc3)CC2)cc1,CHEMBL1099342_active,PA2GA,Active,1,-11.9911,-7.49,-3.53,-7.21728829976819
O=C(COc1ccc(SCCCCc2ccccc2)cc1)COc1ccc(C(=O)O)cc1,CHEMBL85768_active,PA2GA,Active,1,-10.9715,-6.91,-2.64,-7.873607126761664
Cc1c(C(=O)C(N)=O)c2c(OCCCC(=O)O)cccc2n1Cc1ccccc1-c1ccccc1,CHEMBL359148_active,PA2GA,Active,1,-11.6412,-9.93,-0.4,-16.54866538776906
CCCCc1nc(C2=NOC(C(=O)OC)C2)c(Cl)[nH]1,CHEMBL123104_active,PA2GA,Active,1,-8.37934,-6.15,-1.48,-6.711333241346736
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1ccccc1-c1ccccc1,CHEMBL356859_active,PA2GA,Active,1,-9.76781,-6.13,-0.84,-6.174496808607897
COc1ccc2c(c1)c(CC(N)=O)c(C1CC1)n2Cc1ccccc1,CHEMBL149128_active,PA2GA,Active,1,-8.81301,-8.18,-0.31,-15.089682951051511
COc1ccc2c(c1)c(CC(=O)NN)c(C1CC1)n2Cc1ccccc1,CHEMBL434129_active,PA2GA,Active,1,-9.43698,-8.4,,99.0
CCCCCCCCCCCC(=O)c1c(C(=O)O)n(CCOc2ccc(C(=O)O)cc2F)c2ccccc12,CHEMBL87837_active,PA2GA,Active,1,-11.1824,-8.22,-2.3,-8.855117859296827
CCCCCCCCCCCC(=O)c1c(C(=O)O)n(CCOc2ccc(C(=O)O)cc2Cl)c2ccccc12,CHEMBL316182_active,PA2GA,Active,1,-12.7111,-7.25,-2.92,-9.236382744018702
CCc1c(CC(N)=O)c2cc(OCc3ccccc3C(=O)O)ccc2n1Cc1ccccc1,CHEMBL342549_active,PA2GA,Active,1,-11.7117,-10.08,-1.27,-19.513913093555708
CCCCCCCCCCCC(=O)c1c(C(=O)O)n(CCOc2ccc(C(=O)O)cc2C)c2ccccc12,CHEMBL315812_active,PA2GA,Active,1,-11.4088,-6.96,-3.95,-8.397604054618684
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(OCc2ccccc2)c1,CHEMBL422127_active,PA2GA,Active,1,-10.0307,-9.46,-2.08,-11.44119070441823
CCCCCCCCCCCC(=O)c1c(C(=O)O)n(CCOc2c(F)cc(C(=O)O)cc2F)c2ccccc12,CHEMBL418936_active,PA2GA,Active,1,-13.1676,-7.32,-3.98,-9.03719105599744
Cc1c(CC(N)=O)c2cc(OCCCC(=O)O)ccc2n1CC1CCCCC1,CHEMBL146055_active,PA2GA,Active,1,-11.1327,-7.53,-0.82,-12.760561498670128
CCCCCCCCCCn1c(C)c(CC(N)=O)c2cc(OCCCC(=O)O)ccc21,CHEMBL346679_active,PA2GA,Active,1,-11.392,-7.79,-1.11,-18.27043997364928
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccc(F)cc1)CCC2,CHEMBL178140_active,PA2GA,Active,1,-10.9485,-7.96,-0.47,-12.361814038882958
Cc1c(CC(=O)NN)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1,CHEMBL149602_active,PA2GA,Active,1,-9.13498,-10.4,-0.54,-15.304462641632384
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CCC(C2=CC(=O)OC2O)OC1O,CHEMBL109073_active,PA2GA,Active,1,-10.9833,-9.13,-3.03,-12.503880629705556
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(-c2ccccc2)c1,CHEMBL150101_active,PA2GA,Active,1,-10.0759,-6.6,-1.69,-6.352315219932824
O=C([O-])/C=C/C(=O)Nc1ccc(N2CCCCCC2)c(NC(=O)/C=C/C(=O)[O-])c1,C04361776_decoy,PA2GA,Decoy,0,-11.4147,-8.12,-1.67,-9.07771854897219
C[C@H](CNC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-])NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-],C06267357_decoy,PA2GA,Decoy,0,-11.6106,-8.28,-2.1,-10.003520288510618
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1OC,C00715666_decoy,PA2GA,Decoy,0,-10.4632,-7.5,-2.55,-10.413730983107326
O=C([O-])/C=C/C(=O)Nc1cccc(/C=C/C(=O)c2cccc(NC(=O)/C=C/C(=O)[O-])c2)c1,C09724319_decoy,PA2GA,Decoy,0,-11.4143,-8.32,-4.02,-8.577335275834661
O=C([O-])/C=C/c1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])cc1,C13027175_decoy,PA2GA,Decoy,0,-11.3242,-8.3,-1.08,-11.859521277267149
COc1cc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c(C(=O)[O-])cc1OC,C13027930_decoy,PA2GA,Decoy,0,-8.48425,-8.03,-2.8,-8.154546427065721
O=C(CSc1nnc(C2CCCCC2)o1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1,C13057897_decoy,PA2GA,Decoy,0,-11.8383,-8.71,-1.35,-15.917452716776848
C[C@H](Sc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1,C13169531_decoy,PA2GA,Decoy,0,-9.97375,-7.51,-1.29,-8.396425275752813
CCN(CC)S(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1,C13169591_decoy,PA2GA,Decoy,0,-13.0711,-7.86,-1.29,-13.841039567660411
COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1,C13196106_decoy,PA2GA,Decoy,0,-9.79276,-8.48,-2.87,-12.526570504774282
CC(C)Cn1c(SCC(=O)Nc2ccc(C(=O)[O-])cc2)nc2cc(C(=O)[O-])ccc2c1=O,C13231724_decoy,PA2GA,Decoy,0,-11.5629,-7.86,-2.72,-14.82603905810712
Cc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1,C13261994_decoy,PA2GA,Decoy,0,-10.4242,-8.58,-1.36,-11.78946944005948
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1Cl,C13265112_decoy,PA2GA,Decoy,0,-10.6485,-8.02,-2.53,-9.660024631643893
CC(C)C[C@H](NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1CC(C)C)C(=O)[O-],C13273974_decoy,PA2GA,Decoy,0,-10.8175,-7.91,-2.92,-11.430793731985991
CC(C)C[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](C(=O)[O-])C(C)C)C(=O)[O-],C13274532_decoy,PA2GA,Decoy,0,-9.70632,-7.72,-3.82,-8.986827126278547
CC(C)C[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1[C@@H](C(=O)[O-])C(C)C)C(=O)[O-],C13274555_decoy,PA2GA,Decoy,0,-12.214,-8.11,-2.33,-12.459516110513963
COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1OC,C13300636_decoy,PA2GA,Decoy,0,-11.6355,-6.59,-1.74,-10.761116733832935
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccc(Cl)cc1,C13343124_decoy,PA2GA,Decoy,0,-12.6161,-7.99,-2.43,-10.764209903543032
COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1OC,C13344500_decoy,PA2GA,Decoy,0,-10.9978,-7.21,-2.95,-9.104660585137516
Cc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1,C13348265_decoy,PA2GA,Decoy,0,-11.1918,-7.26,-2.36,-8.809276229260279
O=C(CSc1nnc(NCCc2cccs2)s1)Nc1cc(C(=O)[O-])ccc1C(=O)[O-],C13407581_decoy,PA2GA,Decoy,0,-12.8797,-7.73,-2.52,-9.24101345120313
O=C(CCCCC(=O)Nc1sc2c(c1C(=O)[O-])CCC2)Nc1sc2c(c1C(=O)[O-])CCC2,C02333545_decoy,PA2GA,Decoy,0,-11.7651,-8.66,-1.66,-11.674662070422093
O=C([O-])[C@@H](Cc1ccc(O)cc1)c1ccc([C@@H](Cc2ccc(O)cc2)C(=O)[O-])cc1,C17288959_decoy,PA2GA,Decoy,0,-11.8361,-8.38,-2.87,-9.581721767882309
Cc1ccc(C(=O)[C@](O)(C(=O)[O-])[C@@](O)(C(=O)[O-])C(=O)c2ccc(C)cc2)cc1,C21298978_decoy,PA2GA,Decoy,0,-9.84609,-5.41,-1.22,-6.1820838719895335
C[C@@]12CC[C@@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC[C@]43C)[C@@H]1CC[C@@H]2O,C26771812_decoy,PA2GA,Decoy,0,-11.4008,-7.47,-2.44,-7.47696973867514
C[C@]12CC[C@@H]3[C@H](CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O,C08917764_decoy,PA2GA,Decoy,0,-11.2271,-7.18,-1.92,-7.8209250077888415
O=C(C[C@H](C(=O)[O-])c1ccccc1)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1,C13250687_decoy,PA2GA,Decoy,0,-10.2827,-6.4,-3.39,-5.85708301393178
O=C([O-])CCc1nnc(SCC(=O)Nc2c(F)cc(F)cc2Br)nc1[O-],C13280562_decoy,PA2GA,Decoy,0,-14.7144,-8.55,-0.93,-23.10276098820675
Cc1nc(SCC(=O)N[C@H]2CCC[C@H](C)[C@H]2C)nc([O-])c1CCC(=O)[O-],C13447504_decoy,PA2GA,Decoy,0,-12.5083,-8.04,-1.53,-14.104547834261687
Cc1nc(SCC(=O)NC(=O)NCCC(C)C)nc([O-])c1CCC(=O)[O-],C13448529_decoy,PA2GA,Decoy,0,-11.7375,-7.12,-1.21,-10.158458579496298
Cc1nc(SCC(=O)NC(=O)N[C@H]2CCC[C@@H](C)[C@H]2C)nc([O-])c1CCC(=O)[O-],C13449285_decoy,PA2GA,Decoy,0,-12.9752,-8.32,-1.56,-11.486762663312888
O=C(CS[C@H]1N=CC(c2ccc(Br)cc2)=N1)Nc1cc(C(=O)[O-])ccc1C(=O)[O-],C39692745_decoy,PA2GA,Decoy,0,-12.9651,-7.35,-1.53,-9.619308302250564
N#C[C@@H]1C2=C(CCCCC2)S[C@H]1NC(=O)CSc1nnc(CCC(=O)[O-])c([O-])n1,C39703865_decoy,PA2GA,Decoy,0,-13.9379,-6.33,-1.5,-9.15470948813316
O=C(CS[C@@H]1N=CC(c2ccc(Br)cc2)=N1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1,C39704647_decoy,PA2GA,Decoy,0,-12.3933,-5.64,-3.53,-7.382252694871521
CCN(CC)S(=O)(=O)c1ccc([O-])c(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1,C13362447_decoy,PA2GA,Decoy,0,-10.9373,-9.05,-1.85,-9.149968591933222
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(Oc2ccc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])cc2)cc1,C39899737_decoy,PA2GA,Decoy,0,-11.8203,-6.93,-4.48,-7.570627027998576
O=C([O-])/C(=C/c1ccc(/C=C(/NC(=O)c2ccccc2)C(=O)[O-])o1)NC(=O)c1ccccc1,C39932582_decoy,PA2GA,Decoy,0,-9.28337,-8.37,-2.3,-8.593261792692978
COc1cc([C@H](c2c([O-])cc(=O)[nH]c2C)c2c([O-])cc(C)[nH]c2=O)ccc1OCc1ccc(F)cc1,C40568478_decoy,PA2GA,Decoy,0,-10.7545,-8.21,-1.75,-7.329908624015161
CC(C)(C)OC(=O)N[C@@H](Cc1cc([N+](=O)[O-])c(Br)c(Br)c1[O-])C(=O)[O-],C44319343_decoy,PA2GA,Decoy,0,-9.36794,-6.92,-1.76,-7.885678612879823
Cc1nc(SCC(=O)NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)nc([O-])c1CCC(=O)[O-],C46302365_decoy,PA2GA,Decoy,0,-11.8071,-7.01,-1.59,-7.496449888514141
C=CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1,C48382932_decoy,PA2GA,Decoy,0,-12.5636,-6.97,-1.26,-8.561372634226071
O=C([O-])c1ccc(Br)c(S(=O)(=O)[N-]c2cccc(S(=O)(=O)NC3CC3)c2)c1,C39670159_decoy,PA2GA,Decoy,0,-9.8722,-8.23,-1.37,-8.70792208659954
CCOc1ccc(/C=C2\SC([N-]c3ccc(O)c(C(=O)[O-])c3)=NC2=O)cc1OC,C16933384_decoy,PA2GA,Decoy,0,-14.462,-7.68,-0.58,-9.98147071071084
CCOc1cc(/C=C2/SC([N-]c3ccc(O)cc3)=NC2=O)ccc1OCCC(=O)[O-],C16920090_decoy,PA2GA,Decoy,0,-11.4359,-7.63,-1.05,-9.914479977533729
Cc1cc(S(=O)(=O)[N-]c2ccccc2NCC(F)(F)F)sc1C(=O)[O-],C58377496_decoy,PA2GA,Decoy,0,-10.1283,-7.01,-3.01,-10.052627477966684
O=C([O-])c1cccc(NC(=S)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])c1,C20457074_decoy,PA2GA,Decoy,0,-9.50603,-7.21,-2.54,-8.534837799235294
O=C([O-])/C=C\C(=O)Nc1cc(NC(=O)/C=C/C(=O)[O-])ccc1N1CCCCCC1,C33363522_decoy,PA2GA,Decoy,0,-9.6468,-4.34,-2.53,-5.499500749774156
O=C([O-])c1cc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)NC3CC3)cc2)c(Cl)cc1F,C60211031_decoy,PA2GA,Decoy,0,-13.3732,-8.04,-1.07,-9.743204490183464
COc1cc([N-]S(=O)(=O)c2cc(C(=O)[O-])cs2)c(C(N)=O)cc1OC,C63634161_decoy,PA2GA,Decoy,0,-10.7909,-7.51,-1.19,-9.503839300782278
CCS(=O)(=O)[N-]c1ccc(N2CCN(CC(=O)NC(C)(C)C)CC2)c(C(=O)[O-])c1,C33253211_decoy,PA2GA,Decoy,0,-9.39952,-5.61,-3.32,-8.507923768457648
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S,C09884839_decoy,PA2GA,Decoy,0,-12.4847,-6.58,-1.77,-8.61599649834611
COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(S(=O)(=O)c1cc(C(=O)[O-])ccc1C)CC2,C13029385_decoy,PA2GA,Decoy,0,-9.1994,-7.88,-3.89,-8.789419416475315
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cccc([N+](=O)[O-])c3)o2)SC1=S,C13073931_decoy,PA2GA,Decoy,0,-10.7274,-7.4,-3.45,-7.715094480193868
COc1ccc(C(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)cc1S(=O)(=O)N1CCCC[C@H]1C,C13169407_decoy,PA2GA,Decoy,0,-10.666,-8.15,-2.88,-6.905029372792377
O=C([O-])Cn1c(SCC(=O)N2CCC(C(=O)[O-])CC2)nnc1-c1ccc(Cl)cc1,C13232570_decoy,PA2GA,Decoy,0,-11.3861,-6.77,-1.83,-7.501863493133318
O=C([O-])c1ccccc1C(=O)c1ccc(Sc2ncccc2C(=O)[O-])c([N+](=O)[O-])c1,C13273961_decoy,PA2GA,Decoy,0,-9.77113,-8.77,-2.08,-8.455677679356755
CC(C)[C@@H](C(=O)[O-])n1c(Sc2ccc(C(=O)[O-])cc2[N+](=O)[O-])nc2ccccc2c1=O,C13274547_decoy,PA2GA,Decoy,0,-7.04983,-6.31,-2.06,-5.717490333881238
COc1cc2c(cc1OC)[C@@H](CC(=O)[O-])N(S(=O)(=O)c1cc(C(=O)[O-])cs1)CC2,C13300951_decoy,PA2GA,Decoy,0,-11.6247,-7.28,-2.1,-8.956088494775468
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(N2CCOCC2)cc1C(=O)[O-],C13317496_decoy,PA2GA,Decoy,0,-9.76235,-7.22,-2.32,-8.436279377982745
COc1cc2c(cc1OC)[C@H](CC(=O)[O-])N(S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)CC2,C13360728_decoy,PA2GA,Decoy,0,-11.4382,-7.85,-2.76,-9.97681473072906
COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)[O-])cc1S(=O)(=O)N1CCCC1,C13391906_decoy,PA2GA,Decoy,0,-9.69982,-8.52,-2.93,-8.47124900076178
COc1ccc(C(=O)Nc2cc(C(=O)[O-])ccc2C(=O)[O-])cc1S(=O)(=O)N1C[C@H](C)C[C@H](C)C1,C13391910_decoy,PA2GA,Decoy,0,-11.1438,-6.92,-3.14,-7.699398390077208
O=C(CSc1ncnc2c1cnn2-c1ccc(F)cc1)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1,C13408210_decoy,PA2GA,Decoy,0,-10.4945,-8.9,-0.82,-9.02257939221498
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)SC1=S,C02425029_decoy,PA2GA,Decoy,0,-11.6366,-6.23,-1.87,-6.14696672198327
O=C(Nc1cccc(C(=O)c2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1)c1cccc([N+](=O)[O-])c1,C22588649_decoy,PA2GA,Decoy,0,-9.60573,-8.71,-1.95,-7.803351151852039
Cc1ccc(Oc2ccccc2[N-]S(=O)(=O)c2ccc3c(c2)N(CC(=O)[O-])C(=O)CO3)cc1,C23144767_decoy,PA2GA,Decoy,0,-10.4664,-7.78,-0.96,-8.396315696114318
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc(C)cc([O-])n3)cc2)nc(C)n1,C26505007_decoy,PA2GA,Decoy,0,-13.3438,-8.63,-2.07,-10.425918707733034
O=C(Nc1ccc(Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)cc1)c1cccc([N+](=O)[O-])c1,C03146348_decoy,PA2GA,Decoy,0,-9.62474,-9.34,-2.71,-14.811251274563862
CS(=O)(=O)[N-]c1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)c(Cl)c1,C30862185_decoy,PA2GA,Decoy,0,-12.1088,-7.9,-4.16,-8.185488945423321
O=C([O-])CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(=O)(=O)N3CCCCC3)c2)cc1,C13079043_decoy,PA2GA,Decoy,0,-11.6187,-7.01,-3.97,-7.688542200171293
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4ncc(Cl)cc4[n-]3)cc2)nc(C)n1,C17968523_decoy,PA2GA,Decoy,0,-11.994,-8.26,-1.45,-7.453954330648775
O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)[N-]c3ccc(Br)cc3)c2)c1,C25392697_decoy,PA2GA,Decoy,0,-11.526,-9.14,-3.35,-13.756624340754186
C=CCOc1cccc([C@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)c1,C13276023_decoy,PA2GA,Decoy,0,-10.4162,-8.47,-2.53,-14.057363099522677
O=C([O-])Cc1ccc(N2C(=O)C([O-])=C(C(=O)C3CC3)[C@@H]2c2cc([N+](=O)[O-])ccc2Cl)cc1,C13277921_decoy,PA2GA,Decoy,0,-10.6649,-8.97,-2.85,-10.105735938141349
O=C([O-])CCc1nnc(SCC(=O)Nc2ccc3c(c2)OC(F)(F)O3)nc1[O-],C13092876_decoy,PA2GA,Decoy,0,-13.8667,-8.97,-1.2,-18.1437498388184
CC(C)c1ccc(N2[C@H](C)C(C(=O)CSc3nnc(CCC(=O)[O-])c([O-])n3)=C[C@@H]2C)cc1,C39704482_decoy,PA2GA,Decoy,0,-13.1031,-8.59,-2.3,-15.99158029546507
O=C([O-])c1cccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3Cl)[C@@H]2c2ccc(OC(F)F)cc2)c1,C13193522_decoy,PA2GA,Decoy,0,-12.1925,-7.52,-3.47,-9.790510350675426
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2ccc(CC(=O)[O-])cc2)cc1,C13194838_decoy,PA2GA,Decoy,0,-10.5441,-5.0,-0.09,-6.005926599505756
COc1cc(OC)cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)c1,C13213259_decoy,PA2GA,Decoy,0,-10.9865,-6.18,-1.23,-8.92028492656735
COc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)cc1OC,C13214016_decoy,PA2GA,Decoy,0,-10.8471,-8.71,-1.95,-11.649302509730967
Cc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)cc(C)c1OC(F)F,C13214154_decoy,PA2GA,Decoy,0,-9.71236,-9.37,-2.38,-9.44511941994338
O=C([O-])Cc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3F)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1,C13217605_decoy,PA2GA,Decoy,0,-9.54025,-5.3,-3.35,-5.138079056702855
O=C([O-])c1ccc2c(=O)[nH]c(CS[C@H]3[N-][C@@H](c4cccc([N+](=O)[O-])c4)CN3c3ccccc3)nc2c1,C39722518_decoy,PA2GA,Decoy,0,-11.6951,-9.22,-2.91,-10.252653574041693
COC(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@@H](CC(=O)[O-])C(=O)[O-])C3=O)o2)cc1,C40567572_decoy,PA2GA,Decoy,0,-11.2965,-6.7,,99.0
CCn1c(C)c([C@H](c2cc(OC)c(OC)c(OC)c2)c2c([O-])cc(C)n(CC)c2=O)c([O-])cc1=O,C40568613_decoy,PA2GA,Decoy,0,-8.90716,-5.23,-2.91,-5.555601093147948
CCn1c(C)c([C@@H](c2ccc(OC)cc2OC)c2c([O-])cc(C)n(CC)c2=O)c([O-])cc1=O,C40568682_decoy,PA2GA,Decoy,0,-7.95316,-8.53,-1.71,-7.244446934439701
COC(=O)CC[C@H](C)[C@@H]1CC[C@H]2[C@H]3C(=O)C[C@H]4C[C@H](C(=O)[O-])CC[C@@]4(C)[C@@H]3C[C@H](C(=O)[O-])[C@]21C,C43726787_decoy,PA2GA,Decoy,0,-9.54573,-7.55,-1.01,-9.50960514566007
C/C(=N\CCSSCC/N=C(\C)C1=C([O-])C[C@H]2[C@@H]1C2(C)C)C1=C([O-])C[C@H]2[C@@H]1C2(C)C,C37238164_decoy,PA2GA,Decoy,0,-12.0695,-7.96,-2.09,-9.940568645199264
O=C(N[C@@H](Cc1cc([N+](=O)[O-])c(Cl)c(Cl)c1[O-])C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44323576_decoy,PA2GA,Decoy,0,-11.3047,-10.29,-4.24,-15.971664068984555
C=CCn1c(SCc2nc3sc(C(=O)[O-])c(C)c3c(=O)[nH]2)nc2cc(C(=O)[O-])ccc2c1=O,C13230702_decoy,PA2GA,Decoy,0,-12.3368,-7.51,-1.3,-8.947193151692012
CC(C)Cn1c(SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)nc2cc(C(=O)[O-])ccc2c1=O,C13231823_decoy,PA2GA,Decoy,0,-11.7308,-7.02,-3.18,-8.596100797764903
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N(c2nnc([S-])s2)[C@H]2CCCC[C@H]2C)c1OC,C46316794_decoy,PA2GA,Decoy,0,-11.2384,-5.18,-1.71,-8.257591081531254
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4nc(C)c(Br)cc4[n-]3)cc2)nc(C)n1,C01878450_decoy,PA2GA,Decoy,0,-11.911,-7.39,-1.14,-7.614106487565563
COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C(C)=O)cc2)cc1OC(F)F,C47250964_decoy,PA2GA,Decoy,0,-8.92973,-7.99,-1.13,-8.659909661136954
COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2cc(Cl)sc2Cl)cc1OC(F)F,C59000070_decoy,PA2GA,Decoy,0,-11.2708,-7.0,-1.87,-8.819364399028911
COc1cc([N-]S(=O)(=O)c2ccc(F)cc2Cl)c(C(=O)[O-])cc1OC(F)F,C60060022_decoy,PA2GA,Decoy,0,-9.46837,-7.15,-2.57,-8.359458872132816
COC(=O)c1ccc(F)c(S(=O)(=O)[N-]c2cc(OC)c(OC(F)F)cc2C(=O)[O-])c1,C60353871_decoy,PA2GA,Decoy,0,-8.04368,-7.79,-2.1,-7.434083826751513
CCCCN(C)S(=O)(=O)[N-]c1c(Br)cc(Br)cc1C(=O)[O-],C62825234_decoy,PA2GA,Decoy,0,-11.9824,-6.4,-2.71,-8.278569483912413
C=CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)S/C1=N\c1ccc(C(=O)[O-])c(O)c1,C16927409_decoy,PA2GA,Decoy,0,-10.9217,-9.13,-2.46,-8.853781949442642
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])cc1,C66200258_decoy,PA2GA,Decoy,0,-10.6831,-8.12,-1.24,-7.495912160755812
O=C([O-])C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccccc3C(F)(F)F)o2)SC1=S,C10232846_decoy,PA2GA,Decoy,0,-12.1341,-7.51,-4.25,-9.015394352611628
CC(C)[C@@H](C(=O)[O-])n1c(SCC(=O)N2Cc3ccccc3C[C@H]2C(=O)[O-])nc2ccccc2c1=O,C13234231_decoy,PA2GA,Decoy,0,-10.7195,-8.11,-2.94,-9.502734520550424
C[C@H](Sc1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1[N+](=O)[O-])C(=O)[O-],C13274705_decoy,PA2GA,Decoy,0,-8.03707,-6.12,-2.0,-7.333892305647137
O=C([O-])c1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C(=O)[O-])cc2)cc1,C13358084_decoy,PA2GA,Decoy,0,-10.4965,-8.29,-2.4,-7.899728025290849
COC(=O)[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC[C@@H](C(=O)[O-])[C@@](C)(CC(=O)[O-])[C@@H]3C[C@@H](OC(C)=O)[C@@]21C,C19927961_decoy,PA2GA,Decoy,0,-11.2848,-4.68,-1.14,-6.75554004859249
C[C@@H](Oc1ccc(/C=C2/SC([N-]c3ccc(Cl)c(C(F)(F)F)c3)=NC2=O)cc1)C(=O)[O-],C16907183_decoy,PA2GA,Decoy,0,-12.9743,-7.54,-2.01,-9.84684129331284
CC[C@@H](Oc1ccc(/C=C2/SC([N-]c3ccc(Cl)cc3)=NC2=O)cc1)C(=O)[O-],C16907745_decoy,PA2GA,Decoy,0,-12.3532,-7.46,-1.56,-9.5861152991818
CCCCN(C)c1ccc([N-]S(=O)(=O)c2cc(C)cc(C)c2)cc1C(=O)[O-],C33253375_decoy,PA2GA,Decoy,0,-11.7275,-6.75,-0.62,-8.095023106570407
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2cccn2-c2ccc([N+](=O)[O-])cc2)SC1=S,C35516685_decoy,PA2GA,Decoy,0,-12.8885,-7.0,-1.87,-9.772756445583216
COCCOC(=O)C1=C(C)N=C2SC=C(C=C([O-])[O-])N2[C@H]1c1ccc(C)cc1C,C35674946_decoy,PA2GA,Decoy,0,-5.05409,-6.31,-1.24,-4.177031418451363
CCOC(=O)C1=C(C)N=C2SC=C(C=C([O-])[O-])N2[C@H]1c1ccc(OC)c(OC)c1,C36048910_decoy,PA2GA,Decoy,0,-7.31529,-6.83,-1.09,-5.957564107836784
O=C([O-])C[C@@H](C(=O)[O-])N1C(=O)/C(=C/C(Cl)=C/c2ccc([N+](=O)[O-])cc2)SC1=S,C32508930_decoy,PA2GA,Decoy,0,-10.3882,-6.24,-2.63,-6.593815704658669
CC1=C2C(=O)N=C(CSc3nnc(-c4cccc(C)c4)n3CC(=O)[O-])N=C2S[C@@H]1C(=O)[O-],C39646943_decoy,PA2GA,Decoy,0,-12.0858,-7.69,-3.26,-7.636465954833551
COc1ccc([C@@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)cc1OC,C13275884_decoy,PA2GA,Decoy,0,-10.3642,-6.39,-1.69,-7.043343195963782
COc1cc([C@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)ccc1OC(C)C,C13275974_decoy,PA2GA,Decoy,0,-9.90491,-7.98,-3.63,-9.355721999247097
Cc1cc([C@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)cc(C)c1OC(F)F,C13276032_decoy,PA2GA,Decoy,0,-9.88467,-9.56,-3.36,-10.184507472235492
CC(C)(C)c1ccc([C@@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2ccc(CC(=O)[O-])cc2)cc1,C13277898_decoy,PA2GA,Decoy,0,-10.7925,-5.01,-2.2,-5.429359538605599
CCc1ccc([C@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2nc3ccc(C(=O)[O-])cc3s2)cc1[N+](=O)[O-],C13278130_decoy,PA2GA,Decoy,0,-8.16698,-7.61,-2.89,-6.049752067510945
Cc1nc(SCC(=O)N(C2CCCC2)[C@H]2CCS(=O)(=O)C2)nc([O-])c1CCC(=O)[O-],C13450083_decoy,PA2GA,Decoy,0,-13.0715,-8.19,-2.48,-13.05729310440278
COc1ccc2c(CSc3nnc(CCC(=O)[O-])c([O-])n3)cc(=O)oc2c1,C13092880_decoy,PA2GA,Decoy,0,-11.7513,-7.92,-1.27,-9.202410959021533
C[C@H]1C=C(C(=O)CSc2nnc(CCC(=O)[O-])c([O-])n2)[C@H](C)N1c1ccc2c(c1)OCO2,C39704353_decoy,PA2GA,Decoy,0,-10.611,-8.34,-0.92,-12.925000749500697
C[C@@H]1C=C(C(=O)CSc2nnc(CCC(=O)[O-])c([O-])n2)[C@H](C)N1c1ccc(C(F)(F)F)cc1,C39704413_decoy,PA2GA,Decoy,0,-12.5189,-6.9,-1.33,-7.743855198095645
COc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)ccc1OC(C)C,C13193385_decoy,PA2GA,Decoy,0,-10.9958,-5.83,-1.3,-7.151022363194868
N#CCOc1ccccc1[C@@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1c1cccc(C(=O)[O-])c1,C13193801_decoy,PA2GA,Decoy,0,-10.0032,-7.47,-2.36,-8.84542514796871
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2cccs2)c(OC)c1,C13213061_decoy,PA2GA,Decoy,0,-10.2328,-8.75,-3.48,-8.881342810308212
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@@H]2c2sccc2C)c(OC)c1,C13213103_decoy,PA2GA,Decoy,0,-11.0176,-7.92,-2.28,-12.412527578071872
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@@H]2c2ccc(C)cc2C)c(OC)c1,C13213113_decoy,PA2GA,Decoy,0,-10.2374,-5.71,-2.7,-5.697700141596168
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2cccs2)cc1OC,C13213784_decoy,PA2GA,Decoy,0,-10.9781,-7.91,-2.06,-8.863848338546944
COc1cc(OC)cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2cccc(C(=O)[O-])c2)c1,C13214118_decoy,PA2GA,Decoy,0,-9.40667,-7.66,-2.71,-8.592126951328805
COc1ccc(OC)c(C(=O)C2=C([O-])C(=O)N(c3cccc(C(=O)[O-])c3)[C@H]2c2ccsc2)c1,C13214233_decoy,PA2GA,Decoy,0,-10.2768,-7.34,-1.26,-7.555534919045355
CC(C)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)OCO4)=C([O-])C(=O)N2c2ccc(CC(=O)[O-])cc2)cc1,C13217526_decoy,PA2GA,Decoy,0,-10.8058,-6.49,-1.95,-6.967909950072182
COc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2ccc(CC(=O)[O-])cc2)cc1OC(F)F,C13217848_decoy,PA2GA,Decoy,0,-10.5,-8.31,-3.53,-9.839202295776332
COC(=O)c1sc(S(=O)(=O)[N-]c2cc(Cl)ccc2C(=O)[O-])c(C(=O)OC)c1C,C13340550_decoy,PA2GA,Decoy,0,-10.9876,-7.91,-3.21,-9.374203602360293
O=C([O-])CCCCCN1C(=O)/C(=C/c2c([O-])nc3ccccn3c2=O)SC1=S,C40021939_decoy,PA2GA,Decoy,0,-11.061,-7.17,-1.25,-8.470797225579027
CCC(CC)[C@@H](c1c([O-])cc(=O)n(CC)c1C)c1c([O-])cc(C)n(CC)c1=O,C40568697_decoy,PA2GA,Decoy,0,-7.30354,-6.45,-1.56,-6.037777825847148
CN(C)c1ccc(/C=C2\SC(=S)N([C@@H](CCC(=O)[O-])C(=O)[O-])C2=O)cc1,C15034841_decoy,PA2GA,Decoy,0,-12.5426,-6.86,-3.84,-10.761180830867874
COc1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)F)cc1C(=O)[O-],C47949107_decoy,PA2GA,Decoy,0,-10.2155,-7.2,-1.36,-9.59019740088864
CC[C@@H](Oc1ccc(/C=C2/SC([N-]c3ccc(C)cc3C)=NC2=O)cc1)C(=O)[O-],C16907665_decoy,PA2GA,Decoy,0,-12.1095,-7.79,-1.03,-9.64498210787696
CC[C@H](Oc1ccc(/C=C2/SC([N-]c3ccc(C)c(C)c3)=NC2=O)cc1)C(=O)[O-],C16907673_decoy,PA2GA,Decoy,0,-11.2583,-8.43,-2.43,-9.268429982528144
CCCc1ccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c(C(=O)[O-])c1,C55600825_decoy,PA2GA,Decoy,0,-9.29575,-6.21,-4.61,-6.434822655576301
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1,C45774684_decoy,PA2GA,Decoy,0,-11.7079,-6.8,-2.15,-10.326720929863493
COc1cc(C(=O)[O-])c([N-]S(=O)(=O)c2ccc(C#N)c(Cl)c2)cc1OC(F)F,C60031054_decoy,PA2GA,Decoy,0,-9.71932,-7.7,-3.47,-7.970739886453338
COc1cc([N-]S(=O)(=O)c2cccc3cc(C)cnc23)c(C(=O)[O-])cc1OC(F)F,C60060014_decoy,PA2GA,Decoy,0,-9.12519,-8.03,-2.44,-8.1214645908992
CCN(CC)C(=O)c1ccc([N-]S(=O)(=O)c2cc(C(=O)[O-])c(F)cc2Cl)cc1,C60211025_decoy,PA2GA,Decoy,0,-9.84145,-7.78,-1.95,-6.974617587171131
O=C([O-])c1cc([N-]S(=O)(=O)c2cccs2)ccc1N1CCN(CC(=O)N2CCCC2)CC1,C63600939_decoy,PA2GA,Decoy,0,-12.0818,-6.04,-2.08,-7.380753484771167
CCCS(=O)(=O)[N-]c1cccc([N-]S(=O)(=O)c2ccc(C)s2)c1C,C64381371_decoy,PA2GA,Decoy,0,-10.2547,-8.12,-1.95,-9.5102940130088
CCCC(=O)N(Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1)[C@H](C(=O)[O-])C(C)C,C65749016_decoy,PA2GA,Decoy,0,-12.0761,-7.0,-3.51,-9.550127208170885
Cc1cc(S(=O)(=O)[N-]c2ccccc2S[C@@H](C)CC#N)sc1C(=O)[O-],C66813920_decoy,PA2GA,Decoy,0,-11.4089,-6.77,-3.08,-8.3877748748941
C[C@@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1,C66814102_decoy,PA2GA,Decoy,0,-13.5092,-8.03,-1.53,-15.681125679560582
C[C@H](CC#N)Sc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C(=O)[O-])c1,C66814104_decoy,PA2GA,Decoy,0,-13.1107,-6.76,-2.16,-9.294679297497211
COc1cc(/C=C\C(=O)[O-])cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)c1OC,C04567637_decoy,PA2GA,Decoy,0,-9.80463,-7.54,-2.14,-11.34544553559234
O=C([O-])/C=C/C(=O)Nc1ccc(-c2ccc(NC(=O)/C=C/C(=O)[O-])cc2)cc1,C00833024_decoy,PA2GA,Decoy,0,-8.01363,-6.8,-3.85,-6.118462889941947
O=C([O-])C[C@H](SCC(=O)Nc1cc(S(=O)(=O)N2CCCCCC2)ccc1Cl)C(=O)[O-],C09443551_decoy,PA2GA,Decoy,0,-13.8065,-7.69,-3.58,-12.01391023090519
COC(=O)c1cc(Br)ccc1S(=O)(=O)Nc1cc(C(=O)[O-])cc(C(=O)[O-])c1,C13027974_decoy,PA2GA,Decoy,0,-10.9818,-6.6,-1.91,-11.346986668634134
C/C(=N\Nc1ccc(Cl)c(C(=O)[O-])c1)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1,C13060776_decoy,PA2GA,Decoy,0,-11.4722,-7.8,-1.47,-7.276830839020056
C[C@H](C(=O)[O-])n1c(SCC(=O)Nc2c(Cl)cc(Cl)cc2C(=O)[O-])nc2ccccc2c1=O,C13233556_decoy,PA2GA,Decoy,0,-9.66994,-8.1,-1.04,-11.050277243116982
COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1OC,C13261907_decoy,PA2GA,Decoy,0,-8.99748,-7.21,-3.6,-7.76920616306765
CC(C)C[C@H](NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1-c1ccccc1)C(=O)[O-],C13273605_decoy,PA2GA,Decoy,0,-9.61513,-9.04,-3.41,-10.92826380716699
C=CCn1c(SCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])nc2cc(C(=O)[O-])ccc2c1=O,C13273706_decoy,PA2GA,Decoy,0,-11.4192,-8.75,-2.2,-9.388276445349542
COc1cc(/C=C/C(=O)[O-])ccc1Oc1ccc(S(N)(=O)=O)cc1C(=O)[O-],C13273819_decoy,PA2GA,Decoy,0,-9.2491,-7.91,-2.94,-6.868126416201146
C[C@H](C(=O)[O-])n1c(SCC(=O)Nc2cc(F)ccc2C(=O)[O-])nc2ccccc2c1=O,C13274492_decoy,PA2GA,Decoy,0,-8.65224,-8.01,-3.33,-7.535272775678892
CC(C)[C@H](C(=O)[O-])n1c(SCC(=O)Nc2cc(F)ccc2C(=O)[O-])nc2ccccc2c1=O,C13274540_decoy,PA2GA,Decoy,0,-9.9908,-8.42,-2.55,-9.250036633106063
CC(C)C[C@H](NC(=O)CSc1nnc(-c2cccs2)n1[C@@H](C(=O)[O-])C(C)C)C(=O)[O-],C13274556_decoy,PA2GA,Decoy,0,-10.1971,-7.44,-3.16,-8.93267769470184
O=C([O-])C[C@H](NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1)c1ccccc1Cl,C13342956_decoy,PA2GA,Decoy,0,-11.848,-8.28,-2.41,-11.702830769584155
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)c1OC,C13348251_decoy,PA2GA,Decoy,0,-11.0167,-6.26,-2.18,-8.54864814898564
Cc1sc2nc(SCC(=O)Nc3cc(C(=O)[O-])cc(C(=O)[O-])c3)n(C(C)C)c(=O)c2c1C,C13353938_decoy,PA2GA,Decoy,0,-11.415,-7.35,-1.49,-8.598630705918914
C=CCNc1nnc(SCC(=O)Nc2cc(C(=O)[O-])cc(C(=O)[O-])c2)s1,C13364297_decoy,PA2GA,Decoy,0,-11.149,-7.62,-0.6,-9.014784927752752
O=C([O-])c1ccc(C(=O)[O-])c(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1,C13392306_decoy,PA2GA,Decoy,0,-11.7163,-8.81,-2.0,-8.81819450397004
C=CCn1c(SCC(=O)Nc2cc(C(=O)[O-])ccc2C(=O)[O-])nc2sc3c(c2c1=O)CCCC3,C13416053_decoy,PA2GA,Decoy,0,-12.5386,-7.04,-4.68,-7.962628206113339
C=CCn1c(SCC(=O)Nc2cc(C(=O)[O-])ccc2C(=O)[O-])nc2sc3c(c2c1=O)CCC3,C13416151_decoy,PA2GA,Decoy,0,-11.9127,-8.78,-2.29,-8.188775986322195
CCN1C(=O)/C(=C/c2ccc(O[C@@H](C)C(=O)[O-])cc2)S/C1=N\c1ccc(C(=O)[O-])c(O)c1,C16928193_decoy,PA2GA,Decoy,0,-12.0567,-9.1,-3.86,-6.153080208481628
CCN1C(=O)/C(=C/c2ccc(O[C@H](C)C(=O)[O-])cc2)S/C1=N\c1ccc(C(=O)[O-])c(O)c1,C16928197_decoy,PA2GA,Decoy,0,-11.2343,-8.75,-1.71,-7.801043967259792
CCN1C(=O)/C(=C/c2cccc(O[C@@H](C)C(=O)[O-])c2)S/C1=N\c1ccc(C(=O)[O-])c(O)c1,C16928212_decoy,PA2GA,Decoy,0,-13.1479,-8.57,-1.31,-10.407671224076635
CC[C@H](Oc1cccc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)c1)C(=O)[O-],C16929418_decoy,PA2GA,Decoy,0,-11.118,-7.87,-4.33,-8.083414140181384
C=CCSc1nc([O-])c(C(c2cccc(OC)c2)c2c([O-])nc(SCC=C)[nH]c2=O)c(=O)[nH]1,C16213770_decoy,PA2GA,Decoy,0,-13.6778,-5.35,-3.19,-7.988894590116487
CC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1C#C[P@](=O)([O-])C[C@H](O)CC(=O)[O-],C26674773_decoy,PA2GA,Decoy,0,-10.9036,-8.25,-1.62,-10.83124084056554
CC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1/C=C/[P@@](=O)([O-])C[C@H](O)CC(=O)[O-],C26675383_decoy,PA2GA,Decoy,0,-10.0081,-5.41,-1.52,-6.744107288667463
Cc1cccc([N-]S(=O)(=O)c2ccc(C)c(NS(=O)(=O)c3cc(C(=O)[O-])n(C)c3)c2)c1,C23055711_decoy,PA2GA,Decoy,0,-11.5309,-9.43,-3.51,-10.798036537156795
O=C([O-])/C=C\C(=O)Nc1ccc(Oc2ccc(NC(=O)/C=C\C(=O)[O-])cc2)cc1,C33340095_decoy,PA2GA,Decoy,0,-10.933,-7.51,-4.31,-10.042888782651596
CC(C)(CNC(=O)[C@@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-])CNC(=O)[C@H]1[C@@H]2CC[C@@H](C2)[C@@H]1C(=O)[O-],C17098969_decoy,PA2GA,Decoy,0,-9.94177,-9.32,-1.6,-10.140100411038448
NS(=O)(=O)[N-]c1cccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)c1,C39558436_decoy,PA2GA,Decoy,0,-10.722,-10.09,-2.22,-9.638743269443022
CC(=O)Nc1ccc([C@H]2C(C(=O)C3CC3)=C([O-])C(=O)N2c2ccc(CC(=O)[O-])cc2)cc1,C13277803_decoy,PA2GA,Decoy,0,-10.0884,-8.58,-1.61,-10.025290381921405
Cc1nc(SCC(=O)N[C@@H]2CCC[C@@H](C)[C@H]2C)nc([O-])c1CCC(=O)[O-],C13447495_decoy,PA2GA,Decoy,0,-12.3878,-7.54,-1.02,-10.280124588987798
Cc1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1S(=O)(=O)[N-]c1ccccc1Cl,C13345928_decoy,PA2GA,Decoy,0,-11.4319,-6.05,-1.75,-7.458971399488028
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1,C13367308_decoy,PA2GA,Decoy,0,-10.8262,-9.95,-3.19,-10.14601964547266
C=CCSc1nc([O-])c(C(c2ccncc2)c2c([O-])nc(SCC=C)[nH]c2=O)c(=O)[nH]1,C12343936_decoy,PA2GA,Decoy,0,-11.927,-5.27,-2.46,-6.983347518218335
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1,C28632055_decoy,PA2GA,Decoy,0,-11.3608,-6.69,-2.33,-7.51271386756685
COC(=O)c1c(NC(=O)CSc2nc(C)c(CCC(=O)[O-])c([O-])n2)sc2c1CCC2,C13448030_decoy,PA2GA,Decoy,0,-13.2198,-7.2,-1.8,-10.3562453382438
CCS(=O)(=O)[N-]c1ccc(NS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1,C48382961_decoy,PA2GA,Decoy,0,-8.7302,-7.66,-1.8,-7.927187860584252
COc1cc(/C=C2/SC([N-]c3ccc(O)cc3)=NC2=O)ccc1OCCC(=O)[O-],C16912272_decoy,PA2GA,Decoy,0,-12.6567,-7.51,-1.65,-9.59640507929158
CC[C@H](Oc1ccc(/C=C2/SC([N-]c3cc(C)ccc3O)=NC2=O)cc1OC)C(=O)[O-],C16913287_decoy,PA2GA,Decoy,0,-11.0586,-6.2,-1.51,-6.000104687682017
Cc1ccc(NC(=O)C[C@@H]2SC([N-]c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)=NC2=O)cc1,C39843637_decoy,PA2GA,Decoy,0,-11.7849,-8.79,-1.8,-9.313891436550607
CCCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C)c(C(=O)[O-])s2)cc1,C55665561_decoy,PA2GA,Decoy,0,-11.4762,-6.38,-0.78,-7.819137314915288
CC[C@@H](C)NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1,C57121443_decoy,PA2GA,Decoy,0,-12.1137,-8.36,-2.71,-13.19550796325226
CC(C)NC(=O)CN1CCN(c2ccc([N-]S(=O)(=O)c3cccs3)cc2C(=O)[O-])CC1,C58009195_decoy,PA2GA,Decoy,0,-12.0179,-8.5,-2.84,-12.27386048005418
C=CCN1C(=O)/C(=C/c2cccc(O[C@H](C)C(=O)[O-])c2)S/C1=N/c1ccc(O)cc1C(=O)[O-],C16927137_decoy,PA2GA,Decoy,0,-12.5548,-7.67,-4.98,-7.990464854105963
CC[C@@H](Oc1cccc(/C=C2\S/C(=N/c3ccc(O)cc3C(=O)[O-])N(C)C2=O)c1)C(=O)[O-],C16930942_decoy,PA2GA,Decoy,0,-13.4637,-7.87,-2.43,-9.158925461145598
CC[C@@H](Oc1ccc(/C=C2\SC([N-]c3ccc(C)cc3O)=NC2=O)cc1)C(=O)[O-],C16937307_decoy,PA2GA,Decoy,0,-11.0159,-7.81,-1.42,-8.533246382843991
CC[C@@H](Oc1ccc(/C=C2\S/C(=N\c3ccc(O)cc3C(=O)[O-])N(C)C2=O)cc1)C(=O)[O-],C16930925_decoy,PA2GA,Decoy,0,-11.5394,-6.74,-2.54,-8.102256079502608
C/C(=N\CCC[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])C1=C([O-])CC(C)(C)CC1=O,C66349147_decoy,PA2GA,Decoy,0,-9.666,-6.64,-3.0,-6.669637749642337
CC(C)[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-],C02891968_decoy,PA2GA,Decoy,0,-10.5595,-8.63,-2.47,-9.95104057344579
Cc1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)Nc3ccccc3C(=O)[O-])c2)c(C)c1,C09540074_decoy,PA2GA,Decoy,0,-10.2222,-5.82,,99.0
CSCC[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-],C12381660_decoy,PA2GA,Decoy,0,-10.1826,-5.52,-3.57,-4.673376538708936
Cc1c(CC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(=O)oc2cc3occ(C(C)(C)C)c3cc12,C02120874_decoy,PA2GA,Decoy,0,-10.5887,-10.05,-1.65,-13.732017703367289
Cc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)c2)cc1C,C13030467_decoy,PA2GA,Decoy,0,-9.42453,-9.57,-2.79,-8.246073288082053
C[C@H](NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1CCO)c1ccc2c(c1)CCCC2,C13046461_decoy,PA2GA,Decoy,0,-10.8728,-8.55,-3.76,-9.444989510922234
C[C@@H](O)Cn1c(SCC(=O)Nc2ccc(Br)cc2)nc2cc(C(=O)[O-])ccc2c1=O,C13051054_decoy,PA2GA,Decoy,0,-10.3657,-7.7,-2.4,-8.435390045894781
C/C(=N\NC(=O)c1ccc(C)cc1)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1,C13060889_decoy,PA2GA,Decoy,0,-10.6314,-7.56,-3.91,-7.315815774748403
C/C(=N\NC(=S)Nc1ccc(Cl)cc1)c1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1,C13066514_decoy,PA2GA,Decoy,0,-11.8644,-6.83,-2.83,-8.685262921035603
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(=O)C(C)(C)C)cc3)cs2)cc1C(=O)[O-],C13195425_decoy,PA2GA,Decoy,0,-12.1586,-9.04,-1.89,-14.528236430173251
CC(C)(C)C(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(C(=O)[O-])cc3)n2)cc1,C13195437_decoy,PA2GA,Decoy,0,-11.7599,-8.31,-4.77,-12.087291542628346
CSc1ccc(-c2csc(NS(=O)(=O)c3ccc(C)c(C(=O)[O-])c3)n2)cc1NC(C)=O,C13239868_decoy,PA2GA,Decoy,0,-10.2245,-8.15,-2.62,-7.518518332508454
COCCNc1nnc(SCC(=O)Nc2ccc(I)cc2C(=O)[O-])s1,C13244112_decoy,PA2GA,Decoy,0,-12.6594,-7.37,-1.8,-9.982499660624184
O=C([O-])c1cc(S(=O)(=O)NCCC/C(=N/O)c2cccs2)ccc1Br,C13248688_decoy,PA2GA,Decoy,0,-11.109,-6.45,-1.45,-8.399315669990024
Cc1ccc(NS(=O)(=O)c2cc(NC(=O)CC3(C(=O)[O-])CCCC3)ccc2Cl)c(C)c1,C13248980_decoy,PA2GA,Decoy,0,-13.2454,-8.62,-2.18,-12.71610977996814
COc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1NS(=O)(=O)c1ccc(Cl)c(Cl)c1,C13251329_decoy,PA2GA,Decoy,0,-11.4035,-7.59,-4.81,-8.312588020863881
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,C13251865_decoy,PA2GA,Decoy,0,-12.5798,-10.09,-1.55,-11.643487186409097
Cc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,C13251870_decoy,PA2GA,Decoy,0,-12.0422,-10.02,-2.25,-8.586413067948182
Cc1ccc(S(=O)(=O)Nc2cccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)c2)cc1C,C13302408_decoy,PA2GA,Decoy,0,-9.83006,-9.16,-2.29,-9.827968540243642
CC(=O)N[C@@H](C)c1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)n2)cc1,C13302485_decoy,PA2GA,Decoy,0,-12.1556,-9.13,-2.43,-8.46244068572637
O=C([O-])CCNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1,C13394714_decoy,PA2GA,Decoy,0,-11.3337,-7.04,-2.72,-7.465492470712915
COC(=O)C1=C([O-])NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@@H]1c1ccc(C)cc1,C20029050_decoy,PA2GA,Decoy,0,-11.5707,-9.77,-4.05,-9.562545428034944
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)nc1[O-],C21882739_decoy,PA2GA,Decoy,0,-12.3307,-9.69,-3.45,-9.391151804005618
C[C@H](CCCOC(=O)CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3[C@H](O)C[C@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C,C22061730_decoy,PA2GA,Decoy,0,-12.0624,-8.68,-2.14,-12.816262430185455
O=C(NCCNC(=O)c1ccco1)c1cccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)c1,C23041674_decoy,PA2GA,Decoy,0,-9.21052,-8.35,-2.45,-7.729258044170214
O=C(CCc1ccsc1)NNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1,C24093836_decoy,PA2GA,Decoy,0,-11.2085,-8.4,-4.39,-7.808216680687647
O=C(NNC(=O)c1cc(F)ccc1F)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1,C24778889_decoy,PA2GA,Decoy,0,-11.6393,-5.95,-2.31,-7.068991155500444
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c(C(F)(F)F)nn(-c2ccccn2)c1-c1ccc(F)cc1,C26180735_decoy,PA2GA,Decoy,0,-11.6876,-8.5,-2.1,-11.5967119134045
O=C(NNC(=O)c1cc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)ccc1Cl)c1cccnc1,C27635151_decoy,PA2GA,Decoy,0,-11.3868,-8.35,-2.62,-11.404586655089716
Cc1cccc(C(=O)N[C@@H](N/C(=N/C#N)[N-]c2cncc(Br)c2)C(C)(Cl)Cl)c1,C28866558_decoy,PA2GA,Decoy,0,-9.96888,-6.68,-1.52,-7.6749779099765405
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc4ccccc4c3)cc2)n1,C30830694_decoy,PA2GA,Decoy,0,-13.2193,-6.53,-2.48,-8.14835139675064
Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1NC(=O)c1ccccc1,C20630717_decoy,PA2GA,Decoy,0,-12.099,-7.84,-1.82,-9.155831807730344
CSCC[C@H](CO)NC(=O)c1ccc2nc([N-]S(=O)(=O)c3ccc(Cl)cc3)sc2c1,C36569620_decoy,PA2GA,Decoy,0,-13.103,-7.72,-1.87,-9.232533418867028
C[C@@H]1C=C(/C=C(/C#N)C(=O)NCCc2c[nH]c3ccccc23)[C@@H](C)N1c1ccccc1C(=O)[O-],C39351975_decoy,PA2GA,Decoy,0,-12.4185,-8.97,-2.54,-11.175703049828437
CSS(=O)(=O)[N-]c1ccc(-c2ccccc2O)cc1N1CCN[C@H](S(=O)(=O)C(C)C)C1,C39482576_decoy,PA2GA,Decoy,0,-12.6397,-8.91,-3.28,-11.350951945121862
CC(C)[C@H](NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@H](C)O)c1cccs1,C13052590_decoy,PA2GA,Decoy,0,-12.0217,-8.59,-2.47,-9.090121816498256
NC(=O)CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S,C39862144_decoy,PA2GA,Decoy,0,-12.8902,-7.56,-3.33,-12.639249962177438
CC1=C(C(=O)[O-])[C@@H](n2c(C)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)S[C@@H]1C,C39939198_decoy,PA2GA,Decoy,0,-10.7875,-8.82,-4.16,-8.018922933476253
COc1cc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2CCCO)cc(Br)c1O,C40053745_decoy,PA2GA,Decoy,0,-12.7037,-6.29,-3.52,-7.575170828119925
CC[C@@H](C)C[C@H](C)/C=C(\C)[C@H]1O[C@@H](c2c([O-])c([C@]3(O)CCC(=O)C[C@@H]3O)cn(C)c2=O)CC[C@@H]1C,C40577144_decoy,PA2GA,Decoy,0,-11.0298,-9.41,-4.12,-11.583110778843954
CC[C@H](C)[C@H](NC(=O)CO/N=C1/C=C2CC[C@H]3[C@@H](CC[C@]4(C)[C@@H]3CC[C@@]4(C)O)[C@]2(C)CC1)C(=O)[O-],C43743415_decoy,PA2GA,Decoy,0,-11.0037,-8.48,-3.09,-8.170888191415797
Cc1ccccc1NS(=O)(=O)c1ccc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)cc1,C44900894_decoy,PA2GA,Decoy,0,-11.5755,-7.46,-3.63,-7.483163577560378
O=C(Nc1cccc(C(=O)NC2CC2)c1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(F)cc2)c1,C14482206_decoy,PA2GA,Decoy,0,-11.1124,-8.51,-1.06,-7.893307988663603
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N/N=C/c3ccccc3C(=O)[O-])c2)c(C)c1,C06165949_decoy,PA2GA,Decoy,0,-11.3344,-7.59,-1.6,-7.768879574410219
O=C(NC[C@H](c1ccccc1)c1c[nH]c2ccccc12)c1cnn(-c2ccc([O-])nn2)c1C(F)(F)F,C46571032_decoy,PA2GA,Decoy,0,-12.1513,-8.46,-2.11,-9.813835390689247
Cc1nc(-c2ccccc2)sc1C(=O)NNC(=O)c1cccc([N-]S(=O)(=O)c2cccs2)c1,C46903139_decoy,PA2GA,Decoy,0,-12.5493,-9.66,-3.18,-9.54297392447039
O=C(COc1ccc(C(F)(F)F)cc1)NNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1,C46904169_decoy,PA2GA,Decoy,0,-10.9786,-7.87,-3.21,-9.22132627053536
CC[C@H](C)[C@@H](NC(=O)CO/N=C1/C=C2CC[C@@H]3[C@@H](CC[C@@]4(C)[C@@H]3CC[C@]4(C)O)[C@@]2(C)CC1)C(=O)[O-],C51336668_decoy,PA2GA,Decoy,0,-12.8392,-8.19,-1.59,-8.048685666660418
O=C(NNc1cccc(C(F)(F)F)c1)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1,C58573507_decoy,PA2GA,Decoy,0,-10.3842,-8.87,-3.68,-9.865818006180271
CC(C)(C)C(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccc(F)cc3)CC2)cc1C(=O)[O-],C64589994_decoy,PA2GA,Decoy,0,-12.0143,-7.04,-3.61,-6.858450403724393
C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)CCCCCC,C04796965_decoy,PA2GA,Decoy,0,-8.6239,-7.12,-4.32,-9.511976970895809
CCCCC/C(=C\c1ccccc1)CN(C(=O)[C@H](CC)c1ccccc1)[C@@H](C)CC,C06739986_decoy,PA2GA,Decoy,0,-9.64538,-6.67,-4.02,-8.737157923946379
CCCCC/C(=C\c1ccccc1)CN(C(=O)[C@H](CC)c1ccccc1)[C@H](C)CC,C06739987_decoy,PA2GA,Decoy,0,-8.80676,-6.97,-3.51,-9.020283912590832
C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)C[C@H](C)CC(C)(C)C,C06838654_decoy,PA2GA,Decoy,0,-9.70007,-6.63,-2.77,-8.78426638750951
CC1=C(C/C=C(/C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C12503234_decoy,PA2GA,Decoy,0,-9.90989,-7.19,-3.25,-8.458060054940207
CCCCC[C@H](C)NC(=O)CSc1nnc(-c2cccs2)n1[C@H](C(=O)[O-])C(C)C,C13245746_decoy,PA2GA,Decoy,0,-11.8726,-7.41,-3.83,-9.330415845336375
CCCCN(C(=O)CSc1nnc(-c2cccs2)n1[C@H](C(=O)[O-])C(C)C)[C@@H](C)CC,C13271588_decoy,PA2GA,Decoy,0,-10.9944,-7.11,-2.96,-9.023517819989918
O=C(CSCCCCCCSCC(=O)c1ccc(Cl)cc1)c1ccc(Cl)cc1,C16400715_decoy,PA2GA,Decoy,0,-11.9342,-6.66,-1.68,-9.642089575941982
O=C([O-])CCCCCCCCCN1C(=O)/C(=C/c2ccc(C(=O)[O-])cc2)SC1=S,C16926505_decoy,PA2GA,Decoy,0,-11.6181,-6.85,-1.83,-9.5820526435694
CCCCCNC(=O)[C@@H]1COC(c2ccc(/C(=C\CCCCC(=O)[O-])c3cccnc3)cc2)=N1,C29565473_decoy,PA2GA,Decoy,0,-12.78,-8.95,-2.85,-12.098286165206313
c1ccc(-c2nc(CSCCCCCCCCSCc3csc(-c4ccccc4)n3)cs2)cc1,C30952708_decoy,PA2GA,Decoy,0,-13.9354,-6.71,-3.05,-11.633925614161903
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S,C33396095_decoy,PA2GA,Decoy,0,-13.3834,-7.25,-2.04,-15.16896883443592
CC[C@@H](C(=O)N(CCOC)CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)c1ccccc1,C33414982_decoy,PA2GA,Decoy,0,-10.5441,-6.83,-4.24,-8.9514885165562
CC[C@@H](C(=O)N(CCOC)CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)c1ccccc1,C33474363_decoy,PA2GA,Decoy,0,-10.9076,-6.89,-1.04,-9.19751883640306
C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)c1ccc(CCCC)cc1,C33510428_decoy,PA2GA,Decoy,0,-9.245,-7.69,-2.81,-8.24890668893834
CCOc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CCCOC)ccc1OCCC(C)C,C33546727_decoy,PA2GA,Decoy,0,-11.4818,-6.37,-2.82,-8.389993819507827
CCc1ccc(C(=O)N(CCCOC)CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)cc1,C33652378_decoy,PA2GA,Decoy,0,-9.07637,-7.85,-3.17,-8.944730247387009
CC[C@H](C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)COCc1ccccc1,C33669824_decoy,PA2GA,Decoy,0,-10.386,-7.59,-3.42,-9.633092706246968
CCCCCOC(=O)S[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4C[C@@H]([C@@H](C)CCCC(C)C)C[C@@]4(C)CC[C@H]32)C1,C33671049_decoy,PA2GA,Decoy,0,-12.8498,-7.28,-4.56,-9.501310976235558
COCCCN(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C(=O)c1ccc(C(F)(F)F)cc1,C33722285_decoy,PA2GA,Decoy,0,-10.5293,-7.88,-3.73,-9.82513943614777
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C(=O)C1CCCC1,C33724934_decoy,PA2GA,Decoy,0,-8.94775,-7.48,-2.85,-7.890692424822338
CCCCCCOC(=O)S[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@H]32)C1,C33757381_decoy,PA2GA,Decoy,0,-13.0901,-7.3,,99.0
CCCCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)CN(CC)C(=O)C1CC1,C34718559_decoy,PA2GA,Decoy,0,-10.9896,-7.36,-4.38,-10.786003477285089
C=CCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)CCc1ccccc1,C34896358_decoy,PA2GA,Decoy,0,-9.31977,-6.88,-2.88,-8.847234542218702
COCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)CCc1ccccc1,C35044895_decoy,PA2GA,Decoy,0,-10.4656,-7.94,-3.12,-9.406958413476206
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)c1ccc(CC)cc1,C35125687_decoy,PA2GA,Decoy,0,-9.88311,-7.49,-3.86,-9.68550307827424
COCCCN(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C(=O)[C@@H]1C[C@H]1c1ccccc1,C35384028_decoy,PA2GA,Decoy,0,-9.64443,-8.55,-3.27,-9.354905087911922
CCOc1cc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2CCOC)ccc1OCCC(C)C,C35443247_decoy,PA2GA,Decoy,0,-9.47015,-7.4,-3.27,-8.722719178239995
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)C1CCCC1,C35799149_decoy,PA2GA,Decoy,0,-9.85797,-6.01,-5.29,-7.776556092579606
CCCCOc1ccc(/C=C(C#N)/C([O-])=N/c2nnc(SCCCC)s2)cc1OC,C39997032_decoy,PA2GA,Decoy,0,-12.423,-6.65,-2.13,-7.557562547013443
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OCCC(C)C)c(OCC)c1,C40026206_decoy,PA2GA,Decoy,0,-9.3457,-7.5,-2.32,-9.368342226340229
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C([O-])C(=O)N2CC=C)cc1OC,C40026902_decoy,PA2GA,Decoy,0,-10.0785,-6.93,-3.14,-10.831137039882368
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C([O-])C(=O)N2CC=C)cc1OC,C40026903_decoy,PA2GA,Decoy,0,-11.0463,-6.95,-2.59,-10.424984410835863
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC=C)[C@H]2c2ccc(OCC=C)c(OC)c2)cc1C,C40027545_decoy,PA2GA,Decoy,0,-11.1689,-6.2,-2.47,-8.748849461782566
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CC=C)[C@@H]2c2ccc(OCCC)c(OCC)c2)c1,C40029876_decoy,PA2GA,Decoy,0,-10.0263,-7.59,-4.13,-10.038969480356917
C=CCOc1ccccc1[C@H]1C(C(=O)c2cccc(OCc3ccc(F)cc3)c2)=C([O-])C(=O)N1CCCO,C40055063_decoy,PA2GA,Decoy,0,-11.4516,-7.99,-2.05,-9.417153972619518
CCCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@H]1c1ccc(OCCC(C)C)c(OCC)c1,C40068450_decoy,PA2GA,Decoy,0,-10.3911,-8.17,-2.72,-9.656736047499242
Cc1cc(OCC(C)C)ccc1C(=O)C1=C([O-])C(=O)N(CCOCCO)[C@@H]1c1ccc(C(C)C)cc1,C40084719_decoy,PA2GA,Decoy,0,-11.9679,-8.13,-3.31,-10.095220534166822
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@H]2c2cccc(OCCC(C)C)c2)cc1C,C40092210_decoy,PA2GA,Decoy,0,-11.1091,-8.8,-3.73,-10.572172335191585
C=CCOc1ccc([C@H]2C(C(=O)c3cccc(OCC)c3)=C([O-])C(=O)N2CCCC)cc1OC,C40101131_decoy,PA2GA,Decoy,0,-9.86215,-5.83,-2.57,-7.662989322302887
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(OCC=C)c(OC)c2)c1,C40102480_decoy,PA2GA,Decoy,0,-10.1425,-7.24,-2.4,-9.132770109560688
CCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)C[C@@H](C)CC(C)(C)C,C40372151_decoy,PA2GA,Decoy,0,-10.6309,-7.08,-1.51,-7.950732288969118
C=C[C@H](CCC1(CC[C@@H](C=C)Sc2ccccc2)CCCC1=O)Sc1ccccc1,C43198817_decoy,PA2GA,Decoy,0,-12.1076,-7.25,-1.94,-11.182513711692607
O=C1CCCC1(CC/C=C/CSc1ccccc1)CC/C=C/CSc1ccccc1,C43762898_decoy,PA2GA,Decoy,0,-10.8316,-7.39,-2.4,-9.848633376300572
CC1=C(CC[C@H](C)CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C14883354_decoy,PA2GA,Decoy,0,-9.96208,-7.8,-1.38,-11.609329431887645
CC1=C(CC[C@@H](C)CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C44136243_decoy,PA2GA,Decoy,0,-10.6769,-7.44,-1.28,-10.756346584608991
CCOc1cc(C[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])ccc1OCC(C)C,C44321127_decoy,PA2GA,Decoy,0,-10.6879,-8.97,-2.66,-10.35246042499942
CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1C)[C@H](C)CC,C04374700_decoy,PA2GA,Decoy,0,-8.56019,-7.06,-2.64,-8.681013583004134
CCCCCCCCCCCCCCCC(=O)OC[C@@H](O)c1oc(O)c([O-])c1O,C17838218_decoy,PA2GA,Decoy,0,-11.2742,-7.1,,99.0
CC1=C(CC[C@@H](C)CCC[C@H](C)CCC[C@H](C)CCCC(C)C)C(=O)c2ccccc2C1=O,C38429648_decoy,PA2GA,Decoy,0,-11.2475,-7.7,-2.35,-11.445079080320156
CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1,C08763339_decoy,PA2GA,Decoy,0,-12.1178,-8.82,-3.94,-11.470150830084656
COc1cccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)c1,C08765553_decoy,PA2GA,Decoy,0,-11.5831,-7.15,-3.7,-7.978220210864388
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C/c2cccc(Cl)c2)SC1=S,C08821562_decoy,PA2GA,Decoy,0,-13.2617,-7.24,-1.57,-9.731105262181565
CCCCC[C@H](C)NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1CCCC,C13044491_decoy,PA2GA,Decoy,0,-9.70691,-7.18,-2.41,-8.934787105798089
CCCOc1c(Cl)cc(/C=C/C(=O)c2ccc(OC)c(CSCC(=O)[O-])c2)cc1OCC,C13216763_decoy,PA2GA,Decoy,0,-10.6459,-6.0,-3.01,-7.6166970544482595
CCCCCc1cc(C(=O)N[C@@H](CCSC)C(=O)[O-])c(-c2ccccc2C)cc1COc1cccnc1,C13800695_decoy,PA2GA,Decoy,0,-12.2639,-6.78,-2.43,-9.924195710827082
CC(/C=C1\SC(=S)N(CCCCCCCCCC(=O)[O-])C1=O)=C\c1ccccc1,C16926612_decoy,PA2GA,Decoy,0,-11.2143,-7.0,-2.23,-9.06993817175952
O=C(CCCCCCCOc1ncc(Cc2cccnc2)c([O-])n1)c1ccc(Cl)cc1,C06142671_decoy,PA2GA,Decoy,0,-10.7555,-7.71,-1.47,-10.077746200245858
COc1cccc2c1O[C@@H](C)C(/C=C1\SC(=S)N(CCCCCCCCCCC(=O)[O-])C1=O)=C2,C33514471_decoy,PA2GA,Decoy,0,-11.6484,-7.65,-3.89,-8.232605615339118
CCCCOc1ccc([C@H]2C(C(=O)c3cccc(OCC)c3)=C([O-])C(=O)N2Cc2ccccc2)cc1OC,C33532337_decoy,PA2GA,Decoy,0,-11.6824,-8.37,-2.51,-14.373714300869649
CCCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2CCc2ccccc2)cc1OCC,C33532366_decoy,PA2GA,Decoy,0,-10.2042,-7.16,-2.61,-10.594330580066826
CCOc1cc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CCCOC)ccc1OCc1ccccc1,C33541594_decoy,PA2GA,Decoy,0,-9.58104,-7.12,-3.77,-9.586859675418143
CCCCOc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)cc1OCC,C35444671_decoy,PA2GA,Decoy,0,-9.49211,-7.68,-2.19,-9.079577074410231
CCCCCOc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)cc1OCC,C35444677_decoy,PA2GA,Decoy,0,-11.3972,-7.58,-3.36,-9.078673054906782
CCCCCC[C@H](C(=O)[O-])c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1,C28464447_decoy,PA2GA,Decoy,0,-11.7336,-6.63,-3.32,-8.683147676680706
CCCCCC[C@@H](C(=O)[O-])c1csc(NC(=O)c2cccc(COc3ccccc3)n2)n1,C28464442_decoy,PA2GA,Decoy,0,-14.1008,-8.89,-1.94,-18.219545990475247
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2CCOC)cc1,C09463319_decoy,PA2GA,Decoy,0,-9.32621,-6.82,-4.05,-7.548775535560941
CC(=O)OC/C=C(/CC/C=C(\C)CC/C=C(/CCC=C(C)C)C(=O)[O-])COC(C)=O,C31158560_decoy,PA2GA,Decoy,0,-10.2809,-7.26,-2.62,-9.223433984659325
CC(C)CCC[C@H](C)NC(=O)CSc1nc2ccccc2c(=O)n1[C@@H](Cc1ccccc1)C(=O)[O-],C13333074_decoy,PA2GA,Decoy,0,-10.7938,-8.55,-3.3,-10.72243441539664
O=C([O-])CCCCCCCCCCN1C(=O)/C(=C\c2ccc(OCc3ccccc3F)cc2)SC1=S,C40006466_decoy,PA2GA,Decoy,0,-12.8476,-7.55,-3.92,-12.48938656337161
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(OCCC)c(OCC)c1,C40026847_decoy,PA2GA,Decoy,0,-11.3191,-7.23,-1.57,-13.29273251710966
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(OCC)c(OCC)c1,C40027806_decoy,PA2GA,Decoy,0,-9.96651,-6.66,-2.23,-9.507802149056948
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(OCCCC)c(OCC)c1,C40029279_decoy,PA2GA,Decoy,0,-11.5515,-7.35,-1.46,-14.90294252397984
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCc3ccc(F)cc3)c2)[C@@H]1c1ccccc1OCCCC,C40030523_decoy,PA2GA,Decoy,0,-11.5943,-8.35,-3.86,-9.436618460326402
CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc(OCc4ccc(F)cc4)cc3)=C([O-])C(=O)N2CCCO)cc1,C40055357_decoy,PA2GA,Decoy,0,-12.3651,-8.42,-3.05,-9.52925531288309
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC)cc2)[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1,C40077482_decoy,PA2GA,Decoy,0,-9.97331,-8.51,-2.71,-11.424863590501891
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)cc2C)[C@@H]1c1ccc(OCC(C)C)c(OC)c1,C40082056_decoy,PA2GA,Decoy,0,-10.6858,-7.89,-2.31,-17.54564909020933
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2CCCC)c1,C40082703_decoy,PA2GA,Decoy,0,-10.0422,-7.63,-2.75,-9.376702563562269
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2CCCC)cc1OCC,C40082733_decoy,PA2GA,Decoy,0,-11.1529,-7.37,-3.28,-13.632051643489866
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@@H]2c2cccc(OCCC(C)C)c2)c(C)c1,C40083814_decoy,PA2GA,Decoy,0,-9.27423,-7.57,-1.34,-7.624010054269222
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCCC)cc3C)=C([O-])C(=O)N2CCCC)cc1OCC,C40084093_decoy,PA2GA,Decoy,0,-9.06582,-6.51,-4.28,-6.977645452779472
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccc(OCC(C)C)c(OC)c2)c(C)c1,C40084173_decoy,PA2GA,Decoy,0,-11.5974,-6.43,-2.37,-7.806790826376515
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1ccc(OCC)c(OC)c1,C40084943_decoy,PA2GA,Decoy,0,-8.65051,-7.7,-2.65,-7.049127162161265
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@@H]1c1cccc(OCCC)c1,C40084988_decoy,PA2GA,Decoy,0,-10.73,-7.75,-2.53,-8.785553168214664
Cc1cc(C(=O)C2=C([O-])C(=O)N(CCO)[C@H]2c2cccc(OCCC(C)C)c2)ccc1OCC(C)C,C40094013_decoy,PA2GA,Decoy,0,-11.3428,-7.83,-3.28,-10.301515858818222
CCCCOc1ccc([C@H]2C(C(=O)c3cc4ccccc4o3)=C([O-])C(=O)N2CCCC)cc1OCC,C40097592_decoy,PA2GA,Decoy,0,-10.8356,-7.52,-3.69,-10.030527683786897
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccc(OCC=C)c(OCC)c2)cc1,C40099669_decoy,PA2GA,Decoy,0,-10.5354,-7.57,-3.85,-10.735227142683213
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccc(OCC=C)c(OC)c2)cc1,C40099719_decoy,PA2GA,Decoy,0,-10.1681,-6.89,-3.47,-9.044971063839874
CCCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(OCCC)c(OCC)c1,C40101077_decoy,PA2GA,Decoy,0,-11.5856,-7.58,-3.41,-14.33860721012744
CCCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1cccc(OCCC(C)C)c1,C40101531_decoy,PA2GA,Decoy,0,-10.5349,-6.52,-3.11,-9.628227082036895
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2ccc(C(C)(C)C)cc2)c1,C40101629_decoy,PA2GA,Decoy,0,-11.3181,-6.53,-3.06,-8.874615557482139
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccc(N(CC)CC)cc2)c1,C40102007_decoy,PA2GA,Decoy,0,-11.1211,-5.49,-3.16,-8.895598025670322
CC(C)(C)c1ccc([C@@H]2C(C(=O)c3cccc(OCc4ccccc4)c3)=C([O-])C(=O)N2CCOCCO)cc1,C40102514_decoy,PA2GA,Decoy,0,-11.0981,-8.54,-1.9,-13.78519407236334
CC(C)c1ccc([C@H]2C(C(=O)c3cccc(OCc4ccccc4)c3)=C([O-])C(=O)N2CCOCCO)cc1,C40102543_decoy,PA2GA,Decoy,0,-11.413,-8.76,-1.63,-10.864675346929346
C=CCOc1ccccc1[C@@H]1C(C(=O)c2cccc(OCc3ccc(C)cc3)c2)=C([O-])C(=O)N1CCCC,C40109286_decoy,PA2GA,Decoy,0,-8.98508,-8.11,-4.01,-7.460849595827747
C=CCOc1ccc([C@H]2C(C(=O)c3cccc(OCc4ccc(F)cc4)c3)=C([O-])C(=O)N2CCCC)cc1,C40109469_decoy,PA2GA,Decoy,0,-12.1964,-7.12,-3.53,-9.616770223106068
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N[C@H]2c2ccc(OCCCC)c(OCC)c2)c1,C40125981_decoy,PA2GA,Decoy,0,-10.957,-6.92,-2.48,-8.64412497005348
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)c1,C40125985_decoy,PA2GA,Decoy,0,-10.6957,-7.22,-2.32,-8.212519937946611
CCCCCCOc1ccc(/C=C2\SC(=S)N([C@@H](C(=O)[O-])c3ccccc3)C2=O)cc1OCC,C40936299_decoy,PA2GA,Decoy,0,-12.3746,-6.51,-4.1,-9.898993848189187
CC(C)(C)OC(=O)CCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C43463361_decoy,PA2GA,Decoy,0,-10.5335,-9.11,-2.32,-12.066969896417367
CCCCN(CCCC)S(=O)(=O)c1cccc(C(=O)Nc2cccc(C(=O)[O-])c2)c1,C03079893_decoy,PA2GA,Decoy,0,-11.6825,-7.63,-2.89,-9.561024581592187
CCCc1c(C(=O)[O-])c(C[C@@H](C)CCCC(C)(C)O)nn1-c1ccc(C(C)(C)C)cc1,C06891230_decoy,PA2GA,Decoy,0,-10.7098,-7.06,-4.15,-8.609203089457697
CCCCn1c(SCC(=O)N[C@H](C)c2ccc(CC(C)C)cc2)nc2cc(C(=O)[O-])ccc2c1=O,C13044401_decoy,PA2GA,Decoy,0,-10.1915,-8.35,-3.58,-9.810813983403984
CCCCn1c(SCC(=O)N[C@H](CC(C)C)c2ccccc2)nc2cc(C(=O)[O-])ccc2c1=O,C13044455_decoy,PA2GA,Decoy,0,-10.5083,-7.35,-1.95,-7.425208208953768
CCN(CC)c1ccc(N(Cc2cccs2)S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1,C13079333_decoy,PA2GA,Decoy,0,-12.0587,-7.37,-2.16,-9.897275226226435
CCCCCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1,C13089554_decoy,PA2GA,Decoy,0,-11.3339,-7.48,-2.52,-12.38337186836032
Cc1ccc(-c2nnc(SCC(=O)c3cc(C)n(CCC(C)C)c3C)n2CCC(=O)[O-])cc1,C13197065_decoy,PA2GA,Decoy,0,-11.8939,-7.25,-2.5,-10.702914622499454
Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(CC(C)C)cc3)n2CCC(=O)[O-])cc1,C13197443_decoy,PA2GA,Decoy,0,-11.1807,-7.27,-4.75,-9.333069169283023
COc1ccc(CN([C@@H](C)Cc2cccs2)S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1,C13246525_decoy,PA2GA,Decoy,0,-12.7982,-7.68,-3.3,-10.820292546833134
COc1ccc(CN([C@H](C)Cc2cccs2)S(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1,C13246527_decoy,PA2GA,Decoy,0,-10.3478,-7.27,-3.21,-11.12888774321093
CN(CCCC(=O)[O-])S(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(SC(F)(F)F)cc2)cc1,C13272900_decoy,PA2GA,Decoy,0,-11.5274,-7.85,-2.19,-8.856799774886728
CCCCc1ccc([C@@H](NS(=O)(=O)c2cc(/C=C/C(=O)[O-])ccc2OC)c2cccs2)cc1,C13311719_decoy,PA2GA,Decoy,0,-11.0593,-6.44,-2.48,-7.74478994330781
CCOc1cc(/C=C(\CC(=O)[O-])c2nc3ccccc3s2)ccc1OCCOc1ccc(F)cc1,C13343983_decoy,PA2GA,Decoy,0,-13.1289,-9.15,-2.91,-10.76840517887876
CC(C)(C)c1ccc(OCc2ccc(C(=O)NC[C@H](CCC(=O)[O-])C(F)(F)F)cc2)cc1,C02649110_decoy,PA2GA,Decoy,0,-10.8181,-8.2,-2.43,-11.744305332528432
CCCCOC(=O)c1cccc(NC(=O)CSc2nc([O-])cc(CCC)n2)c1,C32520998_decoy,PA2GA,Decoy,0,-12.9631,-8.22,-2.01,-10.307524526276469
CCCCCn1c([O-])c(C(=O)Nc2ccc(C(=O)OCCCC)cc2)c(=O)c2ccccc21,C02059148_decoy,PA2GA,Decoy,0,-9.45001,-8.71,-2.53,-7.700280100595846
CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2CCc2ccccc2)cc1OCC,C33497922_decoy,PA2GA,Decoy,0,-12.3859,-8.94,-2.65,-15.332541600792634
CCOc1cc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2Cc2ccco2)ccc1OCCC(C)C,C33509890_decoy,PA2GA,Decoy,0,-11.1863,-7.13,-3.33,-9.458385649758638
COc1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2CCc2ccccc2)ccc1OCCC(C)C,C33533446_decoy,PA2GA,Decoy,0,-10.5617,-7.84,-2.44,-11.25088546631151
CCCCCC1=NO[C@](C(=O)[O-])([C@H](OCc2ccccc2)c2ccc(C(F)(F)F)cc2)C1,C34258593_decoy,PA2GA,Decoy,0,-10.987,-6.3,-4.61,-9.001473941627687
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@H]2c2cccc(OCCC(C)C)c2)cc1,C34919534_decoy,PA2GA,Decoy,0,-10.7466,-9.12,-2.45,-10.291583530536666
C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCc2ccccc2)cc1OCC,C35270094_decoy,PA2GA,Decoy,0,-10.6283,-7.85,-4.24,-9.817669453125191
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCOC)[C@@H]2c2ccc(C(C)(C)C)cc2)c1,C35279533_decoy,PA2GA,Decoy,0,-10.5152,-7.33,-3.23,-9.253361435918258
CCCOc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)cc1OCC,C35444665_decoy,PA2GA,Decoy,0,-10.224,-7.94,-3.89,-9.42379539236666
CCCOc1ccc(/C=C(C#N)/C([O-])=N/c2nnc(SCc3ccc(C)cc3)s2)cc1OCC,C39997596_decoy,PA2GA,Decoy,0,-12.5952,-6.63,-2.35,-7.660941698913259
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCCC(C)C)c(OCC)c1,C40025736_decoy,PA2GA,Decoy,0,-10.8457,-8.04,-2.52,-11.596883471547576
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1,C40026327_decoy,PA2GA,Decoy,0,-10.3919,-8.12,-1.31,-12.37190414290104
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(OCc2ccccc2)cc1,C40026808_decoy,PA2GA,Decoy,0,-8.98159,-8.39,-3.25,-6.886855300227042
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(OCc2ccccc2)cc1,C40026809_decoy,PA2GA,Decoy,0,-11.6322,-6.49,-3.15,-8.71522861630833
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1cccc(OCCC(C)C)c1,C40029269_decoy,PA2GA,Decoy,0,-11.3671,-7.81,-2.49,-9.515373074999312
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(N(CC)CC)cc1,C40029581_decoy,PA2GA,Decoy,0,-10.6225,-5.61,-2.08,-8.058523233248586
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCc3ccccc3)c2)[C@H]1c1ccc(N(CC)CC)cc1,C40030060_decoy,PA2GA,Decoy,0,-10.9986,-8.47,-2.32,-9.940703339136546
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccc(F)cc4)cc3)=C([O-])C(=O)N2CC=C)cc1,C40031028_decoy,PA2GA,Decoy,0,-10.9948,-8.52,-3.42,-8.67045339628382
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@H]2c2cccc(Oc3ccccc3)c2)cc1C,C40051978_decoy,PA2GA,Decoy,0,-11.3472,-8.2,-3.33,-9.645346408289257
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(OCc2ccccc2)c(OCC)c1,C40075836_decoy,PA2GA,Decoy,0,-9.9653,-7.47,-2.9,-9.064378141816054
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OCC)c(OC)c1,C40079398_decoy,PA2GA,Decoy,0,-10.9047,-7.7,-2.24,-13.291150793381236
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2CCCC)c1,C40079447_decoy,PA2GA,Decoy,0,-8.88098,-7.99,-4.19,-8.58200450842126
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1cccc(OCC)c1,C40081095_decoy,PA2GA,Decoy,0,-10.504,-8.02,-1.86,-9.218984661448486
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(OCC)cc2)c(C)c1,C40083361_decoy,PA2GA,Decoy,0,-8.78511,-7.48,-2.98,-6.811311938557292
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2cccc(Oc3ccccc3)c2)c(C)c1,C40083370_decoy,PA2GA,Decoy,0,-10.2078,-8.54,-2.71,-9.965160323785208
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2C)[C@@H]1c1ccc(OCC)c(OC)c1,C40084526_decoy,PA2GA,Decoy,0,-11.7051,-6.11,-3.76,-7.976691692633344
CCCCN1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@@H]1c1ccc(OCCC(C)C)c(OC)c1,C40097512_decoy,PA2GA,Decoy,0,-11.1118,-7.65,-2.67,-11.562071317764335
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N[C@H]2c2ccc(OCc3ccccc3)c(OCC)c2)cc1C,C40123931_decoy,PA2GA,Decoy,0,-10.048,-6.62,-3.26,-7.530836609348134
CCCOc1ccc([C@H]2NC(=O)C([O-])=C2C(=O)c2cccc(OCc3ccccc3)c2)cc1OCC,C40126298_decoy,PA2GA,Decoy,0,-10.2035,-8.54,-2.04,-13.941729949314777
CCCCCN1C(=O)c2n[nH]c(-c3cc(Cl)ccc3[O-])c2[C@H]1c1ccc(OCCCC)c(OC)c1,C39898565_decoy,PA2GA,Decoy,0,-10.3962,-6.66,-3.35,-8.208835749851845
CCCCCCOc1ccc(/C=C(C#N)/C([O-])=N/c2nc(-c3ccc(C)cc3)cs2)cc1OC,C40858407_decoy,PA2GA,Decoy,0,-11.6062,-7.77,-3.36,-8.410015322127844
CCCCCC1=NO[C@](C(=O)[O-])([C@H](OCc2ccccc2C)c2ccc(C(F)(F)F)cc2)C1,C43209162_decoy,PA2GA,Decoy,0,-10.2163,-6.99,-3.92,-9.254510746138742
CCOc1ccc(COC)cc1C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C44325186_decoy,PA2GA,Decoy,0,-12.1872,-7.77,-2.04,-10.053896214410898
CCCCO[C@]1(c2ccc(C)cc2)[N-]C(SCC(=O)NCC(C)C)=NN=C1c1ccc(C)cc1,C13133774_decoy,PA2GA,Decoy,0,-12.1104,-7.91,-4.05,-9.26616022294197
CCOc1ccc(CCN/C(C)=C\N=C2\N=C([N-]c3ccccc3)S2)cc1OCC,C59074127_decoy,PA2GA,Decoy,0,-11.5469,-7.09,-2.56,-10.461082668963986
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C)c(C)c1,C03864155_decoy,PA2GA,Decoy,0,-13.4023,-6.66,-3.1,-9.412023667774944
CSc1cccc(NC(=S)N(Cc2cccc(Br)c2)CC2CCC(C(=O)[O-])CC2)c1,C03036510_decoy,PA2GA,Decoy,0,-13.0287,-8.03,-2.08,-12.36042804963609
O=C(CCN1C(=O)/C(=C\C=C\c2ccccc2)SC1=S)Nc1ccccc1C(=O)[O-],C01150364_decoy,PA2GA,Decoy,0,-14.1761,-8.97,-1.39,-21.27044693141881
CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1NC(=O)[C@@H]1CC=CC[C@H]1C(=O)[O-],C08453956_decoy,PA2GA,Decoy,0,-11.2266,-6.95,-1.31,-8.087675446088689
CCOC(=O)c1c(-c2ccc(Cl)c(Cl)c2)csc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-],C08453957_decoy,PA2GA,Decoy,0,-11.9779,-6.74,-1.97,-8.919073613643198
Cc1nn(-c2ccc(C(C)(C)C)cc2)c(C)c1[C@@H]1C=C[C@@H](NC(=O)CC2(CC(=O)[O-])CCCC2)C1,C08624104_decoy,PA2GA,Decoy,0,-10.5791,-7.85,-1.71,-7.308924502683849
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(C)c(F)c2)nc2cc(C(=O)[O-])ccc2c1=O,C13016390_decoy,PA2GA,Decoy,0,-10.5068,-8.46,-4.08,-8.914394569674705
Cc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H](C(=O)[O-])C(C)C)c(F)c1,C13025082_decoy,PA2GA,Decoy,0,-10.3624,-6.99,-2.45,-9.966127169689283
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccc(C)s2)cs1,C13030388_decoy,PA2GA,Decoy,0,-10.1552,-8.68,-4.81,-8.80389822203377
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(-c2csc(C)n2)cc1,C13032152_decoy,PA2GA,Decoy,0,-10.0925,-7.5,-3.17,-8.077809962038547
COc1ccc(-c2cc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)ccc2OC)cc1,C13195860_decoy,PA2GA,Decoy,0,-10.6774,-6.2,-4.47,-7.812480834210146
C[C@@H](Sc1ncc(C(=O)[O-])n1-c1ccc(F)cc1)C(=O)Nc1cc(C(F)(F)F)ccc1Cl,C13355583_decoy,PA2GA,Decoy,0,-10.9582,-8.11,-2.95,-7.871119200695385
C=CCn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(C(=O)[O-])ccc2c1=O,C13363432_decoy,PA2GA,Decoy,0,-10.0252,-8.09,-2.32,-8.329533594749634
C=CCn1c(SCC(=O)Nc2ccc(F)c(F)c2)nc2cc(C(=O)[O-])ccc2c1=O,C13364189_decoy,PA2GA,Decoy,0,-11.6994,-7.88,-1.64,-7.467798487752637
CCc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N3CCC[C@H](C(=O)[O-])C3)cc2)cc1,C13398326_decoy,PA2GA,Decoy,0,-10.9534,-8.85,-4.28,-7.546225358056107
O=C([O-])c1ccc(CCNC(=O)[C@@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1,C13443748_decoy,PA2GA,Decoy,0,-9.54382,-8.17,-3.87,-8.803627101599192
O=C([O-])c1ccc(CCNC(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(F)cc3)C2)cc1,C13443751_decoy,PA2GA,Decoy,0,-10.9188,-8.12,-0.79,-13.136026307881524
O=C([O-])c1cc(S(=O)(=O)NCc2ccc(OC(F)(F)F)cc2)c(Cl)cc1Cl,C13456289_decoy,PA2GA,Decoy,0,-9.88668,-7.97,-1.72,-7.940219768050574
O=C(N[C@@H](Cc1cc(F)c(F)c(F)c1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C02569520_decoy,PA2GA,Decoy,0,-10.703,-8.62,-3.11,-9.472332841000108
Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)OC(C)C)c1,C19634521_decoy,PA2GA,Decoy,0,-10.4263,-8.8,-3.67,-12.6904049445981
O=C(CCc1ccc(F)cc1)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)nn2)cc1,C20607762_decoy,PA2GA,Decoy,0,-11.588,-8.08,-1.34,-9.378534072136212
O=C(NCCc1cccs1)c1ccc(Cl)c(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1,C21911701_decoy,PA2GA,Decoy,0,-12.1896,-6.99,-3.03,-7.78434767442036
CCOc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Br)cc2)cc1,C06146156_decoy,PA2GA,Decoy,0,-10.4247,-9.82,-2.42,-10.131408264175764
CCOC(=O)c1cc(NC(=O)c2ccc([N-]S(C)(=O)=O)c(Cl)c2)ccc1Cl,C30864659_decoy,PA2GA,Decoy,0,-10.4205,-6.25,-3.65,-8.130633052163573
CN(C)c1ccc([C@H](CC(=O)c2c([O-])n(C)c3ccccc3c2=O)Nc2ccccc2Br)cc1,C03846611_decoy,PA2GA,Decoy,0,-11.1691,-9.05,-2.18,-14.57325781438194
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC(C)C)N2[C@H]1c1ccccc1C,C36052542_decoy,PA2GA,Decoy,0,-11.44,-6.43,-2.67,-7.2179294704769
COC(=O)[C@H]1C([O-])=NC(SCC(=O)Nc2ccccc2)=C(C#N)[C@H]1c1ccc(C)cc1,C12250289_decoy,PA2GA,Decoy,0,-10.6339,-8.35,-2.14,-9.211054079625535
CCC[C@@H](NC(=O)CCc1c(C)c2cc3c4c(oc3c(C)c2oc1=O)CCCC4)C(=O)[O-],C02105376_decoy,PA2GA,Decoy,0,-10.9527,-8.52,-1.24,-10.654370519396709
COc1ccc(/C=C2\SC(=S)N(CCC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cc1,C02451178_decoy,PA2GA,Decoy,0,-11.2966,-8.6,-2.01,-9.311610685922105
CCCc1ccc([C@@H](C[N-]S(=O)(=O)Oc2ccccc2)N2CCN[C@H](Br)C2)cc1,C39533075_decoy,PA2GA,Decoy,0,-11.1856,-7.6,-1.67,-9.860334161758637
CCCCOc1ccc([C@H]2NC(=O)C(C#N)=C([S-])N2c2ccc(C)cc2C)cc1OC,C39887498_decoy,PA2GA,Decoy,0,-9.78354,-6.02,-1.25,-5.549026586033491
Cc1cc(OCC(C)C)ccc1C(=O)C1=C([O-])C(=O)N(CCO)[C@H]1c1ccccc1Br,C40084896_decoy,PA2GA,Decoy,0,-11.4338,-8.07,-1.56,-9.628179649694328
COc1ccc(Br)cc1[C@@H]1NC(=O)C([O-])=C1C(=O)c1ccc(OCC(C)C)cc1,C40123325_decoy,PA2GA,Decoy,0,-10.8368,-7.31,-1.27,-8.150280438116821
COc1ccc(Br)cc1[C@@H]1NC(=O)C([O-])=C1C(=O)c1ccc(OCc2ccc(C)cc2)cc1,C40127526_decoy,PA2GA,Decoy,0,-10.8414,-7.79,-2.96,-7.928725267945108
CC(C)OCCCN1C(=O)c2n[nH]c(-c3cc(Cl)ccc3[O-])c2[C@H]1c1cccc(Br)c1,C39899279_decoy,PA2GA,Decoy,0,-10.6916,-8.18,-2.11,-9.674660826915774
Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/N=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F)CCC3)cc1,C40823189_decoy,PA2GA,Decoy,0,-12.4338,-10.66,-0.75,-10.328478222084753
CC(C)Cc1ccc([C@H](C)NC(=O)c2cnn(-c3ccc([O-])nn3)c2C(F)(F)F)cc1,C28419960_decoy,PA2GA,Decoy,0,-12.7334,-7.63,-4.37,-10.476930845023226
Cc1ccc([C@H]2CC(=O)C(/C=N/CCN3CCN(C(=S)Nc4ccccc4)CC3)=C([O-])C2)cc1,C13543756_decoy,PA2GA,Decoy,0,-12.1785,-7.24,-4.15,-6.965894995701218
CCCCc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCc3ccncc3)c2)cc1,C57379189_decoy,PA2GA,Decoy,0,-9.30551,-9.7,-1.02,-9.982392402400835
CC[NH+](CC)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1C(=O)[O-],C32962203_decoy,PA2GA,Decoy,0,-11.6449,-6.39,-1.55,-7.744676373307971
CCO/C([O-])=C1/C(C)=NC(SCC(=O)Nc2ccc(C)c(C)c2)=N[C@H]1c1ccc(SC)cc1,C58961736_decoy,PA2GA,Decoy,0,-13.1067,-8.77,-1.42,-11.82269700708014
C=CCO/C([O-])=C1\C(C)=Nc2nc(SCC(C)C)[nH]c(=O)c2[C@H]1c1sccc1C,C13117842_decoy,PA2GA,Decoy,0,-10.3974,-7.4,-1.39,-8.807806993692253
CCCS(=O)(=O)[N-]c1cccc(NC(=O)[C@H]2CCN(c3ccc(C)c(C)c3)C2=O)c1C,C60371998_decoy,PA2GA,Decoy,0,-10.9406,-8.0,-4.23,-8.641994967677274
Cc1nn(C)c(C)c1C[N-]/C(=N/C(=O)c1cccc(Br)c1)Nc1ccc(C(C)C)cc1,C32972621_decoy,PA2GA,Decoy,0,-8.81944,-6.06,-2.49,-6.258787927448754
O=C(Cn1c([S-])nnc1-c1cccs1)NCCSCC1=CC[C@H](Br)S1,C64147259_decoy,PA2GA,Decoy,0,-14.2088,-7.29,-1.83,-10.813683085161182
Cc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN(C(=S)Nc4ccc(F)cc4)CC3)=C([O-])C2)cc1,C13572145_decoy,PA2GA,Decoy,0,-11.2186,-8.86,-3.06,-7.449588602086775
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(Cl)cc2)cc1OCC,C64795691_decoy,PA2GA,Decoy,0,-10.7905,-8.3,-2.31,-8.370519146504803
CCCOc1ccc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1OC,C64796039_decoy,PA2GA,Decoy,0,-10.7777,-5.92,-3.99,-6.464193366648907
Cc1cc(C)cc(O[C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1,C64982512_decoy,PA2GA,Decoy,0,-11.642,-7.8,-0.89,-7.26704113518517
O=C(/C=C\Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccccc1,C06101748_decoy,PA2GA,Decoy,0,-12.4684,-8.18,-1.28,-11.41646413325014
CC(C)c1ccc(CNS(=O)(=O)c2ccc(N)cc2)cc1,C08019854_decoy,PA2GA,Decoy,0,-8.39663,-7.86,-1.1,-8.23269458822387
CC(=O)Nc1ccc(-c2csc([C@H](N)c3cccs3)n2)cc1,C19930373_decoy,PA2GA,Decoy,0,-9.84513,-8.09,-1.65,-7.298286785882894
CC1CCC(NS(=O)(=O)c2ccc(C(N)=S)cc2)CC1,C20023281_decoy,PA2GA,Decoy,0,-9.61217,-5.34,-1.99,-4.892719984569186
Cc1ccc(CNS(=O)(=O)c2cc(C)c(C)c(N)c2)cc1,C20545816_decoy,PA2GA,Decoy,0,-8.88186,-6.37,,99.0
C[C@@H](NS(=O)(=O)c1cc(N)c(F)cc1F)c1ccccc1,C20563239_decoy,PA2GA,Decoy,0,-8.44105,-4.42,-3.95,-4.843557345875548
O=C(NNC(=S)NC1CCCC1)[C@@H]1C[C@H]1c1ccc(F)cc1,C27250550_decoy,PA2GA,Decoy,0,-9.78067,-8.07,-0.65,-8.690951326646688
O=C(NNC(=S)Nc1ccccc1)[C@@H]1C[C@H]1c1ccc(F)cc1,C28618459_decoy,PA2GA,Decoy,0,-8.75175,-7.36,-0.08,-6.556945112424256
Cc1ccc(S(=O)(=O)N[C@H](C)c2cccc(N)c2)c(Cl)c1,C36233481_decoy,PA2GA,Decoy,0,-11.1481,-7.97,-1.4,-10.478741664523763
CCC[C@@H](C)N(C)c1ccc(C(F)(F)F)cc1/C(N)=N/O,C36790744_decoy,PA2GA,Decoy,0,-9.23621,-7.33,-0.68,-9.310741596908148
CCC[C@H](C)N(C)c1ccc(C(F)(F)F)cc1/C(N)=N/O,C36790746_decoy,PA2GA,Decoy,0,-10.413,-8.88,-0.24,-9.976657546078313
Nc1cc(Cl)c(F)c(S(=O)(=O)NCCc2cccs2)c1,C37063046_decoy,PA2GA,Decoy,0,-9.15816,-7.03,-1.42,-9.792187493715002
CCCN(c1ccc(/C(N)=N/O)c(C(F)(F)F)c1)C(C)C,C37096256_decoy,PA2GA,Decoy,0,-8.6035,-8.02,-0.63,-11.578969523579968
C[C@H](NS(=O)(=O)c1ccc(F)cc1F)c1ccccc1N,C37178627_decoy,PA2GA,Decoy,0,-8.84592,-5.13,-2.49,-5.567158755134926
Cc1ccc(N[C@H](C)c2cccc(S(N)(=O)=O)c2)cc1F,C37213130_decoy,PA2GA,Decoy,0,-9.35577,-8.32,-1.62,-12.663877760916092
CC(C)[C@H](C)N(C)c1ccc(/C(N)=N/O)c(C(F)(F)F)c1,C36787410_decoy,PA2GA,Decoy,0,-9.44466,-8.8,-0.93,-12.832856556314542
CSc1ccc(NC(=O)c2cc(N)ccc2N(C)C)cc1,C40296857_decoy,PA2GA,Decoy,0,-8.43815,-4.6,-2.38,-5.297232232722321
Cc1ccc(N)cc1S(=O)(=O)N[C@@H](C)c1ccccc1F,C40321124_decoy,PA2GA,Decoy,0,-8.18663,-8.12,-1.8,-8.635400179495129
Cc1cc(N)cc(S(=O)(=O)N[C@H](C)c2ccccc2F)c1,C40321200_decoy,PA2GA,Decoy,0,-9.20442,-7.6,-2.3,-10.397273724204172
Cc1cc(N)ccc1S(=O)(=O)N[C@@H](C)c1ccccc1Cl,C40323673_decoy,PA2GA,Decoy,0,-9.72758,-7.77,-3.94,-9.532539642065093
Nc1cc(Cl)ccc1S(=O)(=O)NC[C@@H]1Cc2ccccc21,C40332540_decoy,PA2GA,Decoy,0,-8.11111,-8.53,-0.69,-8.199619459021346
Cc1ccc([C@H](C)NS(=O)(=O)c2cc(N)ccc2C)cc1,C40349120_decoy,PA2GA,Decoy,0,-8.24908,-8.39,-2.96,-7.779215345686741
Nc1csc(S(=O)(=O)NCc2ccc(Cl)cc2)c1,C41067842_decoy,PA2GA,Decoy,0,-9.10148,-5.98,-1.14,-6.337082172973672
CC(C)N(CC(F)(F)F)c1cc2c(cc1N)NC(=O)CC2,C42741499_decoy,PA2GA,Decoy,0,-7.90758,-7.34,-1.18,-6.238687467420683
C[C@@H]1CCCC[C@@H]1CNS(=O)(=O)c1ccc(F)c(N)c1,C42858408_decoy,PA2GA,Decoy,0,-10.3543,-8.14,-1.86,-9.150148924539463
C[C@@H]1CCCC[C@H]1CNS(=O)(=O)c1ccc(F)c(N)c1,C42858413_decoy,PA2GA,Decoy,0,-9.90236,-7.06,-2.37,-9.09374277330311
C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1c(F)cc(N)cc1F,C42859062_decoy,PA2GA,Decoy,0,-9.56171,-6.61,-1.57,-6.187481714590894
O=C(NCCO)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1,C42875163_decoy,PA2GA,Decoy,0,-8.23402,-6.4,-2.17,-6.21747941019341
Cc1cc(/C(N)=N/O)ccc1N(Cc1cccs1)C1CC1,C49024264_decoy,PA2GA,Decoy,0,-9.34714,-6.46,-0.74,-7.122784313766025
CCC1CCC(NS(=O)(=O)c2ccc(F)c(N)c2)CC1,C49118218_decoy,PA2GA,Decoy,0,-9.70443,-6.93,-2.58,-12.07934680548241
[NH3+]Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2F)s1,C49147521_decoy,PA2GA,Decoy,0,-9.85189,-5.47,-0.97,-5.809079418444473
C[C@H](N[C@@H](C)Cc1ccsc1)c1ccc(S(N)(=O)=O)cc1,C49156348_decoy,PA2GA,Decoy,0,-9.73686,-7.28,-1.97,-8.479965893930446
Nc1cc(S(=O)(=O)NC(C2CC2)C2CC2)ccc1Cl,C49234526_decoy,PA2GA,Decoy,0,-10.1018,-6.48,-1.52,-9.319751232474497
Nc1cc(S(=O)(=O)NC(C2CC2)C2CC2)c(Cl)cc1F,C49234568_decoy,PA2GA,Decoy,0,-9.87254,-7.01,-1.02,-8.741029346840923
Cc1cc([C@H](C)Nc2ccccc2S(N)(=O)=O)c(C)s1,C49509456_decoy,PA2GA,Decoy,0,-9.07219,-8.38,-1.51,-9.074913803853276
Cc1ccc(C(=O)NNC(=S)NCC(F)(F)F)cc1C,C49519336_decoy,PA2GA,Decoy,0,-7.32125,-7.59,-1.65,-11.782472777928907
CCC[C@H](NS(=O)(=O)c1cccc(N)c1)c1cccs1,C49541377_decoy,PA2GA,Decoy,0,-9.90919,-7.23,-1.41,-8.800403287482752
CC(=O)Nc1ccc(NC[C@@H](O)c2ccc(Cl)s2)cc1,C49922683_decoy,PA2GA,Decoy,0,-8.70483,-7.75,-1.0,-10.1950381475812
CSc1ccc(NS(=O)(=O)Cc2ccccc2N)cc1,C50102119_decoy,PA2GA,Decoy,0,-10.2552,-7.83,-1.42,-12.057515503544607
C[C@H](c1cccs1)N(C)[C@@H](C/C(N)=N/O)c1ccccc1,C55021405_decoy,PA2GA,Decoy,0,-9.44302,-7.67,-1.19,-10.229583047724814
CSc1ccc([C@H](C)NC(=O)c2sc(N)nc2C)cc1,C55172332_decoy,PA2GA,Decoy,0,-9.7551,-5.36,-2.97,-5.909019978400642
O=C(NNC(=S)Nc1ccc(F)cc1)[C@@H]1C[C@@H]1c1ccccc1,C16037513_decoy,PA2GA,Decoy,0,-9.80716,-8.19,-0.97,-9.162216431412872
NC(=O)c1ccc(CNC(=O)C2C3CC4CC(C3)CC2C4)cc1,C52837701_decoy,PA2GA,Decoy,0,-8.84616,-7.29,-0.95,-6.738963143344576
CC(C)=C[C@H]1[C@H](C(=O)NCc2ccc(C(N)=O)cc2)C1(C)C,C58403977_decoy,PA2GA,Decoy,0,-8.64672,-8.21,-1.7,-9.51687482183124
CCc1ccc(S(=O)(=O)N[C@H](C)c2ccsc2)cc1N,C61360489_decoy,PA2GA,Decoy,0,-10.2084,-7.13,-2.61,-7.917837812528786
C[C@H](NS(=O)(=O)c1cc(N)c(F)cc1Cl)c1ccsc1,C61360542_decoy,PA2GA,Decoy,0,-11.0415,-7.25,-1.85,-9.93692405551339
Nc1cc(Cl)cc(Cl)c1S(=O)(=O)NCCC(F)(F)F,C63099095_decoy,PA2GA,Decoy,0,-6.63436,-6.78,-0.47,-7.90653503956672
Nc1cc(S(=O)(=O)NCCC(F)(F)F)c(Cl)cc1F,C63099126_decoy,PA2GA,Decoy,0,-8.07676,-7.22,-0.73,-8.062721124987556
CC[C@](C)(O)CNC(=O)Nc1ccc(Br)cc1F,C66157717_decoy,PA2GA,Decoy,0,-9.17587,-6.63,-1.97,-7.931239025306519
Cc1ccc(NC(=O)c2ccc(F)c(C(F)(F)F)c2)cc1C(N)=O,C66441002_decoy,PA2GA,Decoy,0,-8.38681,-9.33,-1.33,-8.638154013549006
O=C(NNC(=S)NC1CCCC1)[C@H]1C[C@H]1c1ccccc1,C67463517_decoy,PA2GA,Decoy,0,-9.4837,-7.27,-0.62,-8.202007538288559
C=CCOc1ccc(/C=C/C(=O)N[C@@H](CC(=O)[O-])c2ccc(Cl)cc2)cc1,C13175264_decoy,PA2GA,Decoy,0,-9.41466,-6.36,-4.33,-6.814997243304392
COc1ccc([C@H](CC(=O)[O-])NC(=O)/C=C/c2cc(Br)ccc2F)cc1OC,C13184410_decoy,PA2GA,Decoy,0,-10.4946,-7.24,-2.8,-9.350129870690862
O=C([O-])C[C@@H](NC(=O)c1ccc(OCc2cscn2)cc1)c1ccc(F)cc1,C13257825_decoy,PA2GA,Decoy,0,-10.8242,-7.21,-3.98,-7.534216150560107
O=C([O-])CCNS(=O)(=O)c1cccc(C(=O)/C=C/c2cccc(Br)c2)c1,C13264610_decoy,PA2GA,Decoy,0,-10.4517,-8.09,-3.58,-11.676994226407984
COc1ccc([C@@H](C)NS(=O)(=O)c2ccc(CCC(=O)[O-])cc2)cc1Br,C13313318_decoy,PA2GA,Decoy,0,-10.9307,-7.54,-1.75,-10.49865455781974
O=C([O-])c1cc(S(=O)(=O)NCCCOCC2CC2)c(Cl)cc1Cl,C13315213_decoy,PA2GA,Decoy,0,-10.3893,-6.3,-2.03,-8.245595178681398
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1,C13366945_decoy,PA2GA,Decoy,0,-9.78142,-6.78,-1.98,-7.99581236436311
COc1ccc(CNC(=O)c2ccc(COC(C)C)cc2)cc1C(=O)[O-],C13393066_decoy,PA2GA,Decoy,0,-8.71927,-7.08,-1.73,-6.738835903257375
CCc1ccc(Cl)c(CC)c1NC(=O)/C=C/c1ccc(CCC(=O)[O-])o1,C13408252_decoy,PA2GA,Decoy,0,-10.9423,-6.45,-2.43,-7.986706378527597
CCN(CC)c1ccc(NC(=O)CSc2nc(CC(=O)[O-])cs2)cc1,C13414503_decoy,PA2GA,Decoy,0,-12.0472,-6.98,-0.52,-15.871419254372965
Cc1ccc(Oc2ccc(NC(=O)CSc3nc(CC(=O)[O-])cs3)cc2)cc1,C13416083_decoy,PA2GA,Decoy,0,-13.602,-7.99,-3.81,-9.85052187862328
Cc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2CCOCCO)cc1,C09360289_decoy,PA2GA,Decoy,0,-10.0345,-7.83,-1.33,-9.83744748384089
O=C(C1=C([O-])C(=O)N(CCOCCO)[C@H]1c1ccccc1)c1ccc(Br)cc1,C34771148_decoy,PA2GA,Decoy,0,-9.50141,-6.31,-1.76,-7.201870885494913
O=C(C1=C([O-])C(=O)N(CCOCCO)[C@@H]1c1ccc(Cl)cc1)c1ccccc1,C06813848_decoy,PA2GA,Decoy,0,-10.006,-7.08,-0.58,-9.712019926380457
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2ccccc2)cc1,C08549860_decoy,PA2GA,Decoy,0,-9.78452,-7.02,-1.55,-8.050870498985772
CCCCN(CCO)S(=O)(=O)c1cc(C(=O)[O-])sc1Br,C37836811_decoy,PA2GA,Decoy,0,-10.4766,-6.69,-1.39,-17.32304736405495
CCOc1ccccc1[C@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1CCCO,C40046382_decoy,PA2GA,Decoy,0,-9.55987,-6.59,-1.39,-8.691685051017554
COc1ccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@H]2c2ccc(C(C)C)cc2)cc1,C40047948_decoy,PA2GA,Decoy,0,-10.9715,-5.59,-1.94,-6.902475595449843
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@H]2c2ccc(C)cc2)c1,C40054013_decoy,PA2GA,Decoy,0,-10.6936,-6.96,-2.08,-8.617779552806313
CC(C)CC[C@@H](C)NC(=O)CSc1nnc(-c2ccc(F)c(F)c2)c([O-])n1,C24747149_decoy,PA2GA,Decoy,0,-12.9889,-7.96,-2.31,-8.932955234983176
Cc1cc(OCC(C)C)ccc1C(=O)C1=C([O-])C(=O)N(CCO)[C@@H]1c1ccc(Cl)cc1,C40084767_decoy,PA2GA,Decoy,0,-10.0942,-7.97,-1.39,-7.904510547421843
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@@H]2c2c(F)cccc2Cl)cc1C,C40092290_decoy,PA2GA,Decoy,0,-7.15562,-8.37,-2.43,-6.412864205034787
O=C(C1=C([O-])C(=O)N(CCOCCO)[C@H]1c1cccc(Cl)c1)c1ccc(F)cc1,C40094386_decoy,PA2GA,Decoy,0,-9.82791,-8.26,-2.73,-8.937299045811296
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@@H]2c2c(F)cccc2Cl)c1,C40101426_decoy,PA2GA,Decoy,0,-10.4697,-8.45,-2.1,-9.391015324835266
C=CCOc1ccc([C@@H]2NC(=O)C([O-])=C2C(=O)c2ccc(OCC)cc2)cc1,C40117855_decoy,PA2GA,Decoy,0,-9.80197,-7.62,-1.48,-10.249363387963951
CC(C)(C)OC(=O)N[C@H](Cc1ccc(C(F)(F)F)cc1C(F)(F)F)C(=O)[O-],C44296075_decoy,PA2GA,Decoy,0,-8.84341,-9.13,-1.3,-15.751072562678845
COCCCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1Br,C44659097_decoy,PA2GA,Decoy,0,-9.59076,-5.55,-1.17,-7.213198221151522
O=C([O-])CCNC(=O)CCCN1C(=O)/C(=C/c2cccc(Cl)c2Cl)SC1=S,C15040345_decoy,PA2GA,Decoy,0,-10.4125,-8.34,-0.94,-11.722469544140557
C=CCNC(=O)/C(C#N)=C(/[O-])c1cc(Br)c(OCCC)c(OC)c1,C50848889_decoy,PA2GA,Decoy,0,-9.46133,-7.15,-3.45,-10.984102584527816
CCCCN/C([O-])=C(\C#N)C(=O)[C@H](C)Oc1ccc(Cl)c(Cl)c1,C51011782_decoy,PA2GA,Decoy,0,-10.1074,-7.2,-2.47,-9.597866042365764
CCOc1cc(/C=C\C([O-])=C(/C#N)C(=O)NC2CCCC2)ccc1OC(F)F,C51651474_decoy,PA2GA,Decoy,0,-10.3483,-8.43,-1.89,-14.557102281620493
COCCCNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1,C15437748_decoy,PA2GA,Decoy,0,-9.70473,-7.06,-1.97,-8.042839912766452
CCCNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(OCC)c(Br)c2)c1,C57390053_decoy,PA2GA,Decoy,0,-9.44611,-8.5,-2.07,-8.355851979635965
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NCCc2ccccc2C)c(C)c1,C57479731_decoy,PA2GA,Decoy,0,-9.8365,-8.18,,99.0
O=C(C1=C([O-])C(=O)N(CCOCCO)[C@H]1c1cccc(Br)c1)c1ccccc1,C15230017_decoy,PA2GA,Decoy,0,-9.13621,-8.21,-1.93,-8.86095133913923
CC(C)c1ccc(S(=O)(=O)NCCS(=O)(=O)[N-]c2ccccc2)cc1,C62066261_decoy,PA2GA,Decoy,0,-10.5529,-7.92,-2.0,-9.722188979325775
O=S(=O)(CCNS(=O)(=O)Cc1ccc(F)cc1)[N-]c1ccccc1,C62163056_decoy,PA2GA,Decoy,0,-9.73249,-6.54,-1.08,-8.080834687758447
CS(=O)(=O)[N-]c1ccc(CCCNC(=O)Cc2ccc(Cl)cc2)cc1,C62184198_decoy,PA2GA,Decoy,0,-10.4275,-7.94,-0.84,-10.111503657730449
CS(=O)(=O)[N-]c1ccc(CCCNC(=O)CCc2cccs2)cc1,C62184271_decoy,PA2GA,Decoy,0,-7.70263,-7.7,-1.22,-8.11971433462906
Cc1ccc(/C(=C/C(=O)NCCS(=O)(=O)[N-]c2ccccc2)C(C)C)cc1,C62216126_decoy,PA2GA,Decoy,0,-9.79651,-8.93,-1.97,-8.687538242421741
Cc1ccc([N-]S(=O)(=O)C[C@@H](C)C(=O)NCCCc2cccnc2)cc1,C62217222_decoy,PA2GA,Decoy,0,-10.4489,-7.85,-1.52,-10.02078480254016
CC/C(=C\c1ccccc1)C(=O)NCCS(=O)(=O)[N-]c1ccccc1,C62313402_decoy,PA2GA,Decoy,0,-9.59865,-8.24,-3.21,-8.606926537139945
Cc1ccc([N-]S(=O)(=O)C[C@H](C)C(=O)NCCc2csc(C)n2)cc1,C62347436_decoy,PA2GA,Decoy,0,-11.5242,-8.31,-1.51,-9.807174883000055
C[S@@+]([O-])CC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C04899536_decoy,PA2GA,Decoy,0,-10.9169,-8.61,-3.23,-15.224138658166192
C[C@@H](COCC(F)(F)F)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O,C64497333_decoy,PA2GA,Decoy,0,-9.7026,-6.88,-2.01,-7.980905261720997
COCCOCC/C([O-])=C(/C#N)C(=O)Nc1ccccc1C(F)(F)F,C64682197_decoy,PA2GA,Decoy,0,-9.60912,-7.12,-1.28,-10.606668440504118
CCOCCOc1ccc(Br)cc1/C=C/C([O-])=C(\C#N)C(=O)NC,C65651596_decoy,PA2GA,Decoy,0,-9.4015,-6.88,-1.77,-9.26045599243852
CCS[C@@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C(C)C,C66267392_decoy,PA2GA,Decoy,0,-11.4634,-6.91,-2.12,-7.676563334857148
CC(C)CCSC/C([O-])=C(\C#N)C(=O)Nc1ccc(C(=O)N(C)C)cc1,C66509961_decoy,PA2GA,Decoy,0,-10.1854,-8.37,-1.99,-8.875511119788454
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H](C)COCC(F)(F)F)c1,C67278555_decoy,PA2GA,Decoy,0,-9.88074,-7.4,-1.1,-8.948343203232431
CC(C)C[C@H](NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)N[C@H](CC(C)C)C(=O)[O-],C05632982_decoy,PA2GA,Decoy,0,-9.31673,-6.84,-2.66,-7.299065487163294
CC(C)C[C@@H](NC(=O)[C@@H](CC(C)C)NC(=O)c1ccc([N+](=O)[O-])cc1)C(=O)[O-],C05633089_decoy,PA2GA,Decoy,0,-10.8197,-7.77,-2.9,-9.774247649341495
C[C@@H](NC(=O)[C@@H]1CSCN1C(=O)OC(C)(C)C)C(=O)NCC1CCC(C(=O)[O-])CC1,C08790031_decoy,PA2GA,Decoy,0,-10.6754,-7.92,-2.25,-10.425178495824836
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-],C08876497_decoy,PA2GA,Decoy,0,-11.7224,-7.88,-0.91,-12.289238058926568
O=C(Cc1ccc(S(=O)(=O)N2CCCCC2)cc1)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-],C09789400_decoy,PA2GA,Decoy,0,-10.8285,-8.62,-2.2,-8.898617969804413
Cc1coc2cc3oc(=O)c(CCC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc12,C02128620_decoy,PA2GA,Decoy,0,-10.065,-9.18,-0.96,-19.816593193294548
COc1cc(/C=C/C(=O)c2ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc2)cc(Br)c1O,C13026224_decoy,PA2GA,Decoy,0,-12.6345,-6.9,-2.98,-9.337403117941168
Cc1ccc(CSCCNc2ccc(C(=O)N[C@@H](C)C(=O)[O-])cc2[N+](=O)[O-])cc1,C13037368_decoy,PA2GA,Decoy,0,-9.95903,-6.79,-1.14,-10.094877918119437
C/C(=N\NC(=O)COc1cccc(C(F)(F)F)c1)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1,C13060938_decoy,PA2GA,Decoy,0,-11.6187,-9.58,-2.96,-12.645611367665545
COc1ccc([C@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1OC,C13195214_decoy,PA2GA,Decoy,0,-9.23384,-7.41,-2.41,-8.451727561533113
CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(/C=C/C(=O)[O-])ccc2OC)ccc1C,C13196406_decoy,PA2GA,Decoy,0,-10.328,-6.99,-2.44,-9.031508722669324
C=CCNc1nnc(SCC(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])s1,C13244294_decoy,PA2GA,Decoy,0,-11.7553,-7.32,-1.33,-10.88155270770235
COc1ccc(-c2nc(CNC(=O)N[C@@H](CC(=O)N3CCCC3)C(=O)[O-])cs2)cc1,C13244976_decoy,PA2GA,Decoy,0,-10.1409,-8.85,-2.22,-14.40370892194196
COc1ccc(C(=O)N[C@@H](CC(=O)[O-])c2ccc(C)cc2)cc1S(=O)(=O)NC(C)C,C13258351_decoy,PA2GA,Decoy,0,-8.79947,-8.54,-3.19,-11.894163972302133
COCCNC(=S)N/N=C(\C)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1,C13264219_decoy,PA2GA,Decoy,0,-10.15,-6.66,-2.74,-7.155781882218029
COc1cc(NC(=O)CSc2nnc(NCC(C)C)s2)c(C(=O)[O-])cc1OC,C13273589_decoy,PA2GA,Decoy,0,-12.0199,-6.06,-3.08,-7.4559106800191985
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(CC(=O)[O-])s1,C13307963_decoy,PA2GA,Decoy,0,-11.1435,-8.59,-2.61,-10.362379375922398
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccc(-n2c(C)ccc2C)cc1,C13367670_decoy,PA2GA,Decoy,0,-10.4153,-8.65,-3.46,-7.304439905572488
COc1ccc(CNC(=O)c2ccc(OC)c(S(=O)(=O)NC(C)C)c2)cc1C(=O)[O-],C13393264_decoy,PA2GA,Decoy,0,-9.95321,-7.54,-2.68,-8.801059043529499
O=C(CCCNS(=O)(=O)c1ccc(C(=O)[O-])cc1)Nc1ccc(N2CCCC2=O)cc1,C13418005_decoy,PA2GA,Decoy,0,-9.78332,-9.14,-1.83,-10.22031938604375
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])c(O)c2)cc1,C13464490_decoy,PA2GA,Decoy,0,-11.0435,-7.38,-2.32,-9.95063488954322
CC(C)[C@H](S)C(=O)NC1(C(=O)N[C@@H](Cc2ccc(-c3ccsc3)nc2)C(=O)[O-])CCCC1,C13859921_decoy,PA2GA,Decoy,0,-14.7728,-7.85,-4.45,-12.280564818148424
COc1ccccc1C(=O)N/C(=C/c1ccc2c(c1)OCO2)C(=O)N[C@@H](CCSC)C(=O)[O-],C02276718_decoy,PA2GA,Decoy,0,-11.5251,-7.91,-2.33,-12.013293551093524
CC(C)C[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-],C16026242_decoy,PA2GA,Decoy,0,-10.9845,-8.91,-2.39,-11.119645985417153
CCOc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2CCOCCO)ccc1O,C19923498_decoy,PA2GA,Decoy,0,-10.3971,-7.6,-2.43,-9.57018506545469
CCCc1nnc([S-])n1CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-],C09891505_decoy,PA2GA,Decoy,0,-10.4938,-7.23,-3.01,-9.050229523527324
CC(=O)Nc1ccc(S(=O)(=O)N2CCC(C(=O)NCCCCCC(=O)[O-])CC2)cc1,C26477727_decoy,PA2GA,Decoy,0,-10.0949,-8.14,-3.09,-10.224814979636692
CCCC1([C@H](O)C/C=C/[C@@H]2[C@H](C/C=C\CCCC(=O)[O-])C(=O)C[C@@H]2O)CCC1,C27639844_decoy,PA2GA,Decoy,0,-11.3903,-7.52,-1.43,-9.470225615525496
CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@H]2C/C=C\CCCC(=O)[O-])CCC1,C27639847_decoy,PA2GA,Decoy,0,-13.7459,-7.17,-0.98,-13.1274698366983
CCOC(=O)c1c[nH]nc1S(=O)(=O)[N-]c1cccc(C(=O)NCC(F)(F)F)c1,C32899945_decoy,PA2GA,Decoy,0,-10.0378,-6.78,-1.44,-7.359179654414181
COc1cc2oc(=O)cc(C)c2cc1CCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],C35686286_decoy,PA2GA,Decoy,0,-9.69243,-8.83,-1.61,-9.069011142430268
COc1ccc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)/C=C/c3ccc(C)cc3)cc2)nn1,C02394421_decoy,PA2GA,Decoy,0,-12.9242,-8.96,-4.23,-9.354502283021684
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@H]3C4)ccc2OC)cc1,C39679357_decoy,PA2GA,Decoy,0,-10.7154,-7.8,-3.08,-7.417473321525671
CN(C1CCCCC1)S(=O)(=O)c1ccc(C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)cc1,C13258458_decoy,PA2GA,Decoy,0,-10.4886,-7.14,-4.05,-7.608297138671198
C[C@H](O)CNc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(CCCCCC(=O)[O-])C1=O,C40007677_decoy,PA2GA,Decoy,0,-10.4006,-6.07,-2.62,-6.759232455628256
CC[C@@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N(CCCC(=O)[O-])C1=O,C40007999_decoy,PA2GA,Decoy,0,-11.68,-8.3,-2.01,-14.437096789392829
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(OCC(N)=O)cc1,C40025336_decoy,PA2GA,Decoy,0,-9.42364,-7.85,-2.93,-8.735297043060978
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2cccc(O)c2)c1,C40100746_decoy,PA2GA,Decoy,0,-10.1393,-8.76,-2.08,-9.767836798126496
CC[C@@H](C)[C@H](NC(=O)[C@H](CC(C)C)NC(=O)[C@@H]1N2C(=O)c3ccccc3[C@@H]2SC1(C)C)C(=O)[O-],C43618892_decoy,PA2GA,Decoy,0,-12.5856,-8.93,-3.63,-13.891158016579851
Cc1ccc(-n2nnnc2SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(C)c1,C13253844_decoy,PA2GA,Decoy,0,-12.8641,-7.51,-2.4,-9.342411748011274
CCn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nc2sc(C)c(C)c2c1=O,C13435055_decoy,PA2GA,Decoy,0,-10.9997,-7.76,-1.34,-7.549494526735757
O=C(CSc1nc2ccccc2c(=O)n1C1CCCC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],C13393859_decoy,PA2GA,Decoy,0,-10.0262,-8.97,-1.5,-9.451984246181622
O=C(CSc1nc2ccccc2c(=O)n1C1CC1)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],C13405157_decoy,PA2GA,Decoy,0,-11.8953,-8.05,-2.76,-10.81373592825708
Cn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nnc1-c1cccs1,C13407558_decoy,PA2GA,Decoy,0,-11.4022,-7.02,-3.18,-8.608204550581792
CNS(=O)(=O)Cc1ccc(CNC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)cc1,C46912873_decoy,PA2GA,Decoy,0,-11.6516,-7.97,-1.94,-8.058849108851923
CCOC(=O)c1c(C)[nH]c(C2=NC(=S)N[C@@H](c3ccc(OC)c(OC)c3)/C2=C(/[O-])OCC)c1C,C03268801_decoy,PA2GA,Decoy,0,-10.6404,-6.98,-1.25,-8.725006199367554
CCOCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3F)cc2c1=O,C09833766_decoy,PA2GA,Decoy,0,-11.5745,-7.17,-2.32,-7.898938037560207
Cc1cccc(S(=O)(=O)Nc2ccc(N3CCN(CC(=O)NC(C)C)CC3)c(C(=O)[O-])c2)c1,C33253157_decoy,PA2GA,Decoy,0,-12.3888,-7.91,-2.73,-8.59028344113489
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=S)NC(=O)CC(C)C)cc1,C66200588_decoy,PA2GA,Decoy,0,-10.8071,-7.74,-1.28,-7.764903853061878
CCCc1nnc([S-])n1CC(=O)N[C@H](C)c1cccc(S(=O)(=O)NC)c1,C67190341_decoy,PA2GA,Decoy,0,-10.9247,-7.1,-1.48,-9.05042826232802
O=C(NC[C@@H]1CCCO1)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1,C04196989_decoy,PA2GA,Decoy,0,-10.5543,-7.57,-2.2,-7.857905576796095
CC(C)[C@@H](NC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-],C05005377_decoy,PA2GA,Decoy,0,-10.3659,-8.95,-1.13,-11.795817822244585
CC(C)[C@@H](NC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1)C(=O)[O-],C02902058_decoy,PA2GA,Decoy,0,-9.68506,-7.09,-2.05,-7.112906048519499
CC(C)C[C@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)C(=O)[O-],C02889408_decoy,PA2GA,Decoy,0,-9.42237,-8.59,-2.19,-8.315768492528953
CC(C)C[C@@H](NS(=O)(=O)c1ccc2c3c(cccc13)C(=O)N2)C(=O)[O-],C02889410_decoy,PA2GA,Decoy,0,-10.8029,-8.34,-2.66,-10.049328028165307
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1,C13253855_decoy,PA2GA,Decoy,0,-11.7295,-7.2,-2.44,-8.010275114888621
CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])cs2)ccc1C,C13301719_decoy,PA2GA,Decoy,0,-11.7134,-7.33,-2.72,-8.838718453309701
O=C([O-])/C=C/c1ccc(S(=O)(=O)NCC(=O)NCc2ccco2)cc1,C13314575_decoy,PA2GA,Decoy,0,-9.85062,-5.89,-1.79,-6.742161629468047
O=C([O-])/C=C/c1ccc(S(=O)(=O)NNC(=O)c2ccc(F)cc2)cc1,C13345361_decoy,PA2GA,Decoy,0,-10.1542,-9.64,-0.69,-9.827168425814955
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1,C13366947_decoy,PA2GA,Decoy,0,-10.3927,-6.74,-3.31,-7.440392507183207
O=C([O-])CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Cl)cc2Cl)cc1,C13393800_decoy,PA2GA,Decoy,0,-12.3854,-8.41,-3.01,-11.876283437472908
O=C(CSc1nc([O-])cc(CC(=O)NC2CC2)n1)NCc1ccco1,C23145246_decoy,PA2GA,Decoy,0,-11.6165,-7.15,-4.66,-9.662310013627664
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NC(C)C)cc1,C32602232_decoy,PA2GA,Decoy,0,-9.15616,-7.52,-1.9,-7.857752812566507
O=C(NCCNS(=O)(=O)c1ccc2nc([O-])oc2c1)c1ccccc1,C36126099_decoy,PA2GA,Decoy,0,-8.9047,-7.51,-3.2,-9.921040106520344
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)cc1,C03886296_decoy,PA2GA,Decoy,0,-9.8504,-6.08,-3.0,-8.181184616502906
C=CCOc1ccc(/C=C2\SC(=S)N([C@@H](CCC(N)=O)C(=O)[O-])C2=O)cc1,C39862207_decoy,PA2GA,Decoy,0,-12.1605,-5.63,-2.9,-7.372840777851035
O=C(C1=C([O-])C(=O)N(CCCO)[C@@H]1c1ccc(O)cc1)c1cccs1,C40046293_decoy,PA2GA,Decoy,0,-10.3786,-7.9,-1.14,-9.717474100971916
O=C(C1=C([O-])C(=O)N(CCCO)[C@@H]1c1cccc(O)c1)c1cccs1,C40046345_decoy,PA2GA,Decoy,0,-11.1185,-6.98,-1.24,-8.772978971092218
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@@H]2c2ccc(O)cc2)c1,C40054504_decoy,PA2GA,Decoy,0,-10.7053,-8.35,-2.77,-13.13618160110688
CNS(=O)(=O)c1ccc(CCC(=O)Nc2n[n-]c(C(F)(F)F)n2)cc1,C45946982_decoy,PA2GA,Decoy,0,-10.8556,-7.47,-0.52,-9.336320073290311
O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc(Cl)s2)cc1,C46870318_decoy,PA2GA,Decoy,0,-9.02857,-6.71,-1.8,-7.043283050967096
C#CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(NC(C)=O)cc1,C47211750_decoy,PA2GA,Decoy,0,-8.23021,-7.81,-3.52,-7.553524339832148
COCCCN/C([O-])=C(\C#N)C(=O)CNC(=O)C12CC3CC(CC(C3)C1)C2,C49102779_decoy,PA2GA,Decoy,0,-10.2443,-7.73,-1.41,-11.185694412563656
CC(=O)N[C@@H](C/C([O-])=N/c1nc(-c2ccc(C)s2)n[nH]1)c1cccs1,C50006740_decoy,PA2GA,Decoy,0,-12.0522,-6.51,-1.26,-8.714054853590126
CC(=O)NCCCCC/C([O-])=C(\C#N)C(=O)Nc1ccc2c(c1)OCCO2,C51070395_decoy,PA2GA,Decoy,0,-9.94262,-5.78,-2.42,-6.4974631504962845
C[C@H](NC(=O)c1ccoc1)C(=O)Nc1ccc([N-]S(C)(=O)=O)c(Cl)c1,C52362476_decoy,PA2GA,Decoy,0,-9.38441,-6.17,-2.94,-7.407087903366611
COC(=O)c1sccc1S(=O)(=O)[N-]c1cc(C(N)=O)ccc1OC,C55611839_decoy,PA2GA,Decoy,0,-10.7592,-6.45,-2.36,-8.292535688002388
O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1,C55622007_decoy,PA2GA,Decoy,0,-9.68992,-7.18,-2.28,-6.840497540014763
COCCCNC(=O)CSc1nc(=O)c2c(C)c(C(=O)[O-])sc2[nH]1,C58160411_decoy,PA2GA,Decoy,0,-10.3402,-6.34,-1.59,-7.785256606348645
CNc1snc(C)c1C(=O)N[C@@H](C)c1cccc([N-]S(C)(=O)=O)c1,C58193559_decoy,PA2GA,Decoy,0,-9.48402,-8.14,-2.12,-8.379070937268315
COc1cc(NC(=O)[C@H](C)NC(=O)C2CCCC2)ccc1[N-]S(C)(=O)=O,C58434526_decoy,PA2GA,Decoy,0,-9.04736,-7.03,-2.28,-8.205470118753938
C=CCn1c([S-])nc2cc(C(=O)NCC(=O)NC(C)C)ccc2c1=O,C17809018_decoy,PA2GA,Decoy,0,-10.7852,-8.03,-3.3,-8.780972939016934
CS(=O)(=O)[N-]c1ccccc1CNC(=O)Nc1nnc(C(F)(F)F)s1,C58534334_decoy,PA2GA,Decoy,0,-10.2729,-6.51,-1.79,-6.681430914179786
CC(C)CNC(=O)c1ccccc1[N-]S(=O)(=O)c1c[nH]c(C(=O)N2CCCC2)c1,C26533757_decoy,PA2GA,Decoy,0,-10.8626,-8.06,-1.5,-10.14477420415446
CC[C@H](Nc1ccc([N-]S(=O)(=O)CC)cc1)C(=O)Nc1cc(C)on1,C56198777_decoy,PA2GA,Decoy,0,-8.33135,-7.16,-2.28,-8.121805399101028
COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1,C60243534_decoy,PA2GA,Decoy,0,-8.97523,-8.74,-2.9,-8.212776121416859
O=C(CSCC/C([O-])=N/c1ncn[nH]1)Nc1ccc(Br)cc1,C60625994_decoy,PA2GA,Decoy,0,-10.7126,-7.71,-1.31,-9.03218088156055
CS(=O)(=O)[N-]c1cc(C(=O)NCCNc2ncccc2C#N)ccc1Cl,C61430406_decoy,PA2GA,Decoy,0,-9.65145,-7.85,-3.32,-8.155453049764716
C[C@H](CS(=O)(=O)[N-]c1cccc(F)c1)C(=O)NCC(=O)Nc1ccccc1,C62371288_decoy,PA2GA,Decoy,0,-8.91764,-9.19,-2.03,-8.834447542052771
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)NC)c(Cl)c2)cc1,C64476790_decoy,PA2GA,Decoy,0,-9.8425,-8.76,-2.6,-8.359837927089897
O=C(C[C@@]1(C(=O)[O-])CCSC1)Nc1ccc(C(=O)NC2CC2)c(Cl)c1,C64611112_decoy,PA2GA,Decoy,0,-11.363,-6.07,-1.01,-7.213164526649988
COc1nc(C)ccc1CNC(=O)N[C@@H](C)c1cccc([N-]S(C)(=O)=O)c1,C66124674_decoy,PA2GA,Decoy,0,-8.83837,-8.02,-1.76,-8.5519239064004
COc1nc(C)ccc1CNC(=O)N[C@H](C)c1cccc([N-]S(C)(=O)=O)c1,C66124675_decoy,PA2GA,Decoy,0,-9.0804,-7.44,-2.21,-10.163484208028184
C[C@@H](NC(=O)C1CCC1)/C([O-])=C(/C#N)C(=O)Nc1ccc(SC(F)F)cc1,C66230713_decoy,PA2GA,Decoy,0,-11.7737,-6.63,-1.05,-9.08651254851626
Cc1ccc(NC(=O)c2cccc([N-]S(C)(=O)=O)c2)cc1C(=O)NC(C)C,C66426670_decoy,PA2GA,Decoy,0,-10.9236,-7.04,-2.52,-6.94088352368804
C[C@H](NC(=O)Nc1ccccc1)C(=O)Oc1ccc([N-]S(C)(=O)=O)cc1,C66517263_decoy,PA2GA,Decoy,0,-10.5281,-8.63,-2.62,-9.239991420295151
C[C@@H](NC(=O)Nc1ccccc1)C(=O)Oc1ccc([N-]S(C)(=O)=O)cc1,C66517264_decoy,PA2GA,Decoy,0,-10.4291,-8.25,-2.13,-8.83123944242878
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)N[C@@H](C)CCCC(C)C)c1,C67043335_decoy,PA2GA,Decoy,0,-9.94768,-7.5,-4.1,-10.18706739927985
CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(S(C)(=O)=O)cc2)c1,C67124445_decoy,PA2GA,Decoy,0,-9.65726,-8.12,-1.73,-8.446007964773017
CC(=O)NCc1ccc(C(=O)N[C@@H](C)c2ccccc2[N-]S(C)(=O)=O)s1,C67164031_decoy,PA2GA,Decoy,0,-10.9378,-7.27,-3.28,-8.582988855972484
CCCCN1C(=O)/C(=C/c2c(NCCO)nc3c(C)cccn3c2=O)SC1=S,C02992050_decoy,PA2GA,Decoy,0,-12.2216,-6.86,-2.03,-9.37217192415283
CC(=O)Nc1ccc(C(=O)OCC(=O)Nc2ncc(C(F)(F)F)cc2Cl)cc1,C03263115_decoy,PA2GA,Decoy,0,-10.6984,-8.78,-2.41,-10.068520652225564
COc1ccc(/C(C)=N/NC(=S)Nc2ccc(S(=O)(=O)N(C)C)cc2)cc1,C04868065_decoy,PA2GA,Decoy,0,-9.73336,-7.25,-1.4,-7.109698542988883
O=C(C[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccco1)NC[C@@H]1CCCO1,C02938586_decoy,PA2GA,Decoy,0,-10.3968,-7.96,-2.65,-10.370897455586244
Cc1ccc(S(=O)(=O)NCCO)c(C)c1N(C)S(=O)(=O)c1ccc(F)cc1,C04291784_decoy,PA2GA,Decoy,0,-8.72378,-8.41,-2.13,-8.799992457998282
Cc1ccc(C(=O)Nc2nnc(SCC(=O)NC[C@@H]3CCCO3)s2)cc1C,C07389003_decoy,PA2GA,Decoy,0,-12.574,-9.27,-0.33,-10.379716794951973
O=C(CCCNC(=O)c1ccc(Cl)cc1)OCc1nc2ccsc2c(=O)[nH]1,C07990729_decoy,PA2GA,Decoy,0,-10.6124,-7.08,-2.16,-10.351766498331337
CC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC(=O)N(C3CCCC3)C2)cc1,C08234670_decoy,PA2GA,Decoy,0,-8.96192,-7.47,-2.09,-6.871925972675458
O=C(NC[C@H](c1ccco1)S(=O)(=O)c1cccs1)C(=O)NC1CCCCC1,C04519282_decoy,PA2GA,Decoy,0,-10.1096,-8.41,-1.21,-9.19938579486974
CCCCN1C(=O)CCc2cc(NS(=O)(=O)c3ccc(NC(C)=O)cc3)ccc21,C08840713_decoy,PA2GA,Decoy,0,-9.19303,-7.98,-3.45,-8.122306981083018
COc1ccc(C)cc1[C@@H](C)NC(=O)CNC(=O)c1ccc(N2CCCC2=O)cc1,C09919253_decoy,PA2GA,Decoy,0,-8.76877,-8.9,-2.12,-7.5518537390172575
Cc1ccn2cc(C(=O)NCc3ccc(CS(=O)(=O)NC(C)C)cc3)nc2c1,C10748836_decoy,PA2GA,Decoy,0,-10.8377,-7.72,-2.29,-7.534070959005278
COC(=O)c1ccc2c(=O)n(CC(=O)NCCC3=CCCCC3)c(=S)[nH]c2c1,C12415780_decoy,PA2GA,Decoy,0,-9.6449,-8.84,-1.57,-14.707177142738212
CC(C)CNC(=O)c1cn(C(C)C)cc(C(=O)NC[C@@H]2OCCc3ccccc32)c1=O,C12470762_decoy,PA2GA,Decoy,0,-9.31724,-9.19,-2.85,-9.695608927821612
Cc1cc(C)cc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCO3)c1,C12729593_decoy,PA2GA,Decoy,0,-9.1894,-8.13,-2.05,-7.537573557661035
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)C[C@@H](NC(C)=O)c1cccs1,C12782590_decoy,PA2GA,Decoy,0,-10.1903,-7.77,-2.38,-8.07001500769654
CC(=O)Nc1ccc(C(=O)[C@H](C)Sc2nnc(NC[C@H]3CCCO3)s2)cc1,C12811706_decoy,PA2GA,Decoy,0,-12.3275,-8.02,,99.0
COc1ccc(COC[C@@H](O)CN2C(=O)N[C@]3(CCCc4sccc43)C2=O)cc1,C12917058_decoy,PA2GA,Decoy,0,-9.01388,-8.53,-2.22,-7.801978916646343
C=CCNC(=O)C1CCN(C(=O)c2cccc(NS(=O)(=O)c3ccccc3)c2)CC1,C13357121_decoy,PA2GA,Decoy,0,-9.19258,-7.29,-4.37,-7.7287203996176945
C[C@@H](NC(=O)c1cccc(S(=O)(=O)NCc2ccc3c(c2)OCO3)c1)C1CC1,C14200296_decoy,PA2GA,Decoy,0,-9.68364,-7.87,-1.99,-9.421386769955417
COc1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1,C15506179_decoy,PA2GA,Decoy,0,-9.86383,-9.17,-2.33,-9.162057925660916
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2ccc(NC(C)=O)cc2)ccc1C,C16019443_decoy,PA2GA,Decoy,0,-8.91446,-6.84,-1.75,-7.049000093179346
Cc1ccc([C@@H](CNC(=O)C(=O)Nc2ccc(N(C)C)cc2)N2CCOCC2)cc1,C23974942_decoy,PA2GA,Decoy,0,-9.27289,-7.41,-2.0,-7.539926283439678
CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)c1,C24653204_decoy,PA2GA,Decoy,0,-9.27534,-7.43,-3.08,-9.14518501864332
CC(=O)Nc1nc(COC(=O)CNC(=O)c2ccc(Cl)c(Cl)c2)cs1,C24910110_decoy,PA2GA,Decoy,0,-11.4724,-7.01,-3.25,-9.72584376981819
CCN(CC(=O)NC(C)(C)C)C(=O)CCc1nc2sc3c(c2c(=O)[nH]1)CCC3,C24955242_decoy,PA2GA,Decoy,0,-11.2756,-8.2,-4.02,-9.210447599509257
CSCC[C@H](C(=O)Nc1cccc(NC(C)=O)c1C)N1C(=O)[C@H]2CCCC[C@@H]2C1=O,C25601325_decoy,PA2GA,Decoy,0,-9.98196,-5.47,-1.83,-6.042912616768661
CN(C)[C@@H](CNC(=O)Cc1csc(NC(=O)c2ccco2)n1)c1cccs1,C27676909_decoy,PA2GA,Decoy,0,-11.1719,-6.92,-2.49,-8.555209082745776
CC(C)CNS(=O)(=O)c1ccc(C(=O)NCc2ccc3c(c2)OCCO3)cc1,C28430316_decoy,PA2GA,Decoy,0,-9.45394,-7.91,-3.6,-7.4290292714138415
CN(CC(=O)Nc1ccc(C(=O)NC(C)(C)C)cc1)S(=O)(=O)c1cccs1,C31072403_decoy,PA2GA,Decoy,0,-9.62965,-5.94,-1.2,-6.355588725087313
CCN(CCC(=O)Nc1sccc1C#N)Cc1nc2cc(Cl)ccc2c(=O)[nH]1,C31465708_decoy,PA2GA,Decoy,0,-11.0204,-8.33,-2.32,-8.998506938249346
Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)N[C@H](C)c1cccc(C(F)(F)F)c1,C30020257_decoy,PA2GA,Decoy,0,-9.25805,-7.54,-2.14,-9.251788263776314
CCCNC(=O)[C@@H]1[C@@H](c2cccc(NC(C)=O)c2)OC(=O)N1Cc1ccc(C)cc1,C35755289_decoy,PA2GA,Decoy,0,-9.47377,-8.55,-4.33,-11.292424251229122
Cc1cccc(C(=O)N[C@@H](C(=O)NCC(C)C)C2CCN(C(=O)c3ccco3)CC2)c1,C36211822_decoy,PA2GA,Decoy,0,-8.91062,-7.89,-3.56,-9.214968410396052
Cc1ccc(CN(C(=O)[C@@H]2CCC(=O)N2)[C@H](C(=O)NC(C)(C)C)C2CCCCC2)o1,C36601034_decoy,PA2GA,Decoy,0,-8.86681,-8.12,-2.3,-10.684342231652469
O=C(NC[C@H]1CCCO1)C1CCC(CNS(=O)(=O)c2cccc3cccnc23)CC1,C13831135_decoy,PA2GA,Decoy,0,-10.0379,-9.35,-2.3,-8.57411274351393
CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)cc1,C38629580_decoy,PA2GA,Decoy,0,-9.66596,-6.74,-1.8,-7.028255230862192
O=C(NCCc1csc2nc(-c3cccs3)nn12)C(=O)NCc1cccs1,C38669850_decoy,PA2GA,Decoy,0,-11.5515,-8.03,-2.85,-8.183604940177142
CCOC(=O)C1=C(C)NC(SC[C@H]2C=C(O)N=N2)=C(C#N)[C@H]1c1cccs1,C39324762_decoy,PA2GA,Decoy,0,-11.829,-7.6,-2.04,-9.53185381962018
CCCN[C@@H]1NN=C(SCC2=NC(=O)C3=C(c4ccco4)CSC3=N2)S1,C39729825_decoy,PA2GA,Decoy,0,-14.1839,-8.48,-2.7,-9.603580097497671
CCCCN1C(=O)/C(=C/c2c(NC[C@H](C)O)nc3ccccn3c2=O)SC1=S,C40007620_decoy,PA2GA,Decoy,0,-12.3863,-6.91,-1.74,-8.844628159852327
CC(=O)Nc1sc2c(c1C(=O)O[C@H](C)C(=O)N[C@@](C)(C#N)C(C)C)CCCC2,C06325502_decoy,PA2GA,Decoy,0,-11.7537,-8.46,-0.92,-10.880499797776638
C=CCn1c(SCC(=O)Nc2ccc(C(=O)NC)cc2)nc2ccccc2c1=O,C08511838_decoy,PA2GA,Decoy,0,-10.0185,-8.39,-2.75,-9.142447463470912
COc1ccc(C(=O)N[C@H](C(=O)Nc2ccc(F)c(N3CCCC3=O)c2)C(C)C)cc1,C46775683_decoy,PA2GA,Decoy,0,-11.2674,-9.08,-4.62,-8.844349156549388
Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(-n3nc(C)cc3C)nc2)cc1,C46793480_decoy,PA2GA,Decoy,0,-10.1178,-7.63,-2.6,-7.657546928760581
O=C(C[C@H]1C(=O)NCCN1Cc1cccc(F)c1F)NCc1cccc(-n2cccn2)c1,C55342116_decoy,PA2GA,Decoy,0,-11.961,-8.77,-2.52,-10.31705126178407
C=CCc1ccccc1OC[C@H](O)CN1C(=O)N[C@]2(CCOc3ccccc32)C1=O,C24095424_decoy,PA2GA,Decoy,0,-9.86059,-9.48,-2.35,-9.382355126542736
C#CCNS(=O)(=O)c1ccc(C(=O)Nc2cc3c(cc2OCC)C[C@H](C)O3)cc1,C26079647_decoy,PA2GA,Decoy,0,-10.9808,-7.33,-2.15,-9.406705735018964
CCC(C)(C)NC(=O)Cn1c(C)ccc(NS(=O)(=O)c2ccc(C)cc2)c1=O,C65212514_decoy,PA2GA,Decoy,0,-9.7614,-8.53,-1.96,-9.052783209541492
CC(C)COC(=O)C[C@H]1C(=O)NCCN1C(=O)CNc1ccc(Cl)cc1Cl,C66192226_decoy,PA2GA,Decoy,0,-9.77478,-5.33,-2.05,-6.830416261197283
O=C(Nc1nccs1)c1cccc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c1,C04978113_decoy,PA2GA,Decoy,0,-11.2551,-7.75,-0.88,-7.546245509546931
COc1cc(Br)cc(/C=N/N=C2\N=C(O)[C@@H](CC(=O)[O-])S2)c1O,C09012952_decoy,PA2GA,Decoy,0,-11.3179,-7.03,-1.6,-7.264814629899779
C[C@H]1CCc2sc(C(=O)Nc3ccc(C(=O)NCC(=O)[O-])cc3)cc2C1,C13180958_decoy,PA2GA,Decoy,0,-10.5715,-6.19,-1.22,-6.292040012380527
CNS(=O)(=O)c1ccc(CNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)s1,C13251755_decoy,PA2GA,Decoy,0,-11.0551,-8.09,-0.59,-19.052259071430505
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC(C)C)cc2)cc1C(=O)[O-],C13262345_decoy,PA2GA,Decoy,0,-12.1048,-7.98,-2.99,-10.094272877117447
O=C1Cc2cc(-c3csc(NS(=O)(=O)c4cc(C(=O)[O-])cs4)n3)ccc2N1,C13301633_decoy,PA2GA,Decoy,0,-11.0404,-9.0,-2.02,-10.089183599031552
O=C([O-])CNS(=O)(=O)c1ccc(NC(=O)c2ccc(Br)cc2F)cc1,C13394422_decoy,PA2GA,Decoy,0,-12.081,-7.51,-1.7,-9.347914790091366
Cc1ccc(C(=O)N/C(=C\c2ccc3c(c2)OCO3)C(=O)N[C@H](C)C(=O)[O-])cc1,C20035283_decoy,PA2GA,Decoy,0,-10.1344,-7.79,-2.15,-8.832018422977486
CSc1nc2ccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)cc2s1,C22410166_decoy,PA2GA,Decoy,0,-11.2367,-8.11,-1.71,-10.7204299210888
N#Cc1nc(NC(=O)CCNC(=O)c2ccc(Br)cc2)[n-]c1C#N,C26275293_decoy,PA2GA,Decoy,0,-10.548,-6.04,-1.39,-6.041039593246777
C=CCn1c([S-])nc2cc(C(=O)NNC(=O)c3cccnc3)ccc2c1=O,C27634591_decoy,PA2GA,Decoy,0,-11.2748,-7.47,-2.64,-8.179864629725166
COc1cc(/C=C2/SC(=S)N(c3ccc(C(=O)[O-])c(O)c3)C2=O)cc(OC)c1O,C28296858_decoy,PA2GA,Decoy,0,-12.4444,-8.12,-1.6,-13.998385771012478
O=C(NC1CCCC1)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@@H]2CC[C@H]1O2,C35897889_decoy,PA2GA,Decoy,0,-10.9842,-7.82,-3.04,-10.487996874397387
O=C(NCc1ccco1)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C35897914_decoy,PA2GA,Decoy,0,-9.81369,-7.32,-1.12,-7.791865369955523
CC(=O)Nc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C([O-])=NC(C)=C2C#N)cc1,C05047808_decoy,PA2GA,Decoy,0,-8.75716,-6.78,-1.82,-7.014222678863083
O=C(CSC1=NN[C@H](c2ccc(Br)cc2)O1)Nc1ncn[n-]1,C38577067_decoy,PA2GA,Decoy,0,-9.93714,-6.2,-0.07,-9.517127567205774
COc1ccc(C2=NO[C@@H](CSc3nc(C)c(CCO)c([O-])n3)N2)cc1,C39588068_decoy,PA2GA,Decoy,0,-12.1904,-7.68,-1.51,-8.339777933933167
CCOc1cccc(/C=N/N2C(S)=NN[C@H]2[C@H]2N=NC3=C2CCC3)c1[O-],C39593114_decoy,PA2GA,Decoy,0,-11.6347,-7.9,-0.77,-11.507183679965433
CCOc1cc(/C=N/N2C(S)=NN[C@@H]2[C@H]2N=NC3=C2CCC3)ccc1[O-],C39593325_decoy,PA2GA,Decoy,0,-12.5572,-8.12,-1.77,-8.85517505601142
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)cc1,C39679277_decoy,PA2GA,Decoy,0,-9.83479,-6.94,-2.95,-6.69239351164774
COC(=O)c1c(C)cc(O)c(C)c1O[C@H]1C(=O)C(C)=C([O-])[C@H](O)[C@@]1(C)OC,C31160753_decoy,PA2GA,Decoy,0,-10.6412,-7.13,-1.97,-10.249747892063844
CNS(=O)(=O)c1ccc(/C([O-])=N/c2nc(-c3ccc(C)s3)n[nH]2)cc1,C50006772_decoy,PA2GA,Decoy,0,-11.7974,-7.56,-1.35,-7.17822454303514
Cc1n[nH]c(-c2ccc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)n1,C50535225_decoy,PA2GA,Decoy,0,-10.5342,-9.02,-2.99,-9.065804539425535
CCOc1cccc([N-]S(=O)(=O)c2cc(Br)cnc2N)c1,C50673672_decoy,PA2GA,Decoy,0,-9.98509,-7.01,-1.73,-9.423385297858516
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(NC(=O)NC(C)C)cc1,C55581449_decoy,PA2GA,Decoy,0,-6.95121,-7.87,-2.43,-6.150784935368809
Cc1cc(C)n(-c2ccc([N-]S(=O)(=O)c3cc(C(N)=O)n(C)c3)cc2F)n1,C55649447_decoy,PA2GA,Decoy,0,-10.9656,-8.26,-3.48,-8.74047975931703
O=C(CSc1nnc([O-])[nH]c1=O)N/N=C/c1ccc(Br)cc1,C00942823_decoy,PA2GA,Decoy,0,-11.5889,-7.57,-1.99,-12.652090351031749
COc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2F)cc1[C@]1(C)NC(=O)NC1=O,C58912116_decoy,PA2GA,Decoy,0,-9.54214,-6.6,-1.76,-6.105340589723565
CCOC(=O)C1=C(N)N2C(=O)[C@H](CC(=O)[O-])SC2=C(C#N)[C@H]1c1ccc(C)cc1,C59293952_decoy,PA2GA,Decoy,0,-10.8817,-8.3,-0.79,-21.782582761922946
O=S(=O)([O-])c1ccc(N/N=C(/c2ccccc2)[C@@H](O)c2ccccc2)cc1,C59382622_decoy,PA2GA,Decoy,0,-10.1478,-7.77,-1.35,-8.582705498392198
Cc1ccc(C(=O)Nc2cccc(N3CCNC3=O)c2)cc1[N-]S(C)(=O)=O,C47039800_decoy,PA2GA,Decoy,0,-10.8904,-6.56,-1.81,-7.04728957564275
O=C(NCc1ccccc1Cn1cncn1)c1ccc2c([O-])[nH]c(=S)nc2c1,C60626845_decoy,PA2GA,Decoy,0,-11.2693,-7.84,-2.6,-8.101276960937904
CC(=O)Nc1cccc([N-]S(=O)(=O)CCC(=O)Nc2ccc(C#N)cc2)c1,C62160041_decoy,PA2GA,Decoy,0,-8.09575,-9.48,-2.2,-8.451898377532004
N#Cc1cc(S(=O)(=O)[N-]c2cccc(CS(N)(=O)=O)c2)ccc1Cl,C62930964_decoy,PA2GA,Decoy,0,-12.0946,-7.24,-1.55,-8.596151252931275
CS(=O)(=O)CCS(=O)(=O)[N-]c1c(Br)cc(N)cc1Br,C63142053_decoy,PA2GA,Decoy,0,-10.8382,-6.62,-2.27,-8.950989035731581
[H]/N=C(\N=C(/[O-])CN1C(=O)[C@H]2CCCC[C@H]2C1=O)Nc1nc2ccccc2s1,C18136703_decoy1,PA2GA,Decoy,0,-10.0269,-7.98,,-7.949261726820281
CCNC(=O)c1cccc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)c1,C63678388_decoy,PA2GA,Decoy,0,-9.12855,-8.02,-1.62,-8.407094456999248
CC(C)CCNC(=O)c1c[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2c1=O,C20726902_decoy,PA2GA,Decoy,0,-11.1623,-8.12,-2.36,-8.495154335451188
O=C1c2ccccc2N[C@H](SC/C([O-])=N/c2ncn[nH]2)N1C1CCCC1,C63763415_decoy,PA2GA,Decoy,0,-11.085,-6.82,-2.84,-8.771360534979513
O=C(NCCc1ccccn1)C1=CNN(c2ccc([O-])nn2)[C@H]1C(F)(F)F,C64064608_decoy,PA2GA,Decoy,0,-11.9205,-8.05,-1.86,-10.69504214050962
CC1=C(C(=O)/C([O-])=N/c2ncn[nH]2)[C@@H](C)N(c2cccc(C(F)(F)F)c2)N1,C64070047_decoy,PA2GA,Decoy,0,-10.9943,-7.54,,99.0
COC(=O)[C@H](CC1=c2ccccc2=[NH+]C1)/N=C/c1c([O-])nc(=S)[nH]c1[O-],C63425406_decoy,PA2GA,Decoy,0,-10.6893,-7.91,-1.75,-7.841466832973459
[O-]/C(CSC1=NC=CN2NC(c3ccc(Cl)cc3)=C[C@@H]12)=N\c1ncn[nH]1,C64395943_decoy,PA2GA,Decoy,0,-11.8261,-8.0,-1.55,-11.39529296737888
CNC(=O)c1cc(NC(=O)c2ccc(C)c([N-]S(C)(=O)=O)c2)ccc1F,C64525216_decoy,PA2GA,Decoy,0,-9.77751,-7.98,-1.77,-8.948442449488008
COc1ccc(NC(=O)/C(C#N)=C(/[O-])[C@@H](C)NC(=O)C2CCC2)cc1OC,C66230817_decoy,PA2GA,Decoy,0,-9.36861,-6.45,-2.28,-7.304181910082524
CS(=O)(=O)[N-]c1cccc(C(=O)NCc2nc(-c3cccs3)n[nH]2)c1,C66428926_decoy,PA2GA,Decoy,0,-10.2045,-6.85,-1.32,-7.789525491722959
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)NCc3ncn[nH]3)c2)cc1F,C66456879_decoy,PA2GA,Decoy,0,-10.6544,-8.24,-2.36,-8.475408693587365
C=CCn1c([S-])nnc1-c1sc(NC(=O)[C@@H](NC(C)=O)C(C)C)nc1C,C66621224_decoy,PA2GA,Decoy,0,-12.2007,-6.39,-1.33,-7.965972375005905
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(NC(=O)C2CC2)nc1,C66842183_decoy,PA2GA,Decoy,0,-11.3781,-7.1,-3.3,-8.927687455258864
CNS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)cc1OC,C66965896_decoy,PA2GA,Decoy,0,-11.6826,-7.68,-1.52,-9.264358959383314
C[C@@H](Oc1cc2oc(=O)c3c(c2cc1Cl)CCCC3)C(=O)N[C@H](Cc1c[nH]c2ccc(O)cc12)C(=O)[O-],C02136492_decoy,PA2GA,Decoy,0,-11.516,-9.81,-2.4,-8.29464877131532
Cc1c(CC(=O)N[C@@H](Cc2ccc(O)cc2)C(=O)[O-])c(=O)oc2cc3occ(-c4ccc(F)cc4)c3cc12,C02125042_decoy,PA2GA,Decoy,0,-11.7531,-9.77,-1.75,-10.752430879069586
CCn1cc(C(=O)[O-])c(=O)c2cnc(N3CCN(C(=S)N[C@@H](C)C45CC6CC(CC(C6)C4)C5)CC3)nc21,C12413826_decoy,PA2GA,Decoy,0,-12.8982,-8.49,-3.06,-9.93669733082521
CSCC[C@H](NC(=O)Cc1c(C)c2cc3c(-c4ccc(Cl)cc4)coc3c(C)c2oc1=O)C(=O)[O-],C02117054_decoy,PA2GA,Decoy,0,-12.3644,-9.81,-4.21,-12.468589237568434
O=C([O-])CCCCCN1C(=O)C(=O)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[C@@H]1c1ccc(Br)cc1,C09333891_decoy,PA2GA,Decoy,0,-10.5645,-7.43,-2.99,-8.19107645202158
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccc(C(=O)[O-])cc4)nn32)cc1OC,C20135296_decoy,PA2GA,Decoy,0,-10.3663,-9.8,-3.53,-9.456010273175362
COC(=O)c1[nH]c(C)c(C(=O)C2=C([O-])C(=O)N(CCCN3CCOCC3)[C@H]2c2ccc(C(C)C)cc2)c1C,C09270385_decoy,PA2GA,Decoy,0,-10.9054,-7.53,-3.11,-8.582459604662006
O=C(C1=C([O-])C(=O)N(CCCN2CCOCC2)[C@@H]1c1ccc(F)cc1)c1cc(Br)ccc1O,C20308933_decoy,PA2GA,Decoy,0,-12.476,-7.61,-2.38,-10.810940797290195
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)C1CCN(c2ccc(-c3ccccc3)nn2)CC1,C22490475_decoy,PA2GA,Decoy,0,-10.754,-10.14,-2.04,-7.598419095959259
O=C(Nc1ccc(S(=O)(=O)[N-]c2cccc(Cl)c2Cl)cc1)c1ccc(CN2CCOCC2)cc1,C28617766_decoy,PA2GA,Decoy,0,-10.8408,-9.96,-1.49,-12.478306644617955
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)n1,C30828752_decoy,PA2GA,Decoy,0,-9.81745,-8.01,-2.22,-6.660122407826036
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2ccc(O)cc2)nc1C,C33385766_decoy,PA2GA,Decoy,0,-11.936,-6.32,,99.0
CC1CCN(c2ccc([N-]S(=O)(=O)c3ccc([N+](=O)[O-])cc3)cc2C(=O)NCCN2CCOCC2)CC1,C35228170_decoy,PA2GA,Decoy,0,-11.2285,-8.94,-2.59,-10.58412117033444
CCCNC(=O)CN1CCN(c2cc(C(=O)[O-])c3cc(NS(=O)(=O)c4cccs4)ccc3n2)CC1,C32985214_decoy,PA2GA,Decoy,0,-13.3992,-7.81,-2.5,-8.718646942792782
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@@H]3CCCO3)N2[C@H]1c1ccc([N+](=O)[O-])cc1,C35701091_decoy,PA2GA,Decoy,0,-9.58561,-7.48,-2.55,-8.552454549869823
CC1=C(C(=O)N(C)C)[C@@H](c2ccc(C(F)(F)F)cc2)N2C(/C=C(\[O-])NCc3cccnc3)=CSC2=N1,C35702100_decoy,PA2GA,Decoy,0,-11.8441,-7.19,-3.06,-9.417378770989092
CCC1=C(C(=O)OC)[C@@H](c2cccc([N+](=O)[O-])c2)N2C(/C=C(\[O-])NCCN3CCOCC3)=CSC2=N1,C35704452_decoy,PA2GA,Decoy,0,-11.9869,-5.3,-2.61,-7.722126166848112
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@@H]1c1ccc(OC)c(OC)c1,C36058630_decoy,PA2GA,Decoy,0,-11.7586,-7.43,-1.92,-10.669325421012402
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@@H]3CCCO3)N2[C@H]1c1cccc(OC)c1OC,C36058733_decoy,PA2GA,Decoy,0,-11.488,-6.58,-1.45,-10.116025148872296
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCCN3CCOCC3)N2[C@@H]1c1cc(C)ccc1C,C36061152_decoy,PA2GA,Decoy,0,-11.2639,-6.83,-2.65,-8.929151035365333
COc1cccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=C3SC=C(/C=C(\[O-])NC[C@@H]4CCCO4)N32)c1OC,C36071717_decoy,PA2GA,Decoy,0,-11.7854,-6.62,-1.39,-11.490721595190074
O=C(NC1CCCCC1)[C@H](c1ccc2c(c1)OCO2)N(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36499865_decoy,PA2GA,Decoy,0,-9.9246,-7.03,-2.6,-7.600477156467395
COc1cc([C@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)c2cc([N+](=O)[O-])ccc2[O-])ccc1O,C36499878_decoy,PA2GA,Decoy,0,-9.3728,-8.6,-2.05,-9.39967533454353
C[C@H]1c2cc3c4c(oc3cc2OC(=O)[C@@H]1CCC(=O)N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])CCCC4,C38773982_decoy,PA2GA,Decoy,0,-10.3327,-10.08,-3.0,-14.173296663636552
COc1cc([C@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OC(=O)c1cccc(Br)c1,C39011832_decoy,PA2GA,Decoy,0,-11.3829,-8.35,-1.89,-10.755317861084295
CC(C)Cc1ccc([N-]S(=O)(=O)S(=O)(=O)c2ccccc2)c(N2CCN[C@H](Br)C2)c1,C39481769_decoy,PA2GA,Decoy,0,-10.2172,-6.46,-2.72,-7.510833620780699
CC(C)S(=O)(=O)S(=O)(=O)[N-]c1ccc(S(=O)(=O)c2ccccc2)cc1N1CCN[C@H](Cl)C1,C39482666_decoy,PA2GA,Decoy,0,-12.1845,-6.42,,99.0
CCOC(=O)[C@@H]1[C@H](C)[C@H](C(=O)OCC)S[C@@H]1NC(=O)CSc1nnc2nc([O-])cc(C(C)(C)C)n12,C39732330_decoy,PA2GA,Decoy,0,-11.9545,-7.66,-3.25,-9.31483110690928
COc1ccc(-c2noc(CCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)n2)cc1OC,C21122765_decoy,PA2GA,Decoy,0,-11.2245,-8.53,-1.88,-10.161922393415807
CC1=C2C(=O)N=C(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)N=C2S[C@@H]1C(=O)[O-],C39926971_decoy,PA2GA,Decoy,0,-10.9578,-7.45,-2.81,-6.45436185367752
CC1=C2C(=O)N=C(SCC(=O)Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3)N=C2S[C@H]1C(=O)[O-],C39926972_decoy,PA2GA,Decoy,0,-11.6317,-7.29,-1.68,-7.832028712726503
O=C(C1=C([O-])C(=O)N(c2nnc(SC/C=C/c3ccccc3)s2)[C@@H]1c1ccc(O)cc1)c1ccco1,C40000554_decoy,PA2GA,Decoy,0,-14.2765,-6.34,-2.64,-9.442518502572025
Cc1cc(OC(C)C)ccc1C(=O)C1=C([O-])C(=O)N(CCOCCO)[C@H]1c1cccc(Br)c1,C40084194_decoy,PA2GA,Decoy,0,-12.0983,-8.09,-3.0,-9.57004142200337
COc1ccc(Br)cc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2C)=C([O-])C(=O)N1CCO,C40084894_decoy,PA2GA,Decoy,0,-12.1412,-7.52,-2.07,-9.666941879550704
O=C(C1=C([O-])C(=O)N(CCOCCO)[C@@H]1c1cccc(Oc2ccccc2)c1)c1ccc2c(c1)OCCO2,C40096316_decoy,PA2GA,Decoy,0,-10.9,-9.2,-3.07,-10.194153704592026
CN(C)c1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)=C([O-])C(=O)N2CCO)cc1,C40112187_decoy,PA2GA,Decoy,0,-11.5606,-6.67,-3.98,-7.449087383243584
CC[C@@H](C)[C@H](C(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)N1C(=O)c2ccccc2C1=O,C40845437_decoy,PA2GA,Decoy,0,-10.3184,-7.76,-2.94,-7.024322324151554
C/C=C\CN1C(=O)[C@@H]2[C@@H](C1=O)[C@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])N[C@H]2c1ccc(-c2ccccc2)cc1,C43218313_decoy,PA2GA,Decoy,0,-11.2651,-8.2,-2.76,-7.742439472163415
CCc1ccc(N2C(=O)[C@H]3[C@@H](c4cc(C)ccc4C)N[C@@](Cc4ccc([N+](=O)[O-])cc4)(C(=O)[O-])[C@@H]3C2=O)cc1,C33860038_decoy,PA2GA,Decoy,0,-8.53327,-5.52,-3.88,-5.086569605110669
CC1(C)C[C@H]([C@H](CC(=O)[O-])NC(=O)CO/N=C2/C=C3CC[C@H]4[C@@H](CC[C@@]5(C)[C@@H](O)CC[C@@H]45)[C@]3(C)CC2)CCO1,C43740135_decoy,PA2GA,Decoy,0,-11.2825,-7.97,-3.51,-6.969057438212028
CC1(C)C[C@H]([C@H](CC(=O)[O-])NC(=O)CO/N=C2/C=C3CC[C@H]4[C@@H]5CC[C@H](O)[C@]5(C)CC[C@@H]4[C@]3(C)CC2)CCO1,C43740141_decoy,PA2GA,Decoy,0,-11.3387,-8.99,-4.32,-8.549690190369525
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@@]4(C)[C@@H]3CC[C@]21C,C43740196_decoy,PA2GA,Decoy,0,-11.4466,-8.49,-2.64,-7.504314322811266
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCC5CCC(C(=O)[O-])CC5)CC[C@@]4(C)[C@H]3CC[C@]21C,C43740200_decoy,PA2GA,Decoy,0,-12.2821,-8.2,-1.99,-8.951353091072818
CCOc1cc(/C=C/c2nc([O-])[nH]c(=O)c2[N+](=O)[O-])cc(Br)c1OCc1ccccc1C#N,C09234740_decoy,PA2GA,Decoy,0,-9.6376,-8.13,-2.25,-7.880040386675328
CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=CC(NOCC(=O)N[C@@H](CC(=O)[O-])[C@H]5CCOC(C)(C)C5)=CC[C@]4(C)[C@H]3CC[C@@]21C,C01815572_decoy,PA2GA,Decoy,0,-12.447,-10.39,-1.76,-10.498316482692347
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)C1(c2cc(-c3ccc4c(c3)OCO4)on2)CC1,C56921255_decoy,PA2GA,Decoy,0,-13.3797,-7.3,-3.99,-7.931768550950308
O=C(CN1CCN(CC/N=C/C2=C([O-])C[C@H](c3ccc(F)cc3)CC2=O)CC1)NC1Cc2ccccc2C1,C21344432_decoy,PA2GA,Decoy,0,-12.5076,-10.05,-1.8,-8.897447378485605
O=C(CSc1ncc(S(=O)(=O)c2cccc(C(F)(F)F)c2)c([O-])n1)Nc1ccc2c(c1)OCO2,C46016297_decoy,PA2GA,Decoy,0,-11.4549,-8.73,-2.11,-9.60865486862404
CC(C)OCCCNC(=O)C1CCN(S(=O)(=O)c2ccc3nc4c(c(C(=O)[O-])c3c2)C[C@H](C)CC4)CC1,C20355710_decoy,PA2GA,Decoy,0,-12.9181,-8.97,,99.0
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(OCC(C)C)cc3)cc2)ncn1,C66200671_decoy,PA2GA,Decoy,0,-11.7078,-8.42,-1.73,-7.771050790467984
O=C(CSc1nc2ccccc2c(=O)n1NC(=O)c1cccs1)NCc1ccccc1,C02974033_decoy,PA2GA,Decoy,0,-10.7899,-8.06,-2.48,-10.639243929539052
CCCC(=O)Nc1ccc(S(=O)(=O)Nc2ccc3c(c2)CN(C(=O)CC)CC3)cc1,C08977012_decoy,PA2GA,Decoy,0,-10.5216,-7.69,-1.95,-8.398978825994048
N#C/C(=C\c1cn(CC(=O)NCc2ccco2)c2ccccc12)C(=O)Nc1ccc(F)cc1,C00883547_decoy,PA2GA,Decoy,0,-10.9838,-8.53,-3.09,-11.942939395653209
O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1,C09631019_decoy,PA2GA,Decoy,0,-10.5595,-9.68,-0.96,-12.473264772136904
C=CCn1c(SCC(=O)NNC(=O)c2ccc(Cl)cc2)nc2ccccc2c1=O,C02618525_decoy,PA2GA,Decoy,0,-11.1741,-8.64,-1.83,-9.487738733764097
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2CCNC(=O)C(=O)NC2CCCCCC2)cc1,C09745135_decoy,PA2GA,Decoy,0,-10.8518,-9.88,-2.11,-16.131307146625616
CC(C)NS(=O)(=O)c1ccc(C(=O)Nc2cc(C(F)(F)F)ccc2-n2cccn2)cc1,C10406365_decoy,PA2GA,Decoy,0,-9.96196,-7.46,-0.94,-9.374603213473002
CCCC(=O)Nc1ccc(-c2csc(NC(=O)c3cccc(N4CCCC4=O)c3)n2)cc1,C11434829_decoy,PA2GA,Decoy,0,-10.0481,-8.25,-3.45,-7.293570094668399
CC(=O)c1cccc(NC(=O)CSc2ccc(NC(=O)c3cccc(F)c3)nn2)c1,C11737982_decoy,PA2GA,Decoy,0,-11.4493,-9.42,-2.36,-8.803346100476219
O=S(=O)(NCc1ccco1)c1cccc(NS(=O)(=O)c2cccc(Cl)c2)c1,C12630689_decoy,PA2GA,Decoy,0,-10.0219,-7.8,-1.47,-8.725878893353237
C[C@H](C(=O)Nc1ccccc1C(=O)NC1CCCCC1)N(c1ccccc1)S(C)(=O)=O,C13893084_decoy,PA2GA,Decoy,0,-9.25087,-8.88,-1.32,-8.777452297170708
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)c2cc3cc(Cl)ccc3o2)cc1,C14937149_decoy,PA2GA,Decoy,0,-10.0417,-7.39,-1.6,-7.953851138611576
CC(C)NS(=O)(=O)c1cccc(C(=O)N[C@@H](c2ccc3c(c2)OCCO3)C(C)C)c1,C15027262_decoy,PA2GA,Decoy,0,-10.3566,-7.12,-3.41,-7.419324110125848
O=C(NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-])c1ccc(Br)o1,C15033431_decoy,PA2GA,Decoy,0,-7.90501,-6.43,-2.45,-6.886059227406989
C=CCNC(=O)c1ccccc1NC(=O)c1ccc(S(=O)(=O)N2CCCCCC2)cc1,C15609228_decoy,PA2GA,Decoy,0,-10.4798,-6.82,-2.53,-7.249845095178163
CC(C)N(Cc1nc(C(=O)NCc2ccco2)cs1)C(=O)Nc1ccc(Cl)cc1,C16459818_decoy,PA2GA,Decoy,0,-9.97838,-7.19,-1.71,-8.244787778399655
COCC[NH+]1CCc2nc(SCC(=O)Nc3ccc(Br)cc3)nc([O-])c2C1,C20467814_decoy,PA2GA,Decoy,0,-11.4507,-7.97,-1.08,-10.233223033243178
CN1C(=O)C(C)(C)c2cc(S(=O)(=O)NCC(=O)NCCc3ccc(Cl)cc3)ccc21,C20487187_decoy,PA2GA,Decoy,0,-10.2382,-8.78,-1.22,-7.536489278735142
O=C(CCNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)C1CC1)NC1CCCCCCC1,C21111897_decoy,PA2GA,Decoy,0,-10.3628,-9.15,-0.76,-12.15272463214019
Cc1ccc(CCNC(=O)c2cccc(NC(=O)Cn3c(C)cc(C)c(C#N)c3=O)c2)cc1,C21354237_decoy,PA2GA,Decoy,0,-9.87432,-10.4,-1.8,-8.804494748869887
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)cc2)ccc1F,C22612566_decoy,PA2GA,Decoy,0,-8.86171,-8.89,-3.22,-7.397027891039306
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N(C)CC(=O)NC(C)(C)C)cc2)cc1,C24075625_decoy,PA2GA,Decoy,0,-9.01008,-8.58,-2.28,-7.969434538470552
Cc1cc(C)c(NC(=O)CNC(=O)CSc2nnc3ccc(C(F)(F)F)cn23)c(C)c1,C24144211_decoy,PA2GA,Decoy,0,-10.9252,-8.02,-0.98,-8.055072405211641
CC(C)N(C)S(=O)(=O)c1ccc(NCC(=O)Nc2ccc(C#N)c(Cl)c2)cc1,C25073611_decoy,PA2GA,Decoy,0,-9.9934,-7.22,-4.76,-6.356338212967556
CC(C)CC(=O)Nc1ccc(NC(=O)c2cc(S(=O)(=O)N(C)C)ccc2Cl)cc1,C26386303_decoy,PA2GA,Decoy,0,-10.5278,-8.8,-2.89,-10.29099586586919
CCC(=O)Nc1ccc([C@H](C)NC(=O)c2sccc2S(=O)(=O)N2CCCCC2)cc1,C31827415_decoy,PA2GA,Decoy,0,-11.2488,-8.85,-3.78,-9.683547063272131
Cc1ccc(NC(=O)CSc2ccc(N3CCC(C(=O)NC4CC4)CC3)nn2)c(C)c1,C33277132_decoy,PA2GA,Decoy,0,-12.4171,-9.38,-3.2,-13.642066760704314
CCCNC(=O)[C@@H]1CCCN(c2[nH+]cccc2[N-]S(=O)(=O)c2cccc(Cl)c2)C1,C33303075_decoy,PA2GA,Decoy,0,-10.4945,-8.93,-2.2,-10.48898398235704
Cc1nc(NC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)sc1-c1nccn1C,C34865625_decoy,PA2GA,Decoy,0,-11.5715,-6.99,-1.57,-6.964109385747563
C[C@@H](CC(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)NC(=O)c1ccccc1,C12796606_decoy,PA2GA,Decoy,0,-10.1378,-8.6,-1.47,-10.776455407090175
Cc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)C(C)C)c3)[C@@H]2C(=O)NC(C)C)cc1,C36218803_decoy,PA2GA,Decoy,0,-9.88882,-9.76,-2.1,-11.976026950266755
C=CCN1C(=O)N[C@@H](c2ccc(C(F)(F)F)cc2)C2=C1CN(CC(=O)NC1CC1)C2=O,C40389685_decoy,PA2GA,Decoy,0,-9.07765,-7.92,-3.33,-7.992633624114147
NC(=O)CSc1ncc(-c2cccc([N+](=O)[O-])c2)n1-c1cccc(C(F)(F)F)c1,C44087813_decoy,PA2GA,Decoy,0,-10.2766,-8.05,-2.07,-10.117376666828466
CCOC(=O)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1Cl,C44844036_decoy,PA2GA,Decoy,0,-10.4919,-8.48,-1.68,-8.716403673008797
Cc1ccc(-c2nnc([S-])n2CC(=O)NC[C@@H](c2ccco2)[NH+]2CCCCC2)cc1,C45819975_decoy,PA2GA,Decoy,0,-10.5841,-8.78,-2.54,-8.98400479751643
COc1ccc([C@@H](CNC(=O)c2cc3c(C)cc(C)cc3[nH]2)N2CCOCC2)cc1OC,C45828860_decoy,PA2GA,Decoy,0,-9.94027,-8.12,-2.66,-8.388523704045951
CCOc1ccc(CNS(=O)(=O)c2ccc3c(c2)C(=C2CCCC2)C(=O)N3)cc1OC,C46054007_decoy,PA2GA,Decoy,0,-10.0155,-8.0,-2.91,-8.134241262810248
CCCNC(=O)c1cccc(NC(=O)[C@@H]2CCCN2S(=O)(=O)c2ccc(C)cc2)c1,C46880401_decoy,PA2GA,Decoy,0,-9.86563,-7.96,-3.3,-8.17827684954639
CCNC(=O)C1CCN(c2cc(SCC(=O)Nc3ccc(C)cc3C)ncn2)CC1,C49402043_decoy,PA2GA,Decoy,0,-11.3534,-8.78,-1.25,-14.535880499112592
CCc1c(C)c2ccc(NC(=O)c3ccc(S(=O)(=O)N(CC)CC)cc3)cc2[nH]c1=O,C49472087_decoy,PA2GA,Decoy,0,-9.94717,-7.07,-2.75,-6.822910765611248
COC(=O)c1ccc(N2CCOCC2)c(NC(=S)NC(=O)c2ccc(C)cc2Cl)c1,C57327503_decoy,PA2GA,Decoy,0,-10.2513,-7.11,-2.51,-8.031846765536285
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@@H](NC(=O)c1ccccc1C)C(C)C,C24945252_decoy,PA2GA,Decoy,0,-8.56411,-8.33,-2.33,-7.451083017506357
Cc1cc(NC(=O)c2ccc(Cl)c(S(=O)(=O)NC[C@H]3CCCO3)c2)ccc1N(C)C,C31236633_decoy,PA2GA,Decoy,0,-10.5974,-7.87,-1.6,-8.736021598454384
C[C@H](Sc1nc2ccccc2c(=O)n1CCCO)C(=O)Nc1nc2ccccc2s1,C58985729_decoy,PA2GA,Decoy,0,-12.1316,-8.22,-2.86,-8.807691477908357
CC(=O)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1,C59132927_decoy,PA2GA,Decoy,0,-10.5824,-7.5,-3.39,-7.469130644010735
CCCNC(=O)c1ccc(NC(=O)C2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,C59800309_decoy,PA2GA,Decoy,0,-10.5687,-9.36,-3.59,-9.933288735954518
COC(=O)[C@H](CCSC)NC(=O)N1CCc2nc[nH]c2[C@@H]1c1ccc(F)c(F)c1F,C20732840_decoy,PA2GA,Decoy,0,-11.4701,-7.68,-3.58,-9.718187716729378
O=C(C[C@@H]1S/C(=N\Cc2ccco2)NC1=O)Nc1ccc(Oc2ccccc2)cc1,C13130428_decoy,PA2GA,Decoy,0,-11.4784,-6.36,-0.68,-7.521928290305717
C=CCN1C(C)=C(c2csc(NC(=O)CCc3c(C)[nH]c(=O)c(C#N)c3C)n2)C[C@@H]1C,C63900330_decoy,PA2GA,Decoy,0,-11.8249,-6.61,-2.5,-6.843845761188847
COC(=O)CC1=CC(=O)N(CC(=O)Nc2ccc(C(F)(F)F)cc2)c2ccccc2N1,C64869441_decoy,PA2GA,Decoy,0,-9.71651,-8.17,-1.86,-8.12331080530988
N#C/C(=C\Nc1ccc(O)c(C(=O)[O-])c1)c1nc(-c2ccc3c(c2)OCO3)cs1,C01882634_decoy,PA2GA,Decoy,0,-11.5548,-7.07,-3.72,-7.642847704905749
O=C(CN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ccc(O)cc1C(=O)[O-],C08996073_decoy,PA2GA,Decoy,0,-11.2988,-9.12,-1.62,-13.832649531697433
O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccc(C(=O)[O-])c(O)c1,C09215945_decoy,PA2GA,Decoy,0,-11.7186,-9.79,-2.82,-8.252951093737112
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cc(Cl)cc(Cl)c1,C10505227_decoy,PA2GA,Decoy,0,-9.51265,-8.27,-2.09,-10.032736943518366
O=C([O-])c1cccc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ncccn4)cc3[C@H]3C=CC[C@H]32)c1,C12428652_decoy,PA2GA,Decoy,0,-12.2068,-8.9,-0.81,-9.82957842337671
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NNC(=O)c1cc2c(s1)CC[C@H](C)C2,C13029441_decoy,PA2GA,Decoy,0,-11.0766,-9.32,-0.81,-11.665326385977988
Cc1ccc(C(=O)NNS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)c(C)c1,C13059864_decoy,PA2GA,Decoy,0,-10.4561,-8.58,-1.91,-8.203373935503976
O=C(NC(=S)Nc1cc([N+](=O)[O-])ccc1[O-])c1cccc(I)c1,C09064929_decoy,PA2GA,Decoy,0,-9.47722,-4.79,-2.52,-5.129676365431427
CNS(=O)(=O)c1cc(NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)ccc1C,C13196393_decoy,PA2GA,Decoy,0,-10.5724,-8.25,-2.06,-9.181074361813298
O=C(CSc1n[nH]c(=O)n1C1CC1)Nc1c(Cl)cc(Cl)cc1C(=O)[O-],C13218736_decoy,PA2GA,Decoy,0,-10.7805,-8.0,-1.04,-10.484601130395596
CNC(=O)c1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)ccc2C(=O)[O-])cc1,C13317347_decoy,PA2GA,Decoy,0,-9.33399,-8.16,-4.89,-7.951352289055188
O=C(Nc1ccc(S(=O)(=O)NCC(F)(F)F)cc1)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C13469494_decoy,PA2GA,Decoy,0,-10.3685,-7.06,-2.44,-7.148723333364358
C/C(=N\N=C1/NC(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1ccc(C)cc1,C13941998_decoy,PA2GA,Decoy,0,-10.9929,-6.5,-1.57,-6.600630763232441
Cc1ccc(N2C(=O)S[C@H](CC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)c(C)c1,C16923674_decoy,PA2GA,Decoy,0,-11.6404,-9.79,-2.16,-16.527194545644253
Cc1ccc(N2C(=O)S[C@H](CC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1C,C16923832_decoy,PA2GA,Decoy,0,-11.4995,-9.23,-2.41,-12.730439667532297
Cc1ccc(N2C(=O)S[C@H](CC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1C,C16923845_decoy,PA2GA,Decoy,0,-10.1432,-8.27,-1.68,-8.082235278578528
Cc1ccc(C)c(N2C(=O)S[C@H](CC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)c1,C16923993_decoy,PA2GA,Decoy,0,-11.4767,-9.66,-1.36,-17.022775781465445
O=C(Nc1ccccc1F)c1ccsc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-],C17079251_decoy,PA2GA,Decoy,0,-11.1656,-7.88,-1.55,-7.854382141974352
O=C(NC1CC1)c1c(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])sc2c1CCCC2,C17079684_decoy,PA2GA,Decoy,0,-11.6735,-8.48,-0.9,-13.412775942534378
CC(C)(C)[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CC2)C1,C17080229_decoy,PA2GA,Decoy,0,-11.455,-6.87,-2.76,-8.881203974033962
O=C([O-])[C@H]1CCCC[C@H]1C(=O)Nc1ccc(S(=O)(=O)/N=c2/[nH]ccs2)cc1,C19864213_decoy,PA2GA,Decoy,0,-10.4367,-6.72,-3.02,-6.119189722663559
NS(=O)(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1,C17208787_decoy,PA2GA,Decoy,0,-10.4921,-5.68,-4.08,-5.533596426457733
Nc1ncc(Br)cc1S(=O)(=O)[N-]c1ccc(OC(F)(F)F)cc1,C20467674_decoy,PA2GA,Decoy,0,-10.6255,-7.77,-1.64,-8.638822587911383
O=C([O-])C(=O)/C(C(=O)c1ccc(Cl)cc1)=C1\O[C@@](O)(c2ccc(Cl)cc2)C=C1O,C20478059_decoy,PA2GA,Decoy,0,-9.59641,-8.2,-0.9,-6.260739903896637
O=C(C[C@@H]1S/C(=N/N=C2CCCCCC2)NC1=O)Nc1ccc(C(=O)[O-])cc1,C28049997_decoy,PA2GA,Decoy,0,-8.92539,-8.63,-1.96,-8.23724538063449
CC(C)NC(=O)Nc1ccc([N-]S(=O)(=O)c2cc(Cl)ccc2C#N)cc1,C31668252_decoy,PA2GA,Decoy,0,-10.4508,-8.05,-2.58,-8.037200921190125
CC(=O)c1c(C)oc2ccc(NS(=O)(=O)c3ccc(O)c(C(=O)[O-])c3)cc12,C04001826_decoy,PA2GA,Decoy,0,-11.6946,-8.76,-1.37,-12.637991131533813
Cc1cc(C)c(C(=O)[O-])c(SCC(=O)NC(=O)N[C@H]2CCC[C@@H](C)[C@@H]2C)n1,C39630307_decoy,PA2GA,Decoy,0,-9.50227,-7.02,-3.78,-4.816260316410037
S=C(Nc1cccc(-c2nnn[n-]2)c1)Nc1ccc(Br)cc1Cl,C39974012_decoy,PA2GA,Decoy,0,-10.1033,-6.25,-1.39,-7.092842746341753
COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2Cc2ccco2)ccc1O,C39898746_decoy,PA2GA,Decoy,0,-10.4669,-8.65,-2.85,-9.617092111684723
O=C(NC1CCC(O)CC1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1,C41295563_decoy,PA2GA,Decoy,0,-9.31727,-9.41,-1.15,-7.972240704473332
C[C@H](NC(=O)c1cccs1)/C([O-])=C(/C#N)C(=O)Nc1ccc(F)c(Cl)c1,C50949509_decoy,PA2GA,Decoy,0,-10.4542,-7.92,-3.33,-10.354215849446469
COc1cc(/C=N\n2c([S-])nnc2-c2cc(-c3ccccc3)n[nH]2)ccc1O,C01278834_decoy,PA2GA,Decoy,0,-10.9808,-7.55,-0.84,-9.148063611968984
C=C1NC2=NC(Nc3ccc(OC)cc3)=N[C@H](c3cccnc3)N2C([O-])=C1CC,C53625028_decoy,PA2GA,Decoy,0,-7.17026,-8.18,-1.72,-5.270492144098903
C/C(=N\c1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(O)cc1O,C12362711_decoy,PA2GA,Decoy,0,-11.0181,-7.82,-1.98,-7.236485512306714
CN(C)c1ccc(NC(=O)CSc2sc3c([O-])cc(=O)[nH]c3c2C#N)cc1,C04945708_decoy,PA2GA,Decoy,0,-9.55511,-7.52,-1.87,-11.264803483304895
CC(=O)Nc1ccc(S(=O)(=O)[N-]/N=C2\C(=O)Nc3ccc(C(C)C)cc32)cc1,C59155134_decoy,PA2GA,Decoy,0,-10.3518,-8.74,-1.46,-9.450481441032457
Cc1cc(C)c(CNC(=O)c2cccc([N-]S(=O)(=O)c3cccs3)c2)c(=O)[nH]1,C59290017_decoy,PA2GA,Decoy,0,-10.102,-8.57,-0.82,-9.467907464803824
CC(C)(C)c1nc2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3)cc2[nH]1,C12520238_decoy,PA2GA,Decoy,0,-9.20105,-6.59,-3.34,-8.149319329706623
O=C1C[C@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3cccc(F)c3)cc2)c2ccccc2N1,C59362514_decoy,PA2GA,Decoy,0,-10.232,-8.6,-1.91,-7.819882498957887
O=C([O-])c1cc(N2C(=O)C[C@@H](Nc3cccc(C(F)(F)F)c3)C2=O)ccc1O,C16901918_decoy,PA2GA,Decoy,0,-11.5944,-6.88,-1.55,-6.971754567908214
COCCCN1C(=O)/C(=C2/C[C@@H](c3c(Cl)cccc3Cl)NN2)C(=O)N=C1[O-],C17027987_decoy1,PA2GA,Decoy,0,-9.60712,-5.58,,-6.068659664317251
CCOC(=O)Cc1cs/c(=N/C(=O)C2=C([O-])N(CC)c3ccccc3[C@@H]2O)[nH]1,C64197100_decoy,PA2GA,Decoy,0,-11.9529,-7.96,-1.74,-8.792057448047144
CC1=C(C(=O)Nc2cccc(-c3nnn[n-]3)c2)[C@H](C)N(Cc2ccc(C)cc2)N1,C64213527_decoy,PA2GA,Decoy,0,-10.387,-8.55,-3.04,-7.75780574594799
Cc1ccc(C)c([N-]S(=O)(=O)C2=CN=C([C@H]3NN[C@H](c4ccccc4)O3)C2)c1,C64612756_decoy,PA2GA,Decoy,0,-11.5921,-8.26,-1.32,-7.810299982296243
Cc1ccc([N-]S(=O)(=O)C2=CN=C([C@@H]3NN[C@@H](c4ccccc4)O3)C2)cc1C,C64612788_decoy,PA2GA,Decoy,0,-9.94732,-9.49,-2.33,-9.04549897017614
Cc1cc(F)ccc1[N-]S(=O)(=O)C1=CN=C([C@@H]2NN[C@@H](c3ccccc3)O2)C1,C64612874_decoy,PA2GA,Decoy,0,-10.9633,-7.56,-3.61,-7.236264244287467
N#Cc1ccc([N-]S(=O)(=O)C2=CN=C([C@H]3NN[C@H](c4ccc(F)cc4)O3)C2)cc1,C64924248_decoy,PA2GA,Decoy,0,-12.0819,-7.84,-1.86,-7.271997075285847
C=CCNC(=O)c1ccc(NC(=O)/C=C/c2ccc([N-]S(C)(=O)=O)cc2)cc1,C65653943_decoy,PA2GA,Decoy,0,-9.57157,-7.23,-0.99,-6.543907995294369
C[C@@H](NC(=O)N[C@H]1C[C@@H]1c1cccc(F)c1)c1cccc([N-]S(C)(=O)=O)c1,C67562176_decoy,PA2GA,Decoy,0,-9.92104,-7.59,-1.02,-8.723301967918566
CN(C)c1ccc(NC(=O)C(=O)NC[C@@H](c2ccco2)N2CCc3ccccc32)cc1,C05152864_decoy,PA2GA,Decoy,0,-8.85419,-8.13,-1.6,-7.504718242993442
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC(=O)Nc2cc(F)ccc2C)cc1,C08079030_decoy,PA2GA,Decoy,0,-9.72745,-6.59,-1.05,-7.427065711106347
C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)cc2)C1,C04551685_decoy,PA2GA,Decoy,0,-9.11547,-8.53,-4.08,-6.798867536429664
O=C(CSc1nnc(NC(=O)c2ccccc2Br)s1)NCc1ccco1,C08823203_decoy,PA2GA,Decoy,0,-12.213,-7.33,-1.2,-9.197625638498373
COC[C@@H](C)NS(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)s2)cc1,C09120535_decoy,PA2GA,Decoy,0,-10.0907,-6.66,-1.93,-7.834773786315202
O=C(CSc1nnc(NC(=O)c2ccc(Cl)cc2Cl)s1)NC[C@@H]1CCCO1,C09600015_decoy,PA2GA,Decoy,0,-12.8356,-7.54,-1.0,-9.68995864024526
C[C@H](NC(=O)c1ccc(Cl)c(S(=O)(=O)NC2CC2)c1)c1ccc(-n2ccnc2)cc1,C09607968_decoy,PA2GA,Decoy,0,-9.73874,-7.15,-3.38,-7.474107749418283
CC[C@@H](NC(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(Cl)cc1,C09733790_decoy,PA2GA,Decoy,0,-10.8405,-9.04,-1.48,-9.332874104540137
CCc1nnc(NS(=O)(=O)c2ccc(NC(=O)/C=C/c3cccs3)cc2)s1,C10105230_decoy,PA2GA,Decoy,0,-12.9793,-6.97,-1.71,-11.520456755476983
Cc1ccc(/C=C/S(=O)(=O)NCC(=O)Nc2ccc(N3CCCC3=O)c(C)c2)cc1,C11744940_decoy,PA2GA,Decoy,0,-11.1049,-7.3,-3.16,-7.604614323685037
N#Cc1cccc(NC(=O)COC(=O)C[C@@H]2Sc3ccc(C(F)(F)F)cc3NC2=O)c1,C12426749_decoy,PA2GA,Decoy,0,-12.1371,-8.91,-2.41,-13.94723224112293
Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)o1,C13978236_decoy,PA2GA,Decoy,0,-10.0657,-8.75,-3.21,-8.043537332930192
Cc1cc(NC(=O)[C@@H](C)SCC(=O)Nc2nc(-c3ccc(F)c(F)c3)cs2)no1,C14585892_decoy,PA2GA,Decoy,0,-12.0875,-9.38,-0.4,-8.871058727236546
Cn1ccnc1[C@H](NC(=O)c1cccc(S(=O)(=O)NC2CC2)c1)c1ccc(Cl)cc1,C16262659_decoy,PA2GA,Decoy,0,-10.2781,-6.62,-1.65,-7.413027685574435
C=CCc1cc(C(=O)NNC(=O)c2cc(Br)cn2C)cc(OC)c1OC,C16271483_decoy,PA2GA,Decoy,0,-9.7368,-6.96,-2.12,-10.504251825540672
CC(C)CNC(=O)c1cc(NS(=O)(=O)c2cccc3cccnc23)ccc1N(C)C,C16568164_decoy,PA2GA,Decoy,0,-9.8118,-8.68,-2.18,-8.872845032136839
C=CCNC(=O)[C@H]1CCCN1C(=O)c1ccc(NS(=O)(=O)c2cc(C)ccc2C)cc1,C21712948_decoy,PA2GA,Decoy,0,-9.5024,-8.24,-5.33,-8.3069545447122
C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)cc1F,C21917379_decoy,PA2GA,Decoy,0,-10.4239,-7.54,-2.02,-10.214169634585671
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCN3C[C@H](C)O[C@@H](C)C3)c2)cc1,C22612349_decoy,PA2GA,Decoy,0,-10.3334,-9.18,-3.76,-9.004616854820101
NC(=O)C1CCN(C(=O)COC(=O)c2ccc(-c3cccc(C(F)(F)F)c3)o2)CC1,C22668660_decoy,PA2GA,Decoy,0,-9.64292,-9.63,-1.53,-10.571116254798111
C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(C)s2)C1,C22696747_decoy,PA2GA,Decoy,0,-10.8377,-7.52,-1.66,-7.77456327978452
CN1CCc2cc([C@@H](CNC(=O)C(=O)NCCC3=CCCCC3)N3CCOCC3)ccc21,C22734009_decoy,PA2GA,Decoy,0,-10.162,-8.87,-2.29,-11.27909517625209
CNS(=O)(=O)c1cc(C(=O)N[C@@H](CN2CCOCC2)c2ccccc2)cc(C)c1C,C22749057_decoy,PA2GA,Decoy,0,-10.0793,-8.3,-1.21,-11.109740150478716
Cc1cc(C)cc(NC(=O)C(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCOCC2)c1,C22998843_decoy,PA2GA,Decoy,0,-10.0693,-8.83,-3.02,-8.1150158467293
CCC(=O)NCC(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O,C24751695_decoy,PA2GA,Decoy,0,-10.7298,-7.9,-3.0,-13.74350876479576
CNS(=O)(=O)c1ccc(F)c(C(=O)O[C@H](C)C(=O)Nc2ccc(F)c(F)c2F)c1,C24803856_decoy,PA2GA,Decoy,0,-12.5017,-8.84,-0.86,-12.035400336217975
CCCNC(=O)CNC(=O)[C@@H]1CCCN(S(=O)(=O)c2ccc(Br)cc2)C1,C25391922_decoy,PA2GA,Decoy,0,-9.97493,-8.08,-1.23,-11.0483824924274
CCOc1ccc(OC[C@@H](O)CN2C(=O)N[C@](C)(c3ccc(F)c(F)c3)C2=O)cc1,C25700205_decoy,PA2GA,Decoy,0,-10.0355,-9.26,-1.33,-14.095551576310488
COC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Br)cc2)cc1,C30592997_decoy,PA2GA,Decoy,0,-8.31655,-7.51,-2.13,-7.685071133553493
O=S(=O)(c1ccc(NCCNc2ccc(C(F)(F)F)cn2)nc1)N1CCCCC1,C32825004_decoy,PA2GA,Decoy,0,-13.2596,-8.3,-2.0,-9.571944012731768
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)[C@H](NC(=O)c1ccccc1F)C(C)C,C32997836_decoy,PA2GA,Decoy,0,-8.66331,-8.63,-2.56,-8.213406623669659
CC(C)CCNC(=O)[C@@H]1CCCN1C(=O)c1cccc(NC(=O)c2ccc(C#N)cc2)c1,C33272255_decoy,PA2GA,Decoy,0,-9.68722,-8.38,-3.99,-8.301992174590188
CCc1ccc(S(=O)(=O)[N-]c2ccc[nH+]c2N2CCC[C@H](C(=O)NC3CC3)C2)cc1,C33303054_decoy,PA2GA,Decoy,0,-9.2794,-8.39,-1.65,-9.014524643979705
CC[C@H](C)NC(=O)[C@H]1[C@H](c2ccc(NC(C)=O)cc2)OC(=O)N1Cc1ccc(C)cc1,C35751727_decoy,PA2GA,Decoy,0,-9.72464,-9.59,-4.27,-11.070804390087826
CCNC(=O)Nc1ccc(N(C)C)c(CN(C[C@@H]2CCCO2)C(=O)c2cccc(C)c2)c1,C35944790_decoy,PA2GA,Decoy,0,-10.4176,-8.09,-3.95,-11.66999607469468
CC(C)(C)NC(=O)[C@H](c1ccc(Cl)cc1)N(Cc1ccco1)C(=O)[C@@H]1CCC(=O)N1,C36504698_decoy,PA2GA,Decoy,0,-9.18111,-7.57,-4.54,-10.275340683232535
CN(C)C(=O)c1ccc(NC(=O)CSc2nnc(NC3CCCCC3)s2)cc1,C23532864_decoy,PA2GA,Decoy,0,-12.4427,-9.16,-1.39,-10.4033238646119
Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1F,C38562125_decoy,PA2GA,Decoy,0,-10.5224,-9.41,-1.0,-14.315547579006894
CCC(=O)NCCC1=c2ccccc2=[NH+][C@H]1/C=C1\C(=O)N([C@@H](C)CC)C(=S)N=C1[O-],C38669278_decoy,PA2GA,Decoy,0,-9.92357,-7.41,-3.84,-9.950433810682496
C[C@H](OC(=O)C[C@@H](NC(=O)c1ccccc1)c1ccccc1)c1nc2ccccc2c(=O)[nH]1,C39482531_decoy,PA2GA,Decoy,0,-9.63588,-6.5,-4.22,-7.1570744185740045
C[C@@H](OC(=O)CNC(=O)c1sc2ccccc2c1Cl)C(=O)NCc1ccco1,C39542672_decoy,PA2GA,Decoy,0,-10.4802,-8.71,-1.26,-10.77553674955442
CCn1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3[C@@H](C)CCC[C@@H]3C)cc2)n1,C39974500_decoy,PA2GA,Decoy,0,-11.3969,-7.89,-4.4,-7.725078825989732
CCCCN1C(=O)/C(=C/c2c(NC[C@H](C)O)nc3c(C)cccn3c2=O)SC1=S,C40007730_decoy,PA2GA,Decoy,0,-11.7855,-6.85,-1.05,-9.132860476472644
CC(C)(C)n1ncc(C(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)c1C(F)(F)F,C40116137_decoy,PA2GA,Decoy,0,-9.31486,-7.78,-4.41,-7.949427894503032
CNC(=O)c1ccc(CN(Cc2ccco2)C(=O)c2ccc(NC(=O)C(C)C)cc2)cc1,C45929598_decoy,PA2GA,Decoy,0,-9.99679,-9.14,-4.18,-12.905765429606754
NC(=O)c1ccc(S(=O)(=O)N2CCN(CCSc3ccc(Cl)cc3)CC2)o1,C58156981_decoy,PA2GA,Decoy,0,-11.2321,-7.13,-2.25,-7.257622591401891
CN(C)c1ccc(NC(=O)c2ccc(S(=O)(=O)NCCC#N)cc2)c(C(F)(F)F)c1,C59576363_decoy,PA2GA,Decoy,0,-11.568,-7.32,-3.87,-8.309588502104083
C=CCOc1ccc(C(=O)Nc2ccc([C@@]3(CC)CCC(=O)NC3=O)cc2)cc1OC,C59989155_decoy,PA2GA,Decoy,0,-10.4182,-7.78,-2.6,-7.778188952088801
Cc1ccc(S(=O)(=O)NC[C@@H]2CCCN(C(=O)CNC(=O)C3CCCC3)C2)cc1,C60359503_decoy,PA2GA,Decoy,0,-10.4358,-8.62,-0.86,-11.28428993547312
O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1ccc(F)cc1,C65314729_decoy,PA2GA,Decoy,0,-12.888,-8.65,-1.62,-10.178365717324114
COc1ccc([C@H]2CC(=O)NC(SCC(=O)Nc3ccc(C)cc3)=C2C#N)cc1OC,C00795216_decoy,PA2GA,Decoy,0,-9.49296,-8.03,-3.12,-7.822311342156405
CCCNS(=O)(=O)c1ccc(NC(=O)[C@H]2CC(=O)N(c3ccc(C)c(C)c3)C2)cc1,C09191143_decoy,PA2GA,Decoy,0,-10.5265,-7.81,-1.38,-7.451103211164012
O=c1[nH]c2ccc(S(=O)(=O)N(CCc3ccccc3)Cc3ccccc3)cc2[nH]c1=O,C09597725_decoy,PA2GA,Decoy,0,-9.82033,-9.46,-2.55,-10.36549442726642
CCC(=O)N1CCc2cc(S(=O)(=O)N[C@@H](C(=O)NC3CCCCC3)C(C)C)ccc21,C09692113_decoy,PA2GA,Decoy,0,-11.317,-8.94,-2.4,-10.31226947017043
Cc1ccc(NC(=O)C(=O)NCC[C@H]2CCCCN2S(=O)(=O)c2cccs2)cc1,C09746549_decoy,PA2GA,Decoy,0,-10.1666,-8.96,-3.6,-9.21683040600892
O=C(NCC(F)(F)F)c1ccc(S(=O)(=O)NCCc2ccc3c(c2)OCCO3)cc1,C09767557_decoy,PA2GA,Decoy,0,-9.51477,-9.26,-1.9,-8.152224831500408
Cc1ccc(S(=O)(=O)N[C@H](C(=O)NCc2ccc(N3CCCC3=O)cc2)C(C)C)cc1,C10454597_decoy,PA2GA,Decoy,0,-10.146,-8.51,-1.75,-8.669481790591655
N#Cc1ccsc1NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1,C10723850_decoy,PA2GA,Decoy,0,-10.3238,-7.4,-1.09,-9.576745187942487
C#CCNS(=O)(=O)c1ccc(C(=O)NCC2(c3ccc4c(c3)OCCO4)CCCC2)cc1,C10778584_decoy,PA2GA,Decoy,0,-10.4906,-7.74,-1.27,-10.217315998066075
S=C(NCc1ccco1)Nc1ccc2nc(-c3ccccn3)c(-c3ccccn3)nc2c1,C06475638_decoy,PA2GA,Decoy,0,-9.88714,-7.18,-4.31,-6.959434873114121
CC(=O)Nc1ccc(S(=O)(=O)NCC(=O)N(C)Cc2ccc(Cl)cc2Cl)cc1,C12784836_decoy,PA2GA,Decoy,0,-9.69635,-8.54,-4.17,-8.755363089901437
O=C(CCNS(=O)(=O)c1ccc(Cl)cc1)NCCc1ccc2c(c1)OCCO2,C12798372_decoy,PA2GA,Decoy,0,-10.1252,-8.44,-1.63,-9.81682223022767
CC(C)NC(=O)CN(CC(=O)NC(C)C)S(=O)(=O)c1ccc(Br)s1,C12926548_decoy,PA2GA,Decoy,0,-10.5732,-6.0,-1.27,-9.09589945438309
CCC(CC)c1nnc(NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(F)cc34)C2)s1,C13944941_decoy,PA2GA,Decoy,0,-13.1537,-7.87,-1.37,-7.877576611666219
Cc1cc(C)cc(C(=O)NCC(=O)NCCN2C(=O)S/C(=C\c3cccs3)C2=O)c1,C14229066_decoy,PA2GA,Decoy,0,-10.7618,-7.54,-2.41,-8.760985491038975
CC(C)N(C)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1,C15388079_decoy,PA2GA,Decoy,0,-10.6334,-7.93,-2.25,-9.269151271587932
CSCC[C@@H](NS(=O)(=O)c1ccccc1F)C(=O)Nc1ccc2oc(C)nc2c1,C15569235_decoy,PA2GA,Decoy,0,-10.1906,-6.49,-1.87,-7.351483085063623
C[C@H]1Cc2cc(S(=O)(=O)NCCC(=O)NC3CCCC3)ccc2N1C(=O)C1CC1,C20529693_decoy,PA2GA,Decoy,0,-10.961,-8.66,-2.42,-9.993776272229915
Cc1ccc(S(=O)(=O)[C@@H](CNC(=O)C(=O)NC2CCCCCC2)c2ccco2)cc1,C20614935_decoy,PA2GA,Decoy,0,-10.3491,-7.96,-0.53,-8.134281760196133
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)NCCN3C[C@@H](C)O[C@H](C)C3)c2)cc1,C22612344_decoy,PA2GA,Decoy,0,-9.83578,-9.21,-3.64,-9.599553161300804
CCC(C)(C)C1CCC2(CC1)NC(=O)N(CC(=O)NCCc1csc(C)n1)C2=O,C22761547_decoy,PA2GA,Decoy,0,-11.169,-8.67,-1.37,-9.456418560458454
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)c(C)c1,C22998901_decoy,PA2GA,Decoy,0,-8.77738,-8.77,-2.17,-7.491495130146457
C=CCNC(=O)c1ccccc1NC(=O)[C@@H]1CCCN(S(=O)(=O)c2cccs2)C1,C24606616_decoy,PA2GA,Decoy,0,-10.7132,-8.2,-1.61,-9.15682795648105
C[C@H](NC(=O)CNC(=O)c1cccc(S(=O)(=O)N(C)C)c1)c1ccc(F)c(F)c1,C24630483_decoy,PA2GA,Decoy,0,-10.1309,-8.6,-2.27,-10.863424921192848
CC(C)C(=O)NCCNC(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1,C28212386_decoy,PA2GA,Decoy,0,-10.7399,-8.68,-3.07,-11.158332835108734
Cn1cc(S(=O)(=O)NCc2ccco2)cc1C(=O)NC[C@H]1CCCc2ccccc21,C29110344_decoy,PA2GA,Decoy,0,-10.6011,-8.92,-1.67,-10.959263908438
CNC(=O)c1ccc(CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1,C31529625_decoy,PA2GA,Decoy,0,-9.7864,-8.06,-2.93,-11.077677295614969
Cc1ccc(NS(=O)(=O)c2ccc(C(=O)N[C@@H](CC(C)C)C(=O)N(C)C)cc2)cc1,C32932396_decoy,PA2GA,Decoy,0,-9.78809,-6.37,-2.55,-7.263317779203507
O=C(Nc1ccc(N2CCCC2)c(C(=O)NCCCN2CCOCC2)c1)c1cccs1,C35227515_decoy,PA2GA,Decoy,0,-10.4523,-6.8,-1.04,-7.4553795884551874
O=C(Cc1ccc2c(c1)OCCCO2)NCCSCc1nc2ccccc2c(=O)[nH]1,C35686387_decoy,PA2GA,Decoy,0,-10.9681,-7.33,-2.8,-8.000416942984318
CC(=O)Nc1ccc([C@H]2OC(=O)N(Cc3cccc(C)c3)[C@@H]2C(=O)NCC2CC2)cc1,C35752196_decoy,PA2GA,Decoy,0,-9.28084,-9.25,-2.28,-12.625651242662466
O=C(NCC[C@H]1CCCCN1S(=O)(=O)c1cccs1)C(=O)Nc1ccccc1F,C16689716_decoy,PA2GA,Decoy,0,-11.0086,-8.21,-4.21,-10.086962710678309
C[NH+](C)[C@@H](CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)c1ccco1,C33024264_decoy,PA2GA,Decoy,0,-9.43266,-7.66,,99.0
Cc1cc(S(=O)(=O)Nc2ccc(C(=O)NCCCN3CCCC3=O)cc2)ccc1F,C22461985_decoy,PA2GA,Decoy,0,-9.65935,-8.76,-2.06,-8.548789853334942
CS(=O)(=O)NNC(=O)c1sccc1OCc1ncc(C(F)(F)F)cc1Cl,C03137887_decoy,PA2GA,Decoy,0,-10.575,-8.85,-1.38,-9.332687429499751
CCC(=O)N1CCc2cc(CNS(=O)(=O)c3ccc(NC(=O)CC(C)C)cc3)ccc21,C08599391_decoy,PA2GA,Decoy,0,-10.2904,-9.02,-0.75,-8.590995577558985
CC(=O)Nc1ccc(S(=O)(=O)NC[C@@H](c2ccc(C)cc2)N2CCOCC2)c(C)c1,C38629637_decoy,PA2GA,Decoy,0,-10.188,-8.64,-3.33,-10.2515217495078
CCC(CC)[C@@H]1NN=C(NC(=O)CCC2=NC(=O)C3=C4CCC[C@@H]4SC3=N2)S1,C38785206_decoy,PA2GA,Decoy,0,-13.6737,-8.93,-0.82,-9.514679441778402
CCOC(=O)C1=C(c2ccc(C)cc2)[C@@H](C)S[C@@H]1NC(=O)CSc1ncn[nH]1,C39741401_decoy,PA2GA,Decoy,0,-10.8382,-7.29,-0.68,-9.164284509910091
CCn1ccc(NC(=S)Nc2ccc(S(=O)(=O)N3[C@H](C)CCC[C@H]3C)cc2)n1,C39974501_decoy,PA2GA,Decoy,0,-10.4851,-7.56,-3.24,-7.566135031827448
Cc1ccc([C@H](CN2CCOCC2)NC(=O)CNC(=O)c2ccc(Br)o2)cc1,C16829278_decoy,PA2GA,Decoy,0,-10.7974,-6.86,-1.2,-10.76371841342694
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)[C@]2(C)CC2(Cl)Cl)cc1,C22511070_decoy,PA2GA,Decoy,0,-11.2212,-6.6,-1.52,-7.246058919198125
CCn1c(=O)n(CC(=O)Nc2ccc(C(=O)NCC(F)(F)F)cc2)c2ccccc21,C45328561_decoy,PA2GA,Decoy,0,-8.84457,-8.32,-2.16,-7.457766045721643
N#Cc1ccc(CSCC(=O)Nc2cc(S(=O)(=O)N3CCCC3)ccc2O)cc1,C46910386_decoy,PA2GA,Decoy,0,-11.1886,-7.38,-3.15,-10.977707998310612
O=C1CSC(Nc2nnc(SCC(=O)Nc3ccccc3C(F)(F)F)s2)=N1,C54201813_decoy,PA2GA,Decoy,0,-14.5534,-7.01,-0.73,-11.400793848059989
O=C(CCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)NCCc1ccc(O)cc1,C54360682_decoy,PA2GA,Decoy,0,-11.5664,-7.48,-2.41,-8.32762849892857
N#Cc1ccc(NCC(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)cc1,C15291324_decoy,PA2GA,Decoy,0,-10.4488,-9.13,-2.73,-7.995779882318998
Cc1ccc(NC(=O)CS[C@@H](C)C(=O)N2CCC(C(=O)Nc3ccc(C)cn3)CC2)cc1,C59318997_decoy,PA2GA,Decoy,0,-11.7269,-8.81,-1.36,-9.043601883564738
CC(=O)N(C)c1ccc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)cc1,C60167704_decoy,PA2GA,Decoy,0,-10.4648,-9.19,-4.8,-10.5901811872854
CCC(=O)Nc1ccc(S(=O)(=O)N2CCc3ccccc3[C@@H]2CC(=O)NC(C)C)cc1,C35559555_decoy,PA2GA,Decoy,0,-10.0446,-8.42,-1.03,-9.869343062407005
C=CCN1C(=O)/C(=C/c2c(N[C@H](CC)CO)nc3c(C)cccn3c2=O)SC1=S,C01480725_decoy,PA2GA,Decoy,0,-10.2038,-7.33,-2.06,-8.86724212287782
CC(=O)Nc1ccc(NC(=O)CCCN(c2ccc(Cl)cc2)S(C)(=O)=O)cc1,C09194695_decoy,PA2GA,Decoy,0,-9.36797,-6.6,-4.02,-7.270823433426859
Cc1cccc(NC(=O)C(=O)NCC[C@@H]2CCCCN2S(=O)(=O)c2cccs2)c1,C09746580_decoy,PA2GA,Decoy,0,-11.5441,-7.41,-4.84,-8.852409614229803
O=C(NNC(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1ccc(SC(F)F)cc1,C10372779_decoy,PA2GA,Decoy,0,-9.78554,-8.4,-1.79,-7.037561346159638
CC[C@H](C)OC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1cc(Cl)cc(Cl)c1,C10505714_decoy,PA2GA,Decoy,0,-9.8588,-7.92,,99.0
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)NCc2ccc(NC(=O)C3CC3)cc2)cc1,C10900428_decoy,PA2GA,Decoy,0,-11.1455,-10.21,-1.64,-12.038404590165875
O=c1[nH]c2cc3c(cc2cc1CN(C(=S)NC[C@@H]1CCCO1)C1CCCC1)OCO3,C00890851_decoy,PA2GA,Decoy,0,-10.9636,-8.08,-3.93,-9.1980987379469
Cc1ccc(/C=C2\SC(=O)N(CCNC(=O)CNC(=O)c3ccccc3F)C2=O)cc1,C12852017_decoy,PA2GA,Decoy,0,-9.60273,-8.1,-1.43,-9.746080324403524
CCN(Cc1nc2ccccc2c(=O)[nH]1)C(=O)CNC(=O)c1ccc(C(F)(F)F)cc1,C12934154_decoy,PA2GA,Decoy,0,-9.7939,-8.05,-1.61,-7.068911972153622
O=C(C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1)OC1CCCCC1,C14010123_decoy,PA2GA,Decoy,0,-10.7348,-7.63,-1.77,-9.247469828103595
CC(C)COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1ccc(Cl)cc1Cl,C14663672_decoy,PA2GA,Decoy,0,-10.6328,-7.03,,99.0
CCN(CC)S(=O)(=O)c1ccc(F)c(C(=O)NCC(=O)Nc2ccc(F)c(F)c2)c1,C15388139_decoy,PA2GA,Decoy,0,-11.0887,-7.1,-4.96,-8.836915848039151
CCOc1ccc(NC(=O)[C@@H](C)CS(=O)(=O)c2ccc3c(c2)NC(=O)CS3)cc1,C15726815_decoy,PA2GA,Decoy,0,-10.8812,-7.59,-2.17,-8.102802546071846
C[C@H](C1CC1)N(CC(F)(F)F)C(=O)CN1C(=O)N[C@@H](Cc2c[nH]c3ccccc23)C1=O,C16047173_decoy,PA2GA,Decoy,0,-10.6632,-7.64,-3.36,-8.626957347710714
CCN(CC)S(=O)(=O)c1cc(C(=O)Nc2cccc(C(=O)NC3CC3)c2)ccc1C,C16173049_decoy,PA2GA,Decoy,0,-10.5148,-8.33,-1.75,-8.37185904507378
Cc1ccc(S(=O)(=O)N(C)CC(=O)NNC(=O)C2(c3ccc(Cl)cc3)CC2)cc1,C17406054_decoy,PA2GA,Decoy,0,-10.1953,-9.1,-1.48,-9.946600146536865
CN(CC(=O)Nc1cccc(F)c1)C(=O)CCNS(=O)(=O)c1ccc(F)c(F)c1,C18008156_decoy,PA2GA,Decoy,0,-9.97525,-7.87,-2.31,-8.216984019417497
Cc1c(C(=O)NCCN2CCOCC2)sc2ncnc(N[C@H](C)c3cccs3)c12,C20166281_decoy,PA2GA,Decoy,0,-12.4346,-6.06,-2.11,-7.917797837380097
O=C(CCC1=Nc2ccccc2S(=O)(=O)N1)NCCCOC1C2CC3CC(C2)CC1C3,C20618520_decoy,PA2GA,Decoy,0,-10.7453,-7.95,-3.09,-8.988981941075073
O=C(NCc1cc2cc(Cl)ccc2[nH]1)[C@H]1CCC(=O)N(CCCN2CCOCC2)C1,C20774325_decoy,PA2GA,Decoy,0,-10.1237,-9.44,-1.52,-10.619392732030123
O=C(CCCN1C(=O)c2ccccc2C1=O)Nc1ccccc1C(=O)NCC(F)(F)F,C21586310_decoy,PA2GA,Decoy,0,-9.63278,-9.92,-1.8,-10.483256139001874
CCCNC(=O)[C@H]1CCCN1C(=O)c1cccc(NS(=O)(=O)c2ccc(C)c(C)c2)c1,C21662757_decoy,PA2GA,Decoy,0,-8.9474,-9.35,-3.56,-7.813496374134301
Cc1ccc(NC(=O)C(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCOCC2)cc1C,C22998896_decoy,PA2GA,Decoy,0,-10.0171,-8.93,-1.3,-8.290902548940874
O=C(Cn1nc2c(c1NC(=O)c1ccc(C(F)(F)F)cc1)CSC2)NCc1ccco1,C23139300_decoy,PA2GA,Decoy,0,-10.5288,-8.98,-2.09,-11.622849126077954
N#C/C(C(=O)CSc1nc2ccccc2c(=O)n1CCCO)=C1/Nc2ccccc2S1,C23486013_decoy,PA2GA,Decoy,0,-11.5394,-9.17,-2.41,-9.38017902420756
O=C(COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2)COC(=O)C12C[C@@H]3C[C@@H](CC(O)(C3)C1)C2,C23644145_decoy,PA2GA,Decoy,0,-12.7917,-7.13,-1.4,-10.11936193560849
CC(=O)N[C@H](CC(=O)Nc1ccc(C)c(S(=O)(=O)N2CCCCC2)c1)c1cccs1,C26640177_decoy,PA2GA,Decoy,0,-10.5694,-8.38,-2.45,-8.36183366307371
C[C@H]1CCCC[C@@]12NC(=O)N(CN(Cc1ccc(C(=O)NC3CC3)cc1)C1CC1)C2=O,C27539125_decoy,PA2GA,Decoy,0,-10.294,-8.3,-1.19,-8.854208386363272
CC(=O)c1cccc(NC(=O)C[C@@H]2S/C(=N/N=C\C=C\c3ccccc3)NC2=O)c1,C28050317_decoy,PA2GA,Decoy,0,-11.7795,-7.89,,99.0
Cc1ccc(N2C(=O)C[C@@H](C(=O)NCCNC(=O)c3ccco3)[C@H]2c2cccs2)cc1,C31051562_decoy,PA2GA,Decoy,0,-9.89933,-6.95,-2.41,-7.332435888545555
O=C(CCNS(=O)(=O)c1ccc(Br)cc1)NC[C@@H]1COc2ccccc2O1,C32995811_decoy,PA2GA,Decoy,0,-10.0518,-7.95,-1.25,-9.51615821401383
CC(C)CCNC(=O)[C@H]1CCCN1C(=O)c1cccc(NC(=O)c2cccc(C#N)c2)c1,C33272254_decoy,PA2GA,Decoy,0,-9.52871,-8.72,-3.58,-7.692598773928927
O=C(CSc1ccc(N2CCC(C(=O)NC3CC3)CC2)nn1)Nc1cc(F)cc(F)c1,C33277178_decoy,PA2GA,Decoy,0,-12.9389,-8.98,-2.63,-12.276835556520302
C[C@H]1CCCC[C@H]1NS(=O)(=O)c1ccc(S(=O)(=O)NCCc2ccncc2)cc1,C35311613_decoy,PA2GA,Decoy,0,-10.7396,-8.63,-1.88,-10.194853456158512
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)CSc2ccc3c(c2)OCCO3)c1,C36773995_decoy,PA2GA,Decoy,0,-10.8256,-9.16,-1.71,-8.875544782639889
CCN(CC(=O)Nc1c(F)cccc1F)C(=O)CNC(=O)c1ccc(Br)o1,C13005013_decoy,PA2GA,Decoy,0,-9.19502,-8.41,-1.23,-8.278001373035872
C[C@H](NS(=O)(=O)c1ccc(N2CCOCC2)nc1)C(O)(c1ccccc1)c1ccccc1,C39198584_decoy,PA2GA,Decoy,0,-10.602,-7.48,-1.96,-8.560968593989806
CC(C)C(=O)N[C@@H](C)C(=O)NCCN1C(=O)S/C(=C\c2ccc(Cl)cc2Cl)C1=O,C12890963_decoy,PA2GA,Decoy,0,-11.0297,-7.56,-2.21,-8.879150188459047
CC[C@H](CO)Nc1nc2ccccn2c(=O)c1/C=C1\SC(=S)N([C@H](C)CC)C1=O,C40007947_decoy,PA2GA,Decoy,0,-11.4622,-5.99,-2.0,-7.857731314730358
CC(=O)Nc1cccc(-n2cnnc2SCC(=O)N[C@@H](c2cccs2)C(C)C)c1,C40066757_decoy,PA2GA,Decoy,0,-12.415,-7.53,-3.44,-9.547997439335154
Cc1c(C)c(C)c(S(=O)(=O)NCCC(=O)NC2CCN(C(=O)C3CC3)CC2)c(C)c1C,C45893084_decoy,PA2GA,Decoy,0,-9.57844,-8.03,-3.57,-7.270087903277071
Cc1cc(C(=O)COC(=O)C2=CCC(=O)NN2)c(C)n1-c1cccc(C(F)(F)F)c1,C03278801_decoy,PA2GA,Decoy,0,-9.75707,-8.33,-3.14,-10.298586056083678
CN(Cc1ncc[nH]1)C(=O)C[C@H]1C(=O)NCCN1CC(c1ccccc1)c1ccccc1,C55183302_decoy,PA2GA,Decoy,0,-10.0284,-8.39,-1.16,-11.806571977262683
CC(=O)Nc1ccc(NC(=O)CSc2nc3ccsc3c(=O)n2CC(C)C)cc1,C57426291_decoy,PA2GA,Decoy,0,-9.35743,-8.69,-2.82,-10.60192902659474
Cc1ccc(N/C(=N/C(=O)c2ccc(CN3CCOCC3)cc2)NCc2ccncc2)cc1,C45940131_decoy,PA2GA,Decoy,0,-9.7025,-8.36,-2.86,-8.214460815939011
Cc1cc(/C=N/NC(=O)C(=O)NCc2ccco2)c(C)n1-c1ccccc1C(F)(F)F,C58912149_decoy,PA2GA,Decoy,0,-10.5865,-7.86,-2.5,-8.163259571850382
O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)NC[C@H]2CCCO2)cc1,C59244790_decoy,PA2GA,Decoy,0,-10.6483,-7.69,-1.82,-10.93693804849154
CC(=O)NCc1ccc(-c2csc(NC(=O)COc3ccc(C(F)(F)F)cc3)n2)o1,C59274951_decoy,PA2GA,Decoy,0,-10.8889,-9.1,-1.88,-14.787117584867746
O=C1N[C@@H](CCc2ccccc2)C(=O)N1C[C@@H](O)CN1CCN(c2ccccc2)CC1,C60358161_decoy,PA2GA,Decoy,0,-10.122,-9.53,-1.55,-8.139009170097669
CCC(=O)Nc1ccc(S(=O)(=O)NCc2ccc3c(c2)CCN3C(=O)C(C)C)cc1,C64977132_decoy,PA2GA,Decoy,0,-10.076,-8.19,-2.39,-7.746998863143186
CC(C)[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccco1)C(=O)[O-],C05092759_decoy,PA2GA,Decoy,0,-9.99704,-7.81,-1.43,-10.14767103116634
CC(C)[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)cc1)C(=O)[O-],C02902308_decoy,PA2GA,Decoy,0,-10.1325,-5.7,-1.49,-7.352517371416501
CC(C)[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1Br)C(=O)[O-],C02918109_decoy,PA2GA,Decoy,0,-11.5719,-5.49,-1.3,-8.96474080223144
C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-],C02910837_decoy,PA2GA,Decoy,0,-9.41784,-6.21,-2.52,-6.327733477098543
NC(=O)CC[C@@H](C(=O)[O-])N1C(=O)c2c(Cl)c(Cl)c(Cl)c(Cl)c2C1=O,C00938075_decoy,PA2GA,Decoy,0,-10.1347,-7.65,-1.95,-12.154412868308944
O=C(CN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)c(C(=O)[O-])c1,C01839985_decoy,PA2GA,Decoy,0,-9.88198,-8.45,-1.44,-10.255832870030217
O=C(COc1ccc2c3c(c(=O)oc2c1)CCCC3)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],C11866828_decoy,PA2GA,Decoy,0,-10.5003,-9.76,-2.08,-9.16888106881094
Cc1cc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])ccc1Br,C13027208_decoy,PA2GA,Decoy,0,-10.2682,-6.05,-3.89,-6.18516667307982
CC[C@@H](Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1,C13037288_decoy,PA2GA,Decoy,0,-9.01176,-6.66,-3.88,-9.148247975311856
O=C([O-])CNC(=O)c1ccc(NC(=O)c2ccc(I)cc2)cc1,C13179809_decoy,PA2GA,Decoy,0,-10.2836,-7.58,-2.33,-14.775409493864144
Cc1ccc(S(=O)(=O)NNC(=O)c2cc(Br)cn2C)cc1C(=O)[O-],C13278520_decoy,PA2GA,Decoy,0,-10.0366,-7.76,-2.0,-8.61198917145561
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O,C13469994_decoy,PA2GA,Decoy,0,-10.8341,-9.71,-1.63,-10.987482973880688
Cc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1,C16921025_decoy,PA2GA,Decoy,0,-10.1482,-8.29,-2.2,-9.620052628233775
O=C(C[C@@H]1SC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(C(=O)[O-])c(O)c1,C16925074_decoy,PA2GA,Decoy,0,-11.7076,-7.78,-2.4,-9.289920433004138
COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-],C17100253_decoy,PA2GA,Decoy,0,-10.5768,-8.28,-1.14,-9.376294063443686
O=c1[nH]c(=O)n(CCNc2ncc(C(F)(F)F)cc2Cl)c([O-])c1Cc1ccccn1,C20365394_decoy,PA2GA,Decoy,0,-12.4403,-8.62,-1.65,-8.446274915944583
CCc1nc2sc([C@H](c3cccs3)N3CCC(C(N)=O)CC3)c([O-])n2n1,C22853836_decoy,PA2GA,Decoy,0,-12.2582,-7.41,-0.38,-9.576849556736606
N#Cc1cnn(-c2ccccc2[N-]S(=O)(=O)c2ccc(C(F)(F)F)cc2)c1N,C24578428_decoy,PA2GA,Decoy,0,-8.29644,-9.61,-1.8,-8.28556890393424
CC(C)C[C@H](NC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccco1)C(=O)[O-],C26580507_decoy,PA2GA,Decoy,0,-9.69876,-7.5,-2.82,-9.036933577711046
COC(=O)c1sc(=S)n(-c2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1N,C26948034_decoy,PA2GA,Decoy,0,-10.6589,-6.3,-1.87,-7.459980891251522
O=C(NCc1cccnc1)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc12,C17168888_decoy,PA2GA,Decoy,0,-10.4564,-9.25,-2.41,-10.23404311483702
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(Cl)cc2C(=O)N2CCC[C@H](C(N)=O)C2)c1,C36395921_decoy,PA2GA,Decoy,0,-8.69014,-8.84,-2.37,-8.38251798520037
NS(=O)(=O)c1ccc([N-]S(=O)(=O)CCCCl)c(Br)c1,C37843405_decoy,PA2GA,Decoy,0,-10.3226,-5.57,-0.91,-6.979949624932532
Cc1nc(-c2ccc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)cc2)co1,C15941453_decoy,PA2GA,Decoy,0,-11.1782,-5.38,-2.08,-6.465289088491107
CC(=O)Nc1ccc(NC(=O)CSc2nc3nc(C)c(Br)cc3[n-]2)cc1,C09308549_decoy,PA2GA,Decoy,0,-12.2347,-7.34,-1.05,-8.651475255781962
COc1ccc([C@@H]2NN(CC(=O)[O-])C=C2/C=C/c2cc(C(F)(F)F)nc(=O)[nH]2)cc1,C38708691_decoy,PA2GA,Decoy,0,-9.90642,-7.01,-1.4,-7.986234675609937
O=C(C1=C([O-])C(=O)N(CCCO)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1,C40053082_decoy,PA2GA,Decoy,0,-11.1109,-8.47,-1.13,-9.123918267118778
Cc1c(CCC(=O)NC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)c(=O)oc2cc(O)ccc12,C42711665_decoy,PA2GA,Decoy,0,-10.606,-7.65,-1.98,-7.772322657692769
C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C)C(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@]21C,C43743628_decoy,PA2GA,Decoy,0,-10.2809,-7.86,-2.24,-7.237439084027505
CC(=O)NNC(=O)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1,C45824888_decoy,PA2GA,Decoy,0,-7.30657,-8.7,-1.96,-7.293024294626677
C[C@@H](C(=O)[O-])n1c(SCC(=O)NCCc2c[nH]c3ccccc23)nc2ccccc2c1=O,C13336715_decoy,PA2GA,Decoy,0,-11.9571,-9.2,-3.81,-12.308886383029352
CCNS(=O)(=O)c1ccc(/C([O-])=N/c2nc(-c3ccc(C)s3)n[nH]2)cc1,C50006827_decoy,PA2GA,Decoy,0,-12.7435,-7.09,-1.74,-7.318349207559196
CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@]1(N[C@@H]2CCC(=O)[O-])C(=O)Nc2ccc(Cl)cc21,C16024744_decoy,PA2GA,Decoy,0,-9.47213,-4.82,-2.25,-5.738228136213686
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(NC(=O)OC)c2)c1,C55637411_decoy,PA2GA,Decoy,0,-9.18417,-6.55,-4.23,-6.980534614347936
CC(C)N(CC(N)=O)C(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)cc2)cc1,C58074285_decoy,PA2GA,Decoy,0,-9.3457,-8.06,-1.61,-8.384159847055559
NC(=O)c1ccn(-c2ccc([N-]S(=O)(=O)c3ccc(Cl)cc3F)cc2)n1,C58244440_decoy,PA2GA,Decoy,0,-10.0451,-8.12,-2.35,-8.075336571399683
CCCN(CCC)C(=O)c1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1,C58592007_decoy,PA2GA,Decoy,0,-9.63706,-7.42,-3.97,-9.32617661156688
[H]/N=C1/[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)SC(=O)[C@H]1/N=C/c1ccccn1,C58836368_decoy,PA2GA,Decoy,0,-11.3087,-8.11,-1.73,-8.538053646055591
[H]/N=C1\S[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)CC(=O)N1/N=C/c1ccc(Cl)cc1,C58836833_decoy,PA2GA,Decoy,0,-10.993,-6.93,-2.31,-7.270556522820525
Cc1ccc(NC(=O)[C@@H]2CC(=O)N=C([N-]NC(=O)c3ccccc3C)S2)cc1C,C02438142_decoy,PA2GA,Decoy,0,-11.6782,-8.67,-1.31,-8.207250426508242
COCCCN1C(=O)N=C([O-])/C(=C2\C[C@@H](c3ccc(Cl)cc3Cl)NN2)C1=O,C09058785_decoy,PA2GA,Decoy,0,-10.1995,-7.98,-3.45,-8.422278163666421
O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccc(O)c(C(=O)[O-])c1,C33542658_decoy,PA2GA,Decoy,0,-12.1923,-8.75,-1.1,-10.23915585053284
O=C(CN1C(=O)S/C(=C/c2cccs2)C1=O)Nc1ccc(O)cc1C(=O)[O-],C33543064_decoy,PA2GA,Decoy,0,-10.6328,-8.21,-4.8,-11.784359677587585
O=C(NNC(=O)c1ccccc1)C1=NCC(S(=O)(=O)[N-]c2ccccc2F)=C1,C64103821_decoy,PA2GA,Decoy,0,-9.40663,-6.24,-0.6,-6.064256499600137
CCCS(=O)(=O)[N-]c1ccccc1C(=O)N[C@H](C)C(=O)NCc1ccco1,C65912838_decoy,PA2GA,Decoy,0,-10.096,-7.52,-2.19,-9.232060607611237
CSc1sc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2F)nc1C,C66254560_decoy,PA2GA,Decoy,0,-11.0433,-8.51,-3.27,-8.899877727373624
Cc1cnc(-c2cccc([N-]S(=O)(=O)c3cccc(S(N)(=O)=O)c3)c2)o1,C66814779_decoy,PA2GA,Decoy,0,-10.4989,-5.62,-2.23,-6.13333425952657
CS(=O)(=O)[N-]c1ccc(O)c(C(=O)NCc2ccc3c(c2)OCCCO3)c1,C67180158_decoy,PA2GA,Decoy,0,-10.9912,-9.08,-1.4,-11.71762536109658
C=CCn1c([S-])nc2cc(C(=O)NNC(=O)c3cccc(C)c3)ccc2c1=O,C67189847_decoy,PA2GA,Decoy,0,-10.9908,-6.03,-1.55,-7.164225426682636
CCNC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)oc2c1,C67244335_decoy,PA2GA,Decoy,0,-9.40267,-7.58,-1.33,-7.723097265535829
CC(C)[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccccc1Br)C(=O)[O-],C02918105_decoy,PA2GA,Decoy,0,-11.775,-6.88,-3.67,-9.997883864476108
COc1ccc2c(C)c(CCC(=O)N[C@@H](Cc3ccc(O)cc3)C(=O)[O-])c(=O)oc2c1C,C02105349_decoy,PA2GA,Decoy,0,-10.7626,-8.12,-1.17,-12.504477611534975
O=C([O-])CNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1ccccc1Br,C09057042_decoy,PA2GA,Decoy,0,-11.0572,-8.32,-1.81,-11.362815007371085
O=C(CN1C(=O)S/C(=C/c2ccccc2Cl)C1=O)Nc1ccc(O)cc1C(=O)[O-],C09429803_decoy,PA2GA,Decoy,0,-10.0574,-8.98,-1.93,-14.589575641459511
O=C(CN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)c(C(=O)[O-])c1,C01839984_decoy,PA2GA,Decoy,0,-13.3027,-6.84,-5.5,-2.982318018939191
C[C@H](NC(=O)c1ccc(N[C@H](C)c2ccc3ccccc3c2)c([N+](=O)[O-])c1)C(=O)[O-],C13037208_decoy,PA2GA,Decoy,0,-9.93571,-9.12,-4.18,-7.569374223438371
Nn1c(SCC(=O)N2CCC(C(=O)[O-])CC2)nnc1-c1ccc(Cl)cc1,C13218286_decoy,PA2GA,Decoy,0,-10.5089,-9.67,-1.27,-8.646167844506175
Cc1cc(C(C)(C)C)cc(C)c1CNC(=O)N[C@H](CC(=O)N1CCOCC1)C(=O)[O-],C13243236_decoy,PA2GA,Decoy,0,-10.1662,-8.78,-1.49,-11.519499264519368
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1ccc2c(c1)C[C@H](c1ccccc1)OC2=O,C13260041_decoy,PA2GA,Decoy,0,-11.5388,-9.54,-3.26,-9.349959066870888
Cc1ccc(C)c(-n2cnnc2Sc2ccc(S(N)(=O)=O)cc2C(=O)[O-])c1,C13273264_decoy,PA2GA,Decoy,0,-12.6073,-8.05,-1.31,-12.191222186356994
Cn1cc(Cl)cc1C(=O)NNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1,C13278531_decoy,PA2GA,Decoy,0,-12.2801,-9.07,-1.5,-9.487662175618365
C[C@H]1CCc2sc(C(=O)Nc3ccc(S(=O)(=O)NCC(=O)[O-])cc3)cc2C1,C13393563_decoy,PA2GA,Decoy,0,-13.6403,-7.33,-2.03,-9.923061739752642
O=C([O-])CNS(=O)(=O)c1ccc(NC(=O)c2ccc(OC(F)(F)F)cc2)cc1,C13394043_decoy,PA2GA,Decoy,0,-11.2722,-7.6,-2.34,-9.496839658331124
O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(O)cc1C(=O)[O-],C16922293_decoy,PA2GA,Decoy,0,-8.67019,-8.06,-1.23,-7.550783854205442
O=C(C[C@H]1SC(=O)N(c2ccc(F)cc2)C1=O)Nc1ccc(C(=O)[O-])c(O)c1,C16925078_decoy,PA2GA,Decoy,0,-11.1755,-8.1,-3.18,-9.684440038191948
Cc1ccc(C(=O)[O-])c(NC(=O)C[C@H]2SC(=O)N(c3ccc(O)cc3)C2=O)c1,C16926126_decoy,PA2GA,Decoy,0,-10.2887,-9.49,-2.02,-8.789838911272673
COC(=O)c1ccsc1NC(=O)c1ccsc1NC(=O)[C@H]1CCCC[C@@H]1C(=O)[O-],C17100255_decoy,PA2GA,Decoy,0,-9.82188,-7.82,-1.54,-9.085998524869748
COc1cc(/C=C/C(=O)N[C@@H]2C(=O)N3[C@H]2SC(C)(C)[C@H]3C(=O)[O-])ccc1O,C17255090_decoy,PA2GA,Decoy,0,-10.8464,-7.02,-2.56,-6.515396536824676
[H]/[S+]=c1\nc([O-])c(C2=[NH+]c3ccccc3S[C@H](c3ccc([O-])cc3)C2)c([O-])n1CCCC,C20899302_decoy,PA2GA,Decoy,0,-11.479,-6.17,-3.67,-6.687155623768999
CC(=O)Nc1ccc([C@@H](O)/C(=N\N(C)C)c2nc3ccc(Cl)cc3nc2[O-])cc1,C25585009_decoy,PA2GA,Decoy,0,-9.24842,-8.26,-1.5,-6.965421897587648
CC(=O)NCCc1c(/C=C2/C(=O)N=C([O-])N(c3ccccc3)C2=O)[nH]c2ccccc12,C36496278_decoy,PA2GA,Decoy,0,-10.2438,-6.98,-1.5,-6.256596179657663
CC(C)C[C@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1)C(=O)[O-],C12473675_decoy,PA2GA,Decoy,0,-9.42216,-7.97,-0.93,-8.977375387340173
CCOc1ccc2c(c1)S[C@@H](NS(=O)(=O)c1ccc3nc([O-])oc3c1)N2,C38797272_decoy,PA2GA,Decoy,0,-12.2947,-5.12,-2.2,-6.256521782584358
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NNC(=O)[C@@H]2C=C(Br)C=N2)c1C,C39631199_decoy,PA2GA,Decoy,0,-10.5357,-8.35,-1.23,-9.4240958431531
Nc1ccc(Sc2ccc([N-]S(=O)(=O)[C@@H]3CCS(=O)(=O)C3)cc2)cc1,C40166394_decoy,PA2GA,Decoy,0,-10.9511,-9.18,-2.33,-8.391323394917682
C[C@@]12C=CC(=O)C=C1CC[C@H]1[C@H]2[C@@H](O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)CSCC(=O)[O-],C43743360_decoy,PA2GA,Decoy,0,-10.425,-7.28,-1.75,-7.014105031509774
C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)NCC(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@]21C,C43746896_decoy,PA2GA,Decoy,0,-10.9277,-7.44,-2.5,-7.06099878615891
O=C([O-])CCNC(=O)CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S,C15038398_decoy,PA2GA,Decoy,0,-10.4629,-6.37,-3.09,-8.36579750649734
COc1cc([C@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(Cl)cc4)c32)cc(OC)c1O,C49548292_decoy,PA2GA,Decoy,0,-9.9536,-6.96,-3.57,-7.335249549946862
C/C(=N\N=C1/NC(=O)C[C@H](C(=O)Nc2ccc(C(=O)[O-])cc2)S1)c1cccs1,C09554012_decoy,PA2GA,Decoy,0,-10.4317,-5.62,-1.73,-6.311446267043519
CCCCNC(=O)[C@@H]1CCCN(C(=O)c2cc([N-]S(C)(=O)=O)ccc2O)C1,C51444920_decoy,PA2GA,Decoy,0,-10.1814,-7.6,-3.31,-9.19582178735916
Cc1nc(NC(=O)CNC(=O)c2ccsc2)sc1-c1nnc([S-])n1C,C55189112_decoy,PA2GA,Decoy,0,-11.6053,-7.36,-5.41,-7.625832685179213
CC[C@H](C)N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N[C@@H]2CCC(=O)[O-])C(=O)Nc2c1ccc(C)c2C,C43730164_decoy,PA2GA,Decoy,0,-9.00771,-6.72,-1.18,-6.627351526696571
NC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(Cl)s2)CC1,C57566387_decoy,PA2GA,Decoy,0,-10.7986,-9.17,-0.52,-9.55951734676135
[H]/N=C1\S[C@H](C(=O)Nc2cccc(C(=O)[O-])c2)CC(=O)N1/N=C/c1ccccc1F,C58837424_decoy,PA2GA,Decoy,0,-12.257,-8.1,-1.87,-7.81716204532349
O=C(C1=C([O-])C(=O)N(CCO)[C@H]1c1cccc(O)c1)c1ccc(Br)cc1,C15919935_decoy,PA2GA,Decoy,0,-10.9394,-8.81,-4.69,-9.868891574963165
CS(=O)(=O)[N-]c1ccc(-c2csc(NC(=O)c3ccc4nc[nH]c4c3)n2)cc1,C12559098_decoy,PA2GA,Decoy,0,-9.52793,-8.54,-3.76,-7.312219898527709
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2-n2cccn2)c(F)c1,C60442910_decoy,PA2GA,Decoy,0,-10.2577,-8.47,-1.8,-10.774042097428234
CCSc1ccccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F,C60443521_decoy,PA2GA,Decoy,0,-10.9062,-8.15,-2.64,-10.690661260862372
CS(=O)(=O)[N-]c1ccccc1CNC(=O)NCCCN1CCCCCC1=O,C48002739_decoy,PA2GA,Decoy,0,-10.1769,-8.22,-0.53,-8.827664045528925
O=C(Nc1ccc(C(=O)NC2CC2)cc1)c1cccc(-n2nc([O-])ccc2=O)c1,C61374246_decoy,PA2GA,Decoy,0,-9.05251,-6.97,-0.89,-6.517461729306508
CC/C(NNC(=O)c1ccccc1)=C1\C(=O)N(c2ccccc2C)C(=O)N=C1[O-],C17014510_decoy,PA2GA,Decoy,0,-9.6945,-10.12,-0.61,-11.667581503824264
CS(=O)(=O)[N-]c1ccc(F)cc1C(=O)Nc1ccc(C(=O)NC2CC2)cc1,C63722374_decoy,PA2GA,Decoy,0,-9.50059,-7.42,-1.89,-6.797490078658969
COCCCN1C(=O)/C(=C2/C[C@H](c3ccc(Cl)cc3Cl)NN2)C(=O)N=C1[O-],C09058784_decoy,PA2GA,Decoy,0,-10.9983,-8.26,-1.39,-12.103551253950874
CC(C)N/C([O-])=C(\C#N)C(=O)c1cccc(N2NC(=O)[C@@H]3CC=CC[C@H]3C2=O)c1,C65651179_decoy,PA2GA,Decoy,0,-9.52766,-8.84,-1.66,-7.748995355901261
O=C(CNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)cc2)c1)NC1CC1,C06989615_decoy,PA2GA,Decoy,0,-10.5476,-8.91,-2.74,-8.673500565428409
O=C(NCc1ncn[nH]1)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1,C66456745_decoy,PA2GA,Decoy,0,-11.2238,-5.38,-1.87,-6.031982130758713
NC(=O)C1CCN(C(=O)c2ccccc2[N-]S(=O)(=O)C2CCCCC2)CC1,C66580120_decoy,PA2GA,Decoy,0,-10.076,-8.8,-2.41,-9.102964136314622
CC(C)CCC(=O)NNC(=O)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1,C66790822_decoy,PA2GA,Decoy,0,-10.3635,-7.28,-1.49,-11.140822957701092
NS(=O)(=O)c1cccc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)c1,C67124843_decoy,PA2GA,Decoy,0,-9.13195,-6.65,-1.53,-6.031138942221588
O=C([O-])CCNC(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3c(c1)OCO3)N2,C04623653_decoy,PA2GA,Decoy,0,-11.005,-8.43,-1.33,-8.791203565723782
C[C@H](C(=O)Nc1ccc(O)cc1C(=O)[O-])N1C(=O)/C(=C\c2ccccc2F)SC1=S,C09429652_decoy,PA2GA,Decoy,0,-10.738,-8.19,-1.97,-7.460890251383273
CC(C)[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccccc1Br)C(=O)[O-],C12382008_decoy,PA2GA,Decoy,0,-9.96588,-8.43,-1.54,-15.005616902919073
C[C@]12CCC(=O)C=C1CC[C@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)C(=O)CSCC(=O)[O-],C12873853_decoy,PA2GA,Decoy,0,-12.6025,-7.28,-1.64,-8.13880558269597
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CSCC(=O)[O-],C12873871_decoy,PA2GA,Decoy,0,-12.5333,-8.33,-2.06,-10.638334684951907
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)ccc1F,C13031386_decoy,PA2GA,Decoy,0,-8.93876,-8.79,-3.33,-8.43781957171905
CCCNC(=O)[C@@H](C)NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1,C13198496_decoy,PA2GA,Decoy,0,-9.84946,-7.46,-1.57,-8.455718888050935
NC(=O)[C@H]1CCCCN1C(=O)CSc1ncc(C(=O)[O-])n1-c1ccc(F)cc1,C13218781_decoy,PA2GA,Decoy,0,-8.91177,-8.0,-2.03,-8.416113443686838
O=C(CC1(C(=O)[O-])CCCC1)Nc1cccc(S(=O)(=O)NCc2ccco2)c1,C13250396_decoy,PA2GA,Decoy,0,-11.6984,-7.22,-3.11,-8.55582343257328
COC[C@@H](C)NS(=O)(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1,C13253943_decoy,PA2GA,Decoy,0,-12.028,-7.0,-2.0,-8.351865544273272
Cn1cc(Cl)cc1C(=O)NNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1,C13278526_decoy,PA2GA,Decoy,0,-10.7047,-9.26,-2.41,-10.51130339201112
O=C([O-])c1csc(S(=O)(=O)NNC(=O)c2ccccc2Br)c1,C13299867_decoy,PA2GA,Decoy,0,-10.4466,-9.46,-0.71,-13.153404643842828
Cc1occc1C(=O)NNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1,C13346796_decoy,PA2GA,Decoy,0,-8.84873,-8.29,-1.85,-8.891102927728681
O=C([O-])CCNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(F)c2F)cc1,C13360288_decoy,PA2GA,Decoy,0,-11.6354,-7.71,-4.44,-8.954086327231279
O=C([O-])CNS(=O)(=O)c1ccc(NC(=O)c2c(Cl)ccc(Cl)c2Cl)cc1,C13394248_decoy,PA2GA,Decoy,0,-13.0659,-7.84,-2.72,-8.759220566070011
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCCC2)ccc1O,C13469996_decoy,PA2GA,Decoy,0,-12.4167,-9.01,-2.27,-12.668186671766406
O=C(CN1C(=O)/C(=C\c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1C(=O)[O-],C13575712_decoy,PA2GA,Decoy,0,-12.5445,-8.91,-2.14,-12.338376874838708
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@@]2(C)[C@H]1CC[C@]2(O)COC(=O)CCC(=O)[O-],C15231020_decoy,PA2GA,Decoy,0,-12.5055,-8.56,-2.11,-13.848790463437831
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2[C@H](C(=O)[O-])[C@@H]3CC[C@H]2O3)sc2c1CCC2,C17091462_decoy,PA2GA,Decoy,0,-10.8128,-5.79,-1.45,-7.566415501997408
O=C(N/C([S-])=N\NS(=O)(=O)c1ccc(Cl)cc1)c1cc2ccccc2oc1=O,C03669168_decoy,PA2GA,Decoy,0,-11.3141,-10.1,-3.17,-9.104727135487328
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)c(C(=O)Nc3ccccc3)s2)cc1,C06269190_decoy,PA2GA,Decoy,0,-11.4074,-9.45,-1.31,-10.62872148785996
C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)N1C(=O)/C(=C\c2ccco2)SC1=S,C09253289_decoy,PA2GA,Decoy,0,-10.4144,-8.98,-2.65,-11.911562553288151
O=C(CN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(O)c(C(=O)[O-])c1,C05348669_decoy,PA2GA,Decoy,0,-9.44567,-8.62,-0.84,-10.031133043843305
O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc(C(=O)[O-])c(O)c1,C05345492_decoy,PA2GA,Decoy,0,-10.6566,-9.03,-2.03,-11.434494518987051
O=C(CN1C(=O)/C(=C\c2ccco2)SC1=S)Nc1ccc(O)cc1C(=O)[O-],C05345820_decoy,PA2GA,Decoy,0,-9.92656,-8.2,-2.41,-10.351517192760223
CC(C)C[C@@H](NC(=O)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1)C(=O)[O-],C12473668_decoy,PA2GA,Decoy,0,-11.5837,-8.0,-1.81,-12.616265060964375
NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1,C06352488_decoy,PA2GA,Decoy,0,-11.7954,-8.86,-1.6,-9.408681181365903
C[C@H](S[C@@H]1[N-]C(Cl)=NC2=NC=N[C@@H]21)C(=O)NCCc1c[nH]c2ccc(F)cc12,C39040726_decoy,PA2GA,Decoy,0,-11.8656,-7.48,-3.23,-11.145989276613156
CC1(C)CC2=C3C(=O)N=C([N-]NC(=S)Nc4ccccc4)N=C3S[C@@H]2CO1,C39143156_decoy,PA2GA,Decoy,0,-13.2734,-8.84,-1.26,-9.31764565268094
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@@H]2c2ccc(O)cc2)cc1,C40079231_decoy,PA2GA,Decoy,0,-9.14395,-8.32,-1.21,-9.41174361668764
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCO)[C@H]3c3ccc(O)cc3)ccc2O1,C40095330_decoy,PA2GA,Decoy,0,-11.2487,-6.64,-1.43,-7.102939111067204
O=C1NC(=O)[C@@H]2[C@H]1[C@H](c1ccc(/C=C/c3ccccc3)cc1)N[C@]2(Cc1ccccc1)C(=O)[O-],C33574659_decoy,PA2GA,Decoy,0,-12.0949,-7.81,-1.59,-7.224245267170703
Cc1ccc(-c2n[nH]c(/N=C(\[O-])c3cccc(NC(=O)[C@@H]4CCCO4)c3)n2)s1,C50006635_decoy,PA2GA,Decoy,0,-12.3554,-8.18,-0.77,-9.369013792871405
C[C@@H](NC(=O)c1ccoc1)/C([O-])=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1,C50982069_decoy,PA2GA,Decoy,0,-10.474,-7.59,-2.28,-9.2522567141087
CC(C)N/C([O-])=C(\C#N)C(=O)CN1C(=O)NC2(CCC(C(C)(C)C)CC2)C1=O,C50983360_decoy,PA2GA,Decoy,0,-9.95823,-6.75,-1.33,-7.7366948295265585
CCCCNC(=O)[C@H]1CCCN(C(=O)c2cc([N-]S(C)(=O)=O)ccc2O)C1,C51444922_decoy,PA2GA,Decoy,0,-10.6963,-7.75,-0.56,-10.123594242270142
COc1ccc(S(=O)(=O)[N-]c2cc(F)ccc2F)cc1[C@]1(C)NC(=O)NC1=O,C45774718_decoy,PA2GA,Decoy,0,-9.70728,-6.27,-1.31,-6.337866501710501
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=C/c3ccc(O)c(O)c3)cc2)n1,C59466627_decoy,PA2GA,Decoy,0,-10.7739,-8.21,-4.14,-6.992815211314024
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc(-n3cccn3)c2)c(F)c1,C60443049_decoy,PA2GA,Decoy,0,-10.6415,-8.5,-2.21,-7.938926334798286
O=C(NNC(=O)c1nn(-c2ccccc2C(F)(F)F)cc1[O-])c1ccccn1,C17329338_decoy,PA2GA,Decoy,0,-12.2202,-8.96,-3.17,-9.996583197561774
CSCC[C@H](NC(=O)c1ccccc1Cl)C(=O)Nc1cccc(-c2nnn[n-]2)c1,C12698765_decoy,PA2GA,Decoy,0,-11.4722,-7.54,-2.26,-9.815298452975163
O=C(N/N=C1/C(O)=Nc2ccc(F)cc21)c1ccc([N-]S(=O)(=O)c2cccs2)cc1,C09738274_decoy,PA2GA,Decoy,0,-11.7583,-8.51,-1.67,-8.929874610297135
CC[C@H](C)N1C(=O)[C@@H]2[C@H](CCC(=O)[O-])N[C@@]3(C(=O)Nc4ccc(Cl)cc43)[C@@H]2C1=O,C35375370_decoy,PA2GA,Decoy,0,-10.5231,-7.03,-0.87,-10.725975555160298
NC(=O)c1ccc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1,C64557875_decoy,PA2GA,Decoy,0,-9.18991,-9.06,-1.8,-8.499171603235672
N#Cc1ccc([N-]S(=O)(=O)C2=CN=C([C@@H]3NN[C@@H](c4ccccc4)O3)C2)cc1,C64924176_decoy,PA2GA,Decoy,0,-11.089,-9.13,-2.06,-8.635088169181474
Cc1csc(-c2cc(S(=O)(=O)[N-]c3ccc(S(N)(=O)=O)cc3)c(C)n2C)n1,C65008994_decoy,PA2GA,Decoy,0,-11.2236,-9.38,-1.22,-9.066069747510449
O=C(Nc1ccn(CCc2ccccn2)n1)c1ccc2c([O-])[nH]c(=S)nc2c1,C51416920_decoy,PA2GA,Decoy,0,-11.9392,-6.07,-2.46,-6.786765952866422
Cc1ccc(C(=O)NCc2nc(-c3cccs3)n[nH]2)cc1[N-]S(C)(=O)=O,C66427443_decoy,PA2GA,Decoy,0,-10.8882,-7.66,-2.88,-8.685990505105476
CCS(=O)(=O)[N-]c1ccc(S(=O)(=O)NNC(=O)CCC(C)C)c(C)c1,C66589347_decoy,PA2GA,Decoy,0,-9.24844,-9.36,-1.64,-9.127934093102668
CS[C@@H](C)c1cccc([N-]S(=O)(=O)c2ccc3[nH]c(=O)c(=O)[nH]c3c2)c1,C67244690_decoy,PA2GA,Decoy,0,-10.4565,-8.47,-1.14,-9.06468752219335
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@@H](C)C(=O)Nc2cc(C)ccc2C)cc1,C07361538_decoy,PA2GA,Decoy,0,-9.16212,-8.72,-3.63,-8.740986792483042
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2cc(C)ccc2C)cc1,C07361541_decoy,PA2GA,Decoy,0,-9.28726,-9.53,-3.37,-8.380419421739406
Cc1ccc(C(=O)COC(=O)c2cccc(NC(=O)c3cc(=O)[nH]c4ccccc34)c2)cc1,C08411751_decoy,PA2GA,Decoy,0,-9.7378,-9.04,-2.62,-9.531781712332284
Cc1ccc(C(=O)N[C@H](C)c2nnc(SCC(=O)Nc3ccc(Cl)cc3)n2C)cc1,C01145541_decoy,PA2GA,Decoy,0,-11.8752,-9.69,-2.58,-15.265444514674988
CCc1ccc(S(=O)(=O)c2cnc(SCC(=O)Nc3ccc(C)cc3)[nH]c2=O)cc1,C09939080_decoy,PA2GA,Decoy,0,-10.2715,-8.55,-4.01,-9.701586878186326
CCOC(=O)C1=C(CS(=O)(=O)c2ccc(C)c(C)c2)NC(=O)N[C@H]1c1ccc(C)cc1,C09969283_decoy,PA2GA,Decoy,0,-9.7899,-7.01,-3.11,-7.792170204601239
CCNC(=O)NC(=O)CSc1nc2sc3c(c2c(=O)n1CCC(C)C)CCCC3,C03532429_decoy,PA2GA,Decoy,0,-12.0321,-7.44,-2.65,-10.773894780842804
COC(=O)C1=C(CS(=O)(=O)c2ccc(C(C)(C)C)cc2)NC(=O)N[C@H]1c1ccccc1,C10273332_decoy,PA2GA,Decoy,0,-9.61396,-7.35,-4.37,-7.433682435149256
C=CCn1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)nc2sc(CC)cc2c1=O,C10418465_decoy,PA2GA,Decoy,0,-11.997,-6.36,-1.18,-7.163985715592313
CCOC(=O)c1c(NC(=O)/C(C#N)=C\c2ccc(OC)c(O)c2)sc2c1CC[C@@H](C)C2,C11689771_decoy,PA2GA,Decoy,0,-12.2902,-8.75,-1.93,-10.570531068675
CCC[C@H]1C[C@H]1C(=O)NCc1nc(-c2ccc(NC(=O)c3cccnc3)cc2)oc1C,C12157421_decoy,PA2GA,Decoy,0,-9.79245,-8.52,-2.18,-8.356927585244936
CC1(C)CC(=O)C(C(=O)CCCN2C(=O)c3ccccc3C2=O)=C(Nc2ccccc2O)C1,C12402110_decoy,PA2GA,Decoy,0,-10.6616,-9.66,-3.97,-9.412067248387771
Cc1ccc(NC(=O)CN(C)C(=O)c2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1,C12584720_decoy,PA2GA,Decoy,0,-9.35239,-8.31,-4.06,-7.751499028756068
CCS(=O)(=O)Nc1ccccc1-c1nc(CNC(=O)c2cccc(C)c2C)c(C)o1,C11790067_decoy,PA2GA,Decoy,0,-9.76197,-7.8,-2.84,-7.629833551111952
COc1ccc(NC(=O)c2ccc(NS(=O)(=O)c3ccc(F)cc3C)cc2)cc1OC,C09467584_decoy,PA2GA,Decoy,0,-10.6885,-8.51,-2.25,-7.611388268204041
Cc1c(NC(=S)NC(=O)c2ccc(OC(C)C)c(Br)c2)cccc1[N+](=O)[O-],C14659410_decoy,PA2GA,Decoy,0,-9.99538,-7.57,-1.61,-8.1344994849778
COc1cc(C(=O)NNC(=O)c2cc3c(s2)CC[C@H](C(C)(C)C)C3)cc(OC)c1OC,C14800107_decoy,PA2GA,Decoy,0,-11.3085,-6.23,-1.29,-7.157064933482608
COc1ccc(-c2n[nH]cc2/C=C(\C#N)C(=O)N[C@H](C)c2ccc(C)c(C)c2)cc1OC,C17096959_decoy,PA2GA,Decoy,0,-9.6985,-7.97,-1.46,-9.037940670869991
CC1(C)Cc2c(C#N)c(Nc3ccccc3)nc(NCCCN3CCOCC3)c2CO1,C20590909_decoy,PA2GA,Decoy,0,-10.2563,-7.7,-0.79,-8.212586367051282
CCN(CC)c1ccc(C(F)(F)F)cc1NC(=O)CN1C(=O)N[C@@]2(CCCC[C@H]2C)C1=O,C23299994_decoy,PA2GA,Decoy,0,-9.44464,-9.38,-1.66,-9.126691183207829
C=Cc1ccc(S(=O)(=O)Nc2ccccc2C(=O)NCc2ccc3c(c2)OCO3)cc1,C23432596_decoy,PA2GA,Decoy,0,-8.98068,-8.45,-2.21,-9.342437752579611
CCOc1cc2c(cc1/C=C/C(=O)Nc1ccc(C(=O)Nc3nccs3)cc1)O[C@H](C)C2,C24914441_decoy,PA2GA,Decoy,0,-10.9694,-9.51,-3.51,-8.73076288496615
COC(=O)c1ccc(C)c(S(=O)(=O)NNC(=O)CC23CC4CC(CC(C4)C2)C3)c1,C28197689_decoy,PA2GA,Decoy,0,-9.5731,-8.85,-2.67,-8.946379193928232
CC(C)C(=O)Nc1cccc(NC(=O)C2CCN(S(=O)(=O)/C=C/c3ccccc3)CC2)c1,C31919247_decoy,PA2GA,Decoy,0,-10.9071,-8.9,-3.98,-8.495519682516004
CC(C)CC(=O)Nc1ccc(-c2csc(NC(=O)[C@@H]3CC(=O)N(C4CCCC4)C3)n2)cc1,C32738397_decoy,PA2GA,Decoy,0,-11.3057,-9.24,-1.82,-7.773828343883562
Cc1ccc([C@@H](C)NC(=O)CCCc2nc(-c3cc4ccc(C)cc4[nH]c3=O)no2)cc1,C33013720_decoy,PA2GA,Decoy,0,-8.84037,-9.55,-2.15,-7.893393040117883
CCCCC(=O)N1CCN(C(=O)[C@H](NC(=O)Nc2ccc(C)cc2)C(C)C)C[C@H]1C,C34975437_decoy,PA2GA,Decoy,0,-9.16916,-8.43,-3.31,-9.299891924712725
CCN1C(=O)N[C@@H](c2ccc(C)cc2C)C2=C1CN([C@H](C(=O)NCC(C)C)C(C)C)C2=O,C35966247_decoy,PA2GA,Decoy,0,-8.59368,-7.27,,99.0
CCOC(=O)C1=C(CSc2nc(-c3cccs3)nc3ccccc23)NC(=O)NC1,C36774413_decoy,PA2GA,Decoy,0,-11.0992,-4.92,-1.22,-5.854150947563944
COC(=O)c1cc2c(N)c(C(=O)c3ccc(Cl)cc3)sc2nc1C(OC)OC,C01031899_decoy,PA2GA,Decoy,0,-9.57168,-7.84,-1.44,-8.420712771831148
CCc1ccc(O[C@H](C)C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)[C@H]3c2ccco2)cc1,C38657550_decoy,PA2GA,Decoy,0,-10.2724,-9.11,-1.76,-8.787540389984052
CC(C)C[C@H]1N=N[C@@H](NC(=O)[C@@H]2CC(=O)N(CCc3c[nH]c4ccc(Cl)cc34)C2)S1,C39252073_decoy,PA2GA,Decoy,0,-12.6179,-8.2,-1.58,-9.47308228038467
Cc1cccc(N(C)c2cc(Nc3cccc(C(=O)NC[C@@H]4CCCO4)c3)ncn2)c1,C39300882_decoy,PA2GA,Decoy,0,-9.70724,-8.99,-1.49,-8.705042788913296
CC(=O)Nc1ccc(NC(=O)C[C@H]2C(=O)N(C)C(=S)N2CCC2=CCCCC2)cc1,C39425766_decoy,PA2GA,Decoy,0,-9.14376,-7.03,-2.97,-7.214397916491084
CC(C)NC(=O)N1CCC(C(=O)OCC(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)CC1,C32933322_decoy,PA2GA,Decoy,0,-9.75567,-7.91,-1.24,-7.779125804155866
CCOc1cccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCOC)c1,C39911635_decoy,PA2GA,Decoy,0,-10.8069,-8.74,-1.57,-11.556326579982182
O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC=CC[C@H]1c1nc2ccccc2s1,C46568122_decoy,PA2GA,Decoy,0,-7.92385,-7.76,-1.71,-6.843886226552223
O=C(NCCNc1ccccc1[N+](=O)[O-])[C@H]1CC=CC[C@@H]1c1nc2ccccc2s1,C46568124_decoy,PA2GA,Decoy,0,-9.79521,-9.04,-2.79,-9.597908972675656
C[C@H](NC(=O)CCN1C(=O)c2ccccc2C1=O)c1cccc(NC(=O)c2ccccc2)c1,C46758183_decoy,PA2GA,Decoy,0,-8.54862,-9.14,-1.96,-9.516049604909249
COC(=O)CNC(=O)c1ccc(NS(=O)(=O)c2cc(C(C)(C)C)ccc2C)cc1,C15789675_decoy,PA2GA,Decoy,0,-10.6105,-7.41,-1.89,-9.19474539021295
Cc1sc(NC(=O)C(C)(C)C)c(C(=O)O[C@H](C)C(=O)NC2(C#N)CCCCC2)c1C,C17133824_decoy,PA2GA,Decoy,0,-11.1985,-8.65,-1.35,-9.772100658025032
COC(=O)c1ccc(N2CCCC2)c(NC(=O)NCCc2csc(C(C)C)n2)c1,C58326546_decoy,PA2GA,Decoy,0,-10.5877,-7.05,-1.52,-11.146341753866915
CC(=O)Nc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc2)cc1,C58563949_decoy,PA2GA,Decoy,0,-10.0771,-7.72,-4.83,-6.212191957567093
CCCC(=O)Nc1ccc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCCC3)cc2)cc1,C59132622_decoy,PA2GA,Decoy,0,-9.90681,-7.6,-3.97,-6.7406398768530025
CC(C)C(=O)Nc1ccc(C(=O)Nc2nnc(COc3ccc(Cl)cc3)s2)cc1,C59132795_decoy,PA2GA,Decoy,0,-11.4308,-9.46,-1.49,-8.785503542261088
Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)Oc3ccc(C(N)=O)cc3)cc2)cc1,C25974414_decoy,PA2GA,Decoy,0,-9.53092,-8.29,-2.24,-8.747563086236454
Cc1nc(N(C)C)cc(Nc2ccc([N-]S(=O)(=O)c3ccccc3C(F)(F)F)cc2)[nH+]1,C33326848_decoy,PA2GA,Decoy,0,-9.30403,-8.17,-3.29,-8.271261443221695
Cc1ccc(CNC(=O)CS[C@H]2N=NC(=O)[C@@H]3C=C(c4ccc(C(C)C)cc4)NN23)cc1,C64701300_decoy,PA2GA,Decoy,0,-11.9835,-9.02,-1.69,-9.053490962192386
O=C(CSc1ccc(NCc2ccc(Cl)cc2)nn1)Nc1ccc2c(c1)OCO2,C64945065_decoy,PA2GA,Decoy,0,-11.275,-9.56,-1.62,-10.32002000491218
Cc1ccc(NC(=O)Cn2c(=O)c(CCC(=O)NC3CCCC3)nc3ccccc32)cc1,C65101523_decoy,PA2GA,Decoy,0,-9.04841,-10.05,-3.75,-10.165595141216947
O=C(Nc1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1Cl)C1CCCCC1,C04810048_decoy,PA2GA,Decoy,0,-10.0999,-8.53,-1.43,-7.381178503550234
O=C(Nc1cc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)ccc1Cl)c1cccs1,C05102578_decoy,PA2GA,Decoy,0,-10.2265,-6.59,-1.72,-6.423750371552479
CC(C)(C)[C@@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H]4CC[C@@H](C4)[C@@H]3C(=O)[O-])csc2C1,C06363902_decoy,PA2GA,Decoy,0,-13.5304,-8.81,-2.68,-13.146523440383994
CC(=O)Nc1ccc(Nc2cnn(C34C[C@@H]5CC(C[C@@H](C5)C3)[C@@H]4C(=O)[O-])c(=O)c2Cl)cc1,C09238227_decoy,PA2GA,Decoy,0,-12.6632,-8.55,-1.84,-8.66966887107614
CCN1C(=O)c2cccc3c(S(=O)(=O)Nc4ccc(C(=O)[O-])c(O)c4)ccc1c23,C11615721_decoy,PA2GA,Decoy,0,-11.1501,-9.04,-1.85,-9.235201723899008
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NNC(=O)c2cc3c(s2)CC[C@H](C)C3)c1C,C13079138_decoy,PA2GA,Decoy,0,-11.6923,-10.77,-1.26,-13.528814783625712
O=C([O-])c1cc(S(=O)(=O)Nc2cccc(C3SCCCS3)c2)ccc1O,C13196433_decoy,PA2GA,Decoy,0,-10.9093,-4.86,-1.37,-5.867778286288526
O=C([O-])c1cc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)c(Cl)cc1Cl,C13265073_decoy,PA2GA,Decoy,0,-11.3747,-8.65,,99.0
O=C([O-])c1cc(O)ccc1NS(=O)(=O)c1cc(C(F)(F)F)ccc1Cl,C13464001_decoy,PA2GA,Decoy,0,-12.186,-10.3,-2.19,-13.871304368997553
O=C([O-])c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(F)(F)F)c2)cc1O,C13464473_decoy,PA2GA,Decoy,0,-10.0057,-5.34,-2.89,-7.043423263516879
O=C(Nc1ccc(Br)cc1C(=O)[O-])c1cccc(NC(=O)C2CC2)c1,C13955217_decoy,PA2GA,Decoy,0,-8.97522,-9.02,-2.0,-9.238107176790184
COc1cc([C@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(F)cc2)cc(OC)c1O,C15082783_decoy,PA2GA,Decoy,0,-9.65244,-5.53,-1.41,-6.100424435004897
O=C(NC(=S)Nc1ccc(Br)cc1C(=O)[O-])c1cc2ccccc2o1,C16525726_decoy,PA2GA,Decoy,0,-9.37703,-6.17,-2.72,-6.069115206373311
Cc1sc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C,C17087440_decoy,PA2GA,Decoy,0,-11.8512,-9.1,-1.48,-11.319623065343972
CC(C)(C)[C@H]1CCc2c(C(=O)NNC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)csc2C1,C17090752_decoy,PA2GA,Decoy,0,-12.5075,-8.27,-0.93,-12.393187646164266
O=C(Nc1ccc(Cl)cc1)c1ccsc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C17090900_decoy,PA2GA,Decoy,0,-12.0731,-8.8,-0.76,-22.831202613863777
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CC[C@@H](C)C3)[C@@H](C(=O)[O-])C1,C17097104_decoy,PA2GA,Decoy,0,-11.0571,-8.37,-2.45,-9.769985001840698
CC1=C(C)C[C@H](C(=O)Nc2sc3c(c2C(=O)NC2CC2)CC[C@H](C)C3)[C@@H](C(=O)[O-])C1,C17097105_decoy,PA2GA,Decoy,0,-11.545,-6.27,-1.75,-6.555256986382727
C=CCn1c([S-])nc2cc(C(=O)NNC(=O)c3cc4c(s3)CCCCC4)ccc2c1=O,C21970941_decoy,PA2GA,Decoy,0,-11.6869,-9.04,-1.54,-9.397129183740804
O=C(NC(=S)Nc1cc(Cl)c([O-])c(Cl)c1)c1ccc(Cl)c([N+](=O)[O-])c1,C32118628_decoy,PA2GA,Decoy,0,-8.19368,-8.4,-1.72,-6.690057113940743
O=C(Nc1ccccc1O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1,C32904343_decoy,PA2GA,Decoy,0,-11.0587,-8.21,-3.68,-9.761134542961203
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC3CCCCC3)cc2)nc(C)n1,C06213887_decoy,PA2GA,Decoy,0,-11.5876,-8.0,-5.38,-10.22079680339416
O=c1[nH][nH]c(-c2ccccc2[O-])c1[C@@H](C[N+](=O)[O-])c1ccc(Cl)cc1Cl,C04649876_decoy,PA2GA,Decoy,0,-10.3123,-7.81,-2.14,-9.619718948910748
O=S(=O)([O-])c1ccc2c(/N=N/c3ccc(Nc4ccccc4)cc3)c(O)ccc2c1,C38171513_decoy,PA2GA,Decoy,0,-11.8267,-10.8,-2.8,-13.271877614697116
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCC2,C17097116_decoy,PA2GA,Decoy,0,-9.67194,-6.84,-1.88,-6.58210176790196
O=C(NC1CCCC1)c1c(NC(=O)[C@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CCC2,C17097114_decoy,PA2GA,Decoy,0,-12.1316,-6.64,-2.22,-7.062274939709248
Cc1ccc2c(c1)/C(=N/NC(=O)c1ccc([N-]S(=O)(=O)c3cccs3)cc1)C(O)=N2,C13598436_decoy,PA2GA,Decoy,0,-10.8646,-8.79,-2.37,-9.3540632525762
O=C1c2n[nH]c(-c3cc(Cl)ccc3[O-])c2[C@H](c2ccc(Cl)cc2)N1CCCO,C39898026_decoy,PA2GA,Decoy,0,-10.8929,-7.43,-1.51,-8.178015295221178
NC(=O)c1ccc(-c2ccc(Oc3cncc4sc(-c5nnn[n-]5)cc34)cc2)cc1,C40950733_decoy,PA2GA,Decoy,0,-10.1532,-8.73,-2.74,-7.7051872473791425
CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1cccc2nsnc12,C47383576_decoy,PA2GA,Decoy,0,-11.032,-8.33,,99.0
CC[C@H]1Nc2cc[nH]c(=O)c2N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1,C52584272_decoy,PA2GA,Decoy,0,-10.2072,-9.92,-2.93,-8.94033850897803
COc1cc([C@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)nc([O-])c32)ccc1O,C13567304_decoy,PA2GA,Decoy,0,-10.8966,-7.12,-0.64,-6.760893100406054
COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)nc([O-])c32)ccc1O,C13567303_decoy,PA2GA,Decoy,0,-11.6859,-7.28,-1.44,-7.188528471277606
CC(C)(C)c1ccc(NC(=O)CSc2nc3[nH]c(=O)cc([O-])c3s2)cc1,C04945370_decoy,PA2GA,Decoy,0,-11.1069,-7.31,-1.69,-8.623300167521908
CC(C)(C)c1ccc(NC(=O)CSc2sc3c([O-])cc(=O)[nH]c3c2C#N)cc1,C04945438_decoy,PA2GA,Decoy,0,-11.1331,-6.93,-2.07,-6.876609527631735
CC(C)(C)NC(=O)CNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1,C15175681_decoy,PA2GA,Decoy,0,-10.1617,-6.57,-1.42,-7.10580199225712
Cc1cc(S(=O)(=O)[N-]c2cccc(NC(=O)Nc3ccccc3)c2)c(C)s1,C23399800_decoy,PA2GA,Decoy,0,-9.60005,-9.39,-3.21,-8.273051398902378
CS(=O)(=O)[N-]c1ccc(-c2csc(NC(=O)c3cc4cc(Cl)ccc4[nH]3)n2)cc1,C58647849_decoy,PA2GA,Decoy,0,-12.044,-9.86,-3.27,-8.143615710104028
Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3ccc(Cl)nn3)cc2)cc1,C59192276_decoy,PA2GA,Decoy,0,-12.4129,-7.74,-1.65,-10.983375000360482
Cc1ccc(NC(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)cc1,C59266208_decoy,PA2GA,Decoy,0,-9.3509,-8.71,-2.89,-7.987237352167334
O=C(NC(=S)Nc1cc(C(=O)[O-])c(Cl)cc1Cl)c1cc2ccccc2o1,C20152370_decoy,PA2GA,Decoy,0,-9.97797,-7.91,-2.48,-7.420914086488458
O=C([O-])c1cc(N2C(=O)C[C@@H](Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)ccc1O,C16901922_decoy,PA2GA,Decoy,0,-10.6247,-7.36,-2.6,-6.526715535635375
Cc1ccccc1Oc1ccccc1[N-]S(=O)(=O)c1ccc2[nH]c(=O)[nH]c2c1,C62192706_decoy,PA2GA,Decoy,0,-9.75333,-8.56,-1.69,-8.646764537823147
C[C@H](CS(=O)(=O)[N-]c1cccc(F)c1)C(=O)NCc1c[nH]c2ccccc12,C62212375_decoy,PA2GA,Decoy,0,-10.3641,-8.01,-1.93,-9.121974256355967
O=C(NCCc1ccco1)Nc1ccc(I)cc1C(=O)[O-],C62824805_decoy,PA2GA,Decoy,0,-9.5907,-6.16,-1.69,-7.533202652616238
CC[C@@H]1C(/C([O-])=N/c2nc(-c3ccc(OC)cc3)n[nH]2)=CNN1c1ccc(C)cc1,C39781424_decoy,PA2GA,Decoy,0,-9.628,-7.15,-2.13,-5.727745831127695
COc1cc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc(OC)c1O,C64796074_decoy,PA2GA,Decoy,0,-10.3228,-8.13,-1.49,-7.805156812972471
O=C(Nc1ccc2cn[nH]c2c1)c1ccc([N-]S(=O)(=O)C2CCCCC2)cc1,C66584938_decoy,PA2GA,Decoy,0,-11.7246,-8.56,-2.1,-8.674151206715715
CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cc(Cl)sc2Cl)c1,C67124428_decoy,PA2GA,Decoy,0,-9.78107,-8.04,-3.31,-8.729822940909132
CS(=O)(=O)[N-]c1ccc(O)c(C(=O)NCc2ccccc2N2CCCC2)c1,C67138680_decoy,PA2GA,Decoy,0,-10.9685,-8.91,-0.64,-13.198638476949576
O=C(NNC(=S)NC1CCCCC1)c1ccc(Br)cc1,C00951643_decoy,PA2GA,Decoy,0,-9.74789,-7.43,-0.68,-8.326374976545344
Cc1ccc(C)c(NC(=S)NCCc2cc3ccc(C)c(C)c3[nH]c2=O)c1,C04225415_decoy,PA2GA,Decoy,0,-10.1894,-9.17,-1.48,-9.817603420915235
O=C(c1ccccc1)[C@H]1[C@@H](c2ccccc2)NC(=S)N[C@@]1(O)C(F)(F)F,C05242211_decoy,PA2GA,Decoy,0,-10.4709,-8.2,-1.35,-10.405094285055078
Nc1ccc(S(=O)(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,C01042266_decoy,PA2GA,Decoy,0,-10.7707,-8.29,-0.84,-9.038639885136428
C/C(NCCNc1c(F)c(F)c(CO)c(F)c1F)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C,C04955756_decoy,PA2GA,Decoy,0,-10.7989,-7.07,-2.18,-6.9365274486939965
NC(=S)c1ccc(CS(=O)(=O)Nc2ccc(Br)cc2)cc1,C21807975_decoy,PA2GA,Decoy,0,-9.71319,-5.36,-1.93,-5.896599051276151
CNS(=O)(=O)c1ccc(Sc2cc(Cl)ccc2Cl)c(N)c1,C35340346_decoy,PA2GA,Decoy,0,-10.1698,-4.71,-1.03,-6.036396748555653
[NH3+]CCc1ccc(S(=O)(=O)[N-]c2c(Cl)cc(Cl)cc2Cl)s1,C35679434_decoy,PA2GA,Decoy,0,-11.6215,-6.86,-1.38,-8.677925447326775
CSc1cccc(NS(=O)(=O)c2c(N)cc(Cl)cc2Cl)c1,C37053682_decoy,PA2GA,Decoy,0,-9.86494,-4.78,-1.75,-6.510202672625947
Cc1ccc(S(N)(=O)=O)cc1N[C@@H](C)c1cccc(Br)c1,C37135443_decoy,PA2GA,Decoy,0,-8.56716,-8.99,-2.0,-12.063398124422008
Cc1ccc(CNc2ccc(S(N)(=O)=O)cc2Br)c(C)c1,C37137893_decoy,PA2GA,Decoy,0,-8.75129,-7.51,-1.67,-6.560673767646507
C[C@H](Nc1ccc(S(N)(=O)=O)cc1Br)c1cccc(F)c1,C37138064_decoy,PA2GA,Decoy,0,-9.04505,-5.14,-2.06,-4.806140748607667
C[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)c1cccc(N)c1,C37178366_decoy,PA2GA,Decoy,0,-11.7065,-7.47,-1.18,-10.95551226437816
Cc1ccc(N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(Br)c1,C37188916_decoy,PA2GA,Decoy,0,-9.35651,-7.68,-1.81,-8.778724335918115
CNC(=O)Nc1ccc(N[C@H](C)c2sccc2Br)cc1,C37317530_decoy,PA2GA,Decoy,0,-8.41113,-6.82,-1.71,-6.498894137648801
Cc1cccc([C@@H](C)Nc2ccc(S(N)(=O)=O)cc2Br)c1,C37317906_decoy,PA2GA,Decoy,0,-9.14803,-7.43,-1.11,-7.436067739985701
Cc1ccc(CNc2ccc(S(N)(=O)=O)cc2Br)cc1C,C37317909_decoy,PA2GA,Decoy,0,-9.31824,-8.41,-2.25,-13.02534566230224
CC1=C(C(=O)NC(C)(C)C)[C@H](c2ccc(C(F)(F)F)cc2)NC(=S)N1,C37399016_decoy,PA2GA,Decoy,0,-7.91109,-8.1,-1.76,-7.328644940927339
Cc1ccccc1NC(=S)NNC(=O)c1csc2c1CC[C@@H](C)C2,C08581802_decoy,PA2GA,Decoy,0,-9.67578,-8.83,-2.1,-7.942848035556627
CCOc1cc([C@H](CO)Nc2ccc(Br)cc2)ccc1O,C38117996_decoy,PA2GA,Decoy,0,-10.0856,-8.2,-1.28,-9.37632542291992
CSNC[C@@H](c1ccc(-c2ccccc2O)cc1)N1CCN[C@H](Cl)C1,C39534091_decoy,PA2GA,Decoy,0,-9.54948,-6.34,-1.58,-6.591454397812262
CCCc1ccc(S(=O)(=O)Nc2ccc(N)cc2Br)cc1,C40225501_decoy,PA2GA,Decoy,0,-7.13627,-7.44,-2.79,-7.105024952023686
CCCn1cc(N)cc1C(=O)N[C@@H](C)c1ccc(Br)cc1,C40311950_decoy,PA2GA,Decoy,0,-8.23445,-7.41,-1.52,-10.11417648654174
Nc1cc(Br)ccc1S(=O)(=O)NCCC1=CCCCC1,C40316639_decoy,PA2GA,Decoy,0,-9.70394,-8.93,-1.09,-15.026453900527866
Cc1c(N)cccc1S(=O)(=O)N[C@@H](C)c1ccccc1Br,C40316727_decoy,PA2GA,Decoy,0,-9.62685,-7.23,-2.14,-9.495642913928227
Cc1ccc(N)cc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1,C40324259_decoy,PA2GA,Decoy,0,-9.17101,-8.46,-2.0,-8.413034744885007
Cc1cc(N)ccc1S(=O)(=O)N[C@H](C)c1ccc(Br)cc1,C40324332_decoy,PA2GA,Decoy,0,-9.01759,-6.04,-1.43,-5.742092823377022
NC(=S)[C@H](NS(=O)(=O)c1cc(Cl)sc1Cl)C1CCCCC1,C40364979_decoy,PA2GA,Decoy,0,-11.5173,-7.16,-1.54,-12.947010862012016
C[C@@H](NS(=O)(=O)c1cc(N)cs1)c1ccc(Cl)cc1Cl,C41067828_decoy,PA2GA,Decoy,0,-9.4907,-7.07,-2.9,-7.69179912312454
Cc1cc(N)c(S(=O)(=O)NCc2ccc(Br)cc2)cc1C,C42371227_decoy,PA2GA,Decoy,0,-9.93149,-8.98,-0.94,-14.469014153083329
O=C(c1ccccc1)[C@@H]1[C@H](c2ccsc2)NC(=S)N[C@]1(O)C(F)(F)F,C42652391_decoy,PA2GA,Decoy,0,-8.9424,-7.64,-2.45,-8.173616973232116
C[C@H]1CCCC[C@H]1CNS(=O)(=O)c1c(Cl)cc(N)cc1Cl,C42858857_decoy,PA2GA,Decoy,0,-9.29732,-6.41,-3.43,-6.412586367612198
O[C@H](CCC1CCCCC1)/C(Br)=C\[C@@H]1[C@@H]2C[C@H](O)O[C@@H]2C[C@@H]1O,C44709683_decoy,PA2GA,Decoy,0,-10.5861,-6.66,-1.78,-7.907645897544705
O=C(NNC(=S)NC1CCCC1)c1cc(F)cc(Br)c1,C46570931_decoy,PA2GA,Decoy,0,-9.32778,-6.7,-1.24,-7.475219874117107
C[C@H](NS(=O)(=O)c1cc(Cl)ccc1N)c1ccc(Cl)s1,C49127126_decoy,PA2GA,Decoy,0,-9.67423,-8.03,-1.63,-9.036679120196998
Cc1ccc([C@H](C)NS(=O)(=O)c2c(Cl)cc(N)cc2Cl)s1,C49152168_decoy,PA2GA,Decoy,0,-9.55097,-7.47,-1.61,-8.767395700716222
Cc1cc(Br)ccc1C(=O)NNC(=S)NCC(F)(F)F,C49496806_decoy,PA2GA,Decoy,0,-8.71612,-7.68,,99.0
C[C@@H](NS(=O)(=O)c1cc(Br)ccc1N)c1ccc(F)cc1,C49504610_decoy,PA2GA,Decoy,0,-10.7857,-4.79,-1.37,-5.165653477165439
CC[C@@H](NS(=O)(=O)c1ccc(N)cc1Br)c1cccs1,C49528713_decoy,PA2GA,Decoy,0,-9.77739,-6.34,-2.06,-8.281995848290448
C[C@@H](C[C@H](O)c1cc2[nH]c(=O)[nH]c2cc1Br)CC(C)(C)C,C52094881_decoy,PA2GA,Decoy,0,-9.26878,-6.53,-1.36,-7.048829390788304
O=C(NCCc1ccccc1C(F)(F)F)N[C@@H]1c2ccccc2C[C@@H]1O,C57005846_decoy,PA2GA,Decoy,0,-9.84114,-6.83,-1.37,-6.334304407364902
C[C@@H](NC(=O)N[C@@H]1c2ccccc2C[C@@H]1O)c1ccccc1C(F)(F)F,C57006018_decoy,PA2GA,Decoy,0,-8.74792,-8.72,-2.04,-7.5063068113680975
O=C(NC[C@H](O)c1ccccc1F)Nc1ccc(Br)cc1,C58823575_decoy,PA2GA,Decoy,0,-9.50133,-7.95,-0.97,-9.342149041963449
CC[C@H](NS(=O)(=O)c1cc(Cl)cc(N)c1Br)C(C)C,C61882325_decoy,PA2GA,Decoy,0,-9.40499,-6.75,-1.78,-8.694324793187342
Nc1cc(Cl)cc(S(=O)(=O)NC(C2CC2)C2CC2)c1Br,C61882356_decoy,PA2GA,Decoy,0,-9.2729,-6.91,-2.54,-10.968124948014651
O=C(NNC(=S)Nc1ccc(F)cc1)c1cc(Br)ccc1F,C08347776_decoy,PA2GA,Decoy,0,-10.6871,-5.19,-2.46,-6.539270153799101
Cc1ccc(NC(=O)[C@H]2C[C@@H]2c2ccc(Br)cc2)cc1C(N)=O,C66440673_decoy,PA2GA,Decoy,0,-9.75306,-8.08,-1.83,-9.355560491893932
C/C(=C/C(=O)Nc1ccc(C)c(C(N)=O)c1)c1ccc(C(F)(F)F)cc1,C66440898_decoy,PA2GA,Decoy,0,-8.67873,-7.93,-2.45,-8.57315890283977
Cc1ccc(NC(=O)C2(c3ccc(Br)cc3)CCC2)cc1C(N)=O,C66441516_decoy,PA2GA,Decoy,0,-7.73278,-9.02,-1.75,-7.603506702501632
O=C(NC[C@H](O)c1ccccc1C(F)(F)F)N[C@H]1C[C@@H]1c1cccc(F)c1,C67564875_decoy,PA2GA,Decoy,0,-9.95495,-9.37,-1.52,-9.443284954476203
C[C@@H](Sc1ccc(C(C)(C)C)cc1)C(=O)Nc1ccc(S(N)(=O)=O)cc1,C05999519_decoy,PA2GA,Decoy,0,-12.4087,-8.66,-1.69,-12.398968412510936
O=C(CNC(=O)c1cccs1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12,C10696278_decoy,PA2GA,Decoy,0,-10.1257,-8.05,-2.22,-10.425499355389205
C=CCN/C(S)=N/N=C\c1cc(Br)c(O)c(Br)c1O,C12374177_decoy,PA2GA,Decoy,0,-10.6854,-6.41,-1.27,-7.5716137562919394
Cc1cc(C(C)(C)C)cc(C)c1CCNC(=O)CCc1c(C)[nH]c(=S)[nH]c1=O,C12599205_decoy,PA2GA,Decoy,0,-9.21046,-9.41,-2.03,-10.263366996888776
O=C(NC1CC1)c1cccc(N[C@H](C(=O)Nc2ccc(F)cc2)c2ccccc2)c1,C12788051_decoy,PA2GA,Decoy,0,-10.5253,-5.93,-0.86,-6.601556146678011
Cc1cccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)c1,C13936211_decoy,PA2GA,Decoy,0,-7.95438,-7.5,-1.31,-5.841369744371845
CCN(CC)c1ccc([C@@H]2Nc3ccc(S(N)(=O)=O)cc3[C@H]3C=CC[C@@H]32)cc1,C14461453_decoy,PA2GA,Decoy,0,-9.96512,-6.93,-2.71,-7.391537006373458
CC(C)C(=O)NC(=S)Nc1cccc(C(=O)Nc2cccc(C(F)(F)F)c2)c1,C14567718_decoy,PA2GA,Decoy,0,-9.93874,-8.28,-1.46,-9.156840422627203
C/C(=N/NC(=S)Nc1ccc(Cl)cc1)c1ccc(NC(=O)C(F)(F)F)cc1,C17090129_decoy,PA2GA,Decoy,0,-10.1586,-8.03,-0.6,-8.313172875476786
CCSC1=C(C#N)[C@H](c2cccs2)[C@@H](C(=O)Nc2ccccc2C)[C@@](C)(O)N1,C20814143_decoy,PA2GA,Decoy,0,-11.3641,-6.83,-1.87,-10.490215686846833
O=C(CCNC(=O)NC12CC3CC(CC(C3)C1)C2)N[C@H]1CCCc2ccccc21,C22407923_decoy,PA2GA,Decoy,0,-10.6377,-10.04,-1.99,-14.70531660674393
CC(=O)Nc1cc(NCC(=O)Nc2ccc(SC(F)F)cc2)ccc1F,C24361946_decoy,PA2GA,Decoy,0,-9.03894,-8.01,-1.82,-7.938871195061959
CC(=O)Nc1cc(N[C@@H](C)C(=O)Nc2cccc(Br)c2)ccc1F,C25047241_decoy,PA2GA,Decoy,0,-10.1596,-7.72,-1.8,-10.138755030388957
O=C(N[C@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)c1ccccc1,C28338455_decoy,PA2GA,Decoy,0,-10.6986,-7.28,-3.73,-8.22682952954091
CNC(=O)c1cccc(NC(=O)[C@H](C)Nc2ccc(Br)c(C)c2)c1,C29381149_decoy,PA2GA,Decoy,0,-8.4816,-7.43,-1.66,-6.325968810475885
NS(=O)(=O)c1ccc(CC(=O)NCCC23CC4CC(CC(C4)C2)C3)s1,C32672489_decoy,PA2GA,Decoy,0,-11.4144,-8.02,-2.47,-11.128039925310816
CC(C)NC(=O)Nc1ccc(CNC(=O)c2cccc(Br)c2)cc1,C36392569_decoy,PA2GA,Decoy,0,-8.87018,-7.92,-1.85,-8.470498238368135
CC12CC3(C)CC(C)(C1)CC(C(=O)NCCc1ccc(S(N)(=O)=O)cc1)(C2)C3,C05445956_decoy,PA2GA,Decoy,0,-10.2504,-7.8,-2.73,-7.668913520016136
CC(=O)N/C(=C/c1ccc(Cl)cc1)C(=O)NCCc1c[nH]c2ccccc12,C01741748_decoy,PA2GA,Decoy,0,-8.55372,-8.01,-1.22,-8.605157666903759
S=C(NNC(=S)N1CCN(c2ccccc2)CC1)Nc1ccc(Cl)cc1,C38225451_decoy,PA2GA,Decoy,0,-10.7317,-8.19,,99.0
CSc1c(-c2ccccc2O)ccc([C@H](CC=O)NC=O)c1-c1ccccc1O,C39495581_decoy,PA2GA,Decoy,0,-10.1506,-8.46,-1.6,-9.635032397408397
CCNS(=O)(=O)c1ccc(NC(=S)NC23CC4CC(CC(C4)C2)C3)cc1,C39974570_decoy,PA2GA,Decoy,0,-10.8644,-6.38,-1.95,-6.784989993663773
CCCNC(=O)[C@@H](C)NC(=O)Nc1ccc(I)cc1Cl,C44082499_decoy,PA2GA,Decoy,0,-9.09758,-6.85,-0.78,-8.373935847703903
CC(C)NC(=O)Nc1ccc(CNC(=O)c2ccc(Br)s2)cc1,C46595310_decoy,PA2GA,Decoy,0,-9.81989,-5.84,-3.25,-6.812808353477728
O=C(NC[C@H](O)c1cccc(Cl)c1)c1cccc(NC(=O)c2cccs2)c1,C46689272_decoy,PA2GA,Decoy,0,-11.3121,-8.28,-5.1,-7.984312549643834
Cc1ccc(C(=O)NC2CC2)cc1NC(=O)N[C@@H]1CCC[C@@H](C(F)(F)F)C1,C47988438_decoy,PA2GA,Decoy,0,-10.4449,-8.34,-1.02,-8.776151646656084
C=CCNC(=O)c1ccc(NC(=O)NCc2cc(Br)cs2)cc1,C48160987_decoy,PA2GA,Decoy,0,-9.43653,-7.53,-2.69,-7.352963918643282
CC(=CC(=O)Nc1ccc(CS(N)(=O)=O)cc1)C12CC3CC(CC(C3)C1)C2,C48326371_decoy,PA2GA,Decoy,0,-10.8644,-7.19,-3.94,-6.799905227172875
O=C(NCc1ccsc1)Nc1ccc(NC(=O)c2ccc(Cl)cc2)cc1,C54507272_decoy,PA2GA,Decoy,0,-9.42672,-5.41,-2.2,-5.04388411881665
CC(=O)Nc1ccc(C)c(NCC(=O)Nc2ccc(C)cc2Br)c1,C55841743_decoy,PA2GA,Decoy,0,-8.02656,-8.24,,99.0
C[C@H](NC(=O)CNc1ccc(C(=O)NC2CC2)c(Cl)c1)c1ccc(F)cc1,C55872971_decoy,PA2GA,Decoy,0,-10.3209,-7.72,-1.1,-10.844706716642255
Cc1cccc(NC(=O)C2CCC(CNC(=O)[C@H]3Cc4ccccc4CN3)CC2)c1,C16020185_decoy,PA2GA,Decoy,0,-10.9341,-9.82,-3.99,-7.979634892733315
CC(=O)Nc1cc(NCC(=O)Nc2ccc(Br)c(C)c2)ccc1F,C24362216_decoy,PA2GA,Decoy,0,-9.79429,-7.08,-4.32,-6.929691148581798
Cc1ccc(NCC(=O)NNC(=O)c2cc(Br)ccc2Cl)cc1,C58168770_decoy,PA2GA,Decoy,0,-9.82356,-6.93,-2.33,-8.390516688973477
O=C(NCCNc1ncccc1C(F)(F)F)c1[nH]c2ccccc2c1Cl,C58470780_decoy,PA2GA,Decoy,0,-10.0088,-8.86,-2.4,-8.807256659957522
O=C(NNC(=S)NCCc1cccs1)c1cc(Cl)cc2cccnc12,C58834732_decoy,PA2GA,Decoy,0,-10.999,-7.16,-0.97,-10.012187732995583
Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(-c3ccc(CO)o3)cc2)c1,C20152179_decoy,PA2GA,Decoy,0,-8.77021,-8.8,-2.77,-9.37875278151828
Cc1cc(S(N)(=O)=O)cc(NC(=O)CCCC[C@H]2CCSS2)c1C,C61509557_decoy,PA2GA,Decoy,0,-11.8758,-8.45,-0.4,-9.999240878264311
O=C(Nc1ccc(C(=O)NC2CC2)c(Cl)c1)NC1(c2ccccc2)CCC1,C62252124_decoy,PA2GA,Decoy,0,-10.2613,-6.92,-2.53,-7.13870256296911
O=C(C[NH2+]CC1CC1)Nc1c(Br)cc(Br)cc1C(=O)[O-],C62825391_decoy,PA2GA,Decoy,0,-8.07512,-6.83,-1.45,-7.650330172634272
N#C/C(=C/Nc1ccc(C(N)=O)cc1)c1nc(-c2ccc(Cl)cc2Cl)cs1,C09405008_decoy,PA2GA,Decoy,0,-10.389,-5.84,-4.27,-5.577236050374585
CC(=O)Nc1cc(C(=O)Nc2ccc(N[C@H](C)c3ccccc3)cc2)ccc1F,C64738379_decoy,PA2GA,Decoy,0,-9.43637,-9.19,-2.18,-7.901572531429558
CC(C)NC(=O)c1cccc(NCC(=O)Nc2cccc(Br)c2)c1,C55854048_decoy,PA2GA,Decoy,0,-8.36636,-7.07,-0.83,-7.208421842718484
CC(=O)Nc1cc(NC(=S)NC(=O)c2sc3ccccc3c2Cl)ccc1C,C66185193_decoy,PA2GA,Decoy,0,-10.6729,-9.12,-1.48,-11.707573727492848
CC(C)NC(=O)CCNC(=O)N[C@@H](c1ccc(Cl)cc1)c1ccsc1,C66348624_decoy,PA2GA,Decoy,0,-10.6514,-7.22,-1.7,-9.692403172184251
O=C(Nc1cccc(C(=O)Nc2cc(C(F)(F)F)ccc2F)c1)NC1CC1,C67046014_decoy,PA2GA,Decoy,0,-10.1659,-9.37,-1.65,-10.43049063975828
CC(C)C(=O)NCCNC(=O)NC(C)(C)Cc1ccc(Br)cc1,C67383599_decoy,PA2GA,Decoy,0,-9.79213,-8.22,-1.15,-14.464163757123616
O=C(NC[C@@H]1CCN(c2ccccc2)C1)NC[C@H](O)c1ccc2ccccc2c1,C67461035_decoy,PA2GA,Decoy,0,-12.6332,-10.07,-0.66,-10.482798611085386
O=C(NNC(=O)c1ccc(F)cc1)N[C@@H]1C[C@H]1c1cccc(C(F)(F)F)c1,C67568641_decoy,PA2GA,Decoy,0,-8.94875,-9.33,-1.74,-8.813248729803345
CC[C@H](NC(=O)Nc1ccc(NC(C)=O)cc1Cl)c1ccc(Cl)cc1,C67576933_decoy,PA2GA,Decoy,0,-9.01387,-8.91,-2.82,-11.33332500250937
Cc1ccc(C(=O)NC(=S)NNc2ncc(C(F)(F)F)cc2Cl)cc1,C04394795_decoy,PA2GA,Decoy,0,-10.5483,-9.04,-2.72,-9.940267393628824
Fc1nc(F)c(F)c(NNC(=S)Nc2ccc(OC(F)(F)F)cc2)c1F,C03771017_decoy,PA2GA,Decoy,0,-10.0867,-8.35,-4.48,-10.001956712773048
O=C1N[C@H](c2ccccc2)[C@@H](C(=O)c2ccccc2)[C@](O)(C(F)(F)C(F)F)N1,C05242265_decoy,PA2GA,Decoy,0,-6.84194,-7.62,-2.24,-7.181877495302034
CC(C)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1,C02780866_decoy,PA2GA,Decoy,0,-9.8429,-7.51,,99.0
Cc1ccc(S(=O)(=O)NNC(=S)Nc2ccc(Br)cc2)cc1,C06613772_decoy,PA2GA,Decoy,0,-11.2563,-9.78,,99.0
NC(=O)C1CCN(C(=O)c2ccccc2Nc2cccc(C(F)(F)F)c2)CC1,C08160059_decoy,PA2GA,Decoy,0,-9.93557,-9.0,-1.52,-10.38985157712668
CCCC(=O)NNC(=S)NC(=O)c1ccc(C)c(I)c1,C08568997_decoy,PA2GA,Decoy,0,-10.2956,-7.06,-1.7,-11.315967240022994
CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(O)cc1)N2,C13637395_decoy,PA2GA,Decoy,0,-10.2951,-5.9,-1.63,-5.936609181484594
CCN(CC)c1ccc([C@H]2Nc3ccc(S(N)(=O)=O)cc3[C@H]3C=CC[C@H]32)cc1,C14461450_decoy,PA2GA,Decoy,0,-10.0878,-9.09,-1.96,-8.10384383751139
Cc1ccc(NC(=S)NNC(=O)c2sc(-c3ccsc3)nc2C)cc1,C15427770_decoy,PA2GA,Decoy,0,-10.2331,-8.11,-1.64,-9.08628818073069
COC(=O)c1cc(C)sc1NC(=S)Nc1cc(Cl)c(O)c(Cl)c1,C17079876_decoy,PA2GA,Decoy,0,-10.4373,-7.01,-3.37,-12.172342551523744
O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(C(=O)NC2CCCCC2)cc1,C20058760_decoy,PA2GA,Decoy,0,-10.6825,-6.93,-3.52,-7.784997838082073
Cc1cccc(C(=O)NC(=S)Nc2ccc(C(=O)N[C@H](C)c3ccccc3)cc2)c1,C20119184_decoy,PA2GA,Decoy,0,-11.2448,-8.34,-4.53,-8.097228012430822
CC[C@@H](C)NC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(O)c(OC)c1)N2,C20693646_decoy,PA2GA,Decoy,0,-10.3753,-8.55,-0.75,-9.354066966908585
C[C@@H](Sc1ccc(Cl)cc1)C(=O)NNC(=O)c1cc(Br)c[nH]1,C24124223_decoy,PA2GA,Decoy,0,-10.8752,-7.82,-1.66,-10.166952976813915
Cc1ccc2cc(CN[C@H](C)c3ccc(S(N)(=O)=O)cc3)c(Cl)nc2c1C,C12684273_decoy,PA2GA,Decoy,0,-11.6585,-9.31,-3.96,-9.9141268085268
O=C(N[C@@H](NC(=S)Nc1ccccn1)C(Cl)(Cl)Cl)c1ccccc1,C28338462_decoy,PA2GA,Decoy,0,-10.7741,-6.67,-4.76,-9.333785295404745
CC(=O)Nc1cccc(NC(=O)[C@@H](C)Nc2ccc(Br)c(C)c2)c1,C29381054_decoy,PA2GA,Decoy,0,-9.84569,-8.29,-2.66,-9.482744006386168
Cc1ccc(NCC(=O)NNC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(C)c1,C18066145_decoy,PA2GA,Decoy,0,-9.66924,-9.33,-1.74,-14.332932287308124
NC(=O)CCNc1nc(CSc2ccc(Cl)cc2)nc2sc3c(c12)CCC3,C32932661_decoy,PA2GA,Decoy,0,-11.9178,-8.25,-2.88,-10.473727334886805
O=C(NC[C@H](c1cccs1)c1c[nH]c2ccccc12)c1cc(=O)[nH]c2ccccc12,C32960814_decoy,PA2GA,Decoy,0,-8.95802,-8.83,-3.09,-8.309259524474095
O=C(Nc1cccc(NC(=S)NC(=O)C2CCCCC2)c1)c1ccccc1,C13632606_decoy,PA2GA,Decoy,0,-10.5105,-9.96,-1.6,-16.23815748875291
CCOC(=O)[C@H]1[C@@H](c2ccc(Cl)cc2)NC(=S)N[C@]1(O)C(F)(F)F,C05600762_decoy,PA2GA,Decoy,0,-8.89564,-5.96,-4.78,-6.872329845650163
CC1=NN2[C@H]([N-][C@@H](c3ccccc3)[C@@H]2C[NH2+]CCc2c[nH]c3ccccc23)S1,C39330712_decoy,PA2GA,Decoy,0,-12.4819,-9.26,-1.53,-10.249622601970373
CC1(C)C[C@H](NC(=O)c2cccs2)[C@@]2(CCC(=O)NC3CC3)CC[C@](C)(O)C[C@@H]12,C20464645_decoy,PA2GA,Decoy,0,-10.962,-7.61,-0.98,-9.322513712144408
CC(=O)Nc1cccc([C@@H](C)NC(=O)Nc2c(C(C)C)cccc2C(C)C)c1,C40096273_decoy,PA2GA,Decoy,0,-9.01865,-9.73,-1.33,-12.62942057137588
Cc1ccc(S[C@@H](C)C(=O)N[C@H](C)c2ccc(S(N)(=O)=O)cc2)c(C)c1,C42187145_decoy,PA2GA,Decoy,0,-8.64028,-7.52,-3.56,-5.881017407273638
C[C@H](NC(=O)/C=C/c1ccccc1)C(=O)NNc1c(F)c(F)c(F)c(F)c1F,C42523208_decoy,PA2GA,Decoy,0,-12.5144,-9.15,-2.24,-9.270130129351331
Cc1ccc(SCC(=O)NNC(=O)N[C@@H]2CCC[C@@H](C(F)(F)F)C2)cc1,C45440188_decoy,PA2GA,Decoy,0,-12.1235,-8.77,-1.33,-13.265721151074828
C[C@@H](NC(=O)C1(NC(=O)NCc2ccccc2)CCCC1)c1ccc(F)cc1,C45873015_decoy,PA2GA,Decoy,0,-10.0491,-9.57,-0.91,-11.905508742978116
C[C@H](NC(=O)Nc1ccc(C(=O)NC2CC2)c(Cl)c1)c1ccc(F)cc1F,C47588578_decoy,PA2GA,Decoy,0,-9.5404,-8.21,-4.25,-7.091494380581488
NC(=O)c1cc(NC(=O)N(Cc2ccc(Cl)c(Cl)c2)C2CC2)ccc1F,C48077766_decoy,PA2GA,Decoy,0,-11.3759,-8.26,-1.55,-12.033825292592349
Cc1ccc(CNC(=O)Nc2cc(C(=O)NCC(F)(F)F)ccc2C)s1,C48373792_decoy,PA2GA,Decoy,0,-10.1445,-8.84,-0.72,-8.196628396039532
CC(=O)Nc1cccc([C@@H](C)NC(=O)NCCc2ccccc2C(F)(F)F)c1,C54650734_decoy,PA2GA,Decoy,0,-9.04241,-8.71,-3.3,-11.542316954003422
O=C(NCCNC(=O)c1ccc(Br)cc1)Nc1ccc(F)c(F)c1,C56541286_decoy,PA2GA,Decoy,0,-9.76742,-8.59,-2.72,-7.903418799441935
CC(=O)Nc1ccc(/C=N/NC(=S)Nc2cccc(C(F)(F)F)c2)cc1,C08125110_decoy,PA2GA,Decoy,0,-11.676,-6.91,-1.72,-7.462978133473966
CC[NH+](CC)c1ccc(NC(=O)CNC(=O)c2cccc(Br)c2)cc1,C16598687_decoy,PA2GA,Decoy,0,-9.12212,-6.74,-1.37,-7.980945105646588
CC(C)[NH+](Cc1ccccc1)[C@H](c1ccc(F)cc1)c1c([O-])[nH]c(=S)[nH]c1=O,C20156114_decoy,PA2GA,Decoy,0,-8.38127,-8.02,-1.49,-6.707471031638466
O=C(CNC(=O)NC1CC1)NCC1(c2cccc(C(F)(F)F)c2)CCCC1,C62512061_decoy,PA2GA,Decoy,0,-9.32969,-9.15,-1.02,-10.782244294835152
CC(=O)Nc1cc(NC(=O)NCCc2ccccc2C(F)(F)F)ccc1Cl,C63292909_decoy,PA2GA,Decoy,0,-8.64196,-8.74,-1.38,-8.102279085731036
CC(=O)Nc1ccc(C(F)(F)F)cc1NCC(=O)N[C@@H](C)c1ccc(F)cc1,C64398447_decoy,PA2GA,Decoy,0,-10.8704,-8.89,-1.89,-9.538136972562404
C[C@@H](NC(=O)C(=O)NNc1ccc(Cl)cc1Cl)c1ccc(F)cc1F,C64458261_decoy,PA2GA,Decoy,0,-9.79296,-8.45,-2.42,-8.356529618260744
O=C(CNC(=O)NCCc1ccccc1Br)Nc1cccc(F)c1,C51301386_decoy,PA2GA,Decoy,0,-9.00996,-7.64,-1.37,-10.145031345635411
O=C(Nc1ccc(Cl)c(C(=O)NC2CC2)c1)N[C@H]1C[C@H]1c1cccc(F)c1,C65413112_decoy,PA2GA,Decoy,0,-10.1075,-8.7,-0.88,-11.470639407936446
CC(C)(NC(=O)NCCC(=O)NC1CCCC1)c1ccc(Br)cc1,C54753096_decoy,PA2GA,Decoy,0,-9.00951,-8.72,-0.85,-10.292826093865594
O=C(Nc1ccccc1)c1cccc(NC(=S)NC(=O)c2ccccc2F)c1,C66197965_decoy,PA2GA,Decoy,0,-9.68234,-8.1,-2.13,-7.763827730251613
CC(=O)Nc1cc(NCC(=O)N[C@@H](C)c2ccc3ccccc3c2)c(F)cc1F,C66375627_decoy,PA2GA,Decoy,0,-10.5136,-8.19,-1.3,-11.891978114261144
C[C@H](NC(=O)NCCNC(=O)c1ccc(F)cc1)c1ccccc1C(F)(F)F,C66385844_decoy,PA2GA,Decoy,0,-9.8049,-9.09,-2.04,-9.23425970839832
Cc1cccc(NC(=S)NNC(=O)c2cnc(-c3cccs3)s2)c1C,C67149216_decoy,PA2GA,Decoy,0,-10.7579,-6.6,-4.47,-6.776609775613775
CC(C)(NC(=O)NCC(=O)NCC(F)(F)F)c1cccc(C(F)(F)F)c1,C67406101_decoy,PA2GA,Decoy,0,-9.36935,-8.46,-1.35,-11.142283981971696
O=C(N[C@H](N/C(S)=N\c1ccccc1C(=O)[O-])C(Cl)(Cl)Cl)c1cccc([N+](=O)[O-])c1,C08672739_decoy,PA2GA,Decoy,0,-11.3739,-7.89,-3.54,-8.312315126336982
O=C([O-])c1ccccc1/N=C(/S)N[C@@H](NC(=O)c1ccccc1[N+](=O)[O-])C(Cl)(Cl)Cl,C08672744_decoy,PA2GA,Decoy,0,-11.3818,-8.3,-2.31,-9.418322473584038
CCCNc1ccc(S(=O)(=O)N(CC)CC)cc1NS(=O)(=O)c1ccc(C)c(C(=O)[O-])c1,C10514199_decoy,PA2GA,Decoy,0,-11.6143,-8.24,-4.18,-11.851023541759378
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)NCC(C)(C)[C@@H](O)C(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@]12C,C12296652_decoy,PA2GA,Decoy,0,-13.0499,-9.51,-3.45,-12.598887348708304
C[C@]12CC[C@H]3[C@H](CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C12296999_decoy,PA2GA,Decoy,0,-11.4441,-8.01,-1.48,-7.07339688725628
CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(-c4ccc(F)cc4)coc3cc2oc1=O)C(=O)[O-],C02123479_decoy,PA2GA,Decoy,0,-13.4108,-6.5,-2.23,-8.953548454702506
C/C(=N\NC(=S)Nc1ccccc1C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1,C13058815_decoy,PA2GA,Decoy,0,-9.40981,-8.81,-3.61,-6.891394372690657
C/C(=N\NC(=S)Nc1ccc(C)cc1)c1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1,C13066512_decoy,PA2GA,Decoy,0,-12.4973,-7.73,-1.9,-8.053933653880092
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1C,C13184596_decoy,PA2GA,Decoy,0,-8.29422,-7.87,-2.18,-7.043030317540537
C[C@H](Nc1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1[N+](=O)[O-])c1ccc(F)c(F)c1,C13211865_decoy,PA2GA,Decoy,0,-9.68859,-6.32,-3.51,-5.373825438133779
CC(=O)NCCc1ccc(-c2csc(NS(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)n2)s1,C13239825_decoy,PA2GA,Decoy,0,-12.0742,-8.95,-4.49,-10.155379711618616
CC(=O)Nc1cccc(NC(=O)CSc2nnc(-c3cccs3)n2[C@@H](C(=O)[O-])C(C)C)c1,C13271457_decoy,PA2GA,Decoy,0,-13.0863,-7.95,-1.35,-10.39283857610686
CC(C)[C@@H](C(=O)[O-])n1c(SCC(=O)NC(=O)N[C@@H]2CCCC[C@@H]2C)nnc1-c1cccs1,C13271914_decoy,PA2GA,Decoy,0,-12.2479,-8.66,-1.61,-12.062016767602191
CNC(=O)c1ccc(NC(=O)CSc2nnc(-c3cccs3)n2[C@H](C(=O)[O-])C(C)C)cc1,C13272076_decoy,PA2GA,Decoy,0,-11.9092,-8.21,-2.25,-9.144361258807768
COc1ccc(NS(=O)(=O)c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)cc1,C13300004_decoy,PA2GA,Decoy,0,-10.3896,-8.26,-1.87,-11.9807882008419
C=CCn1c(S[C@H](C)C(=O)Nc2ccc(NC(C)=O)cc2)nc2cc(C(=O)[O-])ccc2c1=O,C13363239_decoy,PA2GA,Decoy,0,-10.1601,-7.04,-1.87,-8.286677910978035
N#Cc1ccc(-c2ccc(OCC(=O)NNS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)cc2)cc1,C13367802_decoy,PA2GA,Decoy,0,-11.0721,-9.88,-2.37,-14.420449038102053
CCc1c(C)sc2nc(C3CC3)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c3ccc(F)cc3)c12,C13888864_decoy,PA2GA,Decoy,0,-12.5208,-7.93,-2.53,-12.207554667674447
CCOC(=O)C(=CNNC(=O)[C@]1(C(=O)[O-])CC=C(C)C[C@@H]1c1ccc(Br)cc1)C(=O)OCC,C15230718_decoy,PA2GA,Decoy,0,-10.7813,-6.81,-3.4,-7.612080754177281
O=C(NCCC[C@@H](NC(=O)Nc1ccc(Cl)c(Cl)c1)C(=O)[O-])Nc1ccc(Cl)c(Cl)c1,C16385443_decoy,PA2GA,Decoy,0,-11.6785,-9.64,-2.45,-11.02953743728877
CCCc1cc([O-])nc(SCC(=O)NCCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])n1,C20595820_decoy,PA2GA,Decoy,0,-12.2893,-7.47,-1.07,-11.20614210066082
Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cc(Cl)cc(Cl)c3[O-])n2)cc1,C21079715_decoy,PA2GA,Decoy,0,-12.99,-8.58,-1.22,-12.528061741579116
O=C(CCSc1n[nH]c(N/N=C/c2cc(Cl)cc(Cl)c2[O-])n1)Nc1cccc(Cl)c1,C21079727_decoy,PA2GA,Decoy,0,-12.3267,-8.94,-1.21,-13.567103314950732
Cc1ccc(NC(=O)CCSc2n[nH]c(N/N=C/c3cc(Cl)cc(Cl)c3[O-])n2)c(C)c1,C21079753_decoy,PA2GA,Decoy,0,-13.2365,-9.16,-2.4,-13.41797482192621
Cc1ccc(CNC(=O)CSc2nnc(N/N=C/c3cc(Cl)cc(Cl)c3[O-])n2N)cc1,C21318606_decoy,PA2GA,Decoy,0,-13.1957,-8.84,-2.04,-9.40478191269885
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)NCC(C)(C)[C@H](O)C(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@@]21C,C36369743_decoy,PA2GA,Decoy,0,-10.5143,-7.79,-2.77,-7.012356322933633
CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccccc1O,C36530142_decoy,PA2GA,Decoy,0,-9.42728,-8.36,-1.69,-10.300928575693687
COC(=O)[C@@H]1C([O-])=NC(SCC(=O)Nc2ccc(NC(C)=O)cc2)=C(C#N)[C@@H]1c1ccc(Cl)cc1,C02309740_decoy,PA2GA,Decoy,0,-13.2732,-8.33,-3.41,-12.156026884894455
CC(NCCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O,C33851866_decoy,PA2GA,Decoy,0,-12.4523,-10.38,-4.41,-12.63196273518866
Cc1cc(Cl)ccc1NC(=O)/C(CC(=O)C[C@@H](c1ccccc1)c1c([O-])oc2ccccc2c1=O)=N\O,C16958205_decoy,PA2GA,Decoy,0,-12.539,-7.84,-3.32,-9.75375011224528
Cc1cc(Cl)ccc1NC(=O)/C(CC(=O)C[C@H](c1ccccc1)c1c([O-])oc2ccccc2c1=O)=N\O,C17216802_decoy,PA2GA,Decoy,0,-11.9517,-7.73,-1.9,-9.700460313531975
CC(C)NC(=O)NC(=O)[C@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1,C24223264_decoy,PA2GA,Decoy,0,-10.4833,-8.44,-1.34,-11.818543710875169
COc1ccc([C@@H](NC(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@@H](C)O)C(C)C)cc1,C13052573_decoy,PA2GA,Decoy,0,-10.4464,-7.97,-3.83,-9.381619827974651
O=C([O-])c1ccc(NC(=S)N[C@H](NC(=O)c2ccc(Cl)cc2)C(Cl)(Cl)Cl)cc1,C03142349_decoy,PA2GA,Decoy,0,-9.85738,-5.42,-2.21,-6.051665884168538
COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCO)ccc1OCc1ccccc1,C39898072_decoy,PA2GA,Decoy,0,-13.4255,-8.3,-2.91,-11.163376207276626
C[C@@]12C=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c3ccccc3)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O,C43743692_decoy,PA2GA,Decoy,0,-11.5648,-9.71,-2.02,-8.730232191489684
C[C@@]12CC[C@H]3[C@@H](CCC4=C/C(=N\OCC(=O)NC[C@@H](CC(=O)[O-])c5ccccc5)CC[C@]43C)[C@@H]1CC[C@@H]2O,C43746952_decoy,PA2GA,Decoy,0,-12.7597,-8.19,-2.07,-8.829284033072222
O=C(N[C@H](Cc1cc([N+](=O)[O-])c(F)cc1O)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44323553_decoy,PA2GA,Decoy,0,-11.3336,-9.12,-2.93,-11.054186396732922
Cc1ccc(Nc2nnc(SCC(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])s2)c(C)c1,C13416810_decoy,PA2GA,Decoy,0,-11.7954,-9.74,-2.12,-9.26176306105134
CCc1ccccc1Nc1nnc(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])s1,C13406489_decoy,PA2GA,Decoy,0,-11.4212,-8.83,-2.46,-9.20976647992508
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)c2c[nH]c3ccccc23)cc1,C13197502_decoy,PA2GA,Decoy,0,-10.1179,-8.02,-3.07,-12.81050474673898
Cc1ccccc1NC(=S)NNC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1,C46772497_decoy,PA2GA,Decoy,0,-11.2531,-9.49,-3.1,-10.467833366276349
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cc(F)ccc1F)C(=O)NC(=O)NC1CC1,C28807389_decoy,PA2GA,Decoy,0,-11.2086,-9.37,-4.54,-13.532521513309826
O=C([O-])C[C@@H](CNC(=O)c1cccc(NC(=O)c2ccccc2Br)c1)c1ccc(Cl)cc1,C58863041_decoy,PA2GA,Decoy,0,-12.3555,-7.07,-2.19,-8.698748124248464
O=C(NCCNc1ccccc1[N+](=O)[O-])c1cccc([N-]S(=O)(=O)c2cccs2)c1,C59289915_decoy,PA2GA,Decoy,0,-8.52111,-8.92,-1.55,-7.296080485035909
CCOc1ccc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(NC(C)=O)cc3)N=C3CCCC([O-])=C32)cc1,C02310213_decoy,PA2GA,Decoy,0,-10.2015,-8.74,-1.09,-8.476779991741962
CCc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CC(=O)NC(C)C)CC3)c(C(=O)[O-])c2)cc1,C33253152_decoy,PA2GA,Decoy,0,-12.0086,-6.99,-2.28,-7.561847743488133
CC(C)(C)NC(=O)CN1CCN(/C(=N\c2cccc(C(=O)[O-])c2)NC[C@H]2CCCO2)CC1,C46022192_decoy,PA2GA,Decoy,0,-11.3376,-7.06,-1.65,-9.22661623056602
C=C(C)[C@@H]1CCC(C)=C[C@H]1c1c(O)cc(CCCCC)cc1O[C@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O,C65735129_decoy,PA2GA,Decoy,0,-11.2892,-8.91,-3.55,-11.503593892921335
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)O[C@@H]2O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]2O)C(C)(C)CCC1,C65748653_decoy,PA2GA,Decoy,0,-9.35496,-7.89,-2.22,-6.83468674936292
CC(C)c1ccc(/C=C/C(=O)NC(=S)Nc2ccc(C(=O)[O-])c(Cl)c2)cc1,C01160123_decoy,PA2GA,Decoy,0,-11.0306,-7.28,-2.8,-8.510923344540132
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)[O-])c1,C08820412_decoy,PA2GA,Decoy,0,-10.9716,-8.41,-1.73,-9.27608906560872
Cc1cc(C)c(S(=O)(=O)Nc2cc(S[C@H](C)C(=O)[O-])c(O)c3ccccc23)c(C)c1,C08870722_decoy,PA2GA,Decoy,0,-11.2577,-9.43,-2.94,-11.356588176860638
Cc1cc(C)c(S(=O)(=O)Nc2cc(S[C@@H](C)C(=O)[O-])c(O)c3ccccc23)cc1C,C08870729_decoy,PA2GA,Decoy,0,-12.2625,-9.91,-1.7,-11.716070894761096
Cc1ccc(-c2ccc(C(=O)NC(=S)Nc3ccc(Cl)c(C(=O)[O-])c3)o2)cc1Cl,C09428564_decoy,PA2GA,Decoy,0,-11.1147,-6.73,-1.86,-6.6464151048584
Cc1ccc(C(=O)[O-])cc1S(=O)(=O)NNC(=O)c1cc2c(s1)CC[C@@H](C(C)(C)C)C2,C13029335_decoy,PA2GA,Decoy,0,-10.5832,-10.64,-0.51,-10.488181925666018
O=C([O-])c1cccnc1Nc1cccc(S(=O)(=O)Nc2ccc(SC(F)F)cc2)c1,C13090515_decoy,PA2GA,Decoy,0,-11.7551,-9.49,-2.57,-11.379450524516104
O=C(CSc1nnc(Nc2cccc(F)c2)s1)Nc1cc(F)ccc1C(=O)[O-],C13245959_decoy,PA2GA,Decoy,0,-11.1341,-8.1,-1.83,-8.51518342950525
Cc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])ccc2Cl)c(C)c1,C13248976_decoy,PA2GA,Decoy,0,-11.1521,-9.47,-4.1,-8.379000130102007
CCCCNc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1,C13249978_decoy,PA2GA,Decoy,0,-11.1586,-7.0,-3.46,-9.244895847502429
O=C([O-])CNC(=O)c1ccc(NC(=O)c2ccc(SC(F)(F)F)cc2)cc1,C13258468_decoy,PA2GA,Decoy,0,-10.5478,-6.29,-3.95,-7.489017856909244
O=C([O-])/C=C/c1ccc(NC(=O)CSc2nnc(Nc3ccccc3Cl)s2)cc1,C13401267_decoy,PA2GA,Decoy,0,-13.0141,-8.71,-2.07,-10.446510526002184
O=C([O-])c1cc(S(=O)(=O)NCc2ccc(NC(=O)C3CC3)cc2)c(Cl)cc1Cl,C13454667_decoy,PA2GA,Decoy,0,-10.5885,-7.06,-5.25,-8.033221394123316
Cc1c(NC(=S)NC(=O)c2ccc(-c3cccc(Cl)c3Cl)o2)cccc1C(=O)[O-],C14269358_decoy,PA2GA,Decoy,0,-10.3048,-5.97,-2.0,-6.687411320468839
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CC2)C1,C17087455_decoy,PA2GA,Decoy,0,-11.5341,-7.15,-1.52,-8.90564113245857
CC(C)c1cc(C(=O)Nc2ccccc2)c(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])s1,C17089982_decoy,PA2GA,Decoy,0,-9.98692,-7.2,-2.22,-9.269887267479582
CCc1c(C)sc(NC(=O)[C@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(=O)NC1CCCC1,C17098101_decoy,PA2GA,Decoy,0,-12.1082,-7.97,-2.56,-13.576100020913874
CC[C@@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)Nc2ccc(Cl)cc2)C1,C17099309_decoy,PA2GA,Decoy,0,-11.1832,-7.92,-2.9,-11.756800965057884
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NCc2ccco2)C1,C19636272_decoy,PA2GA,Decoy,0,-10.7381,-9.04,-2.46,-10.254341609137894
CC[C@H]1CCc2c(sc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CCCC2)C1,C19641752_decoy,PA2GA,Decoy,0,-9.93253,-6.62,-4.75,-6.753092862529638
CC[C@H]1CCc2c(sc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])c2C(=O)NC2CCCC2)C1,C19641760_decoy,PA2GA,Decoy,0,-12.4366,-7.26,-2.83,-9.432669357289482
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1,C19645106_decoy,PA2GA,Decoy,0,-12.1347,-7.21,-1.08,-8.03904503458471
CC(C)NC(=O)c1c(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2,C19645142_decoy,PA2GA,Decoy,0,-12.7485,-7.64,-2.18,-9.371614183819297
CCNC(=O)[C@@H](C)NC(=O)c1cc(S(=O)(=O)[N-]c2ccc(C)c(Cl)c2)ccc1Cl,C24956833_decoy,PA2GA,Decoy,0,-12.1557,-8.19,-1.5,-10.16074323146078
CC(Cl)(Cl)[C@@H](NC(=O)c1ccc(F)cc1)N/C(=N/C#N)[N-]c1ccc(Cl)nc1,C28866415_decoy,PA2GA,Decoy,0,-10.5578,-8.01,-2.88,-9.0603486982787
O=C(Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1)c1cc(C2CC2)n[nH]1,C32776680_decoy,PA2GA,Decoy,0,-12.1118,-10.03,-3.34,-12.26786526117512
Cc1cc(N[C@H](CC(=O)c2c([O-])n(C)c3ccccc3c2=O)c2ccc(Cl)cc2)ccc1O,C03846538_decoy,PA2GA,Decoy,0,-10.6545,-7.25,-2.36,-7.289728758378551
O=C(NNC1=CC(=O)c2ccccc21)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1,C12600050_decoy,PA2GA,Decoy,0,-10.4611,-10.36,-2.35,-9.127758094634157
CC[C@H](C)N/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)NC)[C@H](c3ccccc3)N12,C35692579_decoy,PA2GA,Decoy,0,-6.7563,-7.76,-1.07,-5.391600595079917
CC(C)=C1[C@H]2CC[C@@H]1[C@H](C(=O)[O-])[C@@H]2C(=O)Nc1sccc1C(=O)NCc1ccco1,C35897908_decoy,PA2GA,Decoy,0,-11.9053,-8.6,-2.94,-9.067625076052844
O=C(Nc1ccc(CCO)cc1)c1ccc2nc([N-]S(=O)(=O)c3ccccc3)sc2c1,C13548863_decoy,PA2GA,Decoy,0,-11.6538,-8.43,-1.73,-10.85634016023436
O=C(N/[NH+]=C/c1ccccc1[O-])c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1,C06088334_decoy,PA2GA,Decoy,0,-10.4712,-9.11,-3.48,-9.761653592498837
C=CCn1c(CC2=CS[C@H](NC(=O)[C@H]3[C@@H](C=C(C)C)C3(C)C)[N-]2)n[nH]c1=S,C38798865_decoy,PA2GA,Decoy,0,-11.9915,-8.34,-3.49,-12.923068671781458
COCc1cc([O-])nc(SCC(=O)Nc2ccc([C@@H]3Nc4ccc(C)cc4S3)cc2)n1,C39434185_decoy,PA2GA,Decoy,0,-12.726,-9.27,-4.03,-8.884581252934883
COCc1cc([O-])nc(SCC(=O)Nc2ccc([C@H]3Nc4ccc(C)cc4S3)cc2)n1,C39434188_decoy,PA2GA,Decoy,0,-13.5436,-9.92,-1.94,-9.9922892550604
C=CCOc1ccc(Br)cc1[C@@H](C1=C(C)N=N[C@@H]1O)c1c(C)n[nH]c1[O-],C39715517_decoy,PA2GA,Decoy,0,-9.52003,-8.83,-1.81,-11.576875140882096
CCOc1cc([C@@H]2NC(=O)C([O-])=C2C(=O)c2cc(C)c(OCC(C)C)c(C)c2)ccc1O,C40124197_decoy,PA2GA,Decoy,0,-11.3627,-8.27,-1.1,-9.054405734929052
CC(C)(C)c1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCO)cc1,C39898044_decoy,PA2GA,Decoy,0,-10.7197,-7.5,-0.96,-9.446887790271749
O=C(N/N=C/c1c[nH]c2ccccc12)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1,C43190772_decoy,PA2GA,Decoy,0,-10.2175,-8.96,-1.66,-8.414411049280654
Cc1ccc(C(=O)/N=C(\[N-]CCc2c[nH]c3ccccc23)Nc2nc(C)cc(C)n2)cc1,C09971301_decoy,PA2GA,Decoy,0,-9.59692,-8.76,-0.84,-8.47525403826877
O=C(NCCc1c[nH]c2ccccc12)c1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)cc1,C15616316_decoy,PA2GA,Decoy,0,-10.6462,-7.59,-3.14,-9.116084737266908
CC(=O)c1c(C)[nH]c(C(=O)Nc2ccc(C)c(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1C,C57386805_decoy,PA2GA,Decoy,0,-9.49815,-8.8,-2.41,-7.80991917536974
Cc1ccc(NC(=O)c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2)c(O)c1,C17410484_decoy,PA2GA,Decoy,0,-11.2337,-6.6,-3.36,-6.861529359583699
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(C)cc3O)ccc2Cl)cc1,C17410461_decoy,PA2GA,Decoy,0,-11.8461,-9.79,-3.0,-9.782710694901994
O=C(NCCc1nc2ccccc2[nH]1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1,C12813404_decoy,PA2GA,Decoy,0,-9.87114,-8.86,-1.08,-10.108753529564602
N/C(=N\C1=NC(C(F)(F)F)(C(F)(F)F)N=C(c2ccccc2)O1)[N-]c1ccccc1,C20509844_decoy,PA2GA,Decoy,0,-8.68211,-10.85,-1.23,-8.025232566957868
C[C@@H](NC(=O)c1ccc([N-]S(C)(=O)=O)cc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1,C59887954_decoy,PA2GA,Decoy,0,-10.6277,-5.26,-3.9,-6.891722554101566
C[C@H](CCc1ccc(Br)cc1)NC(=O)c1cc([N-]S(C)(=O)=O)ccc1O,C59994880_decoy,PA2GA,Decoy,0,-11.0474,-8.92,-0.78,-12.199780358239655
CCc1cccc(C)c1[N-]S(=O)(=O)C1=CN=C([C@H]2NN[C@H](c3ccccc3)O2)C1,C64612808_decoy,PA2GA,Decoy,0,-12.5119,-10.26,-1.14,-10.56012409840292
Cc1ccc(CNc2nc3nc(CNc4ccc(Cl)cc4)cc([O-])n3n2)cc1,C65322928_decoy,PA2GA,Decoy,0,-9.39187,-9.64,-1.01,-8.118886889600322
NC(=O)c1ccc(NC(=O)COC(=O)/C(=C/c2cccs2)c2cccs2)cc1,C03249916_decoy,PA2GA,Decoy,0,-11.4103,-6.12,-3.1,-7.919424778652017
CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O,C04721310_decoy,PA2GA,Decoy,0,-11.4802,-9.24,-1.48,-14.02061959068925
CCOC(=O)N[C@@H](NC(=S)Nc1ccc(C(C)=O)cc1)C(Cl)(Cl)Cl,C02951878_decoy,PA2GA,Decoy,0,-10.4703,-5.87,-2.52,-7.917114676367442
C[C@H](Sc1nnc(SCC(N)=O)s1)C(=O)NC12CC3CC(CC(C3)C1)C2,C06107543_decoy,PA2GA,Decoy,0,-12.4854,-7.87,-3.17,-9.370980072585546
Cc1ccc(NS(=O)(=O)c2ccc(NC(=S)NC(=O)C3CCC3)cc2)cc1C,C00938149_decoy,PA2GA,Decoy,0,-8.99098,-9.15,-3.82,-9.15192368278651
O=C(NC(=S)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)C1CC1,C01045002_decoy,PA2GA,Decoy,0,-9.64318,-9.04,-3.01,-7.761037346675576
CC(=O)c1ccc(NC(=S)Nc2ccc(S(=O)(=O)Nc3ccccc3C)cc2)cc1,C02853980_decoy,PA2GA,Decoy,0,-9.55239,-7.84,-4.14,-7.022200606982126
CCOC(=O)c1ccc(NC(=S)NNC(=O)c2ccc(Br)s2)cc1,C02851085_decoy,PA2GA,Decoy,0,-10.2203,-7.72,-1.75,-8.87219699871665
C[C@@H](OC(=O)/C=C/c1ccc(C(F)(F)F)cc1)C(=O)Nc1sccc1C(N)=O,C07815833_decoy,PA2GA,Decoy,0,-9.39395,-8.89,-2.21,-7.918432574298896
O=C(CNc1ccccc1C(=O)NCc1ccco1)Nc1ccc(C(F)(F)F)cc1,C07976134_decoy,PA2GA,Decoy,0,-9.54787,-8.37,-1.98,-7.682703509212698
CC[C@]1(c2ccc(NC(=O)CCCc3c[nH]c4ccccc34)cc2)CCC(=O)NC1=O,C08990872_decoy,PA2GA,Decoy,0,-9.56356,-9.19,-1.6,-8.440582067926446
CCCC(=O)Nc1ccc(Cl)c(NC(=S)NC(=O)c2ccc(Br)o2)c1,C10289104_decoy,PA2GA,Decoy,0,-11.1807,-7.9,-1.75,-11.035493459018609
CCN(Cc1ccc(C(F)(F)F)cc1)c1c(N)n(Cc2ccccc2)c(=O)[nH]c1=O,C10431748_decoy,PA2GA,Decoy,0,-8.60728,-8.89,-3.21,-8.79493391680458
CC(C)c1ccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC[C@@H]2CCCO2)cc1,C10012403_decoy,PA2GA,Decoy,0,-9.92539,-7.92,-2.29,-9.46809335598708
CC(C)Oc1cccc(C(=O)NC(=S)Nc2ccccc2C(=O)NC(C)(C)C)c1,C10122496_decoy,PA2GA,Decoy,0,-11.0215,-7.95,-2.0,-9.390964251329418
C=CCNS(=O)(=O)c1ccc(NC(=S)NC(=O)c2cc(Cl)cc(Cl)c2)cc1,C10505441_decoy,PA2GA,Decoy,0,-10.6117,-7.78,-2.83,-10.00519612073965
O=C(CCNS(=O)(=O)c1ccccc1)NC[C@@H](c1ccccc1)c1c[nH]c2ccccc12,C10690175_decoy,PA2GA,Decoy,0,-10.4829,-5.88,-1.58,-7.112472406386435
O=C(CNc1cc(C(F)(F)F)ccc1N1CCCC1)Nc1cccc(C(=O)NC2CC2)c1,C10849398_decoy,PA2GA,Decoy,0,-12.3465,-8.69,-1.55,-9.295642144340189
C[C@@H](NC(=O)CCc1ccc(-c2ccccc2F)o1)c1cccc(S(N)(=O)=O)c1,C13007398_decoy,PA2GA,Decoy,0,-11.6601,-9.31,-1.67,-11.305206288835866
CC(C)C(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccc(C(F)(F)F)cc2)cc1,C13854445_decoy,PA2GA,Decoy,0,-9.96103,-7.7,-2.01,-8.017937338192729
O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1,C13981861_decoy,PA2GA,Decoy,0,-9.79939,-8.9,-4.01,-8.173991117751203
O=C(/C=C/c1ccc(Cl)cc1)NC(=S)Nc1cccc(C(=O)NCc2ccco2)c1,C14837418_decoy,PA2GA,Decoy,0,-10.9347,-9.35,-1.6,-8.903948722835713
Cc1cc(C)c(NC(=O)CNC(=O)CCNC(=O)c2ccc(C(C)(C)C)cc2)c(C)c1,C15621070_decoy,PA2GA,Decoy,0,-9.4037,-7.97,-3.09,-8.954318976307718
CC(C)(C)c1ccc(C(=O)NCCC(=O)NCC(=O)Nc2ccc(F)c(F)c2)cc1,C17913649_decoy,PA2GA,Decoy,0,-10.5181,-7.53,-1.76,-10.857132107050704
NS(=O)(=O)c1ccc2c(c1)CCN2C[C@H](O)COc1ccc(-c2ccccc2)cc1,C22013035_decoy,PA2GA,Decoy,0,-11.1272,-1.35,-3.17,-4.012293704473613
CO[C@@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@H](O)[C@H]1O,C22063907_decoy,PA2GA,Decoy,0,-10.4582,-8.92,-1.73,-14.111510489842804
CO[C@H]1O[C@@H](COC(c2ccccc2)(c2ccccc2)c2ccccc2)[C@H](O)[C@H](O)[C@@H]1O,C22063917_decoy,PA2GA,Decoy,0,-6.68633,-9.41,-1.31,-8.708628215253844
NC(=O)N[C@@H](CC(=O)OCc1csc(-c2ccc(F)cc2)n1)c1ccccc1Cl,C23482914_decoy,PA2GA,Decoy,0,-12.2127,-7.1,-3.21,-7.661664033896428
NC(=O)CSc1nnc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)s1,C24206523_decoy,PA2GA,Decoy,0,-13.5448,-7.11,-2.26,-11.179362784544344
C[C@@H](Nc1nc2ccccc2s1)C(=O)Nc1cccc(C(=O)NCC(F)(F)F)c1,C25463365_decoy,PA2GA,Decoy,0,-10.5809,-9.74,-1.84,-11.00909805815052
CC(=O)Nc1ccc(C(=O)NC[C@H](c2ccc(N(C)C)cc2)c2c[nH]c3ccccc23)cc1,C28881505_decoy,PA2GA,Decoy,0,-9.83909,-7.23,-3.18,-7.922913290790679
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)NCC(=O)Nc1ccc(F)c(F)c1,C31410384_decoy,PA2GA,Decoy,0,-10.1935,-7.72,-2.88,-8.32652848444484
O=C(CNC(=O)c1ccc2ccccc2c1)NCCNc1ccc(C(F)(F)F)cn1,C32828319_decoy,PA2GA,Decoy,0,-10.8374,-8.52,-3.22,-10.095410418280611
C[C@H](NC(=O)CNC(=O)c1ccccc1F)c1cccc(NC(=O)c2ccccc2)c1,C32925185_decoy,PA2GA,Decoy,0,-10.3144,-8.82,-1.28,-10.37166908588748
O=C(NCCc1c[nH]c2ccccc12)/C(=C\c1cccnc1)NC(=O)c1ccccc1F,C09075700_decoy,PA2GA,Decoy,0,-9.62714,-6.15,-1.83,-6.559607084693945
COCCNC(=S)N1[C@@H]2CC[C@H]1CC(NC(=O)NC13CC4CC(CC(C4)C1)C3)C2,C17860602_decoy,PA2GA,Decoy,0,-11.0912,-7.13,-1.23,-8.358195627794089
CC(C)[C@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1cccs1,C40115481_decoy,PA2GA,Decoy,0,-9.82624,-8.0,-1.19,-7.732963626431107
CC(C)[C@@H](NC(=O)c1cc(S(=O)(=O)Nc2ccccc2F)c[nH]1)c1cccs1,C40115483_decoy,PA2GA,Decoy,0,-9.09503,-6.31,-3.63,-5.901874113054689
O=C(CNC(=O)NCc1ccccc1)NC[C@@H](c1ccccc1)N1CCc2sccc2C1,C46809661_decoy,PA2GA,Decoy,0,-10.8241,-8.37,-1.53,-8.89919178966635
CC(C)[C@@H](NC(=O)c1c(F)cccc1F)C(=O)N[C@H](C)c1ccc(NC(=O)C2CC2)cc1,C31395772_decoy,PA2GA,Decoy,0,-10.9963,-9.24,-3.58,-9.939921253555044
COc1ccc(NC(=S)N/N=C/c2cc(Br)ccc2O)cc1OC,C06370219_decoy,PA2GA,Decoy,0,-10.2517,-7.99,-2.78,-9.45986401715377
C[C@@H](NC(=O)CNC(=O)c1ccccc1)c1ccc(NC(=O)c2ccc(F)cc2)cc1,C59887865_decoy,PA2GA,Decoy,0,-8.20283,-8.61,-2.66,-8.042222014785198
C[C@H]1C[C@@H]1C(=O)Nc1ccc(C(=O)NC[C@H](O)COc2ccc(C(F)(F)F)cc2)cc1,C60035230_decoy,PA2GA,Decoy,0,-11.0224,-9.01,-3.52,-8.5277576721525
O=C(CNc1cccc(C(F)(F)F)c1)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1,C66084170_decoy,PA2GA,Decoy,0,-11.3806,-9.7,-1.39,-11.082751586801605
O=C(CNc1ccc(C(=O)NC[C@@H]2CCCO2)cc1)Nc1ccc(Cl)c(Cl)c1,C66089403_decoy,PA2GA,Decoy,0,-10.5537,-8.68,-5.45,-7.792333145013972
O=C(CNc1cccc(Br)c1)Nc1cccc(C(=O)NCc2ccco2)c1,C66094488_decoy,PA2GA,Decoy,0,-9.47821,-9.33,-2.25,-8.180599032085567
O=C(CNc1ccc(Cl)c(Cl)c1)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1,C66209911_decoy,PA2GA,Decoy,0,-10.7025,-8.18,-0.99,-10.576769278796643
O=C(CNc1ccc(Cl)c(Cl)c1)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1,C66209914_decoy,PA2GA,Decoy,0,-10.2608,-9.32,-1.78,-9.43897086131987
O=C(CNc1cc(Cl)cc(Cl)c1)Nc1cccc(C(=O)NC[C@@H]2CCCO2)c1,C66210239_decoy,PA2GA,Decoy,0,-9.80517,-8.84,-1.69,-9.526960992984067
O=C(CNc1cccc(Cl)c1Cl)Nc1cccc(C(=O)NC[C@H]2CCCO2)c1,C66215321_decoy,PA2GA,Decoy,0,-9.28051,-9.24,-1.32,-7.882785461404841
CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C/CCCC(=O)[O-])O[C@@H]2C[C@H]1O,C03830760_decoy,PA2GA,Decoy,0,-13.3321,-7.68,-2.2,-9.800238087347696
Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NCCC(=O)[O-])cc1,C07779686_decoy,PA2GA,Decoy,0,-11.4831,-9.35,-3.35,-11.667516051329772
CCCCC[C@H](O)/C=C/[C@H]1[C@H]2C/C(=C/CCCC(=O)[O-])O[C@@H]2C[C@H]1O,C03830758_decoy,PA2GA,Decoy,0,-12.8892,-6.71,-1.26,-11.754575650996475
COc1ccc(CCNC(=S)N/N=C/c2ccc(C(=O)[O-])cc2)cc1OC,C08519804_decoy,PA2GA,Decoy,0,-10.1754,-6.88,-1.34,-7.235374280878153
CCNc1nnc(SCC(=O)Nc2ccc(Br)cc2C(=O)[O-])s1,C13024335_decoy,PA2GA,Decoy,0,-12.159,-6.92,-0.7,-9.00865241336568
C/C(=N\Nc1ccc(Cl)c(Cl)c1)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1,C13060588_decoy,PA2GA,Decoy,0,-11.6229,-7.43,-1.87,-7.292109273206459
CCCc1cc(C(=O)NNS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)sc1C,C13079197_decoy,PA2GA,Decoy,0,-9.74231,-8.07,-1.49,-7.328651999073789
CC(C)(C)c1ccc(OCC(=O)NNC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1,C13250935_decoy,PA2GA,Decoy,0,-9.46174,-8.86,-2.37,-7.789776637604459
CC(C)(C)c1ccc(OCC(=O)NNC(=O)CC2(C(=O)[O-])CCCC2)cc1,C13250943_decoy,PA2GA,Decoy,0,-11.526,-8.77,-1.5,-11.692981944532844
CC(C)c1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1,C13253641_decoy,PA2GA,Decoy,0,-9.12289,-8.73,-1.83,-12.786594470972515
CC[C@H](C)c1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1,C13255641_decoy,PA2GA,Decoy,0,-8.78729,-8.86,-2.76,-8.826855990112747
O=C(CSc1nnc(NCCc2cccs2)s1)Nc1ccccc1C(=O)[O-],C13278332_decoy,PA2GA,Decoy,0,-13.914,-5.89,-1.65,-7.936480016159056
O=C([O-])c1ccc(/C=N/NC(=S)Nc2cccc(C(F)(F)F)c2)cc1,C13339133_decoy,PA2GA,Decoy,0,-10.826,-7.12,-4.58,-10.147655133813275
CC[C@H](C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)NCCC(=O)[O-])cc2)cc1,C13360270_decoy,PA2GA,Decoy,0,-11.3272,-6.55,-1.64,-8.277771342650013
CC[C@H](C)Nc1nnc(SCC(=O)Nc2ccc(/C=C/C(=O)[O-])cc2)s1,C13406129_decoy,PA2GA,Decoy,0,-12.6186,-8.06,-1.47,-17.99562099863236
C=C(C)CSCCc1c(C)nc(Nc2ccc(C(=O)[O-])cc2)[nH]c1=O,C16854557_decoy,PA2GA,Decoy,0,-11.3571,-6.82,-1.75,-7.699177292113885
CC[C@H]1CCc2c(sc(NC(=O)CCC(=O)[O-])c2C(=O)NC2CCCC2)C1,C17080221_decoy,PA2GA,Decoy,0,-11.4846,-7.26,-1.32,-9.257737575104056
CC(C)NC(=O)c1c(NC(=O)CCCC(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2,C17088088_decoy,PA2GA,Decoy,0,-10.9223,-5.42,-2.55,-7.342776156175957
C[C@@H]1CCc2c(sc(NC(=O)C[C@@H](C)CC(=O)[O-])c2C(=O)NC2CCCCC2)C1,C17092414_decoy,PA2GA,Decoy,0,-11.219,-7.65,-2.18,-10.96741257704118
CCCCC[C@H](O)/C=C\[C@@H]1[C@@H]2C/C(=C\CCCC(=O)[O-])O[C@@H]2C[C@H]1O,C21983257_decoy,PA2GA,Decoy,0,-10.7953,-6.02,-0.88,-8.048629884810973
CCCCC[C@H](O)/C=C\[C@@H]1[C@H]2C/C(=C\CCCC(=O)[O-])O[C@@H]2C[C@H]1O,C21983259_decoy,PA2GA,Decoy,0,-12.046,-6.54,-1.48,-9.452713436637223
C=CCNC(=O)Cc1cc([O-])nc(SCC(=O)NCc2ccc(C)cc2)n1,C22629019_decoy,PA2GA,Decoy,0,-10.621,-7.59,-1.43,-8.712723887681348
O=C([O-])CCNC(=O)c1ccc(NCCC(=O)c2ccc(Cl)cc2)cc1,C26959066_decoy,PA2GA,Decoy,0,-8.90437,-7.47,-2.35,-6.633536479349186
COc1cc(N[C@@H](C)C(=O)Nc2ccc(F)c(F)c2)ccc1[N-]S(C)(=O)=O,C27023016_decoy,PA2GA,Decoy,0,-9.72945,-8.49,-1.08,-8.902650596270119
COc1cc(N[C@H](C)C(=O)Nc2ccc(C)cc2F)ccc1[N-]S(C)(=O)=O,C27023203_decoy,PA2GA,Decoy,0,-10.4071,-8.44,-2.46,-9.754768867247854
Cc1nc(S[C@@H](C)C(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)[nH]c(=O)c1CCC(=O)[O-],C39667973_decoy,PA2GA,Decoy,0,-12.2371,-7.13,-1.97,-10.765966799127671
CCCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1,C40155375_decoy,PA2GA,Decoy,0,-10.2286,-8.03,-2.84,-10.126303677097823
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NCc1ccc(-c2ccc(Cl)cc2)o1,C40721723_decoy,PA2GA,Decoy,0,-9.37498,-7.55,-4.41,-7.015177803193819
CCC(CC)C(=O)NNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1,C42034212_decoy,PA2GA,Decoy,0,-11.1695,-7.68,-1.29,-9.89564958614804
O=C(NC[C@H](C(=O)[O-])c1ccc(O)cc1)OCC1c2ccccc2-c2ccccc21,C02530173_decoy,PA2GA,Decoy,0,-10.4392,-6.09,-2.21,-6.0604445126915945
COc1cc(C(C)C)cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])c1O,C44319529_decoy,PA2GA,Decoy,0,-8.20123,-7.23,-3.52,-8.483932791502099
O=C(N[C@H](Cc1ncc[nH]1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44320338_decoy,PA2GA,Decoy,0,-9.02333,-7.25,-2.17,-8.527299788090682
O=C(N[C@H](Cc1ccc[nH]1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44320348_decoy,PA2GA,Decoy,0,-10.4331,-6.32,-2.34,-6.856489928493319
CCNC(=O)c1cccc(NC(=O)CCn2c([S-])nnc2-c2cccs2)c1,C45773484_decoy,PA2GA,Decoy,0,-12.3628,-7.01,-2.09,-9.897940664810044
Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nnc(NCC(C)C)s3)c12,C13405900_decoy,PA2GA,Decoy,0,-12.048,-7.19,-1.25,-13.86145290992766
CC[C@H](C)Nc1nnc(SCc2cc(=O)[nH]c3sc(C(=O)[O-])c(C)c23)s1,C13406017_decoy,PA2GA,Decoy,0,-11.3512,-7.47,-1.03,-9.52276866255934
CCCc1nnc([S-])n1CC(=O)Nc1cc(NC(=O)C(C)C)ccc1C,C46838236_decoy,PA2GA,Decoy,0,-11.9517,-8.49,-2.45,-15.88682745097146
CCCCN/C([O-])=C(\C#N)C(=O)Cc1cs/c(=N\C(=O)c2cccs2)[nH]1,C51010297_decoy,PA2GA,Decoy,0,-12.8363,-6.54,-3.94,-8.922438262302197
C[C@@](CC(=O)Nc1ccc(C(=O)NC2CCCC2)cc1)(C(=O)[O-])c1ccccc1,C55150488_decoy,PA2GA,Decoy,0,-9.18196,-8.16,-2.25,-7.047441376957262
CCS(=O)(=O)[N-]c1ccc(N[C@H](C)C(=O)Nc2ccc(C)c(F)c2)cc1,C56198672_decoy,PA2GA,Decoy,0,-8.71433,-8.88,-2.16,-8.209600685447814
CC(C)c1ccc(C(=O)NC(=S)NCc2ccc(C(=O)[O-])cc2)cc1,C20151631_decoy,PA2GA,Decoy,0,-10.0935,-8.89,-3.41,-8.805871697053346
CCCc1cc(=O)[nH]c(N/C(=N/C(=O)c2ccccc2)[N-]c2ccc(F)cc2)n1,C17821191_decoy,PA2GA,Decoy,0,-8.71962,-7.37,-5.17,-7.211493505687859
CCCS(=O)(=O)[N-]c1ccc(N[C@@H](C)C(=O)NCCC(C)C)cc1,C63632566_decoy,PA2GA,Decoy,0,-9.68152,-7.53,-1.66,-8.922222571465468
CC(C)COC(=O)Nc1cccc(NC(=O)CC2(C(=O)[O-])CCCC2)c1,C63640191_decoy,PA2GA,Decoy,0,-11.5813,-8.26,-2.17,-9.924699017941789
CC1=C(CC/C([O-])=N/c2nc(C(F)(F)F)n[nH]2)[C@H](C)NN1CC(C)C,C64069956_decoy,PA2GA,Decoy,0,-10.4301,-8.23,-0.99,-13.937499614728363
C=CCn1c([S-])nc2cc(C(=O)NC3=NN[C@@H](C(CC)CC)S3)ccc2c1=O,C64201989_decoy,PA2GA,Decoy,0,-11.9825,-7.27,-1.96,-7.80396618107322
Cc1ccc(N[C@H](C)C(=O)NCc2cccs2)cc1[N-]S(C)(=O)=O,C64409881_decoy,PA2GA,Decoy,0,-9.5439,-7.87,-1.36,-8.464593687512604
CCc1ccc(/N=C(/[S-])Nc2ccc(S(=O)(=O)Nc3ncccn3)cc2)cc1,C13878676_decoy,PA2GA,Decoy,0,-11.9143,-8.47,-3.62,-11.92291762877946
CSc1nc([O-])c(C(=O)NCc2cccc(NC(=O)CC(C)C)c2)cc1C#N,C64752527_decoy,PA2GA,Decoy,0,-11.2426,-8.39,-2.07,-11.5110675470084
CC(C)Oc1ccc(F)cc1NC(=O)NCc1ccccc1[N-]S(C)(=O)=O,C67295389_decoy,PA2GA,Decoy,0,-9.25365,-7.52,-2.66,-8.801997746878936
O=C([O-])/C=C/C(=O)Nc1ccc2c(c1)[C@H](NC(=O)C(F)(F)F)c1ccccc1-2,C01688061_decoy,PA2GA,Decoy,0,-9.5494,-8.68,-2.58,-8.693103746894707
C[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(C(=O)[O-])cc3)cc2C1,C13059575_decoy,PA2GA,Decoy,0,-9.58279,-10.17,-2.69,-9.121203955966775
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NNC(=O)c2ccc(Br)s2)c1C,C13079141_decoy,PA2GA,Decoy,0,-8.71518,-8.77,-1.74,-8.03418265636028
Cc1ccc(N2C(=O)S[C@@H](CC(=O)Nc3ccc(O)cc3C(=O)[O-])C2=O)c(C)c1,C16923666_decoy,PA2GA,Decoy,0,-13.3766,-7.54,-3.13,-8.505674106932034
Cc1sc(NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C,C17080225_decoy,PA2GA,Decoy,0,-10.2374,-7.61,,99.0
Cc1sc(NC(=O)[C@@H]2CCCC[C@H]2C(=O)[O-])c(C(=O)NC2CCCC2)c1C,C17080226_decoy,PA2GA,Decoy,0,-9.71051,-8.48,-1.83,-9.310615839166092
C[C@@H]1CCc2c(sc(NC(=O)[C@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NC2CC2)C1,C17082906_decoy,PA2GA,Decoy,0,-12.0647,-7.6,-1.82,-11.73012980552977
Cc1sc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c(C(=O)NC2CCCCC2)c1C,C17082915_decoy,PA2GA,Decoy,0,-11.2488,-7.56,-0.95,-9.80122148045651
Cc1cc([N+](=O)[O-])cc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)c1C,C26541631_decoy,PA2GA,Decoy,0,-7.24089,-7.81,-3.54,-7.00763663713133
O=C(Nc1cccc2cn[nH]c12)c1ccc([N-]S(=O)(=O)c2cccs2)cc1,C29385448_decoy,PA2GA,Decoy,0,-12.4117,-8.8,-2.93,-9.998578172171442
O=C(COC(=O)c1cc([O-])[nH]c(=O)c1)Nc1ccc(Br)cc1F,C12500255_decoy,PA2GA,Decoy,0,-10.3874,-8.11,-1.12,-12.482109461950126
CNC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC3CC3)N2[C@@H]1c1ccccc1,C35692591_decoy,PA2GA,Decoy,0,-9.14991,-7.7,-1.66,-6.173242733661392
O=C(NC1CCCC1)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1CC2,C35897891_decoy,PA2GA,Decoy,0,-11.4027,-8.26,-0.83,-9.634170559184028
C=C1C=C([O-])N2C(=NC(NC[C@H]3CCCO3)=N[C@H]2c2ccc(SC)cc2)N1,C20392588_decoy,PA2GA,Decoy,0,-10.9645,-6.99,-2.32,-7.430275624624374
O=C1C=C/C(=C\NN/C(=N\c2ccccc2)c2ccc3ccccc3n2)C([O-])=C1,C08048625_decoy,PA2GA,Decoy,0,-8.71254,-8.57,-1.08,-9.523564249493385
COS(=O)(=O)[N-]c1ccc(-c2ccccc2O)cc1N1CCN[C@@H](Br)C1,C39482494_decoy,PA2GA,Decoy,0,-10.8636,-6.94,-1.56,-8.090390986072562
Cc1cc(C)c(C(=O)[O-])c(SCC(=O)NC(=O)N[C@@H]2CCC[C@@H](C)[C@@H]2C)n1,C39630303_decoy,PA2GA,Decoy,0,-10.5425,-9.24,-1.42,-9.30843414037448
C[C@H](Sc1nnc([O-])[nH]c1=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,C41606061_decoy,PA2GA,Decoy,0,-10.5334,-6.86,-1.85,-7.187429291063912
Cc1ccc(-c2n[nH]c(/N=C(\[O-])c3cccc(NC(=O)[C@@H]4C[C@@H]4C)c3)n2)s1,C50006337_decoy,PA2GA,Decoy,0,-12.2087,-7.43,-2.17,-7.946993890082113
C[C@@H](NC(=O)c1cccs1)/C([O-])=C(\C#N)C(=O)Nc1ccc(F)c(Cl)c1,C50949512_decoy,PA2GA,Decoy,0,-10.5769,-6.7,-2.55,-7.1798667978346025
N#Cc1cccc(NC(=O)c2cccc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2)c1,C55150908_decoy,PA2GA,Decoy,0,-11.6974,-9.18,-2.34,-8.040768047249086
C=CCNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(=O)NC)c2C)c1,C55588996_decoy,PA2GA,Decoy,0,-10.0517,-8.3,-3.66,-8.561072595676297
CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(F)c(F)c1F,C55614567_decoy,PA2GA,Decoy,0,-9.99859,-8.6,-1.28,-10.625277811461084
CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc3c(cc2F)NC(=O)CC3)cc1,C55622793_decoy,PA2GA,Decoy,0,-9.80332,-7.94,-2.26,-8.090103716975293
N#Cc1c(SCC(=O)NCc2ccc(Cl)c(Cl)c2)sc2c([O-])cc(=O)[nH]c12,C13568711_decoy,PA2GA,Decoy,0,-11.4146,-8.26,-2.47,-13.814743590169266
Cc1cc(C(=O)[O-])c(O)c(S(=O)(=O)Nc2ccc(N3CCCC3)c(F)c2)c1,C58368609_decoy,PA2GA,Decoy,0,-12.9575,-9.44,-2.59,-11.290552357453011
C[C@]1(c2cccc([N-]S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)c2)NC(=O)NC1=O,C59017697_decoy,PA2GA,Decoy,0,-9.32572,-9.3,-2.4,-9.541675912595744
Cc1ccc(N2C(=S)NC([O-])=C3C2=NC(=O)[C@@]3(NC(=O)CC(C)C)C(F)(F)F)cc1,C59255203_decoy,PA2GA,Decoy,0,-9.8153,-8.26,-1.41,-9.321661603077036
C[C@@H](NC(=O)c1ccccc1NC(=O)c1ccccc1)c1cccc([N-]S(C)(=O)=O)c1,C59404311_decoy,PA2GA,Decoy,0,-10.0926,-9.18,-2.24,-9.67983034063525
N#Cc1c(SCC(=O)Nc2ccc(C(F)(F)F)cc2)sc2c([O-])[nH]c(=O)nc12,C13568742_decoy,PA2GA,Decoy,0,-12.8844,-7.73,-2.05,-14.540889864455869
O=C([O-])c1cc(N2C(=O)C[C@@H](Nc3ccccc3C(F)(F)F)C2=O)ccc1O,C16901912_decoy,PA2GA,Decoy,0,-12.3809,-9.61,-1.48,-12.341439608257163
O=C([O-])c1ccc(N2C(=O)C[C@@H](Nc3ccccc3C(F)(F)F)C2=O)cc1O,C16902036_decoy,PA2GA,Decoy,0,-10.8357,-7.23,-1.57,-6.773744478507515
O=C(NCc1cccnc1OC1CCCC1)c1ccc2c([O-])[nH]c(=S)nc2c1,C60630863_decoy,PA2GA,Decoy,0,-11.7602,-6.16,-1.9,-8.112424875888554
CSc1nc([O-])c(C(=O)Nc2cc(NC(=O)C(C)C)ccc2C)cc1C#N,C60648681_decoy,PA2GA,Decoy,0,-8.846,-6.38,-1.66,-7.029221362059304
CC(C)NC(=O)c1ccc(NC(=O)c2cccc(-n3nc([O-])ccc3=O)c2)cc1,C61409665_decoy,PA2GA,Decoy,0,-9.57494,-7.09,-3.1,-7.812837405339044
CS(=O)(=O)[N-]c1cccc(NC(=O)c2csc(Nc3cccnc3)n2)c1,C62163162_decoy,PA2GA,Decoy,0,-11.036,-6.98,-2.7,-8.458112539730541
O=C1Nc2ccccc2/C1=N\NC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1,C13123238_decoy,PA2GA,Decoy,0,-9.49726,-7.47,-2.39,-8.1225123012346
O=C(NCC[C@H]1CCCO1)Nc1ccc(I)cc1C(=O)[O-],C62824854_decoy,PA2GA,Decoy,0,-8.78642,-7.03,-0.78,-10.105609713804457
O=C(Nc1ccccc1)Nc1cccc([N-]S(=O)(=O)c2cncc(F)c2)c1,C63476544_decoy,PA2GA,Decoy,0,-8.97339,-7.68,-3.52,-8.434402005893402
CNC(=O)c1cc(NC(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)ccc1F,C64525073_decoy,PA2GA,Decoy,0,-10.7236,-7.32,-1.4,-8.600202245201865
Cc1cccc([N-]S(=O)(=O)C2=CN=C([C@@H]3NN[C@H](c4ccccc4)O3)C2)c1C,C64612655_decoy,PA2GA,Decoy,0,-9.55007,-10.19,-1.13,-9.30713795114709
Cc1ccccc1[N-]S(=O)(=O)C1=CN=C([C@@H]2NN[C@H](c3ccccc3)O2)C1,C64612747_decoy,PA2GA,Decoy,0,-9.33991,-9.71,-2.74,-9.185615912902168
Cc1ccc([N-]S(=O)(=O)C2=CN=C([C@H]3NN[C@@H](c4ccccc4)O3)C2)cc1C,C64612790_decoy,PA2GA,Decoy,0,-11.8398,-9.85,-0.85,-9.69613200571092
COc1ccccc1[N-]S(=O)(=O)C1=CN=C([C@@H]2NN[C@@H](c3ccccc3)O2)C1,C64612924_decoy,PA2GA,Decoy,0,-12.0527,-9.38,-2.49,-9.344749726138708
Cc1ccc(Cl)cc1[N-]S(=O)(=O)C1=CN=C([C@@H]2NN[C@@H](c3ccc(F)cc3)O2)C1,C64612994_decoy,PA2GA,Decoy,0,-11.3886,-9.81,-3.09,-9.6571573145071
Cc1ccc([N-]S(=O)(=O)C2=CN=C([C@@H]3NN[C@@H](c4ccc(F)cc4)O3)C2)cc1C,C64613049_decoy,PA2GA,Decoy,0,-12.3322,-10.22,-1.83,-9.606174377576798
N#Cc1c(SCC(=O)Nc2cccc(C(F)(F)F)c2)sc2c([O-])cc(=O)[nH]c12,C13568716_decoy,PA2GA,Decoy,0,-9.33731,-7.69,-1.42,-7.098900628778438
CCc1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1S(N)(=O)=O,C67124652_decoy,PA2GA,Decoy,0,-9.501,-8.6,-1.97,-8.67368154204414
CCc1ccc([N-]S(=O)(=O)c2ccc(C)cc2Cl)cc1S(N)(=O)=O,C67124728_decoy,PA2GA,Decoy,0,-10.5459,-8.85,-1.91,-12.593069860255206
C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1cccc(F)c1)c1cccc([N-]S(C)(=O)=O)c1,C67562164_decoy,PA2GA,Decoy,0,-10.3489,-7.77,-0.77,-9.644234151795615
COc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1,C08819914_decoy,PA2GA,Decoy,0,-11.4557,-8.36,-1.44,-8.608300155931257
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)[O-])c1,C08820552_decoy,PA2GA,Decoy,0,-10.7867,-8.95,-1.8,-8.706978086421453
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)NCCCCC(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@@]21C,C09171079_decoy,PA2GA,Decoy,0,-12.143,-8.25,-2.37,-9.439818443975277
CC(C)C[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-],C12382137_decoy,PA2GA,Decoy,0,-10.7582,-6.77,-2.61,-8.105537580043517
Cc1ccc(S(=O)(=O)Nc2nc(-c3ccc(NC(=O)CC(C)C)cc3)cs2)cc1C(=O)[O-],C13031181_decoy,PA2GA,Decoy,0,-13.089,-9.36,-2.76,-16.097458010809262
C[C@@H](Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1CCO)C(=O)Nc1ccc(C(C)(C)C)cc1,C13045792_decoy,PA2GA,Decoy,0,-10.7412,-9.87,-2.47,-9.235330805701151
C[C@H](NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@@H](C)O)C12CC3CC(CC(C3)C1)C2,C13051540_decoy,PA2GA,Decoy,0,-10.4695,-6.35,-1.25,-7.468624673721039
C[C@H](O)Cn1c(SCC(=O)N[C@H](C)C23CC4CC(CC(C4)C2)C3)nc2cc(C(=O)[O-])ccc2c1=O,C13051543_decoy,PA2GA,Decoy,0,-10.7031,-8.83,-3.69,-9.60534337955451
C/C(=N\NC(=O)c1cccs1)c1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1,C13066480_decoy,PA2GA,Decoy,0,-11.7419,-8.24,-2.31,-9.54659135881504
CC(C)(C)[C@H]1CCc2sc(C(=O)NNS(=O)(=O)c3ccc(CCC(=O)[O-])cc3)cc2C1,C13079059_decoy,PA2GA,Decoy,0,-13.0148,-8.25,-2.61,-10.098355164175318
CCCC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)n2)cc1,C13195347_decoy,PA2GA,Decoy,0,-10.0305,-8.19,-3.14,-7.818462424995274
O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1cc2ccccc2cc1C(=O)[O-],C13245425_decoy,PA2GA,Decoy,0,-14.0169,-9.3,-3.57,-11.334377463551444
C/C(=N\NC(=S)NCCc1ccccc1)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1,C13264198_decoy,PA2GA,Decoy,0,-11.5594,-8.6,-3.71,-8.541749488444964
O=C(CSc1nnc(NCCc2cccs2)s1)Nc1cc(Cl)ccc1C(=O)[O-],C13278334_decoy,PA2GA,Decoy,0,-13.0626,-7.46,-1.26,-9.205217106404165
O=C([O-])CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)cc1,C13395435_decoy,PA2GA,Decoy,0,-12.0508,-6.64,-5.32,-7.603496723799164
Cc1nc(SCC(=O)Nc2cc(C(F)(F)F)ccc2N2CCCCC2)[nH]c(=O)c1CCC(=O)[O-],C13450351_decoy,PA2GA,Decoy,0,-11.0849,-7.76,-2.55,-10.03548026615765
C=CCOC(=O)NCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C14632660_decoy,PA2GA,Decoy,0,-11.246,-7.74,-1.25,-11.122340108511583
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCCCCC(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@@]21C,C15956808_decoy,PA2GA,Decoy,0,-13.0759,-6.66,,99.0
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCCCCC(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@@]21C,C15956809_decoy,PA2GA,Decoy,0,-12.166,-7.71,-2.79,-8.048200692244471
O=C([O-])CCCNC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccc(Br)o1,C02322870_decoy,PA2GA,Decoy,0,-10.9137,-7.65,-1.59,-11.622670061301978
CCc1ccccc1NC(=O)CSC1=C(C#N)[C@@H](c2ccccc2F)C(C(=O)OC)=C([O-])N1,C20057944_decoy,PA2GA,Decoy,0,-10.5761,-7.91,-1.25,-10.633213612096768
CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](CC)C(=O)Nc2c(C)cc(C)cc2C)nc1[O-],C21882708_decoy,PA2GA,Decoy,0,-12.7132,-8.47,-2.66,-10.503855051793227
CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](CC)C(=O)Nc2cc(F)ccc2F)nc1[O-],C21882731_decoy,PA2GA,Decoy,0,-13.6889,-8.4,-3.39,-10.749584385043132
CCCC(=O)c1c(O)c(C[C@]2(C)C(=O)C(C(=O)[C@H](C)CC)C(=O)C(C)=C2[O-])c(O)c(C)c1OC,C04098829_decoy,PA2GA,Decoy,0,-10.1213,-8.95,-2.14,-11.30762093146017
O=C(CSc1nc([O-])cc(CC(=O)NC2CC2)n1)Nc1ccc(OC(F)(F)F)cc1,C23145237_decoy,PA2GA,Decoy,0,-12.3297,-6.43,-1.05,-7.963017311997795
CC(C)C[C@H](NC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccc(Cl)cc1Cl)C(=O)[O-],C26804237_decoy,PA2GA,Decoy,0,-11.2878,-8.8,-2.55,-15.387489250361128
CC(Cl)(Cl)[C@@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/C#N)[N-]c1ccc(C(F)(F)F)nc1,C28866286_decoy,PA2GA,Decoy,0,-9.88108,-8.14,-3.63,-8.832018051952575
CC(Cl)(Cl)[C@H](NC(=O)c1ccc(C(F)(F)F)cc1)N/C(=N/C#N)[N-]c1ccc(Cl)nc1,C28866443_decoy,PA2GA,Decoy,0,-11.5472,-8.9,-3.82,-9.91350487733935
CC(NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])=C1C(=O)CC(C)(C)CC1=O,C38528694_decoy,PA2GA,Decoy,0,-10.9145,-9.49,-3.01,-13.681799276937587
C=CCn1c([S-])nnc1CC1=N[C@H](NC(=O)c2ccc(NC(=O)c3cccs3)cc2)SC1,C38798769_decoy,PA2GA,Decoy,0,-13.874,-7.41,-1.81,-8.070310454891716
C=CCn1c([S-])nnc1CC1=N[C@@H](NC(=O)c2cccc(NC(=O)c3cccs3)c2)SC1,C38798778_decoy,PA2GA,Decoy,0,-13.5304,-8.5,-3.19,-9.564135784209132
O=S(=O)([N-]C[C@H](c1ccc(-c2ccccc2O)cc1)N1CCN[C@H](F)C1)Oc1ccccc1,C39534082_decoy,PA2GA,Decoy,0,-12.2818,-7.48,-1.65,-6.823062763294938
C[C@]12CC[C@@H]3[C@@H](CCC4=C/C(=N/OCC(=O)NCCCCC(=O)[O-])CC[C@@]43C)[C@@H]1CC[C@@H]2O,C39546555_decoy,PA2GA,Decoy,0,-13.029,-7.99,-2.14,-8.064436397721638
CC(C)C[C@H](NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@@H](C)O)c1ccccc1,C13052190_decoy,PA2GA,Decoy,0,-11.8585,-7.88,-1.67,-8.621408947919369
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1,C40046854_decoy,PA2GA,Decoy,0,-11.0056,-7.69,-1.69,-11.757063371353984
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCCO)[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1,C40053507_decoy,PA2GA,Decoy,0,-12.5526,-7.88,-3.91,-10.74446591309144
O=C(C[C@@H]1C[C@H]2CC[C@@H]1C2)NNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1,C45574515_decoy,PA2GA,Decoy,0,-11.9658,-9.9,-3.24,-11.286066880954172
CCC(=O)Nc1ccc([C@H](C)NC(=O)c2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2)cc1,C46793983_decoy,PA2GA,Decoy,0,-10.855,-6.58,-4.13,-6.731850426520616
C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1)c1ccc(NC(=O)C2CC2)cc1,C46794993_decoy,PA2GA,Decoy,0,-9.82739,-8.91,-4.27,-7.523478616103536
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2OC(F)(F)[C@@H](F)C(F)(F)F)cc1,C48331847_decoy,PA2GA,Decoy,0,-9.50161,-7.86,-1.94,-9.853428973990724
Cc1cccc(-c2nnc([S-])n2CCC(=O)N[C@@H](C)c2ccc(NC(=O)C3CC3)cc2)c1,C31397694_decoy,PA2GA,Decoy,0,-11.3153,-7.78,-2.51,-9.678133542517664
O=C([O-])C[C@@H](CNC(=O)c1cccc(NC(=O)c2ccccc2Cl)c1)c1ccc(Cl)cc1,C58845801_decoy,PA2GA,Decoy,0,-13.0633,-9.74,-1.88,-11.5371581059758
CCOc1ccc([C@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(Cl)c(C(=O)[O-])c3)o2)cc1,C58892778_decoy,PA2GA,Decoy,0,-12.0897,-7.93,-1.19,-9.008230487033066
O=C(CNC(=O)C1CC1)Nc1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1,C59120989_decoy,PA2GA,Decoy,0,-10.8474,-9.09,-2.46,-9.389254140021306
C[C@H](NC(=O)CCNC(=O)c1ccc(C(C)(C)C)cc1)c1ccccc1[N-]S(C)(=O)=O,C59266508_decoy,PA2GA,Decoy,0,-10.2793,-8.56,-2.42,-9.33160681400396
C=CCn1c([S-])nc2cc(C(=O)NCCNc3ncccc3C(F)(F)F)ccc2c1=O,C59352675_decoy,PA2GA,Decoy,0,-10.7352,-7.96,-2.38,-7.962350058211021
CC[C@H](C)[C@@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccc([N-]S(C)(=O)=O)c1,C59404309_decoy,PA2GA,Decoy,0,-10.5888,-8.49,-0.93,-9.21582310203328
CCOc1cccc(C(=O)NNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1,C59594047_decoy,PA2GA,Decoy,0,-9.90966,-7.73,-3.56,-7.985939087798794
CC(C)C(=O)Nc1ccc(N2CCN(CC(=O)Nc3ccccc3C(F)(F)F)CC2)cc1C(=O)[O-],C45967683_decoy,PA2GA,Decoy,0,-13.1733,-7.98,-1.64,-9.320611621888023
CC(C)Cc1ccc([C@H](C)C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1,C66199594_decoy,PA2GA,Decoy,0,-11.7604,-7.99,-2.14,-9.369707981419
Cc1c(CCC(=O)NCC2CCC(C(=O)[O-])CC2)c(=O)oc2c(C)c(O)ccc12,C02096750_decoy,PA2GA,Decoy,0,-10.5082,-7.77,-2.29,-9.388630017937365
O=[N+]([O-])c1cc(Br)cc(/C=N/NC(=S)NC2CCCCC2)c1[O-],C05756604_decoy,PA2GA,Decoy,0,-12.1962,-7.29,-1.47,-10.349623285409091
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])cc2)cc1,C01083499_decoy,PA2GA,Decoy,0,-12.4852,-7.99,-2.12,-8.801836357793674
O=C([O-])c1ccccc1/C=N/NC(=S)Nc1cc(C(F)(F)F)ccc1Cl,C03283660_decoy,PA2GA,Decoy,0,-11.1402,-8.63,-2.71,-11.505817747672728
O=C(CN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)[O-])c(O)c1,C08820411_decoy,PA2GA,Decoy,0,-12.2744,-8.55,-1.89,-11.723117632212883
Cc1ccc(C)c(S(=O)(=O)Nc2cc(S[C@H](C)C(=O)[O-])c(O)c3ccccc23)c1,C08870746_decoy,PA2GA,Decoy,0,-11.0929,-8.37,-2.08,-11.013114859173577
O=C([O-])c1cccc(NC(=S)NC(=O)c2ccc(-c3ccc(Br)cc3)o2)c1,C01157891_decoy,PA2GA,Decoy,0,-12.1685,-7.33,-2.3,-9.05644907468149
O=C(N[C@H](c1ccc2ccccc2c1)[C@@H](O)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C12351523_decoy,PA2GA,Decoy,0,-11.2312,-10.94,-2.4,-11.583468168361785
O=C(Nc1cccc(C(=O)[O-])c1)/C(=C/c1ccco1)NC(=O)c1ccccc1Br,C12659476_decoy,PA2GA,Decoy,0,-10.5292,-5.82,-1.74,-6.989532300661007
O=C([O-])c1ccc(Br)c(S(=O)(=O)NNc2ccc(C(F)(F)F)cn2)c1,C12516730_decoy,PA2GA,Decoy,0,-10.9773,-6.69,-1.55,-6.39129181873191
CC[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cc(C(=O)[O-])cc(C)c3C)cc2C1,C13079143_decoy,PA2GA,Decoy,0,-12.0373,-8.03,-1.02,-8.073648197672176
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NNC(=O)c2ccc(-c3ccc(F)cc3)s2)c1C,C13079360_decoy,PA2GA,Decoy,0,-12.1949,-10.21,-4.0,-13.938911970251834
O=C(CC1(C(=O)[O-])CCCC1)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1,C13251114_decoy,PA2GA,Decoy,0,-12.3768,-7.97,-1.77,-11.61043830983615
O=C([O-])c1cc(S(=O)(=O)NCc2ccc(-c3ccc(Br)cc3)o2)ccc1O,C13461460_decoy,PA2GA,Decoy,0,-11.9016,-8.77,-3.24,-12.689982032039577
O=C(Nc1ccc(C(=O)[O-])cc1)/C(=C\c1ccco1)NC(=O)c1ccc(Br)cc1,C15768225_decoy,PA2GA,Decoy,0,-9.50749,-5.98,-4.22,-7.063479925536375
O=C(CCCCl)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)[O-],C16383293_decoy,PA2GA,Decoy,0,-11.9854,-7.09,-1.3,-9.656554454189134
O=C(CSc1ccc(Cl)cc1)NC(=S)Nc1ccc(Br)cc1C(=O)[O-],C16429166_decoy,PA2GA,Decoy,0,-10.8462,-7.26,-1.37,-8.115139874780162
CCc1c(C)sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])c1C(=O)NC1CCCC1,C17098098_decoy,PA2GA,Decoy,0,-12.6499,-5.95,-2.14,-7.463120623079075
CCc1c(C)sc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c1C(=O)NC1CCCC1,C17098100_decoy,PA2GA,Decoy,0,-12.4244,-7.95,-1.61,-10.026173081942773
C[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)Nc2ccc(Cl)cc2)C1,C17099324_decoy,PA2GA,Decoy,0,-11.8355,-6.69,-1.41,-8.455981947147412
CNC(=O)c1ccsc1NC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)cc1,C20570058_decoy,PA2GA,Decoy,0,-9.91906,-7.62,-1.58,-8.711480086865539
CC(=O)NCc1ccc(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc1,C21221737_decoy,PA2GA,Decoy,0,-10.6777,-9.93,-3.12,-8.358484254311753
N#C/N=C(\[N-]c1cccnc1)N[C@@H](NC(=O)c1ccc(Cl)cc1)C(Cl)(Cl)Cl,C13588829_decoy,PA2GA,Decoy,0,-10.2945,-7.07,-1.65,-8.842213066950533
O=C(NCc1ccco1)Nc1ccc([N-]S(=O)(=O)c2c(Cl)cccc2Cl)cc1,C27802103_decoy,PA2GA,Decoy,0,-8.69561,-5.23,-3.07,-5.119895667742719
NC(=O)c1cc([N-]S(=O)(=O)c2ccc(OC(F)(F)F)cc2)ccc1Cl,C28258853_decoy,PA2GA,Decoy,0,-11.1857,-6.41,-3.84,-7.324648904488184
Cc1ccc(N/C=C(C(\[O-])=N\S(=O)(=O)c2ccc(C)cc2)/[C@@H](O)C(F)(F)F)cc1,C32620411_decoy,PA2GA,Decoy,0,-10.0111,-8.49,,99.0
CC[C@@H](C)N/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)NC)[C@H](c3ccccc3)N12,C35692577_decoy,PA2GA,Decoy,0,-8.08472,-8.06,-2.61,-6.736279464817488
CC[C@@H](C)N/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)NC)[C@@H](c3ccccc3)N12,C35692581_decoy,PA2GA,Decoy,0,-9.66586,-7.67,-2.57,-10.76163982313184
CNC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCC3CC3)N2[C@H]1c1ccccc1Cl,C35693338_decoy,PA2GA,Decoy,0,-10.7953,-7.92,-4.03,-11.180259132374363
CC(C)NC(=O)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2,C35897805_decoy,PA2GA,Decoy,0,-11.3108,-8.5,-3.93,-9.250706388488732
O=C(C[C@@H]1SC([N-]/[NH+]=C/c2ccccc2[O-])=NC1=O)Nc1ccccc1C(F)(F)F,C08385301_decoy,PA2GA,Decoy,0,-10.2592,-8.91,-2.2,-8.101022985666447
O=C(CSc1nc([O-])c(C/C=C/c2ccccc2)c(=O)[nH]1)Nc1cccc(F)c1,C08606287_decoy,PA2GA,Decoy,0,-11.4288,-8.38,-1.77,-10.24517162766896
CCCC[C@H]1[N-][C@@H](Cl)[C@H](CO)[NH+]1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1,C38664621_decoy,PA2GA,Decoy,0,-11.3763,-7.47,-2.26,-9.522547850188062
CC1=C([C@H](c2ccccc2OCc2ccc(C)cc2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1,C39422245_decoy,PA2GA,Decoy,0,-9.40098,-9.08,-2.14,-10.320731225675626
CC(C)CCc1c([O-])nc(SCC(=O)Nc2nc3ccccc3s2)[nH]c1=O,C39425454_decoy,PA2GA,Decoy,0,-10.4704,-9.13,-2.15,-8.671808157861022
CCOS(=O)(=O)[N-]c1ccc(-c2ccccc2O)cc1N1CCN[C@H](Cl)C1,C39482473_decoy,PA2GA,Decoy,0,-10.33,-6.98,-1.5,-8.240879461236716
Cc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@H]3C4)ccc2C)c(C)c1,C39679301_decoy,PA2GA,Decoy,0,-10.9404,-7.34,-2.88,-7.58104115514745
CC(C)(C)c1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2CCCO)cc(C(C)(C)C)c1O,C40046570_decoy,PA2GA,Decoy,0,-11.3881,-8.1,-1.77,-11.714202735521702
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1,C40075716_decoy,PA2GA,Decoy,0,-9.64224,-7.8,-2.45,-9.465439356323657
CC(C)CC(=O)C1=C([O-])C(=O)N(CC2(c3ccccc3)CCCC2)[C@H]1c1ccc(O)cc1O,C40358093_decoy,PA2GA,Decoy,0,-10.2651,-8.44,-2.04,-10.8957244131078
COCCCN1C(=O)c2n[nH]c(-c3cc(Cl)ccc3[O-])c2[C@@H]1c1cccc(O)c1,C39898278_decoy,PA2GA,Decoy,0,-12.7777,-6.87,-2.7,-9.34412181098169
CC(C)(C)OC(=O)N[C@@H](Cc1c[nH]nc1-c1ccc(C(F)(F)F)cc1)C(=O)[O-],C44298259_decoy,PA2GA,Decoy,0,-9.57698,-8.52,-1.17,-11.897879659695548
Cc1cccc(Oc2ccc(Cl)cc2[N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1,C45772656_decoy,PA2GA,Decoy,0,-10.8176,-9.43,-4.08,-13.936437532488464
O=c1[nH]c2cccc(Oc3cccc([N-]S(=O)(=O)c4cccc(C(F)(F)F)c4)c3)c2[nH]1,C45364573_decoy,PA2GA,Decoy,0,-10.2682,-9.54,-1.65,-8.73362535842664
C[C@@H](NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1)c1nc2ccccc2[nH]1,C57895437_decoy,PA2GA,Decoy,0,-11.1996,-8.27,-2.75,-10.111276334078036
O=C(CC/C([O-])=N/C(=N/c1ccccc1)NCCc1c[nH]c2ccccc12)N1CCCCCC1,C32943156_decoy,PA2GA,Decoy,0,-10.442,-7.31,-2.47,-7.716087489258889
Cc1ccc(NC(=O)[C@H](C)Nc2ccc(C)c([N-]S(C)(=O)=O)c2)cc1Cl,C64409846_decoy,PA2GA,Decoy,0,-11.4901,-6.86,-1.7,-6.512236885133081
Cc1ccc(NCc2cc([O-])n3nc(NCc4ccc(Cl)cc4)nc3n2)cc1,C65322879_decoy,PA2GA,Decoy,0,-10.6492,-9.3,-2.87,-8.252707178338142
Cc1ccc(CNc2nc3nc(CNc4cccc(C(F)(F)F)c4)cc([O-])n3n2)cc1,C65322903_decoy,PA2GA,Decoy,0,-11.4485,-6.22,-3.15,-6.409525478463312
Cc1cc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)ccc1O[C@@H](C)CC(C)C,C66585666_decoy,PA2GA,Decoy,0,-9.56289,-8.37,-2.26,-9.66013886983784
O=C(CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S)Nc1ccc(O)c(C(=O)[O-])c1,C10434575_decoy,PA2GA,Decoy,0,-11.6123,-7.29,-0.66,-12.304384687259422
Cc1c(CCC(=O)N[C@@H](Cc2ccc(Cl)cc2)C(=O)[O-])c(=O)oc2c(C)c(O)ccc12,C02155896_decoy,PA2GA,Decoy,0,-12.6735,-8.21,-2.13,-8.478534348718629
CC(C)C[C@H](NC(=O)/C(=C\c1ccc(F)cc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-],C12382140_decoy,PA2GA,Decoy,0,-10.1434,-8.35,-3.62,-9.926339150453064
CC[C@H](C)[C@H](NC(=O)CO/N=C1/C=C2CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1)C(=O)[O-],C12662328_decoy,PA2GA,Decoy,0,-12.7919,-8.94,-4.25,-8.525984815203612
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1,C13031383_decoy,PA2GA,Decoy,0,-11.8453,-7.63,-3.95,-7.692385868940244
NC(=O)[C@H](Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@@H]1CCCO1)c1ccc(F)cc1,C13053705_decoy,PA2GA,Decoy,0,-10.9305,-7.3,-1.73,-8.293858878529695
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2cc(F)ccc2F)c1,C13087341_decoy,PA2GA,Decoy,0,-11.6343,-9.65,-3.69,-9.898556723439448
O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccc(Br)cc1C(=O)[O-],C13238112_decoy,PA2GA,Decoy,0,-10.9363,-8.06,-0.7,-10.38979315755464
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1,C13249209_decoy,PA2GA,Decoy,0,-13.8753,-5.44,-4.3,-6.931372800421987
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1,C13250414_decoy,PA2GA,Decoy,0,-13.0448,-8.0,-2.49,-9.861173844523274
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1,C13250724_decoy,PA2GA,Decoy,0,-13.2251,-9.89,-3.0,-11.283724660535189
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1,C13252279_decoy,PA2GA,Decoy,0,-12.7689,-9.46,-2.07,-8.595665384125533
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)cc1,C13262375_decoy,PA2GA,Decoy,0,-10.2255,-6.49,-2.14,-7.466098846238447
O=C([O-])c1ccc(-n2ncc(NCc3ccc(NC(=O)C4CC4)cc3)c(Cl)c2=O)cc1,C13279913_decoy,PA2GA,Decoy,0,-10.9255,-6.22,-1.62,-6.963509460700607
O=C(NC(=S)Nc1ccc(I)cc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1,C16400907_decoy,PA2GA,Decoy,0,-10.1848,-6.39,-3.46,-6.756999906564231
CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@H]2CCCC[C@@H]2C(=O)[O-])c1,C17089850_decoy,PA2GA,Decoy,0,-11.9986,-6.47,-1.9,-8.568797684178596
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)cc2)cc1,C17094871_decoy,PA2GA,Decoy,0,-10.6482,-8.05,-2.46,-7.7796521344078045
Cc1ccc(-c2csc(NC(=O)[C@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)c2C(=O)NC2CC2)cc1,C17100372_decoy,PA2GA,Decoy,0,-12.5868,-8.83,-1.58,-14.469854251447936
COC(=O)C1=C([O-])NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1ccc(Cl)cc1,C20131442_decoy,PA2GA,Decoy,0,-11.5254,-6.68,-1.03,-6.956040394774254
O=C(NNS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1[N-]S(=O)(=O)c1cccs1,C23055369_decoy,PA2GA,Decoy,0,-12.9636,-5.13,-2.15,-8.168408628794543
O=C(NNC(=O)[C@H]1CC=CCC1)c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1,C24350664_decoy,PA2GA,Decoy,0,-10.2225,-10.35,-4.16,-9.467483818757968
CC(C)N(c1ccccc1)c1ccc(NC(=O)COC(=O)c2cc([O-])[nH]c(=O)c2)cc1,C09716324_decoy,PA2GA,Decoy,0,-8.92898,-8.1,-1.66,-7.865567671459066
Cc1cc(C)nc(NNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccc(C(F)(F)F)c2)n1,C25932428_decoy,PA2GA,Decoy,0,-10.5197,-9.37,-1.82,-10.854935953360329
CC(=O)Nc1ccc(/C=C/C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)cc1,C27598603_decoy,PA2GA,Decoy,0,-11.0432,-9.86,-5.03,-8.450406793869483
O=C(CCCCCN1C(=O)/C(=C\c2cccs2)SC1=S)Nc1ccc(O)cc1C(=O)[O-],C28296903_decoy,PA2GA,Decoy,0,-12.5573,-8.79,-2.15,-14.601748884524692
CC(Cl)(Cl)[C@@H](NC(=O)c1cc(F)cc(F)c1)N/C(=N/C#N)[N-]c1ccc(Cl)nc1,C28866409_decoy,PA2GA,Decoy,0,-10.6912,-8.09,-3.91,-9.383199277494905
Cc1cccc(C(=O)N[C@H](N/C(=N/C#N)[N-]c2ccc(Cl)nc2)C(C)(Cl)Cl)c1,C28866432_decoy,PA2GA,Decoy,0,-9.80613,-6.56,-1.49,-7.034472585605794
CC1(C)S[C@@H]2[C@H](NC(=O)[C@H](NC(=O)c3ccccc3F)c3ccccc3)C(=O)N2[C@@H]1C(=O)[O-],C35678166_decoy,PA2GA,Decoy,0,-10.4829,-6.95,-3.38,-7.353613191183054
O=c1[nH]c(=O)n(CCNc2ncc(C(F)(F)F)cc2Cl)c([O-])c1Cc1ccc(Cl)cc1,C20219146_decoy,PA2GA,Decoy,0,-9.41133,-9.14,-1.6,-8.452863472717027
CCOC(=O)c1ccc(NC(=S)N[N-]C2=NC(=O)C3=C(C)[C@H](C)SC3=N2)cc1,C38827284_decoy,PA2GA,Decoy,0,-10.3845,-8.02,-1.06,-8.6279091868192
CC1=C([C@H](c2ccc(OCc3ccc(F)cc3)cc2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1,C39012120_decoy,PA2GA,Decoy,0,-10.7337,-6.16,-2.14,-5.929285466784414
COc1cc([C@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OCc1ccc(Cl)cc1,C39030021_decoy,PA2GA,Decoy,0,-10.6824,-7.29,-3.99,-7.376869457234639
CC1=C([C@H](c2ccc(OC(=O)c3ccccc3C)cc2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1,C39422249_decoy,PA2GA,Decoy,0,-11.3218,-8.85,-1.31,-10.370924745188995
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@H]4C=C[C@@H]3C4)cc2)cc1C,C39679260_decoy,PA2GA,Decoy,0,-11.2248,-8.6,-3.13,-8.68754092027855
C[C@@H]1[C@H](C)CCC[C@H]1NC(=O)[C@@H](C)Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@@H](C)O,C39698609_decoy,PA2GA,Decoy,0,-10.9849,-9.3,-3.08,-9.066480855894936
CCC1=C(C)S[C@H]2N[C@@H](SCc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)N(CC)C(=O)[C@H]12,C39724279_decoy,PA2GA,Decoy,0,-9.35419,-8.65,-1.96,-7.738710898275234
CC(C)(C)c1cc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2CCO)cc(C(C)(C)C)c1O,C40068324_decoy,PA2GA,Decoy,0,-10.0569,-8.34,-2.92,-10.302005800328365
C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCO)cc1OC,C39898015_decoy,PA2GA,Decoy,0,-11.2329,-8.57,-3.47,-10.81791583688002
Cc1ccc(Br)c([N-]S(=O)(=O)c2cccc(C(=O)NCc3ccc(O)cc3)c2)c1,C45853048_decoy,PA2GA,Decoy,0,-11.2449,-5.29,-1.96,-6.3806524228756745
COc1cc([C@@H]2CC(=O)Nc3nc(SCc4ccc(C)cc4)nc([O-])c32)cc(OC)c1O,C13567311_decoy,PA2GA,Decoy,0,-12.0446,-8.29,-1.95,-10.991405402047636
COC(=O)c1ccc(Cl)cc1NC(=O)CSc1sc2c([O-])cc(=O)[nH]c2c1C#N,C13990381_decoy,PA2GA,Decoy,0,-12.1106,-7.37,-1.3,-8.217681981120316
Cc1ccc([N-]S(=O)(=O)[C@H]2CCCC[C@H]2O)cc1S(=O)(=O)Nc1ccccc1Cl,C58330778_decoy,PA2GA,Decoy,0,-10.2551,-9.9,-1.86,-10.622865671475587
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(I)c([O-])c([N+](=O)[O-])c1,C58886438_decoy,PA2GA,Decoy,0,-9.97252,-7.34,-2.02,-9.368827855254208
O=C(Nc1ccn[nH]1)c1cccc(S(=O)(=O)[N-]c2ccc(SC(F)F)cc2)c1,C60063357_decoy,PA2GA,Decoy,0,-10.8773,-9.53,-1.27,-9.23547750807838
O=C(Nc1ccc(Oc2ccccc2)cc1)C1=CNN(c2ccc([O-])nn2)[C@H]1C(F)(F)F,C39779958_decoy,PA2GA,Decoy,0,-11.103,-8.55,-2.55,-7.433991203752288
CC1=C(CSc2ncccc2C(=O)Nc2nc(-c3ccc(C)cc3)n[n-]2)[C@H](C)ON1,C64151411_decoy,PA2GA,Decoy,0,-10.2557,-7.34,-3.12,-7.176945268819297
CCN(CC)c1ccc(/C=C2/C(=O)N=C([O-])N(c3ccc(Oc4ccc(N)cc4)cc3)C2=O)cc1,C08997173_decoy,PA2GA,Decoy,0,-11.1785,-7.01,-1.62,-7.390806266009419
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cccc(C)c2C)nc1[O-],C64774483_decoy,PA2GA,Decoy,0,-10.3896,-8.91,-1.7,-8.846506197144654
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(F)cc2F)nc1[O-],C64774501_decoy,PA2GA,Decoy,0,-13.2278,-9.24,-3.55,-9.196742714532643
CCCS(=O)(=O)[N-]c1ccc(NC(=O)N2CCC[C@H](C(=O)NCC3CC3)C2)cc1,C65315411_decoy,PA2GA,Decoy,0,-9.99333,-6.93,-3.0,-8.004741182758938
CCC[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C)cc1)C(=O)[O-],C05104810_decoy,PA2GA,Decoy,0,-9.5993,-7.36,-3.2,-8.11899523273978
Cc1csc(C(=O)[O-])c1NS(=O)(=O)c1ccc(NC(=O)C(Cl)=C(Cl)Cl)cc1,C02156670_decoy,PA2GA,Decoy,0,-11.4955,-7.96,-2.85,-8.44272207480406
O=C(Nc1cccc(C(=O)[O-])c1)/C(=C/c1ccco1)NC(=O)c1ccc(Br)o1,C00915811_decoy,PA2GA,Decoy,0,-10.6208,-8.15,-2.52,-15.73151154208584
O=C([O-])CCCNC(=O)/C(=C/c1ccc2c(c1)OCO2)NC(=O)c1cccc(Br)c1,C08720986_decoy,PA2GA,Decoy,0,-10.187,-6.36,-1.64,-7.404143204506119
Cc1c(CC(=O)N[C@H](CC(=O)[O-])c2ccc(OCC(C)C)cc2)c(=O)oc2cc(O)ccc12,C08878186_decoy,PA2GA,Decoy,0,-10.1676,-9.12,-3.12,-9.664931214798475
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Br)c2ccccc12,C11635066_decoy,PA2GA,Decoy,0,-10.6267,-8.6,-4.53,-9.995522458354865
C[C@H](Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@@H](C)O)C(=O)NCCC1=CCCCC1,C13051809_decoy,PA2GA,Decoy,0,-11.0613,-7.45,,99.0
C[C@@H](O)Cn1c(S[C@@H](C(=O)NC2CC2)c2ccc(F)cc2)nc2cc(C(=O)[O-])ccc2c1=O,C13052635_decoy,PA2GA,Decoy,0,-11.2827,-7.98,-2.2,-8.27245107686947
CC(C)[C@H](NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1)c1nc2ccccc2[nH]1,C13247360_decoy,PA2GA,Decoy,0,-10.1186,-8.04,-1.27,-10.03234601594515
O=C(Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1)[C@H]1CC=CC[C@H]1C(=O)[O-],C13250408_decoy,PA2GA,Decoy,0,-10.7398,-7.53,-1.93,-7.631658237485756
CC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(Cl)c(C(=O)[O-])c3)n2)c(F)c1,C13278701_decoy,PA2GA,Decoy,0,-10.7353,-5.14,-1.97,-6.135767885518233
CC(=O)N[C@@H](C)c1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)n2)cc1,C13302535_decoy,PA2GA,Decoy,0,-10.3363,-8.66,-2.01,-7.896452239168601
Cc1ccc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1,C13348463_decoy,PA2GA,Decoy,0,-9.57903,-5.66,-5.58,-5.326058288155363
O=C([O-])CCCNC(=O)/C(=C\c1cccc(Br)c1)NC(=O)c1ccco1,C13400858_decoy,PA2GA,Decoy,0,-9.95116,-7.42,-3.35,-9.78858100402395
O=C([O-])CCCNC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccco1,C02271099_decoy,PA2GA,Decoy,0,-10.2887,-7.94,-1.56,-10.427355259047967
O=C(NC(=S)Nc1ccc(Br)cc1C(=O)[O-])c1ccc(Cl)c([N+](=O)[O-])c1,C16384484_decoy,PA2GA,Decoy,0,-9.31272,-8.4,-2.17,-8.592541798277203
O=C(/C=C/c1ccco1)NC(=S)Nc1c(Br)cc(Br)cc1C(=O)[O-],C16430050_decoy,PA2GA,Decoy,0,-10.3042,-7.61,-3.24,-8.815142559762217
CC(=O)c1cccc(NC(=O)c2ccsc2NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1,C17089156_decoy,PA2GA,Decoy,0,-9.7107,-7.83,-2.3,-7.8805635298419
Cc1ccc(-c2csc(NC(=O)[C@@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)c2C(=O)NC2CC2)cc1,C17100374_decoy,PA2GA,Decoy,0,-12.5188,-9.01,-1.96,-12.739734657247082
C[C@H]1CCc2c(sc(NC(=O)[C@@H]3CCCC[C@@H]3C(=O)[O-])c2C(=O)NCc2ccco2)C1,C19641230_decoy,PA2GA,Decoy,0,-10.1103,-7.62,-2.87,-7.885662322344652
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(C)c(C)c3)cc2)n1,C20496850_decoy,PA2GA,Decoy,0,-10.6812,-10.35,-3.2,-8.232599529264258
CC(=O)Nc1ccc(C)cc1-c1nnc(S[C@@H](C)C(=O)Nc2cccc(Cl)c2C)nc1[O-],C21882667_decoy,PA2GA,Decoy,0,-11.9914,-9.29,-1.67,-12.512165770300786
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C)cc2)nc1[O-],C21882745_decoy,PA2GA,Decoy,0,-11.5813,-9.78,-3.59,-9.53775793279063
CC(C)C[C@H](NC(=O)/C(=C\c1ccccc1Cl)NC(=O)c1ccccc1)C(=O)[O-],C26464001_decoy,PA2GA,Decoy,0,-9.38657,-7.85,-1.79,-9.248962148754185
CC(Cl)(Cl)[C@@H](NC(=O)c1cccc(F)c1)N/C(=N/C#N)[N-]c1ccc(C(F)(F)F)nc1,C28866492_decoy,PA2GA,Decoy,0,-10.0943,-7.94,-1.4,-8.096238351074351
CC(Cl)(Cl)[C@@H](NC(=O)c1cccs1)N/C(=N/C#N)[N-]c1cncc(Br)c1,C28866553_decoy,PA2GA,Decoy,0,-11.448,-7.22,-3.79,-8.474519795534212
Cc1cc(C)cc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)c1,C30828813_decoy,PA2GA,Decoy,0,-10.3778,-9.22,-1.3,-7.757935568432858
CCc1cc(=O)[nH]c(SCC(=O)Nc2sc3c(c2C(=O)[O-])CC[C@@H](C)C3)n1,C32522334_decoy,PA2GA,Decoy,0,-10.3519,-7.19,-2.65,-9.35846748550196
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(Br)cc3)[nH]n2)cc1,C32950935_decoy,PA2GA,Decoy,0,-10.4117,-9.04,-1.68,-8.117864200919804
CCc1c(C)sc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)c1C(=O)NC1CCCC1,C35897810_decoy,PA2GA,Decoy,0,-12.0822,-6.87,,99.0
CCc1c(C)sc(NC(=O)[C@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])c1C(=O)NC1CCCC1,C17098109_decoy,PA2GA,Decoy,0,-10.7171,-5.81,-2.33,-7.500124066947951
Cc1nc(SC[C@@H]2NC(c3ccc(C(F)(F)F)cc3)=NO2)nc([O-])c1CCO,C39588087_decoy,PA2GA,Decoy,0,-13.4104,-8.58,-1.45,-20.641112237032463
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CCCO)cc(Br)c1O,C40047269_decoy,PA2GA,Decoy,0,-11.9268,-7.23,-1.47,-9.36681918261301
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CCO)cc(Br)c1O,C40076373_decoy,PA2GA,Decoy,0,-12.5183,-5.61,-1.25,-7.973926051513724
Cc1cc(O)c(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])cc1I,C44319261_decoy,PA2GA,Decoy,0,-10.0705,-7.76,-3.48,-11.889514277758892
CNc1ccc(/C=C2\SC(/C=C(\[O-])Nc3ccc(C)cc3)=NC2=O)cc1[N+](=O)[O-],C25562260_decoy,PA2GA,Decoy,0,-10.6709,-8.73,,99.0
CCc1nc2sc([C@H](c3ccc(C(F)(F)F)cc3)N3CCC(C(N)=O)CC3)c([O-])n2n1,C22853789_decoy,PA2GA,Decoy,0,-13.2579,-8.39,-2.84,-10.069223151761706
[H]/N=C1/[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)SC(=O)[C@H]1/N=C/c1ccc(N(C)C)cc1,C58836569_decoy,PA2GA,Decoy,0,-11.4275,-8.02,-3.09,-8.613582477741426
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccc(C)cc3)cc2)cc1,C59132900_decoy,PA2GA,Decoy,0,-9.94911,-8.39,-2.2,-7.880088407216
CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](NC(=O)c2ccccc2C)C(C)C)cc1,C59885304_decoy,PA2GA,Decoy,0,-9.44744,-7.95,-1.95,-10.221785107235334
Cc1ccc([N-]S(C)(=O)=O)c(C(=O)NCC2(NC(=O)OC(C)(C)C)CCCCCC2)c1,C60093068_decoy,PA2GA,Decoy,0,-8.55222,-8.04,-1.51,-9.251316032257565
Cc1ccc(N[C@@H](C)C(=O)Nc2ccc(Br)cc2)cc1[N-]S(C)(=O)=O,C60099881_decoy,PA2GA,Decoy,0,-9.24442,-7.41,-3.02,-8.204532688463726
CC(=O)Nc1ccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2ccc(F)cc2C)cc1Cl,C21135868_decoy,PA2GA,Decoy,0,-11.3247,-9.37,-1.89,-9.513298463064292
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3nccs3)N=C3CCCC([O-])=C32)ccc1O,C02216003_decoy,PA2GA,Decoy,0,-12.3988,-7.5,-1.69,-8.453066852923218
CC(C)(C)NC(=O)CN1CCN(c2ccc(NC(=O)C3CCCC3)c(C(=O)[O-])c2)CC1,C35482738_decoy,PA2GA,Decoy,0,-11.3879,-7.95,-2.36,-8.298595513104553
O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@@H](Sc1nnc(=O)[nH]c1[O-])c1ccccc1,C13638198_decoy,PA2GA,Decoy,0,-10.0545,-7.87,-1.8,-9.809252763902515
CCOc1ccccc1[N-]S(=O)(=O)C1=CN=C([C@H]2NN[C@H](c3ccccc3)O2)C1,C64612845_decoy,PA2GA,Decoy,0,-10.7791,-5.46,-1.87,-5.862902101603741
CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c([O-])n1)C(=O)Nc1ccc(F)c(Cl)c1,C64774686_decoy,PA2GA,Decoy,0,-13.2432,-9.15,-2.2,-10.62227442235048
CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(C)c(C)c2)nc1[O-],C64774869_decoy,PA2GA,Decoy,0,-12.2196,-9.22,-2.39,-9.54442195716543
CN(C)c1ccc(CNC(=O)c2c[nH]nc2S(=O)(=O)[N-]c2ccc(Cl)cc2)cc1,C67245515_decoy,PA2GA,Decoy,0,-11.1627,-8.22,-3.78,-12.978879455459316
C=CCOC(=O)NC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C02564726_decoy,PA2GA,Decoy,0,-10.5969,-8.97,-3.61,-14.521906560019898
CC(C)C[C@H](NC(=O)/C(=C/c1ccc(F)cc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-],C02981790_decoy,PA2GA,Decoy,0,-10.7402,-6.58,-3.05,-7.541210711742286
Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@H](C(=O)[O-])c4ccc(O)cc4)c(C)c3cc12,C02122140_decoy,PA2GA,Decoy,0,-10.3459,-9.29,-1.82,-10.290456993221108
CC[C@@H](C)[C@H](NC(=O)CO/N=C1/C=C2CC[C@H]3[C@H]4CC[C@H](O)[C@@]4(C)CC[C@H]3[C@@]2(C)CC1)C(=O)[O-],C12662326_decoy,PA2GA,Decoy,0,-11.5462,-9.2,-1.99,-8.6455364638649
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(S(=O)(=O)NC3CC3)cc2)c1C,C12653028_decoy,PA2GA,Decoy,0,-9.92755,-8.33,-2.13,-8.649236875854633
O=C([O-])/C=C/c1ccc(S(=O)(=O)NCC(=O)Nc2ccc(F)c(F)c2F)cc1,C13088341_decoy,PA2GA,Decoy,0,-12.0815,-9.24,-2.39,-10.420393200934182
Cc1cc(Br)ccc1NC(=O)CNc1ccc(/C=C/C(=O)[O-])cc1[N+](=O)[O-],C13192539_decoy,PA2GA,Decoy,0,-9.1561,-7.0,-2.8,-7.513103843198025
CC[C@@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1ccc(Br)cc1,C13211905_decoy,PA2GA,Decoy,0,-8.1863,-8.76,-2.28,-9.828697928107928
O=C(CSc1nnc(NC[C@@H]2CCCO2)s1)Nc1ccc(Br)cc1C(=O)[O-],C13238108_decoy,PA2GA,Decoy,0,-12.6931,-8.46,-1.13,-10.788352929872524
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])c1,C13252277_decoy,PA2GA,Decoy,0,-13.1573,-8.77,-3.09,-10.14979659415231
O=C([O-])c1csc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1,C13300723_decoy,PA2GA,Decoy,0,-12.6172,-7.23,-1.61,-8.48854273329487
O=C([O-])c1csc(S(=O)(=O)Nc2ccc(NS(=O)(=O)c3ccc(F)c(F)c3)cc2)c1,C13301071_decoy,PA2GA,Decoy,0,-10.8723,-9.15,-1.71,-9.264429140308437
CC(=O)N[C@@H](C)c1ccc(-c2csc(NS(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)n2)cc1,C13302516_decoy,PA2GA,Decoy,0,-10.865,-9.33,-4.6,-9.42163681898696
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)ccc1Cl,C13349770_decoy,PA2GA,Decoy,0,-10.3205,-8.03,-2.44,-8.19462725676623
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Nc1ccc(NC(C)=O)cc1C(F)(F)F,C14205424_decoy,PA2GA,Decoy,0,-9.86793,-8.65,-3.71,-9.334640801501406
O=C(NC(=S)Nc1c(Cl)cc(Cl)cc1C(=O)[O-])c1cccc([N+](=O)[O-])c1,C16399789_decoy,PA2GA,Decoy,0,-11.2909,-8.3,,99.0
Cc1ccc(-c2csc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])c2C(=O)NC2CC2)cc1,C17093996_decoy,PA2GA,Decoy,0,-12.7851,-8.8,-1.07,-15.15898222167898
CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(Cl)cc2)nc1[O-],C21882680_decoy,PA2GA,Decoy,0,-11.6704,-8.92,-2.21,-9.491226852501194
O=C(CNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)NCc1ccco1,C21960750_decoy,PA2GA,Decoy,0,-9.95748,-8.6,-3.32,-8.442642884106133
O=C(NCCNC(=O)c1ccco1)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1,C23041680_decoy,PA2GA,Decoy,0,-11.3594,-8.89,-1.2,-10.58255836993546
C[C@H]1CCc2sc(C(=O)NNC(=O)CCn3c([S-])nnc3-c3cccs3)cc2C1,C24310006_decoy,PA2GA,Decoy,0,-12.4232,-8.62,-1.52,-11.388063539647632
O=C(Cn1c([S-])nnc1-c1cccs1)N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1,C25145877_decoy,PA2GA,Decoy,0,-10.8392,-7.1,-1.75,-8.9172847493645
CCOC(=O)c1c(NC(=O)CSc2nc(C)c(CCO)c([O-])n2)sc2c1CCCC2,C32522911_decoy,PA2GA,Decoy,0,-13.0682,-5.94,-0.9,-8.216703468606589
Cc1ccccc1Oc1ccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)cc1,C33642862_decoy,PA2GA,Decoy,0,-11.3162,-8.16,-2.39,-10.86999054967966
C[C@H]1C[C@H]1C(=O)NNC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(Cl)cc2)c1,C12757554_decoy,PA2GA,Decoy,0,-10.9687,-9.42,-2.54,-11.730008695598787
NC1=C(c2ccccc2)C(=O)CN1c1cccc(S(=O)(=O)[N-]c2cccc(C(F)(F)F)c2)c1,C08686516_decoy,PA2GA,Decoy,0,-10.1321,-9.06,-1.24,-7.174456006368034
Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NCCNC(=O)C(C)C)c2)cc1Cl,C39484932_decoy,PA2GA,Decoy,0,-8.96713,-8.4,-3.04,-9.1375988508253
Cc1nc(SC[C@@H]2NC(c3cccc(C(F)(F)F)c3)=NO2)nc([O-])c1CCO,C39588085_decoy,PA2GA,Decoy,0,-13.5948,-8.43,-3.44,-10.955929411226936
NC(=O)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S,C39861959_decoy,PA2GA,Decoy,0,-12.0849,-8.07,-2.23,-10.565755725572073
O=C(N[C@@H](Cc1c[nH]c2ccc(F)cc12)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C02583087_decoy,PA2GA,Decoy,0,-11.2408,-10.22,-4.82,-13.784498397625766
CC(C)(C)OC(=O)N[C@@H](Cc1cc(Br)c(F)c(Br)c1O)C(=O)[O-],C44319241_decoy,PA2GA,Decoy,0,-10.3281,-7.6,-2.51,-11.880373517457585
O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1,C14482200_decoy,PA2GA,Decoy,0,-9.81359,-6.71,-3.19,-6.187028556632118
Cc1cccc([N-]S(=O)(=O)c2ccc(Cl)c(C(=O)NNC(=O)c3cc(C)oc3C)c2)c1,C45794066_decoy,PA2GA,Decoy,0,-10.1901,-9.04,-3.02,-10.872903458282584
O=C(Nc1ccc(N2CCC(O)CC2)cc1)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1,C46668505_decoy,PA2GA,Decoy,0,-11.6713,-7.5,-1.85,-7.053238552893718
CNC(=O)c1ccc(NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(Cl)c3)cc2)c(C)c1,C46779181_decoy,PA2GA,Decoy,0,-11.0611,-7.25,-1.5,-8.677861426933024
CC(=O)NNc1nc(C)c(C(/C=C/c2ccccc2)=N/[N-]S(=O)(=O)c2ccc(C)cc2)s1,C48547808_decoy,PA2GA,Decoy,0,-11.5479,-8.6,-1.9,-9.381807180395622
O=C(CCN1C(=O)/C(=C/c2ccc(Cl)cc2)SC1=S)Nc1ccc(O)cc1C(=O)[O-],C54360666_decoy,PA2GA,Decoy,0,-11.5561,-8.26,-1.61,-8.701784556625407
CC(C)(C)[C@H](NC(=O)CCCc1cccnc1)NC(=N/C#N)/N=c1\cccc2[n-]cccc1-2,C40952190_decoy,PA2GA,Decoy,0,-8.12066,-7.25,-3.39,-7.28208115031472
Nc1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1[N+](=O)[O-],C18707257_decoy,PA2GA,Decoy,0,-8.2841,-7.94,-0.68,-8.565151724062629
CC(=O)Nc1cccc(C(=O)/N=C(/[N-]Cc2ccncc2)Nc2ccc(Br)cc2)c1,C45940615_decoy,PA2GA,Decoy,0,-10.8,-8.85,-1.49,-12.129710555744412
CC(=O)Nc1cccc(C(=O)/N=C(/[N-]Cc2ccccn2)Nc2cccc(Br)c2)c1,C46126766_decoy,PA2GA,Decoy,0,-11.2529,-6.77,-3.27,-7.354965076119612
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(Sc3ccccn3)c(Cl)c2)cc1,C58367045_decoy,PA2GA,Decoy,0,-10.8645,-9.19,-2.47,-8.666359875847123
O=C([O-])C[C@@H](CNC(=O)c1ccc(NC(=O)c2ccc(Cl)cc2)cc1)c1ccc(Cl)cc1,C58840832_decoy,PA2GA,Decoy,0,-11.2121,-6.55,-4.22,-6.738590943978987
C[C@@H](NC(=O)CNC(=O)c1sc2ccccc2c1Cl)c1cccc([N-]S(C)(=O)=O)c1,C58952196_decoy,PA2GA,Decoy,0,-11.7627,-7.56,-1.4,-8.511746853444988
O=C1C[C@@H](C(=O)Nc2cccc(C(F)(F)F)c2)SC([N-]NC(=O)c2ccccc2Cl)=N1,C22707000_decoy,PA2GA,Decoy,0,-13.6045,-8.73,-2.16,-10.298498893436598
COC(=O)CCNC(=O)Nc1c(Br)cc(Br)cc1C(=O)[O-],C62825578_decoy,PA2GA,Decoy,0,-9.13578,-4.84,-2.36,-6.372749092155367
CC(C)(C)NC(=O)CN1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1,C64589546_decoy,PA2GA,Decoy,0,-11.6693,-7.77,-2.24,-8.698774328010341
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)nc1[O-],C64774528_decoy,PA2GA,Decoy,0,-11.5357,-9.79,-2.36,-10.194771387633878
CC(C)C(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)nc1[O-],C64774637_decoy,PA2GA,Decoy,0,-12.9027,-9.15,-1.19,-9.56557044590599
Cc1ccc(NC(=O)c2ccc([O-])nn2)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1,C09444332_decoy,PA2GA,Decoy,0,-10.6772,-9.79,-3.36,-11.493420585888575
CC(C)c1cc(C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cs1,C00373914_decoy,PA2GA,Decoy,0,-9.89163,-8.2,-2.22,-8.154182143534767
CC(=O)Nc1ccc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1,C08710308_decoy,PA2GA,Decoy,0,-10.9006,-7.18,-1.67,-10.30301575406502
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1,C13360017_decoy,PA2GA,Decoy,0,-11.0021,-6.53,-2.96,-9.225959401307724
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[NH+](CCc1ccsc1)C2,C13491489_decoy,PA2GA,Decoy,0,-10.2155,-7.37,-4.92,-10.795448656768912
CC(C)CNC(=O)C(=O)Nc1sc2c(c1C(=O)[O-])CC(C)(C)OC2,C06758951_decoy,PA2GA,Decoy,0,-9.87221,-5.85,-3.85,-6.497755327962454
CC[C@@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S,C16935289_decoy,PA2GA,Decoy,0,-12.592,-6.79,-2.01,-9.327750449211992
O=C(Nc1ccccc1)c1ccsc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-],C17075877_decoy,PA2GA,Decoy,0,-11.0444,-8.09,-4.13,-10.72487285629322
O=C(NCCNC(=O)C(Cl)(Cl)Cl)c1nc([O-])c2ccccc2n1,C22470731_decoy,PA2GA,Decoy,0,-10.3323,-5.74,-1.99,-6.1638356016256415
CS(=O)(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1,C23625773_decoy,PA2GA,Decoy,0,-9.346,-6.62,-0.93,-6.387063493813894
CC(=O)c1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)ccc2Cl)cc1,C26541568_decoy,PA2GA,Decoy,0,-9.47921,-8.18,-2.34,-9.69202670617596
O=C([O-])C(=O)/C(C(=O)c1ccccc1)=C1\O[C@](O)(c2ccccc2)C=C1O,C31909125_decoy,PA2GA,Decoy,0,-8.85023,-5.85,-1.17,-5.394715863329812
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H](C)O)[C@@H]2c2cccc(O)c2)cc1,C18043105_decoy,PA2GA,Decoy,0,-10.8,-9.14,-1.17,-10.581860645535986
C[C@H](O)CNS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F,C35600792_decoy,PA2GA,Decoy,0,-10.6799,-5.48,-2.07,-6.63484536460143
Cc1nc(/C=C/c2ccc(O)cc2)c([C@H](C(=O)[O-])c2ccccc2)c(=O)[nH]1,C16853105_decoy,PA2GA,Decoy,0,-8.3368,-5.68,-2.19,-5.753435290513548
C/C(=N/C[C@H](O)CO)c1c([O-])n(-c2ccccc2)c2ccccc2c1=O,C08101037_decoy,PA2GA,Decoy,0,-8.49779,-9.06,-2.02,-7.637116777241779
C[C@@H](NS(=O)(=O)c1c[nH]c(C(=O)[O-])c1)c1ccccc1Br,C36983683_decoy,PA2GA,Decoy,0,-8.94897,-6.36,-1.83,-7.112783433151528
C[C@H](CS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F)C(N)=O,C37227813_decoy,PA2GA,Decoy,0,-10.1222,-6.66,-2.45,-8.78500190913004
CC(=O)N[C@@H](C(=O)Nc1cc(Br)ccc1C(=O)[O-])C(C)C,C37742484_decoy,PA2GA,Decoy,0,-9.11456,-7.01,-1.27,-8.752551619241162
O=C([O-])c1cc(S(=O)(=O)NCc2cn[nH]c2)c(Br)s1,C38005959_decoy,PA2GA,Decoy,0,-10.0689,-5.71,-1.64,-7.766995324483054
CCCc1nnc([S-])n1CC(=O)N[C@H]1Nc2ccc(C)cc2S1,C39446597_decoy,PA2GA,Decoy,0,-9.58306,-8.22,-1.66,-7.9644305162750415
COc1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2CCCO)ccc1O,C40046308_decoy,PA2GA,Decoy,0,-10.9392,-7.44,-1.46,-9.408854512311065
O=C([O-])c1cc(S(=O)(=O)NCc2ccn[nH]2)c(Cl)cc1Cl,C41015822_decoy,PA2GA,Decoy,0,-10.9611,-7.31,-1.58,-9.155792838554484
Cc1ccc(NC(=S)Nn2c([S-])nnc2-c2cnccn2)c(C)c1,C44550227_decoy,PA2GA,Decoy,0,-11.1214,-6.46,-0.25,-8.493367287983379
NC(=O)c1ccc([N-]S(=O)(=O)c2cc(-c3ccno3)cs2)cc1,C44903083_decoy,PA2GA,Decoy,0,-9.87566,-9.24,-1.15,-8.98511421895095
O=C(CN1C(=O)/C(=C/c2ccccc2O)SC1=S)Nc1ccc(C(=O)[O-])cc1,C15036058_decoy,PA2GA,Decoy,0,-10.9007,-9.11,-1.83,-7.971182623689327
CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(Cl)cc(C(=O)[O-])c1Cl,C49098894_decoy,PA2GA,Decoy,0,-9.64429,-7.63,-1.74,-9.112825109132912
C[C@H](NC(=O)c1cccs1)/C([O-])=C(/C#N)C(=O)NC1CCCCC1,C50680300_decoy,PA2GA,Decoy,0,-9.28682,-6.92,-1.82,-8.366041269008278
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(OC(F)F)c(F)c2)cc1,C55638201_decoy,PA2GA,Decoy,0,-9.78947,-7.27,-2.14,-7.212909295682735
CCc1ccc(S(=O)(=O)[N-]c2cccc(S(N)(=O)=O)c2C)s1,C55650573_decoy,PA2GA,Decoy,0,-9.62417,-8.16,-1.32,-10.160075772035054
Cc1ccc(/C=C/S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)cc1,C55678633_decoy,PA2GA,Decoy,0,-10.7468,-8.15,-0.67,-10.254411188152028
COc1c(F)cc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cc1F,C55682275_decoy,PA2GA,Decoy,0,-10.853,-7.41,-2.69,-9.25008483816641
CCCCN(CC(N)=O)C(=O)/C=C\c1ccc([N-]S(C)(=O)=O)cc1,C57325754_decoy,PA2GA,Decoy,0,-10.0714,-6.38,-1.59,-8.317943338381031
CSc1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1,C07708213_decoy,PA2GA,Decoy,0,-10.8494,-7.73,-2.74,-8.910496170666582
CS(=O)(=O)[N-]c1cccc(CNC(=O)c2cc3c(F)cccc3[nH]2)c1,C25239883_decoy,PA2GA,Decoy,0,-9.59363,-10.43,-0.99,-9.703348114977269
O=C1C[C@H](C(=O)Nc2ccccc2)SC([N-]NC(=O)c2ccc(Cl)cc2)=N1,C17082562_decoy,PA2GA,Decoy,0,-11.2263,-7.46,-2.79,-7.515873054853421
O=C(NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1)c1ccc2c(c1)OCCO2,C20493882_decoy,PA2GA,Decoy,0,-10.5311,-6.77,-1.3,-8.547794219883347
NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2cc(F)ccc2F)c1,C60184760_decoy,PA2GA,Decoy,0,-10.6348,-5.69,-2.45,-5.94988162461685
CC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc3[nH]c(C(F)(F)F)nc3c2)cc1,C36354471_decoy,PA2GA,Decoy,0,-11.1254,-8.44,-2.37,-9.003390526824733
CC(=O)Nc1cccc([N-]S(=O)(=O)CCNC(=O)c2cccs2)c1,C62066342_decoy,PA2GA,Decoy,0,-9.4219,-8.55,-1.75,-12.73536753085748
CC(=O)Nc1cccc([N-]S(=O)(=O)CCNC(=O)[C@@H](C)C2CC2)c1,C62216329_decoy,PA2GA,Decoy,0,-9.22026,-7.35,-0.94,-8.055719015361978
Cc1cccc(C(N)=O)c1[N-]S(=O)(=O)c1ccc(F)c(S(C)(=O)=O)c1,C63150643_decoy,PA2GA,Decoy,0,-10.8765,-8.93,-2.0,-12.037226670006431
CC(=O)Nc1ccc(F)c(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1,C63733688_decoy,PA2GA,Decoy,0,-9.07523,-8.59,-0.86,-8.7040767243377
Cc1ccc([N-]S(=O)(=O)C2=CN=C([C@H]3NN[C@H](c4ccccc4)O3)C2)cc1,C64612893_decoy,PA2GA,Decoy,0,-10.15,-7.71,-2.87,-9.01641350600145
O=C(Nc1ccn[nH]1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1,C66457106_decoy,PA2GA,Decoy,0,-8.11054,-8.31,-1.0,-7.595724777999961
Cc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)cc1C(=O)NC(C)C,C66585552_decoy,PA2GA,Decoy,0,-9.17225,-6.41,-1.76,-6.623048955141002
Cc1ccsc1C(=O)NNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl,C66588672_decoy,PA2GA,Decoy,0,-11.2589,-9.61,-1.69,-9.882068796631936
Cc1cccc(C(=O)NNS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1,C66589027_decoy,PA2GA,Decoy,0,-10.1066,-9.64,-1.55,-13.404514340504806
Cc1ccsc1C(=O)NNC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O,C66783527_decoy,PA2GA,Decoy,0,-11.5,-7.34,-0.87,-8.731883513084917
Cn1cc(S(=O)(=O)[N-]c2ccc(F)c(C(F)(F)F)c2)cc1C(N)=O,C67124847_decoy,PA2GA,Decoy,0,-7.9779,-7.16,-1.55,-7.719471348266368
CC(=O)N[C@@H](C/C([O-])=N/c1nc(-c2cccs2)n[nH]1)c1c(F)cccc1F,C67152494_decoy,PA2GA,Decoy,0,-12.8705,-9.01,-3.37,-11.12350630590774
Cc1c(CCC(=O)NCC(=O)[O-])c(=O)oc2cc(O)c(Cl)cc12,C02125904_decoy,PA2GA,Decoy,0,-9.76738,-7.23,-3.04,-7.609192648284138
COc1ccc(NC(C)=O)cc1NC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-],C06847306_decoy,PA2GA,Decoy,0,-10.119,-8.19,-1.97,-10.759534842897732
O=C(CN1C(=O)NC2(CCCC2)C1=O)NCc1ccc(C(=O)[O-])cc1,C13092185_decoy,PA2GA,Decoy,0,-8.56186,-7.61,-2.5,-6.306007306068722
O=C([O-])CNC(=O)c1ccc(NC(=O)/C=C/c2ccccc2F)cc1,C13180903_decoy,PA2GA,Decoy,0,-8.62319,-7.66,-1.16,-7.553648951109554
CCCNC(=O)[C@H](C)NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1,C13198517_decoy,PA2GA,Decoy,0,-9.03356,-7.62,-2.21,-8.853430029142352
CC(C)(C)c1nnc(SCC(=O)N2CCC(C(=O)[O-])CC2)n1N,C13218378_decoy,PA2GA,Decoy,0,-9.77581,-8.16,-1.52,-10.255703472335991
O=C(CC1(C(=O)[O-])CCCC1)NNC(=O)c1ccc2c(c1)OCO2,C13250899_decoy,PA2GA,Decoy,0,-10.0882,-5.7,-0.64,-6.388853442541254
O=C(CC1(C(=O)[O-])CCCCC1)NNC(=O)c1ccc2c(c1)OCO2,C13250901_decoy,PA2GA,Decoy,0,-10.3011,-8.14,-1.45,-8.958532053659217
CNS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1,C13253880_decoy,PA2GA,Decoy,0,-9.00506,-6.9,-1.57,-6.4043069337642775
C[C@@H]1CCc2c(sc3ncnc(NCC(=O)NCC(=O)[O-])c23)C1,C20311590_decoy,PA2GA,Decoy,0,-11.487,-8.23,-2.2,-13.666633628447313
NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)nc2)cc1,C23144567_decoy,PA2GA,Decoy,0,-11.4299,-5.71,-1.51,-6.510611205281054
COc1ccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)cn1,C23391015_decoy,PA2GA,Decoy,0,-9.03943,-7.89,-0.68,-7.845937615302742
CC1(C)C[C@@](CCNC(=O)Nc2nnn[n-]2)(c2ccccc2)CCO1,C23505966_decoy,PA2GA,Decoy,0,-8.28497,-8.36,-3.35,-9.519639945370042
CS(=O)(=O)Nc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1,C23625745_decoy,PA2GA,Decoy,0,-8.14611,-7.14,-1.06,-5.955827995192688
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)[N-]c1ccc(C(N)=O)cc1,C32585869_decoy,PA2GA,Decoy,0,-9.04545,-7.63,-2.62,-8.716789633160579
O=C(Nc1cccc(C(=O)NC2CC2)c1)c1cccc(-c2nnn[n-]2)c1,C35354942_decoy,PA2GA,Decoy,0,-9.07431,-7.83,-0.58,-9.496288797267304
CC(C)C[C@H](NS(C)(=O)=O)C(=O)Nc1ccc(C(=O)[O-])s1,C35425627_decoy,PA2GA,Decoy,0,-11.1954,-5.92,,99.0
C[C@@H](O)CNS(=O)(=O)c1cc(C(=O)[O-])sc1Br,C35600768_decoy,PA2GA,Decoy,0,-10.3623,-5.98,-0.93,-8.067725113372978
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NCc1ccc([N+](=O)[O-])cc1,C35610504_decoy,PA2GA,Decoy,0,-7.64615,-10.01,-2.51,-7.768904539527895
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(N)=O)cc2)cc1[N+](=O)[O-],C04697860_decoy,PA2GA,Decoy,0,-7.94354,-7.19,-2.06,-6.665833519614975
NC(=O)C[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S,C39862003_decoy,PA2GA,Decoy,0,-10.8486,-7.5,-2.21,-10.674712762407044
NC(=O)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccccc2Cl)SC1=S,C39862004_decoy,PA2GA,Decoy,0,-10.9339,-7.44,-2.4,-10.634555242187757
O=C(C1=C([O-])C(=O)N(CCCO)[C@H]1c1ccc(O)cc1)c1ccco1,C40046456_decoy,PA2GA,Decoy,0,-9.00074,-7.2,-2.0,-8.333964183138983
CC(C)CC(=O)C1=C([O-])C(=O)N(CCCO)[C@@H]1c1ccc(O)cc1,C40358530_decoy,PA2GA,Decoy,0,-9.57012,-8.12,-3.28,-10.136345217782631
CC(C)C[C@@H](CO)NC(=O)Cc1csc([N-]S(C)(=O)=O)n1,C40792198_decoy,PA2GA,Decoy,0,-9.9945,-6.73,-1.48,-9.088835390448558
COc1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1NC(C)=O,C44830301_decoy,PA2GA,Decoy,0,-9.98557,-6.83,-2.7,-7.261303639675792
Cc1cc(S(=O)(=O)NNC(=O)c2cccn2C)sc1C(=O)[O-],C45774472_decoy,PA2GA,Decoy,0,-10.4821,-7.82,-0.97,-9.08376018915387
CC(C)N(C)S(=O)(=O)[N-]c1cc(S(N)(=O)=O)ccc1Cl,C49042894_decoy,PA2GA,Decoy,0,-9.6993,-7.69,-0.84,-8.152451727095562
CSCC[C@@H](NC(=O)Nc1nc(C(C)(C)C)cs1)C(=O)[O-],C49500266_decoy,PA2GA,Decoy,0,-11.8899,-4.88,-2.18,-7.266819892631647
CCNc1ncc(Br)cc1C(=O)N[C@H](C)c1nnn[n-]1,C50778875_decoy,PA2GA,Decoy,0,-8.79045,-7.34,-1.74,-11.680002807175656
CC(C)N/C([O-])=C(\C#N)C(=O)c1cccc(NC(=O)[C@H]2CCCO2)c1,C50984477_decoy,PA2GA,Decoy,0,-9.81799,-7.06,-0.61,-9.321366816269334
CC(C)=N/N=C1/NC(=O)[C@H](CC(=O)Nc2ccc(C(=O)[O-])cc2)S1,C04679774_decoy,PA2GA,Decoy,0,-9.12414,-7.66,-3.98,-8.598994138507551
CC(=O)Nc1ccc(N/C([O-])=C(\C#N)C(=O)/C=C\c2ccco2)cc1,C51429124_decoy,PA2GA,Decoy,0,-8.80773,-8.2,-2.59,-6.783826818403044
CCOc1cccc(/C=N\n2c([S-])nnc2-c2cc(C)n[nH]2)c1O,C01298110_decoy,PA2GA,Decoy,0,-9.57339,-7.92,-1.16,-7.566242415617861
C[C@H]1CN(/C([O-])=C(\C#N)C(=O)CNC(=O)NC2CCCCC2)C[C@H](C)O1,C54807325_decoy,PA2GA,Decoy,0,-9.47611,-8.64,-2.28,-7.747888537115383
Cc1csc(CNC(=O)c2cc([N-]S(C)(=O)=O)ccc2O)n1,C55161035_decoy,PA2GA,Decoy,0,-9.62366,-6.95,-3.67,-9.47659415977314
CC[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])oc1Br,C55313453_decoy,PA2GA,Decoy,0,-9.45945,-6.15,-1.86,-9.274083356148562
COCCCCNC(=O)N[C@@H](C)c1cccc([N-]S(C)(=O)=O)c1,C56918365_decoy,PA2GA,Decoy,0,-9.6084,-6.88,-2.97,-8.557475469500204
C=CCn1c([S-])nc2cc(C(=O)NCCNC(C)=O)ccc2c1=O,C36620255_decoy,PA2GA,Decoy,0,-10.3899,-6.98,-2.71,-8.046070939530258
O=C([O-])Cc1csc(N2C(=O)C[C@H](Nc3ccc(O)cc3)C2=O)n1,C16902232_decoy1,PA2GA,Decoy,0,-11.2962,-8.89,,-7.995666335023005
O=C(Nc1ccc(/C([O-])=N/c2nc(-c3ccccn3)n[nH]2)cc1)C1CC1,C47343286_decoy,PA2GA,Decoy,0,-8.55984,-7.06,-0.74,-5.178613875204891
CCNC(=O)CNC(=O)c1ccc(Cl)c([N-]S(C)(=O)=O)c1,C61366724_decoy,PA2GA,Decoy,0,-9.24133,-6.02,-2.35,-7.556935403231828
CS(=O)(=O)CCS(=O)(=O)[N-]c1ccc(C(F)(F)F)cc1N,C63141954_decoy,PA2GA,Decoy,0,-8.67054,-6.4,-0.56,-5.946875706744373
CS(=O)(=O)CCS(=O)(=O)[N-]c1ccc(Br)cc1N,C63141989_decoy,PA2GA,Decoy,0,-10.6027,-6.94,-0.81,-10.368982421970196
O=C([O-])Cc1csc(N2C(=O)C[C@@H](Nc3ccc(O)cc3)C2=O)n1,C16902232_decoy2,PA2GA,Decoy,0,-11.7021,-8.07,,-6.9404647097994046
C=CCNC(=O)/C(C#N)=C(/[O-])c1ccc2c(=O)n(CC)c(=O)[nH]c2c1,C66508332_decoy,PA2GA,Decoy,0,-6.75968,-8.2,-1.88,-6.252273031680202
CC(C)CCC(=O)NNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1,C66790669_decoy,PA2GA,Decoy,0,-9.52954,-7.26,-3.41,-8.624484461364363
CSc1nc([O-])c(C(=O)N[C@@H](C)C(=O)NC(C)(C)C)cc1C#N,C66923853_decoy,PA2GA,Decoy,0,-9.87596,-6.5,-1.71,-7.577630260130581
CCn1c(CCNC(=O)Cc2sc([S-])nc2C)n[nH]c1=S,C67077111_decoy,PA2GA,Decoy,0,-11.7752,-7.16,-0.88,-8.818301668544121
Cc1noc(CCCNC(=O)c2ccc3c([O-])[nH]c(=S)nc3c2)n1,C67178199_decoy,PA2GA,Decoy,0,-9.86057,-8.2,-1.43,-8.64789194523211
Cc1c(CC(=O)NCC2CCC(C(=O)[O-])CC2)c(=O)oc2c(C)c(O)ccc12,C02153966_decoy,PA2GA,Decoy,0,-10.4575,-8.49,-1.23,-8.156701129558183
O=C(Nc1nccs1)c1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1,C04977996_decoy,PA2GA,Decoy,0,-11.516,-6.97,-2.0,-6.6091091467425205
C[C@@H](C(=O)Nc1ccc(C(=O)[O-])c(O)c1)N1C(=O)/C(=C\c2cccs2)SC1=S,C09429174_decoy,PA2GA,Decoy,0,-9.32258,-8.97,-4.33,-8.058182443516989
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1,C13460408_decoy,PA2GA,Decoy,0,-11.1638,-8.3,-4.02,-8.843917258231361
O=C([O-])/C=C\C(=O)Nc1ccc2c(c1)Cc1cc(NC(=O)C(F)(F)F)ccc1-2,C17162350_decoy,PA2GA,Decoy,0,-9.63773,-7.88,-2.61,-7.906766475876306
O=C([O-])c1ccc(/C=N/n2c(-c3cc(-c4ccccc4)[nH]n3)n[nH]c2=S)cc1,C09329143_decoy,PA2GA,Decoy,0,-10.2061,-5.89,-1.07,-6.785579721340001
O=C(NCc1ccco1)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1,C20114591_decoy,PA2GA,Decoy,0,-10.1631,-7.76,-1.95,-7.628291183967066
O=C(Nc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1)c1cccs1,C25209936_decoy,PA2GA,Decoy,0,-11.0671,-8.16,-0.41,-8.59437413142935
O=C(Nc1cccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])c1)c1cccs1,C25209940_decoy,PA2GA,Decoy,0,-10.3545,-9.18,-1.27,-8.745266242675495
Cc1ccc(NS(=O)(=O)CCNC(=O)c2cccnc2[S-])cc1F,C36397593_decoy,PA2GA,Decoy,0,-9.804,-6.52,-0.91,-6.921239643568502
C=C1C=C([O-])N2C(=NC(NC[C@@H]3CCCO3)=N[C@H]2c2ccccc2OC)N1,C20392567_decoy,PA2GA,Decoy,0,-9.29846,-7.56,-1.54,-8.194128890838119
C#CCOc1ccc(Br)cc1[C@H](C1=C(C)N=N[C@@H]1O)c1c(C)n[nH]c1[O-],C39715520_decoy,PA2GA,Decoy,0,-9.05706,-8.44,-1.32,-9.933875747587075
NC(=O)c1ccccc1[N-]C1=NC(=O)/C(=C/c2ccc([N+](=O)[O-])cc2)S1,C39869889_decoy,PA2GA,Decoy,0,-10.4044,-6.55,-2.92,-7.137095383077088
O=C(C1=C([O-])C(=O)N(CCCO)[C@@H]1c1cccc(O)c1)c1ccc(Cl)cc1,C40047566_decoy,PA2GA,Decoy,0,-10.7222,-8.41,-0.88,-12.32669473905156
C[C@@H](Sc1nnc([O-])[nH]c1=O)C(=O)Nc1ccc(Cl)c(C(F)(F)F)c1,C41606065_decoy,PA2GA,Decoy,0,-12.2731,-8.48,-1.74,-9.869046332330354
CC(=O)Nc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)[O-])c(C)cc2C)c1,C42791683_decoy,PA2GA,Decoy,0,-9.39276,-8.77,-1.65,-9.453634165718103
CNC(=O)c1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c(C)c1,C42791837_decoy,PA2GA,Decoy,0,-10.5638,-8.92,-1.65,-10.2745219895435
[H]/N=C(/N=C(\[O-])[C@H](C)N1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1,C05897112_decoy,PA2GA,Decoy,0,-10.1932,-6.62,-2.08,-6.581473504461694
Cc1n[nH]c(-c2ccc(NS(=O)(=O)c3cc(C(=O)[O-])c(C)cc3C)cc2)n1,C50535000_decoy,PA2GA,Decoy,0,-11.1435,-7.77,-2.99,-8.311914237769905
C=C1C=C([O-])N2C(=NC(Nc3ccc(OCC)cc3)=N[C@H]2c2cccnc2)N1,C51249023_decoy,PA2GA,Decoy,0,-8.47846,-6.68,-1.53,-5.35405783430247
CCOC(=O)N(C)c1ccc(NC(=O)c2ccc3c([O-])[nH]c(=S)nc3c2)cc1,C54312272_decoy,PA2GA,Decoy,0,-9.08093,-6.94,-2.54,-6.256376155257523
O=C(Nc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)cc1)c1ccco1,C55372667_decoy,PA2GA,Decoy,0,-9.20821,-8.65,-1.73,-8.135423684703635
CC(C)NC(=O)Nc1ccccc1[N-]S(=O)(=O)c1ccc(Cl)nc1,C55614577_decoy,PA2GA,Decoy,0,-8.48056,-7.14,-2.3,-7.228615952381748
Cc1ccc(S(=O)(=O)[N-]c2cc(C(N)=O)cc(F)c2C)cc1[N+](=O)[O-],C55615067_decoy,PA2GA,Decoy,0,-8.66425,-8.13,-1.64,-8.368697379776691
Cc1ccc(/C=C\S(=O)(=O)[N-]c2cc(F)cc(S(N)(=O)=O)c2)cc1,C55678632_decoy,PA2GA,Decoy,0,-9.66104,-8.41,-2.66,-7.959730963128444
CSCC(=O)NNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1,C28667975_decoy,PA2GA,Decoy,0,-11.5306,-8.06,-0.9,-11.90142092289099
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C(C)C)cc2)cc1,C15756574_decoy,PA2GA,Decoy,0,-8.83792,-7.38,-1.54,-7.032458834851014
Cc1cc([N-]S(=O)(=O)c2ccc(/N=C/c3ccc(O)cc3O)cc2)no1,C59466352_decoy,PA2GA,Decoy,0,-11.9082,-9.51,-3.15,-9.69673550336662
O=C(Nc1ccn[nH]1)c1cccc([N-]S(=O)(=O)c2ccc(Br)cc2)c1,C60063293_decoy,PA2GA,Decoy,0,-9.90869,-8.91,-1.71,-9.17407085045562
Cc1cc([N+](=O)[O-])c(S(=O)(=O)[N-]c2ccc(F)c(C(N)=O)c2)cc1C,C60442732_decoy,PA2GA,Decoy,0,-8.95728,-8.45,-2.16,-8.620248786366805
CC(C)Oc1ccccc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1F,C60443063_decoy,PA2GA,Decoy,0,-8.22205,-7.45,-2.62,-6.9984173182676805
[H]/N=C(\N=C(/[O-])[C@@H](C)N1C(=O)c2ccccc2C1=O)Nc1nc2ccccc2s1,C05898878_decoy,PA2GA,Decoy,0,-10.3626,-8.59,-1.91,-7.836481022938585
O=C(/C=C/c1cc2ccccc2[nH]c1=O)NCCS(=O)(=O)[N-]c1ccccc1,C62216175_decoy,PA2GA,Decoy,0,-10.1512,-7.26,-1.77,-7.5877665514118675
C[C@H](CS(=O)(=O)[N-]c1cccc(F)c1)C(=O)NCCc1ccccc1O,C62282036_decoy,PA2GA,Decoy,0,-10.3865,-8.25,-1.34,-9.75504711198613
CC(=O)NCCC(=O)Nc1c(Br)cc(Br)cc1C(=O)[O-],C62825127_decoy,PA2GA,Decoy,0,-9.93198,-5.65,-2.1,-7.133243192003487
CCc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(S(N)(=O)=O)c2)s1,C62930525_decoy,PA2GA,Decoy,0,-11.6902,-7.8,-0.06,-10.964044342919772
O=C1N=C([N-]NC(=S)Nc2ccccc2)N=C2S[C@@H]3CCCCC3=C12,C39729647_decoy,PA2GA,Decoy,0,-9.70588,-7.79,-1.06,-8.884402171694658
O=C(NCCc1nccs1)Nc1cc(Br)ccc1C(=O)[O-],C63136451_decoy,PA2GA,Decoy,0,-10.7227,-7.84,-2.83,-9.399417132083892
CCCS(=O)(=O)[N-]c1cccc(C(=O)NC2CCC(C(=O)NC)CC2)c1,C63259647_decoy,PA2GA,Decoy,0,-10.2516,-8.49,-2.76,-8.991065305860147
O=S(=O)([N-]c1cccc(Cl)c1)C1=CN=C([C@@H]2NN[C@@H](c3ccc(F)cc3)O2)C1,C64612979_decoy,PA2GA,Decoy,0,-11.8726,-9.96,-2.01,-11.831494681825928
COC(=O)c1cccc(NC(=O)c2c([O-])c3c(C)c(C(C)=O)sc3[nH]c2=O)c1,C65150543_decoy,PA2GA,Decoy,0,-9.76191,-8.38,-1.81,-7.142073517242976
Cc1csc(CCCCNC(=O)c2ccc3c([O-])[nH]c(=S)nc3c2)n1,C66143807_decoy,PA2GA,Decoy,0,-10.9375,-8.36,-1.78,-10.30838166996874
C[C@H](NC(=O)C1CCC1)/C([O-])=C(/C#N)C(=O)Nc1ccc(Cl)cc1Cl,C66230809_decoy,PA2GA,Decoy,0,-10.7429,-6.31,-2.88,-7.676312181981715
C[C@@H](NC(=O)C1CCC1)/C([O-])=C(\C#N)C(=O)Nc1cc(Cl)cc(Cl)c1,C66230819_decoy,PA2GA,Decoy,0,-10.0945,-8.16,-1.46,-11.245676021019468
Cc1cc(C)cc(-n2nc(C)cc2[N-]S(=O)(=O)c2ccc(C(N)=O)cc2)c1,C66248222_decoy,PA2GA,Decoy,0,-8.71095,-9.32,-2.56,-8.109197747057872
NC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(-n3cccn3)c(Cl)c2)cc1,C66585739_decoy,PA2GA,Decoy,0,-8.65691,-7.47,-2.15,-6.515903850952558
C=CCn1c([S-])nnc1-c1sc(NC(=O)c2cccc3cn[nH]c23)nc1C,C66621221_decoy,PA2GA,Decoy,0,-12.3271,-7.28,-2.89,-7.327805079967921
CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2cccc3nsnc23)c1,C67124409_decoy,PA2GA,Decoy,0,-11.2563,-8.05,-1.53,-9.896364286568476
CCc1ccc([N-]S(=O)(=O)c2ccc(C)c(F)c2)cc1S(N)(=O)=O,C67124656_decoy,PA2GA,Decoy,0,-10.9684,-8.45,-2.09,-10.051115776584346
C[C@H](NC(=O)N[C@@H]1C[C@@H]1c1ccccc1)c1cccc([N-]S(C)(=O)=O)c1,C67619187_decoy,PA2GA,Decoy,0,-9.93441,-7.65,-2.77,-9.284713576720394
O=C([O-])C(=O)/C=C(\N/N=C1\C(=O)Nc2ccc(Br)cc21)c1ccccc1,C06041688_decoy,PA2GA,Decoy,0,-10.9266,-6.26,-2.66,-7.252473178007903
O=C(Nc1ccc(S(=O)(=O)Nc2nccs2)cc1)[C@H]1CCCC[C@H]1C(=O)[O-],C04877552_decoy,PA2GA,Decoy,0,-11.7214,-6.52,-0.36,-8.067445803674516
C/C(=N\NC(=O)c1ccc(C(C)(C)C)cc1)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1,C13061040_decoy,PA2GA,Decoy,0,-9.54472,-8.49,-4.04,-8.825178995333395
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)n2)s1,C13093447_decoy,PA2GA,Decoy,0,-11.9732,-9.19,-2.86,-9.754952994645286
CNC(=O)c1ccc(S(=O)(=O)Nc2ccc(Br)cc2C(=O)[O-])cc1,C13239739_decoy,PA2GA,Decoy,0,-10.6292,-7.66,-1.67,-7.205412861208011
C/C(=N\NC(=S)NC1CCCCC1)c1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)[O-])cc1,C13264200_decoy,PA2GA,Decoy,0,-12.8645,-8.72,-1.18,-8.869758848239199
O=C([O-])c1cc(S(=O)(=O)NNC(=O)C23CC4CC(CC(C4)C2)C3)ccc1Cl,C13346940_decoy,PA2GA,Decoy,0,-11.5493,-9.45,-1.95,-13.016100019536385
Cc1c(C(=O)NNS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)oc2ccccc12,C13347393_decoy,PA2GA,Decoy,0,-8.55965,-5.25,-1.36,-4.820945639438435
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc(Br)cc2)cc1C(=O)[O-],C13348643_decoy,PA2GA,Decoy,0,-11.2345,-9.26,-1.71,-13.396193441681229
O=C([O-])CNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(Cl)c(C(F)(F)F)c2)cc1,C13393620_decoy,PA2GA,Decoy,0,-11.1489,-7.98,-3.84,-9.32611470931998
O=C(Nc1ccccc1F)c1ccsc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C17081836_decoy,PA2GA,Decoy,0,-12.2287,-8.79,-2.66,-12.780300264529483
C[C@H]1CCc2c(sc(NC(=O)[C@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)c2C(=O)NC2CC2)C1,C17089994_decoy,PA2GA,Decoy,0,-11.421,-5.57,-2.02,-5.882965654750644
O=C(NC1CCCC1)c1c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCCC2,C17090754_decoy,PA2GA,Decoy,0,-10.0996,-8.56,-1.74,-9.774836473793798
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])sc2c1CCCC2,C17090755_decoy,PA2GA,Decoy,0,-12.3149,-7.07,-0.89,-9.172661184904271
CCCCNC(=O)c1c[nH]c2ccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)cc2c1=O,C20211819_decoy,PA2GA,Decoy,0,-10.8663,-8.66,-1.03,-9.6996208586705
O=C(NCCNC(=O)c1ccccc1I)c1nc([O-])c2ccccc2n1,C22470333_decoy,PA2GA,Decoy,0,-9.90934,-7.81,-1.75,-7.645988255455808
CNC(=O)c1cccc(NC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1,C25082707_decoy,PA2GA,Decoy,0,-10.5268,-7.58,-1.49,-7.59986842424948
CCN(CC)c1ccc([C@H]2C/C(=C3/C(=O)N(c4cccc(Cl)c4)C(=O)N=C3[O-])NN2)cc1,C26599700_decoy,PA2GA,Decoy,0,-11.4339,-8.77,-1.53,-8.276783366574927
O=C(C[C@@H]1S/C(=N/N=C2CCCCCCC2)NC1=O)Nc1ccc(C(=O)[O-])cc1,C28050043_decoy,PA2GA,Decoy,0,-11.1989,-8.73,-1.2,-7.986030836944851
O=C(C[C@H]1S/C(=N/N=C2CCCCCCC2)NC1=O)Nc1ccc(C(=O)[O-])cc1,C28050045_decoy,PA2GA,Decoy,0,-9.63054,-7.08,-2.02,-5.864600966829912
O=C(NC1CCCCC1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCC2,C17090768_decoy,PA2GA,Decoy,0,-10.233,-6.93,,99.0
NC(=O)c1ccc(CN(C(=O)Cn2c([S-])nnc2-c2ccc(Cl)cc2)C2CC2)cc1,C31175702_decoy,PA2GA,Decoy,0,-10.3745,-7.9,-2.59,-10.016637192685938
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3ccc(S(N)(=O)=O)cc3)[C@H]2c2ccc(F)cc2)cc1,C01220721_decoy,PA2GA,Decoy,0,-10.8007,-8.6,-1.52,-8.200649286087454
CC(=O)NCCc1c(/C=C2/C(=O)N(c3ccc(C)cc3)C(=S)N=C2[O-])[nH]c2ccccc12,C01262495_decoy,PA2GA,Decoy,0,-10.1626,-6.83,-2.09,-6.9223611953488025
Cc1sc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)c(C(=O)NC2CCCC2)c1C,C35897781_decoy,PA2GA,Decoy,0,-10.1283,-7.44,-1.98,-9.61218665142592
C[C@H](Sc1nc(Cl)nc2nc[n-]c12)C(=O)NCCc1c[nH]c2ccc(F)cc12,C13549032_decoy,PA2GA,Decoy,0,-11.5433,-8.32,-2.22,-12.38485655360525
O=C(NC(=S)Nc1ccc(Cl)c(C(=O)[O-])c1)c1cncc(Br)c1,C15856740_decoy,PA2GA,Decoy,0,-11.4969,-6.63,-4.13,-8.268731260395676
O=C(NC1CC1)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@@H]2C(=O)[O-])sc2c1CCCC2,C17090760_decoy,PA2GA,Decoy,0,-11.5084,-6.7,-1.82,-8.04841178408322
O=C(NC1CCCC1)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc2c1CCC2,C17082911_decoy,PA2GA,Decoy,0,-12.4575,-6.35,-1.38,-9.115887285028128
O=C(Nc1cccc2cn[nH]c12)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1,C39555314_decoy,PA2GA,Decoy,0,-9.44522,-10.1,-1.62,-8.593870339720452
N#CC(=C\c1ccc(-c2ccc(S(N)(=O)=O)cc2)o1)/C([O-])=N/c1nccs1,C39998063_decoy,PA2GA,Decoy,0,-11.9432,-7.15,-3.73,-7.292056186727097
NS(=O)(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1,C40217355_decoy,PA2GA,Decoy,0,-11.2181,-7.09,-3.01,-8.716193556060489
CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCO)cc1OC,C39897940_decoy,PA2GA,Decoy,0,-12.1451,-7.66,-1.94,-10.397583051272582
O=C1c2n[nH]c(-c3cc(Cl)ccc3[O-])c2[C@H](c2ccccc2F)N1CCCO,C39898080_decoy,PA2GA,Decoy,0,-11.5261,-8.75,-1.49,-9.70268656308992
O=C(CN1C(=O)/C(=C/c2c[nH]c3ccccc23)SC1=S)Nc1ccc(C(=O)[O-])cc1,C15036099_decoy,PA2GA,Decoy,0,-10.7303,-9.77,-1.86,-10.943929001175874
O=C(N[C@]1(C(F)(F)F)C(=O)N=C2C1=C([O-])NC(=S)N2Cc1ccco1)c1ccc(F)cc1,C13556990_decoy,PA2GA,Decoy,0,-9.46533,-5.75,-2.55,-5.582496157706115
O=C(C[C@H]1S/C(=N\N=C2/CCCc3ccccc32)NC1=O)Nc1ccc(C(=O)[O-])cc1,C09763091_decoy,PA2GA,Decoy,0,-9.20552,-8.44,-2.71,-8.03990789380829
NC(=O)C1CCN(C(=O)c2cccc(S(=O)(=O)[N-]c3ccc(SC(F)F)cc3)c2)CC1,C57383036_decoy,PA2GA,Decoy,0,-9.5061,-10.16,-2.4,-8.609263577391589
Cc1cc(NC(=O)c2ccco2)sc1C(=O)N[C@H](C)c1ccccc1[N-]S(C)(=O)=O,C58912384_decoy,PA2GA,Decoy,0,-10.129,-8.09,-3.1,-8.561481959273076
C=CCNC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2,C47328674_decoy,PA2GA,Decoy,0,-10.3703,-8.41,-2.45,-9.085910040252616
C[C@H](NC(=O)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc12)[C@@H]1CCCO1,C13006735_decoy,PA2GA,Decoy,0,-11.1496,-6.27,-2.09,-6.4585711844192994
COCCCN1C(=O)N=C([O-])/C(=C2\C[C@@H](c3c(Cl)cccc3Cl)NN2)C1=O,C17027987_decoy2,PA2GA,Decoy,0,-9.79467,-5.14,,-5.974741812371901
COc1cc([C@@H]2CC(=O)Nc3c(C(=O)[O-])cn(-c4ccc(F)cc4)c32)cc(OC)c1O,C40287482_decoy,PA2GA,Decoy,0,-9.88932,-5.43,-2.6,-6.369842721997512
C[C@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)N1C(=O)/C(=C\c2ccco2)SC1=S,C33585270_decoy,PA2GA,Decoy,0,-11.946,-9.38,-1.99,-11.442403058462912
O=C(CCN1C(=O)/C(=C\c2ccccc2)SC1=S)Nc1ccc(C(=O)[O-])c(O)c1,C33545824_decoy,PA2GA,Decoy,0,-11.4178,-7.82,-3.57,-9.831007343414068
O=C1N=C([O-])N(Cc2ccc(F)cc2)C(=O)/C1=C/NNc1cccc2ccccc12,C05218449_decoy,PA2GA,Decoy,0,-10.1324,-8.59,,99.0
Cc1cc(/C=C2\SC([N-]c3ccccc3)=NC2=O)c(C)n1-c1ccc(S(N)(=O)=O)cc1,C18254848_decoy,PA2GA,Decoy,0,-12.4479,-9.74,-0.95,-8.78083467500204
Cc1ccc([N-]S(=O)(=O)C2=CN=C([C@H]3NN[C@H](c4ccccc4)O3)C2)c(Cl)c1,C64612781_decoy,PA2GA,Decoy,0,-9.67917,-7.7,-1.81,-9.967697567706878
COc1ccccc1[N-]S(=O)(=O)C1=CN=C([C@H]2NN[C@H](c3ccccc3)O2)C1,C64612922_decoy,PA2GA,Decoy,0,-9.89925,-7.57,-1.37,-8.00582226904803
COc1ccc([N-]S(=O)(=O)C2=CN=C([C@@H]3NN[C@@H](c4ccc(F)cc4)O3)C2)cc1,C64612960_decoy,PA2GA,Decoy,0,-11.5908,-9.04,-2.41,-8.901606906317504
O=C(Nc1nccs1)c1ccc(NC(=O)[C@H]2CCCC[C@H]2C(=O)[O-])cc1,C01145108_decoy,PA2GA,Decoy,0,-10.8261,-6.85,-1.57,-8.2046838137401
CC(C)C[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S,C05371268_decoy,PA2GA,Decoy,0,-11.6384,-7.42,-1.84,-9.621698762360603
O=C(Nc1cccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1)c1ccco1,C12744662_decoy,PA2GA,Decoy,0,-9.42233,-7.65,-0.73,-7.512686346755859
Cc1ccc(C[NH2+][C@H](c2ccc3c(c2)OCCO3)P(=O)([O-])[O-])cc1,C12997555_decoy,PA2GA,Decoy,0,-6.99768,-5.4,-0.83,-4.335243213098488
CC(C)NS(=O)(=O)c1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1,C13253865_decoy,PA2GA,Decoy,0,-11.0656,-6.59,-1.67,-7.104023907048625
O=C(CC1(C(=O)[O-])CCCC1)NNC(=O)c1ccccc1-n1cccc1,C13255275_decoy,PA2GA,Decoy,0,-11.0038,-7.15,-2.06,-10.301206546349556
Cc1ccc([C@@H](CC(=O)[O-])NC(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)cc1,C13258359_decoy,PA2GA,Decoy,0,-9.0948,-6.89,-2.79,-7.054165084266822
CC[C@H](C)[C@@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(O)c(O)c2)SC1=S,C16935292_decoy,PA2GA,Decoy,0,-11.626,-6.63,-1.85,-8.761987572096457
O=C(Nc1ccccc1)c1ccsc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-],C17075878_decoy,PA2GA,Decoy,0,-11.6059,-7.4,-3.76,-11.36041775689125
O=C(NC1CC1)c1c(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])sc2c1CCC2,C17076638_decoy,PA2GA,Decoy,0,-10.2193,-8.16,-0.94,-10.25886840956978
O=C(NC1CC1)c1c(NC(=O)[C@@H]2[C@H](C(=O)[O-])[C@H]3C=C[C@@H]2CC3)sc2c1CCC2,C17081924_decoy,PA2GA,Decoy,0,-10.404,-6.38,-1.63,-7.362169032751442
COc1cccc([C@H](c2c([O-])nc(=S)[nH]c2[O-])[NH+]2CCCC2)c1OC,C20156096_decoy,PA2GA,Decoy,0,-9.19315,-4.27,-1.09,-6.0151889283412165
Cc1cc(O)c2c(C)c(CC(=O)NCC3CCC(C(=O)[O-])CC3)c(=O)oc2c1,C20412585_decoy,PA2GA,Decoy,0,-9.38742,-9.35,-1.41,-10.730296952616884
Cc1cc(O)c2c(C)c(CC(=O)N[C@@H](CC(C)C)C(=O)[O-])c(=O)oc2c1,C20609895_decoy,PA2GA,Decoy,0,-10.0618,-7.73,-1.47,-9.472098401566594
O=C(Nc1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1)c1ccco1,C23625672_decoy,PA2GA,Decoy,0,-10.3875,-7.56,-4.35,-10.03243469917051
CCCc1nnc([S-])n1CC(=O)N(Cc1ccc(C(N)=O)cc1)C1CC1,C31175704_decoy,PA2GA,Decoy,0,-10.9379,-7.36,-1.29,-10.176548767148818
O=C(Nc1ccc2[nH]cc([C@H](C(=O)[O-])N3CCOCC3)c2c1)c1ccccc1,C31807340_decoy,PA2GA,Decoy,0,-9.55917,-6.61,-1.52,-5.962326988494569
CCCS(=O)(=O)[N-]c1ccc(S(N)(=O)=O)c(Br)c1,C34959310_decoy,PA2GA,Decoy,0,-9.36498,-7.16,-1.37,-7.879083245752191
CCC/C=C/C=C/C1=C(CO)[C@@H](O)[C@@H]2O[C@]2(C/C=C(\C)C(=O)[O-])C1=O,C35270757_decoy,PA2GA,Decoy,0,-11.4282,-5.19,-2.65,-5.704273035787016
C[C@@H](O)CNS(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F,C35600794_decoy,PA2GA,Decoy,0,-9.38947,-6.63,-1.53,-7.903414753149919
C=C1C=C([O-])N2C(=NC(NC[C@H]3CCCO3)=N[C@@H]2c2ccc(SC)cc2)N1,C20392591_decoy,PA2GA,Decoy,0,-10.0382,-6.53,-1.72,-6.28969142153081
O=C(CNC(=O)c1ccc(Br)o1)Nc1sccc1C(=O)[O-],C37450640_decoy,PA2GA,Decoy,0,-8.79651,-6.48,-2.33,-6.335443332088848
O=C(Nc1nccs1)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1,C01148091_decoy,PA2GA,Decoy,0,-10.9804,-5.9,-3.95,-7.782060693998376
O=C([O-])C[C@H]1S[C@H](N/N=C/c2ccc(Br)cc2)NC1=O,C03909464_decoy,PA2GA,Decoy,0,-11.5673,-5.32,-1.63,-5.81890979389236
CNS(=O)(=O)c1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)cc1,C39679278_decoy,PA2GA,Decoy,0,-11.1824,-5.78,-3.91,-7.555814759273862
Cc1ccccc1-c1nc2scc(C(=O)[O-])c2c(=O)n1C[C@H](O)CO,C40694565_decoy,PA2GA,Decoy,0,-11.5034,-7.79,-0.96,-11.32802123577916
Cc1c(C(=O)[O-])sc2nc(SCC(N)=O)n(C3CCCCC3)c(=O)c12,C36646100_decoy,PA2GA,Decoy,0,-12.3296,-7.59,-0.72,-17.046170854466986
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])c1,C48383609_decoy,PA2GA,Decoy,0,-11.9036,-7.38,-2.1,-11.256294254428328
CNC(=O)[C@@H](C)NS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl,C48445723_decoy,PA2GA,Decoy,0,-10.7599,-7.52,-1.51,-13.78921464726622
CC(C)N(C)S(=O)(=O)[N-]c1c(Cl)cc(S(N)(=O)=O)cc1Cl,C49042923_decoy,PA2GA,Decoy,0,-11.6342,-7.27,-2.64,-9.510900123623982
CC(C)NC(=O)c1ccc(Cl)cc1NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-],C55150212_decoy,PA2GA,Decoy,0,-10.1805,-8.28,-1.5,-13.273444113617886
O=C(NC1CCCC1)c1ccc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])cc1,C55150496_decoy,PA2GA,Decoy,0,-11.5258,-7.93,-0.97,-8.373161073248683
Cc1c([N-]S(=O)(=O)c2ccccc2C(F)(F)F)cccc1S(N)(=O)=O,C55650729_decoy,PA2GA,Decoy,0,-9.82461,-9.22,-1.47,-14.521408655195115
CC[C@@H](C)N1C(=O)/C(=C/Nc2ccc(C(=O)[O-])cc2)C(=O)NC1=S,C20291736_decoy,PA2GA,Decoy,0,-9.3193,-7.74,-1.15,-8.715747238958624
C[C@H](Cc1ccsc1)NC(=O)NCc1ccccc1[N-]S(C)(=O)=O,C50112281_decoy,PA2GA,Decoy,0,-10.5732,-6.91,-3.12,-9.14299872892769
NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c1,C60184775_decoy,PA2GA,Decoy,0,-10.6485,-5.98,-1.57,-6.797356762065547
CC[C@H](C(N)=O)S(=O)(=O)c1cc(Br)cc(C(=O)[O-])c1F,C61677971_decoy,PA2GA,Decoy,0,-8.72003,-6.03,-2.0,-7.602201210961221
CC(=O)Nc1cccc([N-]S(=O)(=O)CCC(=O)NCCC(C)C)c1,C62104203_decoy,PA2GA,Decoy,0,-9.36015,-6.94,-1.39,-8.469857248154595
CC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)c1,C63452432_decoy,PA2GA,Decoy,0,-9.52324,-8.66,-0.84,-8.745663756278402
COc1cc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)c(C(N)=O)cc1OC,C63634238_decoy,PA2GA,Decoy,0,-10.6236,-8.04,-2.69,-9.70160479666
CC(=O)Nc1ccc(F)c(NC(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)c1,C64487717_decoy,PA2GA,Decoy,0,-10.6406,-7.72,-2.41,-8.9958438561918
CC(C)CNC(=O)CNC(=O)c1ccc2c([O-])n(C)c(=S)nc2c1,C64499324_decoy,PA2GA,Decoy,0,-10.9153,-8.15,-1.09,-8.400916437518712
Cc1ccc([N-]S(=O)(=O)C2=CN=C([C@@H]3NN[C@@H](c4ccccc4)O3)C2)cc1,C64612894_decoy,PA2GA,Decoy,0,-10.67,-9.55,-2.11,-9.07288024738225
CS(=O)(=O)[N-]c1cccc(C(=O)NCCC(=O)NC2CCCC2)c1,C53321808_decoy,PA2GA,Decoy,0,-9.78796,-8.32,-1.43,-8.723865032810288
CCOC(=O)c1ccc(NC(=O)c2c([O-])c3sccc3[nH]c2=O)cc1,C65215121_decoy,PA2GA,Decoy,0,-9.09995,-5.76,-2.96,-5.857298990771482
C[C@@H](O)CNC(=O)c1c([O-])c2sccc2n(Cc2ccccc2)c1=O,C65215717_decoy,PA2GA,Decoy,0,-10.8245,-8.98,-0.57,-19.82382516940615
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(F)ccc1[N-]S(C)(=O)=O,C65913567_decoy,PA2GA,Decoy,0,-9.73002,-7.96,-1.74,-9.421429245212122
C[C@@H](NC(=O)C1CCC1)/C([O-])=C(\C#N)C(=O)Nc1ccccc1C(F)(F)F,C66230939_decoy,PA2GA,Decoy,0,-10.716,-8.94,-1.51,-13.413758371287717
NC(=O)C1CCN(c2ccccc2[N-]S(=O)(=O)C2CCCCC2)CC1,C66584463_decoy,PA2GA,Decoy,0,-9.16135,-7.6,-2.67,-7.932462135025649
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NCc2cc(F)ccc2F)c1,C67072429_decoy,PA2GA,Decoy,0,-10.0135,-7.67,-3.61,-8.608195575372932
CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ncc(C)s1,C00899183_decoy,PA2GA,Decoy,0,-13.8815,-9.23,-2.06,-9.850854158413334
COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(NC(=O)C2CCC2)c1,C04562574_decoy,PA2GA,Decoy,0,-8.68433,-8.02,-1.04,-7.525752392386394
CC[C@@H](C)NC(=O)c1ccccc1NC(=O)CN(c1cccc(F)c1)S(C)(=O)=O,C00665681_decoy,PA2GA,Decoy,0,-10.7821,-7.74,-2.75,-10.918752349399284
Cc1ccc(S(=O)(=O)NCCC(=O)N(C)CC(=O)Nc2cccc(C)c2C)cc1,C08413914_decoy,PA2GA,Decoy,0,-9.47128,-8.73,-2.81,-11.186907397796777
C=CCNC(=O)[C@H]1CC(=O)N(c2ccc(OCC(=O)Nc3ccc(C)c(Cl)c3)cc2)C1,C09329148_decoy,PA2GA,Decoy,0,-10.5388,-8.51,-3.32,-8.222195919961084
O=C(Nc1cccc(S(=O)(=O)NCc2ccco2)c1)c1cccc(OC(F)F)c1,C09957261_decoy,PA2GA,Decoy,0,-9.734,-8.51,-1.55,-10.922882593581557
CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)Nc2ccc(C(F)(F)F)cc2)c1,C11107491_decoy,PA2GA,Decoy,0,-10.1779,-8.94,-1.06,-8.930203328548096
CSCC[C@@H](NC(C)=O)C(=O)Oc1cc(O)c2c(=O)cc(-c3ccccc3)oc2c1,C02124049_decoy,PA2GA,Decoy,0,-12.0315,-7.21,-3.01,-9.543851372911051
CCN(CC)S(=O)(=O)c1cccc(C(=O)NCC(=O)Nc2ccc(C)c(C)c2)c1,C12765864_decoy,PA2GA,Decoy,0,-9.43426,-7.66,-3.13,-8.353641674403733
CSCC[C@H](NS(=O)(=O)c1ccccc1)C(=O)Nc1ccc2c(c1)OC(F)(F)O2,C12937633_decoy,PA2GA,Decoy,0,-10.8407,-6.77,-1.77,-8.660097714778077
CC(C)[C@H](NC(=O)c1ccccc1F)C(=O)OCC(=O)Nc1ccc(N(C)C)cc1,C07229283_decoy,PA2GA,Decoy,0,-8.96165,-6.83,-2.87,-7.915241847791462
Cc1cc(C)cc(NS(=O)(=O)c2cc(C(=O)NCCCn3ccnc3)ccc2C)c1,C09668797_decoy,PA2GA,Decoy,0,-9.60299,-9.12,-3.51,-8.116204507710583
CSCC[C@H](NC(=O)c1ccc(Cl)c([N+](=O)[O-])c1)C(=O)Nc1cccc(F)c1,C14427642_decoy,PA2GA,Decoy,0,-7.83295,-8.08,-1.72,-7.308841489593519
CCNC(=O)c1cccc(NC(=O)c2cc(S(=O)(=O)N(CC)CC)ccc2Cl)c1,C14573108_decoy,PA2GA,Decoy,0,-11.5987,-8.37,-3.45,-10.176523892535652
CSCC[C@@H](NS(=O)(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc2oc(C)nc2c1,C15545226_decoy,PA2GA,Decoy,0,-12.5761,-7.67,-2.8,-11.432002911373672
CCN(CC)S(=O)(=O)c1ccc(CCC(=O)Nc2ccc(NC(C)=O)cc2)cc1,C18076685_decoy,PA2GA,Decoy,0,-9.73427,-7.57,-1.04,-9.684965250341945
Cc1nc(-c2cccs2)sc1C(=O)OCC(=O)NCC(=O)Nc1ccc(F)c(F)c1,C19352960_decoy,PA2GA,Decoy,0,-11.2896,-7.99,-2.43,-8.91548892753457
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(O)c1,C20267121_decoy,PA2GA,Decoy,0,-10.5991,-8.87,-3.7,-9.147551876755251
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)OCCCO2)C(=O)NCCC1=CCCCC1,C21002892_decoy,PA2GA,Decoy,0,-10.3021,-8.57,-1.53,-8.955615596362478
COC(=O)CSCc1ccc(NC(=O)c2ccc(NC(=O)c3ccco3)cc2)cc1,C21126042_decoy,PA2GA,Decoy,0,-9.86629,-7.04,-2.81,-6.044416913579289
CSCC[C@H](NS(=O)(=O)c1cc(C)ccc1C)C(=O)Nc1ccc2oc(C)nc2c1,C22131576_decoy,PA2GA,Decoy,0,-11.2268,-7.07,-3.52,-8.1270946700375
CC(=O)Nc1ccc(C(=O)OCc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1,C22139779_decoy,PA2GA,Decoy,0,-10.2511,-9.37,-0.82,-9.272262270098857
O=C(NC1CC1)c1ccc(C[NH+](Cc2nc([O-])c3sccc3n2)Cc2ccco2)cc1,C23186248_decoy,PA2GA,Decoy,0,-10.5663,-8.36,-2.69,-11.018352493988427
CC[C@@H](Nc1ncnc2sc(C(=O)NCCN3CCOCC3)c(C)c12)c1cccs1,C23337444_decoy,PA2GA,Decoy,0,-13.3186,-7.36,-0.7,-10.736876781456251
CSc1ccc(NC(=O)COC(=O)c2ccc(NC(=O)c3ccco3)s2)cc1,C23576686_decoy,PA2GA,Decoy,0,-10.5326,-6.04,-1.75,-6.843244265827319
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)OCC(=O)N[C@@H]2CCCc3ccccc32)cc1,C25031795_decoy,PA2GA,Decoy,0,-10.9445,-7.47,-2.85,-7.315845318127763
C[NH+](C)[C@@H](CNC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1)c1ccco1,C12767623_decoy,PA2GA,Decoy,0,-10.247,-9.1,-1.73,-8.963891565027415
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)OCC(=O)N[C@H]2C[C@H]3CC[C@]2(C)C3(C)C)cc1,C36007610_decoy,PA2GA,Decoy,0,-10.474,-7.95,-1.7,-14.025979415916996
C/C(=C/C(=O)C(F)(F)C(F)(F)C(F)(F)F)NNC(=O)c1ccc([N+](=O)[O-])cc1,C08424729_decoy,PA2GA,Decoy,0,-9.7368,-7.51,-3.0,-7.59676236308561
Cc1ccc(C(=O)N[C@@H](C(=O)NCc2ccco2)C2CCN(C(=O)CC(C)(C)C)CC2)cc1,C36213024_decoy,PA2GA,Decoy,0,-9.91309,-8.47,-2.77,-8.933291751820398
COc1ccc(C(=O)N(Cc2ccco2)[C@@H](C(=O)NC(C)(C)C)c2ccc(O)cc2)cc1,C36498059_decoy,PA2GA,Decoy,0,-8.99024,-7.41,-2.12,-12.136922259425551
CN(C)c1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)c2ccc(O)cc2)cc1,C36500419_decoy,PA2GA,Decoy,0,-9.25163,-7.09,-1.81,-8.968679262865999
O=C(CCC(=O)N(CC(=O)NC1CCCCC1)c1ccccc1F)Nc1nccs1,C13501745_decoy,PA2GA,Decoy,0,-11.7139,-8.62,-1.41,-9.887195336600293
Cc1ccc(N(CC(=O)NC2CCCC2)C(=O)CCC(=O)Nc2nccs2)c(C)c1,C13501698_decoy,PA2GA,Decoy,0,-8.49043,-7.93,-2.82,-8.04702258561519
CC(=O)CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@]3(C[C@H](C)CC(C)(C)C3)C2=O)cc1,C08395405_decoy,PA2GA,Decoy,0,-10.7131,-7.76,-2.26,-8.059840292898071
Cc1ccc(S(=O)(=O)N[C@@H](C(=O)OCC(=O)NC2CCC(C)CC2)C(C)C)cc1,C39211126_decoy,PA2GA,Decoy,0,-9.66373,-8.61,-2.09,-12.41449847116048
CCOC(=O)CC1(NC(=O)C[C@@H]2C(=O)NCCN2Cc2cccs2)CCCCC1,C39515388_decoy,PA2GA,Decoy,0,-10.889,-7.67,-0.87,-9.433814509467458
CCN(CC)S(=O)(=O)c1ccc2[nH]c(=O)cc(C(=O)N[C@H](C)CCC(C)C)c2c1,C36661572_decoy,PA2GA,Decoy,0,-9.36066,-7.32,-3.08,-7.943322901026221
CC(C)N(C)S(=O)(=O)c1ccc(NC(=O)NCc2ccc(OC(F)F)cc2)cc1,C40103874_decoy,PA2GA,Decoy,0,-9.44089,-6.03,-1.85,-6.025628587189352
CCOC(=O)c1sc2[nH]c(CN(C[C@H](O)c3ccccc3)C3CC3)nc(=O)c2c1C,C40404762_decoy,PA2GA,Decoy,0,-12.1224,-7.26,-2.46,-8.602597159532847
CCOc1ccc(N2C(=O)/C(=C/Nc3ccc(N(CC)CC)cc3)C(=O)NC2=S)cc1,C13809760_decoy,PA2GA,Decoy,0,-9.48383,-6.96,-2.15,-6.406861162651119
CC[C@]1(c2ccc(Cl)cc2)NC(=O)N(C[C@@H](O)COc2cccc(C(C)=O)c2)C1=O,C24088294_decoy,PA2GA,Decoy,0,-10.3898,-8.99,-1.6,-9.803495192432765
CC(=O)CCc1ccc(OC[C@@H](O)CN2C(=O)N[C@@](C)(c3ccc(C)cc3)C2=O)cc1,C15236262_decoy,PA2GA,Decoy,0,-9.87792,-8.15,-1.7,-9.048877219097822
Cc1ccc([C@@H](OC[C@H](O)CN2C(=O)N[C@](C)(c3ccco3)C2=O)c2ccccc2)cc1,C58322407_decoy,PA2GA,Decoy,0,-9.68079,-7.0,-2.81,-6.729363699018713
CCN(CC)S(=O)(=O)c1ccc(NC)c(NS(=O)(=O)c2ccccc2Cl)c1,C58504449_decoy,PA2GA,Decoy,0,-11.1168,-6.62,-1.17,-9.537223858959957
Cc1nc(CSc2ccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC(C)(C)C)cc2)cs1,C11702360_decoy,PA2GA,Decoy,0,-10.1397,-8.08,-3.72,-7.186393230731206
CC(C)CC(=O)N[C@H](C(=O)N1CCN(CC(=O)Nc2ccc(F)cc2)CC1)C(C)C,C59361999_decoy,PA2GA,Decoy,0,-10.0219,-7.16,-3.96,-8.471648207258712
C=C(Br)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1N,C59928043_decoy,PA2GA,Decoy,0,-12.6818,-7.19,-2.63,-9.91661045312576
C[C@H](CC(=O)Nc1cccc(N2CCCC2)c1)NC(=O)[C@H]1CC(=O)N(CC(F)(F)F)C1,C60360222_decoy,PA2GA,Decoy,0,-11.7194,-8.55,-1.22,-10.333947012815248
CC(C)COC(=O)C[C@H]1C(=O)NCCN1CC(=O)Nc1ccc(Cl)cc1Cl,C66228845_decoy,PA2GA,Decoy,0,-10.0509,-7.39,-2.31,-10.044859341391753
O=C(NC(NC(=O)c1ccccc1)c1ccc([O-])c([N+](=O)[O-])c1)c1ccccc1,C00713389_decoy,PA2GA,Decoy,0,-7.77855,-7.8,-1.3,-6.793186208499056
Cc1ccc(NC(=O)c2cc(NC(=O)/C=C\C(=O)[O-])ccc2N2CCOCC2)cc1,C05931974_decoy,PA2GA,Decoy,0,-10.9762,-8.3,-2.25,-9.403051083702596
O=C(CCN1C(=O)S/C(=C/c2cccc(F)c2)C1=O)Nc1ccc(O)c(C(=O)[O-])c1,C09348559_decoy,PA2GA,Decoy,0,-12.913,-10.08,-2.08,-15.938238654353626
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NC3CC3)c2)cc1,C10518297_decoy,PA2GA,Decoy,0,-9.60042,-8.45,-1.49,-11.736916502156566
Cc1nc(-c2ccc(Cl)cc2)sc1C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],C12322626_decoy,PA2GA,Decoy,0,-10.9712,-7.77,-2.11,-7.282498357005085
O=C([O-])[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(C(F)(F)F)cc1,C13027245_decoy,PA2GA,Decoy,0,-10.3215,-5.14,-1.11,-5.53193697037175
C[C@H](O)Cn1c(SCC(=O)Nc2ccc3c(c2)CCC3)nc2cc(C(=O)[O-])ccc2c1=O,C13051615_decoy,PA2GA,Decoy,0,-11.1867,-8.53,-1.86,-9.740736215637895
CCC(=O)N/N=C(\C)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1,C13058779_decoy,PA2GA,Decoy,0,-10.2545,-7.06,-3.25,-7.714576972575225
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1,C13089147_decoy,PA2GA,Decoy,0,-9.45556,-8.2,-1.73,-7.232910560673936
C[C@@H](c1ccc(S(N)(=O)=O)cc1)N(C)S(=O)(=O)c1ccc(C(=O)[O-])cc1,C13089148_decoy,PA2GA,Decoy,0,-10.354,-7.71,-2.49,-7.663381914217842
COc1cc(/C=C/C(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)ccc1OCC(C)C,C13180738_decoy,PA2GA,Decoy,0,-9.07688,-8.54,-1.6,-10.29111367489717
O=C([O-])CNC(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,C13180888_decoy,PA2GA,Decoy,0,-11.9175,-7.97,-2.92,-9.769592364171288
CNS(=O)(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(Cl)cc2Cl)ccc1C,C13196373_decoy,PA2GA,Decoy,0,-10.7582,-7.86,-1.34,-10.102369914610287
C[C@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1ccc2ccccc2c1,C13211802_decoy,PA2GA,Decoy,0,-9.12774,-8.29,-3.28,-7.96986889601753
O=C(CSc1nnc(NC[C@H]2CCCO2)s1)Nc1ccc(C(=O)[O-])cc1,C13238073_decoy,PA2GA,Decoy,0,-12.5579,-8.56,-0.72,-10.45984128681257
O=C(NCc1csc(-c2ccccc2Cl)n1)N[C@@H](CC(=O)N1CCCC1)C(=O)[O-],C13245418_decoy,PA2GA,Decoy,0,-10.4565,-8.51,-0.89,-13.579319536042451
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cccc(S(=O)(=O)NCc2ccco2)c1,C13250390_decoy,PA2GA,Decoy,0,-10.6744,-8.61,-3.4,-11.77402618828464
O=C(CC1(C(=O)[O-])CCCCC1)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,C13250752_decoy,PA2GA,Decoy,0,-11.8935,-8.6,-2.68,-9.22685367301837
Cc1ccc(S(=O)(=O)NCc2ccc(CS(=O)(=O)NC(C)C)cc2)cc1C(=O)[O-],C13279307_decoy,PA2GA,Decoy,0,-10.424,-7.54,-2.33,-7.325839795551907
O=C([O-])c1csc(S(=O)(=O)Nc2ccccc2C(=O)NC[C@H]2CCCO2)c1,C13302177_decoy,PA2GA,Decoy,0,-11.6026,-7.85,-1.17,-9.896847439894062
O=C([O-])CNC(=O)c1ccc(NS(=O)(=O)c2ccc(Cl)cc2C(F)(F)F)cc1,C13360101_decoy,PA2GA,Decoy,0,-11.7552,-6.61,-1.58,-8.639238457873448
O=C([O-])CNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1,C13393624_decoy,PA2GA,Decoy,0,-9.5689,-7.06,-3.2,-6.602834876784937
O=C([O-])/C=C/c1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2CCCO)cc1,C13410610_decoy,PA2GA,Decoy,0,-10.1616,-7.44,-3.99,-8.699162556350196
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccccc1C(=O)NCc1ccco1,C06268827_decoy,PA2GA,Decoy,0,-9.12978,-8.27,-2.95,-9.210274255990312
O=C(CNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)NCc1ccco1,C22696368_decoy,PA2GA,Decoy,0,-10.1613,-8.78,-1.39,-9.92123995553401
C=CCn1c([S-])nnc1-c1sc(NC(=O)CCNC(=O)C2CCCC2)nc1C,C30603451_decoy,PA2GA,Decoy,0,-13.1513,-7.1,-2.88,-9.339012396351894
O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(F)c(F)c1,C02376978_decoy,PA2GA,Decoy,0,-12.3682,-7.31,-2.65,-7.702539880783048
NC(=O)[C@@H](c1ccccc1)N1CCN(S(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)CC1,C13252347_decoy,PA2GA,Decoy,0,-10.2367,-8.3,-1.69,-8.325292808051493
C=CCN1C(=O)c2ccccc2N[C@@H]1SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1,C39722278_decoy,PA2GA,Decoy,0,-11.132,-8.59,-1.82,-9.627481725497022
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(CCCO)[C@H]3c3cccc(O)c3)oc12,C40053293_decoy,PA2GA,Decoy,0,-10.3677,-8.01,-1.35,-8.427947030431868
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2cccc(O)c2)cc1,C40079096_decoy,PA2GA,Decoy,0,-10.0343,-8.68,-2.31,-9.410170117146723
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2cccc(O)c2)cc1,C40079097_decoy,PA2GA,Decoy,0,-10.5394,-7.86,-2.79,-9.42834523025495
CCOc1cc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2CCO)ccc1O,C40079248_decoy,PA2GA,Decoy,0,-11.4259,-7.47,-4.26,-9.592359727108157
O=C(C1=C([O-])C(=O)N(CCOCCO)[C@@H]1c1ccc(O)cc1)c1cc2ccccc2o1,C40096977_decoy,PA2GA,Decoy,0,-11.6736,-7.12,-2.83,-9.173570775514229
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(CCO)[C@@H]3c3cccc(O)c3)oc12,C40098064_decoy,PA2GA,Decoy,0,-10.0174,-9.35,-1.54,-8.97437963042814
CCOc1cccc(C(=O)C2=C([O-])C(=O)N[C@H]2c2cc(Br)c(O)c(OC)c2)c1,C40125623_decoy,PA2GA,Decoy,0,-11.7097,-7.17,-1.14,-8.938694734371618
O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2cccc(Cl)c2F)c1,C55582497_decoy,PA2GA,Decoy,0,-9.20921,-7.14,-1.43,-7.969224618736867
CCOc1ccc(C(=O)NNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1,C14805252_decoy,PA2GA,Decoy,0,-9.91843,-6.88,-1.19,-9.480236208019305
O=C(CCNC(=O)c1ccoc1)Nc1ccccc1[N-]S(=O)(=O)c1cccs1,C25016949_decoy,PA2GA,Decoy,0,-10.624,-8.16,-2.49,-9.278795982439668
CSCC[C@H](NS(=O)(=O)c1cc(Cl)ccc1Cl)/C([O-])=N/c1ncn[nH]1,C26260246_decoy,PA2GA,Decoy,0,-12.7207,-8.47,-1.77,-12.880323616323787
COc1cc2nc([S-])n(NC(=S)Nc3ccc(C(C)=O)cc3)c(=O)c2cc1OC,C59228445_decoy,PA2GA,Decoy,0,-11.7882,-7.52,-2.39,-9.474440899355209
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccn[nH]3)ccc2Cl)cc1,C60063361_decoy,PA2GA,Decoy,0,-10.3702,-9.19,-2.1,-8.914287987758666
Cc1ccc(NC(=O)CCCNC(=O)OC(C)(C)C)cc1[N-]S(C)(=O)=O,C60100993_decoy,PA2GA,Decoy,0,-9.70895,-7.05,-1.67,-7.967618786567478
CNc1ccc(S(=O)(=O)NC)cc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl,C60341691_decoy,PA2GA,Decoy,0,-10.5321,-7.64,-2.4,-10.141339331201568
C[C@H](CS(=O)(=O)[N-]c1cccc(F)c1)C(=O)Nc1ccc2[nH]c(=O)oc2c1,C62089672_decoy,PA2GA,Decoy,0,-9.25404,-9.5,-2.32,-8.103786907194129
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1ccc(C)c2cn[nH]c12,C63635647_decoy,PA2GA,Decoy,0,-10.3652,-7.99,-3.44,-8.662615296840565
COc1ccc([N-]S(=O)(=O)C2=CN=C([C@H]3NN[C@H](c4ccc(F)cc4)O3)C2)cc1,C64612958_decoy,PA2GA,Decoy,0,-10.414,-9.83,-1.31,-8.678595175083647
CC(=O)Nc1ccccc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(Cl)cc2)nc1[O-],C64774697_decoy,PA2GA,Decoy,0,-11.2719,-8.9,-2.75,-8.604536408051473
CNC(=O)[C@@H](CC(C)C)NC(=O)CS(=O)(=O)[N-]c1ccc(OC(C)C)cc1,C65153828_decoy,PA2GA,Decoy,0,-11.448,-7.94,-3.44,-10.77991061503276
CCC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccc(NC(=O)C3CC3)nc2)cc1,C67004775_decoy,PA2GA,Decoy,0,-9.24563,-6.99,-1.64,-8.030660259181404
O=C(COC(=O)c1ccccc1Nc1cccc(C(F)(F)F)c1)N[C@@H]1CCS(=O)(=O)C1,C03531041_decoy,PA2GA,Decoy,0,-10.8062,-9.19,-5.42,-8.927028793611196
CCOc1ccc(/C=C/C(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)cc1,C00947474_decoy,PA2GA,Decoy,0,-10.3257,-6.72,-3.18,-6.446016168436246
CCOC(=O)c1c(NC(=O)CNc2ccc(OC)c(OC)c2)sc2c1CC[C@H](C)C2,C08788414_decoy,PA2GA,Decoy,0,-11.5175,-6.52,-1.12,-7.740928215280676
C[C@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCC(=O)Nc1ccc(F)cc1F,C08824807_decoy,PA2GA,Decoy,0,-10.5889,-9.12,-2.74,-9.955343747710575
C[C@@H](OC(=O)c1ccccc1NS(=O)(=O)c1ccc(Cl)s1)C(=O)NC1CC1,C09126871_decoy,PA2GA,Decoy,0,-9.26238,-6.68,-1.17,-9.312198120267237
C[C@@H](NC(=O)COC(=O)CNC(=O)c1ccc(Br)o1)C12CC3CC(CC(C3)C1)C2,C09612571_decoy,PA2GA,Decoy,0,-10.3698,-7.96,-1.94,-10.431461759261706
Cc1ccc(N2C[C@H](C(=O)Nc3nc(CC(=O)NCCC4=CCCCC4)cs3)CC2=O)cc1,C09698224_decoy,PA2GA,Decoy,0,-12.9044,-9.95,-3.16,-10.009139046150256
Cc1ccc(N(C(=O)CNC(=O)c2cccs2)[C@H](C(=O)NC2CCCC2)c2ccco2)cc1,C13506074_decoy,PA2GA,Decoy,0,-10.8698,-7.05,-3.4,-8.785706323342486
O=C(NCC(=O)N(c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccco1)c1cccs1,C13506425_decoy,PA2GA,Decoy,0,-10.1918,-8.53,-2.55,-9.536660690651544
C=CCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc(OC)c(OC)c(OC)c1)N2,C13641097_decoy,PA2GA,Decoy,0,-10.4563,-7.78,-3.04,-8.433840105751065
CCCNS(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cc(OC)c(OC)c(OC)c1)N2,C13641131_decoy,PA2GA,Decoy,0,-11.0263,-6.33,-2.06,-6.717574017350493
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Nc1ccccc1C(=O)NCc1ccco1,C14800917_decoy,PA2GA,Decoy,0,-9.44743,-10.0,-1.82,-9.663340358313482
O=C(CNc1cccc(S(=O)(=O)N2CCCCC2)c1)Nc1ccc(OC(F)F)cc1,C15086960_decoy,PA2GA,Decoy,0,-10.9254,-7.38,-1.61,-7.632222001352046
C/C=C/c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)c(OC)c1,C15236721_decoy,PA2GA,Decoy,0,-9.91938,-9.7,-2.2,-12.164660358412778
CCC(=O)c1ccc(OC[C@H](O)CN2C(=O)N[C@](C)(c3ccc4ccccc4c3)C2=O)cc1,C15236785_decoy,PA2GA,Decoy,0,-8.29596,-9.4,-2.28,-7.341238341783916
CC(=O)c1ccccc1NC(=O)[C@@H](C)OC(=O)CNC(=O)c1sc2ccccc2c1Cl,C15848431_decoy,PA2GA,Decoy,0,-11.1967,-8.87,-2.12,-11.520521030819252
Cc1ccc(NC(=O)CN(C)C(=O)CCNS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1,C15916951_decoy,PA2GA,Decoy,0,-10.4297,-8.75,-2.08,-9.213177112822
COCCN(Cc1nc(C(=O)NC2CCCCC2)cs1)C(=O)Nc1ccc(Cl)cc1,C16459098_decoy,PA2GA,Decoy,0,-11.6613,-7.73,-2.48,-8.016809336602408
COCCOC(=O)C1=C(C)N(C)C(=S)N[C@@H]1c1cccc(NC(=O)c2cccc(F)c2)c1,C16609502_decoy,PA2GA,Decoy,0,-9.42779,-8.67,-3.33,-8.362301684259814
Cc1ccc(NC(=O)[C@@H](C)OC(=O)[C@H](C)NS(=O)(=O)c2ccc(Cl)cc2)cc1F,C16773213_decoy,PA2GA,Decoy,0,-11.0703,-9.46,-2.34,-10.659176513634083
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)O[C@H](C)C(=O)Nc2ccc(Cl)cc2F)cc1,C16773549_decoy,PA2GA,Decoy,0,-9.79528,-9.46,-1.34,-10.311682634703498
CC(C)[C@H](NS(=O)(=O)c1cccc2nsnc12)C(=O)NCCc1ccc(Cl)cc1,C19077494_decoy,PA2GA,Decoy,0,-12.3373,-7.24,,99.0
CNC(=O)c1ccc(NC(=O)COC(=O)C2(Cc3nc4ccccc4s3)CCCC2)cc1,C19355085_decoy,PA2GA,Decoy,0,-10.8458,-9.38,-2.1,-9.3002584514617
C[C@H](CO)NC(=O)COc1ccc2cc(-c3ccc(OC(F)(F)F)cc3)c(=O)oc2c1,C20426212_decoy,PA2GA,Decoy,0,-9.44791,-6.75,-2.98,-6.232544759084464
CC(=O)Nc1c2n(c3ccccc13)C[C@@](C)(C(=O)NCCC(C)C)N(CCC(C)C)C2=O,C21866967_decoy,PA2GA,Decoy,0,-9.13511,-7.24,-4.25,-2.575302032959644
CCCc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc3c(c2)OCCCO3)cc1,C22617075_decoy,PA2GA,Decoy,0,-10.5059,-7.19,-2.1,-7.493562295691833
CCOc1ccc(OC[C@H](O)CN2C(=O)N[C@@](C)(c3ccc4ccccc4c3)C2=O)cc1,C24093062_decoy,PA2GA,Decoy,0,-10.3101,-8.31,-3.59,-8.16405654314122
CC(C)Cn1c(SCCOc2ccc(S(N)(=O)=O)cc2)nc2ccc(Cl)cc2c1=O,C24144489_decoy,PA2GA,Decoy,0,-10.567,-8.78,-3.23,-9.459640481115072
Cc1ccc([C@H](CN2CCOCC2)NC(=O)c2ccc(NC(=O)OC(C)(C)C)cc2)cc1,C12775703_decoy,PA2GA,Decoy,0,-9.13358,-6.44,-4.39,-5.668407396319295
CCOC(=O)C1=C(CSc2nccc(C(F)(F)F)n2)NC(=O)N[C@@H]1c1cccs1,C25256754_decoy,PA2GA,Decoy,0,-10.8668,-7.46,-1.85,-8.789647039362393
C[C@@H]1CN(CCCNC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C[C@H](C)O1,C32899240_decoy,PA2GA,Decoy,0,-11.9389,-8.87,-3.75,-8.686558868407715
CCOC(=O)CC1(NC(=O)N[C@H](C(=O)N2CCc3ccccc32)C(C)C)CCCCC1,C33127610_decoy,PA2GA,Decoy,0,-9.35775,-7.85,-1.23,-12.74981666673438
Cc1cccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)c2cccc3ccccc23)c1,C33662307_decoy,PA2GA,Decoy,0,-9.41742,-8.95,-2.33,-10.961174782211858
CCOC(=O)c1[nH]c(C)c(C(=O)CN(C(=O)Nc2ccc(SC)cc2)C2CC2)c1C,C35538974_decoy,PA2GA,Decoy,0,-10.1314,-6.37,-4.47,-7.6470848703906595
Cc1cccc(CN2C(=O)O[C@H](c3ccc(NC(=O)CC(C)C)cc3)[C@@H]2C(=O)NC2CC2)c1,C35752603_decoy,PA2GA,Decoy,0,-9.10069,-9.0,-2.59,-8.748179487727219
Cc1ccc(CN2C(=O)O[C@@H](c3cccc(NC(=O)C(C)C)c3)[C@H]2C(=O)NCC2CC2)cc1,C35755439_decoy,PA2GA,Decoy,0,-9.26984,-8.86,-2.35,-9.013730784989969
CC1=C(C(=O)Nc2ccccc2)[C@@H](c2ccco2)C(C#N)=C(SCC(=O)OC(C)C)N1,C06530709_decoy,PA2GA,Decoy,0,-11.3349,-8.0,-2.55,-10.905685484033876
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)OC(=O)c2cc3ccccc3s2)cc1,C23034220_decoy,PA2GA,Decoy,0,-9.32285,-6.81,-1.89,-6.90131586391201
CC[C@H]1CCCCN1C(=O)[C@H](C)OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2,C39579503_decoy,PA2GA,Decoy,0,-9.31593,-8.98,-1.57,-8.454595339816038
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)OCC(=O)N1CCCCCC1)c1ccc(F)cc1,C39616100_decoy,PA2GA,Decoy,0,-9.57488,-9.27,-2.27,-11.706810108052458
Cc1nc(SCC(=O)N(c2ccccc2)C2CCCCC2)[nH]c(=O)c1CCC(=O)O,C13449530_decoy,PA2GA,Decoy,0,-9.61324,-8.22,-3.46,-7.853854263773551
CCc1cccc2c1=[NH+]CC=2C(=O)CS[C@H]1Nc2cc(C(=O)[O-])ccc2C(=O)N1CC(C)C,C39697910_decoy,PA2GA,Decoy,0,-10.1955,-8.72,-1.15,-9.311930978827045
CSCC[C@H](NC(=O)c1cccc([N+](=O)[O-])c1)C(=O)Nc1ccc(Br)c(C)c1,C15583062_decoy,PA2GA,Decoy,0,-10.0869,-8.29,-3.55,-8.935085227992653
COC(=O)[C@@H](CC(C)C)NC(=O)c1cc(S(=O)(=O)Nc2cccc(C)c2)ccc1C,C57380764_decoy,PA2GA,Decoy,0,-10.5178,-8.65,-4.21,-10.07696970593873
CCCCn1c(-c2ccc(Cl)cc2)nn(CCC(=O)Nc2[nH+]cccc2[O-])c1=S,C22263763_decoy,PA2GA,Decoy,0,-10.7409,-8.18,,99.0
Cc1ccc(C)c(-n2ccnc2SCC(=O)NCc2ccc(NC(=O)c3ccco3)cc2)c1,C25402204_decoy,PA2GA,Decoy,0,-10.9747,-7.84,-0.71,-10.534465194170853
O=S(=O)(Nc1ccc(Oc2ccccc2)cc1)c1ccc(S(=O)(=O)NC2CC2)cc1,C28196172_decoy,PA2GA,Decoy,0,-9.91964,-7.38,-2.55,-9.40435191891872
CC(=O)NCc1ccc(-c2csc(NC(=O)[C@H](C)Oc3ccc(C(C)C)c(C)c3)n2)o1,C59274954_decoy,PA2GA,Decoy,0,-10.9661,-7.54,-3.98,-7.166794613641529
COCCCn1c([S-])nc2cc(C(=O)NCC(C)(C)[NH+]3C[C@@H](C)C[C@H](C)C3)ccc2c1=O,C59990162_decoy,PA2GA,Decoy,0,-11.0784,-6.65,-3.39,-7.097607795719198
CC(C)C[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)NC1CCN(C(=O)OC(C)(C)C)CC1,C60031820_decoy,PA2GA,Decoy,0,-9.7801,-8.84,-4.08,-9.885005013930623
O=C(N[C@H](c1cccc(F)c1)[C@@H](O)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C08700591_decoy,PA2GA,Decoy,0,-10.4194,-6.22,-2.13,-6.68158761470074
O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CC2)ccc1Br,C09910317_decoy,PA2GA,Decoy,0,-10.905,-7.96,-2.15,-10.264382699669214
CC(C)[C@@H](NC(=O)/C(=C/c1ccccc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-],C02272251_decoy,PA2GA,Decoy,0,-10.1911,-7.25,-2.09,-8.161921882550864
O=C(CN1CCCc2ccccc21)NNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br,C13059983_decoy,PA2GA,Decoy,0,-10.8574,-8.7,-3.08,-9.5795946696793
O=C([O-])c1cccnc1Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1,C13090441_decoy,PA2GA,Decoy,0,-12.4035,-8.51,-1.89,-11.099779846842964
CC[C@H]1CCc2sc(C(=O)NNC(=O)C[C@@H](C(=O)[O-])c3ccccc3)cc2C1,C13250103_decoy,PA2GA,Decoy,0,-12.5116,-8.84,-2.2,-14.045932652572782
CCNc1ccc(C(=O)OCC)cc1NS(=O)(=O)c1ccc(/C=C/C(=O)[O-])cc1,C13250737_decoy,PA2GA,Decoy,0,-10.7493,-6.68,-2.1,-9.007151041260776
O=C(Nc1cccc(C(F)(F)F)c1)c1cccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])c1,C13252283_decoy,PA2GA,Decoy,0,-10.6024,-9.35,-4.31,-7.847934921775276
O=C([O-])c1cc(S(=O)(=O)Nc2ccccc2C(=O)NC2CCCC2)ccc1Cl,C13262369_decoy,PA2GA,Decoy,0,-10.7068,-8.5,-1.13,-9.791410521565444
Cc1ccc(S(=O)(=O)N(C)C)cc1NC(=S)N/N=C/c1ccc(C(=O)[O-])cc1,C13338049_decoy,PA2GA,Decoy,0,-11.3988,-7.09,-3.34,-8.343754443476575
O=C([O-])/C=C/c1ccc(NC(=O)CSc2nnc(NCc3ccco3)s2)cc1,C13402873_decoy,PA2GA,Decoy,0,-13.7558,-7.67,-2.06,-11.976379379735237
O=C(C[C@@H]1S/C(=N\N=C\C=C\c2ccccc2)N=C1O)Nc1ccc(C(=O)[O-])cc1,C02955581_decoy,PA2GA,Decoy,0,-11.0215,-6.95,-2.18,-7.384937205691012
O=C(NC(=S)Nc1ccc(Cl)cc1C(=O)[O-])c1ccc([N+](=O)[O-])cc1Cl,C16385782_decoy,PA2GA,Decoy,0,-10.0075,-7.89,-3.29,-8.590518817286279
COC(=O)C1=C([O-])NC(SCC(=O)Nc2ccc(F)cc2)=C(C#N)[C@@H]1c1ccc(C)cc1,C20101514_decoy,PA2GA,Decoy,0,-11.1729,-9.21,-1.38,-10.075699266298905
CCn1c([O-])c2ccc(C(=O)Nc3cccc(C(=O)NCC(F)(F)F)c3)cc2nc1=S,C25581183_decoy,PA2GA,Decoy,0,-12.1325,-8.03,-1.16,-9.86376162237602
CCC(=O)N[C@@H](Oc1ccc(/C=C2/C(=O)NC(=O)N=C2[O-])cc1)C(Cl)(Cl)Cl,C26967539_decoy,PA2GA,Decoy,0,-11.5285,-8.93,-1.78,-11.821355500949496
CC(Cl)(Cl)[C@H](NC(=O)c1cccs1)N/C(=N/C#N)[N-]c1ccc(C(F)(F)F)nc1,C28866479_decoy,PA2GA,Decoy,0,-12.5474,-7.97,-2.93,-10.84566410630156
C=CCn1c([S-])nnc1-c1sc(NC(=O)CCc2c[nH]c3ccccc23)nc1C,C30672564_decoy,PA2GA,Decoy,0,-11.7383,-7.17,-3.71,-7.764094284188424
COC(=O)c1cc(NS(=O)(=O)c2cc(C(=O)[O-])c(O)cc2C)ccc1Cl,C31668468_decoy,PA2GA,Decoy,0,-11.3115,-7.93,-3.05,-9.057746936905982
C[C@H]1CCc2c(sc(NC(=O)[C@@H](C)N(C)Cc3nc4ccccc4c(=O)[nH]3)c2C(=O)[O-])C1,C14123871_decoy,PA2GA,Decoy,0,-10.3613,-9.07,-2.9,-8.462287901190804
Cc1ccc(NC(=O)c2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])ccc2N2CCOCC2)cc1,C01115825_decoy,PA2GA,Decoy,0,-10.9276,-8.06,-4.68,-7.48127842174349
Cc1ccc(NC(=O)c2cc(NC(=O)[C@H]3CC=CC[C@H]3C(=O)[O-])ccc2N2CCOCC2)cc1,C01115822_decoy,PA2GA,Decoy,0,-12.0591,-8.21,-1.54,-8.83106922732469
CC(C)Cc1nnc(NC(=O)CSc2nc([O-])c(-c3ccccc3)c(=O)[nH]2)s1,C13496814_decoy,PA2GA,Decoy,0,-10.3778,-7.72,-1.37,-7.513255308907351
Cc1ccc(/C=C/C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(C)on3)cc2)cc1,C06088862_decoy,PA2GA,Decoy,0,-11.7552,-8.11,-3.72,-7.88910004098373
O=C(NCCc1ccccc1)c1c[nH]c2ccc(S(=O)(=O)[N-]c3ccccc3F)cc2c1=O,C08595133_decoy,PA2GA,Decoy,0,-12.4714,-9.11,-1.87,-10.260837866058427
Cc1cccc(-c2nnc([S-])n2CCC(=O)NC2=NN[C@@H](CC(C)C)S2)c1,C38762491_decoy,PA2GA,Decoy,0,-12.6774,-8.49,-2.18,-10.449949828444932
CC1=C([C@@H](c2ccc(OC(=O)c3c(F)cccc3F)cc2)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1,C39422285_decoy,PA2GA,Decoy,0,-11.4079,-6.47,-0.97,-7.479568411138783
O=C([O-])c1cc(NCCNc2ncc(C(F)(F)F)cc2Cl)ccc1[N+](=O)[O-],C13212039_decoy,PA2GA,Decoy,0,-8.88784,-8.52,-3.67,-7.499237972703795
O=C([O-])/C=C/c1ccc(NCCNc2ncc(C(F)(F)F)cc2Cl)c([N+](=O)[O-])c1,C13212042_decoy,PA2GA,Decoy,0,-9.46845,-8.63,-2.21,-7.552171019836487
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C([O-])C(=O)N2CCO)ccc1O,C40084797_decoy,PA2GA,Decoy,0,-9.90796,-8.4,-3.07,-12.12814760553538
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N[C@@H]2c2cc(Br)c(O)c(OC)c2)c1,C40126108_decoy,PA2GA,Decoy,0,-11.0068,-8.72,-3.89,-9.440368876334466
O=C(CSc1nc2ccccc2[nH]1)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1,C40176160_decoy,PA2GA,Decoy,0,-11.2058,-8.0,-1.2,-8.193743591612044
CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2Cc2ccco2)ccc1O,C39898747_decoy,PA2GA,Decoy,0,-10.6271,-6.2,-3.99,-7.175328171878388
CC(C)C[C@@]1(C(=O)[O-])[NH2+][C@@H](c2cccc(SC(F)(F)F)c2)[C@H]2C([O-])=NC(=O)[C@H]21,C43211166_decoy,PA2GA,Decoy,0,-8.88866,-5.32,-2.23,-5.866604521263609
O=C(Nc1cc(C(F)(F)F)ccc1Cl)[C@H](Sc1nnc([O-])[nH]c1=O)c1ccccc1,C13638195_decoy,PA2GA,Decoy,0,-12.0899,-7.69,-2.74,-10.958563124741737
COCCCn1c([S-])nc2cc(C(=O)Nc3ccc(NC(=O)CC(C)C)cc3)ccc2c1=O,C45914858_decoy,PA2GA,Decoy,0,-10.2105,-8.7,-4.39,-7.893436965289528
O=C(CCCN1C(=O)/C(=C/c2ccc(O)cc2)SC1=S)Nc1ccc(C(=O)[O-])cc1,C15039955_decoy,PA2GA,Decoy,0,-9.98479,-7.81,-1.3,-8.15704755813683
Cc1cc(C)nc(/N=C(\N=C(/[O-])C(C)C)NCCc2c[nH]c3ccc(Cl)cc23)n1,C18066700_decoy,PA2GA,Decoy,0,-9.70786,-8.78,-4.49,-8.022302487282618
CC(C)[C@@H](C(=O)Nc1ccc(O)c(C(=O)[O-])c1)N1C(=O)/C(=C/c2ccco2)SC1=S,C33539364_decoy,PA2GA,Decoy,0,-12.2641,-7.61,-2.03,-9.337759394093684
O=C(N[C@@H](C(=O)[O-])c1ccccc1)c1cccc(NC(=O)c2ccccc2Br)c1,C58844891_decoy,PA2GA,Decoy,0,-9.71123,-7.54,-1.35,-7.792446001038006
C[C@H](NC(=O)c1ccccc1[N-]S(=O)(=O)c1cc2c(cc1F)NC(=O)CC2)c1ccccc1,C59007095_decoy,PA2GA,Decoy,0,-9.36963,-9.47,-1.63,-10.013604951180572
Cc1cc(C)cc(C(=O)NCC(=O)N[C@@H](C)c2ccccc2[N-]S(C)(=O)=O)c1,C43284253_decoy,PA2GA,Decoy,0,-9.94276,-8.21,-1.5,-10.839236364020795
Cc1ccc(NCC(=O)N/N=C\c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1,C36145063_decoy,PA2GA,Decoy,0,-7.48111,-6.11,-0.97,-7.123753700727594
Cc1ccc2nc(SCC(=O)Nc3ccc(S(=O)(=O)[N-]c4nccs4)cc3)[nH]c2c1,C59497519_decoy,PA2GA,Decoy,0,-12.3876,-8.06,-1.91,-9.607744341515426
NS(=O)(=O)c1ccc([N-]/C(=N\S(=O)(=O)c2ccc(Cl)cc2)c2ccccc2)cc1,C12378356_decoy,PA2GA,Decoy,0,-10.8927,-8.76,-2.86,-8.829646447268352
COc1cc([C@@H]2C(C#N)=C(SCC(N)=O)N=C3CC(C)(C)CC([O-])=C32)cc(OC)c1OC,C09329086_decoy,PA2GA,Decoy,0,-12.9094,-5.86,-0.69,-8.822402526442186
CC(C)N1NCC=C1NC(=O)CSc1nnc(-c2cc(Cl)sc2Cl)c([O-])n1,C64064360_decoy,PA2GA,Decoy,0,-13.0642,-8.43,-3.46,-9.503289884670568
COc1ccc(C)cc1[N-]S(=O)(=O)C1=CN=C([C@H]2NN[C@@H](c3ccccc3)O2)C1,C64612891_decoy,PA2GA,Decoy,0,-12.2391,-6.11,-1.52,-7.1352164451245
CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2c(C)cc(C)cc2C)nc1[O-],C64774873_decoy,PA2GA,Decoy,0,-11.5521,-10.14,-2.12,-9.704880914092223
CNS(=O)(=O)c1cccc([C@H](C)NCc2cc(Cl)cc([N+](=O)[O-])c2[O-])c1,C67010283_decoy,PA2GA,Decoy,0,-9.53403,-8.34,-1.15,-8.860574934916468
O=C(CNC(=O)c1sc2ccccc2c1Cl)N/N=C/c1cccc(F)c1,C04209942_decoy,PA2GA,Decoy,0,-11.2297,-7.18,-0.76,-7.0904379929606245
O=C(NC(=S)Nc1ccc(N2CCCCC2)cc1)c1cc2ccccc2o1,C01092933_decoy,PA2GA,Decoy,0,-11.4013,-7.91,-2.84,-7.216145491766962
Cc1cccc(NCC(=O)N/N=C/c2ccc(I)o2)c1,C04746717_decoy,PA2GA,Decoy,0,-8.83347,-7.53,-1.76,-8.13733579243212
CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)[C@H]1c1ccc(C(F)(F)F)cc1,C05457868_decoy,PA2GA,Decoy,0,-9.82537,-8.03,-1.51,-10.46723092500394
C=C([C@H](O)c1ccc(C)cc1)n1nnc2cccc([C@@H](O)c3ccc(C)cc3)c21,C06788525_decoy,PA2GA,Decoy,0,-10.8417,-8.59,-1.81,-8.464562023880559
O=C(NC1CC1)c1cccc(NC(=O)c2ccc(-c3ccc(Cl)cc3)o2)c1,C08230435_decoy,PA2GA,Decoy,0,-9.48212,-7.68,-1.59,-7.301400472907058
O=C1NC2=C(C(=O)N(CCCc3ccccc3)C2)[C@@H](c2ccc(Cl)cc2)N1,C08755390_decoy,PA2GA,Decoy,0,-8.98388,-7.51,-1.13,-7.847515081381958
CC(C)(C)c1ccc(C(=O)Nc2ccc(NC(=O)c3cccnc3)cc2)cc1,C00848978_decoy,PA2GA,Decoy,0,-8.49021,-8.54,-1.91,-7.5941056722457265
O=S(=O)(NNc1ccc(C(F)(F)F)cn1)c1cccc(Cl)c1Cl,C09469688_decoy,PA2GA,Decoy,0,-10.5877,-6.79,-0.81,-7.142120709913368
O=C(CC(c1ccccc1)c1ccccc1)Nc1ccc2c(c1)OCC(=O)N2,C12169510_decoy,PA2GA,Decoy,0,-10.1075,-7.45,-2.33,-6.9455730905998525
O=C(NCc1ccco1)c1cccc(NC(=O)c2ccc(Cl)cc2Cl)c1,C14837120_decoy,PA2GA,Decoy,0,-9.98848,-9.27,-0.3,-9.455992362954586
O=C(CC[C@H]1Cc2ccccc2NC1=O)Nc1ccc(-c2nccs2)cc1,C14849568_decoy,PA2GA,Decoy,0,-10.0714,-7.13,-0.79,-6.80884252674385
CCc1[nH]c(=O)c(C(=O)N[C@H](c2ccncc2)c2ccc(C)c(C)c2)cc1C,C19521466_decoy,PA2GA,Decoy,0,-7.35188,-8.85,-1.92,-9.673732461920608
Cc1ccc(NC(=O)[C@H](NC(=O)C23CC4CC(CC(C4)C2)C3)C(C)C)nc1,C21877202_decoy,PA2GA,Decoy,0,-9.89536,-7.59,-1.25,-8.947546108967774
CC(C)(C)[C@@H]1CCc2c(sc3nc(CCC(=O)NC4CC4)[nH]c(=O)c23)C1,C21882602_decoy,PA2GA,Decoy,0,-10.2201,-8.44,-0.77,-7.818586666001764
Cc1nc(-c2ccc(N[C@H](C)C(=O)NC3(C#N)CCCCC3)cc2)cs1,C28623210_decoy,PA2GA,Decoy,0,-12.0899,-8.18,-2.15,-8.58216303080608
CC(C)c1ccc(NC(=O)c2cc(NS(C)(=O)=O)ccc2Cl)cc1,C30752773_decoy,PA2GA,Decoy,0,-9.9789,-7.09,-1.13,-8.235034973157534
CC(=O)c1c(C)[nH]c(C(=O)NCc2ccc(-c3ccc(Cl)cc3)o2)c1C,C32524567_decoy,PA2GA,Decoy,0,-9.48732,-8.83,-2.23,-13.982072685410714
Cc1cccc(NC(=O)NC[C@H](c2cccnc2)N2CCc3ccccc32)c1,C39703177_decoy,PA2GA,Decoy,0,-8.25067,-5.61,-1.51,-5.478257596428079
O=C(Nc1ccc(Cl)cc1)Nc1ccc(CCC(=O)N2CCCC2)cc1,C41116525_decoy,PA2GA,Decoy,0,-9.34869,-8.35,-1.44,-13.093420409621285
CS(=O)(=O)c1cccc(NC(=O)N[C@@H](c2cccs2)C2CCCC2)c1,C43867526_decoy,PA2GA,Decoy,0,-10.9662,-8.07,-1.27,-9.116423300252924
CC(C)c1ccc(/N=C2\NC(=O)[C@H](CC(=O)Nc3ccc(F)cc3)S2)cc1,C44827445_decoy,PA2GA,Decoy,0,-10.3944,-8.14,-2.52,-7.49416513392274
CC(C)[C@H](NC(=O)c1cccs1)C(=O)Nc1nc2c(s1)C[C@H](C)CC2,C45652929_decoy,PA2GA,Decoy,0,-11.175,-6.55,-2.49,-6.996838834356993
CC(C)(C)NS(=O)(=O)c1ccc(C(=O)Nc2ccc(F)cc2Cl)cc1,C45726344_decoy,PA2GA,Decoy,0,-9.51072,-6.82,-1.83,-6.620356554294213
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc(-n2c(C)ccc2C)cc1,C46881068_decoy,PA2GA,Decoy,0,-9.56283,-8.22,-2.38,-6.310120237838792
C[C@@H](c1cccs1)N(C)C(=O)Nc1ccc(Cl)c(C(=O)NC2CC2)c1,C47728337_decoy,PA2GA,Decoy,0,-10.0668,-8.37,-1.66,-8.778438821520579
CC(C)CNC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2ccsc2)cc1,C47730941_decoy,PA2GA,Decoy,0,-10.1265,-8.64,-2.24,-9.955001169001356
CCC[C@H](C)NC(=O)[C@H]1CCCN(C(=O)Nc2ccc(F)c(F)c2F)C1,C51583383_decoy,PA2GA,Decoy,0,-8.80123,-8.33,-0.37,-8.12279454040189
Cc1cc(C(=O)N[C@@H](c2cccs2)C2CCCC2)ccc1N1CCNC1=O,C53510937_decoy,PA2GA,Decoy,0,-10.0565,-7.18,-1.95,-8.254686205478533
CC[C@H](C)NC(=O)c1ccc(NC(=O)N2CCC[C@H]2c2cccs2)cc1,C54478239_decoy,PA2GA,Decoy,0,-9.38199,-8.5,-2.33,-8.439334144421771
Cc1cccc(S(=O)(=O)Nc2cccc(NC(=O)c3cccs3)c2)c1,C55397710_decoy,PA2GA,Decoy,0,-10.0235,-7.19,-0.6,-7.201502438565734
Cc1ccc(S(=O)(=O)Nc2ccc(NC(=O)C(C)C)cc2)cc1Cl,C55567381_decoy,PA2GA,Decoy,0,-8.64442,-7.56,-1.23,-6.072742549694377
CCN(Cc1ccc(Cl)s1)C(=O)Nc1ccc(C(=O)NC)c(Cl)c1,C56694918_decoy,PA2GA,Decoy,0,-9.55454,-7.02,-2.24,-8.890156417211122
CC(C)(C)NS(=O)(=O)c1cccc(NC(=O)c2ccc(F)cc2Cl)c1,C18837065_decoy,PA2GA,Decoy,0,-10.7501,-8.56,-3.68,-9.394970587310365
O=C(NCc1cn2ccsc2n1)Nc1ccc(SC2CCCC2)cc1,C58106860_decoy,PA2GA,Decoy,0,-13.1234,-7.61,-1.77,-8.175113588969255
Cc1ccc(NC(=O)c2cc(S(=O)(=O)NC(C)C)ccc2Cl)c(F)c1,C11432008_decoy,PA2GA,Decoy,0,-9.74758,-8.43,-1.52,-8.568772224197467
CC(=O)Nc1ccc2nc(SCC(=O)Nc3cc(C)ccc3C)sc2c1,C06272162_decoy,PA2GA,Decoy,0,-11.3307,-9.25,-0.43,-11.114480930219846
Oc1ccccc1[C@@H](Nc1cc(Cl)nc(Cl)n1)SC1=NCCS1,C59369739_decoy,PA2GA,Decoy,0,-11.1902,-6.65,-2.55,-8.386905361086246
O=C(NCc1ccc(Cl)cc1)C(=O)N/N=C/c1c(Cl)cccc1Cl,C07782418_decoy,PA2GA,Decoy,0,-10.3598,-7.78,-1.49,-13.194435573933957
CCNC(=O)[C@@H]1CCCN(C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)C1,C61855279_decoy,PA2GA,Decoy,0,-9.87136,-8.03,-1.34,-9.761018149163997
O=C(Nc1ccc2[nH]c(=O)oc2c1)[C@H](Cc1cccs1)c1ccc(F)cc1,C62082809_decoy,PA2GA,Decoy,0,-10.4211,-6.94,-3.43,-7.46851693428906
C[C@H]1CN(c2ccc(NC(=O)CNc3cc(F)ccc3F)cc2)C[C@H](C)O1,C64552313_decoy,PA2GA,Decoy,0,-9.36917,-7.71,-2.47,-7.121965999734712
Cc1ccc(NC(=O)c2ccc(-c3ccc(NC(=O)C4CC4)cn3)cc2)cc1,C64754550_decoy,PA2GA,Decoy,0,-8.12808,-6.3,-3.22,-5.3547785615024335
C[C@@H](NC(=O)NC1(c2ccccc2)CCC1)c1ccc(N2CCOCC2)cc1,C66220663_decoy,PA2GA,Decoy,0,-9.51415,-9.73,-0.58,-9.17478380306422
Cc1ccccc1[C@H](C#N)NC(=O)c1cccc(NC(=O)C2CCCCC2)c1,C66401331_decoy,PA2GA,Decoy,0,-10.0487,-9.46,-1.84,-7.82382286839519
COC(=O)Nc1cc(NC(=O)c2cc(SC)ccc2Cl)ccc1F,C66489488_decoy,PA2GA,Decoy,0,-11.3854,-7.44,-0.63,-11.032974501782052
Cc1ccc(-c2nc(CC(=O)NNC(=O)c3sccc3C)cs2)cc1,C66557729_decoy,PA2GA,Decoy,0,-11.6408,-7.34,-2.45,-8.843822334111133
COC(=O)[C@@H](NC(=O)c1c[nH]c2cc(Cl)ccc12)c1cc(F)ccc1F,C66659830_decoy,PA2GA,Decoy,0,-10.1533,-5.84,-2.65,-5.570129683809177
CC(C)(C)C(=O)N1CCC(C(=O)NNc2ccccc2C(F)(F)F)CC1,C55543231_decoy,PA2GA,Decoy,0,-9.44984,-8.59,-0.6,-8.463025731231323
CCCC(=O)Nc1cccc(NC(=O)N2CCC[C@@H]2c2ccsc2)c1C,C67585015_decoy,PA2GA,Decoy,0,-10.0052,-8.93,-2.09,-10.927265297994747
COC(=O)c1cc(Nc2cnn(C34C[C@@H]5CC(C[C@@H](C5)C3)[C@@H]4C(=O)[O-])c(=O)c2Cl)cc(C(=O)OC)c1,C16194045_decoy,PA2GA,Decoy,0,-10.6932,-10.35,-2.89,-10.60577510566752
COc1cc2c(c(OC)c1)[C@@H](c1ccc(C(=O)[O-])cc1)C1=C(C[C@H](c3ccc(OC)c(OC)c3)CC1=O)N2,C18198631_decoy,PA2GA,Decoy,0,-9.16541,-5.28,-4.91,-6.551987179676118
CCOC(=O)c1[nH]c(C)c(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(=O)OC)cc2)c1C,C09175358_decoy,PA2GA,Decoy,0,-9.26847,-8.01,-1.86,-7.158523527863941
Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3ccc(O)cc3)s2)cc1,C09360032_decoy,PA2GA,Decoy,0,-12.7666,-5.47,-1.13,-7.3321826731515936
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3F)s2)[C@H]1c1ccc(O)cc1)c1ccco1,C09360629_decoy,PA2GA,Decoy,0,-13.9287,-8.38,-1.74,-10.616856234803551
COc1ccc(C(=O)Oc2ccc(Br)cc2/C=N/N=C2\NC(=O)[C@@H](CC(=O)[O-])S2)cc1,C27552002_decoy,PA2GA,Decoy,0,-10.056,-7.0,-3.1,-7.913081795380535
Cc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)NCCC(=O)[O-])S3)[C@H](c3ccc(C(C)C)cc3)C2)cc1,C28156293_decoy,PA2GA,Decoy,0,-10.8473,-6.92,-3.82,-7.052166650010861
O=C1CCCN1c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)Nc3ccccc3Cl)cc2)cc1,C30752637_decoy,PA2GA,Decoy,0,-10.2697,-8.19,-1.82,-6.919217606821369
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2cccc(O)c2)nc1C,C33368092_decoy,PA2GA,Decoy,0,-12.4645,-8.97,-2.93,-9.961700908262706
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCCCN3CCCC3=O)N2[C@@H]1c1ccc(C)cc1C,C34922872_decoy,PA2GA,Decoy,0,-13.4535,-8.48,-2.5,-11.339170377662878
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(C)cc2)N2C(/C=C(\[O-])NCCCN3CCCC3=O)=CSC2=N1,C34923390_decoy,PA2GA,Decoy,0,-13.3109,-7.73,-2.76,-9.6994389570271
CCCc1nn(-c2ccc(Cl)cc2)c([O-])c1/C=C1\NC(=O)N(Cc2ccc(C(F)(F)F)cc2)C1=O,C35455657_decoy,PA2GA,Decoy,0,-9.94506,-8.53,-3.83,-8.105494065532332
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(C[C@@H]3CCCO3)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1,C35568550_decoy,PA2GA,Decoy,0,-11.0491,-8.66,-1.98,-12.456517830856384
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccncc3)N2[C@@H]1c1ccc(OC)cc1,C35693088_decoy,PA2GA,Decoy,0,-10.685,-7.85,-2.99,-10.937814992617144
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])Nc3ccc(F)cc3)N2[C@@H]1c1ccc(OC)cc1,C35693120_decoy,PA2GA,Decoy,0,-12.2203,-7.69,-3.07,-10.463303306223624
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@H]1c1ccc(C(C)C)cc1,C35696448_decoy,PA2GA,Decoy,0,-10.5294,-7.49,-4.21,-9.708303905622264
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCCc3ccccn3)N2[C@H]1c1ccc(Cl)cc1,C35697358_decoy,PA2GA,Decoy,0,-12.2557,-7.83,-2.41,-9.030815514682567
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccncc3)N2[C@@H]1c1cccc([N+](=O)[O-])c1,C35701489_decoy,PA2GA,Decoy,0,-11.5362,-6.71,-2.6,-8.437198347513881
CC1=C(C(=O)N(C)C)[C@H](c2ccc(C(F)(F)F)cc2)N2C(/C=C(\[O-])NC[C@@H]3CCCO3)=CSC2=N1,C35702102_decoy,PA2GA,Decoy,0,-10.5446,-7.96,-3.76,-7.800440879543364
CC1=C(C(=O)OC(C)(C)C)[C@@H](c2ccc(C)cc2)N2C(/C=C(\[O-])NCCN3CCOCC3)=CSC2=N1,C35703854_decoy,PA2GA,Decoy,0,-12.5368,-5.54,-2.09,-7.58004368050412
CCC1=C(C(=O)OC)[C@@H](c2ccc(Cl)cc2)N2C(/C=C(\[O-])NCCN3CCOCC3)=CSC2=N1,C36052886_decoy,PA2GA,Decoy,0,-13.5099,-6.47,-2.72,-9.701305588529957
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccco3)N2[C@H]1c1ccc(OC)c(OC)c1,C36058320_decoy,PA2GA,Decoy,0,-10.2898,-6.79,-2.45,-9.435999690488256
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@H]1c1ccc(OC)c(OC)c1,C36058343_decoy,PA2GA,Decoy,0,-11.1387,-7.15,-2.65,-9.065818958914434
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@@H]1c1cccc(OC)c1OC,C36061147_decoy,PA2GA,Decoy,0,-12.8675,-7.17,-2.85,-11.31442825697037
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccccn3)N2[C@@H]1c1ccc(C)cc1C,C36061186_decoy,PA2GA,Decoy,0,-13.4387,-7.97,-1.69,-12.355293233856996
CCC1=C(C(=O)OC)[C@H](c2ccc(C(C)C)cc2)N2C(/C=C(\[O-])NCCN3CCOCC3)=CSC2=N1,C36063266_decoy,PA2GA,Decoy,0,-12.2167,-7.51,-1.24,-7.913755155324235
COc1ccccc1[C@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(/C=C(\[O-])NCCc3ccccn3)N21,C36064940_decoy,PA2GA,Decoy,0,-10.1217,-8.35,-2.03,-7.896533891302568
COc1ccccc1[C@@H]1C(C(=O)OC(C)C)=C(C)N=C2SC=C(/C=C(\[O-])NCCc3ccccn3)N21,C36064941_decoy,PA2GA,Decoy,0,-13.7572,-7.48,-4.32,-10.049873782123012
C[C@H](c1ccccc1)[C@H](C(=O)NC1CCCCC1)N(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36499701_decoy,PA2GA,Decoy,0,-9.006,-8.17,-2.43,-8.840199293081112
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCC)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36570185_decoy,PA2GA,Decoy,0,-8.86664,-7.76,-3.97,-10.14120467106904
CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc2c(c1)OCO2,C36570317_decoy,PA2GA,Decoy,0,-9.64016,-7.16,-2.71,-8.405889609754393
Cc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C(=O)NC2CCCCC2)c2ccccc2O)o1,C36596633_decoy,PA2GA,Decoy,0,-9.27669,-9.55,-2.25,-9.178720105435955
Cc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@H](C(=O)NC(C)(C)C)c2ccc(N(C)C)cc2)o1,C36596747_decoy,PA2GA,Decoy,0,-9.30263,-6.84,-3.55,-8.343495717259698
CCOC(=O)c1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3cccc(C)c3)c2)cc1Cl,C38754221_decoy,PA2GA,Decoy,0,-11.8802,-7.55,-3.97,-9.009430963378644
CCOC(=O)[C@@H]1C2=C(CCCCC2)S[C@@H]1NC(=O)[C@H](C)Sc1nnc2nc([O-])c(CC)c(C)n12,C39732232_decoy,PA2GA,Decoy,0,-11.8479,-6.61,-0.87,-7.527230261616084
CCOc1ccc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2CCOCCO)cc1OCC,C40097849_decoy,PA2GA,Decoy,0,-10.9026,-8.14,-2.62,-9.987191967982284
CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCOC)ccc1OCCC(C)C,C39898207_decoy,PA2GA,Decoy,0,-10.6699,-7.83,-2.55,-11.228498431594415
COc1cc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2Cc2ccco2)ccc1OCCC(C)C,C39898764_decoy,PA2GA,Decoy,0,-11.7169,-7.95,-2.85,-10.718829659766364
C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2Cc2ccc(F)cc2)cc1OC,C39899075_decoy,PA2GA,Decoy,0,-11.4222,-6.15,-2.99,-7.807497682234175
O=C(N[C@H](Cc1ccc(N2CCCCC2)c([N+](=O)[O-])c1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44320786_decoy,PA2GA,Decoy,0,-10.3766,-10.6,-4.19,-14.859049270458396
CCOc1ccc([C@@H](C)NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2Cl)cc1OCC,C44850546_decoy,PA2GA,Decoy,0,-11.244,-9.13,-1.67,-13.442834335435888
CC(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1,C47162775_decoy,PA2GA,Decoy,0,-12.6917,-9.51,-3.58,-10.099213255992929
CCCC[C@H]1Nc2ccn(CC(=O)C(C)(C)C)c(=O)c2N1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1,C52584103_decoy,PA2GA,Decoy,0,-11.101,-8.3,-3.22,-11.011956826690495
CC(C)(C)/N=c1\c(O)c(O)\c1=N/[C@@H](Cc1ccc(NC(=O)c2c(Cl)cncc2Cl)cc1)C(=O)[O-],C26002473_decoy,PA2GA,Decoy,0,-12.4713,-9.36,-2.44,-11.950732960812452
O=C(CCn1c(=O)oc2ccccc21)Nc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)cc1,C59317072_decoy,PA2GA,Decoy,0,-10.6645,-8.46,-2.24,-7.022362222249304
O=C([O-])c1ccccc1N/N=C1\C(=O)N(c2nc(-c3ccccc3)cs2)N=C1c1ccc([N+](=O)[O-])cc1,C22023352_decoy,PA2GA,Decoy,0,-11.1609,-7.04,-4.24,-7.108453037524956
O=C(CSc1nc2ccc(/N=C/c3cc([N+](=O)[O-])ccc3[O-])cc2s1)Nc1ccc([N+](=O)[O-])cc1,C59474808_decoy,PA2GA,Decoy,0,-10.9746,-8.63,-2.95,-9.64110569522636
COc1ccc(/C=C/C([O-])=N/C2=NN3C(=NC(c4ccc(Cl)cc4)=C[C@@H]3c3ccc(OC)cc3)N2)cc1,C09462340_decoy,PA2GA,Decoy,0,-11.0788,-4.49,-1.27,-6.041536988123662
CC[C@H](Sc1nc([O-])c(C#N)c(-c2ccc(N(C)C)cc2)n1)C(=O)N[C@@H]1SC2=C(CCCC2)[C@H]1C#N,C39273050_decoy,PA2GA,Decoy,0,-14.0602,-8.71,-1.14,-9.910625689632608
COC(=O)[C@H]1SC=C[C@@H]1NC(=O)CSc1ncc(S(=O)(=O)c2ccc(C)c(Cl)c2)c([O-])n1,C64727475_decoy,PA2GA,Decoy,0,-12.8597,-9.13,-1.76,-11.46235442864
CC(=O)Nc1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(C(C)(C)C)cc2)cc1,C04593256_decoy,PA2GA,Decoy,0,-9.30172,-5.91,-2.38,-6.063227329912241
CC[C@@H](Sc1nnc(NC(=O)Nc2ccc(Cl)c(Cl)c2)s1)C(=O)[O-],C07573100_decoy,PA2GA,Decoy,0,-13.4591,-6.54,-2.37,-11.615422340232769
O=C(CCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1ccc(O)cc1C(=O)[O-],C09044224_decoy,PA2GA,Decoy,0,-9.79731,-9.11,-4.53,-12.884510303285888
Cc1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCC(F)(F)F)cc2)cc1C(=O)[O-],C13031380_decoy,PA2GA,Decoy,0,-11.3166,-7.92,-2.06,-12.037282650819138
C[C@@H](O)Cn1c(SCC(=O)NCCc2cccs2)nc2cc(C(=O)[O-])ccc2c1=O,C13052211_decoy,PA2GA,Decoy,0,-11.3677,-6.57,-1.76,-7.189232844990319
NC(=O)[C@H](Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1,C13053707_decoy,PA2GA,Decoy,0,-10.6451,-8.49,-2.54,-9.932114172579674
C=CCNc1nnc(SCC(=O)Nc2cc3ccccc3cc2C(=O)[O-])s1,C13244295_decoy,PA2GA,Decoy,0,-11.3154,-8.48,-1.43,-9.364024242073224
CC(=O)Nc1ccc(-c2csc(NC(=O)/C=C/c3ccc(CCC(=O)[O-])o3)n2)cc1,C13255873_decoy,PA2GA,Decoy,0,-11.2537,-8.12,-3.35,-8.23149137780759
CC(C)Oc1ccc(C(=O)NNS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)cc1,C13347157_decoy,PA2GA,Decoy,0,-10.5217,-7.73,-0.77,-8.124747328774848
O=C([O-])C[C@@H](NS(=O)(=O)c1ccc2c(c1)CCC(=O)N2)c1cccc(Br)c1,C15721625_decoy,PA2GA,Decoy,0,-10.9873,-11.14,-3.08,-13.01654833293181
COC(=O)c1sc(NC(=S)Nc2ccc(C(=O)[O-])cc2)c(C(=O)OC)c1C,C17087908_decoy,PA2GA,Decoy,0,-10.9584,-8.29,-3.42,-9.288163136452134
CCc1c(C)sc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)c1C(=O)NC1CCCC1,C17090741_decoy,PA2GA,Decoy,0,-12.1192,-7.04,-1.48,-9.384595513238812
CC(C)CC(=O)NC(=S)Nc1ccccc1[N-]S(=O)(=O)c1cccs1,C05858297_decoy,PA2GA,Decoy,0,-10.7346,-8.22,-2.33,-9.59702717362452
Cc1cc(C)nc(NNC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)n1,C22235176_decoy,PA2GA,Decoy,0,-11.7188,-9.0,-2.51,-9.007559916513475
O=C(Nc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)c1ccc(C(F)(F)F)nc1[O-],C25010495_decoy,PA2GA,Decoy,0,-11.8699,-8.13,-4.87,-7.867402612905435
Cc1nc(SC(F)F)nc(O)c1CCC(=O)N(C)[C@@H](C)c1ccc(S([NH-])(=O)=O)cc1,C25576978_decoy,PA2GA,Decoy,0,-11.8281,-6.96,-4.22,-7.516443636697385
O=C([O-])CCCNC(=O)/C(=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccco1,C26580545_decoy,PA2GA,Decoy,0,-10.7431,-7.52,-2.38,-10.787673875744908
Cc1ccc(NC(=O)c2cc(NC(=O)[C@@H]3CC=CC[C@@H]3C(=O)[O-])ccc2N2CCOCC2)cc1,C01115827_decoy,PA2GA,Decoy,0,-9.89979,-8.69,-2.46,-8.12591769839255
Cc1ccc(NC(=O)c2cc(NC(=O)[C@@H]3CC=CC[C@H]3C(=O)[O-])ccc2N2CCOCC2)cc1,C01115823_decoy,PA2GA,Decoy,0,-10.7071,-7.56,-2.43,-6.862286419403814
CC(C)(C)OC(=O)NCC1CCC(C(=O)NC[C@H](CC(=O)[O-])c2ccc(Cl)cc2)CC1,C09410273_decoy,PA2GA,Decoy,0,-10.2237,-8.06,-2.34,-8.645583416143541
O=C(Cn1c([S-])nnc1-c1cccs1)NNC(=O)c1ccc(-c2ccc(F)cc2)s1,C10735745_decoy,PA2GA,Decoy,0,-12.8899,-5.71,-2.41,-7.686977794670046
O=C(/C=C(\[O-])c1ccccc1)C(=O)Nc1ccc(NC(=O)C(=O)CC(=O)c2ccccc2)cc1,C00847115_decoy,PA2GA,Decoy,0,-11.2082,-8.74,-5.1,-9.887940553034724
COc1cc([C@@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OCc1cccc(C)c1,C39411905_decoy,PA2GA,Decoy,0,-10.9592,-9.1,-1.95,-10.648148055312374
CCOc1cc([C@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OCc1ccccc1,C39422216_decoy,PA2GA,Decoy,0,-10.6886,-8.46,,99.0
CC(C)c1n[nH]c(SCC(=O)Nc2ccc(I)cc2C(=O)[O-])n1,C13243180_decoy,PA2GA,Decoy,0,-11.2529,-7.6,-1.6,-8.635302350753484
O=C(CNC(=O)C12C[C@@H]3C[C@@H](CC(Cl)(C3)C1)C2)NCc1ccc(C(=O)[O-])cc1,C18068816_decoy,PA2GA,Decoy,0,-11.3239,-7.69,-1.73,-8.151867808859484
CC(C)Cc1ccc([C@H](C)Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])cc1,C13211689_decoy,PA2GA,Decoy,0,-9.44206,-7.2,-2.63,-7.271527710664001
COc1cc([C@H]2NC(=O)C([O-])=C2C(=O)c2ccc(OCC(C)C)cc2)ccc1O,C40123222_decoy,PA2GA,Decoy,0,-10.2228,-7.36,-1.11,-7.775419284990308
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N[C@H]2c2cc(Br)c(O)c(OC)c2)cc1,C40125193_decoy,PA2GA,Decoy,0,-11.368,-7.86,-2.5,-9.323846708955491
CC[C@H](C)[C@H](NC(=O)c1ccc2c([O-])n(CC)c(=S)nc2c1)c1nc2ccccc2[nH]1,C40146811_decoy,PA2GA,Decoy,0,-11.7066,-7.62,-1.68,-8.52441907404654
O=C(N[C@H](Cc1c[nH]c2ncccc12)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C40566543_decoy,PA2GA,Decoy,0,-10.473,-8.85,-2.98,-10.88237477895738
CC(C)(C)OC(=O)N[C@@H](Cc1cc(Br)c(Br)cc1O)C(=O)[O-],C44319335_decoy,PA2GA,Decoy,0,-9.99496,-8.1,-2.09,-8.885209418007129
CC(=O)c1c(C)[nH]c(C(=O)Nc2cccc(S(=O)(=O)[N-]c3ccccc3Cl)c2)c1C,C45829471_decoy,PA2GA,Decoy,0,-10.025,-9.47,-2.83,-10.088984153592772
CCC(C)(C)NC(=O)c1ccc(NC(=O)CC(CC)(CC)C(=O)[O-])cc1Cl,C55150563_decoy,PA2GA,Decoy,0,-10.6066,-5.91,-1.79,-7.447593582855341
CCC(=O)Nc1ccc(Cl)c([N-]S(=O)(=O)c2ccc(C(=O)NC)cc2)c1,C55622186_decoy,PA2GA,Decoy,0,-8.32033,-8.72,-1.85,-8.104010085011252
CC(=O)Nc1cccc(C(=O)/N=C(/[N-]Cc2ccccn2)Nc2ccc(F)c(Cl)c2)c1,C46126333_decoy,PA2GA,Decoy,0,-12.3876,-8.34,-2.6,-9.190142553839705
O=C(Nc1ccc2nc(C3CCC3)[nH]c2c1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1,C58163401_decoy,PA2GA,Decoy,0,-11.6319,-10.24,-1.63,-10.195236863260847
N#Cc1c(SCC(=O)Nc2ccccc2Oc2ccccc2)sc2c([O-])[nH]c(=O)nc12,C13568753_decoy,PA2GA,Decoy,0,-10.1795,-7.88,-2.93,-9.82911817612789
CCCc1nnc([S-])n1CC(=O)Nc1ccc2[nH]c(-c3cc(F)ccc3F)nc2c1,C59850068_decoy,PA2GA,Decoy,0,-11.3118,-8.36,-3.09,-8.254749231619472
O=C(NNc1ccc(Br)cc1)c1ccc(S(=O)(=O)[N-]c2ccncc2)cc1,C59877914_decoy,PA2GA,Decoy,0,-10.5261,-8.44,-2.51,-8.012628261427194
CCCc1nnc([S-])n1CC(=O)N[C@@H](C)c1ccc(NC(=O)c2ccc(F)cc2)cc1,C59887884_decoy,PA2GA,Decoy,0,-10.0487,-8.2,-3.81,-8.603416815064998
CC(C)(C)CC(=O)NNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1,C17518731_decoy,PA2GA,Decoy,0,-10.1419,-7.11,-1.92,-7.313018972618881
Cc1ccc(C(=O)Nc2ccc(N3CCN(CC(=O)NC(C)C)CC3)cc2C(=O)[O-])cc1,C64589302_decoy,PA2GA,Decoy,0,-11.242,-5.25,-1.69,-6.309200446819107
CC(=O)Nc1c(C)cc(C)cc1-c1nnc(SCC(=O)Nc2cc(F)cc(F)c2)nc1[O-],C64774462_decoy,PA2GA,Decoy,0,-12.2727,-9.2,-2.12,-10.756171603230444
CCOc1ccccc1NCc1cc([O-])n2nc(NCc3cccs3)nc2n1,C65323246_decoy,PA2GA,Decoy,0,-11.8279,-7.16,-3.02,-7.726659749758824
CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)cc1,C66619732_decoy,PA2GA,Decoy,0,-10.5411,-8.65,-3.47,-9.001609859077385
CCS(=O)(=O)[N-]c1ccc(NC(=O)C[C@H](C)NC(=O)C2CCCCC2)cc1,C66619735_decoy,PA2GA,Decoy,0,-9.14591,-7.88,-2.62,-8.717898772320535
Cc1ccc(NC(=O)C[C@@H](C)NC(=O)C2CCCCC2)cc1[N-]S(C)(=O)=O,C66632321_decoy,PA2GA,Decoy,0,-10.0334,-8.72,-0.86,-9.313732580735708
Cc1cccc(NNC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)c1,C66777986_decoy,PA2GA,Decoy,0,-10.9991,-10.05,-2.28,-9.673302438571762
CCCC1CCC(NC(=O)c2cc(NC(C)=O)ccc2[N-]S(C)(=O)=O)CC1,C67044208_decoy,PA2GA,Decoy,0,-8.82535,-7.07,-3.38,-6.5838181346081655
O=C(NC1CCCCC1)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1,C04810496_decoy,PA2GA,Decoy,0,-11.6673,-8.29,-2.32,-8.236025027970545
CC(=O)Nc1ccc(NC2=NC(=O)/C(=C/c3ccc(C(=O)[O-])cc3)S2)cc1,C05372888_decoy,PA2GA,Decoy,0,-10.6978,-7.7,-2.03,-6.737286170373522
O=C(N/N=C/c1ccccc1C(=O)[O-])C(=O)Nc1cccc(C(F)(F)F)c1,C05771283_decoy,PA2GA,Decoy,0,-10.4516,-8.71,-2.44,-12.56098513189506
O=C([O-])c1cc(S(=O)(=O)N[C@@H](c2cccs2)C2CC2)ccc1O,C10683353_decoy,PA2GA,Decoy,0,-10.8901,-7.05,-0.92,-8.445125682654004
O=C([O-])CNC(=O)c1ccc(NC(=O)/C=C/c2ccc(C(F)(F)F)cc2)cc1,C13180789_decoy,PA2GA,Decoy,0,-10.9821,-7.91,-2.45,-11.50049162939668
Cc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2ccc3c(c2)CCC(=O)N3)cc1,C13195194_decoy,PA2GA,Decoy,0,-9.41117,-8.17,-2.9,-8.574380200132541
O=C([O-])c1cc(S(=O)(=O)NNC(=O)C2CCCCC2)ccc1F,C13265189_decoy,PA2GA,Decoy,0,-10.0625,-9.58,-1.3,-9.091893058411667
CCc1c(C(=O)NNC(=O)[C@@H]2CC(C)=C(C)C[C@@H]2C(=O)[O-])csc1C,C02765297_decoy,PA2GA,Decoy,0,-10.0678,-6.13,-1.29,-7.809000275748627
O=C([O-])c1ccc(NC(=S)N2CCCC[C@@H]2c2cccnc2)cc1O,C01437233_decoy,PA2GA,Decoy,0,-10.3222,-7.1,-1.6,-9.060591704771268
O=C(CC1(C(=O)[O-])CCCC1)NNC(=O)c1sc2ccccc2c1Cl,C22226104_decoy,PA2GA,Decoy,0,-12.6043,-9.0,-1.85,-11.90241340452101
CC1(C)C[C@@](CCNC(=O)Nc2ncn[n-]2)(c2ccccc2)CCO1,C23380439_decoy,PA2GA,Decoy,0,-9.35851,-8.08,-1.85,-10.70815405818395
C[C@H](Nc1ccc([N-]S(C)(=O)=O)cc1)C(=O)Nc1ccccc1F,C23628232_decoy,PA2GA,Decoy,0,-8.34327,-8.63,-2.88,-8.315950007839978
CC(C)(C)NC(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])cc1,C24940383_decoy,PA2GA,Decoy,0,-11.0621,-7.78,-2.11,-8.41150821806256
C=CCn1c([S-])nc2cc(C(=O)NNC(=O)c3ccccc3F)ccc2c1=O,C26971537_decoy,PA2GA,Decoy,0,-9.94377,-7.79,-1.55,-10.46927810564186
NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1,C32097006_decoy,PA2GA,Decoy,0,-9.75947,-5.64,-2.95,-5.522740113851665
CC(C)(C)c1ccc(S(=O)(=O)[N-][NH2+]/C=C2\C=CC(=O)C=C2[O-])cc1,C04472014_decoy,PA2GA,Decoy,0,-11.6391,-9.29,-1.22,-11.742618634982977
CC(C)c1ccc(C(=O)NNC(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])cc1,C05847980_decoy,PA2GA,Decoy,0,-10.3622,-9.15,-2.26,-10.704104835802328
O=c1[nH][nH]c(-c2ccccc2[O-])c1[C@@H](C[N+](=O)[O-])c1cccc(Cl)c1,C04247756_decoy,PA2GA,Decoy,0,-9.08048,-8.66,-1.24,-9.41250049955611
CC(C)N(CCO)C(=O)Nc1cc(Br)ccc1C(=O)[O-],C42481378_decoy,PA2GA,Decoy,0,-9.09259,-6.49,-1.63,-7.714689659792385
CC(C)(C)C(=O)Nc1cccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)c1,C42733977_decoy,PA2GA,Decoy,0,-10.3237,-8.65,-1.02,-8.560336608625713
Cc1cc(C)c(S(=O)(=O)Nc2ccc(-c3cc[nH]n3)cc2)cc1C(=O)[O-],C42796020_decoy,PA2GA,Decoy,0,-10.1304,-8.04,-1.94,-8.612111037986518
CC(C)C[C@@H](NC(=O)Nc1ccc(Br)cc1Br)C(=O)[O-],C43564478_decoy,PA2GA,Decoy,0,-11.6074,-6.74,-1.89,-10.434536968941156
Cc1cc(C)c(S(=O)(=O)Nc2ccc(C(=O)NC3CC3)cc2)cc1C(=O)[O-],C45947063_decoy,PA2GA,Decoy,0,-11.2746,-8.64,-2.1,-12.681097241388516
CSc1ccc(NS(=O)(=O)c2cc(C)cc(C(=O)[O-])c2O)cc1,C48289484_decoy,PA2GA,Decoy,0,-11.69,-8.46,-2.28,-14.03191890995252
CNS(=O)(=O)c1ccc(C)c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)c1,C48383606_decoy,PA2GA,Decoy,0,-11.6441,-8.69,-1.51,-10.127031907067432
CC(C)N(CCO)C(=O)Nc1ccc(Br)cc1C(=O)[O-],C50208957_decoy,PA2GA,Decoy,0,-7.80628,-6.64,-2.27,-7.506605692798632
C=CCNC(=O)/C(C#N)=C(\[O-])CCc1nc2sc3c(c2c(=O)[nH]1)CC[C@@H](C)C3,C50854497_decoy,PA2GA,Decoy,0,-11.5944,-8.87,-2.66,-12.022734028258938
C=CCNC(=O)/C(C#N)=C(/[O-])[C@@H](C)NC(=O)c1ccc(Br)s1,C50879241_decoy,PA2GA,Decoy,0,-11.4298,-6.8,-1.71,-11.325704002947877
Cc1ccccc1[C@@H](C)NC(=O)c1cc([N-]S(C)(=O)=O)ccc1O,C55106948_decoy,PA2GA,Decoy,0,-10.3802,-7.17,-1.79,-8.807473711192673
Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1,C55583653_decoy,PA2GA,Decoy,0,-9.63487,-7.46,-1.21,-7.893417883886197
Cc1ccc(/C=C/S(=O)(=O)[N-]c2ccc(Cl)c(C(N)=O)c2)cc1,C55583654_decoy,PA2GA,Decoy,0,-10.0555,-7.65,-2.43,-8.780614366265686
Cc1ccc(/C=C\S(=O)(=O)[N-]c2ccc(C(N)=O)c(Cl)c2)cc1,C55585164_decoy,PA2GA,Decoy,0,-9.93119,-7.13,-1.1,-9.338167143416438
O=C(Nc1ccccc1O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1,C10633595_decoy,PA2GA,Decoy,0,-9.38804,-8.86,-3.26,-8.46295471927362
CC(C)(C)c1cc(NC(=O)c2ccc(Cl)c([N-]S(C)(=O)=O)c2)[nH]n1,C58264042_decoy,PA2GA,Decoy,0,-9.38188,-5.33,-1.74,-6.276080112394993
O=C(N/N=C/c1ccccc1C(=O)[O-])C(=O)Nc1ccc(Cl)c(Cl)c1,C59444395_decoy,PA2GA,Decoy,0,-9.30849,-8.77,-1.86,-8.634121764664812
NS(=O)(=O)Cc1cccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)c1,C62930913_decoy,PA2GA,Decoy,0,-9.00924,-8.76,-2.0,-7.039929356881408
NC(=O)c1cc(Cl)ccc1[N-]S(=O)(=O)c1ccccc1C(F)(F)F,C63182859_decoy,PA2GA,Decoy,0,-10.6145,-7.95,-2.84,-8.819131541870783
O=C(NNS(=O)(=O)c1cc(C(=O)[O-])c(F)cc1Cl)c1ccccc1,C63876990_decoy,PA2GA,Decoy,0,-9.60106,-8.39,-2.5,-9.066564326404928
CC(C)(C)N1N[C@@H](/C([O-])=N/c2nc(C(F)(F)F)n[nH]2)C=C1C1CC1,C63941668_decoy,PA2GA,Decoy,0,-10.9324,-8.19,-1.48,-11.429442758730596
CNC(=O)c1cc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)ccc1Cl,C64299552_decoy,PA2GA,Decoy,0,-10.1991,-7.97,-1.38,-9.368441903299084
CC(C)C[C@@H](NC(=O)c1ccc2c([O-])[nH]c(=S)nc2c1)c1ccccc1,C65626931_decoy,PA2GA,Decoy,0,-11.9249,-6.62,-1.45,-8.507629967611228
Cc1cc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)ccc1C(=O)NC(C)C,C66426978_decoy,PA2GA,Decoy,0,-9.15413,-8.03,-2.54,-8.381372307793493
NC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cc1,C66575070_decoy,PA2GA,Decoy,0,-11.1242,-5.57,-3.07,-6.551262979636051
CNC(=O)Nc1ccc([N-]S(=O)(=O)/C=C/c2ccccc2Cl)cc1,C66578947_decoy,PA2GA,Decoy,0,-9.1118,-6.15,-2.63,-6.57843076250942
NC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2cccc(Br)c2)cc1F,C66584930_decoy,PA2GA,Decoy,0,-11.6607,-6.78,-2.62,-8.660425521750682
Cc1cc(NC(=O)[C@@H]2CC=CC[C@@H]2C(=O)[O-])ccc1C(=O)NC(C)C,C66585499_decoy,PA2GA,Decoy,0,-10.2618,-7.6,-2.07,-7.429021305146743
Cc1cc(NC(=O)[C@H]2CC=CC[C@H]2C(=O)[O-])ccc1C(=O)NC(C)C,C66585504_decoy,PA2GA,Decoy,0,-10.5391,-6.59,-1.63,-7.0333340265293485
Cc1ccc([N-]S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1C(N)=O,C66587164_decoy,PA2GA,Decoy,0,-9.98956,-7.54,-1.98,-8.546037013216544
Cc1ccc(S(=O)(=O)NNC(=O)c2sccc2C)cc1C(=O)[O-],C66588820_decoy,PA2GA,Decoy,0,-10.6915,-8.63,-1.59,-8.778154066530268
CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1,C67124402_decoy,PA2GA,Decoy,0,-7.23073,-8.41,-3.24,-7.568176769835963
CCc1nnc(NC(=O)CSc2nc3ccc(NC(=O)[C@@H]4CCCC[C@@H]4C(=O)[O-])cc3s2)s1,C06860917_decoy,PA2GA,Decoy,0,-11.3851,-8.02,-0.83,-7.452871429216139
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1,C08819600_decoy,PA2GA,Decoy,0,-11.7354,-9.18,-2.16,-8.750680853664166
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(C(=O)[O-])c(O)c1,C08820053_decoy,PA2GA,Decoy,0,-12.2611,-9.15,-1.78,-8.814834286559655
O=C(CCCCCN1C(=O)/C(=C/c2ccc3c(c2)OCO3)SC1=S)Nc1ccc(O)c(C(=O)[O-])c1,C08820054_decoy,PA2GA,Decoy,0,-12.3479,-7.54,-2.8,-9.140909720353292
CC[C@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](CC(C)C)C(=O)[O-])CC1,C08918339_decoy,PA2GA,Decoy,0,-11.9113,-7.47,-4.01,-8.530334448598788
CC(C)[C@@H](NC(=O)/C(=C\c1cccc([N+](=O)[O-])c1)NC(=O)c1ccccc1Br)C(=O)[O-],C12382000_decoy,PA2GA,Decoy,0,-10.9888,-9.52,-2.29,-12.491281347984357
CSC[C@H](NC(=O)C1CCN(C(=O)[C@H](CC(C)C)NC(=O)OC(C)(C)C)CC1)C(=O)[O-],C12863626_decoy,PA2GA,Decoy,0,-11.6249,-7.48,-2.27,-9.144905004905134
Cc1coc2cc3oc(=O)c(CC(=O)NCCCC(=O)NCC4CCC(C(=O)[O-])CC4)c(C)c3cc12,C12864963_decoy,PA2GA,Decoy,0,-11.6794,-10.09,-3.24,-11.058634208710318
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@H](C(=O)[O-])C(C)C)CC1,C12865314_decoy,PA2GA,Decoy,0,-9.51371,-7.51,-3.23,-7.61775749517981
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)N[C@@H](CSC)C(=O)[O-])CC1,C12866068_decoy,PA2GA,Decoy,0,-10.7162,-6.85,-2.83,-8.444794112565974
CC(C)CNC(=O)NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1CC(=O)[O-],C13204171_decoy,PA2GA,Decoy,0,-11.7311,-7.87,-1.36,-10.900345573105003
CCC(C)(C)C1CCC(Nc2ccc(S(=O)(=O)NCCC(=O)[O-])cc2[N+](=O)[O-])CC1,C13212730_decoy,PA2GA,Decoy,0,-11.0453,-7.47,-1.79,-11.2512865322766
C[C@H](C(=O)[O-])n1c(SCC(=O)N(CCC(N)=O)c2ccccc2Cl)nc2ccccc2c1=O,C13245255_decoy,PA2GA,Decoy,0,-11.1327,-7.55,-2.95,-8.8075418544452
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)NCCC/C(=N/O)c2cccs2)c1OC,C13248686_decoy,PA2GA,Decoy,0,-13.3097,-6.84,-1.98,-8.704596820578637
CCN(CC)S(=O)(=O)c1ccc(NC)c(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)c1,C13250906_decoy,PA2GA,Decoy,0,-10.7918,-8.5,-3.73,-11.861880784893708
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])ccc2OC)cc1,C13251207_decoy,PA2GA,Decoy,0,-10.8023,-7.39,-2.57,-7.471055355562575
C/C(=N\NC(=O)c1ccc(-n2c(C)ccc2C)cc1)c1ccc(S(=O)(=O)NCCC(=O)[O-])cc1,C13264115_decoy,PA2GA,Decoy,0,-10.4863,-6.26,-1.51,-5.72280842517665
O=C([O-])c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)NCc3ccco3)cc2)cc1,C13264890_decoy,PA2GA,Decoy,0,-9.75279,-5.57,-1.76,-6.316696443275611
O=C([O-])c1cc(S(=O)(=O)NCCCCCc2nc(-c3cccs3)no2)ccc1O,C13314865_decoy,PA2GA,Decoy,0,-11.4769,-8.66,-2.35,-9.712421010744576
CCN(CC)S(=O)(=O)c1ccc(NS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)cc1,C13345575_decoy,PA2GA,Decoy,0,-10.087,-7.78,-2.08,-8.580517095951713
C=CCn1c(SCC(=O)NCC(=O)Nc2c(C)cc(C)cc2C)nc2cc(C(=O)[O-])ccc2c1=O,C13363619_decoy,PA2GA,Decoy,0,-9.29271,-7.77,-2.55,-7.42108113587491
O=C([O-])CNS(=O)(=O)c1cccc(C(=O)/C=C/c2cccc(NC(=O)c3ccccc3Cl)c2)c1,C13366673_decoy,PA2GA,Decoy,0,-10.1513,-9.67,-2.68,-8.068786625473022
O=C(N[C@@H](Cc1ccc(O)c([N+](=O)[O-])c1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C21991921_decoy,PA2GA,Decoy,0,-10.1263,-10.21,-1.12,-14.308823009127469
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2cccc(NC(=O)C(C)(C)C)c2)c1OC,C25473630_decoy,PA2GA,Decoy,0,-10.3279,-8.57,-3.29,-8.74647191901249
CC(C)(C)n1nc(C2CC2)c2c(-c3ccc(F)cc3)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C3CC3)nc21,C28265721_decoy,PA2GA,Decoy,0,-10.876,-8.47,-2.4,-10.600895288803166
COc1cc(OC)cc(C(=O)N[C@@H](N/C(=N/C#N)[N-]c2ccc(Cl)nc2)C(C)(Cl)Cl)c1,C28866464_decoy,PA2GA,Decoy,0,-10.0461,-6.68,-1.99,-7.293315703999163
CCOc1ccc([N-]S(=O)(=O)c2cc(C(=O)Nc3ccc(OCC)cc3)[nH]n2)cc1,C32950938_decoy,PA2GA,Decoy,0,-9.78309,-8.68,-4.16,-7.727268062744385
CCCCNC(=O)C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3ccccc3C)cc2C(=O)[O-])CC1,C33253165_decoy,PA2GA,Decoy,0,-11.6552,-9.58,-3.39,-11.421800937189008
CCCNC(=O)C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)cc3C)cc2C(=O)[O-])CC1,C33253174_decoy,PA2GA,Decoy,0,-10.3507,-9.42,-2.07,-8.799406237450734
CCCNC(=O)C[NH+]1CCN(c2ccc([N-]S(=O)(=O)c3ccc(C)c(C)c3)cc2C(=O)[O-])CC1,C33253175_decoy,PA2GA,Decoy,0,-10.6361,-9.46,-3.6,-8.68995414899169
CCOc1cc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2CCOCCO)ccc1O,C35384767_decoy,PA2GA,Decoy,0,-9.31471,-8.04,-1.28,-8.86175663734574
CN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1cccc(O)c1,C36530065_decoy,PA2GA,Decoy,0,-10.5628,-8.24,-1.97,-8.729503288179743
COc1cc(/C=C(\NC(=O)c2ccccc2)C(=O)N[C@H](C(=O)[O-])c2ccccc2)cc(OC)c1OC,C02109321_decoy,PA2GA,Decoy,0,-10.3847,-7.44,-2.16,-9.008848032477118
O=C(/C=C/c1cccs1)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2ccccc2C(F)(F)F)cc1,C06058770_decoy,PA2GA,Decoy,0,-11.908,-8.41,-1.36,-8.147932795673398
O=C(Nc1ccccc1C(=O)NC[C@H]1CCCO1)c1ccc([N-]S(=O)(=O)c2ccccc2)cc1Cl,C38754609_decoy,PA2GA,Decoy,0,-11.6687,-8.7,-1.41,-8.485863651406763
CCOc1cc([C@@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OC(=O)c1cccc(C)c1,C39015683_decoy,PA2GA,Decoy,0,-11.1942,-9.09,-2.8,-11.53079454417942
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@H]2c2cc(Br)c(O)c(OC)c2)c(C)c1,C40081603_decoy,PA2GA,Decoy,0,-11.4627,-7.14,-2.2,-9.097151013674306
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@@H]2c2cc(Br)c(O)c(OC)c2)c1,C40102240_decoy,PA2GA,Decoy,0,-11.3502,-8.38,-2.83,-12.159602383422904
CCc1c(C)sc2nc(SCC(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])n(CC)c(=O)c12,C13427618_decoy,PA2GA,Decoy,0,-10.9197,-7.6,-2.46,-7.460742673390333
C=CCn1c(SCC(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nc2sc(CC)cc2c1=O,C13416927_decoy,PA2GA,Decoy,0,-12.5788,-9.1,-2.1,-12.920688911674322
C=CCn1c(SCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])nnc1-c1ccc(F)cc1,C13397501_decoy,PA2GA,Decoy,0,-11.5674,-7.41,-3.66,-10.84769845766539
Cc1ccc(S(=O)(=O)[N-]c2cccc(C(=O)O[C@@H](C)C(=O)NC(=O)NC3CC3)c2)cc1F,C28796634_decoy,PA2GA,Decoy,0,-9.66345,-7.79,-2.99,-7.617029732143981
CC(=O)N/C(=C\c1ccc(OS(=O)(=O)c2ccc(C)cc2)cc1)C(=O)Nc1ccc(C(=O)[O-])cc1,C02261742_decoy,PA2GA,Decoy,0,-10.1275,-8.02,-4.82,-7.294471540347926
CCc1ccccc1S(=O)(=O)Nc1ccc(N2CCN(CC(=O)NC(C)C)CC2)cc1C(=O)[O-],C33007085_decoy,PA2GA,Decoy,0,-11.2695,-9.52,-2.1,-9.066868852788938
CCCNC(=O)CN1CCN(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)c(C(=O)[O-])c2)CC1,C33259960_decoy,PA2GA,Decoy,0,-12.5072,-7.35,-3.33,-8.53347449767317
CCCNC(=O)CN1CCN(c2ccc(NS(=O)(=O)c3ccccc3CC)c(C(=O)[O-])c2)CC1,C33260000_decoy,PA2GA,Decoy,0,-11.8091,-9.53,-4.63,-10.368600890641869
CC(C)NC(=O)CN1CCN(c2ccc(C(=O)[O-])cc2NS(=O)(=O)c2ccc(F)c(F)c2)CC1,C33253256_decoy,PA2GA,Decoy,0,-12.2745,-8.04,-2.79,-9.52442821424292
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(C(C)=O)cc2)nc1[O-],C45900351_decoy,PA2GA,Decoy,0,-12.2032,-8.04,-2.5,-9.559296026756398
CCCCC(=O)NC(=S)Nc1ccc(S(=O)(=O)[N-]c2cc(OC)ncn2)cc1,C66200659_decoy,PA2GA,Decoy,0,-12.5086,-7.26,-1.71,-12.34177059442036
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)C(C)(C)C)cc2)ncn1,C66200663_decoy,PA2GA,Decoy,0,-11.3995,-7.94,-1.3,-11.03049543802661
CC(C)[C@H](NC(=O)C1CCN(C(=O)[C@@H](NC(=O)OC(C)(C)C)C(C)C)CC1)C(=O)[O-],C04073723_decoy,PA2GA,Decoy,0,-10.6975,-7.95,-1.55,-9.089393263786558
CC1(C)CC(=O)c2c(O)cc(OCC(=O)NC[C@H](CC(=O)[O-])c3ccc(Cl)cc3)cc2O1,C08764441_decoy,PA2GA,Decoy,0,-9.73239,-8.45,-3.14,-8.237480068006127
COc1ccc([C@@H](CC(=O)[O-])NC(=O)CCc2c(C)c3ccc(O)c(C)c3oc2=O)cc1OC,C08765202_decoy,PA2GA,Decoy,0,-11.5456,-8.93,-1.8,-9.43006950791378
CC[C@@H](C)[C@H](NC(=O)OC(C)(C)C)C(=O)N1CCC(C(=O)NC2(C(=O)[O-])CCCCC2)CC1,C08918313_decoy,PA2GA,Decoy,0,-9.82128,-7.2,-3.0,-7.247435589295154
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)N2CCC(C(=O)N[C@H](C(=O)[O-])c3ccccc3)CC2)cc1,C08918418_decoy,PA2GA,Decoy,0,-9.22645,-8.37,-2.21,-8.00388933801022
O=C([O-])c1cccc(S(=O)(=O)Nc2cccc(S(=O)(=O)NCc3ccco3)c2)c1,C09126054_decoy,PA2GA,Decoy,0,-9.86916,-6.9,-3.35,-6.594623948151402
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@@]2(C)C1=O)C(=O)[O-],C12877753_decoy,PA2GA,Decoy,0,-9.60864,-5.43,-2.41,-5.750878300932969
CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@H](C(=O)[O-])C(C)C)cc1,C13024902_decoy,PA2GA,Decoy,0,-9.56181,-6.94,-2.04,-7.3154972755004035
CC(=O)Nc1ccc(NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H](C(=O)[O-])C(C)C)cc1,C13024904_decoy,PA2GA,Decoy,0,-10.6019,-8.38,-1.54,-20.9283065820114
CCCNC(=O)NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1CC(C)C,C13049101_decoy,PA2GA,Decoy,0,-10.6381,-8.42,-2.24,-8.766789812668478
COc1ccc(CNC(=O)[C@@H](C)Sc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@@H](C)O)cc1,C13051690_decoy,PA2GA,Decoy,0,-10.1718,-8.41,-2.82,-9.247990537932912
COc1ccc(CNC(=O)[C@H](C)Sc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@H](C)O)cc1,C13051693_decoy,PA2GA,Decoy,0,-9.32174,-8.91,-1.55,-9.075502398662522
COc1cc(C(=O)NNS(=O)(=O)c2ccc(C(=O)[O-])cc2)ccc1OC(C)C,C13059461_decoy,PA2GA,Decoy,0,-9.71814,-7.96,-1.65,-7.047469614187815
CCOC(=O)N/N=C(\C)c1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1,C13066464_decoy,PA2GA,Decoy,0,-9.9621,-6.99,-2.74,-6.175719974115954
C/C(=N\NC(=S)Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1,C13066530_decoy,PA2GA,Decoy,0,-11.7786,-8.04,-1.53,-9.788685402601027
CCN(CC(=O)Nc1ccc(NC(C)=O)cc1)S(=O)(=O)c1ccc(C(=O)[O-])cc1,C13068727_decoy,PA2GA,Decoy,0,-10.0019,-7.87,-2.6,-8.325215130192651
O=C([O-])c1ccc(Cl)c(S(=O)(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])c1,C13184572_decoy,PA2GA,Decoy,0,-8.71628,-9.12,-2.21,-9.242489663767955
O=C([O-])c1cc(S(=O)(=O)NCCNc2ccc(C(F)(F)F)cc2[N+](=O)[O-])ccc1Cl,C13184575_decoy,PA2GA,Decoy,0,-9.01402,-9.04,-1.69,-8.210935098386715
C[C@@H]1[C@@H](C)CCC[C@H]1NC(=O)NC(=O)CSc1nnc(-c2cccs2)n1CCC(=O)[O-],C13193093_decoy,PA2GA,Decoy,0,-11.547,-8.25,,99.0
CCCc1nnc(SCC(=O)NC(=O)N[C@H]2CCC[C@H](C)[C@@H]2C)n1CC(=O)[O-],C13203164_decoy,PA2GA,Decoy,0,-12.9368,-7.71,-1.3,-10.52784640341488
CCCc1nnc(SCC(=O)NC(=O)N[C@H]2CCCC[C@H]2C)n1CC(=O)[O-],C13203172_decoy,PA2GA,Decoy,0,-11.1253,-7.32,-1.62,-9.458620551936743
C=CCn1c(SCC(=O)NCC(=O)NC(C)C)nc2cc(C(=O)[O-])ccc2c1=O,C13230785_decoy,PA2GA,Decoy,0,-10.6079,-7.59,-1.3,-10.321803182684858
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)n2)o1,C13239929_decoy,PA2GA,Decoy,0,-10.8706,-9.29,-2.06,-8.419399944505681
CCNc1nnc(SCC(=O)Nc2cc(OC)c(OC)cc2C(=O)[O-])s1,C13245365_decoy,PA2GA,Decoy,0,-10.1351,-6.89,-3.16,-8.245595473984999
C/C(=N\NC(=O)CNc1ccccc1)c1ccc(S(=O)(=O)N2CCC(C(=O)[O-])CC2)cc1,C13264155_decoy,PA2GA,Decoy,0,-11.2012,-7.47,-3.37,-7.497465427738462
CC(C)NC(=O)NC(=O)CSc1nnc(-c2cccs2)n1[C@H](C(=O)[O-])C(C)C,C13271580_decoy,PA2GA,Decoy,0,-9.62197,-7.7,-1.35,-11.656759104258253
COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c1,C13347309_decoy,PA2GA,Decoy,0,-8.85009,-6.82,-3.29,-6.732958730259991
CCNC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1,C21364348_decoy,PA2GA,Decoy,0,-11.9715,-8.69,-4.02,-11.727981704349178
Cc1ccc(C(=O)CCC(=O)NNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)s1,C22259670_decoy,PA2GA,Decoy,0,-11.8533,-8.72,-1.64,-9.049207097431257
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)Nc2ccc(F)c(NC(C)=O)c2)c1OC,C25510044_decoy,PA2GA,Decoy,0,-10.0069,-8.05,-3.09,-10.13050893624714
Cc1ccccc1S(=O)(=O)[N-]c1ccc(N2CC[NH+](CC(=O)NC(C)(C)C)CC2)cc1C(=O)[O-],C33007045_decoy,PA2GA,Decoy,0,-10.7331,-6.71,-2.54,-6.863780640306503
Cc1ccc(C)c(S(=O)(=O)[N-]c2ccc(N3CC[NH+](CC(=O)NC(C)C)CC3)c(C(=O)[O-])c2)c1,C33253149_decoy,PA2GA,Decoy,0,-10.6546,-7.58,-2.46,-7.284959160698428
CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C(=O)NC(C)(C)C)c1ccccc1O,C36570153_decoy,PA2GA,Decoy,0,-9.52948,-7.48,-2.05,-9.124927820189123
O=C(COC(=O)c1cccc([N-]S(=O)(=O)c2ccc(F)c(F)c2)c1)NC(=O)NC1CCCC1,C08686669_decoy,PA2GA,Decoy,0,-12.2577,-10.0,-4.51,-10.918638439295952
C=CCn1c(CC2=CS[C@H](NC(=O)[C@H]3CCCN(C(=O)OC(C)(C)C)C3)[N-]2)n[nH]c1=S,C38798812_decoy,PA2GA,Decoy,0,-12.4868,-7.97,-1.75,-8.811016870536399
CCOc1cc([C@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OC(=O)c1ccc(F)cc1,C39422174_decoy,PA2GA,Decoy,0,-10.5512,-9.5,-2.58,-10.833857793619728
CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1cccc(S(=O)(=O)[N-]c2cccc(Cl)c2)c1,C24893908_decoy,PA2GA,Decoy,0,-11.3527,-9.81,-0.97,-9.688677282312174
CC(C)NC(=O)NC(=O)[C@@H](C)OC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(Cl)s1,C24894394_decoy,PA2GA,Decoy,0,-12.7094,-6.84,-2.44,-8.774190183194472
CC(C)C[C@@H](NC(=O)[C@H](CC(C)C)N1C(=O)N2CCc3c([nH]c4ccccc34)[C@]2(C)C1=O)C(=O)[O-],C02130471_decoy,PA2GA,Decoy,0,-9.85028,-9.52,-2.44,-8.89279526191402
O=C(Cn1c([S-])nnc1-c1cccs1)NCCNc1ccccc1[N+](=O)[O-],C09916791_decoy,PA2GA,Decoy,0,-9.65167,-7.26,-2.38,-8.850686226860441
Cc1cc([C@@H](OC[C@@H](O)CNc2nnn[n-]2)c2ccncc2)c2cc(Br)ccc2n1,C49049394_decoy,PA2GA,Decoy,0,-9.96904,-7.43,-0.75,-8.78124713655963
CCOC(=O)c1c(NC(=O)CSc2nc(=O)c3c(C)c(C(=O)[O-])sc3[nH]2)sc(C)c1C,C54138222_decoy,PA2GA,Decoy,0,-12.7806,-7.39,-1.38,-9.294594671818125
CCCCc1ccc(NS(=O)(=O)c2cc(C(=O)Nc3nnn[n-]3)ccc2C)cc1,C57681367_decoy,PA2GA,Decoy,0,-11.542,-7.65,-2.5,-8.059155988254071
Cc1c(F)cccc1S(=O)(=O)[N-]c1ccc(C(=O)O[C@H](C)C(=O)NC(=O)NC2CC2)cc1,C28796187_decoy,PA2GA,Decoy,0,-9.93757,-8.8,-3.25,-8.281334005543707
O=[N+]([O-])c1ccc(NCCO)c([N-]S(=O)(=O)c2ccccc2OC(F)(F)F)c1,C26540625_decoy,PA2GA,Decoy,0,-8.29349,-7.86,-1.84,-8.749235023871854
O=C([O-])c1ccc(CNC(=S)NC(=O)c2ccc(N3CCCCC3)c([N+](=O)[O-])c2)cc1,C20153060_decoy,PA2GA,Decoy,0,-9.04432,-8.41,-3.16,-7.254822840458361
COC(=O)Cc1cc(=O)nc(N/C(=N/C(=O)c2ccccc2)[N-]c2ccccc2C)[nH]1,C18085129_decoy,PA2GA,Decoy,0,-9.78029,-8.77,-2.35,-9.023748075192929
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCN(CC(=O)NC(C)C)CC3)cc2C(=O)[O-])cc1C,C33007005_decoy,PA2GA,Decoy,0,-12.03,-7.79,-2.38,-8.242624584714175
CC(C)NC(=O)CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1,C33259862_decoy,PA2GA,Decoy,0,-12.4625,-7.27,-2.43,-7.85434503479109
CC(C)(C)NC(=O)CN1CCN(c2ccc(NS(=O)(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1,C33259867_decoy,PA2GA,Decoy,0,-11.6555,-6.38,-3.92,-7.074895544803151
COC(=O)c1c(NC(=O)[C@@H]2CCCC[C@@H]2C(=O)[O-])sc(C)c1-c1ccc(C(C)C)cc1,C03864159_decoy,PA2GA,Decoy,0,-10.4567,-7.34,-2.69,-7.519346829715103
CC(C)=C1[C@H]2CC[C@@H]1[C@@H](C(=O)NCCC(c1ccccc1)c1ccccc1)[C@@H]2C(=O)[O-],C05457098_decoy,PA2GA,Decoy,0,-9.86896,-9.2,-1.73,-7.939008082220904
O=C([O-])CC/C=C/C[C@@H]1CO[C@H](c2ccccc2Cl)O[C@@H]1c1ccccc1O,C06474088_decoy,PA2GA,Decoy,0,-12.0649,-9.07,-1.14,-10.578270241439151
Cc1ccc(-c2csc3ncnc(SCC(=O)NCc4ccc(C(=O)[O-])cc4)c23)cc1,C13058004_decoy,PA2GA,Decoy,0,-11.1714,-5.56,-1.31,-7.430152003678295
O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCC1=CCCCC1,C13192138_decoy,PA2GA,Decoy,0,-9.69337,-6.71,-0.59,-6.824212291060309
O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1cccs1,C13192171_decoy,PA2GA,Decoy,0,-10.81,-8.47,-1.59,-9.345280814639889
CC[C@@H](C)c1ccc([C@H](NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c2cccs2)cc1,C13312833_decoy,PA2GA,Decoy,0,-13.4247,-8.36,-2.11,-13.023617643574909
Cc1ccc(S(=O)(=O)N[C@H](c2ccc(C(C)C)cc2)c2cccs2)cc1C(=O)[O-],C13312889_decoy,PA2GA,Decoy,0,-10.8171,-7.76,-1.99,-11.062662459530802
C=CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccccc2)cc1OC,C15107216_decoy,PA2GA,Decoy,0,-10.4533,-5.87,-1.77,-6.725856073985894
CCOC(=O)c1c(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)sc2c1CC[C@H](C(C)(C)C)C2,C15746361_decoy,PA2GA,Decoy,0,-12.2693,-8.44,-2.28,-9.449737113361056
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)sc2c1CC[C@H](C(C)(C)C)C2,C15746363_decoy,PA2GA,Decoy,0,-12.6665,-8.71,-1.42,-10.0060412230501
CCOC(=O)c1c(NC(=O)[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)[O-])sc2c1CC[C@H](C(C)(C)C)C2,C17136271_decoy,PA2GA,Decoy,0,-12.4869,-8.98,-1.23,-9.70937411307706
O=C([O-])CS/C(=C\c1cccc(NC(=O)c2ccccc2Cl)c1)c1nc2ccccc2s1,C19309573_decoy,PA2GA,Decoy,0,-10.6071,-9.36,-3.2,-9.685700596143247
Cc1ccc(C)c(-c2csc(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])c2C(=O)OC(C)C)c1,C19638739_decoy,PA2GA,Decoy,0,-11.5251,-9.19,-2.43,-12.197891093332998
CCCCc1ccc([C@H](NC(=O)c2ccc(C(F)(F)F)nc2[O-])C(C)C)cc1,C25062711_decoy,PA2GA,Decoy,0,-11.7662,-6.46,-2.38,-7.777801518717576
O=C([O-])c1cc(NS(=O)(=O)c2ccc(F)cc2)ccc1N1CCC(Cc2ccccc2)CC1,C33253337_decoy,PA2GA,Decoy,0,-12.0727,-9.16,-3.64,-9.27684370689574
C#CCN/C([O-])=C/C1=CSC2=NC(CC)=C(C(=O)OC)[C@H](c3cc(C)ccc3C)N12,C34923146_decoy,PA2GA,Decoy,0,-11.3172,-8.18,-3.15,-10.42296129988156
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC(C)C)N2[C@@H]1c1ccc(F)cc1,C35696105_decoy,PA2GA,Decoy,0,-11.087,-8.16,-2.13,-9.819830509412158
CCC1=C(C(=O)OC)[C@H](c2ccc(Cl)cc2)N2C(/C=C(\[O-])NC3CC3)=CSC2=N1,C35696768_decoy,PA2GA,Decoy,0,-10.0165,-7.49,-0.5,-8.636626975355616
CCN/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccs3)N12,C35701996_decoy,PA2GA,Decoy,0,-8.3495,-7.36,-1.03,-5.732177150687654
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC(C)C)N2[C@@H]1c1ccccc1C,C36049911_decoy,PA2GA,Decoy,0,-11.0626,-7.52,-2.04,-9.565054566806388
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC3CC3)N2[C@H]1c1cc(C)ccc1C,C36050331_decoy,PA2GA,Decoy,0,-8.4052,-7.96,-2.17,-6.148558650992921
CC1=C(C(=O)OC(C)C)[C@H](c2ccccc2Cl)N2C(/C=C(\[O-])NC3CC3)=CSC2=N1,C36050480_decoy,PA2GA,Decoy,0,-8.76205,-7.17,-1.85,-5.904865166425867
COC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCC(C)C)N2[C@@H]1c1cccs1,C36053278_decoy,PA2GA,Decoy,0,-11.2363,-7.35,-2.25,-9.318702444345746
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC(C)C)N2[C@@H]1c1ccccc1F,C36053698_decoy,PA2GA,Decoy,0,-10.946,-8.31,-1.69,-9.955370005768875
CC1=C(C(=O)OC(C)(C)C)[C@H](c2ccccc2F)N2C(/C=C(\[O-])NC(C)C)=CSC2=N1,C36061464_decoy,PA2GA,Decoy,0,-8.81868,-7.69,-2.31,-6.0866542307850375
CCN/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cc(C)ccc3C)N12,C36071813_decoy,PA2GA,Decoy,0,-8.63,-7.52,-1.18,-6.116327523548206
Cc1ccc(C)c(NC(=S)N(Cc2cccc(Br)c2)CC2CCC(C(=O)[O-])CC2)c1,C03036495_decoy,PA2GA,Decoy,0,-12.6204,-8.96,-2.22,-14.52189900776768
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)c(C(=O)NCCCc3ccc(F)cc3)c2)cc1,C38772504_decoy,PA2GA,Decoy,0,-9.84714,-9.99,-2.05,-8.892606023543138
CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C39679508_decoy,PA2GA,Decoy,0,-11.6712,-7.77,-1.83,-9.122018329139122
CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C39679535_decoy,PA2GA,Decoy,0,-11.607,-8.54,-2.44,-9.175106351519675
CCOC(=O)c1c(-c2cc(C)ccc2C)csc1NC(=O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C39679537_decoy,PA2GA,Decoy,0,-13.2856,-8.72,-1.86,-14.146640645174232
CC(C)COc1ccc(C(=O)C2=C([O-])C(=O)N[C@H]2c2ccc(C(C)(C)C)cc2)cc1,C40123217_decoy,PA2GA,Decoy,0,-9.42627,-8.09,-2.3,-9.266747280852876
COC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccc(F)cc3)N2[C@H]1c1ccsc1,C40400760_decoy,PA2GA,Decoy,0,-11.6054,-7.9,-1.39,-9.256300476834143
C=CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCC)c1,C39898381_decoy,PA2GA,Decoy,0,-9.62918,-7.9,-2.49,-9.440323065190976
CCOC(=O)c1c(NC(=O)[C@@H]2C3CCC(CC3)[C@H]2C(=O)[O-])sc2c1CC[C@@H](C(C)(C)C)C2,C35898103_decoy,PA2GA,Decoy,0,-12.1151,-6.5,-2.2,-7.715668260188885
CCc1cc(Br)cc2cc(C[C@H](NC(=O)OC(C)(C)C)C(=O)[O-])oc12,C44320220_decoy,PA2GA,Decoy,0,-10.1231,-7.78,-2.37,-11.861249368827236
O=C(N[C@H](Cc1cc(F)cc(C(F)(F)F)c1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44320552_decoy,PA2GA,Decoy,0,-10.9605,-6.59,-1.88,-6.72561210132254
O=C(N[C@H](Cc1ccc2ncccc2c1)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44320780_decoy,PA2GA,Decoy,0,-10.8504,-10.41,-1.38,-9.558366554869195
O=C(N[C@@H](Cc1ccc2c(c1)CCCO2)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44326244_decoy,PA2GA,Decoy,0,-10.653,-10.68,-2.59,-14.146214460898944
Cc1cccc([N-]S(=O)(=O)c2cc(C(=O)N[C@@H](CC(C)C)c3ccccc3)ccc2Cl)c1,C44844965_decoy,PA2GA,Decoy,0,-11.205,-8.87,-2.54,-9.910686229055482
CC(C)[C@H](C)NC(=O)Cc1ccc([N-]S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc1,C17056968_decoy,PA2GA,Decoy,0,-10.5428,-8.48,-1.56,-8.265491226437067
CCOc1ccc(NC(=O)c2ccc(Cl)c(S(=O)(=O)[N-]c3ccc(F)cc3)c2)cc1,C24814413_decoy,PA2GA,Decoy,0,-10.9078,-7.49,-1.71,-7.566473766347915
CC[C@H](C)c1ccc([C@@H](NC(=O)c2ccc(C)c([N-]S(C)(=O)=O)c2)c2cccs2)cc1,C58647633_decoy,PA2GA,Decoy,0,-11.6817,-8.93,-3.05,-11.929094330467926
CC(C)[C@@H](CNC(=O)Cn1c([S-])nnc1-c1ccc(Cl)cc1)c1ccccc1,C58775027_decoy,PA2GA,Decoy,0,-10.8771,-7.81,-1.52,-9.11539948319447
C/C(=C\N=C1\N=C([N-]c2ccc(Cl)c(Cl)c2)S1)NCCN1CCOCC1,C59358142_decoy,PA2GA,Decoy,0,-12.3962,-7.43,-4.06,-8.525540501414431
Cc1ccc(NC(=O)CS(=O)(=O)[N-]c2ccc(N3CCCCC3)cc2)cc1C(F)(F)F,C60166740_decoy,PA2GA,Decoy,0,-11.6313,-8.12,-1.33,-8.649825298845357
C[C@H](CCc1ccc(Br)cc1)NC(=O)c1ccc(Cl)c([N-]S(C)(=O)=O)c1,C60238228_decoy,PA2GA,Decoy,0,-10.9521,-8.3,-2.88,-9.51182970084018
C#CCOc1ccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(C)cc2)cc1OCC,C64796066_decoy,PA2GA,Decoy,0,-11.0775,-8.37,-3.13,-8.280107300155487
C=CCOc1cccc([C@@H]2CC(=O)Nc3c2sc(C(=O)[O-])c3-c2ccc(OC)cc2)c1,C64797152_decoy,PA2GA,Decoy,0,-11.6267,-5.89,-0.99,-6.406599347510661
Cn1ncc(Cl)c1C(=O)NC(=S)Nc1cc([N+](=O)[O-])cc(Cl)c1[O-],C04839046_decoy,PA2GA,Decoy,0,-8.73443,-7.77,-1.06,-7.95352133958262
CC(C)[C@H](C(=O)N[C@@H](C(=O)[O-])c1ccc(O)cc1)n1nnc2ccccc2c1=O,C06758978_decoy,PA2GA,Decoy,0,-11.8882,-8.57,-1.62,-9.653041123476363
CC(C)(CC(=O)[O-])CC(=O)N[C@H]1C[C@H]2C(=O)Nc3ccc(-c4ccco4)cc3C(=O)N2C1,C12604310_decoy,PA2GA,Decoy,0,-9.87868,-8.88,-2.75,-11.091712853600406
Cc1coc2c(C)c3oc(=O)c(CC(=O)NCC(=O)N[C@H](C(=O)[O-])C(C)C)c(C)c3cc12,C02121919_decoy,PA2GA,Decoy,0,-11.1701,-8.58,-1.42,-11.366212464719403
COc1cc(NS(=O)(=O)c2ccc3c(c2)CC(=O)N3)c(C(=O)[O-])cc1OC,C13027940_decoy,PA2GA,Decoy,0,-9.72626,-8.19,-1.94,-8.971715748461872
Cc1ccc(S(=O)(=O)NNC(=O)c2ccc3c(c2)OCCO3)cc1C(=O)[O-],C13278762_decoy,PA2GA,Decoy,0,-8.99029,-9.3,-2.11,-8.97960893450103
COc1cc(OC)cc(C(=O)NNS(=O)(=O)c2cc(C(=O)[O-])cs2)c1,C13300436_decoy,PA2GA,Decoy,0,-10.9409,-8.54,-2.56,-12.79697124256791
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O,C13469791_decoy,PA2GA,Decoy,0,-11.1372,-7.33,-0.97,-7.792597191301131
O=C([O-])[C@H]1CC=CC[C@H]1C(=O)Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O,C13469793_decoy,PA2GA,Decoy,0,-12.3973,-8.8,-1.96,-11.616530887857513
O=C(Nc1cc(S(=O)(=O)N2CCOCC2)ccc1O)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C13469801_decoy,PA2GA,Decoy,0,-12.2019,-8.87,-1.97,-13.730379035853192
CC(C)[C@@H](C(=O)N[C@H](C(=O)[O-])c1ccc(O)cc1)n1nnc2ccccc2c1=O,C13548353_decoy,PA2GA,Decoy,0,-9.91376,-7.92,-1.53,-11.199289151222974
COc1cc([C@@H]2c3cc4c(cc3[C@H](O)[C@H](CO)[C@H]2C(=O)[O-])OCO4)cc(OC)c1OC,C01668755_decoy,PA2GA,Decoy,0,-9.15909,-5.89,-0.34,-6.266065447048181
CCn1cc(C(=O)[O-])c(=O)c2cc(F)c(NN3C(=O)CS[C@@H]3c3ccccc3O)cc21,C01090668_decoy,PA2GA,Decoy,0,-11.645,-6.71,-1.41,-6.578009819762577
CNc1cc(CCNC(=O)c2ccc3oc([O-])nc3c2)nc(-c2ccncc2)n1,C19592308_decoy,PA2GA,Decoy,0,-7.76753,-7.78,-2.44,-6.52911956432593
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)/N=c3/[nH]ccs3)cc2)[C@H]2CC[C@@H]1O2,C17093563_decoy,PA2GA,Decoy,0,-9.95105,-7.24,-1.87,-6.550290620799091
Cc1nc(NC(=O)c2cccc(NC(=O)[C@H]3CCCO3)c2)sc1-c1nnc([S-])n1C,C24764614_decoy,PA2GA,Decoy,0,-11.647,-7.91,-2.37,-7.24937381247117
CCCCN1C(=O)/C(=C2/C[C@@H](c3ccc([N+](=O)[O-])cc3)NN2)C([O-])=NC1=S,C15834810_decoy,PA2GA,Decoy,0,-10.0149,-8.01,-1.21,-8.27912950106974
O=C(NNC(=O)[C@@H]1CC(=O)N(C2CC2)C1)c1ccccc1[N-]S(=O)(=O)c1cccs1,C29564098_decoy,PA2GA,Decoy,0,-10.1995,-6.99,-2.69,-8.75831192777064
O=C(NC1CCC(O)CC1)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1,C33028115_decoy,PA2GA,Decoy,0,-9.67399,-8.53,-0.63,-8.541938286171884
CCOC(=O)c1cccc([N-]S(=O)(=O)c2cc3[nH]c(=O)c(=O)[nH]c3cc2C)c1,C06887343_decoy,PA2GA,Decoy,0,-10.4829,-8.57,-1.98,-9.255262444325428
CC(=O)N[C@H](CC(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1,C09790961_decoy,PA2GA,Decoy,0,-11.412,-8.18,-2.55,-8.74540256037934
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccnc3)cc2)no1,C02264434_decoy,PA2GA,Decoy,0,-10.3516,-7.12,-3.21,-6.481315704426519
C=CCn1c(CC2=CS[C@H](NC(=O)Cn3c(=O)n(C)c4ccccc43)[N-]2)n[nH]c1=S,C38798873_decoy,PA2GA,Decoy,0,-10.3518,-6.96,-1.97,-8.94378633459733
C/C(=N\NC(=O)[C@@H]1C=CC=N1)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1,C39621197_decoy,PA2GA,Decoy,0,-10.7935,-7.41,-4.29,-7.239215281428093
C[C@H]1Oc2nc(CSc3n[nH]c(-c4ccc(Cl)cc4)n3)[nH]c(=O)c2[C@H]1C(=O)[O-],C39692142_decoy,PA2GA,Decoy,0,-12.9305,-9.64,-0.93,-16.966647840612875
C/C(=C1/SC(=S)N([C@H](CCC(N)=O)C(=O)[O-])C1=O)c1ccc([N+](=O)[O-])cc1,C39862256_decoy,PA2GA,Decoy,0,-11.2485,-6.69,-2.58,-8.260575147822468
CCc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)s1,C39998112_decoy,PA2GA,Decoy,0,-12.0777,-5.25,-3.74,-6.231460173010016
O=C(C1=C([O-])C(=O)N(CCCO)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2,C40052975_decoy,PA2GA,Decoy,0,-11.4351,-8.85,-1.74,-9.901758292993495
O=C(C1=C([O-])C(=O)N(CCO)[C@H]1c1ccc(O)cc1)c1ccc2c(c1)OCCO2,C40096507_decoy,PA2GA,Decoy,0,-10.4545,-8.45,-1.66,-9.621564947382128
O=C(C1=C([O-])C(=O)N(CCO)[C@H]1c1cccc(O)c1)c1ccc2c(c1)OCCO2,C40096586_decoy,PA2GA,Decoy,0,-9.89535,-9.19,-3.05,-10.788093576570311
Cc1nc(NC(=O)CCNC(=O)OC(C)(C)C)sc1-c1nnc([S-])n1C,C44380071_decoy,PA2GA,Decoy,0,-11.3048,-7.19,-1.55,-7.102439019794635
COC(=O)[C@H](Cc1cnc[nH]1)NS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1,C13251091_decoy,PA2GA,Decoy,0,-8.94384,-7.1,-1.7,-8.35548684711284
Cc1nnc(N[C@@]2(C(F)(F)F)C(=O)N=C3C2=C([O-])NC(=O)N3Cc2ccccc2)s1,C40266609_decoy,PA2GA,Decoy,0,-10.719,-7.85,-1.01,-8.735763585912645
CN(C)c1ccc(/C=C/C(=O)/C(C#N)=C(\[O-])c2c(N)n(C)c(=O)n(C)c2=O)cc1,C51067546_decoy,PA2GA,Decoy,0,-9.11648,-7.72,-0.57,-8.007097643437568
CCc1nnc(NC(=O)CSc2sc3c(=O)[nH]c([O-])nc3c2C#N)s1,C12413615_decoy,PA2GA,Decoy,0,-12.9289,-7.53,-1.37,-9.561494122071958
CS(=O)(=O)[N-]c1ccc(O)c(C(=O)NC2CCN(c3ncccn3)CC2)c1,C55253245_decoy,PA2GA,Decoy,0,-8.86759,-7.09,-2.49,-6.792549412916358
O=C(C[C@H]1S/C(=N\N=C\c2ccco2)NC1=O)Nc1ccc(C(=O)[O-])cc1,C04980166_decoy,PA2GA,Decoy,0,-9.03803,-8.37,-1.91,-7.91722470135848
CS(=O)(=O)[N-]c1nc(CC(=O)N[C@@H]2CCC(=O)N[C@H]2[C@@H]2CC=CCC2)cs1,C57742706_decoy,PA2GA,Decoy,0,-10.9009,-7.9,-1.16,-8.790271342308625
CC(C)(C)N1C(=O)c2ccc(C(=O)Nc3ccc(NC(=O)C(=O)[O-])cc3)cc2C1=O,C59432174_decoy,PA2GA,Decoy,0,-9.03023,-8.02,-1.94,-7.510882841108175
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(CS(N)(=O)=O)cc1,C55580470_decoy,PA2GA,Decoy,0,-9.09369,-7.49,-2.12,-8.404858665638127
CS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(NC(=O)CN2CCOCC2)cc1,C12753567_decoy,PA2GA,Decoy,0,-10.5277,-7.02,-1.91,-9.436167695377948
O=C(N[C@]1(C(F)(F)F)C(=O)Nc2c1c(=O)nc([O-])n2Cc1ccccc1)c1ccco1,C01850653_decoy,PA2GA,Decoy,0,-8.90885,-6.34,-2.02,-6.506579651361094
CC/C(NNC(=O)c1ccncc1)=C1/C(=O)N=C([O-])N(c2ccccc2C)C1=O,C09359923_decoy,PA2GA,Decoy,0,-9.52636,-9.9,-1.77,-9.302122722932584
COCCCN1C(=O)/C(=C2/C[C@H](c3ccc(N(C)C)cc3)NN2)C(=O)N=C1[O-],C08974699_decoy,PA2GA,Decoy,0,-9.86927,-6.44,-0.84,-7.716160564285116
Cc1ccc(S(=O)(=O)NC2CC2)cc1/C([O-])=N/c1nc(-c2ccccn2)n[nH]1,C64372348_decoy,PA2GA,Decoy,0,-12.3601,-10.28,-4.0,-13.602321323830532
Cc1nc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)sc1SCC(N)=O,C66253842_decoy,PA2GA,Decoy,0,-12.0048,-6.63,-1.42,-8.511143667377551
Cc1ccc(NC(=O)[C@H](C)NC(=O)C2CCOCC2)cc1[N-]S(C)(=O)=O,C66829407_decoy,PA2GA,Decoy,0,-9.15715,-8.34,-2.51,-8.293708962083096
CSC[C@@H](C)/C([O-])=N/S(=O)(=O)c1ccc([C@@]2(C)NC(=O)NC2=O)cc1,C67003642_decoy,PA2GA,Decoy,0,-10.8307,-7.83,-2.24,-8.021811487692414
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(CS(N)(=O)=O)cc1,C67116737_decoy,PA2GA,Decoy,0,-9.63973,-7.93,-1.38,-7.776848252218601
O=C([O-])Cc1cc(C2CCN(c3nccc(N4CCC[C@H](O)C4)n3)CC2)n[nH]1,C67447230_decoy,PA2GA,Decoy,0,-11.6677,-8.27,-0.78,-7.223631162518314
C[C@@H](NC(=O)/C(=C/c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-],C02917885_decoy,PA2GA,Decoy,0,-9.87561,-5.4,-3.74,-5.642987570520436
CCc1ccc([C@H](C)NC(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@@H](C)O)cc1,C13052114_decoy,PA2GA,Decoy,0,-10.0202,-8.32,-1.59,-9.003364742638944
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NNC(=O)CSc2nc3ccccc3s2)c1C,C13078717_decoy,PA2GA,Decoy,0,-10.0289,-9.49,-3.1,-8.56818065451158
O=C(CC1(C(=O)[O-])CCCCC1)Nc1cccc(S(=O)(=O)Nc2ccc(Cl)cc2)c1,C13250662_decoy,PA2GA,Decoy,0,-11.4995,-9.43,-2.78,-10.532007417664884
C/C(=N\Nc1c(Cl)cc(Cl)cc1Cl)c1ccc(S(=O)(=O)N[C@@H](C)C(=O)[O-])cc1,C13336883_decoy,PA2GA,Decoy,0,-11.9402,-7.11,-1.94,-9.57842645108188
C[C@H](Oc1cccc(Br)c1)C(=O)NNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1,C13349652_decoy,PA2GA,Decoy,0,-10.2977,-9.83,-1.73,-11.854230392531525
O=C([O-])/C=C/c1ccc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)cc1,C13349782_decoy,PA2GA,Decoy,0,-10.0959,-7.59,-3.67,-9.473043847003744
CC[C@@H]1CCc2sc(C(=O)NNS(=O)(=O)c3cc(C(=O)[O-])ccc3OC)cc2C1,C13361261_decoy,PA2GA,Decoy,0,-11.6224,-9.38,-3.23,-9.126158975196436
O=C([O-])CCNS(=O)(=O)c1ccc(NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,C13395263_decoy,PA2GA,Decoy,0,-11.4902,-7.55,-2.3,-9.12231682668931
CCC(C)(C)[C@@H]1CCc2c(sc(NC(=O)C[C@H](C)CC(=O)[O-])c2C(=O)NC2CC2)C1,C17099174_decoy,PA2GA,Decoy,0,-11.9759,-6.88,-2.39,-9.146006241505953
COC(=O)C1=C([O-])NC(SCC(=O)Nc2ccc3ccccc3c2)=C(C#N)[C@H]1c1ccc(C)cc1,C20029053_decoy,PA2GA,Decoy,0,-10.4791,-7.42,-1.0,-7.174125478413223
CCOc1ccc(NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(C(C)C)cc3)n[nH]2)cc1,C20849099_decoy,PA2GA,Decoy,0,-10.0984,-9.28,-2.42,-8.070841668156012
CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2c(C)cc(C)cc2C)nc1[O-],C21882723_decoy,PA2GA,Decoy,0,-12.6546,-8.77,-1.95,-11.419942638145436
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2ccc(C)c(Cl)c2)nc1[O-],C21882743_decoy,PA2GA,Decoy,0,-12.2815,-9.99,-2.03,-10.284245856394552
CCCC(=O)c1c(O)c(C[C@]2(C)C(=O)C(C(=O)[C@@H](C)CC)C(=O)C(C)=C2[O-])c(O)c(C)c1OC,C13309261_decoy,PA2GA,Decoy,0,-9.5549,-8.71,-2.97,-11.777633621033724
Cc1ccc(S(=O)(=O)NNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c(Cl)c1,C22513889_decoy,PA2GA,Decoy,0,-13.0937,-8.08,-0.69,-9.74922902356907
C=CCn1c([S-])nnc1-c1sc(NC(=O)CCCNC(=O)c2ccc(F)cc2F)nc1C,C22972905_decoy,PA2GA,Decoy,0,-12.3095,-8.93,-3.04,-8.66859637695987
O=C(N[C@H](c1ccccc1)c1ccc2nc[nH]c2c1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1,C25146410_decoy,PA2GA,Decoy,0,-10.249,-7.0,-3.92,-7.646466850124676
C=CCn1c([S-])nnc1-c1sc(NC(=O)CNC(=O)C23CC4CC(CC(C4)C2)C3)nc1C,C26300581_decoy,PA2GA,Decoy,0,-14.0245,-5.63,-2.05,-8.53195090879907
O=C([O-])CCNC(=O)/C(=C/c1ccc(Cl)cc1Cl)NC(=O)c1ccc(Cl)cc1Cl,C26804431_decoy,PA2GA,Decoy,0,-11.4399,-6.61,-1.54,-10.063528549910313
CC(Cl)(Cl)[C@@H](NC(=O)c1ccc(Cl)cc1)N/C(=N/C#N)[N-]c1cccnc1Cl,C28866315_decoy,PA2GA,Decoy,0,-9.88437,-6.38,-1.32,-6.086635093788018
CN(C)c1ccc(/N=N/c2ccc(C(=O)N[C@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cc2)cc1,C32602896_decoy,PA2GA,Decoy,0,-9.51902,-7.43,-2.63,-6.408312433982701
CC(=C\c1ccccc1)/C=C1/SC(=S)N(CCC(=O)Nc2ccc(O)c(C(=O)[O-])c2)C1=O,C33366744_decoy,PA2GA,Decoy,0,-10.5744,-9.55,-3.11,-10.722672366935525
COc1ccc([O-])c(/C=[NH+]/NC(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)cc3)cc2)c1,C04231864_decoy,PA2GA,Decoy,0,-10.647,-9.48,-4.43,-9.471444313402252
COc1cc([C@@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OCc1c(Cl)cccc1Cl,C38971222_decoy,PA2GA,Decoy,0,-12.0074,-8.91,-3.85,-10.951409803957198
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2c(Cl)cc(C(=O)[O-])cc2Cl)cc1,C13423442_decoy,PA2GA,Decoy,0,-11.3092,-6.69,-3.05,-11.295282185392354
CC(C)CCC[C@H](C)NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@H](C)O,C13052262_decoy,PA2GA,Decoy,0,-11.3854,-7.45,-4.01,-7.7869393966368285
CC1=C(C(=O)[O-])[C@@H](n2c(C)cc(/C=C(\C#N)C(=O)NCCc3c[nH]c4ccccc34)c2C)S[C@H]1C,C39939196_decoy,PA2GA,Decoy,0,-13.1205,-6.89,-2.82,-9.17058722438782
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C([O-])C(=O)N2CCO)ccc1O,C40084799_decoy,PA2GA,Decoy,0,-11.6003,-7.98,-1.84,-9.724949625344143
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCO)[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1,C40098987_decoy,PA2GA,Decoy,0,-12.0644,-7.72,-2.63,-10.17705047857505
CC[C@H](C)C[C@H](C)/C=C(\C)[C@H]1O[C@@H](c2c([O-])c([C@]3(O)CCC(=O)C[C@@H]3O)cn(C)c2=O)CC[C@@H]1C,C40577146_decoy,PA2GA,Decoy,0,-11.6153,-7.49,,99.0
O=C(N[C@@H](Cc1[nH]ncc1Br)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44320783_decoy,PA2GA,Decoy,0,-10.2144,-9.91,-2.0,-15.166249656581645
O=C(N[C@H](Cc1[nH]ncc1Br)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C44320784_decoy,PA2GA,Decoy,0,-13.3353,-9.76,-1.21,-19.515094395086475
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccccc3C(=O)NC(C)C)cc2Cl)cc1,C44904186_decoy,PA2GA,Decoy,0,-11.2979,-8.58,-3.17,-9.156895255270356
COCCCn1c([S-])nc2cc(C(=O)Nc3ccc(C(=O)NC(C)(C)C)cc3)ccc2c1=O,C45914493_decoy,PA2GA,Decoy,0,-12.2503,-8.56,-3.97,-8.490021408068145
Cc1ccc(NC(=O)C(C)C)cc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1,C46838616_decoy,PA2GA,Decoy,0,-10.3331,-9.25,-1.38,-8.02824088179812
CC(=O)Nc1cccc(C(=O)/N=C(\[N-]C[C@H]2CCCO2)Nc2ccc(C)cc2Cl)c1,C46131973_decoy,PA2GA,Decoy,0,-10.7605,-9.8,-2.17,-16.360449027634065
[H]/N=C(C)\C(C(=O)COC(=O)c1c2c(nc3ccccc13)/C(=C/c1ccc(O)cc1)CC2)=C(\C)[O-],C58380205_decoy,PA2GA,Decoy,0,-11.8015,-9.8,-2.22,-13.099637898863216
Cc1cc(S(=O)(=O)[N-]c2ccccc2C(=O)OCc2nc(N)c3ccccc3n2)ccc1F,C58668886_decoy,PA2GA,Decoy,0,-9.63589,-6.38,-3.56,-6.519914824717707
O=S(=O)([N-]c1cccc(Cl)c1)c1cccc(NC(=S)NC[C@@H]2CCCO2)c1,C13069777_decoy,PA2GA,Decoy,0,-10.9952,-9.02,-3.28,-9.59135553748734
C[C@@H](NC(=O)c1cccc(NC(=O)OC(C)(C)C)c1)c1ccccc1[N-]S(C)(=O)=O,C59266498_decoy,PA2GA,Decoy,0,-10.3857,-7.91,-1.83,-8.612924775345226
CCCc1cc([O-])nc(SCC2=C(C(=O)OCC)[C@@H](c3cccs3)NC(=O)N2)n1,C12776052_decoy,PA2GA,Decoy,0,-12.7781,-6.67,-3.68,-9.983629353395512
COc1c(C)cc(Br)cc1C(=O)NC(=S)NCc1ccc(C(=O)[O-])cc1,C20153411_decoy,PA2GA,Decoy,0,-10.6206,-8.27,-2.02,-8.9015442146222
O=C(Nc1ccc(C(=O)Nc2ccccc2[N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1,C36831629_decoy,PA2GA,Decoy,0,-9.93719,-7.73,-1.2,-9.348040850744546
O=C(CN1CCN(c2ccc(NC(=O)c3ccccc3)c(C(=O)[O-])c2)CC1)Nc1ccc(F)cc1,C64590094_decoy,PA2GA,Decoy,0,-11.4809,-6.17,-2.92,-6.466072729716797
CC[C@H](Sc1nnc(-c2ccccc2NC(C)=O)c([O-])n1)C(=O)Nc1ccc(Cl)cc1,C35377890_decoy,PA2GA,Decoy,0,-12.9434,-7.68,-1.83,-9.240997295806102
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3NC(=O)C(C)C)c([O-])n2)c1,C64774580_decoy,PA2GA,Decoy,0,-11.9607,-9.13,-2.16,-10.026288268095842
Cc1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3ccccc3NC(=O)C(C)C)c([O-])n2)cc1C,C64774631_decoy,PA2GA,Decoy,0,-12.0055,-9.52,-2.39,-9.708727539470203
CCC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2c(F)cccc2F)nc1[O-],C64774916_decoy,PA2GA,Decoy,0,-12.5864,-9.78,-1.41,-10.515008369200451
C[C@H]1CCC[C@@](O)(CNc2ccc(S(=O)(=O)[N-]c3ccccc3Cl)cc2[N+](=O)[O-])C1,C65547927_decoy,PA2GA,Decoy,0,-10.398,-9.03,-1.78,-8.805509142971449
CC(C)COc1ccc(C(=O)N/C(=C/c2ccc(Cl)cc2)C(=O)NCCC(=O)[O-])cc1,C02891975_decoy,PA2GA,Decoy,0,-9.78705,-7.86,-3.52,-7.86237389740511
CC(C)C[C@@H](NC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccc(Br)cc1)C(=O)[O-],C02982758_decoy,PA2GA,Decoy,0,-12.0025,-6.8,-4.07,-10.36303125913351
O=C(N[C@H](c1cccc(C(F)(F)F)c1)[C@@H](O)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,C08700609_decoy,PA2GA,Decoy,0,-9.65703,-9.33,-4.51,-9.724522938688017
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(C(=O)[O-])c(O)c3)C2=O)cc1,C08763486_decoy,PA2GA,Decoy,0,-9.31303,-7.55,-2.17,-9.611878225694138
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3ccc(O)c(C(=O)[O-])c3)C2=O)cc1,C08763488_decoy,PA2GA,Decoy,0,-12.6467,-8.27,-1.65,-13.060470386152954
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(C(=O)[O-])c(O)c1,C08820551_decoy,PA2GA,Decoy,0,-11.4462,-8.75,-3.09,-8.6335704643934
CC(C)C[C@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(Br)cc1)C(=O)[O-],C12382136_decoy,PA2GA,Decoy,0,-9.84891,-7.76,-2.77,-9.021141692146248
O=C(C[C@H](C(=O)[O-])c1ccccc1)Nc1ccc(NS(=O)(=O)c2c(Cl)cccc2Cl)cc1,C12630804_decoy,PA2GA,Decoy,0,-12.7432,-5.6,-1.99,-7.253727776332594
O=C(CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1CCO)N[C@@H](c1ccccc1)c1cccs1,C13046630_decoy,PA2GA,Decoy,0,-10.2565,-8.82,-4.28,-9.95987642114882
C[C@H](O)Cn1c(SCC(=O)NCC23CC4CC(CC(C4)C2)C3)nc2cc(C(=O)[O-])ccc2c1=O,C13051661_decoy,PA2GA,Decoy,0,-12.1772,-8.26,-3.08,-8.287857104634616
C[C@H](O)Cn1c(SCC(=O)N[C@@H](C)c2ccc3ccccc3c2)nc2cc(C(=O)[O-])ccc2c1=O,C13052106_decoy,PA2GA,Decoy,0,-10.4145,-9.51,-3.0,-9.475923653662509
C[C@H](O)Cn1c(SCC(=O)N[C@H](C)c2ccc3c(c2)CCCC3)nc2cc(C(=O)[O-])ccc2c1=O,C13052218_decoy,PA2GA,Decoy,0,-11.1631,-8.69,-1.91,-9.722257798863948
CC(=O)Nc1ccc(/C=C/C(=O)c2ccc(S(=O)(=O)NCc3ccc(C(=O)[O-])cc3)cc2)cc1,C13066672_decoy,PA2GA,Decoy,0,-11.0421,-7.05,-2.28,-9.547329349010807
CCCC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)n2)cc1,C13195356_decoy,PA2GA,Decoy,0,-12.7751,-8.28,-4.81,-14.590305526682208
O=C(C[C@H](C(=O)[O-])c1ccccc1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1,C13249175_decoy,PA2GA,Decoy,0,-12.1982,-5.97,-2.54,-6.502136346428437
O=C(CC1(C(=O)[O-])CCCCC1)Nc1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1,C13250418_decoy,PA2GA,Decoy,0,-12.7289,-8.17,-1.99,-10.492625678276704
O=C(CC1(C(=O)[O-])CCCCCC1)Nc1cccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)c1,C13250735_decoy,PA2GA,Decoy,0,-12.2329,-10.18,-3.54,-11.534537717656812
Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1S(=O)(=O)Nc1cccc(C(F)(F)F)c1,C13251876_decoy,PA2GA,Decoy,0,-12.4859,-9.8,-1.71,-10.659810725928663
COc1ccc(CNC(=O)CSc2nnc(NCCc3cccs3)s2)cc1C(=O)[O-],C13278339_decoy,PA2GA,Decoy,0,-12.1449,-8.48,-2.34,-9.54265178443219
O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCc1ccc(NC(=O)C2CC2)cc1,C13279904_decoy,PA2GA,Decoy,0,-11.219,-9.53,-2.23,-9.668499874214996
COc1ccc(CNC(=O)CSc2nnc(NC3CCCCC3)s2)cc1C(=O)[O-],C13341830_decoy,PA2GA,Decoy,0,-12.0015,-9.5,-0.96,-11.530485084158746
CCc1sc(C(=O)N/N=C(\C)c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cc2)cc1C,C13361463_decoy,PA2GA,Decoy,0,-12.3494,-9.34,-3.77,-8.583024949735051
O=C([O-])CCNS(=O)(=O)c1ccc(NC(=O)c2ccc(-c3ccc(F)cc3)s2)cc1,C13395463_decoy,PA2GA,Decoy,0,-10.8924,-7.31,-5.31,-9.0581068848254
CC(=O)NCSC(C)(C)[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C02517146_decoy,PA2GA,Decoy,0,-11.3899,-9.08,-2.21,-14.848306498841056
COc1ccc(NC(=S)Nn2c([S-])nnc2COc2ccc(C(C)(C)C)cc2)cc1,C19808681_decoy,PA2GA,Decoy,0,-10.9774,-7.06,-1.8,-9.938734178814997
CCOC(=O)[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc2sc([O-])nc2c1,C20609182_decoy,PA2GA,Decoy,0,-11.7701,-8.66,-3.9,-10.002787472054097
O=C(Cc1cc([O-])nc(SCC(=O)Nc2ccc(Cl)c(Cl)c2)n1)NCc1cccs1,C22629357_decoy,PA2GA,Decoy,0,-12.026,-8.26,-1.53,-8.74214089014172
CCCC(=O)NC(Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1)(C(F)(F)F)C(F)(F)F,C27572721_decoy,PA2GA,Decoy,0,-10.9804,-7.27,-2.86,-8.54451701621661
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)CSc1nc(C)c(CCO)c([O-])n1,C32522913_decoy,PA2GA,Decoy,0,-12.788,-7.5,-0.74,-11.652566061937463
CN(C)c1ccc(/C=C(\NC(=O)c2ccccc2)C(=O)N/N=C/c2ccc(C(=O)[O-])cc2)cc1,C15936942_decoy,PA2GA,Decoy,0,-11.1249,-8.17,-2.18,-11.553740971690155
CCOc1cc([C@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OCc1ccc(F)cc1,C39422252_decoy,PA2GA,Decoy,0,-10.8685,-8.04,-2.39,-11.469801934006798
O=S(=O)([N-]C[C@@H](c1ccc(-c2ccccc2O)cc1)N1CCN[C@H](F)C1)Oc1ccccc1,C39534081_decoy,PA2GA,Decoy,0,-10.3028,-6.14,-1.78,-5.99780065010257
CC(C)CCC[C@H](C)N1C(=O)c2ccccc2N[C@@H]1SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1,C39668106_decoy,PA2GA,Decoy,0,-11.1517,-9.14,-2.33,-11.944354614951378
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2c(Cl)cc(C(=O)[O-])cc2Cl)cc1,C13423441_decoy,PA2GA,Decoy,0,-11.45,-8.73,-2.31,-12.0708471999716
CC(C)Cc1ccc([C@H](C)NC(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@H](C)O)cc1,C13052077_decoy,PA2GA,Decoy,0,-10.9471,-8.05,-2.17,-9.604863587548104
CC(C)CCC[C@@H](C)NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@H](C)O,C13052261_decoy,PA2GA,Decoy,0,-10.9268,-6.89,-2.37,-9.038372121029925
CC(C)[C@@H](NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@H](C)O)c1ccccc1,C13052584_decoy,PA2GA,Decoy,0,-10.3082,-7.82,-2.29,-8.610825524427176
CC(C)(C)c1cc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2CCOCCO)cc(C(C)(C)C)c1O,C40067200_decoy,PA2GA,Decoy,0,-11.4344,-6.99,-3.81,-11.02420403800976
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)o1,C40075556_decoy,PA2GA,Decoy,0,-10.5291,-7.84,-2.47,-10.764703981882915
CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCO)cc1OCC,C39898006_decoy,PA2GA,Decoy,0,-11.6654,-6.85,-2.7,-10.881950793573491
CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCO)cc1OCC,C39898099_decoy,PA2GA,Decoy,0,-11.4047,-7.24,-0.82,-10.26811998912011
CCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCO)cc1OCC,C39898105_decoy,PA2GA,Decoy,0,-11.9964,-5.64,-1.68,-7.747066136726178
Cc1nc(SC(F)F)nc([O-])c1CCC(=O)NCCNc1ccc(C(F)(F)F)cn1,C46644042_decoy,PA2GA,Decoy,0,-10.4734,-7.65,-3.36,-8.376699708377792
C[C@H](NC(=O)c1ccc(NCCC(=O)c2ccc([N-]S(C)(=O)=O)cc2)cc1)c1ccccc1,C55104718_decoy,PA2GA,Decoy,0,-9.6159,-9.35,-1.91,-8.028561460776427
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3ccc(C(=O)[O-])c(Cl)c3)o2)cc1,C58894659_decoy,PA2GA,Decoy,0,-11.4816,-8.11,-2.14,-7.804208741128992
CC(C)[C@H](NC(=O)c1ccccc1Cl)C(=O)N[C@@H](C)c1ccc([N-]S(C)(=O)=O)cc1,C58915764_decoy,PA2GA,Decoy,0,-11.3116,-7.77,-2.48,-11.500714272842966
CC(C)[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)Nc1ccc([N-]S(C)(=O)=O)cc1,C60019909_decoy,PA2GA,Decoy,0,-9.32826,-8.5,-1.36,-9.42018143579908
O=C(CN1CCN(c2ccc(NC(=O)c3ccccc3F)c(C(=O)[O-])c2)CC1)NCc1ccccc1,C64589550_decoy,PA2GA,Decoy,0,-10.6159,-8.3,-2.44,-7.35550388779311
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(F)c(Cl)c2)nc1[O-],C64774720_decoy,PA2GA,Decoy,0,-12.6379,-8.68,-2.08,-9.670746707965204
CCC(=O)Nc1ccccc1-c1nnc(S[C@H](CC)C(=O)Nc2ccc(F)cc2F)nc1[O-],C64774722_decoy,PA2GA,Decoy,0,-12.5385,-8.5,-1.33,-9.547071210365784
CC(C)Cn1c(SCC(=O)N[C@@H](c2ccccc2)C(C)C)nc2cc(C(=O)[O-])ccc2c1=O,C13049616_decoy,PA2GA,Decoy,0,-10.1058,-8.8,-3.17,-12.214796919391494
CC[C@H](NS(=O)(=O)c1cc(/C=C/C(=O)[O-])cc(OC)c1OC)c1ccc(Br)cc1,C13073398_decoy,PA2GA,Decoy,0,-10.7415,-7.82,-4.37,-11.49488263386819
O=C([O-])c1cc(S(=O)(=O)N2CCCCC2)ccc1NCCc1ccc(OC(F)F)cc1,C13181598_decoy,PA2GA,Decoy,0,-9.94334,-8.15,-2.83,-7.426022730747689
CN(C)S(=O)(=O)c1ccc(NCCSc2ncc(C(F)(F)F)cc2Cl)c(C(=O)[O-])c1,C13212339_decoy,PA2GA,Decoy,0,-10.9216,-5.74,-2.16,-6.582124757122207
COc1cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c(C(=O)[O-])cc1OC,C13244200_decoy,PA2GA,Decoy,0,-9.11422,-9.45,-3.11,-8.852187344667103
C[C@H](OCCCNc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)[O-])c1ccccc1,C13298743_decoy,PA2GA,Decoy,0,-9.60518,-7.41,-2.12,-8.646033180898668
CCCN(CC(=O)Nc1ccc(F)c(F)c1F)S(=O)(=O)c1ccc(CC(=O)[O-])s1,C13308133_decoy,PA2GA,Decoy,0,-12.6151,-7.45,-2.07,-10.658844237228214
C=CCN(c1ccc(Cl)cc1)S(=O)(=O)c1cccc(C(=O)N[C@H](CC(=O)[O-])c2ccccc2)c1,C13427762_decoy,PA2GA,Decoy,0,-9.7074,-7.91,-3.39,-10.58225082314878
CC(C)[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C(=O)[O-])C(C)C)c1ccccc1,C13446597_decoy,PA2GA,Decoy,0,-10.3436,-8.63,-2.91,-13.499408592191648
COC(=O)CCNC(=O)c1ccc([N-]S(=O)(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1,C24348548_decoy,PA2GA,Decoy,0,-11.8082,-8.21,-2.68,-9.414169069081366
CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1)C(Cl)(Cl)Cl,C26967141_decoy,PA2GA,Decoy,0,-12.5388,-6.23,-1.9,-7.889790751506944
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N[C@H]3CCCc4ccccc43)N2[C@@H]1c1ccccc1,C34922725_decoy,PA2GA,Decoy,0,-12.6044,-7.84,-2.77,-9.392558169900784
CCC1=C(C(=O)OC)[C@H](c2ccccc2F)N2C(/C=C(\[O-])NCCCOC)=CSC2=N1,C34923102_decoy,PA2GA,Decoy,0,-12.4627,-7.39,-1.64,-10.236990207380703
CCC1=C(C(=O)OC)[C@H](c2ccc(C)cc2C)N2C(/C=C(\[O-])NCCCOC)=CSC2=N1,C34923274_decoy,PA2GA,Decoy,0,-11.2993,-5.92,-0.7,-8.393698773222109
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N[C@@H](C)CC)N2[C@H]1c1ccc(OC)cc1,C35692664_decoy,PA2GA,Decoy,0,-9.67934,-7.12,-1.01,-8.439582626799298
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])NCc3ccco3)N2[C@H]1c1cccs1,C35692888_decoy,PA2GA,Decoy,0,-10.5945,-8.42,-2.99,-11.132210267582492
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCC(C)C)N2[C@H]1c1cccc(OC)c1,C35693560_decoy,PA2GA,Decoy,0,-10.4157,-7.72,-2.05,-9.010299464064971
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCC3CC3)N2[C@@H]1c1ccc(C)cc1,C35696262_decoy,PA2GA,Decoy,0,-11.1908,-7.76,-2.54,-10.907570048222672
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3cccnc3)N2[C@@H]1c1cccs1,C35697121_decoy,PA2GA,Decoy,0,-12.253,-7.3,-1.39,-9.697696684439666
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@@H]3CCCO3)N2[C@@H]1c1ccccc1,C35697141_decoy,PA2GA,Decoy,0,-12.2405,-6.32,-1.72,-9.086000192716794
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@@H]1c1ccccc1,C35697145_decoy,PA2GA,Decoy,0,-12.8872,-6.45,-3.21,-9.032991144797755
CC1=C(C(=O)OC(C)C)[C@@H](c2ccc(F)cc2)N2C(/C=C(\[O-])NCCc3ccccn3)=CSC2=N1,C35701896_decoy,PA2GA,Decoy,0,-12.2362,-8.29,-3.43,-9.855316241954853
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@@H]1c1cccc(F)c1,C35705102_decoy,PA2GA,Decoy,0,-12.1123,-7.15,-1.95,-9.588308843041233
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@@H]1c1ccccc1,C36049999_decoy,PA2GA,Decoy,0,-11.7707,-7.15,-1.43,-9.672059542818902
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccncc3)N2[C@H]1c1ccccc1Cl,C36053011_decoy,PA2GA,Decoy,0,-10.655,-7.97,-3.62,-9.549142966974276
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccncc3)N2[C@H]1c1ccc(F)cc1,C36053055_decoy,PA2GA,Decoy,0,-10.4044,-8.09,-1.98,-10.67524844283563
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@H]3CCCO3)N2[C@H]1c1ccc(F)cc1,C36053075_decoy,PA2GA,Decoy,0,-11.4127,-7.84,-0.59,-9.840256234940744
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@@H]3CCCO3)N2[C@@H]1c1ccccc1C,C36053131_decoy,PA2GA,Decoy,0,-12.6181,-6.62,-4.08,-8.927245272451886
COCCN/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OC(C)(C)C)[C@H](c3ccccc3F)N12,C36061462_decoy,PA2GA,Decoy,0,-10.1878,-6.86,-2.91,-8.894790263294784
CCCCN(CCCC)C(=O)c1c[nH]c2ccc(S(=O)(=O)[N-]c3cccc(Cl)c3C)cc2c1=O,C06181484_decoy,PA2GA,Decoy,0,-11.6562,-7.97,-4.05,-8.327329317914106
O=C(COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1)Nc1ccccc1C(F)(F)F,C39599242_decoy,PA2GA,Decoy,0,-10.9182,-8.19,-1.96,-9.986368798885124
CC(C)Cc1ccc([C@@H](C)NC(=O)CSc2nc3ccccc3c(=O)n2[C@@H](C(=O)[O-])C(C)C)cc1,C13025609_decoy,PA2GA,Decoy,0,-11.2714,-8.48,-1.95,-12.556476592358152
CC(C)[C@H](C(=O)[O-])n1c(SCC(=O)N[C@@H](C)c2ccc(Cl)cc2)nnc1-c1cccs1,C13271925_decoy,PA2GA,Decoy,0,-13.258,-7.06,-2.38,-11.446514891901938
CC(C)[C@@H](NC(=O)CSc1nnc(-c2cccs2)n1[C@@H](C)C(=O)[O-])c1cccs1,C13443631_decoy,PA2GA,Decoy,0,-13.7961,-7.1,-2.67,-10.343539133300128
COc1cc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CCCO)ccc1OCC(C)C,C40047451_decoy,PA2GA,Decoy,0,-11.2129,-6.98,-4.35,-9.702116131995542
CC(C)Oc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2ccccc2Br)cc1,C40079188_decoy,PA2GA,Decoy,0,-9.66215,-8.03,-2.94,-10.252572122865878
CC(C)COc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@H]2c2cccc(Oc3ccccc3)c2)cc1,C40080717_decoy,PA2GA,Decoy,0,-12.0395,-9.42,-2.18,-11.286080424846729
CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C([O-])C(=O)N2CCO)c1,C40080802_decoy,PA2GA,Decoy,0,-11.3654,-7.86,-2.83,-9.062741543629846
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@@H]2c2ccc(N(CC)CC)cc2)c(C)c1,C40081720_decoy,PA2GA,Decoy,0,-9.98352,-7.33,-2.53,-9.83683182420166
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@H]2c2ccc(N(CC)CC)cc2)c(C)c1,C40081721_decoy,PA2GA,Decoy,0,-10.7383,-7.15,-2.62,-9.8830821935675
CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C([O-])C(=O)N2CCO)c1,C40084839_decoy,PA2GA,Decoy,0,-9.89321,-7.69,-3.22,-11.652379324128123
Cc1cc(OCC(C)C)ccc1C(=O)C1=C([O-])C(=O)N(CCO)[C@H]1c1ccc(N(C)C)cc1,C40084876_decoy,PA2GA,Decoy,0,-10.4933,-5.57,-2.25,-6.2026433283751015
C=CCOc1ccc([C@H]2NC(=O)C([O-])=C2C(=O)c2ccc(OCc3ccc(C)cc3)cc2)cc1OC,C40127544_decoy,PA2GA,Decoy,0,-10.2964,-6.85,-2.02,-8.492666500569637
COc1cc([C@H]2NC(=O)C([O-])=C2C(=O)c2ccc(OCc3ccc(F)cc3)cc2)ccc1OCC(C)C,C40127880_decoy,PA2GA,Decoy,0,-10.1845,-8.26,,99.0
O=C(NCc1ccc(OC[C@@H]2CCCO2)cc1)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1,C46795387_decoy,PA2GA,Decoy,0,-9.61349,-8.44,-4.16,-8.181012492775334
Cc1nc(-c2ccc(CCNC(=O)CS(=O)(=O)[N-]c3ccc(OC(C)C)cc3)cc2)cs1,C59362962_decoy,PA2GA,Decoy,0,-10.9333,-8.07,-2.75,-10.28279889243249
CCCOc1ncccc1CNC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(C)cc1,C60337309_decoy,PA2GA,Decoy,0,-9.51878,-7.24,-3.14,-8.720802430405143
Cc1cc(C)c(S(=O)(=O)Nc2cnc(N(CC(C)C)CC(C)C)c(C(=O)[O-])c2)c(C)c1,C35479640_decoy,PA2GA,Decoy,0,-10.4431,-6.43,-2.03,-7.789441009297776
CCCCN(Cc1ccccc1)c1[nH+]cc([N-]S(=O)(=O)c2cccs2)cc1C(=O)[O-],C35397573_decoy,PA2GA,Decoy,0,-10.413,-7.47,-2.52,-11.381493312653474
CCCCN(CC)c1[nH+]cc(C(=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Br)s1,C64843948_decoy,PA2GA,Decoy,0,-11.414,-7.66,-2.28,-10.560885209736222
O=C(N[C@H](Nc1ccccc1C(=O)[O-])C(=O)c1ccccc1)c1ccco1,C04058724_decoy,PA2GA,Decoy,0,-8.05521,-5.87,-1.26,-6.03243092647819
O=C([O-])c1ccc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])cc1Cl,C03000871_decoy,PA2GA,Decoy,0,-9.83683,-6.43,-1.62,-6.796970577827477
CNS(=O)(=O)c1ccc(NS(=O)(=O)c2cc(C(=O)[O-])cc(C)c2C)cc1,C05135113_decoy,PA2GA,Decoy,0,-9.60401,-7.2,-2.46,-7.446385118207125
O=C([O-])c1cc(NC(=S)NC(=O)c2ccccc2[N+](=O)[O-])ccc1Cl,C06884452_decoy,PA2GA,Decoy,0,-9.54292,-7.88,-2.15,-8.304199336518439
C[C@H](NC(=O)c1ccc(NC2CCCCCCC2)c([N+](=O)[O-])c1)C(=O)[O-],C13036379_decoy,PA2GA,Decoy,0,-9.73095,-8.39,-0.9,-10.962219294813728
C[C@@H]1[C@H](C)CCC[C@@H]1Nc1ccc(C(=O)N[C@@H](C)C(=O)[O-])cc1[N+](=O)[O-],C13036573_decoy,PA2GA,Decoy,0,-9.41288,-8.77,-1.01,-15.31880365229345
C[C@H](Sc1ncc(C(=O)[O-])n1-c1ccc(F)cc1)C(=O)NC(=O)NC1CC1,C13270367_decoy,PA2GA,Decoy,0,-10.59,-7.81,-1.24,-8.438329231226595
O=C([O-])c1ccc(S(=O)(=O)Nc2cccc(C(=O)NC3CC3)c2)cc1,C12557164_decoy,PA2GA,Decoy,0,-10.0211,-8.05,-1.99,-8.591285659719755
CC(C)(C)NC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl,C13312476_decoy,PA2GA,Decoy,0,-9.30203,-5.95,-2.55,-7.386840558564277
C[C@@H](NS(=O)(=O)c1ccc(O)c(C(=O)[O-])c1)c1ccc(S(C)(=O)=O)cc1,C13312991_decoy,PA2GA,Decoy,0,-12.1824,-7.89,-2.67,-11.403959157376574
O=C([O-])/C=C/c1ccc(S(=O)(=O)NNC(=O)c2ccccc2F)cc1,C13346153_decoy,PA2GA,Decoy,0,-10.0792,-9.59,-1.48,-10.255317849958958
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc(C(=O)NCC(=O)[O-])cc2)c1C,C13359980_decoy,PA2GA,Decoy,0,-10.7699,-8.16,-1.65,-8.943947085754827
O=C([O-])[C@H]1CC=CC[C@@H]1C(=O)Nc1ccc(S(=O)(=O)Nc2ccccn2)cc1,C13469637_decoy,PA2GA,Decoy,0,-11.5097,-7.58,-0.98,-8.548102739281418
CCOC(=O)c1ccc([C@H]2[C@@H](C(=O)[O-])[C@H](c3ccc(Cl)cc3)[NH2+][C@H]2C(=O)[O-])cc1,C16082727_decoy,PA2GA,Decoy,0,-9.40794,-4.82,-2.88,-5.778474677682907
CCCCn1c([O-])nc([O-])c([C@H]2[NH2+]CCc3cc(OC)c(OC)cc32)c1=O,C20113850_decoy,PA2GA,Decoy,0,-8.96313,-7.91,-1.55,-11.592377378634522
CC[C@H](C)N1C(=O)/C(=C\c2[nH]c3ccccc3c2CCNC(C)=O)C([O-])=NC1=S,C20437740_decoy,PA2GA,Decoy,0,-11.7135,-6.06,-0.85,-7.915851020790071
Cc1occc1C(=O)NNC(=O)c1ccccc1[N-]S(=O)(=O)c1cccs1,C21197213_decoy,PA2GA,Decoy,0,-9.9532,-7.25,-2.55,-7.84482155150224
O=C([O-])CC1(CC(=O)NNC(=O)c2ccc3c(c2)OCO3)CCCCC1,C32496960_decoy,PA2GA,Decoy,0,-10.305,-7.23,-2.21,-7.542921261980696
O=c1[nH]c([O-])ncc1S(=O)(=O)NCCSCc1c(F)cccc1Cl,C33330674_decoy,PA2GA,Decoy,0,-11.5909,-7.76,-1.71,-14.598519622547842
CC(C)NC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])sc1Br,C36781802_decoy,PA2GA,Decoy,0,-9.46466,-7.1,-1.49,-10.792809764670595
CC[C@H](C)NC(=O)Nc1ccc(S(=O)(=O)[N-]c2ccnc(C)n2)cc1,C39972744_decoy,PA2GA,Decoy,0,-10.9739,-8.93,-2.68,-9.413947373704064
CC[C@@H](Sc1nnc([O-])[nH]c1=O)C(=O)Nc1ccc(C(F)(F)F)cc1,C41605662_decoy,PA2GA,Decoy,0,-11.0793,-8.33,-2.11,-8.1443590124729
CCC(=O)Nc1ccc(C)c(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)c1,C42792381_decoy,PA2GA,Decoy,0,-11.1317,-6.63,-2.77,-8.036129624291087
COC(=O)Nc1ccc(NS(=O)(=O)c2ccc(F)c(C(=O)[O-])c2)cc1,C42795831_decoy,PA2GA,Decoy,0,-9.14125,-6.89,-3.16,-7.504319669411567
CC(C)(C)OC(=O)N[C@H](Cc1cc(O)ccc1Br)C(=O)[O-],C44298462_decoy,PA2GA,Decoy,0,-9.18607,-6.68,-0.96,-10.605297153848694
COc1ccc(NC(C)=O)cc1NS(=O)(=O)c1cc(C(=O)[O-])c(C)cc1C,C45946942_decoy,PA2GA,Decoy,0,-9.52423,-8.29,-2.61,-11.064323593144668
Cc1c(C(=O)[O-])sc2nc(CSc3nnc(NC(C)(C)C)s3)[nH]c(=O)c12,C13246619_decoy,PA2GA,Decoy,0,-13.0769,-7.93,-1.65,-8.549096140666974
CCC1(CC)NC(=O)N(C/C([O-])=C(\C#N)C(=O)NC2CCCCC2)C1=O,C50681428_decoy,PA2GA,Decoy,0,-9.37779,-8.9,-1.21,-9.501475810589175
Cn1cc(S(=O)(=O)[N-]c2ccccc2Sc2ccccc2)cc1C(N)=O,C44667924_decoy,PA2GA,Decoy,0,-9.46179,-8.8,-2.37,-12.429832669632592
O=C(NCCO)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2Cl)cc1,C55621972_decoy,PA2GA,Decoy,0,-9.39028,-7.74,-2.58,-7.003528315736197
COC(=O)Nc1cccc(NC(=O)c2ccccc2[N-]S(C)(=O)=O)c1,C57365090_decoy,PA2GA,Decoy,0,-8.58623,-8.36,-1.43,-8.58224879116272
CCc1sc(C(=O)NNC(=O)c2cccc([N-]S(C)(=O)=O)c2)cc1C,C12677357_decoy,PA2GA,Decoy,0,-10.2762,-8.19,-2.2,-8.933605726999565
NC(=O)COc1ccc([N-]S(=O)(=O)c2ccc(F)c(F)c2F)cc1,C28256485_decoy,PA2GA,Decoy,0,-9.974,-7.27,-1.67,-7.536128856782245
CC(C)[C@H](NS(=O)(=O)c1ccc2ccccc2c1)/C([O-])=N/c1ncn[nH]1,C26258589_decoy,PA2GA,Decoy,0,-11.2189,-7.59,-2.19,-10.52703110350688
O=C(C[C@@H]1SC([N-]N/C=C2\C=Nc3ccccc32)=NC1=O)Nc1ccccc1,C15974319_decoy,PA2GA,Decoy,0,-10.1055,-9.11,-2.58,-9.242531125440328
C[C@@H](NC(=O)CNC(=O)c1ccccc1)c1cccc([N-]S(C)(=O)=O)c1,C46702984_decoy,PA2GA,Decoy,0,-9.16279,-8.83,-1.14,-8.540178104125642
CC(C)(C)OC(=O)NNC(=O)c1ccc(Cl)c([N-]S(C)(=O)=O)c1,C61341894_decoy,PA2GA,Decoy,0,-9.90212,-6.55,-0.86,-7.787216538613267
Cc1ccc([N-]S(=O)(=O)C[C@@H](C)C(=O)Nc2ccc3oc(=O)[nH]c3c2)cc1,C62220184_decoy,PA2GA,Decoy,0,-9.52867,-9.3,-2.78,-8.009049013339899
N#C/C(C(=O)Nc1ccc(F)c(Cl)c1)=C(/[O-])CNc1ccccc1[N+](=O)[O-],C62676059_decoy,PA2GA,Decoy,0,-9.42541,-8.91,-4.09,-8.297553310809214
CCC(=O)Nc1cccc(NC(=O)c2cc(F)ccc2[N-]S(C)(=O)=O)c1,C63734210_decoy,PA2GA,Decoy,0,-9.28404,-8.19,-2.35,-7.424590347079626
COC(=O)Nc1cccc(NC(=O)c2cc(C)ccc2[N-]S(C)(=O)=O)c1,C64298601_decoy,PA2GA,Decoy,0,-9.30987,-8.68,-2.5,-10.29331346822232
COC(=O)Nc1ccc(NC(=O)c2cc(Cl)ccc2[N-]S(C)(=O)=O)cc1,C64489259_decoy,PA2GA,Decoy,0,-9.13042,-8.17,-1.57,-7.915975751326319
CC(=O)Nc1ccc(C)cc1-c1nnc(SCC(=O)Nc2cccc(F)c2)nc1[O-],C64774907_decoy,PA2GA,Decoy,0,-12.506,-8.43,-1.64,-10.36727137522516
CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCNC(=O)c1ccccc1F,C65876223_decoy,PA2GA,Decoy,0,-9.43258,-6.89,-1.18,-8.327585742905748
Cc1ccc(F)c(S(=O)(=O)[N-]c2nc(C)c(SCC(N)=O)s2)c1,C66253791_decoy,PA2GA,Decoy,0,-10.0368,-6.6,-1.54,-7.230193364440172
Cc1ccc(NC(=O)CC2(C(=O)[O-])CCCCC2)cc1C(=O)NC(C)C,C66585564_decoy,PA2GA,Decoy,0,-10.8007,-8.34,-2.46,-8.840721513531799
CNC(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(NC(=O)OC)c2)cc1,C66587916_decoy,PA2GA,Decoy,0,-8.9647,-8.43,-1.72,-9.06777081818829
CCc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc(F)c(C(N)=O)c1,C67123942_decoy,PA2GA,Decoy,0,-9.3931,-8.02,-2.52,-11.188942875197087
CS(=O)(=O)[N-]c1ccccc1CNC(=O)c1ccc(-n2cccc2)cc1O,C67292704_decoy,PA2GA,Decoy,0,-8.8287,-9.37,-2.49,-8.497294783488888
CN(Cc1ccc(-c2nc([O-])cc(C(F)(F)F)n2)cc1)Cc1n[nH]c(=O)[nH]1,C19744135_decoy,PA2GA,Decoy,0,-10.7983,-7.93,-3.63,-8.312731355623505
CCCCn1c(S[C@H](C)C(=O)Nc2ccc3c(c2)OCCO3)nc2cc(C(=O)[O-])ccc2c1=O,C13044233_decoy,PA2GA,Decoy,0,-10.9114,-8.44,-3.58,-9.26265287669118
CSc1ccccc1NC(=O)[C@H](C)Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@H]1CCCO1,C13053255_decoy,PA2GA,Decoy,0,-9.81105,-7.55,-3.94,-9.225857030789758
C[C@@H](NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@H]1CCCO1)c1ccc(F)cc1,C13053318_decoy,PA2GA,Decoy,0,-12.2803,-8.89,-2.47,-11.049208683441831
C[C@H](NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@@H]1CCCO1)c1cccs1,C13053409_decoy,PA2GA,Decoy,0,-12.4517,-8.63,-2.48,-8.94630025453275
Cc1ccc(CNC(=O)[C@H](C)Sc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@@H]2CCCO2)cc1,C13053611_decoy,PA2GA,Decoy,0,-11.1738,-9.26,-0.95,-10.50155830445097
O=C([O-])c1ccc(CNS(=O)(=O)c2ccc(C(=O)/C=C/c3ccc4c(c3)OCCO4)cc2)cc1,C13066678_decoy,PA2GA,Decoy,0,-11.2589,-8.61,-4.04,-8.672520833193715
CCN(CC)S(=O)(=O)c1ccc([C@H](C)NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1,C13073427_decoy,PA2GA,Decoy,0,-10.95,-7.51,-1.58,-8.956402116534404
CN(c1ccc(-c2csc(NS(=O)(=O)c3ccc(/C=C/C(=O)[O-])cc3)n2)cc1)S(C)(=O)=O,C13093437_decoy,PA2GA,Decoy,0,-10.8083,-8.16,-1.67,-8.687664191273374
CC(C)[C@@H](C(=O)[O-])n1c(SCC(=O)NC[C@H]2COc3ccccc3O2)nc2ccccc2c1=O,C13234276_decoy,PA2GA,Decoy,0,-9.61531,-7.09,-3.76,-7.913893458378427
C=CCn1c(S[C@H](C(=O)Nc2cc(C)on2)c2ccccc2)nc2cc(C(=O)[O-])ccc2c1=O,C13244449_decoy,PA2GA,Decoy,0,-12.6711,-8.06,-2.57,-10.342267055073211
CC(C)(C)c1ccc(/C=C2\SC(=O)N(CCNS(=O)(=O)c3cccc(C(=O)[O-])c3)C2=O)cc1,C13247206_decoy,PA2GA,Decoy,0,-10.5306,-8.77,-1.78,-8.03248792306842
CC(C)N(CC(=O)Nc1ccccc1C(F)(F)F)S(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1,C13250713_decoy,PA2GA,Decoy,0,-10.8392,-7.31,-2.67,-8.79355338513674
COc1ccc([C@H](CC(=O)[O-])NC(=O)c2ccc3c(c2)C[C@@H](c2ccccc2)OC3=O)cc1OC,C13257125_decoy,PA2GA,Decoy,0,-10.1636,-9.28,-3.82,-8.995488599106258
CCc1c(C)sc2nc(SCC(=O)Nc3ccc(C(=O)[O-])cc3)n(C[C@H]3CCCO3)c(=O)c12,C13364596_decoy,PA2GA,Decoy,0,-11.3623,-6.87,-2.04,-8.473813981292814
O=C([O-])CNS(=O)(=O)c1ccc(C(=O)/C=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)cc1,C13366164_decoy,PA2GA,Decoy,0,-13.0797,-6.72,,99.0
O=C([O-])CNS(=O)(=O)c1cccc(C(=O)/C=C/c2ccc(-c3ccc(Br)cc3)o2)c1,C13366679_decoy,PA2GA,Decoy,0,-10.8379,-9.2,-2.47,-9.925841733747738
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)Nc1nc(-c2ccco2)c(-c2ccco2)s1,C13367838_decoy,PA2GA,Decoy,0,-9.94449,-7.6,-3.85,-8.366276010310886
COCCOc1ccc(C(F)(F)F)cc1NS(=O)(=O)c1cc(/C=C/C(=O)[O-])ccc1OC,C13367870_decoy,PA2GA,Decoy,0,-10.5953,-7.48,-3.75,-9.889750203648472
C=CCN(c1ccccc1)S(=O)(=O)c1cccc(C(=O)Nc2cc3c(cc2C(=O)[O-])OCCO3)c1,C13431117_decoy,PA2GA,Decoy,0,-11.3874,-8.34,-4.03,-9.37967527420162
COCCOC(=O)C1=C(C)N(c2ccc3c(c2)OCCO3)C(=S)N[C@H]1c1ccc(C(=O)[O-])cc1,C13460264_decoy,PA2GA,Decoy,0,-9.40185,-6.52,-2.76,-7.089105797532795
CO/N=C(\C(=O)[O-])c1csc(NC2=NN(C(C)=O)[C@H](c3cccc(Oc4ccccc4)c3)C2)c1,C15222982_decoy,PA2GA,Decoy,0,-10.7139,-9.73,-1.46,-11.080728700160382
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(C)c(S(=O)(=O)Nc3ccccc3F)c2)c1,C24259428_decoy,PA2GA,Decoy,0,-9.205,-8.42,-2.9,-7.401191210041853
O=C(NC[C@H]1CN(Cc2ccccc2)CCO1)c1ccc([N-]S(=O)(=O)c2cccs2)cc1,C24715081_decoy,PA2GA,Decoy,0,-10.7793,-8.6,-1.24,-8.811606245362906
Cc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)NCC(=O)[O-])S3)[C@@H](c3ccc(C(C)C)cc3)C2)cc1,C28156268_decoy,PA2GA,Decoy,0,-11.6285,-7.27,-1.68,-7.366948644045528
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)/C=C/c3ccccc3)[C@H]2c2ccc(O)cc2)nc1C,C35420604_decoy,PA2GA,Decoy,0,-10.9421,-5.41,-1.68,-7.197567747139853
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCCN3CCOCC3)N2[C@@H]1c1ccccc1,C35692723_decoy,PA2GA,Decoy,0,-14.8891,-8.17,-2.51,-11.468485389096667
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccco3)N2[C@@H]1c1cccs1,C35695845_decoy,PA2GA,Decoy,0,-12.0552,-6.38,-2.21,-8.332664912145997
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@@H]3CCCO3)N2[C@@H]1c1ccccc1F,C35696409_decoy,PA2GA,Decoy,0,-12.5855,-7.69,-4.31,-10.145249888263232
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCCN3CCOCC3)N2[C@@H]1c1cccs1,C36050235_decoy,PA2GA,Decoy,0,-13.484,-7.19,-2.27,-10.272587288318196
Cc1cc(C(F)(F)F)nn1C[C@@H](C)CNS(=O)(=O)c1cc(C(=O)[O-])c(Cl)cc1Cl,C36614956_decoy,PA2GA,Decoy,0,-11.5755,-7.15,-2.82,-12.721704705665944
CCOS(=O)(=O)[N-]c1ccc(S(=O)(=O)Oc2ccccc2)cc1N1CCN[C@H](Cl)C1,C39482800_decoy,PA2GA,Decoy,0,-10.9517,-8.93,-1.69,-10.923168712648543
CC(C)[C@@H](C(=O)[O-])n1c(SCC(=O)N[C@@H](C)c2ccc3c(c2)OCO3)nc2ccccc2c1=O,C13025565_decoy,PA2GA,Decoy,0,-9.95115,-6.61,-1.99,-8.207515026631016
CC(C)[C@H](C(=O)[O-])n1c(SCC(=O)N[C@H](C)c2ccc(Cl)cc2)nc2ccccc2c1=O,C13025606_decoy,PA2GA,Decoy,0,-10.2428,-6.27,-1.65,-9.38632641057265
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C([O-])C(=O)N2CCO)cc1OC,C40084484_decoy,PA2GA,Decoy,0,-10.879,-8.2,,99.0
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C([O-])C(=O)N2CCO)cc1OC,C40084790_decoy,PA2GA,Decoy,0,-11.6192,-7.7,-3.61,-8.972387551890455
CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2CCOCCO)cc1,C40095179_decoy,PA2GA,Decoy,0,-10.5069,-8.2,-1.87,-10.122018224438
CCN(CC)c1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2CCOCCO)cc1,C40095181_decoy,PA2GA,Decoy,0,-10.2013,-5.89,-3.53,-6.883621304968211
COc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2CCO)ccc1OCC(C)C,C40095755_decoy,PA2GA,Decoy,0,-10.7336,-8.17,-4.11,-9.944428849040818
O=C(C1=C([O-])C(=O)N(CCOCCO)[C@@H]1c1ccc(Cl)cc1Cl)c1ccc2c(c1)OCCO2,C40096413_decoy,PA2GA,Decoy,0,-10.9879,-7.54,-2.37,-9.609208105121462
O=C(C1=C([O-])C(=O)N(CCOCCO)[C@H]1c1cccc2ccccc12)c1ccc2c(c1)OCCO2,C40096429_decoy,PA2GA,Decoy,0,-10.9578,-7.6,-3.52,-8.134885631439074
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(CCOCCO)[C@H]3c3c(F)cccc3Cl)oc12,C40097919_decoy,PA2GA,Decoy,0,-10.7575,-7.78,-2.51,-7.587191220626141
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(CCOCCO)[C@@H]3c3ccc(SC)cc3)oc12,C40097936_decoy,PA2GA,Decoy,0,-10.3482,-6.74,-1.44,-8.232939110208791
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2ccc(Br)cc2)c1,C40102059_decoy,PA2GA,Decoy,0,-10.8857,-7.29,-3.69,-10.294482062549454
O=C(C1=C([O-])C(=O)N(CCO)[C@H]1/C=C/c1ccccc1)c1ccc(S(=O)(=O)N2CCCC2)cc1,C40111868_decoy,PA2GA,Decoy,0,-11.4919,-8.33,-2.08,-9.646981733207609
C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCOC)cc1OC,C39898213_decoy,PA2GA,Decoy,0,-10.2954,-7.35,-2.41,-10.055636591778054
Cc1nsnc1COc1cccc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c1,C40794967_decoy,PA2GA,Decoy,0,-13.4154,-7.84,-2.56,-7.75222890968911
C=CCOc1ccc([C@@H]2C(C(=O)c3c(C)[nH]c(C)c3C)=C([O-])C(=O)N2CCN2CCOCC2)cc1,C41534920_decoy,PA2GA,Decoy,0,-9.11206,-7.49,-1.88,-6.723838420212433
COCCCn1c([S-])nc2cc(C(=O)N[C@@H](CN3CCOCC3)c3ccc(C)cc3)ccc2c1=O,C45899452_decoy,PA2GA,Decoy,0,-11.6933,-7.33,-1.85,-7.90954415700821
CC(C)[C@H](C(=O)[O-])n1c(SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)nc2ccccc2c1=O,C13238245_decoy,PA2GA,Decoy,0,-10.0265,-7.05,-1.83,-7.980879267459317
CC[C@@]1(c2ccccc2)NC(=O)N(C/C([O-])=N/c2nnc(SCc3cccs3)s2)C1=O,C49597269_decoy,PA2GA,Decoy,0,-13.4251,-9.05,-2.02,-9.461973646021267
COc1cc([N+](=O)[O-])cc(/C=N/NC(=S)Nc2ccccc2)c1[O-],C05329661_decoy,PA2GA,Decoy,0,-10.1559,-7.67,-1.76,-13.495107031971465
O=C(/C=C/c1ccco1)NC(=S)Nc1ccc(C(=O)[O-])c(Cl)c1,C06926618_decoy,PA2GA,Decoy,0,-9.86217,-6.7,-1.63,-8.43213530433369
Cc1ccc(S(=O)(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c(C)c1,C08189290_decoy,PA2GA,Decoy,0,-9.83298,-7.77,-2.0,-9.119593437454697
CC[C@H](C)[C@@H](NC(=O)Cc1c(C)c2ccc(O)c(C)c2oc1=O)C(=O)[O-],C11865452_decoy,PA2GA,Decoy,0,-11.0718,-8.1,-1.12,-13.333507429329918
C[C@@H]1[C@H](C)CCC[C@@H]1Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-],C13211176_decoy,PA2GA,Decoy,0,-8.98435,-8.86,-2.95,-12.225545465038293
C[C@H]1[C@@H](Nc2ccc(C(=O)NCC(=O)[O-])cc2[N+](=O)[O-])CCC[C@@H]1C,C13211177_decoy,PA2GA,Decoy,0,-8.87909,-7.69,-1.61,-7.565744040292264
CC(C)Cc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCC(=O)[O-])cc2)cc1,C13394180_decoy,PA2GA,Decoy,0,-11.9101,-7.58,-3.48,-9.959073340640762
CC[C@@H](C)N1C(=O)/C(=C\c2[nH]c3ccccc3c2CCNC(C)=O)C([O-])=NC1=S,C20437735_decoy,PA2GA,Decoy,0,-8.56046,-6.27,-2.04,-5.957606716454335
O=C(CC1(C(=O)[O-])CCCCC1)Nc1cccc(NC(=O)c2ccco2)c1,C23625615_decoy,PA2GA,Decoy,0,-10.1795,-7.43,-1.27,-9.31323315750148
CCNC(=O)[C@@H](C)NC(=O)CCn1c([S-])nnc1-c1cccs1,C26011752_decoy,PA2GA,Decoy,0,-10.4819,-6.64,-1.62,-9.219072626908115
C[C@@H](NC(=O)/C(=C\c1ccco1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-],C27551405_decoy,PA2GA,Decoy,0,-10.9437,-8.41,-1.55,-9.37053282465804
O=C(NCC(F)(F)F)c1cccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)c1,C32771969_decoy,PA2GA,Decoy,0,-11.3562,-9.16,-1.26,-9.966409842709348
CCCc1c(C)nc(N/C([O-])=N/S(=O)(=O)c2cccs2)[nH]c1=O,C13407811_decoy,PA2GA,Decoy,0,-9.40551,-6.33,-1.54,-6.9980387621335085
CCc1ccc(OC[C@@H](O)Cn2c3c([O-])[nH]c(=O)n(C)c-3nc2=S)cc1,C13739388_decoy,PA2GA,Decoy,0,-10.8567,-8.23,-2.42,-10.52106421103655
CCCc1nnc(NC(=O)[C@@H](CC)Sc2nc([O-])cc(=O)[nH]2)s1,C09667803_decoy,PA2GA,Decoy,0,-11.0891,-6.35,-1.68,-7.398830471674504
O=C(CNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1)NC1CC1,C35140677_decoy,PA2GA,Decoy,0,-9.69059,-6.9,-1.6,-9.23970348056076
CC[C@@H](CO)NS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1,C35600542_decoy,PA2GA,Decoy,0,-10.5487,-6.55,-0.98,-8.428668084155465
Cc1ccc(C)c(S(=O)(=O)N[C@H](Cc2c[nH]c3ccccc23)C(=O)[O-])c1,C00811628_decoy,PA2GA,Decoy,0,-9.88632,-7.39,-1.53,-9.99043061060874
CCOC(=O)[C@H](C)NC(=O)Nc1cc(Br)ccc1C(=O)[O-],C49376229_decoy,PA2GA,Decoy,0,-8.84145,-7.84,-1.12,-7.84082560420152
O=C(Cc1ccc(NC(=O)c2ccc([O-])nn2)cc1)NCC(F)(F)F,C49523926_decoy,PA2GA,Decoy,0,-8.7661,-7.64,-3.44,-6.187379882455062
CCOC(=O)[C@H](C)NC(=O)Nc1ccc(Br)cc1C(=O)[O-],C50208933_decoy,PA2GA,Decoy,0,-8.56542,-7.29,-1.64,-11.091912677096298
Cc1cc(C(=O)NCC(C)C)ccc1NC(=O)[C@H]1CC=CC[C@H]1C(=O)[O-],C51186002_decoy,PA2GA,Decoy,0,-10.5219,-7.43,-2.87,-8.100973424071201
COc1ccc(CCNC(=O)/C(C#N)=C(\[O-])[C@@H](C)NC(=O)c2cccs2)cc1,C51594957_decoy,PA2GA,Decoy,0,-10.9073,-8.91,-2.69,-12.572207587049174
C/N=C(/[S-])[C@@]1(c2cccnc2)CCCC/C1=C\C=N\OC[C@H](O)CO,C13589998_decoy,PA2GA,Decoy,0,-10.3411,-5.31,-2.38,-5.849242095959077
C/N=C(/[S-])[C@@]1(c2cccnc2)CCCC/C1=C\C=N\OC[C@@H](O)CO,C13589996_decoy,PA2GA,Decoy,0,-10.9533,-4.84,-2.03,-5.779789940683657
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=S)Nc3ccccc3)cc2)c1C,C06706962_decoy,PA2GA,Decoy,0,-10.3586,-7.76,-0.87,-9.131185135726689
O=C(NCCO)c1ccc([N-]S(=O)(=O)c2cc(F)cc(F)c2)cc1,C55622036_decoy,PA2GA,Decoy,0,-9.90981,-7.93,-2.73,-8.269492688687047
C=CCn1c([S-])nc2cc(C(=O)N[C@H](C)C(=O)NCC)ccc2c1=O,C10433164_decoy,PA2GA,Decoy,0,-10.7243,-7.71,-1.76,-8.739030848473277
CCNC(=O)c1cccc(NC(=O)c2cccc([N-]S(C)(=O)=O)c2)c1,C57993482_decoy,PA2GA,Decoy,0,-10.4764,-7.68,-1.27,-8.3349007090373
CC(=O)NNC(=O)c1ccc([N-]S(=O)(=O)/C=C/c2ccccc2)cc1,C36748007_decoy,PA2GA,Decoy,0,-9.05297,-8.01,-1.99,-12.60430057445318
CCOC(=O)NNC(=O)Cn1c([S-])nnc1-c1ccc(Cl)cc1,C58436718_decoy,PA2GA,Decoy,0,-10.5813,-6.97,-2.03,-10.364649283421134
CC1CCC(NC(=O)[C@H](C)Nc2ccc([N-]S(C)(=O)=O)cc2)CC1,C46815128_decoy,PA2GA,Decoy,0,-7.72116,-7.37,-1.04,-5.795566905552688
COC(=O)c1cc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)ccc1O,C47521548_decoy,PA2GA,Decoy,0,-10.2972,-7.34,-2.03,-8.59378819057103
NC(=O)c1cccc(Oc2ccc([N-]S(=O)(=O)c3cccs3)cn2)c1,C60341763_decoy,PA2GA,Decoy,0,-11.0234,-7.66,-2.65,-8.356014377872656
O=C(NCCO)c1ccc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)cc1,C60443337_decoy,PA2GA,Decoy,0,-9.29534,-7.14,-1.18,-6.93075056654021
CC(=O)Nc1cccc([N-]S(=O)(=O)CCNC(=O)c2ccccc2F)c1,C62066347_decoy,PA2GA,Decoy,0,-9.60906,-7.44,-2.92,-9.680401471013262
CSc1nc([O-])c(C(=O)NCCNC(=O)OC(C)(C)C)cc1C#N,C63701620_decoy,PA2GA,Decoy,0,-9.83043,-6.98,-2.71,-8.043145825902299
CC[C@@H](C)NC(=O)[C@H](C)NC(=O)c1cc(Cl)ccc1[N-]S(C)(=O)=O,C64497563_decoy,PA2GA,Decoy,0,-9.28737,-7.44,-1.95,-8.932808338117088
O=C(C[C@@]1(C(=O)[O-])CCSC1)Nc1ccc(NC(=O)c2ccco2)cc1,C64610695_decoy,PA2GA,Decoy,0,-10.2646,-5.52,-2.15,-6.93635961697089
CC1=C[C@H](C(=O)NCCCc2nnn[n-]2)[C@@H](NC(=O)C(C)(C)C)S1,C65429891_decoy,PA2GA,Decoy,0,-10.8804,-7.61,-0.84,-11.628870434596408
CC1=C[C@@H](C(=O)NCCCc2nnn[n-]2)[C@@H](NC(=O)C(C)(C)C)S1,C65429897_decoy,PA2GA,Decoy,0,-9.6004,-7.44,-2.37,-9.303832206476086
CCS(=O)(=O)[N-]c1ccccc1C(=O)Nc1ccc(NC(C)=O)cc1,C65834060_decoy,PA2GA,Decoy,0,-8.2352,-6.83,-2.6,-6.7315753847259066
CCS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(C(=O)NC)cc1,C65843127_decoy,PA2GA,Decoy,0,-7.69225,-5.74,-2.3,-6.343964077130118
CCS(=O)(=O)[N-]c1ccccc1C(=O)NCCC(=O)NC1CCCC1,C65882088_decoy,PA2GA,Decoy,0,-10.2205,-7.91,-1.82,-9.6381442594264
CS(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(C(=O)NC2CC2)cc1,C57436167_decoy,PA2GA,Decoy,0,-9.86031,-6.23,-1.2,-6.658774143576905
CC(C)(C)c1ccc([C@H](C#N)NC(=O)CCc2nnc([O-])[nH]c2=O)cc1,C66396685_decoy,PA2GA,Decoy,0,-8.48667,-9.19,-1.69,-9.719924340870003
CC(=O)Nc1cc(NC(=O)CC2(CC(=O)[O-])CCCC2)c(F)cc1F,C66873851_decoy,PA2GA,Decoy,0,-9.90095,-7.69,-2.6,-8.874759900828993
CC(=O)Nc1ccc([N-]S(C)(=O)=O)c(C(=O)NC[C@H]2C[C@H]3CC[C@@H]2C3)c1,C67045706_decoy,PA2GA,Decoy,0,-9.45771,-8.46,-2.3,-9.143832311279128
Cc1cc(CNC(=O)N[C@@H](C)c2cccc([N-]S(C)(=O)=O)c2)no1,C67610057_decoy,PA2GA,Decoy,0,-8.84344,-7.14,-1.47,-7.576002937781912
Cc1cc(CNC(=O)N[C@H](C)c2cccc([N-]S(C)(=O)=O)c2)no1,C67610058_decoy,PA2GA,Decoy,0,-8.53182,-7.81,-1.67,-8.054208371858286
CC(C)C[C@@H](NC(=O)/C(=C/c1ccccc1F)NC(=O)c1ccccc1)C(=O)[O-],C02300677_decoy,PA2GA,Decoy,0,-10.2984,-6.44,-1.4,-6.912434569109555
CCn1cc(NC(=O)[C@@H]2CC(C)=C(C)C[C@H]2C(=O)[O-])c(C(=O)NCC(C)C)n1,C05962259_decoy,PA2GA,Decoy,0,-9.54541,-7.49,-2.6,-8.724256932316065
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])OCC1=Cc2ccccc2S1(=O)=O,C05240331_decoy,PA2GA,Decoy,0,-10.2292,-6.25,-4.1,-6.9795133915825245
CC(C)[C@H](NC(=O)/C(=C\c1ccc(Br)cc1)NC(=O)c1ccccc1)C(=O)[O-],C06190674_decoy,PA2GA,Decoy,0,-9.66568,-6.14,-2.37,-7.493312084691881
O=C([O-])[C@@H]1[C@@H](C(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)[C@H]2C=C[C@@H]1O2,C04001770_decoy,PA2GA,Decoy,0,-10.8065,-6.24,-1.65,-7.086175632065402
CN(C)c1cccc2c(S(=O)(=O)N[C@@H](Cc3c[nH]c4ccccc34)C(=O)[O-])cccc12,C04517301_decoy,PA2GA,Decoy,0,-9.3261,-5.72,-3.65,-6.010210356222693
C[C@@H](NC(=O)/C(=C\C=C\c1ccccc1)NC(=O)c1cccc(Br)c1)C(=O)[O-],C08721004_decoy,PA2GA,Decoy,0,-10.0571,-7.54,-1.52,-7.773770992922082
C[C@H](O)Cn1c(SCC(=O)NC2CCCC2)nc2cc(C(=O)[O-])ccc2c1=O,C13051267_decoy,PA2GA,Decoy,0,-10.7347,-7.67,-2.1,-8.102650958736335
Cc1cc(Br)ccc1NC(=O)CNS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1,C13072245_decoy,PA2GA,Decoy,0,-10.2035,-8.53,-1.75,-11.666619132377674
O=C(Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1)[C@@H]1[C@H](C(=O)[O-])[C@H]2C=C[C@@H]1O2,C13152980_decoy,PA2GA,Decoy,0,-9.61928,-5.54,-3.1,-5.342107836986311
CCC(=O)Nc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)n2)cc1,C13195378_decoy,PA2GA,Decoy,0,-11.1496,-8.79,-3.05,-11.92219047505316
O=C(NCc1csc(-c2ccc(Cl)cc2)n1)N[C@@H](CC(=O)N1CCCC1)C(=O)[O-],C13244551_decoy,PA2GA,Decoy,0,-10.8306,-7.95,-1.87,-10.40657320529946
CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)N[C@H](CC(=O)[O-])c2ccc(C)cc2)cc1,C13258357_decoy,PA2GA,Decoy,0,-9.06629,-6.23,-2.27,-6.950763035999492
CCN(CC)c1ccc(C(=O)NNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1,C13265014_decoy,PA2GA,Decoy,0,-8.9768,-7.64,-5.19,-7.146220195842529
CC(C)Oc1ccc(C(=O)NNS(=O)(=O)c2cc(C(=O)[O-])cs2)cc1,C13300429_decoy,PA2GA,Decoy,0,-10.4998,-9.14,-1.4,-12.999702287769052
COc1ccc(/C=C/C(=O)[O-])cc1S(=O)(=O)NNC(=O)c1ccc(F)cc1,C13367016_decoy,PA2GA,Decoy,0,-10.1053,-7.62,-2.05,-8.83553730245456
O=C(NC1CC1)c1ccc(NS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1,C13460394_decoy,PA2GA,Decoy,0,-10.9861,-7.1,-2.72,-8.285153060184424
O=C(CCCN1C(=O)/C(=C/c2ccco2)SC1=S)Nc1ccc(O)c(C(=O)[O-])c1,C13576271_decoy,PA2GA,Decoy,0,-11.9236,-8.17,-1.72,-12.214518855504169
COc1cccc(/C=N/NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1O,C20930697_decoy,PA2GA,Decoy,0,-10.6895,-7.01,-2.76,-9.417674466379776
O=C([O-])[C@@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1,C02646183_decoy,PA2GA,Decoy,0,-10.7426,-5.58,-1.43,-7.120375054597966
C=CCn1c(CC2=CS[C@H](NC(=O)[C@H]3[C@H](C=C(C)C)C3(C)C)[N-]2)n[nH]c1=S,C38798866_decoy,PA2GA,Decoy,0,-12.8149,-8.22,-1.93,-16.49442933687238
NC(=O)C[C@@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccccc3Cl)o2)SC1=S,C39861955_decoy,PA2GA,Decoy,0,-10.6877,-7.67,-1.5,-8.64375514236574
CC1=C([C@@H](c2ccc(OC(C)C)cc2OC(C)C)c2c(C)n[nH]c2[O-])[C@@H](O)N=N1,C39960979_decoy,PA2GA,Decoy,0,-9.28725,-7.53,-1.79,-9.368760983424862
CCOC(=O)NNC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)c(C)c1,C44009358_decoy,PA2GA,Decoy,0,-10.48,-9.01,-3.34,-10.39353167307469
CC(=O)Nc1cc(NC(=O)c2cccc(S(=O)(=O)[N-]c3ccccc3F)c2)ccc1F,C45520508_decoy,PA2GA,Decoy,0,-10.8889,-8.07,-1.6,-7.396615744176495
CNS(=O)(=O)c1ccc(-c2ccc(/C=C/C(=O)c3c(C)[nH]c(C(=O)[O-])c3C)o2)cc1,C13458135_decoy,PA2GA,Decoy,0,-10.3307,-8.14,-2.89,-7.185778729487224
COc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)ccc1O,C15036041_decoy,PA2GA,Decoy,0,-11.6788,-9.47,-1.34,-15.8738254959549
C/C(=C\c1ccccc1)[C@H](O)/C(=N\NC(=O)CC#N)c1nc2ccc(Cl)cc2nc1[O-],C48553280_decoy,PA2GA,Decoy,0,-11.1479,-7.99,-3.28,-8.872061514480372
C/C(=C\c1ccccc1)[C@@H](O)/C(=N\NC(=O)CC#N)c1nc2ccc(Cl)cc2nc1[O-],C48553286_decoy,PA2GA,Decoy,0,-11.9476,-7.15,-2.06,-9.26439748714082
C=CCN/C([O-])=C(\C#N)C(=O)Cc1cs/c(=N\C(=O)Cc2cccs2)[nH]1,C50856169_decoy,PA2GA,Decoy,0,-11.7348,-7.84,-1.97,-11.130920785344252
CSCC[C@H](NC(=O)Cn1nc([O-])c2ccccc2c1=O)c1nc2ccccc2[nH]1,C09661943_decoy,PA2GA,Decoy,0,-11.2115,-8.19,-0.91,-9.289232186384467
CNS(=O)(=O)c1ccc([C@H](C)NC(=O)Cc2sc([S-])nc2C)cc1,C54142269_decoy,PA2GA,Decoy,0,-11.1172,-6.04,-1.93,-8.041345671628722
O=C(NNC(=O)c1cccnc1)c1ccc(S(=O)(=O)[N-]c2ccccc2Cl)cc1,C27765119_decoy,PA2GA,Decoy,0,-9.60026,-6.16,-1.26,-6.186915431641971
CCOC(=O)c1sccc1NC(=O)CSc1nc([O-])c2[nH]c(C)cc2n1,C57522195_decoy,PA2GA,Decoy,0,-10.5313,-6.17,-0.62,-8.603576183417312
Cc1ccc(NC(=O)c2ccccc2)cc1NC(=O)c1ccc([N-]S(C)(=O)=O)cc1,C58328940_decoy,PA2GA,Decoy,0,-10.7057,-5.41,-3.61,-5.9031548207837785
O=C(CC[C@@H](O)c1ccccc1)N/N=C/c1cc(Br)c([O-])c([N+](=O)[O-])c1,C58887777_decoy,PA2GA,Decoy,0,-11.2659,-8.01,-1.41,-9.936171752709656
O=C(C[C@H]1S/C(=N\c2ccccc2)N(CCO)C1=O)Nc1ccc(C(=O)[O-])cc1,C17085163_decoy,PA2GA,Decoy,0,-10.7351,-6.46,-2.19,-8.802420403889903
N#Cc1ccc(C(=O)NNC(=O)CCn2c([S-])nnc2-c2cccs2)cc1,C61633216_decoy,PA2GA,Decoy,0,-10.7232,-7.14,-2.61,-7.861771894531404
O=C(CCN1C(=O)/C(=C\c2ccccc2F)SC1=S)Nc1ccc(O)cc1C(=O)[O-],C33585424_decoy,PA2GA,Decoy,0,-14.8229,-8.08,-2.0,-13.5691473705652
NC(=O)C1=C(SCC(=O)c2ccc(-c3ccccc3)cc2)S[C@H]2C([O-])=CC(=O)N=C12,C44920443_decoy,PA2GA,Decoy,0,-11.2317,-9.65,-1.04,-10.418396654272623
COC(=O)c1c(C)cccc1S(=O)(=O)[N-]c1cccc(S(N)(=O)=O)c1C,C64476617_decoy,PA2GA,Decoy,0,-9.77125,-8.54,-2.23,-9.74930313927714
CCc1ccc(-c2ccc(=O)[nH]n2)cc1S(=O)(=O)Nc1ccc(C(=O)[O-])cc1,C35378119_decoy,PA2GA,Decoy,0,-10.2435,-8.14,-4.02,-8.785156232829213
CCOc1ccccc1[N-]S(=O)(=O)C1=CN=C([C@H]2NN[C@@H](c3ccccc3)O2)C1,C64612849_decoy,PA2GA,Decoy,0,-11.8776,-5.47,-1.3,-7.044589590373787
CCCSc1nnc(NC(=O)CSc2sc3c([O-])cc(=O)[nH]c3c2C#N)s1,C13990397_decoy,PA2GA,Decoy,0,-13.9565,-6.96,-0.91,-9.745803630831851
CC(=O)Nc1ccccc1-c1nnc(S[C@@H](C)C(=O)Nc2ccc(Cl)cc2)nc1[O-],C64774696_decoy,PA2GA,Decoy,0,-10.9256,-8.8,-1.01,-10.64464175348708
CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2c(F)cccc2F)nc1[O-],C64774840_decoy,PA2GA,Decoy,0,-11.9333,-9.64,-1.76,-10.248278611371603
CCCS(=O)(=O)[N-]c1cccc(NC(=O)c2cc3ccccc3c(=O)[nH]2)c1C,C64901255_decoy,PA2GA,Decoy,0,-9.55716,-8.37,-3.51,-7.771527844929642
CCOc1cc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2F)ccc1C,C66588147_decoy,PA2GA,Decoy,0,-11.1799,-7.62,-2.34,-8.352941680148989
CCNC(=O)Nc1cccc([N-]S(=O)(=O)c2ccsc2C(=O)OC)c1,C67124439_decoy,PA2GA,Decoy,0,-9.15083,-7.25,-1.78,-8.54555179087188
CS(=O)(=O)[N-]c1ccc(O)c(C(=O)Nc2cccc(SC(F)F)c2)c1,C67181156_decoy,PA2GA,Decoy,0,-11.2792,-8.83,-4.92,-12.523665634980638
O=C([O-])CCNC(=O)/C(=C/c1ccc(Br)cc1)NC(=O)c1ccco1,C04891601_decoy,PA2GA,Decoy,0,-9.47776,-7.86,-1.76,-11.657194203729953
O=C([O-])C[C@H]1S/C(=N\N=C/c2ccccc2O)N(c2ccc(O)cc2)C1=O,C05023200_decoy,PA2GA,Decoy,0,-13.4987,-7.09,-3.27,-9.894949315456486
C[C@H](Nc1ccc(C(=O)NCC(=O)[O-])cc1[N+](=O)[O-])c1ccc(F)c(F)c1,C13211878_decoy,PA2GA,Decoy,0,-9.62494,-5.65,-2.53,-6.3319851446915125
O=C(CC1(C(=O)[O-])CCCCCC1)NNC(=O)c1ccc2c(c1)OCO2,C13250907_decoy,PA2GA,Decoy,0,-11.5026,-9.05,-0.6,-15.021972166337996
CC(C)NS(=O)(=O)c1ccc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])cc1,C13253859_decoy,PA2GA,Decoy,0,-11.2573,-7.18,-1.51,-7.635475440719328
Cc1ccc(C)n1-c1ccc(C(=O)NNC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@@H]3C=C[C@H]2C3)cc1,C13466369_decoy,PA2GA,Decoy,0,-10.7417,-8.73,-2.17,-10.27607701910556
Cc1ccc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(O)cc3C(=O)[O-])C2=O)cc1,C16921750_decoy,PA2GA,Decoy,0,-9.31521,-8.6,-2.56,-9.323096623553262
O=C(C[C@@H]1SC(=O)N(c2ccc(O)cc2)C1=O)Nc1ccc(C(=O)[O-])cc1,C16926078_decoy,PA2GA,Decoy,0,-10.2037,-7.58,-2.3,-7.205872977738467
COC(=O)c1cccc([N-]S(=O)(=O)c2cccc(S(N)(=O)=O)c2)c1,C22410397_decoy,PA2GA,Decoy,0,-10.2197,-7.98,-1.65,-8.8239534194957
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(S(N)(=O)=O)cc2)c1,C24256013_decoy,PA2GA,Decoy,0,-8.89067,-8.01,-1.97,-7.754182378188442
O=C(Cc1ccc(NS(=O)(=O)c2cccs2)cc1)Nc1ncn[n-]1,C23140625_decoy,PA2GA,Decoy,0,-10.8548,-6.48,-2.13,-8.003032085430801
CCN(CC)c1ccc(/N=N\c2cc(S(=O)(=O)[O-])ccc2O)c(O)c1,C17378758_decoy,PA2GA,Decoy,0,-11.1236,-6.05,-1.96,-6.845744362362512
Cc1ccc(S(=O)(=O)[N-]c2n[nH]nc2C(=O)NC2CCCCC2)cc1,C06173449_decoy,PA2GA,Decoy,0,-10.9701,-8.05,-1.11,-10.417628454763053
C[C@](O)(CNS(=O)(=O)c1ccc2nc([O-])oc2c1)c1ccc(F)cc1,C36125892_decoy,PA2GA,Decoy,0,-9.81227,-8.85,-1.86,-8.830876136528671
N#CC(C(=O)CSc1nc(-c2cccs2)n[n-]1)=C1Nc2ccccc2N1,C02656709_decoy,PA2GA,Decoy,0,-12.1758,-8.8,-0.15,-9.37019376437103
Cc1ccc(-c2nc3scc(C(=O)[O-])c3c(=O)n2C[C@@H](O)CO)cc1,C40694962_decoy,PA2GA,Decoy,0,-9.16329,-7.81,-0.51,-10.779412433424248
O=C1N[C@@H]2[C@H](CCCC/C([O-])=N/S(=O)(=O)c3cccs3)SC[C@H]2N1,C42243470_decoy,PA2GA,Decoy,0,-11.3043,-7.65,-1.36,-10.08323172982184
CC(=O)Nc1cc(NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)ccc1C,C42796478_decoy,PA2GA,Decoy,0,-8.69914,-8.18,-1.02,-8.729864581654956
CCC[C@H]1OC(=O)[C@@H](OC(=O)/C=C/C=C/C(=O)[O-])CC/C=C\[C@@H](O)[C@H]1O,C43509982_decoy,PA2GA,Decoy,0,-10.1258,-7.52,-2.91,-8.246084076927389
O=C(Nc1n[n-]c(C(F)(F)F)n1)c1ccc(NC(=O)c2ccco2)cc1,C29389123_decoy,PA2GA,Decoy,0,-8.93303,-8.16,-3.41,-5.911678151714181
COc1cc(NC(=O)[C@@H]2CC=CC[C@H]2C(=O)[O-])ccc1NS(C)(=O)=O,C46834782_decoy,PA2GA,Decoy,0,-9.3326,-7.12,,99.0
CC(C)C(=O)NNS(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1,C47215115_decoy,PA2GA,Decoy,0,-8.69592,-7.4,-1.51,-7.568351390365366
CCS(=O)(=O)Nc1ccc(NC(=O)[C@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)cc1,C48382536_decoy,PA2GA,Decoy,0,-9.27461,-6.52,-1.36,-6.614333606081504
CCC1CCC2(CC1)NC(=O)N(C/C([O-])=C(/C#N)C(=O)NC(C)C)C2=O,C50985669_decoy,PA2GA,Decoy,0,-9.41965,-7.79,-3.76,-9.187670168623228
C[C@H]1C[C@@H]1C(=O)Nc1ccc(/C([O-])=N/c2nc(-c3ccccn3)n[nH]2)cc1,C53527171_decoy,PA2GA,Decoy,0,-9.85239,-8.16,-0.75,-6.221772047660599
C[C@@H]1C[C@H]1C(=O)Nc1ccc(/C([O-])=N/c2nc(-c3ccccn3)n[nH]2)cc1,C53527178_decoy,PA2GA,Decoy,0,-9.57916,-7.71,-4.44,-6.853702398221699
C[C@H]1C[C@H]1C(=O)Nc1cccc(/C([O-])=N/c2nc(-c3ccccn3)n[nH]2)c1,C53527232_decoy,PA2GA,Decoy,0,-10.37,-6.87,-1.33,-6.1824466019916935
C=CCNC(=O)/C(C#N)=C(\[O-])[C@@H]1CCCN(C(=O)Nc2cccc(C)c2)C1,C54453405_decoy,PA2GA,Decoy,0,-10.1007,-8.6,-1.57,-10.56888048201993
CCCNC(=O)CNS(=O)(=O)c1cc(C(=O)[O-])oc1Br,C55313556_decoy,PA2GA,Decoy,0,-10.1892,-6.79,-1.44,-9.209208813085423
C=CCOc1cccc([N-]S(=O)(=O)c2ccc(S(N)(=O)=O)cc2)c1,C57124130_decoy,PA2GA,Decoy,0,-10.5028,-7.41,-3.22,-8.526894749992596
CCS(=O)(=O)[N-]c1ccc(NC(=O)[C@H](NC(C)=O)C2CCCC2)cc1,C58532394_decoy,PA2GA,Decoy,0,-9.80126,-7.19,-2.64,-8.110840411633172
CCC(=O)Nc1ccc(C)c(NC(=O)c2cc(C#N)c(SC)nc2[O-])c1,C60690326_decoy,PA2GA,Decoy,0,-10.8813,-8.13,-4.06,-9.143851991040586
O=C(c1cc(S(=O)(=O)[N-]c2ccc(-c3ccn[nH]3)cc2)c[nH]1)N1CCCC1,C63182120_decoy,PA2GA,Decoy,0,-7.85192,-5.31,-1.3,-5.036930447832611
[O-]/C(CSC1=NN[C@H](c2ccccc2Br)O1)=N\c1ncn[nH]1,C63393594_decoy,PA2GA,Decoy,0,-10.9126,-10.46,-0.52,-11.2229046937967
[H]/N=C(\N=C(/[O-])CN1C(=O)[C@@H]2CCCC[C@H]2C1=O)Nc1nc2ccccc2s1,C18136703_decoy2,PA2GA,Decoy,0,-11.1426,-9.56,,-10.791045787859058
CC(C)CN1C(=O)c2sccc2N[C@@H]1SC/C([O-])=N/c1ncn[nH]1,C63763323_decoy,PA2GA,Decoy,0,-12.4045,-7.86,,99.0
NC(=O)c1ccc([N-]S(=O)(=O)c2ccc([N+](=O)[O-])s2)cc1Cl,C63911886_decoy,PA2GA,Decoy,0,-9.43875,-6.9,-1.79,-7.96952958794421
CC1=C(C/C([O-])=N/c2ncn[nH]2)[C@@H](C)N(c2ccc(C(F)(F)F)cn2)N1,C63952349_decoy,PA2GA,Decoy,0,-10.2684,-6.45,-0.81,-6.910226292009236
CC1=C(C/C([O-])=N/c2ncn[nH]2)[C@H](C)N(c2ccc(C(F)(F)F)cn2)N1,C63952350_decoy,PA2GA,Decoy,0,-11.1609,-6.76,-2.25,-5.954386129267
COc1ccccc1C1=C(/C([O-])=N/c2ncn[nH]2)CN(c2ccccc2)N1,C64050302_decoy,PA2GA,Decoy,0,-9.04504,-8.32,-2.41,-7.592242176637178
CC1=C(S(=O)(=O)[N-]c2ccccc2-c2nc(C3CC3)n[nH]2)[C@H](C)ON1,C64058159_decoy,PA2GA,Decoy,0,-8.97761,-7.83,-1.2,-8.437192281236376
CC1=C(C(=O)/C([O-])=N/c2ncn[nH]2)[C@H](C)N(c2cccc(C(F)(F)F)c2)N1,C64070049_decoy,PA2GA,Decoy,0,-11.1639,-9.61,-3.42,-15.526576586262784
CC(=O)Nc1ccc(NC(=O)/C(C#N)=C(/[O-])[C@@H](C)OC[C@@H]2CCCCO2)cc1,C64101621_decoy,PA2GA,Decoy,0,-10.0791,-8.54,-3.93,-8.225918474606932
COc1ccc(C#N)cc1[N-]S(=O)(=O)c1ccc(S(N)(=O)=O)cc1,C64479081_decoy,PA2GA,Decoy,0,-9.75245,-7.92,-2.67,-8.344204181048468
CS(=O)(=O)[N-]c1ccc(O)c(C(=O)NCc2cn3ccsc3n2)c1,C65633903_decoy,PA2GA,Decoy,0,-10.6822,-5.73,-2.9,-6.166221760818892
COc1ccc(NC(=O)/C(C#N)=C(/[O-])[C@H](C)NC(=O)C2CCC2)cc1OC,C66230816_decoy,PA2GA,Decoy,0,-9.23756,-6.4,-1.74,-7.772253707034674
CCOC(=O)c1csc([N-]S(=O)(=O)c2ccc(C)c(C(N)=O)c2)n1,C66247256_decoy,PA2GA,Decoy,0,-10.8519,-7.16,-2.21,-8.987043876567737
Cc1ccsc1C(=O)NNC(=O)c1ccc(F)c([N-]S(C)(=O)=O)c1,C66783196_decoy,PA2GA,Decoy,0,-10.1944,-7.9,-2.94,-9.293053128542825
O=C([O-])c1cc(Cl)c(Cl)c(S(=O)(=O)NNC(=O)c2ccoc2)c1,C66813837_decoy,PA2GA,Decoy,0,-9.11311,-7.27,-2.35,-7.660838456662257
CCc1ccc([N-]S(=O)(=O)c2cccc3nsnc23)cc1S(N)(=O)=O,C67124710_decoy,PA2GA,Decoy,0,-12.0276,-8.46,-1.66,-9.073912245261065
Cc1cc(C)cc(NC(=O)C(=O)NCCc2csc(-c3ccc(Cl)cc3)n2)c1,C04375444_decoy,PA2GA,Decoy,0,-10.1235,-7.81,-2.59,-8.266342427444021
C/C(=N\NC(=O)/C(=C\c1cccs1)NC(=O)c1ccccc1)c1ccc(C)cc1,C05003519_decoy,PA2GA,Decoy,0,-10.983,-8.16,-1.32,-9.075373983268795
CC[C@H](C)c1ccc(-n2c(S[C@@H](C)C(N)=O)nc3ccc(Cl)cc3c2=O)cc1,C05449930_decoy,PA2GA,Decoy,0,-12.0183,-8.92,,99.0
Cc1ccccc1NS(=O)(=O)c1cc(C(=O)N[C@@H](C)c2ccccc2)ccc1C,C01116452_decoy,PA2GA,Decoy,0,-10.1031,-9.42,-2.15,-8.477265173940056
CCc1ccc(NC(=O)c2ccc(F)c(S(=O)(=O)N[C@@H]3CCCC[C@@H]3C)c2)cc1,C03022256_decoy,PA2GA,Decoy,0,-9.46435,-9.28,-1.71,-8.844674994870227
CCc1cccc2c([C@@H](CC(=O)N[C@H](C)CC)c3ccc4c(c3)OCO4)c[nH]c12,C06740116_decoy,PA2GA,Decoy,0,-8.83881,-5.91,-1.57,-6.160651139427087
CCCCc1ccc(-c2csc3c2C(=O)N[C@H](c2cn(CC)nc2C)N3)cc1,C06890865_decoy,PA2GA,Decoy,0,-12.3762,-8.41,-0.99,-12.654367400777716
Cc1ccc(C)c(S(=O)(=O)Nc2cccc(C(=O)N[C@H](C)c3ccccc3)c2)c1,C07123381_decoy,PA2GA,Decoy,0,-10.0333,-8.55,-4.84,-8.092719969606692
C[C@H](Sc1nnc(Nc2ccccc2)s1)C(=O)N[C@H](C)c1ccc(F)cc1,C06560055_decoy,PA2GA,Decoy,0,-12.0543,-7.98,-3.24,-8.535278463608549
CC[C@H](C)Cc1c(C)sc2nc(S[C@@H](C)C(=O)NC3CCCC3)[nH]c(=O)c12,C05272413_decoy,PA2GA,Decoy,0,-10.5029,-7.68,-0.87,-9.429168685699109
S=C(N/N=C/c1cn(-c2ccccc2)nc1-c1ccccc1)Nc1ccccc1,C03188438_decoy,PA2GA,Decoy,0,-10.6326,-7.32,-1.89,-7.483122836509242
Cc1cc(C)c(NC(=O)c2csc(Nc3ccc(OC(F)(F)F)cc3)n2)c(C)c1,C09240092_decoy,PA2GA,Decoy,0,-11.5846,-7.63,-3.59,-8.01491679407449
O=C(Nc1cccc(/C=C/c2ccccn2)c1)c1ccc(NC(=O)c2cccs2)cc1,C09515313_decoy,PA2GA,Decoy,0,-10.2447,-8.96,-3.43,-7.115432025666739
Cc1ccc(OC[C@@H](O)CSc2nc3sc4c(c3c(=O)[nH]2)CC[C@H](C)C4)cc1,C09792869_decoy,PA2GA,Decoy,0,-10.8653,-7.77,-2.11,-8.812960316769692
CCCC1C/C(=C/c2ccc(C(=O)NC)cc2)C(=O)/C(=C/c2ccc(C(=O)NC)cc2)C1,C12911646_decoy,PA2GA,Decoy,0,-11.156,-9.68,-2.12,-14.514069188126248
Cc1cccc(N[C@H](C)C(=O)Nc2cc(C(F)(F)F)ccc2N2CCOCC2)c1,C13038665_decoy,PA2GA,Decoy,0,-9.67761,-8.56,-3.79,-9.42367029336418
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)NC(C)(C)C)cc3[C@H]3C=CC[C@H]32)cc1,C14480646_decoy,PA2GA,Decoy,0,-9.91917,-7.72,-4.65,-7.831774605319479
O=C(Nc1ccc2ccccc2c1)c1ccc(NS(=O)(=O)/C=C/c2ccccc2)cc1,C16598967_decoy,PA2GA,Decoy,0,-10.888,-9.14,-2.22,-8.56806041722204
Cc1ccc(NC(=O)C(=O)NCCc2sc(-c3ccc(Cl)cc3)nc2C)c(C)c1,C17025779_decoy,PA2GA,Decoy,0,-9.99306,-9.07,-3.13,-7.991567277148823
Cc1ccc(-c2nc(C)c(CCNC(=O)C(=O)Nc3cc(Cl)ccc3C)s2)cc1,C17051841_decoy,PA2GA,Decoy,0,-10.4227,-7.48,-0.51,-7.656214671583313
Cc1[nH]c2ccccc2c1/C=N\NC(=O)c1ccc(OC(F)(F)C(F)F)cc1,C17080332_decoy,PA2GA,Decoy,0,-7.91154,-9.35,-0.79,-8.216352383367697
C/C(=N\NC(=O)[C@H]1C[C@@H]1c1ccccc1)c1cccc(NC(=O)c2ccccc2C)c1,C17088930_decoy,PA2GA,Decoy,0,-10.2777,-9.65,-4.72,-9.4460989085562
Cc1ccc(-c2n[nH]c(SCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)n2)cc1,C21674860_decoy,PA2GA,Decoy,0,-12.0415,-8.36,-1.58,-9.688590602616966
C[C@@H](Sc1nc(-c2cccs2)n[nH]1)C(=O)N[C@H](C)c1ccc(Cl)cc1Cl,C22514196_decoy,PA2GA,Decoy,0,-12.1199,-8.26,-3.13,-9.76694956906633
Cc1ccc(NC(=O)/C(=C\c2ccc(N(C)C)cc2)NC(=O)c2ccccc2C)cc1,C27548552_decoy,PA2GA,Decoy,0,-9.08153,-7.1,-2.86,-7.5442138345323535
C=CCNC(=O)[C@@H]1C[C@@H](c2ccc(F)c(C)c2)CN(C(=O)NCc2ccccc2)C1,C34715903_decoy,PA2GA,Decoy,0,-9.29322,-8.88,-1.4,-10.105793492633966
Cc1cc([C@@H]2C[C@H](C(=O)NCCc3ccccc3)CN(C(=O)NC(C)C)C2)ccc1F,C34716288_decoy,PA2GA,Decoy,0,-9.24387,-8.23,-2.9,-8.568305166989125
Cc1cc([C@H]2C[C@H](C(=O)NCCc3ccccc3)CN(C(=O)NC(C)C)C2)ccc1F,C34716290_decoy,PA2GA,Decoy,0,-10.6847,-7.23,-1.64,-8.039445575800688
CC[C@H](C)NC(=O)c1cc(NC(=O)C2CCCC2)ccc1N1CCc2ccccc2C1,C35293933_decoy,PA2GA,Decoy,0,-11.0621,-6.2,-1.4,-7.501504700132132
C[C@H](NC(=O)CSc1nnc(Nc2ccccc2F)s1)[C@H]1C[C@H]2CC[C@@H]1C2,C36395102_decoy,PA2GA,Decoy,0,-12.2816,-7.96,-0.06,-9.001520704073256
CCCN(C(=O)C#Cc1ccccc1)[C@@H](C(=O)NC1CCCCC1)c1ccccc1O,C36570425_decoy,PA2GA,Decoy,0,-10.0529,-8.94,-3.42,-8.952840273994882
CC1=C(C(=O)Nc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCc2ccccc2)N1,C06530731_decoy,PA2GA,Decoy,0,-10.7268,-7.69,-1.9,-8.364461660699156
Cc1ccc(S(=O)(=O)[C@H](CNC(=O)Nc2ccc(C)c(C)c2)c2cccs2)cc1,C38564948_decoy,PA2GA,Decoy,0,-8.86959,-7.26,-2.8,-6.659625714301353
O=C(NC[C@@H](c1ccco1)N1CCc2ccccc21)Nc1ccc(C(F)(F)F)cc1,C38632065_decoy,PA2GA,Decoy,0,-8.42532,-7.01,-1.62,-6.876914444524592
O=C(CNC(=O)C12CC3CC(CC(C3)C1)C2)Nc1ccc(OCC(F)(F)F)cc1,C45818579_decoy,PA2GA,Decoy,0,-10.0105,-7.81,-1.77,-6.892699159894208
CC(C)(C)NC(=O)c1ccc(NC(=O)/C=C/c2ccc(OC(F)(F)F)cc2)cc1,C45936738_decoy,PA2GA,Decoy,0,-9.16236,-5.77,,99.0
C[C@@H](CC(=O)Nc1cc(C(F)(F)F)ccc1N1CCCC1)NC(=O)c1ccccc1,C46873968_decoy,PA2GA,Decoy,0,-9.48505,-8.98,-3.32,-9.128996378680698
CC[C@H](C)NC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CCCC1,C04782035_decoy,PA2GA,Decoy,0,-9.80341,-7.41,-2.69,-7.428844447675453
Cc1ccc(CN2C(=O)/C(=N\NC(=S)Nc3ccc(C)cc3)c3ccccc32)cc1,C06715224_decoy,PA2GA,Decoy,0,-8.86108,-9.32,-1.13,-10.293524662077289
O=C(CC[C@H](O)c1ccccc1)N/N=C/c1ccc(-c2ccc(Cl)cc2Cl)o1,C58886766_decoy,PA2GA,Decoy,0,-11.07,-8.43,-2.37,-8.375012878144405
Cc1cc(OCC(=O)NC(=S)/N=c2\[nH]ccs2)c(C(C)C)cc1Br,C12499981_decoy,PA2GA,Decoy,0,-11.7678,-8.4,-3.84,-11.58805739209968
CCOc1ccc(N[C@@H](c2ccc(N(C)C)cc2)c2ccc3cccnc3c2O)cc1,C59381979_decoy,PA2GA,Decoy,0,-10.8666,-7.33,-1.52,-7.156604768943206
O=C(Nc1cccc(-c2ccc(CO)o2)c1)c1ccc(-c2cccc(C(F)(F)F)c2)o1,C20140271_decoy,PA2GA,Decoy,0,-11.2819,-9.06,-2.68,-7.478960372881845
C[C@H](OC(=O)CCNC(=O)NC12CC3CC(CC(C3)C1)C2)c1cc(F)ccc1F,C59832142_decoy,PA2GA,Decoy,0,-9.70374,-9.17,-1.51,-8.548229517285193
CCC(CC)C(=O)N1CCC(NC(=O)N[C@@H](C)c2ccc(Cl)cc2Cl)CC1,C56446597_decoy,PA2GA,Decoy,0,-10.1563,-8.52,-2.44,-12.1735378718429
O=C(CC1CCN(C(=O)Nc2cccc(Cl)c2)CC1)NCCC1=CCCCC1,C35528864_decoy,PA2GA,Decoy,0,-10.3214,-8.51,-2.16,-7.984212869756275
C[C@H](CNC(=O)c1ccc(NC(=O)c2nsc3ccccc23)cc1)c1ccccc1,C35447542_decoy,PA2GA,Decoy,0,-9.39643,-7.48,-1.73,-6.817797502307565
O=C(Cc1cccs1)Nc1c(NCC2CCCCC2)c2ccccc2oc1=O,C46004950_decoy,PA2GA,Decoy,0,-10.6291,-7.6,-1.2,-9.791510208511705
Cc1ccc(NC(=O)N2CCC[C@@H](CCC(=O)NCc3ccc(C)c(C)c3)C2)cc1,C65136284_decoy,PA2GA,Decoy,0,-8.81975,-9.69,-1.59,-7.713454919477643
CCCC(=O)N[C@H]1CCCN(C(=O)NC(C)(C)c2cccc(C(F)(F)F)c2)C1,C67471403_decoy,PA2GA,Decoy,0,-9.95826,-8.73,-1.04,-10.98579773683776
CCN(CC)c1ccc(/C=N/NC(=O)CNC(=O)c2sc3ccccc3c2Cl)cc1,C04210841_decoy,PA2GA,Decoy,0,-11.7391,-7.55,-3.57,-9.622277823779273
CC(C)(C)NC(=O)[C@@H](c1ccco1)N(Cc1cccs1)C(=O)c1ccc(-c2ccccc2)[nH]1,C06074651_decoy,PA2GA,Decoy,0,-10.4073,-8.47,-1.87,-9.607866299354429
Cn1c(CNc2ccc(F)cc2)nnc1SCC(=O)Nc1cc(C(F)(F)F)ccc1Cl,C00877784_decoy,PA2GA,Decoy,0,-12.0168,-9.24,-2.76,-9.21312180582342
CCn1c(CNc2ccc(C)cc2C)nnc1SCC(=O)Nc1ccc(Br)cc1,C00786360_decoy,PA2GA,Decoy,0,-12.4645,-9.13,-2.02,-12.23097457557436
Cc1cc(Br)ccc1NC(=O)COC(=O)c1ccccc1NCc1ccco1,C09023202_decoy,PA2GA,Decoy,0,-9.04335,-7.39,-1.34,-7.854718868730745
O=C(Nc1ccc(F)cc1)[C@@H](Sc1nnc(NC[C@@H]2CCCO2)s1)c1ccccc1,C09580470_decoy,PA2GA,Decoy,0,-12.9296,-7.7,-0.75,-10.394570322779709
O=C(Nc1ccc(F)cc1)[C@H](Sc1nnc(NC[C@H]2CCCO2)s1)c1ccccc1,C09580476_decoy,PA2GA,Decoy,0,-14.236,-7.73,-4.71,-10.730195659736722
CC[C@H](C)c1ccc([C@@H](NC(=O)c2ccc(CN3C(=O)CNC3=O)cc2)c2cccs2)cc1,C09930348_decoy,PA2GA,Decoy,0,-10.8598,-6.87,-1.85,-7.299893554413514
N#C/C(C(=O)CSc1nnc(NCCc2ccccc2)s1)=C1/Nc2ccccc2S1,C10607338_decoy,PA2GA,Decoy,0,-14.5106,-9.04,-0.75,-10.797217584357853
C[C@@H]1CCCC[C@H]1NC(=O)CSc1nnc(SCC(=O)N[C@@H]2CCCC[C@@H]2C)s1,C10798256_decoy,PA2GA,Decoy,0,-13.2201,-7.15,-2.84,-8.644476032535302
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)NCc3ccc(OC(F)F)cc3)cc2)cc1C,C11325630_decoy,PA2GA,Decoy,0,-9.58461,-8.47,-2.33,-8.809628224871544
Cc1cc(C)c2cc(CN(CCCO)S(=O)(=O)c3ccc(C(C)(C)C)cc3)c(=O)[nH]c2c1,C12474279_decoy,PA2GA,Decoy,0,-9.9988,-8.32,-2.79,-10.227100587657054
Cc1ccc2cc(CN(Cc3ccc4c(c3)OCO4)C(=S)NCC(C)C)c(=O)[nH]c2c1C,C00875227_decoy,PA2GA,Decoy,0,-11.3787,-8.45,-2.41,-9.745646118205816
CCOc1ccc(NC(=S)N(Cc2ccco2)Cc2cc3c(C)ccc(C)c3[nH]c2=O)cc1,C01224567_decoy,PA2GA,Decoy,0,-9.66416,-9.37,-3.67,-11.176397671556847
O=C(COC(=O)C1(c2ccc(Cl)cc2)CCCC1)Nc1ccccc1C(=O)NC1CC1,C13059177_decoy,PA2GA,Decoy,0,-10.443,-7.97,-4.01,-11.73689375287475
CCOc1ccc(Nc2nnc(SCC(=O)N[C@@H]3CCCc4ccccc43)s2)cc1,C09613566_decoy,PA2GA,Decoy,0,-13.2809,-8.96,-1.17,-14.210548166727357
C=CCNS(=O)(=O)c1ccc(NC(=O)[C@H](C)Oc2c(C)cc(Br)cc2C)cc1,C14642769_decoy,PA2GA,Decoy,0,-10.3314,-6.37,-2.13,-6.6992193358742
CC(C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)OCC(=O)Nc1ccccc1C(F)(F)F,C18354476_decoy,PA2GA,Decoy,0,-10.6832,-8.89,-1.27,-11.751479070304187
C[C@H](OC(=O)c1cccc(NC(=O)c2cccs2)c1)C(=O)NCc1ccc(Cl)cc1,C18532185_decoy,PA2GA,Decoy,0,-11.3375,-9.12,-1.96,-9.584262583698967
CC(=O)NC12C[C@H]3C[C@@H](C1)CC(C(=O)OCC(=O)NCCc1ccc(C(C)C)cc1)(C3)C2,C18955665_decoy,PA2GA,Decoy,0,-10.7439,-8.87,-2.03,-9.317594796034037
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@H]1c1cccs1,C20028857_decoy,PA2GA,Decoy,0,-10.7129,-7.17,-2.17,-9.83419065005181
Cc1ccc([C@@H](C)NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2)c2ccccc2)cc1C,C26285558_decoy,PA2GA,Decoy,0,-9.98483,-7.89,-2.63,-8.43817735390204
CCCOc1c(Br)cc([C@@H]2NC(=S)NC(C)=C2C(=O)OC(C)C)cc1OC,C02184092_decoy,PA2GA,Decoy,0,-10.2662,-6.37,-1.14,-8.562136589672354
COCCCNC(=O)c1cc(NC(=O)c2ccc(C(C)(C)C)cc2)ccc1N1CCCCC1,C34721139_decoy,PA2GA,Decoy,0,-10.1996,-7.28,-3.6,-7.622915581840563
CC(C)c1ccc(OCc2nc(C(=O)NC3CCC(NC(=O)C4CCC4)CC3)cs2)cc1,C35957105_decoy,PA2GA,Decoy,0,-11.8728,-9.42,-1.88,-8.734640155369949
CC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)CCC1CCCCC1,C36495540_decoy,PA2GA,Decoy,0,-9.61848,-7.06,-2.52,-8.242291493177758
C[C@H](CC(=O)N(Cc1ccco1)[C@H](C(=O)NC(C)(C)C)c1cccc(O)c1)c1ccccc1,C36501587_decoy,PA2GA,Decoy,0,-9.49214,-8.34,-2.64,-9.28971836770122
C/C=C/[C@H](C(=O)NC1CCCCC1)N(C(=O)CNC(=O)c1ccccc1)c1ccccc1Cl,C36548259_decoy,PA2GA,Decoy,0,-9.69581,-8.41,-2.49,-8.895922669775583
C/C=C\[C@H](C(=O)NC1CCCCC1)N(C(=O)CNC(=O)c1ccccc1)c1cccc(Cl)c1,C36552759_decoy,PA2GA,Decoy,0,-10.2839,-8.75,-3.1,-11.187643426711412
C/C=C/[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)[C@@H]1CCC(=O)N1)c1cccc(Cl)c1,C36552976_decoy,PA2GA,Decoy,0,-9.88867,-7.71,-2.13,-10.221936159995453
CC(C)(C)N(C(=O)CNC(=O)c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccccc1,C36591185_decoy,PA2GA,Decoy,0,-8.90338,-5.93,-2.43,-6.898186246833817
CC(C)(C)CC(C)(C)NC(=O)[C@@H](C1CCCCC1)N(C(=O)[C@@H]1CCC(=O)N1)C(C)(C)C,C36591324_decoy,PA2GA,Decoy,0,-7.15416,-7.47,-1.89,-6.545604650985492
CCN1C=C[C@H](CN(CCc2c[nH]c3ccccc23)S(=O)(=O)c2cc(C)ccc2C)N1,C39248103_decoy,PA2GA,Decoy,0,-9.3659,-7.79,-2.4,-8.336106790172794
CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@@H]1c1cccs1,C39324769_decoy,PA2GA,Decoy,0,-11.3976,-7.91,-1.88,-8.862541221553963
Cc1cc(C)c(NC(=O)COC(=O)[C@H](NC(=O)c2ccccc2F)C(C)C)c(Cl)c1,C39653657_decoy,PA2GA,Decoy,0,-11.8643,-7.63,-4.45,-12.562380189218096
C=CCNC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCC=C)cc2)sc2c1CCCC2,C39992230_decoy,PA2GA,Decoy,0,-11.4247,-7.34,-2.05,-8.150410006034052
O=C(CCCCCn1c(=S)[nH]c2ccccc2c1=O)Nc1ccc(OC(F)(F)F)cc1,C45573971_decoy,PA2GA,Decoy,0,-10.0147,-7.35,-1.61,-8.42721867428635
CC(=O)NCCc1ccc(C(=O)CSc2nnc(Nc3cccc(C)c3C)s2)cc1F,C46690348_decoy,PA2GA,Decoy,0,-13.6482,-7.16,-1.68,-8.489067641351678
CC(C)CNC(=O)c1csc(CN(CC(C)C)C(=O)Nc2ccc(Cl)cc2Cl)n1,C00961243_decoy,PA2GA,Decoy,0,-10.1898,-8.7,-1.55,-9.593989184551866
C[C@@H]1CCCC[NH+]1CCCNC(=O)c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1,C57997156_decoy,PA2GA,Decoy,0,-11.3667,-9.75,-1.52,-9.457784718103747
CC(C)c1ccccc1OC[C@H](O)CN1C(=O)NC(c2ccccc2)(c2ccccc2)C1=O,C15234587_decoy,PA2GA,Decoy,0,-9.43498,-6.99,-2.55,-8.149799444962719
CCCC[C@H](CC)C(=O)Nc1ccc(NC(=O)c2cccc(S(C)(=O)=O)c2)c(Cl)c1,C32965088_decoy,PA2GA,Decoy,0,-9.57331,-7.34,-4.22,-7.0516136918338805
O=S(=O)(Cc1ccc(Cl)cc1)Nc1ccc(S(=O)(=O)NCCc2ccccc2)cc1,C59244766_decoy,PA2GA,Decoy,0,-10.1196,-6.12,-2.04,-7.162576995891152
O=C(NCc1cccnc1OCC(F)(F)F)N1CCC(CCc2ccc(O)cc2)CC1,C59303546_decoy,PA2GA,Decoy,0,-9.81383,-8.07,-1.41,-7.622832772763739
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)NCCCC(=O)Nc1ccc(Cl)cc1,C59581760_decoy,PA2GA,Decoy,0,-9.7275,-7.66,-0.51,-8.887440880280543
CC[C@H](C)c1ccc([C@@H](NC(=O)Cc2c(C)nc(-c3ccncc3)[nH]c2=O)c2cccs2)cc1,C59835744_decoy,PA2GA,Decoy,0,-11.1895,-7.59,-2.38,-9.17854973148894
CC(C)Oc1ccc(NC(=O)CCSCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)cc1,C59895999_decoy,PA2GA,Decoy,0,-11.5959,-7.26,-3.65,-9.192019417684548
O=C(CCCNS(=O)(=O)c1ccc(Cl)c(Cl)c1)Nc1ccc(OC(F)F)cc1,C29560306_decoy,PA2GA,Decoy,0,-10.0688,-7.31,-3.7,-8.100348825149279
CC[NH+](CC)c1ccc(CNC(=O)[C@@H]2CCCN(c3ccnc(-c4ccc(C)cc4)n3)C2)cc1,C64929023_decoy,PA2GA,Decoy,0,-10.9327,-9.0,-3.23,-8.002929821621054
CC[C@@H](C)c1ccc(OCc2nc(N)nc(C)c2C(=O)N(CC)CC)c(Br)c1,C66138360_decoy,PA2GA,Decoy,0,-9.04436,-6.6,-2.53,-7.702892741046952
CSCC[C@@H](NC(=O)/C(=C\c1ccc(Cl)cc1)NC(=O)c1ccc(C(C)(C)C)cc1)C(=O)[O-],C02910412_decoy,PA2GA,Decoy,0,-10.0502,-7.55,-4.25,-8.733674432467849
C[C@H](O)Cn1c(SCC(=O)NC2CCCCCCC2)nc2cc(C(=O)[O-])ccc2c1=O,C13051271_decoy,PA2GA,Decoy,0,-11.035,-8.38,-4.48,-8.089207103478387
CCc1ccc([C@@H](C)NC(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@H](C)O)cc1,C13052115_decoy,PA2GA,Decoy,0,-10.1021,-7.94,-3.16,-8.947490218814814
CCCc1ccc(NC(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@H](C)O)cc1,C13052570_decoy,PA2GA,Decoy,0,-10.1576,-6.92,-1.29,-7.143582914148843
CC(=O)Nc1ccc(-c2ccc(S(=O)(=O)Nc3cc(C(F)(F)F)ccc3C(=O)[O-])cc2)cc1,C13239409_decoy,PA2GA,Decoy,0,-9.47094,-7.77,-2.63,-6.75705024399275
CCNc1ccc(S(=O)(=O)C(F)(F)F)cc1NS(=O)(=O)c1ccc(F)c(C(=O)[O-])c1,C13250632_decoy,PA2GA,Decoy,0,-11.7394,-9.12,-1.9,-12.634068481170546
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc(F)c(F)c2F)c1,C13262766_decoy,PA2GA,Decoy,0,-12.6092,-7.82,-1.63,-9.658434871543184
O=C([O-])c1ccccc1NS(=O)(=O)c1cccc(NS(=O)(=O)c2ccc3ccccc3c2)c1,C13340720_decoy,PA2GA,Decoy,0,-10.9955,-10.3,-4.55,-11.519410104754366
O=C(CSc1nnc(NC2CCCCC2)s1)Nc1ccc(Br)cc1C(=O)[O-],C13341828_decoy,PA2GA,Decoy,0,-12.1865,-8.12,-0.74,-11.047542320776117
O=C([O-])/C=C/c1ccc(NC(=O)CSc2nnc(Nc3ccccc3C(F)(F)F)s2)cc1,C13401440_decoy,PA2GA,Decoy,0,-13.7239,-7.45,-1.76,-10.76009987180245
C=CCOC(=O)NCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C15722150_decoy,PA2GA,Decoy,0,-10.1647,-8.75,-3.81,-13.794002851516158
C[C@@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)Nc2ccc(Cl)cc2)C1,C17099323_decoy,PA2GA,Decoy,0,-9.598,-8.12,-0.97,-9.70429424279882
C[C@H](CC(=O)[O-])CC(=O)Nc1sc2c(c1C(=O)NC1CCCC1)CC[C@H](C(C)(C)C)C2,C19648073_decoy,PA2GA,Decoy,0,-11.6321,-7.24,-3.8,-8.661305566325229
CC[C@H]1CCc2c(sc(NC(=O)CCCC(=O)[O-])c2C(=O)Nc2ccc(Cl)cc2)C1,C19648385_decoy,PA2GA,Decoy,0,-10.9436,-7.59,-2.04,-8.629463937399008
C=COCCSc1n[nH]c(N/N=C/c2cc(Br)c([O-])c(Br)c2)n1,C21080530_decoy,PA2GA,Decoy,0,-12.6054,-7.15,-2.38,-10.954796501880196
CCC(CC)C(=O)Nc1ccc(C(=O)Nc2cc(Br)ccc2C(=O)[O-])cc1,C21145387_decoy,PA2GA,Decoy,0,-9.99105,-5.68,-1.93,-5.509927564533329
O=C(NCC(F)(F)F)c1cccc(NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1,C25710561_decoy,PA2GA,Decoy,0,-10.6821,-8.98,-1.64,-10.144779959167868
O=C([O-])CCNC(=O)/C(=C/c1ccccc1Cl)NC(=O)c1ccc(Cl)cc1Cl,C26804188_decoy,PA2GA,Decoy,0,-11.4861,-7.31,-2.45,-10.223064025268467
CCOc1ccc(-c2nnc([S-])n2N/N=C/c2ccc(N(CC)CC)cc2O)cc1,C28379592_decoy,PA2GA,Decoy,0,-13.2284,-9.17,-1.89,-9.673189862675162
Cc1ccc(-c2nnc(SCC(=O)NN/C=C3\C=CC(=O)C=C3[O-])n2-c2ccccc2)cc1,C04460667_decoy,PA2GA,Decoy,0,-11.4847,-9.44,-1.59,-15.575683614966705
COc1c([C@H](CC(C)C)OC(C)=O)ccc(Oc2c(O)cc(C)cc2CO)c1C(=O)[O-],C37538713_decoy,PA2GA,Decoy,0,-9.98825,-8.76,-1.99,-10.493839421742292
O=C(Cn1c([S-])nnc1-c1cccs1)NCC1=CN(c2ccccc2)N[C@H]1c1ccccc1,C39448168_decoy,PA2GA,Decoy,0,-12.0194,-6.99,-1.22,-8.3125081130565
O=C([O-])c1ccc(-n2ncc(NCCNc3ncc(C(F)(F)F)cc3Cl)c(Cl)c2=O)cc1,C13037360_decoy,PA2GA,Decoy,0,-11.066,-7.25,-2.64,-7.406363572778459
C[C@H]1Cc2ccccc2N1S(=O)(=O)c1ccc(NC(=S)NCc2ccc(C(=O)[O-])cc2)cc1,C39971087_decoy,PA2GA,Decoy,0,-10.6523,-5.86,-3.17,-5.8408793631049605
O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(NC(=S)Nc2ccc(Cl)cn2)cc1,C39971221_decoy,PA2GA,Decoy,0,-12.5726,-9.01,-2.38,-10.54572458694512
CC(C)(C)c1cc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2CCO)cc(C(C)(C)C)c1O,C40094589_decoy,PA2GA,Decoy,0,-12.349,-8.38,-2.14,-10.853680225892104
C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCO)cc1,C39898063_decoy,PA2GA,Decoy,0,-11.6948,-7.31,-1.16,-9.611997093518127
COc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCO)ccc1OCC(C)C,C39898121_decoy,PA2GA,Decoy,0,-11.9179,-7.72,-1.84,-11.770677302775963
O=C([O-])/C(NCc1sc(Cl)nc1Cl)=C(\[NH+]=C\c1c(Cl)cccc1Cl)C(=O)[O-],C44225996_decoy,PA2GA,Decoy,0,-11.9227,-7.91,-1.36,-12.469426915305572
COC(=O)c1ccc2c(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])c[nH]c2c1,C44321315_decoy,PA2GA,Decoy,0,-10.401,-9.44,-2.14,-11.473153467039278
COC(=O)c1ccc2[nH]cc(C[C@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])c2c1,C44321894_decoy,PA2GA,Decoy,0,-9.98784,-9.68,-2.4,-10.363474238739396
COC(=O)c1ccc2[nH]cc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])c2c1,C44321896_decoy,PA2GA,Decoy,0,-11.3878,-9.69,-2.29,-13.505910929731645
Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nc(COc4ccc(Cl)cc4)n[nH]3)c12,C13395286_decoy,PA2GA,Decoy,0,-10.7398,-8.74,-2.23,-7.417482160037442
O=C([O-])/C=C/c1ccc(S(=O)(=O)NC[C@@H](c2ccccc2Cl)c2c[nH]c3ccccc23)cc1,C13088069_decoy,PA2GA,Decoy,0,-9.75995,-7.99,-2.24,-8.148814767896404
O=C([O-])/C=C/c1ccc(NC[C@@H](c2ccccc2)c2c[nH]c3ccccc23)c([N+](=O)[O-])c1,C13191350_decoy,PA2GA,Decoy,0,-8.55485,-8.61,-2.83,-8.263077128503099
CC(C)[C@@H](Nc1ccc(C(F)(F)F)cc1Cl)/C([O-])=N/c1nc(C(F)(F)F)n[nH]1,C12736728_decoy,PA2GA,Decoy,0,-12.0927,-7.87,-2.28,-7.954243395305796
Cc1cc(=O)[nH]c(N/C(=N\C(=O)c2ccccc2)[N-]c2ccc(Oc3ccccc3)cc2)n1,C18142647_decoy,PA2GA,Decoy,0,-9.67294,-8.1,-2.4,-7.707385466701209
CC(C)[C@H](NC(=O)c1cccc(S(=O)(=O)[N-]c2ccccc2F)c1)c1nc2ccccc2[nH]1,C57886512_decoy,PA2GA,Decoy,0,-10.8908,-9.65,-2.48,-10.124332755605955
CCCS(=O)(=O)[N-]c1cccc(C(=O)N[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1,C32739868_decoy,PA2GA,Decoy,0,-11.0645,-7.82,-2.18,-8.465253242727002
CC1(C)CC([O-])=C(C(=S)Nc2ccc(Nc3ccccc3)cc2)/C(=N/CCN2CCOCC2)C1,C13923866_decoy,PA2GA,Decoy,0,-11.2306,-7.66,-1.97,-10.262461423962314
CC[C@@H](C)[C@H](NC(=O)c1ccc(Cl)cc1)C(=O)N[C@@H](C)c1cccc([N-]S(C)(=O)=O)c1,C59404306_decoy,PA2GA,Decoy,0,-10.8903,-8.41,-2.73,-9.00791447823223
Cc1cc(C)nc(N/C(=N\C(=O)c2ccccc2C)[N-]CCc2c[nH]c3ccc(Cl)cc23)n1,C18175863_decoy,PA2GA,Decoy,0,-10.4962,-10.53,-2.35,-11.847873785745652
Cc1ccc(NC(=O)[C@H](C)NC(=O)C2CCCCC2)cc1S(=O)(=O)[N-]c1ccccc1Cl,C59892211_decoy,PA2GA,Decoy,0,-12.0206,-8.61,-4.76,-8.83700513843056
Cc1ccc(C(=O)Nc2ccc(N3CCN(CC(=O)Nc4ccc(F)cc4)CC3)cc2C(=O)[O-])cc1,C64589321_decoy,PA2GA,Decoy,0,-12.0059,-7.87,-1.9,-9.541884399921434
CC(C)(C)NC(=O)CN1CCN(c2ccc(NC(=O)c3ccc(F)cc3)c(C(=O)[O-])c2)CC1,C64589482_decoy,PA2GA,Decoy,0,-9.67033,-6.47,-1.74,-7.096065363628177
Cc1ccc(NC(=O)c2ccccc2)c(-c2nnc(SCC(=O)Nc3ccc(F)cc3)nc2[O-])c1,C35377871_decoy,PA2GA,Decoy,0,-11.7936,-6.73,-1.26,-6.6443749330445225
CCC(=O)Nc1ccccc1-c1nnc(S[C@@H](CC)C(=O)Nc2ccc(C)c(Cl)c2)nc1[O-],C64774709_decoy,PA2GA,Decoy,0,-12.4279,-8.95,-3.4,-8.511276855128182
CC(=O)Nc1c(C)cccc1-c1nnc(SCC(=O)Nc2ccc(C(C)C)cc2)nc1[O-],C64774875_decoy,PA2GA,Decoy,0,-11.4518,-9.14,-2.17,-9.359666634125038
CCC(=O)Nc1ccc(C)cc1-c1nnc(S[C@H](C)C(=O)Nc2ccc(C)cc2)nc1[O-],C64774927_decoy,PA2GA,Decoy,0,-11.4397,-9.35,-2.41,-9.668591278101117
C=CCOC(=O)NCC[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C66327967_decoy,PA2GA,Decoy,0,-10.5701,-7.1,-2.33,-8.569674856973029
Cc1c(CCC(=O)NCCCC(=O)[O-])c(=O)oc2c(C)c3occ(C(C)(C)C)c3cc12,C02118747_decoy,PA2GA,Decoy,0,-11.4706,-9.14,-1.13,-12.135291062357618
CCCCc1cc(=O)oc2cc3occ(CCNC(=O)c4ccccc4C(=O)[O-])c3cc12,C09484971_decoy,PA2GA,Decoy,0,-9.96452,-8.67,-2.7,-8.349724073451936
COc1cc(/C=C/C(=O)[O-])cc(S(=O)(=O)N[C@@H](C)c2ccc3c(c2)CCCC3)c1OC,C13198794_decoy,PA2GA,Decoy,0,-10.2637,-7.81,-1.17,-10.527614684114374
CCCc1nnc(SCC(=O)Nc2c(Cl)cc(Cl)cc2Cl)n1CC(=O)[O-],C13201735_decoy,PA2GA,Decoy,0,-12.8699,-7.41,-2.99,-11.266387742025248
COc1ccc(C)cc1CCNc1ccc(S(=O)(=O)N2CCCCC2)cc1C(=O)[O-],C13212831_decoy,PA2GA,Decoy,0,-10.6629,-7.27,-3.63,-9.971588972958331
CN(C1CCCCC1)S(=O)(=O)c1ccc(NC(=O)C[C@H](C(=O)[O-])c2ccccc2)cc1,C13252386_decoy,PA2GA,Decoy,0,-11.3316,-7.68,-1.9,-7.917715407967541
COc1ccc([C@@H](CC(=O)[O-])NS(=O)(=O)c2c(C)c(C)c(C)c(C)c2C)cc1OC,C13261908_decoy,PA2GA,Decoy,0,-9.79655,-7.93,-2.68,-8.955928083006542
Cc1cc(C)cc(NC(=O)CSc2nnc(-c3cccs3)n2[C@H](C(=O)[O-])C(C)C)c1,C13271246_decoy,PA2GA,Decoy,0,-11.5378,-6.41,-1.62,-10.670398663923775
CCCc1ccc([C@@H](NS(=O)(=O)c2ccc(/C=C/C(=O)[O-])cc2)c2cccs2)cc1,C13315014_decoy,PA2GA,Decoy,0,-11.5718,-6.64,-1.85,-8.164722921002431
C=CCn1c(SCC(=O)N[C@H](C)c2ccccc2)nc2cc(C(=O)[O-])ccc2c1=O,C13363967_decoy,PA2GA,Decoy,0,-10.1253,-8.56,-1.7,-8.982082386631385
CCc1cc2c(=O)n(CC)c(SCC(=O)Nc3ccc(/C=C/C(=O)[O-])cc3)nc2s1,C13435614_decoy,PA2GA,Decoy,0,-12.0439,-8.4,-3.71,-8.595331781497341
COCCOc1cc(NC(=O)c2ccc(Br)cc2F)c(C(=O)[O-])cc1OC,C13453457_decoy,PA2GA,Decoy,0,-9.97712,-6.33,-1.95,-7.647595835936189
COCCOC(=O)C1=C(C)N(c2cccc(C)c2)C(=S)N[C@@H]1c1ccc(C(=O)[O-])cc1,C13460455_decoy,PA2GA,Decoy,0,-9.05152,-6.63,-2.39,-8.364800591408336
CCOC(=O)c1ccc(CN(C(=S)Nc2ccc(Cl)c(C)c2)[C@@H](CC(C)C)C(=O)[O-])cc1,C03036385_decoy,PA2GA,Decoy,0,-11.3514,-7.04,-2.01,-9.871273775564612
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccccc1C(=O)NCc1ccc(C)cc1,C22021389_decoy,PA2GA,Decoy,0,-9.36355,-7.98,-4.14,-10.068497607620223
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2ccc(O)cc2)cc1,C09969610_decoy,PA2GA,Decoy,0,-10.5142,-8.63,-1.35,-9.094992000301726
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC(C)C)N2[C@H]1c1ccc(OC)cc1,C35692660_decoy,PA2GA,Decoy,0,-9.05212,-7.67,-3.47,-8.491051221578577
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccncc3)N2[C@@H]1c1ccccc1,C35692719_decoy,PA2GA,Decoy,0,-10.456,-7.89,-4.6,-8.711867975755641
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccco3)N2[C@H]1c1ccccc1,C35692737_decoy,PA2GA,Decoy,0,-11.7188,-7.85,-3.28,-9.350141913395564
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCC3CC3)N2[C@H]1c1ccc(C)cc1,C35698176_decoy,PA2GA,Decoy,0,-10.6002,-6.53,-2.77,-6.859707399444984
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])NC3CC3)N2[C@@H]1c1cccc(F)c1,C35705098_decoy,PA2GA,Decoy,0,-10.8316,-7.03,-3.64,-8.909285214526895
COC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCCc3cccs3)N2[C@H]1c1ccccc1,C35970124_decoy,PA2GA,Decoy,0,-12.3859,-8.65,-0.79,-11.096731767441092
CC[C@@H](C)N/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)N(CC)CC)[C@@H](c3ccc(F)cc3)N12,C36052609_decoy,PA2GA,Decoy,0,-8.29198,-7.75,-3.78,-6.283143083956712
CC[C@@H](C)N/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OC)[C@@H](c3cccc(OC)c3)N12,C36053612_decoy,PA2GA,Decoy,0,-10.5325,-7.7,-2.63,-11.411227664710232
CCC1=C(C(=O)OC)[C@@H](c2ccccc2)N2C(/C=C(\[O-])NC[C@@H]3CCCO3)=CSC2=N1,C36058515_decoy,PA2GA,Decoy,0,-11.1605,-7.54,-1.91,-8.944955355048693
O=C([O-])CCN(Cc1ccco1)C(=O)c1csc(Nc2cc(Cl)ccc2Cl)n1,C37426974_decoy,PA2GA,Decoy,0,-11.3659,-7.28,-2.35,-9.03693798983648
CC(C)c1ccc(O[C@@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1,C12137052_decoy,PA2GA,Decoy,0,-11.8525,-7.87,-2.62,-7.152496610147161
CC(C)[C@@H](C(=O)[O-])n1c(SCC(=O)NC2CCCCC2)nnc1-c1cccs1,C13271360_decoy,PA2GA,Decoy,0,-12.52,-8.22,-1.49,-10.551410912215765
CC(C)[C@H](NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)C(=O)[O-])c1ccccc1,C13445653_decoy,PA2GA,Decoy,0,-9.69531,-8.38,-1.78,-10.488385950499936
CC(C)[C@@H](NC(=O)CSc1nc2ccccc2c(=O)n1[C@H](C)C(=O)[O-])c1cccs1,C13445673_decoy,PA2GA,Decoy,0,-11.454,-7.94,-2.74,-8.558123972254656
Cc1ccc(-c2nnc(SCC(=O)N[C@@H]3CCC[C@@H](C)[C@@H]3C)n2CCC(=O)[O-])cc1,C39709836_decoy,PA2GA,Decoy,0,-10.4909,-8.01,-3.78,-8.727544775237119
CC(C)c1ccc(NC(=O)[C@@H](C)Sc2nnc(-c3cccs3)n2CC(=O)[O-])cc1,C13203596_decoy,PA2GA,Decoy,0,-11.386,-8.43,-2.19,-11.0167278833122
CCOC(=O)[C@@H]1C2=C(CCCC2)S[C@H]1NC(=O)[C@@H](C)Sc1nc([O-])cc(CC)n1,C39724690_decoy,PA2GA,Decoy,0,-12.6756,-7.54,-2.78,-11.988596969431846
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)[C@@H]1c1ccc(O)cc1,C40030688_decoy,PA2GA,Decoy,0,-11.3624,-6.34,-3.03,-7.239327926736282
CC(C)COc1ccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@H]2c2c(Cl)cccc2Cl)cc1,C40048588_decoy,PA2GA,Decoy,0,-9.29811,-7.22,-3.11,-6.962899259636008
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(CCCO)[C@H]3c3ccc(C(C)C)cc3)oc12,C40053319_decoy,PA2GA,Decoy,0,-11.4605,-7.6,-1.56,-10.291214797079364
O=C(C1=C([O-])C(=O)N(CCCO)[C@H]1c1ccc(F)cc1)c1cccc(OCc2ccc(Cl)cc2)c1,C40054837_decoy,PA2GA,Decoy,0,-12.6922,-8.79,-3.07,-9.522032463101516
O=C(C1=C([O-])C(=O)N(CCCO)[C@@H]1c1ccc(Cl)cc1)c1cccc(OCc2ccc(F)cc2)c1,C40054984_decoy,PA2GA,Decoy,0,-12.0999,-9.33,-2.5,-12.992781340267516
O=C(C1=C([O-])C(=O)N(CCO)[C@H]1c1c(F)cccc1Cl)c1cccc(OCc2ccc(F)cc2)c1,C40109421_decoy,PA2GA,Decoy,0,-11.194,-8.9,-4.56,-12.137443583563382
COc1ccc([C@@H]2NC(=O)C([O-])=C2C(=O)c2cc(C)c(OCC(C)C)c(C)c2)c(OC)c1,C40124281_decoy,PA2GA,Decoy,0,-10.0767,-6.3,-2.54,-6.592743083867932
C=CCOc1ccccc1[C@H]1NC(=O)C([O-])=C1C(=O)c1cccc(OCc2ccc(Cl)cc2)c1,C40126628_decoy,PA2GA,Decoy,0,-10.0741,-6.97,-4.13,-6.523243188425324
CCC(C)(C)C(=O)O[C@H]1C[C@H](C(=O)[O-])C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H]21,C44019475_decoy,PA2GA,Decoy,0,-11.4642,-7.61,-1.1,-13.417963862918278
COc1c(F)cc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1Cl,C44321746_decoy,PA2GA,Decoy,0,-10.8789,-9.98,-2.87,-13.24320328378366
Cc1cc(F)ccc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)NC(C)(C)C,C58152789_decoy,PA2GA,Decoy,0,-11.2504,-7.39,-1.41,-9.79816491362885
CCN(CCNC(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1)c1ccccc1C,C58952845_decoy,PA2GA,Decoy,0,-9.8869,-7.67,-3.43,-8.238693143103301
C=CCO/C([O-])=C1/C(C)=Nc2nc(SCCCC)[nH]c(=O)c2[C@H]1c1ccc(Cl)cc1,C13114394_decoy,PA2GA,Decoy,0,-10.307,-7.4,-0.99,-19.98965988760997
CCn1nc(C)c(CC[N-]/C(=N\C(=O)c2ccc(Cl)cc2)Nc2ccc(F)c(Cl)c2)c1C,C32973393_decoy,PA2GA,Decoy,0,-10.1477,-6.84,-3.92,-6.83585849479599
Cc1ccc(CNC(=O)CSc2nc(-c3ccccc3)[n-]c2S(=O)(=O)c2ccccc2)cc1,C12112475_decoy,PA2GA,Decoy,0,-11.2793,-8.6,-2.3,-10.916784291528668
Cc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCCC(C)C)nc2[O-])cc1Cl,C46016330_decoy,PA2GA,Decoy,0,-13.2512,-7.93,-3.3,-13.542223749870663
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)[C@H](C)c3ccc(CC(C)C)cc3)cc2)no1,C66198682_decoy,PA2GA,Decoy,0,-11.6761,-9.66,-1.42,-11.804210867022416
CCSc1nc(SCC)c2c3c([nH]c2n1)COC(C)(C)C3,C01246112_decoy,PA2GA,Decoy,0,-11.6169,-6.15,-0.69,-9.934145460748804
Cc1ccc(-c2csc3ncnc(NCc4ccco4)c23)cc1,C00066604_decoy,PA2GA,Decoy,0,-10.1626,-7.97,-0.24,-10.96291962883213
O=[N+]([O-])c1ccccc1CSc1cc2ccccc2[nH]1,C00480272_decoy,PA2GA,Decoy,0,-6.37938,-7.18,-1.1,-6.0221877951401845
CC(C)(C)OC(=O)N/N=C/c1ccc(Br)s1,C05481436_decoy,PA2GA,Decoy,0,-9.51355,-4.72,-0.6,-5.49085799074531
CN(C)c1ccc(Nc2cc(-c3ccccc3)ncn2)cc1,C01286910_decoy,PA2GA,Decoy,0,-8.76047,-7.9,-1.54,-6.854691838842177
CC(C)(C)c1ccc(NS(=O)(=O)c2cccc(C#N)c2)cc1,C06316064_decoy,PA2GA,Decoy,0,-9.86943,-7.34,-2.62,-9.69278959091536
Cc1ccc2[nH]c(SCc3ccc(-n4cccn4)cc3)nc2c1,C08458510_decoy,PA2GA,Decoy,0,-10.4129,-8.52,-0.73,-15.38620853276818
CN(C)c1cccc(C(=O)Nc2nc(C(C)(C)C)cs2)c1,C14793895_decoy,PA2GA,Decoy,0,-9.58084,-6.06,-1.7,-6.148255167677014
O=C1C=C(Nc2ccc(Cl)cc2)C(=O)N1Cc1ccccc1,C21945363_decoy,PA2GA,Decoy,0,-7.59646,-8.39,-1.61,-7.476275621867292
CC(C)=C[C@@H]1[C@@H](C(=O)Nc2nnc(C(C)C)s2)C1(C)C,C26601279_decoy,PA2GA,Decoy,0,-11.0709,-5.89,-2.69,-6.293477481305783
FC(F)(F)c1ccnc(Nc2ccc(-c3nccs3)cc2)n1,C29374849_decoy,PA2GA,Decoy,0,-9.60472,-6.72,-1.7,-6.228902461213247
C[C@H](Nc1ccc(Cl)cc1[N+](=O)[O-])c1ccccc1F,C34979166_decoy,PA2GA,Decoy,0,-6.81363,-7.72,-2.28,-7.090514128474092
CC(C)[C@H](Nc1ccc(F)cc1[N+](=O)[O-])c1ccccc1,C35019715_decoy,PA2GA,Decoy,0,-8.21146,-7.05,-0.65,-8.922286277093042
C[C@@H](Nc1ccc([N+](=O)[O-])cc1)c1cccc(Br)c1,C35230941_decoy,PA2GA,Decoy,0,-7.62069,-6.38,-1.43,-6.318291480405572
O=[N+]([O-])c1ccc(F)cc1CNc1cc(Cl)cc(Cl)c1,C35308042_decoy,PA2GA,Decoy,0,-7.53231,-7.31,-1.29,-7.332777807228631
O=[N+]([O-])c1ccc(NCc2ccc(F)c(F)c2)c(Cl)c1,C36971000_decoy,PA2GA,Decoy,0,-8.05993,-6.72,-0.99,-6.760132016525986
C[C@H](Nc1ccccc1-c1nncn1C)c1ccc(Cl)s1,C37028000_decoy,PA2GA,Decoy,0,-9.6295,-5.18,-4.66,-5.379347178600737
Cc1cc([C@@H](C)Nc2ccc(C)c([N+](=O)[O-])c2)c(C)s1,C37059066_decoy,PA2GA,Decoy,0,-5.73341,-7.2,-1.26,-6.702789648152735
Cc1ccc(N[C@H](C)c2ccc(F)c(F)c2)cc1[N+](=O)[O-],C37059172_decoy,PA2GA,Decoy,0,-6.68335,-5.43,-1.64,-4.035666343745028
Cc1ccc(N[C@H](C)c2ccc(F)cc2F)c([N+](=O)[O-])c1,C37059743_decoy,PA2GA,Decoy,0,-7.20712,-4.93,-1.66,-4.254512854950127
O=[N+]([O-])c1ccc(Cl)c(NCc2ccc(Cl)cc2)c1,C37059949_decoy,PA2GA,Decoy,0,-7.51507,-6.78,-1.39,-6.416724188347876
Cc1cc(C)c(CNc2cc([N+](=O)[O-])ccc2F)c(C)c1,C37060307_decoy,PA2GA,Decoy,0,-8.39274,-8.22,-1.27,-8.80334115812456
C[C@@H](Nc1cc([N+](=O)[O-])ccc1F)c1ccc(Cl)cc1,C37060369_decoy,PA2GA,Decoy,0,-8.56844,-7.73,-1.96,-9.37394693271394
C[C@H](Nc1ccc(Cl)c([N+](=O)[O-])c1)c1cc(F)ccc1F,C37061029_decoy,PA2GA,Decoy,0,-7.13275,-5.46,-0.93,-5.975385963655961
C[C@@H](Nc1cc([N+](=O)[O-])c(F)cc1F)c1ccccc1Cl,C37076782_decoy,PA2GA,Decoy,0,-7.4707,-7.84,-0.4,-11.226305028801107
Fc1ccc(-c2noc(CNc3ccc(Cl)cc3)n2)cc1,C37390015_decoy,PA2GA,Decoy,0,-11.2085,-5.63,-1.73,-6.3706285026679605
O=[N+]([O-])c1ccc(NC[C@H]2Cc3ccccc32)c(Cl)c1,C37566361_decoy,PA2GA,Decoy,0,-6.4363,-8.06,-0.37,-6.525757768170531
Cc1ccc([C@@H](C)N[C@@H](C)c2ccccc2[N+](=O)[O-])cc1,C37770196_decoy,PA2GA,Decoy,0,-6.13719,-7.48,-2.09,-6.92920716448367
COc1cc(C)ccc1N[C@@H](C)c1ccc2c(c1)OCO2,C37783054_decoy,PA2GA,Decoy,0,-8.10299,-7.59,-0.81,-7.792061139324822
O=[N+]([O-])c1cc(C(F)(F)F)ccc1Sc1ccc(O)cc1,C37995907_decoy,PA2GA,Decoy,0,-5.20726,-6.26,-1.23,-4.856780921561292
CC(C)c1ccc([C@H](C)NC(=O)c2ccc(Cl)nn2)cc1,C38103963_decoy,PA2GA,Decoy,0,-8.62526,-7.88,-1.36,-8.53304348891094
CCO[C@@H]1CCC[C@]2(CCC[C@H](c3ccccc3O)C2)N1OC,C39521945_decoy,PA2GA,Decoy,0,-8.8696,-7.73,-0.94,-8.92549073288607
CC1=C(Sc2ccccc2/N=C/c2ccccc2O)[C@H](C)N=N1,C39697195_decoy,PA2GA,Decoy,0,-9.6644,-7.83,-1.54,-8.326967888448053
Cc1ccc([C@H](C)Nc2cccc(F)c2F)cc1[N+](=O)[O-],C40230155_decoy,PA2GA,Decoy,0,-7.22566,-5.6,-0.98,-4.504055380938497
Cc1ccc([N+](=O)[O-])cc1N[C@@H](c1cccs1)C1CC1,C42330441_decoy,PA2GA,Decoy,0,-7.9471,-7.22,-0.44,-7.943713162118658
CC(C)c1ccc(NC(=O)N(C)Cc2ccc(C#N)cc2)cc1,C43192235_decoy,PA2GA,Decoy,0,-6.94517,-6.79,-2.12,-6.18095065806684
O=[N+]([O-])c1cc(NCc2ccc(Cl)c(F)c2)c(F)cc1F,C43389477_decoy,PA2GA,Decoy,0,-9.55784,-7.86,-1.06,-9.50468526959379
Cc1ccc([C@H](C)NC(=O)/C=C/c2ccc3c(c2)OCO3)cc1,C44900207_decoy,PA2GA,Decoy,0,-8.61022,-7.53,-1.18,-6.414985599465622
O=[N+]([O-])c1ccc(NC[C@@H]2CCCc3ccccc32)s1,C48999636_decoy,PA2GA,Decoy,0,-8.49109,-7.99,-0.75,-8.992521250854441
CN(C)c1[nH+]c(-c2ccc(C(C)(C)C)cc2)ccc1C(=O)[O-],C49904145_decoy,PA2GA,Decoy,0,-10.4114,-8.26,-0.73,-12.298279089568569
Cc1ccc(NCc2ccc([N+](=O)[O-])cc2Cl)c(F)c1,C49963282_decoy,PA2GA,Decoy,0,-7.58981,-7.49,-1.19,-7.013066713369599
CCNc1nc(-c2ccc(N(C)C)cc2)nc(C)c1CC,C50864829_decoy,PA2GA,Decoy,0,-7.67735,-7.23,-0.79,-6.548979378348689
CCNc1cc(COC)nc(-c2c(C)cc(C)cc2C)n1,C51698096_decoy,PA2GA,Decoy,0,-7.17055,-7.02,-2.46,-7.143562206026402
CC(C)(C)c1ccc(S(=O)(=O)NC2(C#N)CCCC2)cc1,C57636945_decoy,PA2GA,Decoy,0,-11.0787,-8.17,-1.86,-14.2820819233166
CC(C)c1ccc(CN(C)C(=O)NC[C@H]2CCOC2)cc1,C47067002_decoy,PA2GA,Decoy,0,-7.50495,-7.47,-0.16,-7.569749905649934
CC[C@H](C)c1ccc(S(=O)(=O)/N=c2\[nH]ccs2)cc1,C60486740_decoy,PA2GA,Decoy,0,-7.46947,-7.43,-0.39,-7.082934596063485
Clc1cccc(Cl)c1NCc1nnc(-c2ccccc2)o1,C62639527_decoy,PA2GA,Decoy,0,-8.76458,-7.76,-0.95,-7.655334157303974
C[C@@H](CC(=O)N1CCCC[C@@H]1C)NC(=O)C1CCCCC1,C66269321_decoy,PA2GA,Decoy,0,-8.42939,-7.11,-1.6,-7.384643808960409
C[C@H]1CCCN(C(=O)C[C@@H](C)NC(=O)C2CCCCC2)C1,C66590196_decoy,PA2GA,Decoy,0,-8.2578,-8.58,-1.28,-7.850434943151787
CC[C@@H]1CN(C(=O)N[C@H](C)Cc2ccc(C)cc2C)CCO1,C66618027_decoy,PA2GA,Decoy,0,-7.89123,-8.24,-3.14,-9.522212974788646
CCOC(=O)c1c(NC(C)=O)sc(C(=O)OC(C)C)c1C,C00149440_decoy,PA2GA,Decoy,0,-7.97907,-6.94,-1.82,-8.312905879013814
COc1cc(OC)c(C(=O)O[C@H]2CCCC[C@@H]2O)cc1OC,C02069699_decoy,PA2GA,Decoy,0,-7.95474,-6.64,-1.93,-7.021271899702554
C[C@@H](CCc1ccco1)Nc1nnnn1-c1ccccc1,C08205210_decoy,PA2GA,Decoy,0,-8.17341,-5.7,-0.78,-5.005635254470145
COC(=O)c1ccc(S(=O)(=O)N[C@@H](C)c2ccco2)cc1,C08709163_decoy,PA2GA,Decoy,0,-7.98748,-7.0,-1.99,-6.789238026090916
C=CCNC(=O)CSc1nnnn1-c1ccc(C)c(C)c1,C11618376_decoy,PA2GA,Decoy,0,-10.2972,-6.35,-2.37,-8.676053715325457
C[C@@H](C#N)OC(=O)c1ccc(S(=O)(=O)NC(C)(C)C)cc1,C24724050_decoy,PA2GA,Decoy,0,-10.1048,-6.91,-2.38,-8.03968292890551
C=CCNC(=O)[C@H](C)OC(=O)c1nc(SC)ncc1Cl,C28470602_decoy,PA2GA,Decoy,0,-9.01804,-6.74,-2.05,-8.168950548789038
O=[N+]([O-])c1ccc(CS(=O)(=O)NCc2cccs2)cc1,C32804260_decoy,PA2GA,Decoy,0,-8.51319,-6.99,-0.07,-8.150041507790215
COC(=O)[C@H](NS(=O)(=O)N(C)C1CCCCC1)C(C)C,C35220835_decoy,PA2GA,Decoy,0,-9.32063,-7.09,-2.53,-8.068571193127491
CCOCCCNc1cc2nc(C)sc2cc1[N+](=O)[O-],C35342569_decoy,PA2GA,Decoy,0,-7.43898,-6.81,-2.83,-9.022519710185216
CCOc1ncccc1NCc1c(OC)nc2sccn12,C37294127_decoy,PA2GA,Decoy,0,-8.56314,-6.24,-1.19,-7.468424333992832
CCOc1cc(-c2n[nH]c(C)n2)cc(OCC)c1OCC,C37374468_decoy,PA2GA,Decoy,0,-7.4666,-6.28,-2.69,-7.494187811210338
C[C@@H](NS(=O)(=O)CCCCl)c1cccc([N+](=O)[O-])c1,C37843567_decoy,PA2GA,Decoy,0,-8.53934,-6.45,-0.73,-7.929810421410063
C/C=C/c1ccc(OCCN2C(=O)NC(C)(C)C2=O)c(OC)c1,C00614207_decoy,PA2GA,Decoy,0,-7.87984,-7.96,-1.57,-8.9559846436313
CCN(C(=O)CN1C(=O)NC(CC)(CC)C1=O)c1ccccc1,C39570327_decoy,PA2GA,Decoy,0,-6.95877,-7.51,-2.02,-8.66180355822915
CC1=C(C(=O)OC(C)C)[C@@H](C)N=C1C(=O)NCCc1ccco1,C39738531_decoy,PA2GA,Decoy,0,-7.6824,-7.55,-2.22,-6.909415726728302
O=[N+]([O-])c1cc(C(F)(F)F)cnc1NCCc1ccncc1,C39956627_decoy,PA2GA,Decoy,0,-7.82922,-7.91,-1.76,-8.205479326743355
CCN(CCCO)c1ncnc2c1cnn2-c1ccccc1C,C40227537_decoy,PA2GA,Decoy,0,-8.8182,-7.94,-1.04,-12.934524165881957
CCCCc1nc(CSc2nnc(CC)n2C)cc(=O)[nH]1,C41359722_decoy,PA2GA,Decoy,0,-10.583,-7.08,-1.01,-8.980317736145642
CCOC(=O)c1cnc(NC)nc1CN1CCc2ccccc21,C41391879_decoy,PA2GA,Decoy,0,-7.03388,-7.5,-1.1,-7.694740088326008
COC[C@H](O)CN(C)c1ccc(C(F)(F)F)cc1[N+](=O)[O-],C42287564_decoy,PA2GA,Decoy,0,-6.28395,-7.25,-0.77,-6.74505586627648
COCCOC(=O)c1sc(NC(=O)c2ccco2)cc1C,C45917439_decoy,PA2GA,Decoy,0,-8.35951,-6.58,-1.85,-7.2489048655805535
Cc1cc(C)n(C[C@H](C)CNC(=O)N(C)Cc2ccco2)n1,C47095627_decoy,PA2GA,Decoy,0,-7.4941,-7.49,-0.89,-7.111530874545219
C[C@H](OCCCNc1ccc2nncn2n1)c1ccccc1,C48235799_decoy,PA2GA,Decoy,0,-7.92536,-6.92,-2.71,-7.802451766629271
CC[C@H]1CCCC[C@H]1NC(=O)CCSc1nnnn1C,C48703301_decoy,PA2GA,Decoy,0,-8.19243,-7.04,-0.87,-7.890121056717553
CC(C)c1nc(CSc2nnc(NC3CC3)s2)no1,C48872814_decoy,PA2GA,Decoy,0,-12.0075,-7.1,-0.22,-11.1072746030512
CCNc1nnc(SCc2noc(C(C)C)n2)s1,C48872898_decoy,PA2GA,Decoy,0,-11.9461,-6.72,-1.21,-8.211757808828585
CCN(Cc1ccco1)c1ccc([C@@H](C)O)cc1[N+](=O)[O-],C48906148_decoy,PA2GA,Decoy,0,-6.66646,-6.92,-1.49,-6.770484900626904
CCC[C@@H](C)N(C)S(=O)(=O)c1c(NC)nc2sccn12,C50658730_decoy,PA2GA,Decoy,0,-9.47573,-6.81,-1.83,-10.785425391575666
CCCNc1ccc([N+](=O)[O-])c(C(=O)N(C)[C@H](C)CC)c1,C50746784_decoy,PA2GA,Decoy,0,-6.62136,-6.55,-3.95,-7.155577515628187
CCCNc1ccc(CN2CCOC[C@H]2C)cc1[N+](=O)[O-],C50813622_decoy,PA2GA,Decoy,0,-7.46896,-7.4,,99.0
CCNc1snnc1COc1ccc(C#N)cc1OC,C50830660_decoy,PA2GA,Decoy,0,-8.0497,-6.33,-2.32,-7.485527824728122
CCNc1cc(C(=O)N(C)C[C@@H](C)CC)ccc1[N+](=O)[O-],C54414658_decoy,PA2GA,Decoy,0,-6.66265,-7.03,-0.67,-7.829007759924593
Cc1noc([C@H](C)Nc2ccc(OC[C@@H]3CCCO3)cc2)n1,C59830154_decoy,PA2GA,Decoy,0,-8.98722,-7.26,-2.11,-6.838638898006145
CCCNc1ccc(C(=O)N(C)[C@@H](C)CC)cc1[N+](=O)[O-],C50746748_decoy,PA2GA,Decoy,0,-6.86849,-5.66,-2.34,-5.599021719845172
CCCN(CC(=O)NC)C(=O)/C=C/c1ccc2c(c1)OCO2,C60403107_decoy,PA2GA,Decoy,0,-7.68495,-5.97,-0.91,-7.061404963813924
CC(=O)c1cc([N+](=O)[O-])ccc1N1CCC[C@@H]1CCCO,C61570036_decoy,PA2GA,Decoy,0,-7.06564,-6.35,-0.56,-6.519704420113377
COc1ccc(CNCCc2ccc([N+](=O)[O-])cc2)cn1,C62070718_decoy,PA2GA,Decoy,0,-7.53458,-5.62,-0.74,-6.506185424552525
CC(C)COc1ccc(-n2nnc(CO)c2-c2ccco2)cc1,C62262214_decoy,PA2GA,Decoy,0,-9.31984,-8.0,-0.86,-10.009001959695889
COc1cc(OC)cc(-c2c(CO)nnn2CC(C)C)c1,C62300699_decoy,PA2GA,Decoy,0,-9.65269,-6.85,-0.89,-11.50092727068498
CCCS(=O)(=O)N1CCC(NC(=O)N(C)CC(C)C)CC1,C62484499_decoy,PA2GA,Decoy,0,-7.68333,-6.46,-2.38,-6.697837861235637
CCCNc1ccc(CN2C[C@@H](C)CC2=O)cc1[N+](=O)[O-],C62817758_decoy,PA2GA,Decoy,0,-6.33722,-5.92,-1.01,-5.011807976863731
CCCc1noc(CNc2cc(C#N)ccc2OCC)n1,C63472415_decoy,PA2GA,Decoy,0,-7.66809,-6.69,-0.83,-7.707781655178722
CCOC(=O)CN(C)Cc1cc(=O)oc2c(C)c(O)ccc12,C63512872_decoy,PA2GA,Decoy,0,-7.48123,-7.25,-1.14,-7.485315724933748
COC(=O)c1ccc(OC(C)C)c(NC(=O)c2ccoc2)c1,C63621562_decoy,PA2GA,Decoy,0,-7.67964,-4.99,-2.49,-5.247410581464748
CC(C)CCO[C@H](C)C(=O)Nc1ccc2c(c1)n(C)c(=O)n2C,C64407336_decoy,PA2GA,Decoy,0,-8.28214,-6.0,-2.02,-6.6013077353696135
CCCCCC[C@H](C)Nc1c(C#N)c(=O)n(C)c(=O)n1C,C66410877_decoy,PA2GA,Decoy,0,-7.94799,-7.34,-1.38,-9.803252845447965
COCC[C@@H](C)Nc1nc2ccc([N+](=O)[O-])cc2s1,C66466086_decoy,PA2GA,Decoy,0,-9.08162,-6.64,-1.58,-8.467133985224628
CN(C)c1ccc(NC(=O)c2ccc(OCC3CC3)nc2)nc1,C66641454_decoy,PA2GA,Decoy,0,-8.42717,-6.19,-2.62,-5.732878518389541
CC(=O)N[C@@H](C(=O)O[C@@H](C)c1ccc2c(c1)OCO2)C(C)C,C66882086_decoy,PA2GA,Decoy,0,-7.97564,-8.22,-2.38,-8.496461065115122
Cc1ccc(/C=N/Nc2ccc(Cl)nn2)o1,C04963885_decoy,PA2GA,Decoy,0,-7.56817,-5.39,-1.49,-4.552981596594623
O=C1CCCC(Nc2ccc([N+](=O)[O-])cc2)=C1Cl,C05224127_decoy,PA2GA,Decoy,0,-6.79714,-7.62,-1.9,-7.852777089332049
c1ccc(Nc2nnc(-c3cnccn3)s2)cc1,C01238279_decoy,PA2GA,Decoy,0,-10.5039,-6.09,-0.91,-6.955937761476385
C#CCSc1nnc2[nH]c(=O)cc(C(C)(C)C)n12,C09018713_decoy,PA2GA,Decoy,0,-9.18503,-5.57,,99.0
C=CCSc1nc(-c2ccco2)c(C#N)c(=O)[nH]1,C14076135_decoy,PA2GA,Decoy,0,-9.6588,-6.91,-1.45,-8.564029711405063
CCSc1nc(-c2c(Cl)c(CC)nn2C)n[nH]1,C05686722_decoy,PA2GA,Decoy,0,-10.2429,-6.84,-1.81,-8.014032351191007
CNc1nccc(-c2cnn(-c3ccccc3C)c2)n1,C20543194_decoy,PA2GA,Decoy,0,-7.37469,-8.74,-0.74,-8.047488561001897
Cc1nnc(-c2ccccc2N[C@@H](C)c2ccco2)o1,C36932356_decoy,PA2GA,Decoy,0,-6.59461,-8.12,-0.99,-7.2012181128397525
C1=CC[C@@H](CNc2cccc(-n3cnnn3)c2)CC1,C36958071_decoy,PA2GA,Decoy,0,-6.52493,-8.18,-1.41,-6.861403459123828
Cc1ccc([C@@H](C)N[C@H](C)c2nnc3ccccn23)o1,C36969115_decoy,PA2GA,Decoy,0,-7.98731,-6.92,-1.59,-7.00558269771052
C[C@@H](Nc1ccccc1-n1cnnn1)c1cccs1,C37015370_decoy,PA2GA,Decoy,0,-9.40248,-6.82,-0.28,-10.120991980892262
O=[N+]([O-])c1cc(Cl)ccc1O[C@H]1CCC[C@H]1O,C37694796_decoy,PA2GA,Decoy,0,-6.02261,-7.21,-0.54,-6.496715835234506
CC1=C([C@H](c2ccccc2)C(C#N)C#N)[C@@H](O)N=N1,C38574013_decoy,PA2GA,Decoy,0,-9.09285,-7.94,-1.47,-10.550176440785355
CC1=C([C@H](c2ccc(C)cc2)C(C#N)C#N)[C@@H](O)N=N1,C39024727_decoy,PA2GA,Decoy,0,-8.60997,-8.2,-1.43,-10.628728395337292
CC[C@@H](C)OC(=O)N[C@@H]1CCS(=O)(=O)C1,C40166670_decoy,PA2GA,Decoy,0,-7.24991,-6.09,-0.48,-6.438663219545043
O=[N+]([O-])c1ccc([C@H](O)c2ccc(F)c(F)c2)o1,C40254712_decoy,PA2GA,Decoy,0,-9.04425,-7.73,-1.14,-7.878866632264008
O=[N+]([O-])c1cc(Cl)ccc1N1CCC[C@H](CO)C1,C40412374_decoy,PA2GA,Decoy,0,-6.08215,-7.26,-0.45,-7.619034365569786
O=[N+]([O-])c1c(F)cccc1N1CCC[C@H](CO)C1,C40452965_decoy,PA2GA,Decoy,0,-6.55917,-7.23,-0.52,-7.637998434902568
O=[N+]([O-])c1cc(F)cc(N2CCC[C@@H](CO)C2)c1,C40452968_decoy,PA2GA,Decoy,0,-7.65237,-7.71,-0.85,-7.430839550164662
O=[N+]([O-])c1ccc(F)c(NCc2cscn2)c1,C40504625_decoy,PA2GA,Decoy,0,-8.62201,-7.92,-1.08,-8.421212590765021
C[C@H]1CCN(c2ccc([C@@H](C)O)cc2[N+](=O)[O-])C1,C40718812_decoy,PA2GA,Decoy,0,-7.34834,-6.98,-1.15,-7.943729471649075
COc1cc(OC)c(OC)c2c1C[C@H](C)/C2=N/O,C41308441_decoy,PA2GA,Decoy,0,-7.60527,-6.61,-0.83,-8.952432796034541
CC[C@@H](C)[C@@H](C)Nc1cc(C)nc2ncnn12,C42417190_decoy,PA2GA,Decoy,0,-7.1766,-6.97,-1.13,-6.9759664169636615
CCCCN1C(=O)N[C@](C)(c2ccc(C#N)cc2)C1=O,C42675141_decoy,PA2GA,Decoy,0,-7.0399,-7.27,-1.11,-6.411286721836775
C[C@@H](c1cccs1)N(C)C(=O)Nc1nncs1,C43130736_decoy,PA2GA,Decoy,0,-9.09125,-6.57,0.03,-7.057425320026352
C[C@H](C#N)CN(C)C(=O)NCc1ccc(C#N)cc1,C46047312_decoy,PA2GA,Decoy,0,-7.93835,-6.01,-1.26,-7.154710884177531
CCC[C@]1(C)NC(=O)N(Cc2ccc(C#N)cc2)C1=O,C47203111_decoy,PA2GA,Decoy,0,-7.25492,-7.08,-0.7,-6.707245956833191
O=C(NC12CC3CC(CC(C3)C1)C2)[C@H]1C[C@H]1[N+](=O)[O-],C47238530_decoy,PA2GA,Decoy,0,-7.51308,-8.11,-0.38,-15.803965628789047
CC[C@@H]1CCCC[C@@H]1Nc1ncnc2c1cnn2C,C47873497_decoy,PA2GA,Decoy,0,-7.77604,-7.1,-0.74,-7.639586438192168
CC[C@H]1CCCC[C@@H]1Nc1ncnc2c1cnn2C,C47873498_decoy,PA2GA,Decoy,0,-8.04707,-6.7,-2.61,-6.943236244587777
C/C(=N/Nc1nc(C)cc(C)n1)c1ccc(C#N)cc1,C48252393_decoy,PA2GA,Decoy,0,-7.80169,-7.37,-1.43,-7.439386596715818
COC(=O)c1sc2nc(SC)[nH]c(=O)c2c1C,C49068532_decoy,PA2GA,Decoy,0,-8.54677,-6.33,-0.4,-7.651210602069685
Cc1c(C(=O)OC(C)(C)C)sc2nc[nH]c(=O)c12,C49452832_decoy,PA2GA,Decoy,0,-8.86255,-6.92,-1.07,-8.829624428590417
O=[N+]([O-])c1cnccc1Sc1ccccc1O,C50047194_decoy,PA2GA,Decoy,0,-7.87996,-6.67,-1.39,-7.986566632938173
CN1C(=O)c2ccc(NC[C@@H]3CCC=CO3)cc2C1=O,C50267224_decoy,PA2GA,Decoy,0,-7.9857,-7.26,-1.22,-6.243726327272406
CCCNc1nc(-c2cnccn2)nc2c1CCCC2,C50852485_decoy,PA2GA,Decoy,0,-9.09615,-6.65,-0.99,-8.097102376161596
O=[N+]([O-])c1ccc(N2CCC[C@H](CCO)C2)c(F)c1,C51895231_decoy,PA2GA,Decoy,0,-7.45956,-6.94,-0.71,-7.403201085667551
O=[N+]([O-])c1ccc(F)cc1N1CCC[C@H](CCO)C1,C52121695_decoy,PA2GA,Decoy,0,-5.91854,-7.05,-0.96,-6.325143192937162
O=[N+]([O-])c1cccc(NCc2cncs2)c1,C54770870_decoy,PA2GA,Decoy,0,-7.14765,-5.66,-0.64,-5.807348690971784
Cc1ccc(NCc2cncs2)c([N+](=O)[O-])c1,C54770874_decoy,PA2GA,Decoy,0,-6.18194,-6.43,-1.21,-6.127082755679781
CC1(C)Oc2ccc(NCc3ccncn3)cc2O1,C54789019_decoy,PA2GA,Decoy,0,-7.55926,-7.31,-0.75,-7.139736224207081
Cc1nn(CC(C)C)c2[nH]c(-c3ccco3)nc12,C20774426_decoy,PA2GA,Decoy,0,-7.0346,-7.09,-0.7,-6.698528071795763
CCc1ccc([C@@H]2NC(=O)N(C[C@H](C)C#N)C2=O)cc1,C57844433_decoy,PA2GA,Decoy,0,-8.4939,-6.18,-0.58,-8.805080209324203
C[C@@H](Nc1cc([N+](=O)[O-])ccn1)c1ccsc1,C61364507_decoy,PA2GA,Decoy,0,-8.46786,-6.92,-3.23,-4.28411660499086
C[C@H](Nc1nnnn1-c1ccccc1)c1ccsc1,C61364758_decoy,PA2GA,Decoy,0,-9.69196,-5.64,-0.98,-6.305491923349451
CC(C)n1c(S[C@@H]2CCCC[C@@H]2C#N)n[nH]c1=O,C61595496_decoy,PA2GA,Decoy,0,-10.7121,-7.21,-1.23,-8.278229065564162
Cc1cccc(-n2nnc(CO)c2-c2ccco2)c1,C62243590_decoy,PA2GA,Decoy,0,-7.38162,-8.17,-0.42,-10.501884933139833
O=C(Nc1ccc(-c2cnco2)cc1)c1cscn1,C62659190_decoy,PA2GA,Decoy,0,-8.05204,-6.41,-1.8,-5.811597565048356
CC1(C)CCCN1c1ccc([N+](=O)[O-])cc1CO,C63067620_decoy,PA2GA,Decoy,0,-6.47889,-7.01,-1.0,-7.607939643083938
O=[N+]([O-])c1cnccc1NCc1ccc(Cl)s1,C66808306_decoy,PA2GA,Decoy,0,-8.45517,-6.79,-1.11,-7.557886180836273
C/C=C(\C)C1(CCCC)C(=O)NC(=O)NC1=O,C01710338_decoy,PA2GA,Decoy,0,-5.48503,-6.25,-0.63,-5.165388807624841
Cc1nc(NCCCO)c2oc3ccccc3c2n1,C05180453_decoy,PA2GA,Decoy,0,-9.11606,-7.99,-1.16,-10.592107865424984
CNC(=O)C(=O)N/N=C/c1ccc(C(C)(C)C)cc1,C05383830_decoy,PA2GA,Decoy,0,-7.55326,-5.79,-1.89,-5.040800700860513
CC(C)NC(=O)CNC(=O)c1ccc2ncsc2c1,C09459972_decoy,PA2GA,Decoy,0,-8.85314,-5.32,-0.6,-5.69073916260731
Cc1ccc(NC(=S)NC2CC2)c([N+](=O)[O-])c1,C13330398_decoy,PA2GA,Decoy,0,-6.43186,-6.18,-0.83,-6.081597086881896
CN(C)c1nc(N)nc(CSC2CCCC2)n1,C24959481_decoy,PA2GA,Decoy,0,-10.5572,-6.7,-0.44,-10.176692776406275
N#Cc1ccc(CSc2nnc(N)n2C2CC2)cc1,C31452694_decoy,PA2GA,Decoy,0,-10.0238,-7.59,-1.3,-8.61654628059096
O=C(C[NH+]1CCC(C(=O)[O-])CC1)NC1CCCCC1,C32116027_decoy,PA2GA,Decoy,0,-8.18367,-7.11,-1.13,-6.688532029389889
C[C@H]1C[C@H]1c1ccc(/C=C/C(=O)Nc2cn[nH]c2)o1,C35247888_decoy,PA2GA,Decoy,0,-7.37721,-7.7,-1.17,-9.465986344201788
CNS(=O)(=O)c1ccccc1NC1CCOCC1,C36320040_decoy,PA2GA,Decoy,0,-7.45407,-6.9,-0.15,-7.442208846990315
CC(C)CCC(=O)c1ccc2c(c1)NC(=O)CC(=O)N2,C36942454_decoy,PA2GA,Decoy,0,-7.83709,-6.93,,99.0
Cn1nccc1CNc1cccc(-c2ccn[nH]2)c1,C37137368_decoy,PA2GA,Decoy,0,-8.07633,-7.57,-0.68,-7.195420762401363
COC(=O)c1occc1CNc1ccc(O)cc1,C37316878_decoy,PA2GA,Decoy,0,-8.25994,-5.49,-1.06,-6.350969026389979
C[C@H](Nc1cccc(-n2ccnc2)c1)c1cc[nH]n1,C37907293_decoy,PA2GA,Decoy,0,-7.66576,-7.23,-1.08,-7.557720949994065
C[C@H](Nc1ccc(-n2cccn2)cc1)c1cc[nH]n1,C37907481_decoy,PA2GA,Decoy,0,-7.20781,-4.64,-0.69,-4.315059533281324
CCCn1cc(N[C@@H](C)c2cc[nH]n2)ccc1=O,C37908427_decoy,PA2GA,Decoy,0,-6.83066,-6.82,-1.73,-6.736056874679391
Cc1nn(C(C)C)c(C)c1N[C@@H](C)c1cc[nH]n1,C37908541_decoy,PA2GA,Decoy,0,-7.60954,-6.63,-1.54,-6.884620710321307
O=C(NCc1ccco1)c1cc(-c2cccs2)[nH]n1,C36709886_decoy,PA2GA,Decoy,0,-10.6995,-6.9,-1.72,-7.619591874212982
COC(=O)NCCc1cc2c(C)cc(C)cc2[nH]c1=O,C41170891_decoy,PA2GA,Decoy,0,-7.07638,-7.92,-2.99,-7.657010144825453
C[C@H](O)c1cccc(NC(=O)N(C)C[C@@H](C)C#N)c1,C42462374_decoy,PA2GA,Decoy,0,-9.15619,-6.56,-1.9,-8.620504848100099
O=C1Nc2cc(N(CCO)C3CCCC3)ccc2C1=O,C42509038_decoy,PA2GA,Decoy,0,-7.89897,-5.78,-0.98,-6.180909608293635
CC(C)CNC(=O)Nc1nnc(CC(C)C)s1,C43374971_decoy,PA2GA,Decoy,0,-10.1276,-7.15,-2.88,-10.746518084899732
Nc1ccc(-c2nnnn2C(C2CC2)C2CC2)c(F)c1,C43575827_decoy,PA2GA,Decoy,0,-7.9859,-7.98,-2.18,-9.093182786353138
CCn1cc([C@@H](C)Nc2cccc3cn[nH]c23)cn1,C44497744_decoy,PA2GA,Decoy,0,-7.39134,-7.99,-0.51,-6.620264721922464
Cc1cccc(C2CC([NH2+][C@H](C)c3nn[n-]n3)C2)c1,C44925441_decoy,PA2GA,Decoy,0,-8.1156,-8.16,-0.95,-9.082435093828929
CC(C)N(C)c1ccc(NC(=O)c2cc[nH]n2)cc1F,C46225849_decoy,PA2GA,Decoy,0,-7.87111,-6.17,-1.53,-5.521530747043423
C[C@@H](NC(=O)NC[C@H]1CCCO1)c1ccc(C#N)cc1,C47594035_decoy,PA2GA,Decoy,0,-8.12105,-8.28,-0.48,-12.321430326637428
O=C(NCC1CC1)C1CCN(C(=O)NC2CC2)CC1,C48031877_decoy,PA2GA,Decoy,0,-7.3899,-6.65,-0.81,-6.36977706727825
C=CCNC(=O)N[C@@H](C)c1ccc2c(c1)OCCO2,C48389232_decoy,PA2GA,Decoy,0,-7.09309,-7.28,-0.97,-6.839880408414727
C[C@H](Cn1cccn1)Nc1cc2ccccc2c(=O)[nH]1,C49077399_decoy,PA2GA,Decoy,0,-7.48575,-5.81,-1.37,-5.384560162231051
O=C(NCCc1ccco1)NC[C@H]1CCCCO1,C49241281_decoy,PA2GA,Decoy,0,-8.19887,-6.6,-0.24,-8.400839344132672
CNc1ccc(C(=O)Nc2nc(C(C)C)cs2)cn1,C50777970_decoy,PA2GA,Decoy,0,-8.31486,-7.37,-0.81,-12.046745787044754
CCNc1ccc(C(=O)Nc2nc(C)c(C)s2)cn1,C50790344_decoy,PA2GA,Decoy,0,-8.75177,-6.3,-1.18,-6.40175499816379
O=C1Nc2ccccc2/C1=N/NCCc1ccccn1,C04689484_decoy,PA2GA,Decoy,0,-8.19513,-5.8,-0.42,-5.200607356830816
CCC[C@@H](C)NC(=O)[C@@H]1CCCN(C(=O)NC)C1,C51674340_decoy,PA2GA,Decoy,0,-7.72545,-6.4,-0.94,-10.46682999425909
COC[C@@H](C)Nc1ccc2c(c1)NC(=O)[C@@H](C)O2,C53173351_decoy,PA2GA,Decoy,0,-7.10536,-6.85,-1.58,-6.765598535175255
COC[C@@H](C)Nc1ccc(N2CCNC2=O)cc1,C53173838_decoy,PA2GA,Decoy,0,-7.44219,-6.72,-1.05,-7.133763823797263
CC(=O)c1cccc(NC(=O)NC[C@@H](C)C#N)c1,C54157625_decoy,PA2GA,Decoy,0,-8.19739,-7.5,-0.97,-11.333753805144548
O=C(NC[NH+]1CCC[C@H](C(=O)[O-])C1)C1CCCCC1,C58010049_decoy,PA2GA,Decoy,0,-8.34478,-5.24,-0.87,-6.015012195508013
C[C@H](Cc1ccco1)NC(=O)c1ccc2cn[nH]c2c1,C59184128_decoy,PA2GA,Decoy,0,-7.29162,-7.33,-1.0,-6.516928615335413
Cc1ccc([C@@H](C)[NH2+][C@@H](C)c2nnn[n-]2)c(C)c1,C44888675_decoy,PA2GA,Decoy,0,-8.40337,-7.34,-1.16,-11.008482780254788
Cc1ccc([C@@H](C)[NH2+][C@H](C)c2nnn[n-]2)cc1C,C44923441_decoy,PA2GA,Decoy,0,-7.52425,-7.28,-1.28,-10.38274088025565
CNc1nc(N/N=C\c2cccc(F)c2)ncc1F,C59639966_decoy,PA2GA,Decoy,0,-9.68601,-7.86,-1.44,-9.954589992828089
CC[NH2+][C@H](C)CC(=O)N1CCC(C(=O)[O-])CC1,C61273151_decoy,PA2GA,Decoy,0,-8.71695,-6.08,-2.06,-6.959668253140534
Cc1cccc(Nc2nc(C(=O)NC3CC3)cs2)n1,C62022563_decoy,PA2GA,Decoy,0,-10.2033,-6.42,-1.84,-6.461955154072565
N#Cc1cccc(NS(=O)(=O)NC2CCCC2)c1,C62159888_decoy,PA2GA,Decoy,0,-9.2355,-7.89,-0.22,-12.11603901606782
Cc1noc(C(C)C)c1C(=O)NCC1(O)CCCC1,C62440211_decoy,PA2GA,Decoy,0,-9.74201,-6.96,-0.93,-11.615591136444422
Cc1n[nH]c(-c2ccccc2NCc2ccoc2)n1,C63047110_decoy,PA2GA,Decoy,0,-7.51448,-6.67,-0.86,-6.601394272841536
N#Cc1c(F)cccc1NCCNc1ncccn1,C58405455_decoy,PA2GA,Decoy,0,-8.93464,-4.98,-1.44,-5.087639515449701
C[C@H](Cc1ccco1)NC(=O)c1c[nH]c2ncccc12,C64862002_decoy,PA2GA,Decoy,0,-7.14446,-7.26,-1.06,-6.84374180872118
CCCc1cc(C(=O)OC)c(NC(=O)c2ccc3c(c2)OCO3)s1,C01054760_decoy,PA2GA,Decoy,0,-9.67238,-7.28,-2.62,-9.071021662985215
C#CCOC(=O)/C(=C\c1ccc2c(c1)OCO2)NC(=O)c1ccccc1,C04819682_decoy,PA2GA,Decoy,0,-9.34296,-5.57,-1.8,-7.390690394768742
CC(C)C(=O)N[C@H](Oc1ccc([N+](=O)[O-])cc1)C(Cl)(Cl)Cl,C01232915_decoy,PA2GA,Decoy,0,-8.2895,-4.63,-1.97,-5.895757280953531
C[C@@H]1O[C@@H](O)C[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1,C05810313_decoy,PA2GA,Decoy,0,-5.6546,-8.73,-1.65,-7.731465401607016
O=[N+]([O-])c1ccccc1N1CCN(C(=S)NCc2ccccc2)CC1,C05930787_decoy,PA2GA,Decoy,0,-8.32502,-7.43,-1.74,-7.152163557256631
COc1ccc(/C=C(/C#N)C(=O)N/N=C/c2ccc(OC)cc2)cc1,C01560790_decoy,PA2GA,Decoy,0,-9.02397,-5.58,-1.59,-5.739972774366699
CCNc1nnc(SCc2nc(-c3ccc(F)cc3)no2)s1,C07247861_decoy,PA2GA,Decoy,0,-11.743,-6.35,-0.96,-6.9612047723013095
CCCn1nnnc1NCc1ccc(-c2cccc(Cl)c2C)o1,C07263432_decoy,PA2GA,Decoy,0,-8.73331,-6.8,-0.42,-7.946263079122806
Cc1cccc(NC(=O)[C@H](C)OC(=O)/C=C/c2ccc3c(c2)OCO3)c1,C07602137_decoy,PA2GA,Decoy,0,-8.70272,-7.56,-2.26,-7.428751074983017
CCOC(=O)Cc1csc(N/N=C2\CC(C)(C)Cc3occc32)n1,C08476868_decoy,PA2GA,Decoy,0,-12.4239,-5.6,-2.62,-6.4628420517537775
c1ccc(-c2nnc(CSc3nc(Cc4cccs4)n[nH]3)o2)cc1,C11601104_decoy,PA2GA,Decoy,0,-13.167,-8.02,-1.09,-9.749703362595046
c1cnn(CCNc2nncc(-c3ccc(C4CCCCC4)cc3)n2)c1,C12074296_decoy,PA2GA,Decoy,0,-10.3783,-8.0,-1.14,-7.895487662726781
COc1ccc(/C=N/Nc2ccc3ccccc3n2)c(OC)c1OC,C05637135_decoy,PA2GA,Decoy,0,-9.64782,-8.06,-2.57,-12.249762197915894
C[C@@H](Nc1ccc(C(=O)c2ccccc2)cc1[N+](=O)[O-])c1ccccn1,C08053897_decoy,PA2GA,Decoy,0,-8.4943,-7.84,-3.25,-7.513449877186278
CCc1ccc(-c2cn3c(C(=O)N[C@H](C)C(=O)OC)csc3n2)cc1,C12433968_decoy,PA2GA,Decoy,0,-9.82871,-8.13,-0.43,-8.804763252762275
CNc1nnc(SCc2cc(-c3ccc(OC)cc3)no2)s1,C14067266_decoy,PA2GA,Decoy,0,-11.5621,-7.31,-0.18,-9.683232681598184
CCC(CC)NC(=O)c1ccc2c(c1)C(=O)N(Cc1ccco1)C2=O,C14077267_decoy,PA2GA,Decoy,0,-7.7896,-8.37,-2.42,-11.29623766672526
CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N1CCC(C)CC1,C22623664_decoy,PA2GA,Decoy,0,-7.97504,-5.89,-1.77,-6.919932350497411
Cc1ccccc1NS(=O)(=O)c1ccc(C(=O)O[C@@H](C)C#N)cc1,C23417252_decoy,PA2GA,Decoy,0,-10.1402,-6.59,-2.13,-7.730125577473665
Cc1ccc(OC[C@H](O)Cn2nc(-c3ccc(F)cc3)oc2=O)c(C)c1,C24839730_decoy,PA2GA,Decoy,0,-9.41961,-7.75,-3.59,-7.62129995863418
COc1ccc([N+](=O)[O-])cc1C(=O)N[C@@H](C)c1ccc(SC)cc1,C27161802_decoy,PA2GA,Decoy,0,-7.97857,-7.17,-2.36,-7.525150250266362
Cc1ccc(NC(=O)[C@@H](Sc2nnnn2C2CC2)C(C)C)c(C)c1,C30744383_decoy,PA2GA,Decoy,0,-10.2633,-7.35,-1.26,-7.890146382417496
CCc1ccc(-c2n[nH]c(SCc3nnc(C(C)(C)C)o3)n2)cc1,C31843493_decoy,PA2GA,Decoy,0,-11.6169,-8.61,-2.49,-10.618579759944163
CC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(C)C,C35136632_decoy,PA2GA,Decoy,0,-7.97837,-5.68,-1.86,-5.738529803135367
COc1ccc(-c2nc(SC)nc(NC(C)C)c2C#N)cc1OC,C41306348_decoy,PA2GA,Decoy,0,-9.52094,-6.95,-0.83,-7.546078280409665
C[C@](C#N)(COc1c(Cl)cc([N+](=O)[O-])cc1Cl)NC1CC1,C50440655_decoy,PA2GA,Decoy,0,-8.58906,-5.48,-0.92,-6.20142539842856
Cc1ccc(-c2c[nH+]c(CC/C([O-])=C(\C#N)C(=O)c3ccco3)o2)cc1,C49197967_decoy,PA2GA,Decoy,0,-9.97175,-8.61,0.13,-13.948525306894672
COC(=O)c1ccccc1Sc1c(/C=N/O)c(C(F)(F)F)nn1C,C01387948_decoy,PA2GA,Decoy,0,-10.2436,-7.48,-2.16,-9.730503127287747
CCC[C@@H](C)NC(=O)[C@H]1CCCN(c2sc([N+](=O)[O-])cc2C)C1,C50933802_decoy,PA2GA,Decoy,0,-9.45203,-7.3,-0.99,-9.04361271117958
Cc1nnc(Nc2cccc(COC[C@H]3CCCCO3)c2)c(C#N)c1C,C52445736_decoy,PA2GA,Decoy,0,-9.19798,-7.82,-1.77,-7.524180576650638
CCSc1ccccc1NCC(=O)N1CCc2ccc([N+](=O)[O-])cc21,C55879732_decoy,PA2GA,Decoy,0,-9.38844,-7.58,-1.45,-9.583505620512195
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2ccc(Cl)s2)c1,C57341742_decoy,PA2GA,Decoy,0,-9.32473,-8.27,-1.08,-8.917059717473549
CC(C)N(C(=O)CNc1ccc(F)c([N+](=O)[O-])c1)c1ccccc1,C11160938_decoy,PA2GA,Decoy,0,-8.47788,-5.27,-1.42,-5.997800689057492
CC(C)(C)c1ccc(SCC(=O)Nc2ncc([N+](=O)[O-])s2)cc1,C59213007_decoy,PA2GA,Decoy,0,-11.2124,-7.66,-1.98,-11.84277407555934
CCOc1ccc(S(=O)(=O)/N=c2/[nH]c(C)cs2)cc1OCC,C61031911_decoy,PA2GA,Decoy,0,-8.33441,-6.27,-1.92,-6.687897482499366
O=C(CCc1nc(-c2cccs2)no1)NCc1cc2ccccc2o1,C57511729_decoy,PA2GA,Decoy,0,-11.0614,-7.5,-0.81,-7.801875489273248
COC(=O)c1ccc(NCc2nnc(-c3ccc(Cl)cc3)o2)cc1,C62650147_decoy,PA2GA,Decoy,0,-9.58661,-5.38,-0.88,-6.014837082995633
CCOc1ccc(Oc2ccc(N[C@H]3CC(=O)N(C)C3=O)cc2)cc1,C12632592_decoy,PA2GA,Decoy,0,-9.28239,-6.94,-2.24,-6.909286132780123
C=CCN(Cc1cccc(C#N)c1)C(=O)NCc1ccc2c(c1)OCO2,C63320490_decoy,PA2GA,Decoy,0,-8.84608,-8.73,-0.81,-9.609576671795084
C#CCN(Cc1ccco1)C(=O)Nc1cc2c(cc1OCC)C[C@H](C)O2,C63390179_decoy,PA2GA,Decoy,0,-8.1801,-7.54,-0.76,-10.210674946347032
CCCc1nc(CSc2nc(-c3ccc(Cl)cc3)n[nH]2)no1,C63416094_decoy,PA2GA,Decoy,0,-12.031,-7.48,-1.61,-9.43992228294874
Cc1cc(C)c(CNS(=O)(=O)Cc2ccc([N+](=O)[O-])cc2)c(C)c1,C63764605_decoy,PA2GA,Decoy,0,-8.80286,-7.92,-1.68,-8.487168985923997
CCN(C[C@H]1COc2ccccc2O1)C(=O)N[C@H](C)Cc1ccco1,C65418652_decoy,PA2GA,Decoy,0,-8.80195,-7.1,-0.89,-7.595244287507531
C[C@@H](COc1ccc(F)cc1)NC(=O)c1cc([N+](=O)[O-])ccc1Cl,C65730992_decoy,PA2GA,Decoy,0,-9.14451,-7.61,-2.28,-8.762036838908132
C[C@@H](COc1ccccc1F)Nc1ccc2nnc(C(F)(F)F)n2n1,C66410990_decoy,PA2GA,Decoy,0,-9.70105,-8.71,-1.09,-8.503125191537166
C=C(C)COc1cccc(NC(=O)c2cc(-c3cccnc3)on2)c1,C66463171_decoy,PA2GA,Decoy,0,-8.76951,-8.05,-0.82,-8.845579975033115
COC(=O)N[C@H](C(=O)[C@H](C#N)c1nc2cc(F)ccc2s1)C(C)C,C66730743_decoy,PA2GA,Decoy,0,-11.4299,-7.72,-1.83,-8.832226647874943
Cc1cc(C(=O)Nc2ccccc2S[C@H](C)CC#N)ccc1[N+](=O)[O-],C66802387_decoy,PA2GA,Decoy,0,-10.827,-7.7,-1.35,-8.679473200072543
CCOc1cccc(/C=N/c2ccc(N(C)C(=O)OC)cc2)c1O,C66887799_decoy,PA2GA,Decoy,0,-8.77013,-8.12,-1.7,-7.070356695217031
Cc1ccc([N+](=O)[O-])cc1C(=O)N[C@H](C)c1ccc(OC(F)F)cc1,C67035156_decoy,PA2GA,Decoy,0,-8.69687,-8.33,-1.03,-12.570742408504657
COC(=O)N/N=C/c1ccc(OC(F)F)cc1OC(F)F,C03319226_decoy,PA2GA,Decoy,0,-8.04534,-6.52,-1.86,-7.254283999595673
C=CCOc1ccc(/C=N/Nc2oc(C)nc2C#N)cc1,C06861411_decoy,PA2GA,Decoy,0,-7.67222,-7.28,-3.53,-6.443894329898784
CCCCCCN1C(=O)NC(=O)/C(=C\C=C\c2ccco2)C1=O,C02292977_decoy,PA2GA,Decoy,0,-8.94294,-6.16,-1.15,-6.486452104439056
CCCCn1nnnc1CSc1nc2cc(C)ccc2[nH]1,C05184881_decoy,PA2GA,Decoy,0,-10.4602,-7.47,-1.06,-9.819208785684442
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)NCCC(C)C,C14399053_decoy,PA2GA,Decoy,0,-7.85053,-7.02,-2.41,-7.440623806459644
COC(=O)c1ccc(C(=O)O[C@H](C)C(=O)NC(C)(C)C)cc1,C16825691_decoy,PA2GA,Decoy,0,-8.03467,-7.75,-2.92,-7.606166564868114
CCCCc1noc(CSc2nnc(NCC)s2)n1,C22763900_decoy,PA2GA,Decoy,0,-11.0189,-6.88,-0.61,-8.70600516453457
C=C(C)CN(CC)C(=O)[C@H](C)Sc1nnc(O)n1CCC,C23763244_decoy,PA2GA,Decoy,0,-9.92025,-7.09,-1.93,-11.998216153048894
C=CCNc1nnc(SCc2nc(CCC)no2)s1,C29397553_decoy,PA2GA,Decoy,0,-11.373,-6.86,-0.58,-8.846842911030102
CC[C@H](C)N(CC(=O)Nc1ccon1)C(=O)CC(C)(C)C,C35338515_decoy,PA2GA,Decoy,0,-6.67899,-5.97,-1.14,-5.653408295736524
CC(C)CN(CC(=O)Nc1ccon1)C(=O)CC(C)(C)C,C35338620_decoy,PA2GA,Decoy,0,-8.13488,-7.27,-1.5,-7.919829046734002
CC[C@H](C)N=C(NC(=O)c1ccc2c(c1)OCO2)OC(C)C,C35417172_decoy,PA2GA,Decoy,0,-7.90758,-7.65,-1.99,-8.976036778114082
CCCOC(=O)c1ccc(NC(=O)c2cnsn2)cc1,C36815883_decoy,PA2GA,Decoy,0,-7.52014,-6.22,-1.52,-5.80219680205882
COC(C)(C)C[C@H](C)Nc1cc(-n2cnnn2)ccc1C,C37008503_decoy,PA2GA,Decoy,0,-7.19929,-7.72,-0.69,-7.653814404705947
COC(C)(C)C[C@@H](C)Nc1cc(-n2cnnn2)ccc1C,C37008504_decoy,PA2GA,Decoy,0,-7.86193,-7.75,-1.77,-7.922755194687256
CC(C)CCC[C@H](C)NC(=O)c1ccc(-n2cnnn2)cc1,C20427048_decoy,PA2GA,Decoy,0,-6.94656,-7.06,-2.26,-8.441008152103633
CC(C)C[NH+](CC(=O)c1cc([N+](=O)[O-])c[n-]1)CC(C)C,C42034350_decoy,PA2GA,Decoy,0,-7.63902,-6.47,-2.3,-7.162388052796146
CCc1ccc(N[C@H](C)c2cnn(CC)c2)cc1[N+](=O)[O-],C44497805_decoy,PA2GA,Decoy,0,-6.76171,-6.54,-0.84,-6.1603983244993055
COC(=O)c1cccc(OC(=O)c2cccc(NC(C)=O)c2)c1,C44672556_decoy,PA2GA,Decoy,0,-7.76711,-7.63,-1.56,-7.55339225308248
CC(C)Oc1ccc(CNc2ccc([N+](=O)[O-])cn2)cc1,C45726889_decoy,PA2GA,Decoy,0,-7.63053,-6.91,-1.54,-7.922808147296554
CCCc1noc([C@H](C)Nc2ccc3oc(C4CC4)nc3c2)n1,C46820008_decoy,PA2GA,Decoy,0,-10.5064,-7.93,,99.0
C[C@H](NC(=O)OC(C)(C)C)C(=O)N(C)Cc1ccoc1,C48820279_decoy,PA2GA,Decoy,0,-7.09753,-6.96,-0.77,-7.756721403945552
O=[N+]([O-])c1ccc(NCCn2cccn2)c(C(F)(F)F)c1,C49077630_decoy,PA2GA,Decoy,0,-8.87737,-6.65,-2.06,-7.143415649833891
COC(=O)c1ccc(NCC(=O)c2ccc3c(c2)OCO3)cc1,C49926236_decoy,PA2GA,Decoy,0,-7.66199,-6.76,-1.15,-5.76551393786762
CCCNc1ccc([N+](=O)[O-])cc1C(=O)N(C)CC(C)C,C50747783_decoy,PA2GA,Decoy,0,-6.23996,-6.87,-1.41,-6.011971463806404
CCC[C@@H](C)N(C)C(=O)c1cc(Cl)c(NC)c([N+](=O)[O-])c1,C50756150_decoy,PA2GA,Decoy,0,-6.9071,-6.78,-3.64,-4.560154217743496
CCCNc1ccc(CN2CCOC[C@@H]2C)cc1[N+](=O)[O-],C50813621_decoy,PA2GA,Decoy,0,-7.57707,-5.66,-2.91,-6.178105900491739
C[C@@H](CNc1nnnn1-c1ccccc1)N(C)c1ccccc1,C52182738_decoy,PA2GA,Decoy,0,-8.06262,-9.3,-1.07,-9.740825102151517
CCCNc1cc(C(=O)N(C)[C@@H](C)CC)ccc1[N+](=O)[O-],C54414601_decoy,PA2GA,Decoy,0,-5.98414,-7.19,-1.84,-7.405296976524696
CC(C)CCN(C)C(=O)NCCc1nnc2n1CCCCC2,C56828176_decoy,PA2GA,Decoy,0,-8.2052,-7.65,-0.81,-8.994471949653967
COc1cc(OC)c2cc(C(=O)OC(C)C)[nH]c2c1OC,C46444500_decoy,PA2GA,Decoy,0,-6.93957,-5.28,-1.67,-5.247377861373816
CCCN(C(=O)c1cc([N+](=O)[O-])ccc1NCC)C(C)C,C50748252_decoy,PA2GA,Decoy,0,-7.13839,-6.55,-2.27,-7.333197090336525
COc1nc(N[C@@H](C)Cc2ccsc2)nc(OC)n1,C61451643_decoy,PA2GA,Decoy,0,-9.72982,-6.13,-5.01,-10.887755205041932
CC(C)N(CCCO)c1nc(Cl)nc(N2CCCC2)n1,C61539939_decoy,PA2GA,Decoy,0,-9.41079,-7.2,-0.59,-9.17238134259724
CCC[C@](C)(Nc1nccn(CC(C)C)c1=O)C(=O)OC,C61771041_decoy,PA2GA,Decoy,0,-8.48027,-7.07,-1.28,-9.044936816703473
CCN(CC)c1nc(Cl)nc(NCc2ccc(C)nc2)n1,C62053297_decoy,PA2GA,Decoy,0,-9.0608,-7.79,-1.88,-8.112109560241445
CC[NH+](CC)c1ccc(-n2nnc(C=O)c2-c2ccco2)cc1,C62218769_decoy,PA2GA,Decoy,0,-6.6885,-4.84,-1.42,-5.49610796263499
CCCOc1nc(Cl)nc(NCCc2nccs2)n1,C63138517_decoy,PA2GA,Decoy,0,-12.0185,-7.09,-1.56,-11.334483357077072
CCOC(=O)C1=C(C)[C@@H](S(=O)(=O)NC(C)(C)CC)C(C)=N1,C64491247_decoy,PA2GA,Decoy,0,-8.57678,-7.66,-1.23,-12.08237782176498
COCCCNc1ccc(-c2nc(-c3ccccc3)no2)cn1,C64676765_decoy,PA2GA,Decoy,0,-8.80029,-5.96,-0.91,-6.006355889691591
Cc1ccc(OC(=O)[C@@H](C)NC(=O)OC(C)(C)C)cn1,C64701214_decoy,PA2GA,Decoy,0,-7.6983,-6.32,-2.29,-6.535544229169782
CCNc1ccc(C(=O)N(C)C(C2CC2)C2CC2)cc1[N+](=O)[O-],C64974900_decoy,PA2GA,Decoy,0,-7.45386,-5.97,-0.86,-7.15674675317116
COc1ccc(-c2nc(CC(C)C)n[nH]2)c(OC)c1OC,C65384203_decoy,PA2GA,Decoy,0,-8.00393,-7.19,-1.14,-7.5021318805822
N#Cc1cccc(OCCSc2nnc(-c3ccc[nH]3)o2)c1,C53611993_decoy,PA2GA,Decoy,0,-10.4767,-8.02,-0.63,-14.415445137081337
C=CCOC(=O)/C(C#N)=C\c1c[nH]nc1-c1cc2ccccc2o1,C66406561_decoy,PA2GA,Decoy,0,-8.33921,-5.87,-3.86,-6.069801174775167
O=[N+]([O-])c1cnccc1NCCCc1nc2c(s1)CCCC2,C66812458_decoy,PA2GA,Decoy,0,-8.97355,-7.57,-1.01,-7.715138291771274
C[NH+](CC/N=C/c1cc([N+](=O)[O-])ccc1[O-])Cc1ccccc1,C66887665_decoy,PA2GA,Decoy,0,-8.3941,-7.06,-3.23,-7.949601797709151
Cc1cc([C@@H](C)NC(=O)CCc2nc(C(C)(C)C)no2)c(C)o1,C67078132_decoy,PA2GA,Decoy,0,-8.09406,-7.73,-1.33,-7.6255623931415135
CC(C)Cc1nc(COc2cccc(-c3cn[nH]c3)c2)no1,C67099478_decoy,PA2GA,Decoy,0,-7.95339,-5.86,-1.91,-5.936516442411835
C[C@@H](OC(=O)CCNC(=O)OC(C)(C)C)c1cccc(C#N)c1,C67640488_decoy,PA2GA,Decoy,0,-8.6886,-7.1,-2.59,-7.50100879161043
O=C(CSc1nnnn1C1CCCC1)NC1CCCC1,C01238085_decoy,PA2GA,Decoy,0,-10.6892,-7.26,-3.26,-8.553441414659803
O=[N+]([O-])c1ccc(N2CCCC2)cc1NC[C@H]1CCCO1,C04187743_decoy,PA2GA,Decoy,0,-7.8599,-8.16,-0.67,-12.172570464373846
CCC[C@@H](C)NS(=O)(=O)c1ccc([N+](=O)[O-])cc1,C00442492_decoy,PA2GA,Decoy,0,-6.80382,-6.78,-1.44,-7.355206644768606
CCCCn1c(SC(C)C)nc2c1c(=O)[nH]c(=O)n2C,C01904318_decoy,PA2GA,Decoy,0,-8.84696,-6.29,-0.18,-7.636034506918114
COCCSc1nc(O)c2cnn(C(C)(C)C)c2n1,C09520940_decoy,PA2GA,Decoy,0,-8.51191,-4.97,-0.98,-5.9187156381773365
C[C@H](NC(=O)/C=C/c1ccccc1[N+](=O)[O-])c1ccccn1,C09753235_decoy,PA2GA,Decoy,0,-6.72717,-7.29,-1.91,-7.086219154640891
O=[N+]([O-])c1ccc(OCC2=CC=C(CO)SS2)nc1,C05933596_decoy,PA2GA,Decoy,0,-10.2992,-7.26,-1.84,-7.352416397963573
Cc1c(C(=O)NCCc2ccco2)cccc1[N+](=O)[O-],C17910129_decoy,PA2GA,Decoy,0,-6.45518,-7.47,-2.16,-6.922225160800647
CC[C@@H](C)NC(=O)CN1C(=O)[C@H](C)Oc2ccc(C=O)cc21,C19758330_decoy,PA2GA,Decoy,0,-8.14031,-7.74,-0.58,-14.731604481752608
CN(C)c1nc(NCCc2cccs2)c2cnn(C)c2n1,C21637459_decoy,PA2GA,Decoy,0,-10.6491,-7.07,-2.09,-10.444817839808604
Cc1ccc(S(=O)(=O)NC[C@H]2C[C@@H]2C)cc1[N+](=O)[O-],C32473907_decoy,PA2GA,Decoy,0,-5.33993,-6.97,-2.77,-6.481950722281626
Cc1cc([N+](=O)[O-])ccc1S(=O)(=O)NC[C@H]1C[C@H]1C,C32474414_decoy,PA2GA,Decoy,0,-7.35908,-7.44,,99.0
O=[N+]([O-])c1ccc(CNC[C@H]2COc3ccccc3O2)cc1,C36062136_decoy,PA2GA,Decoy,0,-6.25102,-6.65,-1.61,-5.175115732213612
CCCNS(=O)(=O)c1ccc(Cl)cc1[N+](=O)[O-],C37023140_decoy,PA2GA,Decoy,0,-6.48389,-6.06,,99.0
COc1ncccc1N[C@@H](C)c1ccc([N+](=O)[O-])cc1,C37070366_decoy,PA2GA,Decoy,0,-6.66182,-7.14,-1.73,-7.552887991992262
C=CCNc1nc(-c2ccccc2)nc(-n2ccnc2)n1,C06056404_decoy,PA2GA,Decoy,0,-6.48463,-5.01,-0.68,-4.6900957367721245
C[C@@H](Cc1ccco1)NC(=O)c1cc([N+](=O)[O-])ccc1F,C38103589_decoy,PA2GA,Decoy,0,-7.38969,-7.31,-1.12,-7.642054327207012
C=CCNC(=O)c1ccc(-c2ccc([N+](=O)[O-])cc2)o1,C02951149_decoy,PA2GA,Decoy,0,-6.2174,-5.66,-1.67,-4.657425548497876
CCC[C@H](C)NC(=O)c1cc([N+](=O)[O-])ccc1N(C)C,C36703726_decoy,PA2GA,Decoy,0,-6.57845,-7.1,-1.67,-7.942181906363882
COC(=N[C@H](C)C(C)C)NC(=O)c1ccc2c(c1)OCO2,C04560194_decoy,PA2GA,Decoy,0,-7.57427,-7.41,-2.1,-7.224632951752857
O=Cc1cc([N+](=O)[O-])ccc1Oc1ccc(CO)cc1,C40432028_decoy,PA2GA,Decoy,0,-6.49464,-8.92,-1.3,-7.832267337937793
CC(C)N(CCO)c1ccc([N+](=O)[O-])c2ncccc12,C40452599_decoy,PA2GA,Decoy,0,-6.7198,-7.38,-1.41,-8.405846147219485
Cc1ccc2nnc(C#N)c(NCCCn3cccn3)c2c1,C41530723_decoy,PA2GA,Decoy,0,-8.2383,-6.51,-0.46,-7.0404936220930985
CC(C)n1nc(NCC2CCCC2)c(=O)n(C(C)C)c1=O,C41668305_decoy,PA2GA,Decoy,0,-7.97691,-7.64,-1.87,-8.30348534328354
CCCn1cc(Cl)cc1C(=O)NCCCN=[N+]=[N-],C42013158_decoy,PA2GA,Decoy,0,-7.55553,-6.07,-1.12,-7.827308496881344
O=[N+]([O-])c1c(NCCc2ccncc2)ccc2scnc12,C48262661_decoy,PA2GA,Decoy,0,-7.94245,-7.61,-1.15,-6.723656852230759
Cc1cc([N+](=O)[O-])c(S(=O)(=O)N[C@H](C)C2CC2)cc1C,C48840425_decoy,PA2GA,Decoy,0,-8.43129,-6.28,-3.16,-7.519816351197408
CCc1nc(CSc2nc(-c3cccs3)n[nH]2)no1,C48872545_decoy,PA2GA,Decoy,0,-12.0511,-7.46,-0.86,-8.481108123102894
C[C@@H](O)c1ccc(N(C)C[C@@H]2CCCCO2)c([N+](=O)[O-])c1,C48948611_decoy,PA2GA,Decoy,0,-7.04223,-6.41,-2.57,-5.706716787479826
COC[C@H](C)CNC(=O)c1cc(C)cc([N+](=O)[O-])c1,C49198727_decoy,PA2GA,Decoy,0,-6.43414,-6.14,-1.61,-6.335722772673996
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)N[C@@H](C)C1CC1,C49358323_decoy,PA2GA,Decoy,0,-7.20747,-7.21,-1.63,-7.776747928193729
CCNc1ccc([N+](=O)[O-])c(C(=O)N(C)CC(C)C)c1,C50747816_decoy,PA2GA,Decoy,0,-7.17634,-6.87,-3.44,-7.817058297608444
CCNc1ccc([N+](=O)[O-])cc1CN1C[C@H](C)OC[C@@H]1C,C50813675_decoy,PA2GA,Decoy,0,-7.0175,-6.51,-0.94,-7.551053466484554
CNc1ccc([N+](=O)[O-])cc1CSc1nccn1C,C50833860_decoy,PA2GA,Decoy,0,-8.13609,-4.93,-1.31,-5.793159641366603
CNc1cc(C)nc(-c2cc(OC)c(OC)c(OC)c2)n1,C50864481_decoy,PA2GA,Decoy,0,-7.91256,-6.89,-0.98,-6.793561951227328
CCCC1CC[NH+](CC(=O)c2cc([N+](=O)[O-])c[n-]2)CC1,C50894259_decoy,PA2GA,Decoy,0,-8.26596,-7.29,-0.78,-8.166080388184158
CCN(CC)c1ccc(Nc2nccc(OC)n2)cn1,C52314677_decoy,PA2GA,Decoy,0,-8.12957,-6.25,-0.61,-6.560873631595787
c1ccc(NCCCn2nnc(-c3ccco3)n2)cc1,C53539223_decoy,PA2GA,Decoy,0,-7.98334,-5.14,-0.0,-5.611856258385443
CC[C@@H](Nc1cccc(-n2cnnn2)c1)c1ccco1,C54084565_decoy,PA2GA,Decoy,0,-7.52727,-6.89,-1.15,-7.601395447998317
C=CCn1ncc(-c2nc3c(C)nn(CC(C)C)c3[nH]2)c1C,C20537931_decoy,PA2GA,Decoy,0,-8.79598,-7.75,-2.29,-9.070676699333111
CNc1ccc(C(=O)N(C)CCC(C)C)cc1[N+](=O)[O-],C55464231_decoy,PA2GA,Decoy,0,-6.40762,-5.79,-2.74,-7.018267499382225
Cc1cc(C(=O)O[C@@H](C)C(=O)c2c[nH]c3ccccc23)on1,C07226682_decoy,PA2GA,Decoy,0,-7.66865,-7.89,-2.02,-7.797048934701241
C=CCn1cc(/C=N/Nc2nc3ccccc3o2)cn1,C59829981_decoy,PA2GA,Decoy,0,-7.28438,-5.35,-1.03,-4.513382706579618
CCNc1ccc(C(=O)N(CC)[C@H](C)CC)cc1[N+](=O)[O-],C50748047_decoy,PA2GA,Decoy,0,-6.3126,-6.34,-2.4,-6.524810053389219
CC[C@@H](C)CN(C)C(=O)c1ccc(NC)c([N+](=O)[O-])c1,C50748658_decoy,PA2GA,Decoy,0,-6.1125,-6.61,-2.51,-7.174312730360578
CCOc1nc(Cl)nc(NCc2csc(C)n2)n1,C61516881_decoy,PA2GA,Decoy,0,-10.9151,-6.36,-1.91,-8.422309750355346
CC(C)n1cc(NCc2cc([N+](=O)[O-])ccc2Cl)cn1,C61682864_decoy,PA2GA,Decoy,0,-7.47522,-7.4,-1.73,-7.530426395613761
Cc1nnnn1-c1cccc(N[C@@H](C)Cc2ccco2)c1,C62771405_decoy,PA2GA,Decoy,0,-7.28827,-6.12,-1.03,-4.3430513700638045
CC(C)(C)c1ccc([C@H](C#N)NC(=O)[C@H]2C[C@@H]2[N+](=O)[O-])cc1,C66397083_decoy,PA2GA,Decoy,0,-8.21609,-7.97,-1.45,-9.99455109421016
Cc1ncsc1CN(C)Cc1cc([N+](=O)[O-])ccc1O,C66562721_decoy,PA2GA,Decoy,0,-7.46912,-7.03,-2.22,-6.993846228768936
CCCCCC(=O)Nc1ccc(N2CCCC2)c(C(=O)N[C@@H](C)c2ccccc2)c1,C04417395_decoy,PA2GA,Decoy,0,-10.0419,-7.99,-2.47,-7.72469546853506
CCCCCCOC(=O)C1=C(C)NC(=O)N[C@@H]1c1ccc(Br)cc1,C04744631_decoy,PA2GA,Decoy,0,-8.78991,-6.64,-0.75,-8.382332855712322
CCCCCC(=O)Nc1ccc(N2CCCCC2)c(C(=O)N[C@@H](C)c2ccccc2)c1,C04630433_decoy,PA2GA,Decoy,0,-9.59869,-7.78,-2.86,-7.852054392554677
CCCCC(O)(CCCC)C(=O)NN(C(=O)c1csc(C)c1)c1ccccc1,C02207742_decoy,PA2GA,Decoy,0,-9.13317,-7.46,-2.75,-9.859573898185229
CCCCc1ccc(C(=O)Nc2ccc(N3CCCC3)c(C(=O)NCC(C)C)c2)cc1,C04780834_decoy,PA2GA,Decoy,0,-10.5926,-7.73,-5.02,-8.335963839975037
CCCCc1nc2sc3c(NCCCO)nc(SC)nc3c2c2c1CCC2,C02429440_decoy,PA2GA,Decoy,0,-11.9891,-8.03,-0.91,-18.86514583294258
Cc1cccc(Nc2nnc(SCC(=O)NC[C@H](C)c3ccccc3)s2)c1,C06057591_decoy,PA2GA,Decoy,0,-13.3413,-9.02,-1.89,-12.959891167602413
C[C@H](OC(=O)CCCc1c[nH]c2ccccc12)C(=O)Nc1ccc(Cl)cc1Cl,C06375922_decoy,PA2GA,Decoy,0,-9.88692,-8.61,-0.75,-8.158521679869194
CCCCC[C@@H](C)NC(=O)CCN1C(=O)c2ccccc2[C@@H]1c1c[nH]c2ccccc12,C09355608_decoy,PA2GA,Decoy,0,-8.67712,-7.7,-2.17,-7.821530740302614
CCCOC(=O)c1ccc(NCC(=O)Nc2ccc(Br)cc2C)cc1,C11042741_decoy,PA2GA,Decoy,0,-8.57629,-6.7,-3.43,-6.442727241035594
CCCCc1ccc(NS(=O)(=O)c2cccc(C(=O)NC3CCCC3)c2)cc1,C13098193_decoy,PA2GA,Decoy,0,-10.8213,-9.52,-1.17,-11.525026266862946
O[C@H](COc1ccc2ccccc2c1)CSc1nnc(Nc2ccccc2)s1,C15240334_decoy,PA2GA,Decoy,0,-10.7424,-8.91,-0.7,-7.825895940038311
CCCCCCCn1c(=O)c(C(=O)Nc2cccc(F)c2)c(O)c2ccccc21,C02291798_decoy,PA2GA,Decoy,0,-9.91957,-9.13,-1.59,-17.887601260239094
CCCCC(=O)Nc1ccc2nc(SCC(=O)Nc3ccccc3C)sc2c1,C20894881_decoy,PA2GA,Decoy,0,-11.3985,-8.3,-1.5,-9.854476922991568
O=C(Oc1ccc(/C=N/NC(=S)Nc2cccc(Cl)c2)cc1)c1cccs1,C00731386_decoy,PA2GA,Decoy,0,-11.2436,-6.16,-1.19,-6.125344798489513
CC(/C=N\NC(=O)CCC(=O)Nc1cccc(Cl)c1)=C/c1ccc(C(C)C)cc1,C28632601_decoy,PA2GA,Decoy,0,-10.3353,-7.84,-0.3,-10.886525038029262
CCCCC[C@@H](C)NC(=O)c1ccc(S(=O)(=O)Nc2ccccc2C)cc1,C29431771_decoy,PA2GA,Decoy,0,-9.06692,-6.97,-2.63,-6.7973845875211145
CCOC(=O)N[C@@H](CNC(=O)c1ccc(F)cc1Br)CC(C)C,C31703313_decoy,PA2GA,Decoy,0,-10.3276,-7.33,-1.65,-11.4795210811624
CCCN(CC)c1ccc(/C=N\NC(=S)Nc2ccc(OC)c(Cl)c2)cc1,C33096953_decoy,PA2GA,Decoy,0,-10.9316,-6.65,-1.74,-8.403824016117927
CC[C@@H](C)N(CCC(=O)N[C@@H](C)c1ccccc1)C(=O)Nc1ccc(C(C)C)cc1,C34944402_decoy,PA2GA,Decoy,0,-9.07516,-8.51,-2.12,-8.392009812765334
C[C@@H](NC(=O)CNc1cccc(OC[C@H]2CCCO2)c1)C12CC3CC(CC(C3)C1)C2,C36394187_decoy,PA2GA,Decoy,0,-9.9356,-8.44,-1.11,-11.085010973508655
C/C=C\[C@@H](C(=O)NCCCC)N(C(=O)c1ccccc1O)c1cccc(Cl)c1,C36483306_decoy,PA2GA,Decoy,0,-9.28728,-6.58,-3.2,-6.761265002299593
C/C=C\[C@H](C(=O)NCCCC)N(C(=O)c1ccccc1O)c1ccccc1Cl,C36543584_decoy,PA2GA,Decoy,0,-9.91294,-7.61,-2.24,-9.482273440251891
CCCCNC(=O)[C@H](c1ccccc1O)N(C(=O)CCCC)c1ccccc1Cl,C36550716_decoy,PA2GA,Decoy,0,-9.15444,-7.98,-2.86,-10.324801058768536
CC(C)(C)NC(=O)[C@H](c1ccccc1O)N(C(=O)CCC1CCCCC1)C(C)(C)C,C36581652_decoy,PA2GA,Decoy,0,-8.28783,-5.78,-2.28,-5.3488992742525445
CCCC[C@@H](CC)C(=O)N([C@@H](C(=O)NC(C)(C)C)c1cccc(O)c1)C(C)(C)C,C36582400_decoy,PA2GA,Decoy,0,-7.86258,-6.17,-1.81,-7.956758274188539
CCC/C=C/[C@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccc1O)C(C)(C)C,C36584156_decoy,PA2GA,Decoy,0,-7.24421,-8.22,,99.0
CCC(CC)[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccccc1O)C(C)(C)C,C36584183_decoy,PA2GA,Decoy,0,-7.55463,-8.06,-0.84,-9.192817240992682
CCCCC[C@@H](C(=O)NC1CCCCC1)N(C(=O)c1ccc(O)cc1)C(C)(C)C,C36586525_decoy,PA2GA,Decoy,0,-8.17461,-7.75,-4.38,-8.516352570753721
C=C(C)C(=O)N([C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(O)cc1)C(C)(C)C,C36591889_decoy,PA2GA,Decoy,0,-7.92845,-6.28,-1.58,-7.35304279112522
CC(C)CCNC(=O)CSc1nnc(Nc2ccc(SC(F)F)cc2)s1,C36773121_decoy,PA2GA,Decoy,0,-12.3072,-6.91,-1.56,-9.912741982738856
C[C@@H](OC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1)C(=O)NC1CC1,C05448100_decoy,PA2GA,Decoy,0,-9.56348,-8.6,-3.67,-8.534361047699635
O=C(NCCC1=CCCCC1)c1csc(Nc2ccc(OC(F)F)cc2)n1,C38511789_decoy,PA2GA,Decoy,0,-10.9471,-8.35,-1.03,-8.187307491730907
CC(C)Cc1ccc([C@@H](C)C(=O)O/N=C(\N)c2ccc(OC(F)(F)F)cc2)cc1,C04390538_decoy,PA2GA,Decoy,0,-10.4746,-9.39,-0.71,-9.422704260806318
CCCCCCSC1=C(C#N)[C@H](c2ccoc2)C(C(=O)Nc2ccccc2)=C(C)N1,C39777194_decoy,PA2GA,Decoy,0,-9.68151,-6.43,-1.11,-7.598072598262904
Cc1ccc(NC(=S)N/N=C/c2ccc(OC(=O)/C=C/c3ccccc3)cc2)cc1,C39868053_decoy,PA2GA,Decoy,0,-10.4491,-8.36,-4.28,-8.034906945949876
CCCCC[C@H](C)NC(=O)CSc1nc(-c2ccccc2Br)n[nH]1,C07695768_decoy,PA2GA,Decoy,0,-11.8977,-7.33,-1.29,-12.436050637837402
Cc1ccc([C@H](NC(=O)CSc2nnc(Nc3ccccc3)s2)C2CC2)cc1,C45839584_decoy,PA2GA,Decoy,0,-12.8057,-9.02,-1.39,-12.79094936582249
C[C@H](CC(=O)N[C@@H](C)c1ccc(OC(F)(F)F)cc1)NC(=O)c1ccccc1,C46645052_decoy,PA2GA,Decoy,0,-8.90993,-7.55,-2.21,-10.267381585358455
CCC(=O)Nc1ccc([C@H](C)NC(=O)N(Cc2ccc(CC)cc2)C2CC2)cc1,C46711398_decoy,PA2GA,Decoy,0,-9.16328,-8.64,-2.82,-10.92996200516761
CCCCc1ccc([C@H](NC(=O)C2CCN(C(=O)NC(C)C)CC2)C(C)C)cc1,C46912468_decoy,PA2GA,Decoy,0,-9.47082,-7.82,-1.76,-7.416759928554843
Cc1ccc(Nc2nnc(SCC(=O)NCCC3=CCCCC3)s2)cc1,C03244207_decoy,PA2GA,Decoy,0,-13.2874,-8.62,-0.75,-11.766600606743662
CCC/C=C/[C@H](C(=O)NCCCC)N(C(=O)c1ccc(O)cc1)c1ccccc1,C36609866_decoy,PA2GA,Decoy,0,-9.33177,-7.48,-3.85,-9.166116639512804
Cc1ccc(NC(=O)[C@H](C)Nc2cccc(COCc3ccco3)c2)c(Cl)c1,C56188576_decoy,PA2GA,Decoy,0,-8.79272,-8.98,-1.79,-7.932012778360444
CC(C)CCN(C)C(=O)N[C@@H](C)c1cccc(NC(=O)Cc2ccccc2F)c1,C56867113_decoy,PA2GA,Decoy,0,-9.49289,-8.67,-3.67,-8.24559812975698
CC[NH+](CC)c1ccc(CN(C[C@H]2CCCO2)C(=O)Nc2ccc(Cl)cc2)cc1,C06311514_decoy,PA2GA,Decoy,0,-9.03131,-8.29,-1.08,-9.073357009823267
CCCc1ccc(C(=O)N[C@@H](C)CC(=O)Nc2cccc(N3CCCC3)c2)cc1,C60360125_decoy,PA2GA,Decoy,0,-10.5075,-8.18,-3.87,-11.039250824075152
[H]/N=C(\COc1ccc(C(C)(C)C)cc1)NC(=O)c1ccc(OC(F)(F)F)cc1,C20230210_decoy,PA2GA,Decoy,0,-9.22343,-8.53,-1.59,-9.714198109726633
CCS(=O)(=O)NCCCNC(=O)/C=C/c1ccc(SC(F)(F)F)cc1,C65323732_decoy,PA2GA,Decoy,0,-9.45702,-6.53,-3.26,-7.330240872306607
Cc1cc(OCC(=O)NNC(=O)[C@H](C)c2ccc(CC(C)C)cc2)cc(C)c1Cl,C66199210_decoy,PA2GA,Decoy,0,-10.0392,-7.55,-1.67,-7.053452472042108
O=C([O-])CCCC/C=C(\c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1,C03827905_decoy,PA2GA,Decoy,0,-12.4493,-9.96,-3.62,-13.977657667914212
CCCCCCn1nc(C)c(C(c2ccc(N(C)C)cc2)c2c(C)nn(CCCCCC)c2O)c1O,C09144808_decoy,PA2GA,Decoy,0,-12.968,-7.3,-3.26,-10.807519569836176
CCCCCCOP(=O)(OCCCCCC)C(NC(=O)OCC)(C(F)(F)F)C(F)(F)F,C06004712_decoy,PA2GA,Decoy,0,-8.72103,-6.85,-3.58,-11.939123525423996
CCCC[C@H](CC)C(=O)N(CCCOC)CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1,C16437088_decoy,PA2GA,Decoy,0,-9.75439,-7.45,-4.29,-9.25932814625564
CCCCNC(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1,C16649502_decoy,PA2GA,Decoy,0,-10.5674,-6.79,-3.55,-9.067476899078184
O=C(CNC(=O)[C@H](CSCc1ccccc1)NC(=O)OCc1ccccc1)OCc1ccccc1,C16997609_decoy,PA2GA,Decoy,0,-12.0955,-7.83,-3.72,-10.858299244165863
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(CC)cc1,C25181344_decoy,PA2GA,Decoy,0,-10.1356,-7.59,-4.32,-9.462976360223342
C=CCOC(=O)C1=C(C)NC(C)=C(C(=O)OCC=C)C1c1ccc(OC(=O)COc2ccccc2F)cc1,C26964000_decoy,PA2GA,Decoy,0,-9.86514,-7.31,-4.14,-8.536187308781335
O=C([O-])CCCC/C=C(/c1cccnc1)c1cccc(C2=N[C@@H](C(=O)NCCCCC3CCCCC3)CO2)c1,C29560509_decoy,PA2GA,Decoy,0,-13.4649,-9.33,-3.0,-12.189603842034304
O=C([O-])CCCC/C=C(\c1cccnc1)c1ccccc1C1=N[C@@H](C(=O)NCCCCC2CCCCC2)CO1,C29563068_decoy,PA2GA,Decoy,0,-13.5106,-8.4,-3.6,-10.237361953700333
O=C([O-])CCCC/C=C(/c1cccnc1)c1ccccc1-c1nc(C(=O)NCCCCC2CCCCC2)co1,C29565772_decoy,PA2GA,Decoy,0,-10.7962,-7.1,,99.0
O=C([O-])CCCC/C=C(/c1ccc(-c2nc(C(=O)NCCCCC3CCCCC3)co2)cc1)c1cccnc1,C29566975_decoy,PA2GA,Decoy,0,-12.9657,-9.19,-3.85,-10.489205455841851
CCN(C[C@@H](O)COc1ccc(OC[C@H](O)CN(CC)c2cccc(C)c2)cc1)c1cccc(C)c1,C35083488_decoy,PA2GA,Decoy,0,-10.0309,-8.47,-2.71,-11.389211983021692
CCCC[C@H](CC)C(=O)N(CC(=O)N(Cc1cccn1Cc1ccccc1C)[C@H](C)CC)C(C)C,C35395307_decoy,PA2GA,Decoy,0,-10.0313,-6.86,-2.76,-11.617338531618437
CCCCC(=O)N(CC(=O)N(CCCC)Cc1cccn1Cc1ccc(Br)cc1)CC(C)C,C35753311_decoy,PA2GA,Decoy,0,-9.7652,-7.47,-3.48,-14.26900066802137
CCCCN(CC(=O)N(CCCC)Cc1cccn1Cc1ccc(Br)cc1)C(=O)CC(C)C,C35753345_decoy,PA2GA,Decoy,0,-10.245,-6.55,-2.48,-10.10035658739416
CCCCC[C@H](C(=O)NCCCC)N(Cc1ccco1)C(=O)/C(=C/c1ccccc1)c1ccccc1,C36493940_decoy,PA2GA,Decoy,0,-9.4558,-7.13,-3.1,-8.483863505636847
CCCCC/C=C\C(=O)N(Cc1ccco1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)[C@@H](C)c1ccccc1,C36495949_decoy,PA2GA,Decoy,0,-8.76363,-7.53,-2.97,-8.57039595664092
CCCCC/C=C\C(=O)N(CCCCCC)[C@H](C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1,C36510181_decoy,PA2GA,Decoy,0,-9.10794,-5.83,-2.52,-7.56223363488547
CCCCC/C=C/C(=O)N(CCCCCC)[C@@H](C(=O)NC1CCCCC1)c1ccc2c(c1)OCO2,C36510308_decoy,PA2GA,Decoy,0,-9.74823,-7.8,-1.9,-10.10238337361444
CCCCCCN(C(=O)[C@@H](CC)CCCC)[C@@H](C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1,C36510669_decoy,PA2GA,Decoy,0,-9.86802,-7.61,-5.38,-9.76745980547476
CCCCCCN(C(=O)[C@H](CC)CCCC)[C@H](C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1,C36510670_decoy,PA2GA,Decoy,0,-9.21516,-7.25,-3.54,-11.543402866017276
CCC/C=C/[C@@H](C(=O)NC(C)(C)C)N(CCCCCC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,C36511548_decoy,PA2GA,Decoy,0,-8.24078,-5.4,-1.69,-7.476882417467205
CCCCCCN(C(=O)Cc1ccc2c(c1)OCO2)[C@H](C(=O)NCCCC)[C@H](C)c1ccccc1,C36516128_decoy,PA2GA,Decoy,0,-7.86927,-7.23,-2.73,-7.707485352069474
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCCCCC)C(=O)C=C(C)C,C36516779_decoy,PA2GA,Decoy,0,-10.3495,-7.72,-4.2,-11.130719346620664
CCCCCCN(C(=O)CNC(=O)c1ccccc1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccco1,C36518938_decoy,PA2GA,Decoy,0,-9.49146,-7.75,-2.92,-9.436327838064075
CCCCC/C=C/C(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NCCCC)c1ccc(C(F)(F)F)cc1,C36557409_decoy,PA2GA,Decoy,0,-11.3017,-6.12,-4.74,-8.500485159900995
CCCC[C@@H](CC)C(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1,C36558190_decoy,PA2GA,Decoy,0,-9.11173,-7.57,-5.44,-9.708609949453118
CCCCC/C=C/C(=O)N(CCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C(CC)CC,C36563549_decoy,PA2GA,Decoy,0,-10.3037,-7.43,-3.8,-8.80417685017975
CCCCC[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCC)C(=O)C[C@@H](C)c1ccccc1,C36572652_decoy,PA2GA,Decoy,0,-10.1803,-7.92,-3.94,-9.683116293720776
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)/C=C\CCCCC)C(C)(C)C,C36582086_decoy,PA2GA,Decoy,0,-9.25519,-7.19,-3.38,-7.578242090168843
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)/C=C\CCCCC)C(C)(C)C,C36582088_decoy,PA2GA,Decoy,0,-9.78234,-7.82,-2.84,-8.372728312273647
CCC/C=C/[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccc(C)o1)C(=O)CCc1ccc(OC)cc1,C36598052_decoy,PA2GA,Decoy,0,-8.97318,-8.27,-4.36,-10.537335409879711
CCCCC[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccc(C)o1)C(=O)C[C@H](C)c1ccccc1,C36598733_decoy,PA2GA,Decoy,0,-9.87053,-7.92,-2.31,-10.709323356044978
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@@H]1/C=C/c1ccccc1,C40018818_decoy,PA2GA,Decoy,0,-13.5276,-6.94,-3.04,-12.158047867403734
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1ccc(C(C)C)cc1,C40018902_decoy,PA2GA,Decoy,0,-11.0596,-6.99,-2.96,-10.40497349987119
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1c1ccc(N(C)C)cc1,C40019099_decoy,PA2GA,Decoy,0,-8.49785,-7.83,-2.84,-8.864368268877731
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(F)cc2)[C@@H]1/C=C/c1ccccc1,C40019644_decoy,PA2GA,Decoy,0,-10.5757,-6.09,-2.72,-8.042668886367997
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(O)cc1,C40019748_decoy,PA2GA,Decoy,0,-10.5965,-7.27,-3.1,-7.996309655592233
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(Cl)cc1,C40020061_decoy,PA2GA,Decoy,0,-9.70661,-6.75,-4.55,-8.486632134075641
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OC)c2)[C@@H]1c1c(F)cccc1Cl,C40020188_decoy,PA2GA,Decoy,0,-11.4776,-7.47,-4.28,-10.156311286203806
C=CCOC(=O)C1=C(C)Nc2nc(SCCCC)nn2[C@H]1c1ccc(OCCCC)c(OC)c1,C41000725_decoy,PA2GA,Decoy,0,-10.5522,-6.81,-2.4,-13.662658426245068
CCCCSc1nc2n(n1)[C@H](c1ccc(OCCC)c(OCC)c1)C(C(=O)OCCC)=C(C)N2,C41000773_decoy,PA2GA,Decoy,0,-11.6912,-6.72,-1.32,-10.99869435230116
CC(C)(C)Oc1ccc(C[C@@H](NC(=O)[C@@H](Cc2ccccc2)NC(=O)OCc2ccccc2)C(=O)C=O)cc1,C44681780_decoy,PA2GA,Decoy,0,-10.5987,-9.21,-2.21,-11.887965816160213
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NCCCCCCCCCCCCNC(=O)[C@@H]1CCCC[C@@H]1C(=O)[O-],C48533254_decoy,PA2GA,Decoy,0,-13.4907,-7.32,-4.14,-10.260114353341825
CCOC(=O)/C(=N\Nc1ccc(OC)cc1)C(=O)CSP(=S)(OC(C)C)OC(C)C,C15636962_decoy,PA2GA,Decoy,0,-9.92441,-7.17,-4.35,-8.134036557503881
C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccc(OCC)cc2)cc(OC)c1OCc1cccc(C)c1,C58895285_decoy,PA2GA,Decoy,0,-10.8436,-9.34,-3.91,-12.880007608085313
CCOc1ccc(CCNC(=S)N(Cc2ccc(OC)cc2)Cc2cccc(F)c2)cc1OCC,C59074520_decoy,PA2GA,Decoy,0,-8.94117,-7.56,-4.71,-8.566575721323085
CCOc1ccc(CCNC(=S)N(Cc2ccc(OC)cc2)Cc2ccccc2C)cc1OCC,C59074532_decoy,PA2GA,Decoy,0,-9.85867,-7.02,-2.73,-7.37681341852241
CCCCCCN(CCCCCC)CN1C(=O)/C(=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c2ccccc21,C59377587_decoy,PA2GA,Decoy,0,-10.522,-7.9,-2.98,-9.000134774827156
Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2,C03875150_decoy,PA2GA,Decoy,0,-11.5811,-8.12,-3.58,-13.288571277042395
Cc1c(C)c2c(c(C)c1OC(=O)c1cccnc1)CC[C@@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2,C03875151_decoy,PA2GA,Decoy,0,-11.7521,-8.15,-3.83,-8.627200166747151
COC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,C05706985_decoy,PA2GA,Decoy,0,-9.97591,-8.71,-1.98,-8.90579063319248
CCCC(CCC)=NNC(=O)[C@@H](C)Sc1nnc(S[C@H](C)C(=O)NN=C(CCC)CCC)s1,C09034301_decoy,PA2GA,Decoy,0,-13.961,-6.95,-2.83,-11.012302395732654
Cc1ccc(-c2nnc(CSCCCCCCCCSCc3nnc(-c4ccc(C)cc4)o3)o2)cc1,C12462088_decoy,PA2GA,Decoy,0,-12.866,-7.12,-2.34,-9.807519055240492
COc1cc(/C=N/Nc2nncn2/N=C/c2ccc(OCCC(C)C)c(OC)c2)ccc1OCCC(C)C,C16575177_decoy,PA2GA,Decoy,0,-11.1691,-7.73,-3.41,-8.466242578174546
COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)C[C@@H](C)CC(C)(C)C,C16648917_decoy,PA2GA,Decoy,0,-11.1099,-7.8,-2.99,-10.619511207707651
CCCCCCC(=C/c1ccccc1)/C=N/N1CCN(/N=C/C(=C/c2ccccc2)CCCCCC)CC1,C17422671_decoy,PA2GA,Decoy,0,-12.5917,-8.2,-3.49,-11.338652218532948
CCCOCCOC(=O)C1=C(C)NC(C)=C(C(=O)OCCOCCC)C1c1cccc([N+](=O)[O-])c1,C26891857_decoy,PA2GA,Decoy,0,-9.09358,-6.79,-2.43,-9.333889661776702
C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)C[C@@H](C)CC(C)(C)C,C33473029_decoy,PA2GA,Decoy,0,-11.3812,-7.59,-3.34,-9.75718121419579
CCCCCCc1ccc(C(=O)N(CCCOC)CC(=O)N(Cc2ccccc2)Cc2cccs2)cc1,C33587869_decoy,PA2GA,Decoy,0,-10.5504,-7.4,-1.95,-11.342232257265737
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2CC[NH+](CC)CC)ccc1OCCC(C)C,C33777203_decoy,PA2GA,Decoy,0,-10.2462,-7.23,-3.96,-8.597292342806579
CCCC[C@@H](CC)C(=O)N(CCC)CCC(=O)Nc1nnc(-c2cc(OC)c(OC)c(OC)c2)s1,C35154176_decoy,PA2GA,Decoy,0,-12.5863,-7.89,-3.63,-9.836176697809565
CCOc1cc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCC[NH+](CC)CC)ccc1OCCC(C)C,C35273026_decoy,PA2GA,Decoy,0,-9.77772,-7.51,-4.91,-9.291870643465453
CCc1ccc(OCc2nnc(SCC(=O)O[C@H]3C[C@H](C)CC[C@@H]3C(C)C)n2[C@H](C)CCCC(C)C)cc1,C35526428_decoy,PA2GA,Decoy,0,-12.3637,-8.28,-3.79,-9.50249707786555
CCCCCc1ccc(C(=O)N(CCCOC)CC(=O)N(Cc2ccccc2)Cc2cccn2C)cc1,C35745103_decoy,PA2GA,Decoy,0,-10.2849,-7.79,-4.72,-9.66005752715474
CCCCCC(=O)N(CC)CC(=O)N(CCCCC)Cc1cccn1Cc1cccc(C(F)(F)F)c1,C35745308_decoy,PA2GA,Decoy,0,-10.8093,-7.66,-4.83,-11.82300294960765
CCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(C)C,C35795727_decoy,PA2GA,Decoy,0,-11.2332,-6.39,-4.0,-9.622372509798645
CCCC[C@H](CC)C(=O)N(CCOC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1,C35797672_decoy,PA2GA,Decoy,0,-11.0424,-7.11,,99.0
CCCCC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)[C@H](CC)CCCC)c1cccc(Cl)c1,C36482454_decoy,PA2GA,Decoy,0,-10.2431,-7.16,-2.34,-10.366410722418788
CCCCNC(=O)[C@H](C(c1ccccc1)c1ccccc1)N(Cc1ccco1)C(=O)[C@H](CC)CCCC,C36496349_decoy,PA2GA,Decoy,0,-10.4433,-6.87,-2.66,-9.752068820935747
CCCCCCN(C(=O)/C(=C\c1ccccc1)c1ccccc1)[C@H](CCCCC)C(=O)NC1CCCCC1,C36507873_decoy,PA2GA,Decoy,0,-9.01208,-6.87,-4.0,-9.80737431293206
CCCCC/C=C/C(=O)N(CCCCCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C1CCCCC1,C36509738_decoy,PA2GA,Decoy,0,-9.97605,-7.57,-3.87,-8.861428981722819
CCCCC/C=C\C(=O)N(CCCCCC)[C@@H](C(=O)NC1CCCCC1)C(c1ccccc1)c1ccccc1,C36509853_decoy,PA2GA,Decoy,0,-9.4155,-7.51,-3.71,-9.557985452112632
CCCCC/C=C\C(=O)N(CCCCCC)[C@@H](C(=O)NC1CCCCC1)c1ccc(C(F)(F)F)cc1,C36509926_decoy,PA2GA,Decoy,0,-10.6465,-7.5,-2.76,-10.382827305972786
CCCCC/C=C/C(=O)N(CCCCCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccco1,C36510130_decoy,PA2GA,Decoy,0,-9.67833,-7.49,-3.9,-8.326497251012173
CCCCCCN(C(=O)[C@@H](CC)CCCC)[C@@H](C(=O)NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl,C36510585_decoy,PA2GA,Decoy,0,-8.75667,-7.49,-2.95,-8.75283516260381
CCCCCCN(C(=O)[C@@H](CC)c1ccccc1)[C@@H](C(=O)NCCCC)c1cc([N+](=O)[O-])ccc1Cl,C36511045_decoy,PA2GA,Decoy,0,-9.31693,-7.82,,99.0
CCCCCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C(=O)NCCCC)[C@@H](C)c1ccccc1,C36511544_decoy,PA2GA,Decoy,0,-7.92274,-6.66,-1.36,-9.455959579508216
CCCCCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C(=O)NCCCC)[C@H](C)c1ccccc1,C36511546_decoy,PA2GA,Decoy,0,-8.34088,-6.68,-3.1,-8.859713184667992
C/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCCCCC)C(=O)CCc1ccc(OC)cc1,C36515255_decoy,PA2GA,Decoy,0,-10.9821,-8.44,-2.75,-11.203118124855417
CCCCCCN(C(=O)CCCCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C1CCCCC1,C36518086_decoy,PA2GA,Decoy,0,-9.78305,-6.75,-4.33,-7.42406337897626
CCCCC/C=C/C(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(OC)c(OC)c1,C36557598_decoy,PA2GA,Decoy,0,-11.2718,-7.97,-5.12,-9.900792294032382
CCCCC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(CCC)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1,C36560103_decoy,PA2GA,Decoy,0,-10.0186,-7.84,-2.69,-9.024764094310246
CCCCC/C=C/C(=O)N(CCC)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C(c1ccccc1)c1ccccc1,C36563155_decoy,PA2GA,Decoy,0,-9.17277,-7.43,-3.59,-8.701398778931816
CCCCC/C=C\C(=O)N(CCC)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(OC)c(OC)c1,C36563666_decoy,PA2GA,Decoy,0,-9.82436,-7.54,-2.75,-9.578412800933467
CCCCC/C=C\C(=O)N([C@H](CCCCC)C(=O)NCS(=O)(=O)c1ccc(C)cc1)C(C)(C)C,C36582252_decoy,PA2GA,Decoy,0,-8.94815,-6.71,-4.13,-6.979609675714647
CCOc1ccc(/C=N/NC(=O)CCCCCCC(=O)N/N=C/c2ccc(OCC)c(OC)c2)cc1OC,C04527655_decoy,PA2GA,Decoy,0,-9.63035,-6.28,-2.23,-6.967666504817494
C=CCOc1ccccc1/C=N/NC(=O)CCCCCCCC(=O)N/N=C/c1ccccc1OCC=C,C04527891_decoy,PA2GA,Decoy,0,-10.0873,-7.42,-3.51,-10.442696978077782
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@@H]1c1ccc(N(CC)CC)cc1,C40018792_decoy,PA2GA,Decoy,0,-10.7746,-6.38,-2.75,-9.820909402519332
C=CCOc1cccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2CCC[NH+](CCCC)CCCC)c1,C40019086_decoy,PA2GA,Decoy,0,-10.9154,-6.97,-2.17,-10.307593991039289
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(CC)CC)cc1,C40019168_decoy,PA2GA,Decoy,0,-10.1051,-6.93,-4.15,-8.848029570636127
C=CCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2CCC[NH+](CCCC)CCCC)c1,C40019803_decoy,PA2GA,Decoy,0,-12.2279,-7.21,-4.4,-9.99105846116534
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1sccc1C,C40020283_decoy,PA2GA,Decoy,0,-12.3251,-7.22,-4.51,-9.54400568001987
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](CCCC)CCCC)[C@H]2c2ccc(C)cc2)c1,C40020363_decoy,PA2GA,Decoy,0,-9.72395,-7.35,-2.84,-7.860123146734452
CCCCC[C@@H]1C(C(=O)OCC[NH+](C)Cc2ccccc2)=C(C)N=C(C)/C1=C(\[O-])OCCCc1cccnc1,C26659647_decoy,PA2GA,Decoy,0,-10.5974,-7.93,-2.67,-8.242808068118126
CCCCOC(=S)SSC(=S)NCCNC(=S)SSC(=S)OCCCC,C04692279_decoy,PA2GA,Decoy,0,-14.6423,-5.72,-3.53,-11.128315415387544
C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)cc(OCC)c1OCc1ccc(F)cc1,C58895363_decoy,PA2GA,Decoy,0,-10.6895,-9.19,-3.32,-12.640443810423063
CCOc1ccc(CCNC(=S)N(Cc2ccccc2)Cc2ccc([NH+](CC)CC)cc2)cc1OCC,C59008736_decoy,PA2GA,Decoy,0,-10.1027,-7.56,-3.64,-8.856361048892552
CCOc1ccc(CCNC(=S)N(Cc2ccc([NH+](CC)CC)cc2)C[C@H]2CCCO2)cc1OCC,C59074658_decoy,PA2GA,Decoy,0,-10.4998,-7.44,-1.48,-9.131810122833707
COC(=O)[C@H]1CCCN1C(=O)[C@H](CCCCNC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,C05706988_decoy,PA2GA,Decoy,0,-11.5665,-8.57,-4.68,-10.734462665516702
COCCOc1ccccc1NC(=S)SCCSC(=S)Nc1ccccc1OCCOC,C08648011_decoy,PA2GA,Decoy,0,-11.727,-6.51,-4.29,-11.530750337270728
CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(OC(=O)c3ccco3)cc2)cc1,C08922124_decoy,PA2GA,Decoy,0,-9.1389,-8.84,-4.29,-10.293555722804172
CCCOc1ccc(OCCOC(=O)c2cccnc2SCCOc2ccc(OCCC)cc2)cc1,C13148794_decoy,PA2GA,Decoy,0,-12.1982,-7.08,-2.85,-8.606823424779146
CCCC[C@@H](CC)C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OCC)cc1)C1CC1,C16648619_decoy,PA2GA,Decoy,0,-9.80545,-6.6,-3.86,-8.11069543706428
CCOc1ccc(CCNC(=S)NNC(=O)c2ccc(COc3ccc(CC)cc3)o2)cc1OCC,C20613819_decoy,PA2GA,Decoy,0,-11.3967,-8.1,-2.75,-9.056493513349546
CCOc1ccc(CCNC(=O)c2cccnc2NCCc2ccc(OCC)c(OCC)c2)cc1OCC,C22072004_decoy,PA2GA,Decoy,0,-9.2582,-8.64,-2.13,-11.768247795540097
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccccc2)[C@H]1c1ccc(OC)c(OC)c1,C25181021_decoy,PA2GA,Decoy,0,-9.72037,-5.46,-4.18,-7.254566037243578
CCc1c(C)[nH]c(=O)c(NC(=O)CCCCCCCCCNC(=O)OC(C)(C)C)c1Cc1cc(C)cc(C)c1,C29563877_decoy,PA2GA,Decoy,0,-10.9863,-6.62,-3.49,-8.641621918111529
CCOc1cc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2CC[NH+](CC)CC)ccc1OCCC(C)C,C33777202_decoy,PA2GA,Decoy,0,-9.76906,-7.2,-1.89,-9.25076364771028
CCOc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2CCC[NH+](CC)CC)ccc1OCCC(C)C,C34918048_decoy,PA2GA,Decoy,0,-10.3534,-6.38,-3.64,-8.55221333466568
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(OCC=C)c(OC)c2)c(C)c1,C34918990_decoy,PA2GA,Decoy,0,-8.81863,-7.54,-4.4,-7.927216308804014
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(OCC=C)c(OC)c2)cc1C,C34919126_decoy,PA2GA,Decoy,0,-9.54082,-7.49,-3.4,-9.052896376467334
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OCC=C)c(OC)c2)cc1C,C34919128_decoy,PA2GA,Decoy,0,-9.86574,-5.6,-2.85,-7.449036027914099
COc1cccc(CCN[C@@H](c2ccc([N+](=O)[O-])cc2)[C@@H](C[NH2+]CCc2cccc(OC)c2)C(=O)[O-])c1,C35190248_decoy,PA2GA,Decoy,0,-8.03168,-8.6,-3.74,-8.851848143344387
CCCC[C@H](CC)C(=O)N(CCCC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1,C35394569_decoy,PA2GA,Decoy,0,-11.6445,-6.74,-2.9,-9.434147132447384
CCCCCCc1ccc(C(=O)Nc2ccc(N(CCCC)Cc3ccco3)c(C(=O)NCCC)c2)cc1,C35417642_decoy,PA2GA,Decoy,0,-11.3247,-6.89,-2.35,-7.7234107614192915
CCCCOc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1OCC,C35444855_decoy,PA2GA,Decoy,0,-9.90296,-6.77,-4.02,-8.091190893275993
CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)C[C@@H](C)CC(C)(C)C,C35797791_decoy,PA2GA,Decoy,0,-10.6932,-6.91,-3.87,-9.482679856311186
CCCCC[C@H](C(=O)NCCCC)N(Cc1ccco1)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1,C36494086_decoy,PA2GA,Decoy,0,-9.66829,-6.89,-2.6,-9.03385637493922
CCCCC/C=C/C(=O)N(CCCCCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccccc1C,C36509954_decoy,PA2GA,Decoy,0,-9.4732,-6.61,-4.09,-8.084347858367707
CCCCC/C=C/C(=O)N(CCCCCC)[C@@H](C(=O)NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl,C36510100_decoy,PA2GA,Decoy,0,-9.37803,-7.81,-3.16,-9.20214029011277
CCCCC/C=C/C(=O)N(CCCCCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccco1,C36510132_decoy,PA2GA,Decoy,0,-10.0139,-6.27,-3.53,-7.512840999340613
CCCCC/C=C/C(=O)N(CCCCCC)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(N(C)C)cc1,C36510276_decoy,PA2GA,Decoy,0,-9.97123,-7.15,-4.63,-9.15299896092192
CCCCCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C(=O)NCCCC)[C@@H](C)c1ccccc1,C36511545_decoy,PA2GA,Decoy,0,-8.5925,-7.91,-2.07,-16.46229246837389
CCCCCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C(CC)CC,C36511567_decoy,PA2GA,Decoy,0,-7.91356,-5.99,-2.59,-8.164548997455297
CCCCCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](CCCCC)C(=O)NC1CCCCC1,C36511597_decoy,PA2GA,Decoy,0,-8.92856,-6.88,-2.63,-10.00448587514365
CCCCCCN(C(=O)CCc1ccc(OC)cc1)[C@H](C(=O)NCCCC)c1cc([N+](=O)[O-])ccc1Cl,C36515214_decoy,PA2GA,Decoy,0,-9.26576,-7.23,-3.71,-9.000035625034181
CCCCCCN(C(=O)C[C@@H](C)c1ccccc1)[C@@H](C(=O)NCCCC)c1cc([N+](=O)[O-])ccc1Cl,C36515833_decoy,PA2GA,Decoy,0,-8.84698,-7.12,-2.66,-8.71204449352327
CCCCCCN(C(=O)CCCCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(N(C)C)cc1,C36518608_decoy,PA2GA,Decoy,0,-10.6837,-7.35,-3.84,-9.960391472937385
C=CCOC(=O)C1=C(NCCc2ccc(OC)c(OC)c2)C[C@@](C)(O)[C@@H](C(=O)OCC=C)[C@@H]1c1ccccc1,C36553465_decoy,PA2GA,Decoy,0,-10.8842,-7.01,-2.43,-9.16822790913244
CCCCC[C@H](C(=O)NCCCC)N(Cc1ccc(C)o1)C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1,C36555523_decoy,PA2GA,Decoy,0,-9.47346,-6.98,-4.42,-9.11487591095111
CCCCC/C=C\C(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(OC)c(OC)c1,C36557597_decoy,PA2GA,Decoy,0,-9.74553,-7.7,-5.18,-9.997204604757773
CCCCC/C=C/C(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(OC)c(OC)c1,C36557600_decoy,PA2GA,Decoy,0,-10.531,-8.01,-1.7,-11.002136930800711
CCCCCN(C(=O)CCC(=O)OCc1ccc(C(C)(C)C)cc1)c1c(N)n(CCCC)c(=O)[nH]c1=O,C15934733_decoy,PA2GA,Decoy,0,-9.17941,-8.16,-2.37,-7.818501152932234
COc1ccc(/C=N/NC(=O)CCCCCCCCC(=O)N/N=C/c2ccc(OC)c(OC)c2)cc1OC,C17024752_decoy,PA2GA,Decoy,0,-9.99704,-6.86,-3.32,-8.181912019980789
O=C(CCCCCCCCCCC(=O)N/N=C\c1ccc2c(c1)CCC2)N/N=C\c1ccc2c(c1)CCC2,C33378797_decoy,PA2GA,Decoy,0,-11.1143,-8.68,-1.5,-9.34048357034232
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@H]1c1cccc(OC)c1OC,C40018793_decoy,PA2GA,Decoy,0,-9.89999,-6.73,-3.15,-9.176172692838591
C=CCOc1ccccc1[C@H]1C(C(=O)c2cccs2)=C([O-])C(=O)N1CCC[NH+](CCCC)CCCC,C40018806_decoy,PA2GA,Decoy,0,-9.84555,-7.07,-2.99,-8.838580430889472
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc([N+](=O)[O-])cc1,C40020069_decoy,PA2GA,Decoy,0,-9.17102,-6.28,-4.38,-7.951744693619429
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(C(C)C)cc1,C40020136_decoy,PA2GA,Decoy,0,-9.50854,-7.91,-3.28,-8.56420167698051
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccccc1OCC,C40020270_decoy,PA2GA,Decoy,0,-10.2608,-7.3,-3.05,-8.654488352495218
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](CCCC)CCCC)[C@H]2c2ccc(CC)cc2)c1,C40020369_decoy,PA2GA,Decoy,0,-11.7895,-6.95,-3.46,-8.79351602883914
O=C(CCC/C=C\C[C@@H]1[C@@H](CC[C@@H](O)CCc2ccccc2)[C@H](O)C[C@@H]1O)Oc1ccc(-c2cc(=S)ss2)cc1,C43203257_decoy,PA2GA,Decoy,0,-13.891,-8.66,-3.21,-9.578623863276444
CCCCC[NH2+][C@@H](c1ccc(Cl)cc1)[C@@H](CN(CCCCC)S(=O)(=O)c1ccc(F)cc1)C(=O)[O-],C43209084_decoy,PA2GA,Decoy,0,-10.006,-6.59,-2.82,-10.00709847940644
CCCCC[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)[C@H](CC)CCCC)c1ccccc1,C36606912_decoy,PA2GA,Decoy,0,-10.1243,-7.86,-3.31,-11.469835726593695
CCOc1ccc(CCNC(=S)N(Cc2ccco2)Cc2ccc(OC)c(OC)c2OC)cc1OCC,C59074593_decoy,PA2GA,Decoy,0,-12.2436,-7.19,-2.17,-8.006029911493906
C=CCCCCCCCCCCCCCCN1C(=O)c2ccc(-c3nc4ccccc4c(=O)o3)cc2C1=O,C59487165_decoy,PA2GA,Decoy,0,-11.2324,-8.64,-2.18,-12.80178175108474
O=C(NCCCCCCNC(=O)c1ccc(OC[C@@H]2CCCO2)cc1)c1ccc(OC[C@H]2CCCO2)cc1,C18031214_decoy,PA2GA,Decoy,0,-11.1659,-8.98,-1.82,-10.45986761655017
COCCCOc1cc(C[C@@H](C[C@H](NC(=O)OCc2ccccc2)[C@@H](O)CCCO)C(C)C)ccc1OC,C65734246_decoy,PA2GA,Decoy,0,-12.0545,-7.8,-3.41,-13.03614508597478
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2,C05179475_decoy,PA2GA,Decoy,0,-12.8494,-8.11,-3.64,-9.248323973820709
Cc1c(C)c2c(c(C)c1OC(=O)CCC(=O)[O-])CC[C@](C)(CCC[C@H](C)CCC[C@@H](C)CCCC(C)C)O2,C05179479_decoy,PA2GA,Decoy,0,-13.6041,-7.37,-3.93,-9.884617030007451
C=C(NC(=O)c1ccc(/C(=C\CCCCC(=O)[O-])c2cccnc2)cc1)C(=O)NCCCCC1CCCCC1,C13782527_decoy,PA2GA,Decoy,0,-13.2369,-8.05,-4.19,-8.550827904245107
CC[NH+](CC)CCC[C@@H](C)NC(=O)CCN(Cc1ccco1)c1nc(Cc2ccc(C)cc2)ns1,C16516166_decoy,PA2GA,Decoy,0,-11.2354,-8.0,-3.42,-8.861415177271542
CC[NH+](CC)CCC[C@H](C)NC(=O)CSc1nc(Cl)cc(N(C)CCc2ccc(OC)c(OC)c2)n1,C16611558_decoy,PA2GA,Decoy,0,-14.4711,-7.44,-2.64,-9.7733740059589
CCCCc1[nH+]cc([C@@H](OC(C)=O)[C@@H](Cc2cccs2)C(=O)OC)n1Cc1ccc(C(=O)OC)cc1,C22005991_decoy,PA2GA,Decoy,0,-11.1316,-7.12,-2.61,-10.503346054721574
CCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C[C@H]1CCCO1,C34793471_decoy,PA2GA,Decoy,0,-11.3432,-6.58,-2.48,-9.412993077923536
CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccncc3)nc2)cc1,C34802936_decoy,PA2GA,Decoy,0,-9.9278,-6.78,-3.51,-7.694606154142518
CCCCCc1ccc(C(=O)N(CC[NH+](CCCC)CCCC)Cc2ccc(-c3ccncc3)cn2)cc1,C34802945_decoy,PA2GA,Decoy,0,-9.905,-6.45,-2.84,-7.531451450750073
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OCC=C)c(OC)c2)c(C)c1,C34918992_decoy,PA2GA,Decoy,0,-10.6326,-7.53,-4.38,-8.715488937913562
CC[NH+](CC)CCC[C@H](C)N(Cc1ccc(OCc2ccccc2)c(OC)c1)C(=O)/C=C/c1ccccc1,C34970452_decoy,PA2GA,Decoy,0,-9.62855,-8.3,-1.75,-8.590589342206892
CCCCc1ccc(C(=O)N(CCCCCCNc2cccc[nH+]2)Cc2ccc(OC)c(OC)c2)cc1,C34971870_decoy,PA2GA,Decoy,0,-10.6357,-7.25,-2.18,-9.051358031297054
CCCC[C@@H](CC)C(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)[C@@H](C)CC,C35394888_decoy,PA2GA,Decoy,0,-10.2981,-7.07,-4.64,-10.575150964371764
CCOc1cc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2CC[NH+](CC)CC)ccc1OCCC(C)C,C35444037_decoy,PA2GA,Decoy,0,-9.26865,-5.45,-4.19,-6.454848079524966
C=CCOc1ccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1OCC,C35444851_decoy,PA2GA,Decoy,0,-9.99897,-6.84,-2.95,-7.993082445234555
CCCC[NH+](CCCC)CCCN1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1ccc(OCC)c(OCC)c1,C35483560_decoy,PA2GA,Decoy,0,-9.31024,-4.56,-2.72,-6.336861937562378
CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)C[C@H](C)CC(C)(C)C,C35764828_decoy,PA2GA,Decoy,0,-10.0049,-7.28,-3.17,-9.37251474040414
CCCCOC[C@@H](O)C[NH+](Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(OC)c1)C[C@@H]1CCCO1,C35781405_decoy,PA2GA,Decoy,0,-8.81914,-7.99,-2.66,-8.878272840337823
CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)C[C@@H](C)CC(C)(C)C,C35795998_decoy,PA2GA,Decoy,0,-11.4002,-6.84,-2.15,-8.912640833569402
CCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C1CC1,C35797593_decoy,PA2GA,Decoy,0,-11.0405,-6.22,-1.57,-9.15222520603537
CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[NH+](CCOC)C[C@H](O)COCC(C)C,C36303110_decoy,PA2GA,Decoy,0,-10.7092,-8.03,-3.33,-10.346392083756204
CCCCOC[C@H](O)C[NH+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(F)c1,C36313695_decoy,PA2GA,Decoy,0,-10.2996,-7.1,-4.05,-9.662378170451335
CCCCOC[C@@H](O)C[NH+](CCOC)Cc1c(C)nn(-c2ccccc2)c1Oc1ccccc1Cl,C36313707_decoy,PA2GA,Decoy,0,-8.73742,-7.12,-1.52,-8.364772331524671
CCCCOC[C@@H](O)C[NH+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1cccc(OC)c1,C36313866_decoy,PA2GA,Decoy,0,-9.41413,-5.97,-2.43,-8.264896151129278
CCCCOC[C@@H](O)C[NH+](CCOC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1,C36313882_decoy,PA2GA,Decoy,0,-9.85031,-7.65,-4.25,-9.420926286450287
CCCCCCN(C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)[C@H](C(=O)NCCCC)c1ccc(O)cc1,C36507939_decoy,PA2GA,Decoy,0,-10.1101,-7.65,-2.13,-9.604860971032116
CCCCCCN(C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)[C@H](C(=O)NCCCC)c1ccccc1O,C36507955_decoy,PA2GA,Decoy,0,-9.39507,-8.02,-3.18,-9.118761204843192
CCCCC/C=C/C(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C(CC)CC,C36557541_decoy,PA2GA,Decoy,0,-10.8933,-8.35,-3.68,-13.427612937465089
CCCC[C@H](CC)C(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(OC)c(OC)c1,C36558177_decoy,PA2GA,Decoy,0,-10.1832,-7.19,-3.53,-10.051596818244237
CCCC(=O)OC[C@H](O)C[NH+](CCC)Cc1c(CC)nn(-c2ccccc2)c1Oc1ccc(F)cc1,C37266863_decoy,PA2GA,Decoy,0,-11.0328,-7.94,-2.81,-12.073719491043654
CC(C)Cc1ccc([C@H](C)C(=O)NCCCC[C@H](NC(=O)[C@@H](C)c2ccc(CC(C)C)cc2)C(=O)[O-])cc1,C32603186_decoy,PA2GA,Decoy,0,-12.4735,-9.07,-2.48,-10.537912045126983
C=CC(=O)OCCOc1ccc(C(C)(C)c2ccc(OCCOC(=O)CC[NH+](CC)CC)cc2)cc1,C38636727_decoy,PA2GA,Decoy,0,-9.45686,-7.12,-4.64,-9.601841042674929
CCCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCC[NH+](CCCC)CCCC)cc1,C40014181_decoy,PA2GA,Decoy,0,-10.8128,-6.36,-3.69,-8.207141631798061
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@H]1c1ccc(OCC)c(OC)c1,C40018841_decoy,PA2GA,Decoy,0,-10.5553,-6.95,-3.28,-9.304342047175991
C=CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2CCC[NH+](CCCC)CCCC)cc1OC,C40018942_decoy,PA2GA,Decoy,0,-11.2852,-5.68,-4.61,-8.363777239655983
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1ccc(OCC(C)C)c(OC)c1,C40018956_decoy,PA2GA,Decoy,0,-10.9994,-7.04,-3.08,-10.08392737129089
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc(OCC)c(OCC)c1,C40019010_decoy,PA2GA,Decoy,0,-10.8983,-6.91,-4.06,-9.332235941229497
C=CCOc1ccccc1[C@H]1C(C(=O)c2ccccc2)=C([O-])C(=O)N1CCC[NH+](CCCC)CCCC,C40019122_decoy,PA2GA,Decoy,0,-10.3268,-7.44,-4.05,-9.106070680361883
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(N(C)C)cc1,C40020159_decoy,PA2GA,Decoy,0,-10.532,-7.79,-3.7,-9.17168750358818
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(C)cc1,C40020218_decoy,PA2GA,Decoy,0,-9.90987,-6.66,-3.86,-7.917642167767402
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)c1,C40054267_decoy,PA2GA,Decoy,0,-13.0113,-8.11,-3.79,-12.087035333191942
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)c(C)c1,C40083431_decoy,PA2GA,Decoy,0,-8.94357,-6.81,-2.28,-6.514556785093158
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(OCCCC)c(OCC)c2)c1,C40102432_decoy,PA2GA,Decoy,0,-10.3194,-6.66,-4.91,-9.429239086753949
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)c1,C40102436_decoy,PA2GA,Decoy,0,-10.4245,-8.12,-4.29,-10.396009803558398
CCCCC/C=C/C(=O)N(c1ccccc1)[C@@H](CCCCC)C(=O)NCS(=O)(=O)c1ccc(C)cc1,C36606423_decoy,PA2GA,Decoy,0,-10.3176,-7.08,-1.96,-10.84999293819082
CCCCC[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)[C@@H](CC)CCCC)c1ccccc1,C36606910_decoy,PA2GA,Decoy,0,-9.886,-6.44,-3.87,-9.53091777795814
CCOc1ccc(CCNC(=S)N(Cc2ccc(OC)cc2OC)C[C@H]2CCCO2)cc1OCC,C59074636_decoy,PA2GA,Decoy,0,-10.964,-7.48,-2.1,-10.950736228170308
CC[NH+](CC)CCCN(CC(=O)N(C1CCCCC1)C1CCCCC1)C[C@H](O)COc1ccc([N+](=O)[O-])cc1,C34966049_decoy,PA2GA,Decoy,0,-9.57676,-8.37,-3.66,-8.721130027503408
CCOc1ccc(CCN/C(=[NH+]/CCc2ccc(OCC)c(OCC)c2)S[C@H]2C=CCCC2)cc1OCC,C59225381_decoy,PA2GA,Decoy,0,-11.7773,-7.38,-3.41,-11.174659617937564
CCC(/C=C\[C@@H]1OC(=O)C=C[C@@H]1C)=C/[C@H](C)C/C=C/C(C)=C\[C@@H](C)C(=O)[C@@H](C)[C@H](O)[C@@H](C)C/C(C)=C/C(=O)[O-],C64858626_decoy,PA2GA,Decoy,0,-11.1065,-8.39,-4.36,-11.245408069562172
CCCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=S)Nc3ccc(OC)cc3)cc2OCC)cc1,C04231407_decoy,PA2GA,Decoy,0,-10.5373,-8.17,-2.6,-8.376447609614258
CCCCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CCOC)cc1,C06480741_decoy,PA2GA,Decoy,0,-11.8607,-8.03,-3.26,-16.65657315824933
CCCC[C@H](C(=O)NC1CCCC1)N(CCCOCC)C(=O)Cn1nnc(-c2ccc(Cl)cc2)n1,C06481479_decoy,PA2GA,Decoy,0,-10.5065,-6.76,-4.14,-7.982238612370627
CC(C)CCOc1cccc(C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OCCCc2ccccc2)c1,C14644773_decoy,PA2GA,Decoy,0,-11.5222,-6.31,-3.98,-7.239818731539608
CCCCCCc1ccc(C(=O)N(CCOC)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2)cc1,C16435437_decoy,PA2GA,Decoy,0,-10.5019,-8.67,-4.65,-11.661464095846856
COCCN(Cc1cccn1Cc1ccccc1)C(=O)CN(CCC(C)C)C(=O)/C=C/c1ccccc1,C16510635_decoy,PA2GA,Decoy,0,-9.84385,-8.23,-4.64,-9.823978695669222
CCCCCc1ccc(C(=O)N(CC(=O)N(CCc2c[nH]c3ccccc23)Cc2ccccc2)CC(C)C)cc1,C16647846_decoy,PA2GA,Decoy,0,-8.14556,-8.09,-3.12,-6.906824312999196
CCCCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1)CC(C)C,C16648471_decoy,PA2GA,Decoy,0,-9.78,-7.04,-4.06,-9.18174465377011
CCCC(=O)N(CCCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1,C16649320_decoy,PA2GA,Decoy,0,-8.86619,-6.88,-2.2,-8.825249641893322
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(O)c(OC)c1,C25181221_decoy,PA2GA,Decoy,0,-10.7788,-7.42,-2.53,-9.697725921466116
CC(C)OC(=O)CCC/C=C\C[C@@H]1C(=O)C[C@H](O)[C@@H]1/C=C/[C@H](O)COc1cccc(C(F)(F)F)c1,C27641700_decoy,PA2GA,Decoy,0,-12.8812,-7.86,-1.53,-11.034239710962323
CC(C)OC(=O)CCC/C=C\C[C@H]1[C@@H](/C=C/C(=O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@H]1O,C27641766_decoy,PA2GA,Decoy,0,-10.8173,-7.84,-2.01,-8.447942991691399
CC(C)OC(=O)CCC/C=C\C[C@@H]1[C@@H](/C=C/C(=O)COc2cccc(C(F)(F)F)c2)[C@H](O)C[C@H]1O,C27641773_decoy,PA2GA,Decoy,0,-13.3164,-8.59,-3.35,-9.21837646975958
CCCCCC(=O)OC[C@@H](CO[P@@](=O)([O-])OC1[C@@H](O)[C@@H](C)C(C)[C@@H](C)[C@H]1O)OC(=O)CCCCC,C27645562_decoy,PA2GA,Decoy,0,-10.1462,-5.9,-2.08,-8.904978303715769
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C([O-])C(=O)N2CC[NH+](CC)CC)cc1,C33375240_decoy,PA2GA,Decoy,0,-11.2902,-7.19,-2.39,-8.890636459858325
C=CCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1OCC,C33498783_decoy,PA2GA,Decoy,0,-11.0646,-6.72,-3.82,-9.473995382430104
COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)C(C)(C)C,C33717464_decoy,PA2GA,Decoy,0,-10.2049,-7.02,-2.68,-8.922285025419228
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCOC)[C@@H]2c2ccc(OCCC(C)C)c(OCC)c2)cc1,C34921424_decoy,PA2GA,Decoy,0,-9.76875,-7.29,-3.63,-8.430212877220734
CCc1cc(=O)n(C)c(S[C@@H](C)C(=O)NCCCCOc2ccc(C(C)(C)CC)cc2C(C)(C)CC)n1,C35157887_decoy,PA2GA,Decoy,0,-11.5425,-7.53,-3.6,-8.739368729110044
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1OCC,C35299408_decoy,PA2GA,Decoy,0,-11.7003,-6.43,-4.73,-9.054235970652572
CCCCCc1ccc(C(=O)Nc2ccc([C@@H]3NC(=O)N(CCC)C(C)=C3C(=O)OCCOC)cc2)cc1,C35710299_decoy,PA2GA,Decoy,0,-10.0177,-4.88,-4.02,-6.460162943606893
COc1ccc(CCN(Cc2cccs2)C(=O)CN(C(=O)COCc2ccccc2)C(C)C)cc1OC,C35795739_decoy,PA2GA,Decoy,0,-9.92937,-6.43,-2.98,-6.715638027454701
C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)COc1ccccc1,C33863872_decoy,PA2GA,Decoy,0,-10.5829,-7.16,-2.63,-9.23753526755576
CCOCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC[C@H](O)COCc3ccccc3)cc2)n1,C36145518_decoy,PA2GA,Decoy,0,-8.67544,-7.54,-3.32,-6.979982598835288
CCOCCOc1nc(-c2ccc(C)cc2)n(-c2ccc(NC[C@@H](O)COCc3ccccc3)cc2)n1,C36145519_decoy,PA2GA,Decoy,0,-9.12255,-7.77,-2.38,-6.900382844926816
CCCCC/C=C\C(=O)N(Cc1ccco1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(C(F)(F)F)cc1,C36495901_decoy,PA2GA,Decoy,0,-10.1701,-6.68,-2.26,-8.660822772808872
CCCC[C@H](CC)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(C(F)(F)F)cc1,C36496396_decoy,PA2GA,Decoy,0,-10.1393,-8.04,-3.41,-10.14546245517622
CCCC[C@H](CC)C(=O)N(Cc1ccco1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(N(C)C)cc1,C36496689_decoy,PA2GA,Decoy,0,-9.11277,-7.68,-3.88,-9.216148379648269
CCCC[C@H](CC)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(O)c(OC)c1,C36496739_decoy,PA2GA,Decoy,0,-10.2396,-7.8,-3.56,-11.115877846810749
CCCCCCN(C(=O)/C(=C/c1ccccc1)c1ccccc1)[C@@H](C(=O)NCCCC)c1ccc(O)cc1,C36507736_decoy,PA2GA,Decoy,0,-8.50982,-7.51,-1.64,-8.832061184496936
CCCCCCN(C(=O)/C(=C/c1ccccc1)c1ccccc1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccco1,C36507846_decoy,PA2GA,Decoy,0,-8.34463,-7.02,-1.8,-8.232995397650447
CCCCCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)[C@@H](C)c1ccccc1,C36519881_decoy,PA2GA,Decoy,0,-9.84773,-8.02,-3.58,-9.544681916285445
CCCCC/C=C/C(=O)N(c1ccccc1Cl)[C@H](C(=O)NCCCC)c1ccc(OC)c(OC)c1,C36542218_decoy,PA2GA,Decoy,0,-8.7966,-6.79,-3.55,-8.060839875595509
CCCCC[C@H](C(=O)NCCCC)N(Cc1ccc(C)o1)C(=O)/C(=C/c1ccccc1)c1ccccc1,C36555455_decoy,PA2GA,Decoy,0,-9.21497,-7.52,-3.27,-8.709399566823002
CCCC[C@H](CC)C(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(OC)cc1,C36558247_decoy,PA2GA,Decoy,0,-8.52294,-6.91,-2.13,-10.373844419181316
CCCC[C@H](CC)C(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(OC)cc1,C36558249_decoy,PA2GA,Decoy,0,-10.2763,-6.27,-2.74,-8.560936854673832
CCCCCC(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C(c1ccccc1)c1ccccc1,C36600639_decoy,PA2GA,Decoy,0,-9.25999,-7.83,-2.54,-9.354361175548634
C=CCn1c(CCNC(=O)c2ccccc2OC)nnc1SCC(=O)c1ccc(OCC)c([N+](=O)[O-])c1,C39760071_decoy,PA2GA,Decoy,0,-10.8058,-7.49,-3.42,-7.379073679755865
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C([O-])C(=O)N2CC[NH+](CC)CC)cc1OC,C39828014_decoy,PA2GA,Decoy,0,-10.2178,-7.69,-2.94,-8.727933999758129
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1/C=C/c1ccccc1,C40019226_decoy,PA2GA,Decoy,0,-10.9458,-6.52,-2.57,-8.265445453194381
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1ccc(C(C)(C)C)cc1,C40019920_decoy,PA2GA,Decoy,0,-11.8573,-7.42,-4.13,-10.505135591230914
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OC)c2)[C@@H]1c1sccc1C,C40020172_decoy,PA2GA,Decoy,0,-11.0325,-7.27,-2.74,-9.451355039043412
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@@H]2c2ccc(OCCCC)c(OCC)c2)c1,C40054578_decoy,PA2GA,Decoy,0,-10.5459,-7.77,-4.29,-10.454023313710174
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@H]2c2ccc(OCCC(C)C)c(OCC)c2)c1,C40054583_decoy,PA2GA,Decoy,0,-12.2489,-7.34,-3.39,-11.705865375642851
CCN(CC)c1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C([O-])C(=O)N2CCOCCO)cc1,C40084741_decoy,PA2GA,Decoy,0,-10.5951,-7.95,-3.61,-8.713288026711401
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2cccc(OCCC(C)C)c2)cc1,C40099371_decoy,PA2GA,Decoy,0,-10.9214,-8.08,-3.69,-9.855425223827684
C=CC(=O)OCCOC(=O)C(/C=C\C)(/C=C\C)C(/C=C\C)(/C=C\C)C(=O)OC[C@H](O)COC(=O)C=C,C44710358_decoy,PA2GA,Decoy,0,-9.93795,-6.59,-3.97,-7.253091961851994
COc1cc(OC)c(OC)cc1CN(Cc1ccccc1)C(=S)NCCc1ccc(OC)c(OC)c1,C59006965_decoy,PA2GA,Decoy,0,-10.1123,-7.1,-2.89,-8.823552686283787
COc1ccc(CCNC(=S)N(Cc2ccccc2)Cc2cc(OC)c(OC)c(OC)c2)cc1OC,C59007679_decoy,PA2GA,Decoy,0,-10.8738,-6.88,-2.48,-9.548179279112007
CCOc1ccc(CCNC(=S)N(Cc2cc(OC)c(OC)cc2OC)C[C@@H]2CCCO2)cc1OCC,C59074690_decoy,PA2GA,Decoy,0,-10.7919,-7.38,-3.4,-8.029932156168694
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)c2cc(OCC)c(OCC)c(OCC)c2)c(OCC)c1,C04290887_decoy,PA2GA,Decoy,0,-9.75894,-8.09,-5.14,-8.36346910411958
CC(C)(C)COC(=O)C(C)(C)NC(=O)[C@@H](CC(=O)OCc1ccccc1)NC(=O)OCc1ccccc1,C06005358_decoy,PA2GA,Decoy,0,-11.4799,-8.05,-1.04,-13.783305206088578
C=C(C)COc1ccc(NC(=O)CCCCCCCCC(=O)Nc2ccc(OCC(=C)C)cc2)cc1,C09813890_decoy,PA2GA,Decoy,0,-10.6461,-7.96,-1.04,-11.543394221794475
C=C(C)COc1cccc(NC(=O)CCCCCCCCC(=O)Nc2cccc(OCC(=C)C)c2)c1,C09824409_decoy,PA2GA,Decoy,0,-11.1957,-6.92,-1.8,-11.884401756705136
CC(=O)N(CC[C@@H](C)CCC=C(C)C)CCN(CCN(CC[C@@H](C)CCC=C(C)C)C(C)=O)C(C)=O,C12659743_decoy,PA2GA,Decoy,0,-10.8449,-7.25,-2.56,-9.574276488550254
CCCCOP(=O)(OCCCC)OC(=C(Cl)Cl)P(=O)(OCCCC)OCCCC,C05217509_decoy,PA2GA,Decoy,0,-8.17224,-5.99,-2.35,-9.263636452483198
CCOC(=O)[C@@H](CC/C=C(\C)CC/C=C/COC(=O)N(C(C)C)C(C)C)P(=O)(OCC)OCC,C17174884_decoy,PA2GA,Decoy,0,-8.84063,-6.46,-3.93,-7.224392181595686
CCOC(=O)[C@@H](CC/C=C(/C)CC/C=C/COC(=O)N(C(C)C)C(C)C)P(=O)(OCC)OCC,C17174885_decoy,PA2GA,Decoy,0,-8.22651,-7.23,-2.57,-7.515442941511281
Cc1cn([C@H]2C[C@H](F)[C@@H](COC(=O)CCCCCCCCCCCBr)O2)c(=O)[nH]c1=O,C17224370_decoy,PA2GA,Decoy,0,-10.7448,-7.4,-4.38,-8.081388655109938
CCCCCC(=O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)OC)[C@@H](OC(C)=O)C[C@H]1O[C@@H]1CCCCO1,C22002533_decoy,PA2GA,Decoy,0,-10.6329,-7.42,-2.09,-9.041959939692104
COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)C[C@H](C)CC(C)(C)C,C33624686_decoy,PA2GA,Decoy,0,-8.5936,-7.53,-2.45,-8.97273001905192
CCCC[C@@H](CC)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCCOCC)c1,C34701544_decoy,PA2GA,Decoy,0,-11.1533,-7.18,-2.77,-8.854935304312788
CCCC[C@H](CC)C(=O)Nc1ccc(N2CCC(Cc3ccccc3)CC2)c(C(=O)NCCCOCC)c1,C34701545_decoy,PA2GA,Decoy,0,-10.9671,-6.82,-2.46,-8.895244163744247
CCCCCC(=O)N1CCN(CCN(C/C=C/c2ccccc2OC)C(=O)C[C@H](C)CC(C)(C)C)CC1,C35100567_decoy,PA2GA,Decoy,0,-10.3983,-7.61,-4.12,-8.836899440185418
CCCC[C@H](CC)C(=O)N(CCCC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C)cc1,C35351008_decoy,PA2GA,Decoy,0,-9.31516,-7.25,-2.25,-8.154181077186074
CCCC[C@H](CC)C(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(C)(C)C,C35764604_decoy,PA2GA,Decoy,0,-9.46236,-8.19,-4.64,-10.36703791499339
CCCCC[C@@H](C(=O)NCCCC)N(Cc1ccco1)C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1,C36494087_decoy,PA2GA,Decoy,0,-10.4956,-7.08,-2.92,-8.295282612153846
CCCCC/C=C\C(=O)N(Cc1ccco1)[C@H](C(=O)NCCCC)C(c1ccccc1)c1ccccc1,C36495861_decoy,PA2GA,Decoy,0,-9.44772,-7.77,-4.14,-9.11624726744422
CCCCC/C=C/C(=O)N(Cc1ccco1)[C@@H](C(=O)NCCCC)C(c1ccccc1)c1ccccc1,C36495864_decoy,PA2GA,Decoy,0,-9.4841,-7.82,-4.44,-8.852846887445594
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccco1)C(=O)/C=C\CCCCC,C36495973_decoy,PA2GA,Decoy,0,-9.44907,-7.98,-4.64,-9.7033556790302
CCCCNC(=O)[C@H](C(c1ccccc1)c1ccccc1)N(Cc1ccco1)C(=O)[C@@H](CC)CCCC,C36496350_decoy,PA2GA,Decoy,0,-8.7649,-7.63,-3.04,-9.060928048130448
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccco1)C(=O)[C@H](CC)CCCC,C36496468_decoy,PA2GA,Decoy,0,-10.1643,-6.94,-3.33,-8.589301850450674
CCCCCCN(C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1)[C@H](C(=O)NCCCC)c1ccccc1C,C36507949_decoy,PA2GA,Decoy,0,-9.37855,-7.77,-4.31,-8.684805933291921
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCCCCC)C(=O)/C=C\CCCCC,C36510059_decoy,PA2GA,Decoy,0,-10.7024,-6.68,-3.14,-9.26917631799452
CCCCC/C=C\C(=O)N(CCCCCC)[C@@H](C(=O)NC(C)(C)C)c1cc([N+](=O)[O-])ccc1Cl,C36510095_decoy,PA2GA,Decoy,0,-9.09741,-7.34,-2.44,-9.2364936502663
C/C=C\[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCCCCC)C(=O)/C=C\CCCCC,C36510197_decoy,PA2GA,Decoy,0,-9.65008,-6.63,-4.3,-7.584723367053758
CCCCCCN(C(=O)[C@H](CC)CCCC)[C@H](C(=O)NC1CCCCC1)c1cc([N+](=O)[O-])ccc1Cl,C36510586_decoy,PA2GA,Decoy,0,-9.48003,-6.14,-5.03,-8.229168829231773
CCCCCCN(C(=O)[C@H](CC)CCCC)[C@H](C(=O)NCCCC)c1cc([N+](=O)[O-])ccc1Cl,C36510590_decoy,PA2GA,Decoy,0,-8.99853,-6.73,-3.4,-9.536920905940615
CCCCCCN(C(=O)[C@H](CC)c1ccccc1)[C@H](C(=O)NCCCC)c1cc([N+](=O)[O-])ccc1Cl,C36511046_decoy,PA2GA,Decoy,0,-10.0857,-6.56,-3.31,-8.846591707955467
CCCCCCN(C(=O)CCCCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(O)cc1,C36518125_decoy,PA2GA,Decoy,0,-10.1024,-6.86,-4.7,-8.705308687237045
CCCCCCN(C(=O)CNC(=O)c1ccccc1)[C@@H](C(=O)NCCCC)c1ccc([N+](=O)[O-])cc1,C36518976_decoy,PA2GA,Decoy,0,-9.0391,-7.79,-2.74,-8.563677735960939
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccc(C)o1)C(=O)/C=C/CCCCC,C36557489_decoy,PA2GA,Decoy,0,-10.0223,-8.4,-4.1,-10.1830425203245
CCCCC[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)[C@H](CC)CCCC)C(C)(C)C,C36582788_decoy,PA2GA,Decoy,0,-8.43747,-5.79,-3.4,-8.08392691986439
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2CCC[NH+](CCCC)CCCC)c1,C40019002_decoy,PA2GA,Decoy,0,-11.0957,-6.92,-4.86,-11.864454527781742
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(Cl)cc3)=C([O-])C(=O)N2CCC[NH+](CCCC)CCCC)c1,C40019201_decoy,PA2GA,Decoy,0,-11.1706,-8.02,-4.22,-9.73980571686191
C=CCOc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1CCC[NH+](CCCC)CCCC,C40019830_decoy,PA2GA,Decoy,0,-12.0461,-7.29,-4.13,-10.331935687052836
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OC)c2)[C@H]1c1ccc(CC)cc1,C40020090_decoy,PA2GA,Decoy,0,-10.1981,-6.98,-3.99,-8.349926469157367
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccccc1,C40020211_decoy,PA2GA,Decoy,0,-8.38913,-7.32,-1.87,-6.744753171318385
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(O)c(OC)c1,C40020239_decoy,PA2GA,Decoy,0,-10.3285,-8.11,-3.67,-10.087671984401815
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@H]1c1cccc(OC)c1,C40020249_decoy,PA2GA,Decoy,0,-10.0314,-6.1,-3.63,-7.593138120618135
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1ccc(N(C)C)cc1,C40020279_decoy,PA2GA,Decoy,0,-11.0509,-5.17,-3.43,-7.453257338293504
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(C)o1,C40020284_decoy,PA2GA,Decoy,0,-10.7864,-8.5,-4.0,-9.675909879411568
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](CCCC)CCCC)[C@H]2c2ccc(O)cc2)c1,C40020367_decoy,PA2GA,Decoy,0,-10.7073,-6.79,-3.74,-7.867275482642442
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](CCCC)CCCC)[C@@H]2c2cccs2)c1,C40020386_decoy,PA2GA,Decoy,0,-9.29505,-6.82,-3.88,-7.14754307759579
CCCCCCC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)[C@@H](C)CC,C40372111_decoy,PA2GA,Decoy,0,-11.2545,-6.69,-3.49,-9.076227253042653
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OCC)c1,C40999864_decoy,PA2GA,Decoy,0,-9.69474,-6.24,-3.65,-6.796086078007786
CCCCOC(=O)C1=C(C)Nc2nc(SCCCC)nn2[C@H]1c1ccc(OCCCC)c(OCC)c1,C41001407_decoy,PA2GA,Decoy,0,-10.8991,-6.07,-1.46,-13.751526635438804
CCOC1=N[C@H](C(C)C)C(OCC)=N[C@H]1C[C@H](Cc1ccc(OC)c(OCCCOC)c1)C(C)C,C44460334_decoy,PA2GA,Decoy,0,-9.94181,-7.48,-1.68,-9.23350232293321
CCCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OC)cc1OCC,C54624622_decoy,PA2GA,Decoy,0,-10.4844,-6.33,-2.63,-6.642090833804381
CCCCOc1ccc(CCC(=O)Nc2sc(C(=O)OC(C)C)c(C)c2C(=O)OCC)cc1OCC,C54624740_decoy,PA2GA,Decoy,0,-11.5754,-7.21,-1.48,-16.586553454113993
CC[C@@H](C(=O)[C@H](C)[C@@H](O)[C@H](C)CCc1ccc(C)c(O)c1C(=O)[O-])[C@@H]1O[C@@](CC)([C@H]2CC[C@](O)(CC)[C@H](C)O2)C[C@@H]1C,C03977799_decoy,PA2GA,Decoy,0,-14.6804,-9.46,-4.1,-10.419599506829677
CCOC(=O)[C@](CCC(=O)[O-])(CCC(C)C)c1csc(Nc2ccc(C)cc2)n1,C02207834_decoy,PA2GA,Decoy,0,-11.8171,-7.83,-5.42,-9.282159398922216
CC[C@@H](C)c1ccc(OP(=O)(C[C@H](C)CC(C)(C)C)Oc2ccc([C@@H](C)CC)cc2)cc1,C01665833_decoy,PA2GA,Decoy,0,-9.1435,-8.32,-3.34,-9.548375844774824
CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)[C@H](C)CC,C04925437_decoy,PA2GA,Decoy,0,-10.6284,-6.79,-1.35,-9.066070706758689
CCCC/N=C1\S/C(=C\c2ccc(OCCCC)c(OC)c2)C(=O)N1CCCC,C05552193_decoy,PA2GA,Decoy,0,-9.82503,-5.68,-2.39,-6.723885232602974
CCCC[C@@H](CC)C(=O)N(CCC(C)C)Cc1ccc(OS(C)(=O)=O)cc1,C04732561_decoy,PA2GA,Decoy,0,-8.91672,-6.32,-1.86,-9.212694735955418
CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)S(=O)(=O)c1ccc(C)cc1,C04759388_decoy,PA2GA,Decoy,0,-9.41612,-6.45,-3.58,-11.67851682419442
CCCC[C@H](CC)C(=O)N(Cc1ccc(OS(=O)(=O)CC)cc1)CC(C)C,C05074643_decoy,PA2GA,Decoy,0,-9.18905,-7.34,-1.61,-11.572148575778945
CCCC[C@H](CC)C(=O)N(Cc1cccc(OS(=O)(=O)CC)c1)[C@@H](C)CC,C04379321_decoy,PA2GA,Decoy,0,-9.18567,-6.79,-1.87,-8.645793630565182
CCCCN(CCCC)C(=O)CSc1nc2c(c(=O)n1CCCC)C1(CCCCC1)Cc1ccccc1-2,C09380385_decoy,PA2GA,Decoy,0,-11.318,-7.63,-2.71,-10.983433276965602
C=CCN1C(=O)/C(=C\c2cc(Cl)c(OCCCOc3ccc(CC)cc3)c(OCC)c2)SC1=S,C13893154_decoy,PA2GA,Decoy,0,-12.198,-6.72,,99.0
CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CC(C)C)C(=O)CC(C)C,C16462633_decoy,PA2GA,Decoy,0,-10.5657,-7.75,-4.32,-9.953874244971264
CCCCCOC(=O)CSc1nc(SCCCC)nc2sc3c(c12)CCCC3,C16845626_decoy,PA2GA,Decoy,0,-13.0478,-6.48,-1.84,-10.321687183311822
COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCCOc1ccccc1Cl,C13160284_decoy,PA2GA,Decoy,0,-11.0895,-8.11,-3.59,-9.573047256530309
O=C(OCc1ccc(COC(=O)c2ccc(OC(F)F)cc2)cc1)c1ccc(OC(F)F)cc1,C03355505_decoy,PA2GA,Decoy,0,-11.3001,-7.23,-1.56,-9.668623050211387
CCC(=O)N(CC[C@@H](CCC(C)C)c1ccc(OC(C)C)cc1)Cc1ccc(OC(C)C)cc1,C26961899_decoy,PA2GA,Decoy,0,-10.1177,-7.37,-2.44,-9.31493984912448
CCCC[C@@H](CC)COC(=O)CCSCCC(=O)OC[C@@H](CC)CCCC,C31362369_decoy,PA2GA,Decoy,0,-9.95569,-6.06,-3.86,-8.809930553214379
O=C1C([O-])=C(CCCCCCCCCCSCCCl)C(=O)c2ccccc21,C04715248_decoy,PA2GA,Decoy,0,-10.3874,-6.22,-3.11,-7.993568802094247
CCCC[C@H](C)CCCOC(=O)c1ccccc1C(=O)OCCC[C@@H](C)CCCC,C33608887_decoy,PA2GA,Decoy,0,-10.623,-6.61,-3.24,-9.525493222513786
CCCC[C@@H](CCC)COC(=O)c1ccccc1C(=O)OC[C@H](CCC)CCCC,C33609379_decoy,PA2GA,Decoy,0,-10.1884,-6.92,-1.57,-10.723298204130028
C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)C[C@H](C)CC(C)(C)C,C33643920_decoy,PA2GA,Decoy,0,-10.5053,-7.61,-3.71,-7.504289393071417
Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(C[C@@H]1CCCO1)C(=O)C[C@H](C)CC(C)(C)C,C33657620_decoy,PA2GA,Decoy,0,-11.4821,-8.61,-3.33,-12.32864348100076
C=CCN(CC(=O)N(Cc1ccccc1)Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)C(C)C,C33741773_decoy,PA2GA,Decoy,0,-9.84586,-8.46,-2.25,-12.416227769477567
CCCC[C@@H](CC)COC(=O)O[C@@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@@H](CCCCC(C)C)[C@@]4(C)CC[C@H]32)C1,C34897198_decoy,PA2GA,Decoy,0,-10.9738,-6.83,-2.34,-9.862882805450289
CCCn1c([C@@H](CC)N(CCCOC)C(=O)C[C@@H](C)CC(C)(C)C)nc2ccccc2c1=O,C35109712_decoy,PA2GA,Decoy,0,-9.19418,-6.9,-4.32,-9.148059478566037
CCCCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)CN(CC)C(=O)c1cccc(F)c1,C35336308_decoy,PA2GA,Decoy,0,-10.7909,-7.76,-3.21,-11.422973396457357
CCCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccco2)Cc2cccn2C)[C@@H](C)CC)cc1,C35336878_decoy,PA2GA,Decoy,0,-10.192,-6.43,-3.97,-8.534487092786014
CC[C@H](C(=O)N(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CCCCC1)[C@H](C)CC)c1ccccc1,C35349538_decoy,PA2GA,Decoy,0,-8.91722,-9.0,-3.9,-9.550209139196948
CCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)[C@@H](C)CC)cc1,C35394427_decoy,PA2GA,Decoy,0,-10.7393,-5.96,-3.97,-8.077850379239877
CC(C)CN(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1)C(=O)CCc1ccccc1,C35746819_decoy,PA2GA,Decoy,0,-10.8288,-9.3,-2.33,-14.349991630223084
CCCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CCCCC1)C(=O)c1cccc(F)c1,C35759575_decoy,PA2GA,Decoy,0,-11.2247,-8.05,-3.6,-10.887663577511798
CCCC[C@H](CC)C(=O)N(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)[C@@H](C)CC,C35776408_decoy,PA2GA,Decoy,0,-10.6442,-8.36,-2.1,-9.846494391970102
CCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2cccs2)C[C@@H]2CCCO2)cc1,C35797224_decoy,PA2GA,Decoy,0,-11.7521,-7.27,-2.41,-9.56561582900413
CCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)CC(C)C)cc1,C35798311_decoy,PA2GA,Decoy,0,-11.8866,-7.46,-4.19,-10.534147023916088
COCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)C(c1ccccc1)c1ccccc1,C35798536_decoy,PA2GA,Decoy,0,-10.6198,-6.65,-3.12,-7.543207761612184
CCCC[C@H](CC)C(=O)N(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C[C@H]1CCCO1,C35798937_decoy,PA2GA,Decoy,0,-10.5397,-7.9,-1.59,-9.09977941438474
C=CCN(C(=O)c1ccc(CCCCC)cc1)[C@@H](C)C(=O)c1c(C)c(C(=O)OCC)n(C)c1C,C35868677_decoy,PA2GA,Decoy,0,-9.7719,-5.51,-2.97,-5.532564916054852
CCCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(C)cc1C,C36513788_decoy,PA2GA,Decoy,0,-8.37053,-7.3,-1.87,-9.776607947645532
CCCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@H](C(=O)NC(C)(C)C)[C@H](C)c1ccccc1,C36513828_decoy,PA2GA,Decoy,0,-10.4444,-7.66,-3.59,-9.53660980114392
CO[C@@H]1C[C@H](OCc2ccccc2)[C@H]([C@H](COCc2ccccc2)OCc2ccccc2)O1,C37246210_decoy,PA2GA,Decoy,0,-8.69138,-8.1,-2.37,-9.649810413378804
CO[C@H]1C[C@@H](OCc2ccccc2)[C@H]([C@H](COCc2ccccc2)OCc2ccccc2)O1,C37246213_decoy,PA2GA,Decoy,0,-6.70374,-8.94,-3.17,-8.951164148091332
O=C(/C=C/c1ccc(F)cc1)OCCCCCCOC(=O)/C=C/c1ccc(F)cc1,C13987481_decoy,PA2GA,Decoy,0,-9.67906,-7.43,-2.66,-8.490068605122625
CCCCN(CCCC)C(=O)SSSC(=O)N(CCCC)CCCC,C38645422_decoy,PA2GA,Decoy,0,-11.0974,-5.41,-3.68,-9.22129991159328
CCCC[C@@H](CC)COc1ccc(OCC(=O)Oc2ccc(Br)cc2)cc1,C39842845_decoy,PA2GA,Decoy,0,-9.8801,-7.47,-2.55,-10.928136271335074
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(OCc3ccccc3Cl)c(OCC)c2)SC1=S,C40006195_decoy,PA2GA,Decoy,0,-12.0613,-7.27,-3.45,-8.819016041708332
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCCC)c2)[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1,C40029539_decoy,PA2GA,Decoy,0,-11.4264,-7.92,-2.11,-13.083686251061678
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)c1,C40100803_decoy,PA2GA,Decoy,0,-11.6481,-7.12,-4.23,-9.50910735192296
CCOc1cc([C@H]2NC(=O)C([O-])=C2C(=O)c2cc(C)c(OCC(C)C)c(C)c2)ccc1OCCC(C)C,C40124260_decoy,PA2GA,Decoy,0,-10.9381,-8.65,-2.61,-9.226437179883511
COCOCC[C@H]1CCC(CC/C=C/CSc2ccccc2)(CC/C=C/CSc2ccccc2)C1=O,C43762903_decoy,PA2GA,Decoy,0,-12.0431,-8.18,-3.09,-11.153380991374195
c1ccc2c(c1)nc(CCCCCCCCc1nc3ccccc3n1C[C@@H]1CO1)n2C[C@H]1CO1,C18037022_decoy,PA2GA,Decoy,0,-10.1062,-7.54,-2.62,-10.113625398580682
CCOC(=O)C(C(=O)OCC)(c1ccc(N(CC)CC)cc1)c1ccc(N(CC)CC)cc1,C03845374_decoy,PA2GA,Decoy,0,-8.35264,-6.68,-2.71,-7.957334887655054
CC(=O)Oc1c(C)c2c(c3ccccc13)O[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)CC2,C05371779_decoy,PA2GA,Decoy,0,-10.7076,-7.97,-2.92,-7.405647617065719
C[C@H](COC(=O)CC1(CC(=O)OC[C@@H](C)CC(C)(C)C)COCOC1)CC(C)(C)C,C05919469_decoy,PA2GA,Decoy,0,-10.5291,-7.27,-4.53,-9.89727735058629
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCCCCCCC(=O)[O-])C2=O)cc1,C08765568_decoy,PA2GA,Decoy,0,-11.2587,-7.35,-2.71,-8.108316147280679
CCC(=O)N(CC[C@@H](c1ccc(OC(C)C)cc1)c1ccccc1OC)Cc1ccc(N(C)C)cc1,C08836817_decoy,PA2GA,Decoy,0,-10.0715,-8.55,-2.02,-10.392808215144726
CCCCN(Cc1cccn1Cc1cccc(C)c1)C(=O)CN(CCC(C)C)C(=O)c1cccs1,C16462428_decoy,PA2GA,Decoy,0,-10.1182,-7.73,-3.27,-9.199609033760526
CCCCN(Cc1cccn1Cc1cccc(C)c1)C(=O)CN(CCC)C(=O)CC(C)(C)C,C16462500_decoy,PA2GA,Decoy,0,-9.45579,-7.67,-3.56,-9.917126403955796
C=CCN1C(=O)/C(=C\c2ccc(OCCCOc3ccc(CC)cc3)c(OCC)c2)SC1=S,C22257639_decoy,PA2GA,Decoy,0,-11.3235,-7.09,-3.12,-9.7019967624179
CCOc1ccc(CSCCc2c(C)nc(SCc3ccc(OC)c([N+](=O)[O-])c3)nc2[O-])cc1,C16854072_decoy,PA2GA,Decoy,0,-11.806,-7.3,-3.16,-8.387785090069876
C=C(C)C(=O)O[C@@H](C)COc1ccc(C(C)(C)c2ccc(OC[C@H](C)OC(=O)C(=C)C)cc2)cc1,C31332826_decoy,PA2GA,Decoy,0,-9.88417,-7.92,-3.43,-9.213686198845924
C=C(C)C(=O)O[C@H](C)COc1ccc(C(C)(C)c2ccc(OC[C@@H](C)OC(=O)C(=C)C)c(C)c2)cc1C,C31362463_decoy,PA2GA,Decoy,0,-10.5977,-7.91,-3.2,-10.875912653539777
COCCN(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)C[C@@H](C)CC(C)(C)C,C33555698_decoy,PA2GA,Decoy,0,-10.8294,-7.21,-2.4,-8.704330135399593
COCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)c1ccc(-c2ccccc2)cc1,C33561291_decoy,PA2GA,Decoy,0,-9.61839,-7.19,-1.56,-8.10996749180634
CC(C)CC(=O)O[C@H](c1cccnc1)P(=O)(O[C@H]1C[C@@H](C(C)C)CC[C@H]1C)O[C@@H]1C[C@H](C(C)C)CC[C@@H]1C,C33708189_decoy,PA2GA,Decoy,0,-10.2887,-7.41,-2.47,-12.140383309313023
CC[C@H](C)CN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)COc1ccc(Cl)cc1,C33741649_decoy,PA2GA,Decoy,0,-10.3198,-8.23,-3.13,-11.248284296503972
CCc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccc(C)s2)[C@H](C)CC)cc1,C33746875_decoy,PA2GA,Decoy,0,-11.038,-8.46,,99.0
C=COCC1CCC(COC(=O)c2ccc(C(=O)OCC3CCC(COC=C)CC3)cc2)CC1,C33771993_decoy,PA2GA,Decoy,0,-11.2237,-8.77,-4.01,-10.134029207005366
CCCCN(Cc1cccn1C)C(=O)CN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C)CC,C34889622_decoy,PA2GA,Decoy,0,-9.03834,-7.47,-5.31,-9.55385682331271
CCOc1ccc(CN(CCc2ccc(OC)c(OC)c2)S(=O)(=O)c2cccc(C(F)(F)F)c2)cc1,C34951794_decoy,PA2GA,Decoy,0,-10.7301,-8.2,-3.24,-12.055497935887994
CCCCCc1ccc(C(=O)N(CCOC)[C@H](CC)c2nc3ccccc3c(=O)n2CC)cc1,C35008899_decoy,PA2GA,Decoy,0,-8.9951,-8.47,-2.42,-9.529458227759934
CCCC[C@H](CC)C(=O)N(CCc1ccccn1)[C@H](CC)c1nc2ccccc2c(=O)n1CC,C35036445_decoy,PA2GA,Decoy,0,-9.64221,-8.08,-3.2,-10.322103124809392
CCCCCc1ccc(C(=O)N(CCOC)[C@@H](CC)c2nc3ccccc3c(=O)n2-c2ccc(CC)cc2)cc1,C35093437_decoy,PA2GA,Decoy,0,-9.66104,-7.52,-2.98,-8.550475581299754
CCCC[C@H](CC)C(=O)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)[C@@H](C)CC,C35354604_decoy,PA2GA,Decoy,0,-9.79726,-6.65,-2.01,-9.211881351789796
CCCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2ccc(C)o2)C2CC2)cc1,C35355003_decoy,PA2GA,Decoy,0,-9.45971,-6.85,-3.48,-6.984684521150289
CCCCCCC(=O)N(CCOC)CCc1csc2nc(-c3ccc(Cl)cc3)cn12,C35493674_decoy,PA2GA,Decoy,0,-11.1673,-7.57,-2.52,-12.184442601000722
CCCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)[C@H](CC)c1ccccc1,C35745085_decoy,PA2GA,Decoy,0,-8.96254,-7.36,-2.1,-9.63737118000687
CCCCCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)CN(CC)C(=O)c1ccccc1F,C35745314_decoy,PA2GA,Decoy,0,-13.212,-8.83,-3.0,-18.599211499701504
CCCCN(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1)C(=O)CC(C)(C)C,C35746862_decoy,PA2GA,Decoy,0,-10.6457,-7.51,-2.34,-11.740621280918456
CC(C)CC(=O)N(CC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccc(F)cc1)CC(C)C,C35753170_decoy,PA2GA,Decoy,0,-9.9694,-8.07,-1.69,-12.500844882948764
COCCN(Cc1cccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)c1)C(=O)CCC1CCCC1,C04198603_decoy,PA2GA,Decoy,0,-12.0205,-8.73,-4.08,-12.145403886207252
CCCCCCc1ccc(C(=O)N(CCCC)CC(=O)N2CCc3sccc3[C@H]2c2ccc(C)cc2)cc1,C35770612_decoy,PA2GA,Decoy,0,-11.4294,-7.24,-3.36,-8.401607544495443
CC[C@@H](C)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)C[C@@H](C)CC(C)(C)C,C35798663_decoy,PA2GA,Decoy,0,-11.0203,-7.98,-3.42,-10.995688926667516
CCCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)[C@@H](C)CC)cc1,C35798675_decoy,PA2GA,Decoy,0,-10.7731,-6.86,-3.82,-8.884379718300643
CCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)C[C@@H](C)CC(C)(C)C,C35798727_decoy,PA2GA,Decoy,0,-10.9084,-6.8,-1.82,-9.562524045856607
CCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C[C@@H]1CCCO1,C35798981_decoy,PA2GA,Decoy,0,-10.2755,-7.4,-3.53,-9.701602826102706
CCCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](CCCCC)C(=O)NC(C)(C)C,C36513912_decoy,PA2GA,Decoy,0,-8.60058,-7.23,-4.04,-8.298696823957297
CCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C(=O)NC(C)(C)CC(C)(C)C)C(CC)CC,C36570215_decoy,PA2GA,Decoy,0,-8.19803,-6.48,-2.94,-8.087851863367005
CCCCC[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])C(C)(C)C,C36585965_decoy,PA2GA,Decoy,0,-8.46759,-6.5,-4.57,-9.27745322148708
CCCCC/C=C\C/C=C\C/C=C\CCCCC(=O)Oc1ccc2ccc(=O)oc2c1,C38337286_decoy,PA2GA,Decoy,0,-9.59052,-7.55,-3.58,-8.119020529930562
C=C[C@](C)(CCC=C(C)C)OC(=O)c1ccccc1/N=C/C(=C/c1ccccc1)CCCCCC,C33955121_decoy,PA2GA,Decoy,0,-10.149,-8.28,-1.29,-10.157676818968069
CC(C)CC(=O)O[C@H](c1cccnc1)P(=O)(O[C@H]1C[C@@H](C(C)C)CC[C@@H]1C)O[C@@H]1C[C@H](C(C)C)CC[C@@H]1C,C33708191_decoy,PA2GA,Decoy,0,-9.73488,-7.74,-2.38,-9.7719325096888
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)CCCC)cc2)sc2cc(CCCC)ccc21,C39722070_decoy,PA2GA,Decoy,0,-10.4195,-6.66,-3.04,-11.819175680316416
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(OCc2ccccc2)c(OC)c1,C40026815_decoy,PA2GA,Decoy,0,-12.3372,-6.75,-4.59,-9.110128465949208
COc1cc(/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)ccc1OCc1ccc(C(C)(C)C)cc1,C40927766_decoy,PA2GA,Decoy,0,-14.3373,-7.79,-2.89,-14.604039657441753
CCOC(OCC)c1ccc(C[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,C44320402_decoy,PA2GA,Decoy,0,-11.4579,-7.84,-2.18,-9.457399109645314
CCCCc1ccc(/N=C(\SCC)N(Cc2ccc(OC)cc2)Cc2ccc(OC)cc2)cc1,C59283751_decoy,PA2GA,Decoy,0,-10.3755,-7.7,-1.51,-9.26090526474631
CC(C)CC(=O)O[C@@H](c1cccnc1)P(=O)(O[C@H]1C[C@@H](C(C)C)CC[C@@H]1C)O[C@@H]1C[C@@H](C(C)C)CC[C@@H]1C,C12524465_decoy,PA2GA,Decoy,0,-10.2953,-8.26,-2.76,-9.806490856734255
CCCCCCN(CCCCCC)CN1C(=O)/C(=N\c2ccc(C)cc2)c2ccccc21,C59377241_decoy,PA2GA,Decoy,0,-8.81317,-7.64,-2.92,-8.53102498307015
CCCCCCN(CCCCCC)CN1C(=O)/C(=N\c2ccc(-c3ccccc3)cc2)c2ccccc21,C59378965_decoy,PA2GA,Decoy,0,-9.87375,-8.0,-2.09,-8.745398340764309
COCCn1c(COc2ccccc2-c2ccccc2)nnc1SCCOCCC(C)C,C59738277_decoy,PA2GA,Decoy,0,-11.0228,-6.69,-1.81,-10.0733430292978
CC(C)CCCCCOC(=O)c1ccccc1SSc1ccccc1C(=O)OCCCCCC(C)C,C04409129_decoy,PA2GA,Decoy,0,-12.3527,-7.0,-3.64,-10.122474576674332
CC(C)CCCCCCCOC(=O)c1ccccc1C(=O)OCCCCCCCC(C)C,C04655189_decoy,PA2GA,Decoy,0,-11.5962,-7.71,-4.85,-9.879849783698695
CCCN(CCC)C(=O)CCN(CC(C)C)c1nc(Cc2ccc(C)cc2)ns1,C04779611_decoy,PA2GA,Decoy,0,-10.4201,-7.38,-2.35,-9.05883696784874
CCCC[C@@H](CC)CP(=O)(OC[C@@H](CC)CCCC)OC[C@@H](CC)CCCC,C04410230_decoy,PA2GA,Decoy,0,-8.86383,-5.69,-3.75,-8.457494660971326
CCCCN(Cc1cccn1Cc1cccc(C)c1)C(=O)CN(CCC)C(=O)c1ccccc1F,C16462517_decoy,PA2GA,Decoy,0,-11.2787,-7.98,-4.21,-10.263864003747576
CCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CCCCC1)C(=O)/C=C/c1ccccc1,C16463521_decoy,PA2GA,Decoy,0,-10.1889,-8.46,-4.54,-8.963350426543386
CCCCCc1ccc(C(=O)N(CCCOC)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)cc1,C16486956_decoy,PA2GA,Decoy,0,-11.0225,-8.31,-1.68,-16.113412975695848
CCCCc1ccc(C(=O)N(CCCOCC)CC(=O)N2CCc3sccc3[C@H]2c2ccccc2C)cc1,C16530523_decoy,PA2GA,Decoy,0,-9.67596,-7.72,-3.2,-8.570851283633042
CCCC[C@@H](CC)CN(C[C@H](CC)CCCC)C(=O)[C@H](C)OC(=O)[C@H](CC)CCCC,C16890108_decoy,PA2GA,Decoy,0,-9.43142,-5.41,-3.26,-8.320581494942266
CCCCOC(=O)CCCCCCC/C=C/[C@@H]1C=C[C@@H](CCCC)[C@H](C#N)[C@H]1C#N,C16951900_decoy,PA2GA,Decoy,0,-10.7009,-6.6,-3.11,-8.798760545658519
CCCCC/C=C\C/C=C\C/C=C\C/C=C\CCCC(=O)NC[C@@H](O)CC(=O)[O-],C27638827_decoy,PA2GA,Decoy,0,-12.3823,-7.1,-4.23,-10.239982516070985
CC(C)CC(C)(C)COC(=O)CSSSSCC(=O)OCC(C)(C)CC(C)C,C31374605_decoy,PA2GA,Decoy,0,-13.6144,-6.39,-1.41,-14.04944886459068
CC(C)CCCCCOC(=O)CCSCCC(=O)OCCCCCC(C)C,C05758434_decoy,PA2GA,Decoy,0,-11.5065,-6.33,-3.57,-9.956142033935343
CCCC[C@@H](CC)COC(=O)CSSCC(=O)OC[C@@H](CC)CCCC,C14982204_decoy,PA2GA,Decoy,0,-11.0121,-5.33,-3.69,-8.776321146710286
COc1cccc2c1OCC(/C=C1\SC(=S)N(CCCCCCCCCCC(=O)[O-])C1=O)=C2,C33515936_decoy,PA2GA,Decoy,0,-11.1385,-6.91,-3.32,-8.356210117505917
C=CCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(=O)C[C@@H](C)CC(C)(C)C,C33591794_decoy,PA2GA,Decoy,0,-8.87654,-7.63,-2.05,-7.874823902148515
CC[C@@H](C)CCCCCOC(=O)c1ccccc1C(=O)OCCCCC[C@H](C)CC,C33608882_decoy,PA2GA,Decoy,0,-10.7738,-7.35,-5.06,-10.823816441950528
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C(=O)C12CC3CC(CC(C3)C1)C2,C33709401_decoy,PA2GA,Decoy,0,-10.9946,-8.3,-1.97,-9.659362295556033
CC[C@@H](C)N(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)CCc1ccccc1,C34702682_decoy,PA2GA,Decoy,0,-8.95862,-8.5,-2.5,-8.964324749769558
CC[C@H](C)N(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)C[C@H](C)CC(C)(C)C,C34795538_decoy,PA2GA,Decoy,0,-11.4532,-6.76,-3.64,-9.31063251990174
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCCOc3ccccc3)N2[C@H]1c1ccccc1,C34922748_decoy,PA2GA,Decoy,0,-10.9242,-7.55,-2.79,-8.72630867749184
CCOc1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)C[C@@H](C)CC(C)(C)C)cc1,C34931510_decoy,PA2GA,Decoy,0,-9.29164,-8.15,-1.73,-9.345460325543767
CCCCCN(Cc1cccn1Cc1cccc(C(F)(F)F)c1)C(=O)CN(CC)C(=O)C(C)(C)C,C35336311_decoy,PA2GA,Decoy,0,-9.05819,-7.75,-3.3,-11.110338230811236
CC[C@@H](C)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)C[C@@H](C)CC(C)(C)C,C35336377_decoy,PA2GA,Decoy,0,-8.57071,-7.59,-2.63,-8.345967467335047
CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CCC)C(=O)C1CCCC1,C35753352_decoy,PA2GA,Decoy,0,-10.3234,-6.33,-3.58,-8.727181013018809
CCCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)C(C)C,C35765847_decoy,PA2GA,Decoy,0,-9.09849,-7.16,-1.32,-8.987370451474877
COc1ccc(CCN(Cc2sccc2C)C(=O)CN(CC(C)C)C(=O)C2CCCC2)cc1OC,C35773734_decoy,PA2GA,Decoy,0,-11.053,-7.43,-2.02,-9.63197668930902
CCCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2sccc2C)[C@H](C)CC)cc1,C35774752_decoy,PA2GA,Decoy,0,-10.0534,-8.34,-3.49,-9.482523785308796
CCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)C[C@H](C)CC)cc1,C35795369_decoy,PA2GA,Decoy,0,-10.1001,-8.46,-2.49,-9.402841220863188
CCCC[C@H](CC)C(=O)N(CCCOC)CC(=O)N(Cc1ccccc1)Cc1cccs1,C35797084_decoy,PA2GA,Decoy,0,-10.5138,-6.78,-2.6,-9.036621336348988
CCCCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)C2CC2)cc1,C35798519_decoy,PA2GA,Decoy,0,-10.3877,-7.15,-1.05,-8.638850131127336
CCCC[C@H](CC)C(=O)N(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C[C@@H]1CCCO1,C35798931_decoy,PA2GA,Decoy,0,-10.9289,-7.27,-3.59,-10.079768739950143
CCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)C(=O)CCc1ccccc1,C35808231_decoy,PA2GA,Decoy,0,-11.1946,-7.1,-2.6,-12.231144358201902
CCCC[C@H](CC)C(=O)N(CCCOC)CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C,C35808772_decoy,PA2GA,Decoy,0,-10.5042,-5.99,-4.56,-8.736720807733219
CCCCCCN(C(=O)c1cc([N+](=O)[O-])ccc1[O-])[C@@H](C(=O)NCCCC)c1ccc(O)cc1,C36513783_decoy,PA2GA,Decoy,0,-10.1898,-7.5,-3.28,-8.807353138022739
C/C=C/[C@@H](C(=O)NCCCC)N(CCCCCC)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36513909_decoy,PA2GA,Decoy,0,-8.82044,-6.88,-2.62,-8.94853337634918
CCC/C=C/[C@@H](C(=O)NCCCC)N(CCC)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36570191_decoy,PA2GA,Decoy,0,-9.0419,-7.19,-3.46,-10.456760254565127
CCCCC[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(CCC)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36570277_decoy,PA2GA,Decoy,0,-9.08222,-7.01,-3.26,-9.407988824032293
CCC/C=C/[C@H](C(=O)NCCCC)N(Cc1ccc(C)o1)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36596657_decoy,PA2GA,Decoy,0,-9.35914,-7.79,-2.92,-9.112998245867503
CC(=O)Oc1c(C)c(C)c2c(c1C)CC[C@@](C)(CCC[C@@H](C)CCC[C@@H](C)CCCC(C)C)O2,C03871496_decoy,PA2GA,Decoy,0,-10.9749,-8.27,-3.83,-8.581490087322717
C[C@H](CC(=O)OCC(C)(C)C[C@H](C)CCOC(=O)C[C@H](C)CC(C)(C)C)CC(C)(C)C,C38656393_decoy,PA2GA,Decoy,0,-9.42372,-7.41,-1.58,-8.673863309230455
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)SC1=S,C40006197_decoy,PA2GA,Decoy,0,-12.3628,-7.41,-2.98,-8.370599761568446
CCN(CC)c1ccc([C@@H]2C(C(=O)c3cccc(OCc4ccc(C)cc4)c3)=C([O-])C(=O)N2CCCO)cc1,C40054960_decoy,PA2GA,Decoy,0,-10.3112,-8.0,-3.06,-9.43736444785145
Cc1cc(OCC(C)C)ccc1C(=O)C1=C([O-])C(=O)N(CCO)[C@H]1c1cccc(OCCC(C)C)c1,C40084846_decoy,PA2GA,Decoy,0,-10.9293,-8.81,-3.57,-10.160935315744076
CCCCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCOC)cc1OCC,C39898300_decoy,PA2GA,Decoy,0,-10.6297,-8.18,-4.37,-12.184802934795812
CCCCCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCC)cc1OCC,C39898503_decoy,PA2GA,Decoy,0,-11.0069,-8.02,-3.64,-11.302519713412687
CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCCC)cc1OCC,C39898602_decoy,PA2GA,Decoy,0,-10.521,-7.95,-1.88,-10.86018838524016
CCOc1ccc(OCc2ccc(C[C@@H](NC(=O)OCC3c4ccccc4-c4ccccc43)C(=O)[O-])o2)cc1,C44322357_decoy,PA2GA,Decoy,0,-12.4591,-10.59,-2.29,-10.894001591628632
C[C@@H](CC[C@H](C)CC(C)(C)C)C[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C44326418_decoy,PA2GA,Decoy,0,-11.4422,-8.89,-4.37,-10.386535370901017
CCCN(CCC)c1ccc(C(=O)N/N=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)c(OC)c2)cc1,C59167137_decoy,PA2GA,Decoy,0,-10.1596,-8.63,-4.34,-8.589286067895912
CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)[C@@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C,C03846298_decoy,PA2GA,Decoy,0,-11.663,-8.23,-4.01,-11.363770916778554
CC(=O)[C@@H](C(=O)O[C@@H]1C[C@H](C)CC[C@@H]1C(C)C)C(C)[C@@H](C(C)=O)C(=O)O[C@@H]1C[C@H](C)CC[C@H]1C(C)C,C03846300_decoy,PA2GA,Decoy,0,-11.431,-8.49,-4.51,-11.923623030224874
O=C(OCCSc1sc(=O)sc1SCCOC(=O)c1ccccc1)c1ccccc1,C03214590_decoy,PA2GA,Decoy,0,-11.1689,-6.3,-3.04,-7.839687253835661
CCCCN(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CC1)C(=O)CC(C)(C)C,C04795853_decoy,PA2GA,Decoy,0,-9.21613,-7.64,-4.69,-9.069502392481064
CCCCCC(=O)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)[C@@H](C)CC,C04925435_decoy,PA2GA,Decoy,0,-9.71375,-7.01,-4.07,-8.997661369290922
CC(=O)CCCCCS/C=C\CCCCCCCC[C@]1(CC(=O)[O-])C[C@@H](C)CC[C@H]1C(C)C,C05225851_decoy,PA2GA,Decoy,0,-11.774,-6.05,-5.35,-7.375741126515438
COc1cc(OC)c(CSC[C@@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])c(OC)c1,C08665374_decoy,PA2GA,Decoy,0,-11.2481,-7.97,-3.83,-10.266970440707937
CCCc1nnc(SCc2ccc(Cl)cc2)n1/N=C/c1ccc(OCc2ccccc2)c(OCC)c1,C02610894_decoy,PA2GA,Decoy,0,-14.6339,-7.81,-2.87,-14.191473015239431
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(N(CCC)CCC)nc3ccccn3c2=O)SC1=S,C13513869_decoy,PA2GA,Decoy,0,-11.2917,-6.99,-2.75,-9.0183075291013
CCCCCc1ccc(C(=O)N(CCOC)[C@H](C)c2nc3ccccc3c(=O)n2Cc2ccccc2)cc1,C16424108_decoy,PA2GA,Decoy,0,-9.83679,-8.25,-2.82,-9.205091007555517
CC[C@@H](C)N(CC(=O)N(Cc1cccn1Cc1ccccc1Cl)CC(C)C)C(=O)CCc1ccccc1,C16458856_decoy,PA2GA,Decoy,0,-10.8763,-8.35,-3.39,-8.715565820918519
CCCC(=O)N(CCC(C)C)CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1,C16462032_decoy,PA2GA,Decoy,0,-10.2856,-7.66,-3.74,-11.264361833471144
CCCCCC(=O)N(CCCOCC)CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1,C16487021_decoy,PA2GA,Decoy,0,-9.88802,-6.85,-2.6,-9.577215185689251
COCCN(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)C[C@@H](C)CC(C)(C)C,C16498010_decoy,PA2GA,Decoy,0,-11.0256,-7.15,-3.93,-8.279798216618873
CCCCCCC(=O)N(CCCCC)CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1Cl,C16530728_decoy,PA2GA,Decoy,0,-10.994,-6.76,-3.35,-9.614813346104643
CCCN(CCC)c1cc(Cl)nc(SCC(=O)N(CCc2ccccc2)Cc2ccccc2)n1,C16611586_decoy,PA2GA,Decoy,0,-12.8233,-7.39,-4.51,-12.332983383130102
CCCC(CCC)=NOC(=O)O[C@H]1CC[C@]2(C)[C@H](CC[C@H]3[C@H]4CC[C@H]([C@@H](C)CCCC(C)C)[C@]4(C)CC[C@@H]32)C1,C33661878_decoy,PA2GA,Decoy,0,-11.1537,-8.04,-2.66,-8.793132808307698
CC[C@@H](C)N(CCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1nc(Cc2ccc(F)cc2)ns1,C33717192_decoy,PA2GA,Decoy,0,-11.9224,-8.37,-2.02,-10.55163894457404
CCCC[C@@H](CC)C(=O)N(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)CC(C)C,C33781956_decoy,PA2GA,Decoy,0,-11.477,-7.18,-2.38,-8.287449042126624
CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CCCC)C(=O)C(C)(C)C,C34714782_decoy,PA2GA,Decoy,0,-9.78066,-6.74,-4.98,-10.342890871861409
CCCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)CCC1CCCC1,C34859547_decoy,PA2GA,Decoy,0,-10.7028,-8.45,-3.26,-9.307669598865788
CCOc1ccc(CN(CCC(c2ccccc2)c2ccccc2)C(=O)C[C@H](C)CC(C)(C)C)cc1,C34931512_decoy,PA2GA,Decoy,0,-10.4332,-7.84,-3.83,-10.585599092929376
CCCN(CCC(=O)N(CCc1ccccc1)Cc1ccccc1)S(=O)(=O)c1ccc(C)cc1,C34943039_decoy,PA2GA,Decoy,0,-9.53716,-8.64,-2.66,-8.895899105100646
CCOC(=O)C1CCN(C(=O)CCN(C(=O)C[C@H](C)CC(C)(C)C)[C@H](C)c2ccccc2)CC1,C34968030_decoy,PA2GA,Decoy,0,-10.1183,-7.97,-3.41,-9.863637338931897
CCCC[C@H](CC)C(=O)N(CCc1ccccn1)[C@@H](CC)c1nc2ccccc2c(=O)n1CC,C35036441_decoy,PA2GA,Decoy,0,-9.39444,-7.47,-4.5,-9.1203939067752
CCCC[C@H](CC)C(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cccs1)C1CC1,C35146580_decoy,PA2GA,Decoy,0,-10.2234,-5.71,-1.57,-7.645695322649406
CC[C@H](C)N(CC(=O)N(Cc1cccn1C)CC(C)C)C(=O)C[C@H](C)CC(C)(C)C,C35336383_decoy,PA2GA,Decoy,0,-9.42268,-7.66,-1.78,-8.817677813116594
C=CCN(CC=C)c1cc(Cl)nc(SCc2cccc(C(=O)N(CCC)CCC)c2)n1,C35338235_decoy,PA2GA,Decoy,0,-11.9404,-6.35,-2.68,-9.096386874981055
CCCCCc1ccc(C(=O)N(CCC(C)C)[C@H](C)c2nc3ccccc3c(=O)n2-c2ccc(CC)cc2)cc1,C35689328_decoy,PA2GA,Decoy,0,-9.86873,-9.02,-3.72,-12.159364471661265
CCCCCCc1ccc(C(=O)N(CC(=O)N(CCCC)Cc2cccn2C)C(C)C)cc1,C33851679_decoy,PA2GA,Decoy,0,-9.32832,-7.37,-4.11,-9.260117464086322
CC[C@H](C)N(CC(=O)N(Cc1cccn1Cc1ccccc1Cl)CC(C)C)C(=O)CCC1CCCC1,C35752145_decoy,PA2GA,Decoy,0,-9.72828,-7.86,-1.55,-10.139319855381048
CCCCCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccccc1)C1CCCCC1)C(C)C,C35759320_decoy,PA2GA,Decoy,0,-10.1862,-7.85,-3.48,-10.510040868264136
CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)C[C@@H](C)CC(C)(C)C,C35774295_decoy,PA2GA,Decoy,0,-11.2376,-8.11,-4.6,-10.389652757014913
CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)c2cccc(C(F)(F)F)c2)cc1)C(=O)C[C@@H](C)CC(C)(C)C,C35776392_decoy,PA2GA,Decoy,0,-11.9956,-8.94,-3.89,-9.856930436856942
CCCCCCC(=O)N(CCCC)CC(=O)N(Cc1ccccc1)Cc1cccs1,C35795509_decoy,PA2GA,Decoy,0,-10.1012,-6.56,-1.95,-8.413975672261605
CCCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)C2CCCCC2)cc1,C35798588_decoy,PA2GA,Decoy,0,-10.9649,-7.86,-2.2,-9.145682024911538
COCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)C[C@@H](C)CC(C)(C)C,C35798777_decoy,PA2GA,Decoy,0,-11.2607,-7.39,-4.25,-11.0040045480331
CCCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(C)cc1,C35809397_decoy,PA2GA,Decoy,0,-9.05049,-8.32,-1.95,-9.240938385408098
CC(C)CN(CC(=O)OCc1ccccc1)Cc1cccn1Cc1ccc(C(F)(F)F)cc1,C35844671_decoy,PA2GA,Decoy,0,-9.90871,-8.97,-4.13,-10.7484984962826
CCC/C=C/[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(CCC)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36570189_decoy,PA2GA,Decoy,0,-9.35231,-7.52,-2.3,-9.332583658294896
CCC/C=C/[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccc(C)o1)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36596654_decoy,PA2GA,Decoy,0,-9.43443,-8.49,-2.6,-9.455619329938187
CCCCC[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccc(C)o1)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36596728_decoy,PA2GA,Decoy,0,-9.72451,-7.11,-4.42,-9.1454567875958
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(CCCC)ccc3n2CC=C)cc1,C39721862_decoy,PA2GA,Decoy,0,-11.4419,-6.2,-3.46,-7.755221308888001
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCc3ccccc3)c2)[C@H]1c1ccc(OCCC)c(OCC)c1,C40030030_decoy,PA2GA,Decoy,0,-10.9882,-7.88,-2.6,-12.503340999031575
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)cc2C)[C@@H]1c1ccc(OCC)c(OCC)c1,C40081937_decoy,PA2GA,Decoy,0,-11.4493,-7.63,-2.53,-14.125106486066748
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2C)[C@H]1c1ccc(OCC)c(OCC)c1,C40084583_decoy,PA2GA,Decoy,0,-8.44588,-6.32,-2.18,-6.433998156597803
CCOc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C([O-])C(=O)N2CCO)ccc1OCCC(C)C,C40084857_decoy,PA2GA,Decoy,0,-11.6963,-7.59,-2.15,-9.448629429971136
C=CCOc1ccc([C@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2CCCC)cc1OCC,C40098387_decoy,PA2GA,Decoy,0,-11.1088,-7.71,-2.07,-9.854150859794649
CCCCCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCOC)cc1OCC,C39898302_decoy,PA2GA,Decoy,0,-10.118,-6.72,-1.65,-9.070936303713738
CCCCCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCCOC(C)C)c1,C39899332_decoy,PA2GA,Decoy,0,-11.8499,-8.24,-1.67,-11.927916683717088
CCCCC[C@H](O)CC[C@@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-],C03870600_decoy,PA2GA,Decoy,0,-11.1853,-6.12,-1.65,-9.049690516225446
CC[C@]1(CCCCCCCCCCCCCCC(=O)[O-])OCC(C)(C)N1O,C04529065_decoy,PA2GA,Decoy,0,-10.4343,-6.23,-2.21,-8.35416569358663
O=C([O-])CCCCCCCCCO[C@@H](C[N+](=O)[O-])C(Cl)(Cl)Cl,C05437249_decoy,PA2GA,Decoy,0,-10.6813,-5.37,-2.68,-7.559919648501574
O=C([O-])CCCCCCCCCO[C@H](C[N+](=O)[O-])C(Cl)(Cl)Cl,C05501010_decoy,PA2GA,Decoy,0,-9.21222,-5.05,-2.33,-7.151016028082504
CCCCCC(=O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-],C12496032_decoy,PA2GA,Decoy,0,-9.93696,-6.7,-2.17,-7.241558117344583
CCCCCC(=O)CC[C@@H]1[C@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@H]1O,C12496925_decoy,PA2GA,Decoy,0,-12.3402,-7.5,-2.89,-13.178218097311646
CCCCC[C@H](O)/C=C/[C@H]1CCC(=O)[C@@H]1CCCCCCC(=O)N[C@@H](C(=O)[O-])[C@H](C)CC,C12659239_decoy,PA2GA,Decoy,0,-11.1551,-6.61,-2.16,-7.849851587781586
CCCOc1c(Cl)cc(/C=C/C(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1OCC,C13184702_decoy,PA2GA,Decoy,0,-10.5767,-6.0,-4.13,-7.017896167003523
CCCCCC[C@@H](C)NC(=O)CSc1nnc(CCC)n1CC(=O)[O-],C13219594_decoy,PA2GA,Decoy,0,-11.7897,-5.86,-2.18,-9.47637791630886
CCOc1cc(/C=C/C(=O)c2ccc(O[C@@H](C)C(=O)[O-])cc2)ccc1OCc1ccc(C(=O)OC)o1,C13365827_decoy,PA2GA,Decoy,0,-11.1889,-7.75,-2.28,-7.665731570499052
CCCCC[C@H](O)/C=C/[C@H]1O[C@H](O)C[C@H](O)[C@@H]1CCCCCCC(=O)[O-],C13523511_decoy,PA2GA,Decoy,0,-8.57982,-5.95,-2.42,-6.470505734492006
CCCCC[C@@H](O)/C=C/[C@H]1[C@@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-],C15111061_decoy,PA2GA,Decoy,0,-11.5878,-7.07,-1.64,-10.230517457870066
CC(C)(C)OC(=O)NCCCSC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C15722206_decoy,PA2GA,Decoy,0,-11.7585,-8.83,-2.33,-12.465541452938048
CC[C@@H]1C=C1C/C=C\C[C@H](O)/C=C/C=C/C/C=C\C/C=C\CCC(=O)[O-],C27643257_decoy,PA2GA,Decoy,0,-11.2428,-7.2,-2.29,-8.440389468448974
CCCCC[C@H](O)/C=C\C=C\C=C/C=C\[C@@H](O)[C@@H](O)CCCC(=O)[O-],C27644552_decoy,PA2GA,Decoy,0,-12.8137,-7.93,-4.75,-11.77527817577179
CCCC1([C@H](O)C/C=C/[C@H]2[C@H](O)CC(=O)[C@H]2CCCCCCC(=O)[O-])CCC1,C27644909_decoy,PA2GA,Decoy,0,-13.8201,-6.49,-1.68,-9.931161405721408
CC/C=C\C[C@H](O)/C=C/C=C/C=C\[C@@H](O)C/C=C\C/C=C\CCC(=O)[O-],C27645744_decoy,PA2GA,Decoy,0,-9.74622,-7.56,-3.02,-7.542283591787791
CCCCC[C@H]1O[C@@H]1C/C=C\C/C=C\C/C=C\CCC/C([O-])=N/S(C)(=O)=O,C27646456_decoy,PA2GA,Decoy,0,-10.1151,-6.44,-1.39,-10.654483457103188
CC(C)CCCCCOCC(COCCCCCC(C)C)OS(=O)(=O)[O-],C05758445_decoy,PA2GA,Decoy,0,-9.97464,-5.51,-3.15,-8.417765168141896
CCCCC[C@H](O)CC[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@H]1O,C33820484_decoy,PA2GA,Decoy,0,-12.7289,-6.82,-1.23,-11.56678343645023
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2CCOC)cc1OCC,C34920387_decoy,PA2GA,Decoy,0,-10.7278,-7.42,-2.08,-12.826196597896926
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2CCOC)cc1OCC,C34920389_decoy,PA2GA,Decoy,0,-9.47864,-7.14,-3.13,-11.332283150166647
C=CCOc1ccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2CCCOC)cc1OCC,C35443403_decoy,PA2GA,Decoy,0,-10.6985,-7.11,-2.63,-9.67457281877012
O=C([O-])CCCCCCCCCCCNC(=O)NC12CC3CC(CC(C3)C1)C2,C27645646_decoy,PA2GA,Decoy,0,-9.83961,-7.38,-1.25,-13.30049926810762
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCCCC)c2)[C@H]1c1ccc(OCCC(C)C)c(OC)c1,C40029676_decoy,PA2GA,Decoy,0,-10.5735,-7.66,-2.88,-10.285598348053028
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C([O-])C(=O)N2CCCO)cc1OC,C40048593_decoy,PA2GA,Decoy,0,-9.83247,-7.76,-1.71,-12.474966300794891
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@@H]2c2ccc(OCC=C)c(OCC)c2)cc1,C40053614_decoy,PA2GA,Decoy,0,-8.88541,-7.6,-3.1,-11.245284833894482
CCOc1cc([C@H]2C(C(=O)c3cccc(OC)c3)=C([O-])C(=O)N2CCCO)ccc1OCCC(C)C,C40053945_decoy,PA2GA,Decoy,0,-12.6688,-6.04,-3.06,-8.26082822998924
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@H]2c2cccc(OCCC(C)C)c2)c1,C40054255_decoy,PA2GA,Decoy,0,-12.7271,-6.69,-1.96,-9.687021808633949
C=CCOc1ccc([C@H]2C(C(=O)c3cccc(OCCCC)c3)=C([O-])C(=O)N2CCCO)cc1OC,C40054469_decoy,PA2GA,Decoy,0,-12.5661,-5.92,-4.46,-11.089158677590632
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C([O-])C(=O)N2CCOCCO)c1,C40080546_decoy,PA2GA,Decoy,0,-10.0743,-7.73,-3.1,-8.211715546655011
CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C([O-])C(=O)N2CCOCCO)c1,C40080554_decoy,PA2GA,Decoy,0,-9.693,-7.56,-3.05,-8.007547251806212
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C([O-])C(=O)N2CCO)cc1OCC,C40080824_decoy,PA2GA,Decoy,0,-11.6003,-6.53,-2.13,-9.954870381319909
CCCOc1cccc([C@H]2C(C(=O)c3ccc(OCCC)cc3C)=C([O-])C(=O)N2CCOCCO)c1,C40082170_decoy,PA2GA,Decoy,0,-11.2677,-7.81,-3.88,-9.742358057574744
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@H]2c2ccc(OCCC)c(OCC)c2)c(C)c1,C40082460_decoy,PA2GA,Decoy,0,-11.5821,-7.7,-2.38,-9.671984298266883
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C([O-])C(=O)N2CCOCCO)cc1,C40082951_decoy,PA2GA,Decoy,0,-12.0211,-6.06,-2.29,-8.142871162451987
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2cccc(OCCC)c2)c(C)c1,C40082975_decoy,PA2GA,Decoy,0,-11.2443,-7.78,-2.78,-10.205047028422095
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OCC=C)cc3C)=C([O-])C(=O)N2CCOCCO)c1,C40082979_decoy,PA2GA,Decoy,0,-11.9382,-8.26,-2.54,-13.417722267814474
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2ccc(N(CC)CC)cc2)c(C)c1,C40083049_decoy,PA2GA,Decoy,0,-10.3287,-7.62,-2.63,-10.61928366284291
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C([O-])C(=O)N2CCOCCO)cc1,C40084238_decoy,PA2GA,Decoy,0,-9.329,-7.78,-2.87,-8.076472665308561
C=CCOc1ccccc1[C@H]1C(C(=O)c2ccc(OCC(C)C)cc2C)=C([O-])C(=O)N1CCOCCO,C40084754_decoy,PA2GA,Decoy,0,-11.2271,-7.28,-4.14,-9.53350655393574
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C([O-])C(=O)N2CCOCCO)c1,C40093209_decoy,PA2GA,Decoy,0,-10.4668,-8.07,-3.2,-9.474614597583075
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C([O-])C(=O)N2CCO)cc1OCC,C40094022_decoy,PA2GA,Decoy,0,-12.2032,-7.74,-4.44,-10.360355571394129
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2ccc(N(CC)CC)cc2)c1,C40101256_decoy,PA2GA,Decoy,0,-10.7128,-7.97,-2.81,-10.572330689523133
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@H]2c2ccc(OCCC)c(OCC)c2)c1,C40102269_decoy,PA2GA,Decoy,0,-10.9174,-6.63,-1.73,-8.610708284347778
CCCCC[C@H](O)/C=C/[C@H]1O[C@@H](O)C[C@@H](O)[C@H]1CCCCCCC(=O)[O-],C43772615_decoy,PA2GA,Decoy,0,-9.69124,-7.08,-1.84,-8.618582719023076
CCCCC(CCCC)C[C@@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],C44321479_decoy,PA2GA,Decoy,0,-10.383,-6.13,,99.0
C=CCc1cc(/C=N\NC(=O)CC[C@H](O)c2ccccc2)cc(OC)c1OCc1ccc(C(=O)[O-])cc1,C58892119_decoy,PA2GA,Decoy,0,-10.1193,-8.63,-2.86,-8.385665043050412
CCCCCC(=O)/C=C/[C@@H]1[C@@H](CCCCCCC(=O)[O-])[C@H](O)C[C@@H]1O,C13517992_decoy,PA2GA,Decoy,0,-11.8813,-6.78,-3.04,-10.289756838691735
CCCCCC/C=C\CCCCCCCC(=O)OC[C@@H]1CC[P@](=O)([O-])O1,C64859250_decoy,PA2GA,Decoy,0,-10.5504,-5.7,-2.44,-10.49638960040916
CCCCCC(=O)CC[C@@H]1[C@@H](CC(=O)CCCCC(=O)[O-])[C@@H](O)C[C@@H]1O,C06778016_decoy,PA2GA,Decoy,0,-12.6965,-6.71,-2.48,-10.067418055232425
CCC(CC)(CC(=O)Nc1sc(C(=O)OC)c(C)c1C(=O)OC)C(=O)[O-],C10168617_decoy,PA2GA,Decoy,0,-11.2677,-7.36,-2.6,-11.561214914658322
CCN(CC)S(=O)(=O)c1ccc(NCc2ccc(OC(F)F)cc2)c(C(=O)[O-])c1,C13091629_decoy,PA2GA,Decoy,0,-9.23712,-7.42,-1.68,-7.748041359649247
CCOC(=O)c1ccc(S(=O)(=O)N[C@@H](CC(=O)[O-])c2ccc(OC)cc2)cc1,C13196027_decoy,PA2GA,Decoy,0,-10.0129,-7.38,-3.01,-8.699965206029578
CCCc1nnc(SCC(=O)Nc2ccc(C(=O)OC(C)C)cc2)n1CC(=O)[O-],C13203236_decoy,PA2GA,Decoy,0,-11.3786,-7.48,-2.42,-9.042472053138258
CCCc1nnc(SCC(=O)N[C@@H](C)CCCC(C)C)n1CC(=O)[O-],C13219587_decoy,PA2GA,Decoy,0,-12.0651,-6.94,-1.02,-12.264882508031192
Cc1ccc(-c2nnc(SCC(=O)N[C@@H](C)CCC(C)C)n2CCC(=O)[O-])cc1,C13219777_decoy,PA2GA,Decoy,0,-11.299,-7.79,-4.21,-9.15459342863477
Cc1cccc(-c2nnc(SCC(=O)N[C@@H](C)CCCC(C)C)n2CC(=O)[O-])c1,C13220443_decoy,PA2GA,Decoy,0,-12.1296,-7.97,-2.91,-9.04148613245288
CC[C@@H](C)[C@H](NC(=O)CSc1nnc(-c2ccc(C)cc2)n1CC(=O)[O-])C(=O)OC,C13220639_decoy,PA2GA,Decoy,0,-11.8913,-6.5,-2.96,-8.420530841194106
CCOC(=O)/C=C/c1ccc(NS(=O)(=O)c2cc(/C=C/C(=O)[O-])ccc2OC)cc1,C13278676_decoy,PA2GA,Decoy,0,-10.8395,-7.62,-4.35,-10.349278140444952
COc1ccc([C@@H](CC(=O)OC(C)C)NS(=O)(=O)c2ccc(C)c(C(=O)[O-])c2)cc1,C13313790_decoy,PA2GA,Decoy,0,-10.3152,-7.18,-3.97,-9.176098726153215
CCOC(=O)c1ccc(S(=O)(=O)N[C@H](CC(=O)[O-])c2ccc(OC)c(OC)c2)cc1,C13344457_decoy,PA2GA,Decoy,0,-9.85568,-7.2,-4.65,-8.84633411057385
COCCOc1cc(NC(=O)CSc2cc(C)ccc2C)c(C(=O)[O-])cc1OC,C13452874_decoy,PA2GA,Decoy,0,-9.48041,-7.43,-3.3,-10.760610956408836
COCCOc1cc(NC(=O)CCc2ccsc2)c(C(=O)[O-])cc1OC,C13453134_decoy,PA2GA,Decoy,0,-9.28071,-5.34,-2.73,-7.285005407096001
CCOC(=O)CSC1=C(C#N)[C@H](c2ccccc2OCC)C(C(=O)OCC)=C([O-])N1,C20057916_decoy,PA2GA,Decoy,0,-10.4506,-6.56,-2.03,-7.888753357086013
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2C(=O)NCCOC)cc1,C24347395_decoy,PA2GA,Decoy,0,-10.321,-7.3,-1.6,-9.597218645533337
C=CCn1c([S-])nc2cc(C(=O)NCCCCCC(=O)OC)ccc2c1=O,C24466933_decoy,PA2GA,Decoy,0,-10.9185,-7.44,,99.0
CC/C=C\C[C@H](O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-],C27639634_decoy,PA2GA,Decoy,0,-11.1725,-5.65,-2.06,-7.375419135855742
C[C@@H](O)CCC[C@H](O)CC[C@H]1[C@H](O)CC(=O)[C@@H]1CCCCCCC(=O)[O-],C27639759_decoy,PA2GA,Decoy,0,-10.4866,-6.88,-1.61,-8.282954504718047
CCCCC[C@@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)[O-])C(=O)C[C@@H]1O,C27640016_decoy,PA2GA,Decoy,0,-11.8372,-7.16,-2.17,-10.943990938968131
CCCCC[C@@](C)(O)/C=C/[C@H]1[C@H](O)CC(=O)[C@@H]1C/C=C\CCCC(=O)[O-],C27640192_decoy,PA2GA,Decoy,0,-11.4902,-6.49,-1.84,-9.42576030284
CCCCC[C@H](O)/C=C/[C@@H]1[C@@H](CCCC[C@@H](CC(=O)[O-])OC)[C@H](O)C[C@@H]1O,C27640500_decoy,PA2GA,Decoy,0,-11.5237,-7.37,-1.81,-11.557170750250684
CCCCC[C@H](O)CC[C@@H]1[C@@H](CC(=O)CCCCC(=O)[O-])[C@H](O)C[C@H]1O,C27640524_decoy,PA2GA,Decoy,0,-11.9619,-6.91,-2.02,-11.062278054959563
CC/C=C\C[C@H](O)/C=C/[C@@H]1[C@H](C/C=C\CCCC(=O)[O-])[C@H](O)C[C@@H]1O,C27642393_decoy,PA2GA,Decoy,0,-11.7107,-7.37,-1.35,-9.56129768238488
CCCCC[C@@H](O)/C=C/[C@H]1[C@H](C/C=C\CCCC(=O)[O-])[C@H](O)C[C@@H]1O,C27645725_decoy,PA2GA,Decoy,0,-11.1694,-6.8,-0.76,-9.45793680051312
CCCC(=O)Nc1ccc(C(=O)COC(=O)c2ccccc2[N-]S(C)(=O)=O)cc1,C32848148_decoy,PA2GA,Decoy,0,-11.2565,-6.55,-4.09,-10.238925489400351
CCCCC[C@@H](O)/C=C/[C@@H]1C(=O)C[C@@H](O)[C@H]1C/C=C/CCCC(=O)[O-],C33838891_decoy,PA2GA,Decoy,0,-10.3812,-6.99,-0.9,-8.512404689923956
C/C=C/[C@@H](C(=O)NCCCC)N(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36499810_decoy,PA2GA,Decoy,0,-8.21315,-7.77,,99.0
C/C=C\[C@@H](C(=O)NCCCC)N(CCC)C(=O)c1cc([N+](=O)[O-])ccc1[O-],C36570268_decoy,PA2GA,Decoy,0,-7.79183,-6.73,-1.91,-8.25198156400507
C[C@@H](O)C[C@@H]1CC[C@H]([C@@H](C)C(=O)O[C@@H](C)C[C@@H]2CC[C@H]([C@@H](C)C(=O)[O-])O2)O1,C35456112_decoy,PA2GA,Decoy,0,-11.192,-7.48,-3.07,-9.027065381176996
CCOC(=O)c1cc(C#N)c(SCC(=O)N[C@H](C)CCCC(C)C)nc1[O-],C12776199_decoy,PA2GA,Decoy,0,-11.1714,-5.14,-1.68,-6.464899190607701
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CCOCCO)c1,C40076278_decoy,PA2GA,Decoy,0,-10.5512,-7.66,-1.75,-10.532602858027191
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CCOCCO)c1,C40076279_decoy,PA2GA,Decoy,0,-10.1666,-6.77,-3.33,-8.652098026527383
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N[C@@H]2c2ccc(OCC=C)c(OC)c2)c1,C40126192_decoy,PA2GA,Decoy,0,-9.07037,-6.28,-1.99,-7.0737770180475055
CCCCNc1nccc(-c2cc(C(=O)NCCCc3cccnc3)c([O-])nn2)n1,C33969157_decoy,PA2GA,Decoy,0,-10.0663,-7.36,-2.51,-6.964699490743571
CCCCC[C@H](O)/C=C/[C@@H]1[C@H](O)CC(=O)[C@H]1C/C=C\CCCC(=O)[O-],C33985220_decoy,PA2GA,Decoy,0,-12.466,-6.24,-1.01,-10.324470618351508
CC/C=C/C[C@@H](O)/C=C/[C@@H]1[C@@H](C/C=C\CCCC(=O)[O-])[C@@H](O)C[C@@H]1O,C43772419_decoy,PA2GA,Decoy,0,-12.7029,-8.13,-1.17,-12.152990762978494
CCCc1nnc(S[C@@H](C)C(=O)c2[nH]c(C)c(C(=O)OCC)c2C)n1CC(=O)[O-],C13202728_decoy,PA2GA,Decoy,0,-10.3228,-7.71,-3.36,-7.970421309551789
O=C([O-])CCCNC(=O)CCCCCN1C(=O)/C(=C/c2cccs2)SC1=S,C15044874_decoy,PA2GA,Decoy,0,-10.4219,-7.1,-1.83,-11.897563334962324
COc1ccc(/C=C2\SC(=S)N([C@H](C)C(=O)NCCCCCC(=O)[O-])C2=O)cc1,C15048033_decoy,PA2GA,Decoy,0,-10.8056,-7.65,-3.22,-7.440925405864209
CCOc1ccc(/C=C/C([O-])=C(/C#N)C(=O)NCCCOC(C)C)cc1OC,C49218427_decoy,PA2GA,Decoy,0,-9.52659,-7.35,-1.3,-11.5683031798099
CCOc1cc(/C=C\C([O-])=C(\C#N)C(=O)NCCCOC(C)C)ccc1OC,C49218510_decoy,PA2GA,Decoy,0,-8.57253,-7.26,-2.57,-7.85680753731457
CCc1ccc(CC/C([O-])=C(/C#N)C(=O)NCCCOC(C)C)cc1,C49219011_decoy,PA2GA,Decoy,0,-8.55355,-7.48,-1.79,-7.828493878036094
CCCCCCN/C([O-])=C(\C#N)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1,C49223579_decoy,PA2GA,Decoy,0,-7.99956,-6.28,-3.73,-6.1833073079923775
CCCCN/C([O-])=C(\C#N)C(=O)c1cc(S(=O)(=O)N(CC)CC)ccc1C,C51007827_decoy,PA2GA,Decoy,0,-9.82211,-7.52,-4.24,-9.99049313749364
COc1ccc(CCNC(=O)/C(C#N)=C(/[O-])CCOCC(C)C)cc1,C51619228_decoy,PA2GA,Decoy,0,-8.94654,-6.41,-2.2,-7.629707668039378
CCOc1ccc([C@@H](O)CCC(=O)N/N=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)cc1,C58892763_decoy,PA2GA,Decoy,0,-11.4259,-7.71,-2.01,-8.262172868947713
COC(=O)CCCCCCNC(=O)c1cccc(-n2nc([O-])ccc2=O)c1,C61378091_decoy,PA2GA,Decoy,0,-8.39261,-6.42,-2.15,-7.255455908911695
CCCC[C@H](CC)C(=O)Nc1ccc([N-]S(=O)(=O)CCC)cc1,C64322619_decoy,PA2GA,Decoy,0,-9.02768,-6.55,-1.4,-9.059395528744869
CCCCCCN/C([O-])=C(\C#N)C(=O)[C@@H](C)NC(=O)OC(C)(C)C,C65649803_decoy,PA2GA,Decoy,0,-9.61478,-6.63,-0.89,-7.575077872853985
CCCOc1ccc(/C=C/C(=O)Oc2ccc(/C=C(\C#N)C(=O)OCC)cc2OCC)cc1OC,C04290891_decoy,PA2GA,Decoy,0,-9.52704,-6.79,-2.04,-6.458507632707639
CCO[C@]1(C)O[C@H]2O[C@@H](COCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H](OCc3ccccc3)[C@@H]2O1,C05371386_decoy,PA2GA,Decoy,0,-8.42363,-7.98,-3.09,-8.31365788229747
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(OCC)c3n2CCOC)cc1,C08958662_decoy,PA2GA,Decoy,0,-9.52043,-6.72,-1.58,-7.188837386791273
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CCOC)CCOC)cc2)sc2cc(CC)ccc21,C09275897_decoy,PA2GA,Decoy,0,-10.2177,-6.89,-4.16,-10.04514321428566
CC(C)CN(CC(C)C)C(=O)CSc1nnc(SCC(=O)N(CC(C)C)CC(C)C)s1,C09666615_decoy,PA2GA,Decoy,0,-12.1892,-5.99,-1.69,-8.337791155219653
CCOc1ccc2c(c1)s/c(=N\C(=O)c1cc(OCC)c(OCC)c(OCC)c1)n2CCOC,C09723788_decoy,PA2GA,Decoy,0,-10.2104,-5.58,-2.56,-6.989884721450761
C=CCN(CC=C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(OCC)c3n2CCOCC)cc1,C09765978_decoy,PA2GA,Decoy,0,-9.84204,-6.38,-2.91,-7.45757631500524
CCOc1cc(C(=O)N(C[C@H]2CCCO2)c2nc3c(OCC)cccc3s2)cc(OCC)c1OCC,C10877735_decoy,PA2GA,Decoy,0,-11.5712,-7.21,-3.39,-10.253702287368911
CCN(CC)S(=O)(=O)c1cccc(-c2nnc(SCC(=O)OC(C)(C)C)n2CC(C)C)c1,C11718055_decoy,PA2GA,Decoy,0,-12.2955,-6.35,,99.0
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(SCC(=O)N(CC(C)C)CC(C)C)n2CC,C12520226_decoy,PA2GA,Decoy,0,-9.6584,-6.34,-3.31,-6.798045261344332
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCOCCOc1ccccc1,C13892895_decoy,PA2GA,Decoy,0,-9.9409,-7.86,,99.0
CCCN(Cc1cccn1Cc1ccc(C(=O)N2CCC[C@H](C(=O)OCC)C2)o1)C(=O)CC(C)C,C16533932_decoy,PA2GA,Decoy,0,-10.1186,-6.62,-1.77,-7.953566142312441
Cc1ccc(CN(Cc2ccc3c(c2)OCO3)C(=O)CN(C[C@H]2CCCO2)C(=O)C[C@@H](C)CC(C)(C)C)o1,C16649939_decoy,PA2GA,Decoy,0,-10.2666,-8.98,-1.85,-10.46464212582109
CCCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccc3c(c2)OCO3)Cc2ccco2)C(C)C)cc1,C16652741_decoy,PA2GA,Decoy,0,-10.0952,-8.62,-2.57,-8.781879290957047
CCOC(=O)C1=CN(Cc2ccc(OC)cc2)C=C(C(=O)OCC)C1c1ccc(OC(F)(F)F)cc1,C02805675_decoy,PA2GA,Decoy,0,-9.59941,-8.18,-4.91,-13.658854966971042
COC(=O)CCCCCCC(=O)N1CCN(Cc2cc(=O)c(OCc3ccc(C(C)(C)C)cc3)co2)CC1,C22333340_decoy,PA2GA,Decoy,0,-11.6242,-8.78,-3.41,-10.047014256916778
COC(=O)CCCCC(=O)N1CCN(C[C@@H](OCc2c(F)cccc2F)c2ccc(Cl)cc2)CC1,C22668235_decoy,PA2GA,Decoy,0,-10.9082,-7.23,-3.52,-8.349403210957068
CCN(CCOC=O)c1ccc(/N=N/c2ccc(S(=O)(=O)OCC(F)(F)C(F)F)cc2)cc1,C25559729_decoy,PA2GA,Decoy,0,-10.9998,-7.04,-4.03,-7.52989578390028
CCCCN(CCCC)C(=O)CCCN(C)S(=O)(=O)c1ccc2c(c1)C(=O)c1ccccc1C2=O,C28295618_decoy,PA2GA,Decoy,0,-10.7518,-6.76,-4.39,-8.215094135944733
COCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)S(=O)(=O)c1ccc(C)cc1,C33400904_decoy,PA2GA,Decoy,0,-11.0117,-7.57,-4.3,-10.023641892806133
Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C[C@H]2CCCO2)C(=O)C[C@@H](C)CC(C)(C)C)o1,C33453604_decoy,PA2GA,Decoy,0,-9.61015,-8.05,-4.69,-8.200900719026087
CC[C@@H](C(=O)N(CCOC)CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cccs1)c1ccccc1,C33534482_decoy,PA2GA,Decoy,0,-9.2536,-7.11,-1.87,-8.455583500794575
COc1ccc(CCN(Cc2cccs2)C(=O)CN(C(=O)/C=C/c2ccccc2)C(C)C)cc1OC,C33792536_decoy,PA2GA,Decoy,0,-11.2931,-7.29,-4.64,-10.439336472558216
CCCN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1cccc(C(F)(F)F)c1,C34864013_decoy,PA2GA,Decoy,0,-11.2461,-7.2,-4.12,-8.908456599542738
CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)C(C)(C)C)CC1,C34909683_decoy,PA2GA,Decoy,0,-10.5173,-7.79,-1.91,-10.433639076813911
CCCCC(=O)N1CCC(N(Cc2cccc(F)c2)C(=O)CN(CCC)S(=O)(=O)c2ccccc2)CC1,C34909817_decoy,PA2GA,Decoy,0,-10.0132,-8.62,-3.77,-9.360957660029287
CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)C(=O)/C=C/c1ccc([N+](=O)[O-])cc1,C35152327_decoy,PA2GA,Decoy,0,-9.36299,-8.8,-3.26,-11.627981468810892
COc1ccc(CCN(C)C(=O)CCN(c2nc(Cc3ccc(C)cc3)ns2)C(C)C)cc1OC,C35178058_decoy,PA2GA,Decoy,0,-10.9274,-7.42,-4.79,-8.541834081570306
CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)C1CCCCC1,C35764812_decoy,PA2GA,Decoy,0,-9.68429,-8.2,-2.16,-16.148494872498816
CCCC[C@H](CC)C(=O)N(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)C[C@H]1CCCO1,C35765688_decoy,PA2GA,Decoy,0,-9.07214,-8.3,-3.35,-9.4576043122119
CCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2ccco2)C[C@@H]2CCCO2)cc1,C35767442_decoy,PA2GA,Decoy,0,-9.86044,-8.5,-2.98,-10.15125827923474
CCCCCc1ccc(C(=O)N(CC(=O)N(Cc2ccc3c(c2)OCO3)Cc2ccco2)CC(C)C)cc1,C35767504_decoy,PA2GA,Decoy,0,-9.548,-7.09,-2.35,-7.70365972752461
CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)c1cccs1,C35797774_decoy,PA2GA,Decoy,0,-11.8343,-7.6,-2.42,-9.812740555415164
COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)CC(C)(C)C,C35797987_decoy,PA2GA,Decoy,0,-10.7593,-6.73,-4.07,-10.026954588944898
COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(C[C@@H]2CCCO2)C(=O)CC(C)(C)C)cc1OC,C35798054_decoy,PA2GA,Decoy,0,-11.9715,-7.07,-3.3,-9.323159956077948
COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCC(C)C)C(=O)c2ccc(F)cc2)cc1OC,C35809052_decoy,PA2GA,Decoy,0,-10.3466,-8.28,-3.2,-10.5878798401564
CCOCCCN(CC(=O)c1c(C)c(C(=O)OCC)n(CC)c1C)C(=O)C12CC3CC(CC(C3)C1)C2,C35869039_decoy,PA2GA,Decoy,0,-10.9177,-8.25,-2.64,-12.176873072219696
CCOC(=O)c1c(C)c(C(=O)CN(Cc2ccco2)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c(C)n1CC,C35869505_decoy,PA2GA,Decoy,0,-9.64106,-7.23,-4.18,-7.9445555853146335
COc1ccc(OCCSc2nnc(COc3ccc(OC)cc3)n2-c2ccc(OC)cc2)cc1,C39743854_decoy,PA2GA,Decoy,0,-11.2649,-7.94,-1.47,-14.76528751048639
CCCOc1ccc([C@@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2CCCOC(C)C)cc1OCC,C40042753_decoy,PA2GA,Decoy,0,-10.1036,-7.16,-2.34,-8.111758144387029
CCOc1cc(/C=C2\SC(=S)N(CCCCCC(=O)OC)C2=O)cc(Br)c1OCC,C40928059_decoy,PA2GA,Decoy,0,-12.2237,-6.98,-2.12,-8.969830577951273
CCOc1cc(/C=C2/SC(=S)N(CCCCCC(=O)OC)C2=O)ccc1OCCC(C)C,C40928097_decoy,PA2GA,Decoy,0,-12.0301,-7.47,-3.21,-8.83418110592914
CCCCCOc1c(Br)cc(/C=C2\SC(=S)N(CCC(=O)OC)C2=O)cc1OCC,C40937887_decoy,PA2GA,Decoy,0,-11.4237,-6.18,-1.47,-7.392259880697466
CCCOC(=O)CCCN1C(=O)/C(=C\c2ccc(OCc3cc(C)c(C)cc3C)c(OC)c2)SC1=S,C40939001_decoy,PA2GA,Decoy,0,-12.5751,-8.35,-3.02,-11.239732560136003
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OC(C)C)c(OC)c2)c(OCC)c1,C40950624_decoy,PA2GA,Decoy,0,-9.73832,-7.96,-3.3,-7.3212302206664255
COC(=O)/C(C#N)=C/c1ccc(OC(=O)/C=C/c2ccc(OCCC(C)C)c(OC)c2)c(OC)c1,C40999862_decoy,PA2GA,Decoy,0,-10.179,-8.09,-2.53,-7.772433980671874
CCOC(=O)C1(C(=O)OCC)Cc2ccccc2-c2ccccc2CC1(C(=O)OCC)C(=O)OCC,C45070966_decoy,PA2GA,Decoy,0,-7.03032,-6.13,-2.93,-5.872045272626562
CCCn1c(CCC(=O)N(CC)CC(CC)CC)nc2cc(S(=O)(=O)N3CCCC3)ccc21,C58822032_decoy,PA2GA,Decoy,0,-10.9464,-7.07,-2.25,-8.325451405741253
C=CCc1cc(/C=C(/C#N)C(=O)N2CCN(c3ccccc3)CC2)cc(OCC)c1OCC(=O)OCC,C59333336_decoy,PA2GA,Decoy,0,-9.8579,-7.85,-4.29,-8.80843541336626
CCOc1ccc(CN(Cc2ccco2)[C@@H](c2ccc(C(F)(F)F)cc2)c2nnnn2CCOC)cc1,C13561917_decoy,PA2GA,Decoy,0,-12.2508,-8.27,-2.88,-12.318997131059248
COc1ccc(CCNC(=O)CCCSc2nc(-c3ccco3)cc(C(F)(F)F)n2)cc1OC,C08442761_decoy,PA2GA,Decoy,0,-12.6611,-8.65,-1.16,-10.617560385488297
CCOC(=O)COc1c(Br)cc(/C=N/NC(=O)COc2ccc(C)cc2)cc1OCC,C08452374_decoy,PA2GA,Decoy,0,-10.6122,-6.36,-1.78,-7.296540717181653
O=C(CCCCCn1c(SCC(=O)c2ccccc2)nc2ccccc2c1=O)NC[C@H]1CCCO1,C09472519_decoy,PA2GA,Decoy,0,-10.8914,-8.85,-3.57,-9.021947460814555
CCN(c1ccc(NC(=O)COC(=O)Cc2csc(-c3ccc(OC)c(OC)c3)n2)cc1)C(C)C,C10245585_decoy,PA2GA,Decoy,0,-11.6658,-7.81,-2.62,-8.909688584709128
CCOC(=O)[C@@H](CSCCCN1C(=O)c2ccccc2C1=O)NS(=O)(=O)c1ccc(Cl)cc1Cl,C12859016_decoy,PA2GA,Decoy,0,-11.3985,-7.76,-2.97,-9.26397575465282
COCCCNC(=O)COc1ccc(N(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,C13585594_decoy,PA2GA,Decoy,0,-9.64542,-7.76,-2.16,-7.57118259347848
C=CCn1c(SCC(=O)Nc2nc(CC(=O)OCC)cs2)nnc1-c1ccc(C(C)(C)C)cc1,C14101654_decoy,PA2GA,Decoy,0,-13.0566,-8.35,-1.39,-10.697535924125466
CCOc1ccc2[nH]c(=O)c(CN(CCc3cccc(C)c3)Cc3nnnn3CCc3ccccc3)cc2c1,C13494293_decoy,PA2GA,Decoy,0,-10.3294,-9.24,-2.12,-11.416812464418406
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C([O-])C(=O)N2CCC[NH+](C)C)cc1,C20129983_decoy,PA2GA,Decoy,0,-10.9092,-6.12,-1.47,-7.392156473236961
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2C)[C@H]1c1cccc([N+](=O)[O-])c1,C20130756_decoy,PA2GA,Decoy,0,-8.22382,-7.81,-3.33,-7.569278050586002
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2)[C@@H]1c1ccc(OC(C)C)cc1,C20219465_decoy,PA2GA,Decoy,0,-9.89654,-7.89,-3.0,-8.123632316755824
CCOc1ccc(N(CC(=O)NCCc2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1,C20235713_decoy,PA2GA,Decoy,0,-11.1022,-8.78,-1.3,-9.702070626236967
CCCOc1ccc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@@H](C)C3)cc1,C04766917_decoy,PA2GA,Decoy,0,-9.1589,-5.38,-3.58,-6.465477400789867
CCOc1ccc(N(CC(=O)NCc2ccc(OC(C)C)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1,C22322297_decoy,PA2GA,Decoy,0,-10.9409,-8.14,-2.68,-12.360499082622365
CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1,C22322631_decoy,PA2GA,Decoy,0,-9.41599,-7.61,-3.0,-8.35004273637188
CCOc1ccc(N(CC(=O)NCCCOC2CCCC2)S(=O)(=O)c2ccc(Cl)cc2)cc1,C22345452_decoy,PA2GA,Decoy,0,-10.5141,-6.89,-2.02,-10.260297602291722
COc1ccc(OC[C@@H](C)NC(=O)CN(c2ccc(OC)c(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1,C22431394_decoy,PA2GA,Decoy,0,-10.7257,-8.44,-3.27,-9.693762752354989
CCOc1ccc([C@@H]2C(C(=O)c3cc4cc(C)ccc4o3)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1OC,C33515684_decoy,PA2GA,Decoy,0,-10.1771,-6.69,-4.46,-7.665387706357367
COc1cccc2cc(C(=O)C3=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]3c3cccc(OCCC(C)C)c3)oc12,C33522782_decoy,PA2GA,Decoy,0,-10.2815,-8.48,-3.56,-9.705574814702116
CCCOc1ccc([C@H]2C(C(=O)OCCOC(C)C)=C(C)NC3=C2C(=O)[C@@H](C(=O)OC)[C@H](C)C3)cc1,C04766923_decoy,PA2GA,Decoy,0,-8.97598,-5.08,-1.66,-6.062742633734596
CCc1ccccc1NC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C1CC1,C34795542_decoy,PA2GA,Decoy,0,-11.4086,-7.65,-3.36,-10.373120736821855
CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2CCC[NH+](C)C)ccc1OCc1ccccc1,C35299700_decoy,PA2GA,Decoy,0,-10.82,-8.56,-3.86,-10.276835869311826
COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)cc1)C(=O)c1ccccc1F,C35393358_decoy,PA2GA,Decoy,0,-9.57478,-9.16,-2.42,-10.367852909280153
CCCC[C@H](CC)C(=O)N1CCN(C(=O)[C@H](NC(=O)/C=C/c2ccc([N+](=O)[O-])cc2)[C@@H](C)CC)C[C@@H]1C,C35688239_decoy,PA2GA,Decoy,0,-8.77221,-5.98,-3.5,-6.814748810841268
CCCOCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@@H]1c1ccccc1OC(C)C,C35898311_decoy,PA2GA,Decoy,0,-10.0775,-7.38,-2.5,-8.948006213647675
C/C=C/[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccco1)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1,C36494070_decoy,PA2GA,Decoy,0,-9.01912,-8.68,-4.18,-9.138729420342164
C/C=C/[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccco1)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1,C36494072_decoy,PA2GA,Decoy,0,-9.68188,-7.72,-3.35,-9.858880770253156
CCCCC[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccco1)C(=O)c1cccc(Cl)c1,C36499142_decoy,PA2GA,Decoy,0,-10.0442,-8.53,-3.28,-9.67723331619124
CCCCC[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccco1)C(=O)c1ccccc1,C36502588_decoy,PA2GA,Decoy,0,-9.88906,-8.61,-5.56,-11.115743338663796
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccco1)C(=O)Cc1ccccc1,C36506740_decoy,PA2GA,Decoy,0,-9.33018,-6.4,-1.69,-7.157517525743263
CCCCC/C=C\C(=O)N(C)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1,C36526459_decoy,PA2GA,Decoy,0,-9.3349,-8.34,-3.65,-10.857077940163208
CCCN(C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccco1,C36560055_decoy,PA2GA,Decoy,0,-9.56691,-7.47,-3.46,-8.822053455268449
CCCN(C(=O)CCC1CCCCC1)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(N(C)C)cc1,C36562855_decoy,PA2GA,Decoy,0,-10.9962,-7.77,-2.78,-8.839268097665204
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCC)C(=O)Cc1ccc2c(c1)OCO2,C36572876_decoy,PA2GA,Decoy,0,-10.7433,-7.69,-3.23,-8.7205120548783
CCCN(C(=O)Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(OC)c(OC)c1,C36572933_decoy,PA2GA,Decoy,0,-10.2385,-7.66,-2.27,-10.135499623720325
CCCN(C(=O)c1cccc([N+](=O)[O-])c1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C(CC)CC,C36576156_decoy,PA2GA,Decoy,0,-9.02149,-7.33,-3.62,-7.260852530730548
COc1ccc(CCC(=O)N(Cc2ccc(C)o2)[C@H](C(=O)NC(C)(C)C)c2ccc(OC)c(OC)c2)cc1,C36598084_decoy,PA2GA,Decoy,0,-9.96525,-7.14,-4.65,-9.429354698639596
CCCCCC(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccco1,C36600748_decoy,PA2GA,Decoy,0,-9.89972,-6.56,-3.66,-8.233532182654955
CCCCCC(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1,C36600837_decoy,PA2GA,Decoy,0,-9.47182,-8.39,-3.37,-10.88769989399816
CCN(CC)c1ccc(CN(CC(C)C)C(=O)C2CCC2)c(OS(=O)(=O)c2ccc(NC(C)=O)cc2)c1,C37422500_decoy,PA2GA,Decoy,0,-10.0593,-7.93,-4.29,-10.205539017043645
CCN(CC)S(=O)(=O)c1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C)n2CC)cc1,C39967396_decoy,PA2GA,Decoy,0,-12.7403,-8.79,-2.36,-9.183520370727386
C=CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1,C40004118_decoy,PA2GA,Decoy,0,-11.7643,-7.56,-3.78,-9.865758462731746
COc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(CC(C)C)C(=O)[C@@H](C)Cl)cc1OC,C35350398_decoy,PA2GA,Decoy,0,-9.71606,-7.26,-3.27,-8.760540865583959
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1cc(C)ccc1C(C)C,C40929337_decoy,PA2GA,Decoy,0,-10.5318,-8.22,-2.11,-9.894618714573973
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)COc1ccc(-c2ccccc2)cc1,C40934376_decoy,PA2GA,Decoy,0,-10.9954,-9.8,-2.17,-13.92665771379351
COC(=O)CCCCCCNC(=O)c1ccc(N2CCCCC2)c(S(=O)(=O)N2CCCCC2)c1,C46685907_decoy,PA2GA,Decoy,0,-12.63,-7.11,-1.46,-9.187322004374634
N#Cc1ccc(OCCOC(=O)c2cccnc2SCC(=O)Nc2ccccc2OC(F)F)cc1,C49574644_decoy,PA2GA,Decoy,0,-10.8233,-8.44,-3.96,-8.466310966683896
CC[NH+](CC)c1ccc([C@H]2C(C(=O)CC(C)C)=C([O-])C(=O)N2CCc2ccc(OC)c(OC)c2)cc1,C54143217_decoy,PA2GA,Decoy,0,-8.98209,-7.26,-1.75,-12.465544168446932
COc1ccc(CN(Cc2ccc(OC)c(OC)c2OC)C(=S)Nc2cc(C)ccc2OC)cc1,C33785751_decoy,PA2GA,Decoy,0,-10.3088,-6.77,-1.25,-9.717860352118189
C=CCOc1ccc(/C=N/NC(=O)CN(c2cccc(OC)c2)S(=O)(=O)c2ccc(C)cc2)cc1OC,C59401592_decoy,PA2GA,Decoy,0,-10.9657,-7.35,-2.07,-7.527256671898733
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)COc3ccccc3OC)cc2OCC)cc1,C04330112_decoy,PA2GA,Decoy,0,-10.1359,-8.08,-1.38,-7.859841717804017
C=CCOc1ccc(/C=C2\SC(Nc3ccc(OCC)cc3)=C(C(=O)OCC)C2=O)cc1OCC,C08438465_decoy,PA2GA,Decoy,0,-11.534,-6.67,-2.5,-9.387185150865411
CCOCCn1/c(=N/C(=O)c2cc(OCC)c(OCC)c(OCC)c2)sc2cc(OCC)ccc21,C08999082_decoy,PA2GA,Decoy,0,-10.6493,-6.75,-2.63,-8.78842205555089
CCCCOc1ccc(/C=C/C(=O)OCc2nc3c(c(=O)[nH]c(=O)n3CCCC)n2C)cc1OCC,C09646783_decoy,PA2GA,Decoy,0,-9.11077,-8.25,-1.21,-6.989162935776962
CCCCc1cc(=O)oc2cc(C)cc(OC(=O)CCCCCNS(=O)(=O)c3ccc(C)cc3)c12,C11865482_decoy,PA2GA,Decoy,0,-11.1076,-8.16,-1.86,-12.59122902422865
CCCOc1ccc(/C=N/Nc2ccc(S(=O)(=O)N(CC)CC)cc2[N+](=O)[O-])c(OCCC)c1,C12555508_decoy,PA2GA,Decoy,0,-10.4407,-7.34,-4.81,-8.88958910686694
CCC(CC)NC(=O)CSc1nnc(-c2cccc(S(=O)(=O)N(CC)CC)c2)n1CC(C)C,C15089257_decoy,PA2GA,Decoy,0,-13.4574,-6.77,-3.26,-9.623090258510116
CCOC(=O)CCC(=O)N(CCC(C)C)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(CC)cc1,C16430100_decoy,PA2GA,Decoy,0,-8.80937,-7.95,-3.63,-9.201285666720764
C=CCn1c(CSCc2ccccc2F)nnc1SCC(=O)Nc1cccc(C(=O)OCC)c1,C16448745_decoy,PA2GA,Decoy,0,-13.5618,-8.46,-3.02,-11.119350080905525
CCCOCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@H]1c1ccc(OCCC)cc1,C19723381_decoy,PA2GA,Decoy,0,-9.48134,-7.21,-3.6,-8.309039926394634
CCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1OCC,C20280613_decoy,PA2GA,Decoy,0,-8.93388,-7.08,-3.33,-7.883659675053732
CCCOc1ccc(/C=C/C(=O)OCc2csc(CC(=O)Nc3ccc(C)cc3)n2)cc1OCC,C22155020_decoy,PA2GA,Decoy,0,-10.8106,-7.45,-4.09,-10.034775090438163
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3C)=C([O-])C(=O)N2CC[NH+](CC)CC)cc1,C33375239_decoy,PA2GA,Decoy,0,-8.75477,-5.63,-4.3,-6.389356187819017
COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)NC1CCCCC1,C33552505_decoy,PA2GA,Decoy,0,-11.9957,-7.4,-2.42,-9.89231267481754
COc1ccc(CCN(Cc2ccco2)C(=O)CN(CC(C)C)C(=O)CCC2CCCC2)cc1OC,C33575550_decoy,PA2GA,Decoy,0,-10.2287,-7.39,-3.27,-9.340370245944005
C=CCN(CC=C)c1cc(Cl)nc(SCc2cccc(C(=O)NCCCN3CCOCC3)c2)n1,C33667201_decoy,PA2GA,Decoy,0,-11.4379,-8.98,-3.58,-10.023452613503997
CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)C(C)(C)CCl,C33713996_decoy,PA2GA,Decoy,0,-10.6914,-6.42,-2.9,-8.474366595569142
C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)C(C)(C)CCl,C33730438_decoy,PA2GA,Decoy,0,-10.129,-6.53,-3.16,-8.920647604318946
CCOCCCN(CC(=O)N(CCc1ccccc1)Cc1ccc(C)o1)C(=O)c1ccc(Cl)cc1,C33789475_decoy,PA2GA,Decoy,0,-9.55895,-7.13,-5.43,-8.507585401761405
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)Nc1ccccc1CC,C35085612_decoy,PA2GA,Decoy,0,-10.2507,-7.31,-4.26,-9.099072668980462
COCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1C)C(=O)C[C@@H](C)CC(C)(C)C,C35142847_decoy,PA2GA,Decoy,0,-10.1424,-6.9,-3.84,-9.589998259628464
CCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(CC(C)C)C(=O)CC(C)(C)C)cc1,C35350834_decoy,PA2GA,Decoy,0,-9.3799,-7.22,-2.93,-8.78029201636752
CCNC(=O)c1ccc(CSc2nc(COC)cc(N(C)CCc3ccc(OC)c(OC)c3)n2)o1,C35667928_decoy,PA2GA,Decoy,0,-11.1805,-7.07,-1.63,-10.247947509721014
CCCCCc1ccc(C(=O)N(CCC)CC(=O)N(Cc2ccc3c(c2)OCO3)Cc2ccco2)cc1,C35767602_decoy,PA2GA,Decoy,0,-10.1241,-6.92,-2.46,-7.696298162292232
CCCCNC(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)CC(C)C,C35775318_decoy,PA2GA,Decoy,0,-10.5817,-7.03,-2.67,-9.366167124704525
CCCC[C@H](CC)C(=O)Nc1ccc(-n2nc(OCCOC)nc2-c2ccc(C(F)(F)F)cc2)cc1,C35777580_decoy,PA2GA,Decoy,0,-10.1714,-7.56,-1.61,-7.965904395732636
CCCCCC(=O)N(C1CCCCC1)[C@@H](CCCCC)C(=O)NCS(=O)(=O)c1ccc(C)cc1,C36490321_decoy,PA2GA,Decoy,0,-10.6534,-7.46,-2.06,-9.857292020276828
CCCC[C@@H](CC)C(=O)N(Cc1ccco1)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C1CCCCC1,C36496256_decoy,PA2GA,Decoy,0,-10.4854,-8.59,-2.88,-10.48875706182162
CCCCCCN(C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1)[C@H](C(=O)NC1CCCCC1)C(CC)CC,C36511564_decoy,PA2GA,Decoy,0,-9.49511,-5.92,-2.96,-5.039811133064215
C/C=C\[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(CCCCCC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,C36511586_decoy,PA2GA,Decoy,0,-7.82624,-7.89,-2.97,-8.37782444905248
C/C=C/[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(CCCCCC)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,C36511587_decoy,PA2GA,Decoy,0,-8.01749,-6.91,-2.98,-7.801376831962727
C/C=C\[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccc(C)o1)C(=O)/C=C/CCCCC,C36557626_decoy,PA2GA,Decoy,0,-10.5267,-8.57,-3.85,-12.3394019391391
CCCC[C@@H](CC)C(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccco1,C36558138_decoy,PA2GA,Decoy,0,-9.43773,-8.16,-2.66,-11.076151334532284
CCCCC[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCC)C(=O)CCC1CCCCC1,C36562790_decoy,PA2GA,Decoy,0,-10.3237,-7.55,-3.47,-9.53302695445454
CCCC[C@@H](CC)C(=O)N(CCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccccc1C,C36564391_decoy,PA2GA,Decoy,0,-8.73919,-6.55,-3.96,-8.220981898239192
CCCC[C@H](CC)C(=O)N(CCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1,C36565029_decoy,PA2GA,Decoy,0,-9.33162,-8.26,-2.35,-8.596790290550379
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCC)C(=O)C[C@H](C)c1ccccc1,C36572490_decoy,PA2GA,Decoy,0,-10.5514,-8.64,-2.64,-10.312524133758036
CCCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(Cc1ccc(C)o1)C(=O)CCc1ccc(OC)cc1,C36598134_decoy,PA2GA,Decoy,0,-9.36103,-7.71,-2.08,-8.668009901833694
CCCCC[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccc(C)o1)C(=O)Cc1ccc2c(c1)OCO2,C36598955_decoy,PA2GA,Decoy,0,-10.4013,-7.84,-2.79,-9.609528898342864
CCCCCC(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1,C36600777_decoy,PA2GA,Decoy,0,-9.33977,-8.43,-1.62,-15.753771361557869
CC[C@@H](C)N(Cc1ccc(N(CC)CC)cc1OS(=O)(=O)c1ccc(OC)cc1)C(=O)CC(C)C,C37423671_decoy,PA2GA,Decoy,0,-10.3762,-7.55,-1.95,-9.247268655238098
CCCC[C@H](CC)COc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)cc1,C39842824_decoy,PA2GA,Decoy,0,-11.1011,-8.19,-0.79,-17.01987544925238
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@H]1c1cccc([N+](=O)[O-])c1,C40018709_decoy,PA2GA,Decoy,0,-11.3248,-7.01,-3.66,-10.146574977780988
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@H]1c1ccc(C(C)(C)C)cc1,C40018843_decoy,PA2GA,Decoy,0,-11.0065,-7.17,-1.9,-9.956844780171052
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@@H]1c1ccc([N+](=O)[O-])cc1,C40018966_decoy,PA2GA,Decoy,0,-9.72283,-6.81,-2.41,-8.65356041460949
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(N(C)C)cc1,C40019160_decoy,PA2GA,Decoy,0,-10.454,-7.04,-2.15,-7.954367737032416
COCCCNC(=O)c1cc2ccc(OC(=O)CCCOc3ccc(C(C)(C)C)cc3)cc2oc1=O,C40897006_decoy,PA2GA,Decoy,0,-9.93382,-8.14,-1.95,-8.154686945208065
C=CCn1c(SCC(=O)Nc2ccc(CCCC)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1,C40978263_decoy,PA2GA,Decoy,0,-12.961,-8.18,-3.5,-18.993997820453025
CCCC[C@@H](CC)CNC(=O)c1cc(-c2csc(C(=O)OCC)n2)n(CCC2=CCCCC2)c1C,C33897806_decoy,PA2GA,Decoy,0,-11.5052,-7.46,-1.68,-8.88225430228918
CCOc1ccc(C[C@H](CNC(=O)/C=C/c2ccccc2OCc2csc(C)n2)C(=O)OC)cc1,C62588273_decoy,PA2GA,Decoy,0,-11.1575,-8.87,-2.97,-8.939331514578686
CCOC(=O)c1c(NC(=O)COC(=O)c2cc(OCC)c(OCC)c(OCC)c2)sc2c1CC[C@@H](C)C2,C08766404_decoy,PA2GA,Decoy,0,-11.9597,-7.87,-2.35,-8.733026121385622
C[C@@H](OC(=O)c1ccc(NC(=O)CCCC(=O)OCC(=O)c2ccc(F)cc2)cc1)C(=O)c1ccccc1,C09445888_decoy,PA2GA,Decoy,0,-10.0944,-8.96,-3.47,-9.76987161393201
CCCCCCc1ccc(OCCOc2c(Br)cc(/C=N/n3cnnc3)cc2OCC)cc1,C13899096_decoy,PA2GA,Decoy,0,-10.005,-7.66,-4.14,-9.859330012480005
CCOC(=O)CCC(=O)N(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1)CC(C)C,C16458189_decoy,PA2GA,Decoy,0,-10.4639,-7.79,-1.42,-11.00816509760588
CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CCCOC)C(=O)C(C)(C)C,C16462802_decoy,PA2GA,Decoy,0,-9.47979,-6.98,-2.74,-8.70931869013458
COCCN(CCC(=O)N(CCc1ccccc1)Cc1ccccc1)c1nc(Cc2ccc(F)cc2)ns1,C16499325_decoy,PA2GA,Decoy,0,-10.1102,-8.09,-4.39,-9.68801659261098
COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)C(=O)C[C@H](C)CC(C)(C)C,C16648866_decoy,PA2GA,Decoy,0,-9.18732,-7.37,-2.55,-7.5497889590709555
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1,C20219752_decoy,PA2GA,Decoy,0,-10.3882,-7.78,-2.82,-9.14060795700092
CCCN1CCCc2cc(CN(CCCN3CCOCC3)C(=S)Nc3ccc(C(=O)OCC)cc3)ccc21,C20731575_decoy,PA2GA,Decoy,0,-11.3385,-7.36,-2.49,-8.810596240433426
CC(C)(C)C(=O)OC[C@@H](O)[C@@H]1O[C@@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@@H]1OC(=O)C(C)(C)C,C22066916_decoy,PA2GA,Decoy,0,-8.89954,-7.27,-1.65,-9.847399917395784
CCCCc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2cccs2)C2CC2)cc1,C33605958_decoy,PA2GA,Decoy,0,-12.2348,-8.73,-2.63,-10.545473727200545
COc1ccc(CCN(Cc2cccs2)C(=O)CN(CC(C)C)C(=O)CCC2CCCC2)cc1OC,C33759741_decoy,PA2GA,Decoy,0,-12.152,-6.85,-1.44,-14.385318234720614
CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2CC[NH+](CC)CC)ccc1OCCC(C)C,C34941022_decoy,PA2GA,Decoy,0,-9.27478,-7.89,-2.44,-10.635685703228686
CC[C@@H](C)N(CCC(=O)Nc1nnc(-c2cc(OC)c(OC)c(OC)c2)s1)C(=O)C[C@@H](C)CC(C)(C)C,C35156110_decoy,PA2GA,Decoy,0,-11.3962,-7.9,-2.05,-12.350433111874011
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1,C35164499_decoy,PA2GA,Decoy,0,-10.96,-8.08,-4.45,-10.103179552697252
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(OCCC(C)C)c(OC)c2)c1,C35295827_decoy,PA2GA,Decoy,0,-11.1894,-6.17,-3.78,-8.096572269129453
CCCN(CCC)C(=O)c1csc(CN(CCc2ccc(OC)c(OC)c2)Cc2ccc(C)cc2)n1,C35404660_decoy,PA2GA,Decoy,0,-10.0225,-6.99,-3.25,-8.960342057013376
CCOCCCN(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1)C(=O)CC(C)C,C35746880_decoy,PA2GA,Decoy,0,-9.66361,-7.87,-4.11,-10.40219061121498
CC[C@@H](C(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)[C@@H](C)CC)c1ccccc1,C35796043_decoy,PA2GA,Decoy,0,-10.3835,-7.09,-2.16,-8.882968570607835
CCCC[C@@H](CC)C(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CC(C)C)S(=O)(=O)CC)CC1,C35958159_decoy,PA2GA,Decoy,0,-10.779,-7.83,-2.95,-10.659315718641194
CCCC[C@H](CC)C(=O)N1CCC(N(Cc2ccc(C)cc2)C(=O)CN(CC(C)C)S(=O)(=O)CC)CC1,C35958160_decoy,PA2GA,Decoy,0,-10.0684,-7.81,-3.28,-8.663215476937626
COCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NCC(C)C)o2)n1,C36040929_decoy,PA2GA,Decoy,0,-10.8426,-8.63,-4.24,-12.711796888018856
COCc1cc(N(C)CCc2ccc(OC)c(OC)c2)nc(SCc2ccc(C(=O)NCC3CC3)o2)n1,C36040933_decoy,PA2GA,Decoy,0,-12.0535,-8.56,-2.23,-11.30765271565172
CCCC[C@H](CC)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1,C36496603_decoy,PA2GA,Decoy,0,-9.5113,-7.86,-3.28,-10.259278376130972
CCCCCCN(C(=O)CCc1ccc(OC)cc1)[C@@H](C(=O)NC(C)(C)C)c1cc([N+](=O)[O-])ccc1Cl,C36515213_decoy,PA2GA,Decoy,0,-8.78706,-7.39,-3.34,-9.432006076410673
CCCCCCN(C(=O)CCS)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c1cc([N+](=O)[O-])ccc1Cl,C36515474_decoy,PA2GA,Decoy,0,-11.1548,-7.28,-4.24,-10.56802754203276
CCCCCCN(C(=O)Cc1ccc2c(c1)OCO2)[C@H](C(=O)NCCCC)c1cc([N+](=O)[O-])ccc1Cl,C36516152_decoy,PA2GA,Decoy,0,-7.42847,-7.47,-2.09,-7.276982905540429
CCCCCCN(C(=O)Cc1ccc2c(c1)OCO2)[C@@H](C(=O)NCCCC)c1cc([N+](=O)[O-])ccc1Cl,C36516153_decoy,PA2GA,Decoy,0,-9.81277,-7.18,-4.0,-9.16428578744787
CCCCCCN(C(=O)CCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1,C36517142_decoy,PA2GA,Decoy,0,-9.20871,-7.02,-2.22,-8.618508616144121
CCCCCC(=O)N(c1ccccc1Cl)[C@@H](CCCCC)C(=O)NCS(=O)(=O)c1ccc(C)cc1,C36548089_decoy,PA2GA,Decoy,0,-9.50899,-6.88,-4.84,-9.117278605233114
CCCCNC(=O)[C@H](C(CC)CC)N(Cc1ccc(C)o1)C(=O)[C@@H]1CCCN1C(=O)OCc1ccccc1,C36555493_decoy,PA2GA,Decoy,0,-8.73338,-7.02,-1.31,-8.932613231425686
CCCC[C@H](CC)C(=O)N(CCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1,C36564913_decoy,PA2GA,Decoy,0,-8.8697,-7.91,-4.06,-8.233300559440663
CCCC[C@H](CC)C(=O)N(CCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(N(C)C)cc1,C36564985_decoy,PA2GA,Decoy,0,-11.414,-6.15,-3.15,-8.757656337211861
CCCN(C(=O)CCc1ccc(OC)cc1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C(CC)CC,C36571828_decoy,PA2GA,Decoy,0,-9.7424,-6.94,-3.96,-8.229230299357123
CCC(CC)[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccc(C)o1)C(=O)CCc1ccc(OC)cc1,C36598069_decoy,PA2GA,Decoy,0,-10.6273,-8.11,-1.52,-11.63944849739778
CCCCCOP(=O)(OCCCCC)[C@@]1(NS(=O)(=O)c2ccccc2)C=CC(=O)c2ccccc21,C08686156_decoy,PA2GA,Decoy,0,-7.87005,-5.29,-2.06,-6.319821118447866
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(Cl)cc2)[C@@H]1c1ccc(N(C)C)cc1,C40019208_decoy,PA2GA,Decoy,0,-11.4542,-6.89,-3.94,-9.531955747815903
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1/C=C/c1ccccc1,C40019678_decoy,PA2GA,Decoy,0,-10.8596,-6.54,-2.19,-9.299704400975454
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@H]1c1cccc(OC)c1,C40019701_decoy,PA2GA,Decoy,0,-10.0608,-7.19,-4.09,-8.915853122996701
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(C)cc1,C40019744_decoy,PA2GA,Decoy,0,-10.7629,-7.62,-4.88,-9.307582960916708
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cc3cccc(OC)c3o2)[C@H]1c1ccc(F)cc1,C40019745_decoy,PA2GA,Decoy,0,-12.3142,-7.73,-3.35,-10.012766160778437
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccc(F)cc1,C40019746_decoy,PA2GA,Decoy,0,-10.9422,-7.01,-4.71,-9.433930758906484
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccccc1F,C40019752_decoy,PA2GA,Decoy,0,-11.2061,-7.81,-4.55,-9.23504615025417
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1ccco1,C40019758_decoy,PA2GA,Decoy,0,-10.8187,-7.82,-2.2,-8.87442859999914
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1ccc(N(C)C)cc1,C40020007_decoy,PA2GA,Decoy,0,-12.5367,-7.05,-4.77,-9.268096205812846
CCOc1cc(/C=C(\C#N)C(=O)NCc2ccco2)ccc1OC(=O)CCCOc1ccc(C(C)(C)C)cc1,C40935076_decoy,PA2GA,Decoy,0,-11.2872,-8.2,-2.32,-10.226772255576243
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)/C=C/CCCCC)c1ccccc1,C36606263_decoy,PA2GA,Decoy,0,-9.78259,-6.87,-3.47,-8.731494761418375
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)/C=C\CCCCC)c1ccccc1,C36606264_decoy,PA2GA,Decoy,0,-9.06696,-7.31,-3.58,-8.02130888055483
CCCC[C@H](CC)C(=O)N(c1ccccc1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C(CC)CC,C36606803_decoy,PA2GA,Decoy,0,-9.92531,-6.66,-2.79,-9.142433413250478
CCOC(=O)c1ccc(NC(=S)N(Cc2ccc(OC)cc2)Cc2cc(OC)c(OC)cc2OC)cc1,C05948228_decoy,PA2GA,Decoy,0,-9.39242,-7.22,-2.46,-8.518356333413617
CC(=O)O[C@H]1O[C@@H](COC(=O)c2ccccc2)[C@@H](OC(=O)c2ccccc2)[C@@H]1OC(=O)c1ccccc1,C00621841_decoy,PA2GA,Decoy,0,-9.7243,-7.5,-1.97,-8.31808806634547
COc1cc(OC)c(Oc2cc(OC)c(Oc3cc(OC)c(OC)c(OC)c3)c(OC)c2)c(OC)c1,C01761471_decoy,PA2GA,Decoy,0,-9.96515,-7.07,-2.72,-9.035282230383068
CCOc1ccc(CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccc(S(=O)(=O)N(CC)C3CCCCC3)cc2)cc1,C00933632_decoy,PA2GA,Decoy,0,-11.6407,-6.8,-2.83,-10.218261265378633
CCOC(=O)C[C@@H](C(C)C)N(Cc1ccc(Cl)c([N+](=O)[O-])c1)S(=O)(=O)c1ccc(OC)cc1,C03026242_decoy,PA2GA,Decoy,0,-9.57711,-7.22,-1.44,-9.035193281468144
CCOc1cc(C(=O)Oc2coc(CSc3nc(C)cc(C)n3)cc2=O)cc(OCC)c1OCC,C09829226_decoy,PA2GA,Decoy,0,-11.3374,-7.51,-3.51,-8.050515744950072
C=CCn1c(COc2ccc(CC)cc2)nnc1SCC(=O)NCCc1ccc(Cl)cc1Cl,C12659532_decoy,PA2GA,Decoy,0,-13.3122,-7.99,-2.06,-9.660852863323978
C=CCOc1ccc(CN(C[C@@H]2CCCO2)C(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc1OC,C14425028_decoy,PA2GA,Decoy,0,-9.36751,-7.26,-3.49,-9.802269295167171
COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1)C(=O)C1CC1,C16649282_decoy,PA2GA,Decoy,0,-10.8353,-5.27,-2.95,-8.547214286606602
CCN(Cc1ccc(OC)c(OC)c1)C(=O)CSc1nnc(-c2ccc(N(CC)CC)cc2)n1C,C19314317_decoy,PA2GA,Decoy,0,-11.8607,-6.8,-2.03,-9.075239693073923
CCCOc1ccc([C@@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)[C@H](C(=O)OC)[C@@H](C)C3)cc1,C20560962_decoy,PA2GA,Decoy,0,-11.2223,-5.1,-2.09,-7.19367084120003
CCOc1ccc(N(CC(=O)NCCCc2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,C22322334_decoy,PA2GA,Decoy,0,-10.7683,-8.12,-2.15,-9.469065895343602
CCOc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccc(OC)cc2)c2ccc(C)cc2)cc1,C22344746_decoy,PA2GA,Decoy,0,-9.64436,-8.18,-3.35,-8.872656629210443
CCOc1ccccc1N(CC(=O)N[C@H](C)COc1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1,C22370134_decoy,PA2GA,Decoy,0,-9.95122,-8.56,-2.02,-9.445721678997376
CSc1ccc(S(=O)(=O)N(CC(=O)NCCCSCc2ccco2)c2cccc(F)c2)cc1,C22402024_decoy,PA2GA,Decoy,0,-11.4213,-6.45,-3.8,-8.192127650024359
CCOc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccc(OC)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,C22431266_decoy,PA2GA,Decoy,0,-10.1311,-7.18,-3.53,-7.709922232421428
CCCCn1nc(C(=O)OCc2ccc(COC(=O)c3ccc(=O)n(CCCC)n3)cc2)ccc1=O,C22721749_decoy,PA2GA,Decoy,0,-11.2063,-8.37,-3.51,-10.548230873403872
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(C(C)(C)C)cc2)c(C)c1,C24081105_decoy,PA2GA,Decoy,0,-9.38589,-7.62,-3.57,-8.363538764542302
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(C(C)(C)C)cc2)c(C)c1,C24081108_decoy,PA2GA,Decoy,0,-8.82774,-7.73,-1.94,-7.79798060978602
CC(C)CCn1c(COc2ccccc2)nnc1SCC(=O)N(Cc1ccco1)C1=CCCCC1,C24829473_decoy,PA2GA,Decoy,0,-12.6063,-8.12,-3.64,-9.649571741568842
COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(C(C)C)S(=O)(=O)c2ccc(C)cc2)cc1OC,C33731702_decoy,PA2GA,Decoy,0,-10.0467,-8.54,-1.65,-15.790771777407214
O=C(CN(C[C@@H]1CCCO1)C(=O)COCc1ccccc1)N(Cc1ccc(F)cc1)Cc1cccs1,C33738344_decoy,PA2GA,Decoy,0,-11.4515,-7.94,-2.82,-11.184575168413405
O=C(CCC1CCCC1)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1,C33764197_decoy,PA2GA,Decoy,0,-12.2797,-6.34,-2.13,-9.024123514629386
C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)Nc1cccc(C)c1,C34771964_decoy,PA2GA,Decoy,0,-11.0873,-8.17,-4.39,-9.905177620859613
C=CCN1C(=O)N[C@H](c2ccccc2C(F)(F)F)C2=C1CN([C@@H](CC(C)C)C(=O)N(CCC)CCC)C2=O,C34791546_decoy,PA2GA,Decoy,0,-9.98326,-7.52,-2.24,-10.159950596702656
CC(C)CN(CC(=O)N(CCc1ccccc1)Cc1ccco1)S(=O)(=O)c1ccc([N+](=O)[O-])cc1,C34806470_decoy,PA2GA,Decoy,0,-8.6914,-9.01,-3.15,-9.269328565216467
CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)CCl)CC1,C34909680_decoy,PA2GA,Decoy,0,-9.25338,-7.08,-2.64,-9.61723176660764
Cc1ccc(Sc2ccc([N+](=O)[O-])cc2CN(CCCN2CCOCC2)C(=O)CCC2CCCC2)cc1,C34998057_decoy,PA2GA,Decoy,0,-9.43902,-7.73,-1.56,-9.389207285998529
CCOCCCN(CC(=O)N(Cc1ccccc1)Cc1cccn1C)C(=O)c1ccc(C(F)(F)F)cc1,C35335927_decoy,PA2GA,Decoy,0,-11.6394,-7.81,-2.61,-10.608357832125485
COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C)cc1)C(=O)C(C)(C)CCl,C35351000_decoy,PA2GA,Decoy,0,-10.1604,-7.61,-3.46,-10.348885436569567
CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)Cc1cccs1,C35764817_decoy,PA2GA,Decoy,0,-10.7302,-6.72,-3.52,-9.649739561156316
COc1ccc(CCN(Cc2cccs2)C(=O)CN(C[C@H]2CCCO2)C(=O)c2cccs2)cc1OC,C35796289_decoy,PA2GA,Decoy,0,-11.9795,-7.2,-2.35,-10.640551539592252
COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCC(C)C)C(=O)c2ccco2)cc1OC,C35809057_decoy,PA2GA,Decoy,0,-9.77919,-7.12,-2.69,-8.703925328341727
C=CCN(Cc1cnc(S(=O)(=O)Cc2cccc(C(F)(F)F)c2)n1C1CC1)C(=S)NC(C)C,C36040771_decoy,PA2GA,Decoy,0,-13.3858,-6.55,-2.53,-10.433994681950017
CCC/C=C/[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccco1)C(=O)Cc1ccc2c(c1)OCO2,C36502084_decoy,PA2GA,Decoy,0,-10.4611,-7.59,,99.0
CCCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(Cc1ccco1)C(=O)C(c1ccccc1)c1ccccc1,C36503650_decoy,PA2GA,Decoy,0,-10.2314,-7.38,-3.15,-9.874575790508318
CCCCC[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C)C(=O)C(c1ccccc1)c1ccccc1,C36536201_decoy,PA2GA,Decoy,0,-9.10406,-8.3,-2.24,-8.695133002836815
CCCCC[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C)C(=O)C(c1ccccc1)c1ccccc1,C36536202_decoy,PA2GA,Decoy,0,-9.99195,-7.47,-2.61,-8.580662787714447
CCCCC/C=C\C(=O)N([C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(C)(C)C,C36582106_decoy,PA2GA,Decoy,0,-9.71992,-7.81,-5.5,-9.085356572548168
CCCCC/C=C\C(=O)N([C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccccc1)C(C)(C)C,C36582108_decoy,PA2GA,Decoy,0,-9.90348,-8.11,-3.66,-9.103906686423365
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)[C@@H](CC)c1ccccc1)C(C)(C)C,C36583123_decoy,PA2GA,Decoy,0,-9.98979,-8.36,-3.16,-10.188566604316824
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)[C@@H](CC)c1ccccc1)C(C)(C)C,C36583124_decoy,PA2GA,Decoy,0,-10.3401,-7.76,-2.75,-10.374221979851384
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccc(C)o1)C(=O)Cc1ccccc1,C36603287_decoy,PA2GA,Decoy,0,-11.0589,-8.99,-4.57,-11.118700905555636
COc1ccc(CCN(CCc2nc(-c3ccc([N+](=O)[O-])cc3)no2)C(=O)CC(C)(C)C)cc1OC,C37381992_decoy,PA2GA,Decoy,0,-9.83165,-7.06,-3.23,-7.530563758928676
CC(C)OC(=O)c1cccc(C(=O)Oc2ccc(OC(=O)c3cccc(C(=O)OC(C)C)n3)cc2)n1,C01513919_decoy,PA2GA,Decoy,0,-9.9113,-8.29,-4.12,-8.66173207439626
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2)[C@H]1c1cccc(Oc2ccccc2)c1,C39828030_decoy,PA2GA,Decoy,0,-10.1069,-8.56,-3.36,-9.258542241023148
CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2NCCc2ccccc2)SC1=S,C40066711_decoy,PA2GA,Decoy,0,-12.605,-8.13,-2.76,-12.596810394205011
COCCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)C(C)(C)CCl,C40374509_decoy,PA2GA,Decoy,0,-10.3979,-8.25,-2.44,-10.301154062111337
CCOC(=O)/C(C#N)=C/c1ccc(OC(=O)[C@@H]([C@@H](C)CC)N2C(=O)c3ccccc3C2=O)c(OCC)c1,C40867355_decoy,PA2GA,Decoy,0,-11.6059,-9.17,-1.58,-16.27534145158836
CCOc1ccc(N(CC(=O)N[C@@H](CC(C)C)c2ccccc2)S(=O)(=O)c2ccc(SC)cc2)cc1,C44947623_decoy,PA2GA,Decoy,0,-10.5716,-7.8,-3.26,-9.620114126636532
COc1ccc(CCNC(=O)CCCSc2nc(-c3cccs3)cc(C(F)(F)F)n2)cc1OC,C58975576_decoy,PA2GA,Decoy,0,-13.7483,-8.64,-2.44,-10.817853078280782
C=CCc1ccc(OCC(=O)N/N=C/c2ccc(OCc3ccc(Cl)cc3)c(OCC)c2)c(OC)c1,C04295767_decoy,PA2GA,Decoy,0,-11.6113,-8.52,-2.3,-9.058832457906671
CCOC(=O)c1sc(NC(=O)CSc2nnc(-c3ccc(OCC)cc3)o2)c(C(=O)OCC)c1C,C08924685_decoy,PA2GA,Decoy,0,-12.0472,-7.71,-3.14,-9.608527539051218
CCOc1cc(C(=O)N/N=C/c2ccc(OC)c(COc3ccc(Cl)cc3)c2)cc(OCC)c1OCC,C10039727_decoy,PA2GA,Decoy,0,-10.3642,-8.54,-4.2,-8.54764474459231
CC[C@@H](C)c1ccc(OCC(=O)N/N=C/c2ccc(OC(=O)c3cc(OC)c(OC)c(OC)c3)cc2)cc1,C10058873_decoy,PA2GA,Decoy,0,-8.72931,-8.6,-3.84,-6.680513765074719
COc1cc([C@@H](Nc2ccccc2)[P@](=O)(OCCC(C)C)c2ccc(N(C)C)cc2)cc(OC)c1OC,C09466154_decoy,PA2GA,Decoy,0,-8.43715,-7.04,-4.14,-7.826858216311259
C=CCn1c(SCC(=O)Nc2ccc(C(=O)OCC)cc2)nnc1-c1cc(OC)c(OC)c(OC)c1,C14084297_decoy,PA2GA,Decoy,0,-12.9222,-8.23,-1.87,-11.73765313681656
C=CCOC(=O)C1C(=NCCc2ccccc2)C[C@@](C)(O)[C@@H](C(=O)OCC=C)[C@@H]1c1cccc([N+](=O)[O-])c1,C15081177_decoy,PA2GA,Decoy,0,-11.0458,-7.68,-4.22,-10.715775374339245
CSCCOC(=O)COc1ccc(/C=N/NC(=O)CSCc2ccccc2Br)cc1,C16248646_decoy,PA2GA,Decoy,0,-11.0062,-5.75,-4.32,-6.8967881408890666
CCCCN(Cc1cccn1Cc1ccc(Br)cc1)C(=O)CN(CC(C)C)C(=O)COC,C16462635_decoy,PA2GA,Decoy,0,-9.39478,-7.2,-4.54,-11.917600275063132
COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)/C=C/c1ccccc1,C16648078_decoy,PA2GA,Decoy,0,-8.59259,-7.93,-2.63,-8.447745396702873
CC[C@H](C(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(F)cc1)c1ccccc1,C16648872_decoy,PA2GA,Decoy,0,-10.2473,-7.86,-3.22,-10.483469876398608
COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1)C(=O)C(C)(C)C,C16649324_decoy,PA2GA,Decoy,0,-9.87142,-8.61,-3.3,-10.183041420586887
COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1)C(=O)C(C)C,C16649326_decoy,PA2GA,Decoy,0,-9.22391,-8.14,-3.49,-8.991634115339657
CCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)c1ccc(C(C)(C)C)cc1,C16652877_decoy,PA2GA,Decoy,0,-9.97321,-8.15,-2.4,-8.839459647900616
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2CC[NH+](CC)CC)cc1OCC,C20391978_decoy,PA2GA,Decoy,0,-9.67562,-7.73,-4.37,-9.218872279113269
CCOc1ccccc1N(CC(=O)NCCCOC1CCCC1)S(=O)(=O)c1ccc(SC)cc1,C22370104_decoy,PA2GA,Decoy,0,-10.1969,-5.95,-2.3,-7.952161670020116
CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)c1ccc(CC)cc1,C33458185_decoy,PA2GA,Decoy,0,-10.3514,-7.8,-4.35,-9.029240815032775
CCCC[C@@H](Sc1nc(COC)c(Cc2ccccc2)c(=O)n1C)C(=O)N1CCC[C@@H](C(=O)OCC)C1,C33665144_decoy,PA2GA,Decoy,0,-11.725,-8.25,-4.47,-11.773169983535883
C[C@@H](CC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)CC(C)(C)C,C16652604_decoy,PA2GA,Decoy,0,-10.0426,-7.71,-3.98,-10.040624169834008
C/C=C(C)/C=C/C=C/[C@@H](OC)[C@@H](C)[C@H](OC)[C@@H](C)CCc1oc2c(O)c(OC)cc(OC)c2c(=O)c1C,C33836525_decoy,PA2GA,Decoy,0,-11.6793,-8.0,-3.39,-8.703214504980714
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC(C)C)c(C)c3)=C([O-])C(=O)N2CC[NH+](C)C)cc1OC,C35025494_decoy,PA2GA,Decoy,0,-10.1625,-6.35,-4.12,-7.637124097915603
COCCCN(CC(=O)N(Cc1ccccc1)Cc1sccc1C)S(=O)(=O)/C=C/c1ccccc1,C35044901_decoy,PA2GA,Decoy,0,-11.0459,-8.04,-3.46,-11.479458316726236
CCCCc1ccc(C(=O)N(CCN2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2cccs2)cc1,C35088692_decoy,PA2GA,Decoy,0,-13.2863,-7.19,-1.43,-10.478970155077512
CC[C@@H](C(=O)N(CCN1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccco1)c1ccccc1,C35354477_decoy,PA2GA,Decoy,0,-10.2702,-8.43,-2.83,-13.027582335295929
Cc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(CC(C)C)C(=O)COCc2ccccc2)cc1,C35760857_decoy,PA2GA,Decoy,0,-8.77919,-8.14,-3.62,-8.32914755105189
C[C@H](CC(=O)N(CCN1CCOCC1)CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)CC(C)(C)C,C35771168_decoy,PA2GA,Decoy,0,-11.8001,-6.34,-1.76,-9.97921609754784
COc1ccc(CCN(Cc2cccs2)C(=O)CN(CC(C)C)C(=O)C(C)(C)CCl)cc1OC,C35795607_decoy,PA2GA,Decoy,0,-10.9674,-6.78,-2.54,-10.191471659213905
CCCCC[C@H](C(=O)NC(C)(C)C)N(Cc1ccco1)C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1,C36494080_decoy,PA2GA,Decoy,0,-9.96052,-6.95,-1.52,-8.582590887808463
CCCCCCN(C(=O)C=C(C)C)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1,C36516843_decoy,PA2GA,Decoy,0,-9.72097,-7.18,-3.94,-9.846522557092776
CCCC[C@H](CC)C(=O)N(C)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)c(OC)c1,C36527001_decoy,PA2GA,Decoy,0,-11.3022,-7.1,-3.45,-8.839076064911447
CCCCC/C=C/C(=O)N(CCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C,C36563068_decoy,PA2GA,Decoy,0,-9.03688,-7.75,-1.69,-8.654715965942767
CCCCC/C=C\C(=O)N(CCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1,C36563847_decoy,PA2GA,Decoy,0,-9.42473,-6.85,-2.93,-7.734345040683157
CCCCC/C=C\C(=O)N(CCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1,C36563851_decoy,PA2GA,Decoy,0,-8.51343,-7.04,-4.0,-7.984936591793561
CCCC[C@@H](CC)C(=O)N(CCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1,C36564946_decoy,PA2GA,Decoy,0,-10.2186,-7.52,-4.09,-9.884837190509318
CCCC[C@@H](CC)C(=O)N(CCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(Cl)cc1,C36564950_decoy,PA2GA,Decoy,0,-8.6905,-7.32,-2.31,-9.572134920247947
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)Nc2nnc(-c3cccc(SC(C)C)c3)o2)cc1,C36652619_decoy,PA2GA,Decoy,0,-11.6766,-9.11,-4.73,-8.592861316985841
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1ccc(OC)cc1OC,C39827951_decoy,PA2GA,Decoy,0,-8.99667,-6.7,-3.8,-7.170173250156058
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc4cc(OC)ccc4c3)=C([O-])C(=O)N2CCC[NH+](CC)CC)c1,C39847657_decoy,PA2GA,Decoy,0,-10.2325,-8.06,-2.51,-11.504521592434145
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccco2)[C@@H]1c1cccc(Br)c1,C40018828_decoy,PA2GA,Decoy,0,-11.044,-7.24,-3.55,-9.38648969637963
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(Br)cc1,C40018969_decoy,PA2GA,Decoy,0,-9.83944,-6.5,-2.04,-8.819258764007317
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(C)o1,C40019228_decoy,PA2GA,Decoy,0,-10.6718,-7.06,-3.67,-8.55462758575744
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2cc3ccccc3o2)[C@H]1c1sccc1C,C40019729_decoy,PA2GA,Decoy,0,-9.31856,-6.54,-3.76,-7.410616230383508
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1Cl,C40019814_decoy,PA2GA,Decoy,0,-12.0569,-7.34,-3.88,-10.350308781216617
CCCCOc1ccc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2CCCOC(C)C)cc1OCC,C40042865_decoy,PA2GA,Decoy,0,-10.7664,-7.64,-3.23,-8.93900653001007
CCOc1cc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2CCCOC(C)C)ccc1OCCC(C)C,C40042950_decoy,PA2GA,Decoy,0,-10.8558,-8.07,-1.86,-10.048461922503424
CCOCCCN(CC(=O)c1c(C)c(C(=O)OCC)n(CC)c1C)S(=O)(=O)c1c(C)cc(C)cc1C,C40384651_decoy,PA2GA,Decoy,0,-10.3855,-7.81,,99.0
CCOc1ccc(CCNC(=O)CCSc2nc(-n3nc(C)cc3C)nc(CC)c2C)cc1OCC,C40851296_decoy,PA2GA,Decoy,0,-11.7895,-8.47,-1.49,-10.252178163316424
C=CCn1c(CCCOc2ccc(C(C)(C)C)cc2)nnc1SCC(=O)Nc1ccc(OC)c(Cl)c1,C40978407_decoy,PA2GA,Decoy,0,-13.4397,-8.63,-2.54,-10.276192662290208
CCCOc1ccc([C@@H]2C(C(=O)OCc3ccccc3)=C(C)Nc3nc(SCCC)nn32)cc1OCC,C40981479_decoy,PA2GA,Decoy,0,-12.0285,-7.6,-3.77,-10.682783720485
C=CCOC(=O)C1=C(C)Nc2nc(SCCC)nn2[C@@H]1c1ccc(OCc2ccccc2)c(OCC)c1,C40982655_decoy,PA2GA,Decoy,0,-9.89972,-6.97,-2.61,-8.326160096386563
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@H](C(=O)NC1CCCC1)c1ccco1,C06600084_decoy,PA2GA,Decoy,0,-10.1035,-7.46,-3.77,-7.936919437266212
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC1CCCC1)c1ccco1,C06600159_decoy,PA2GA,Decoy,0,-10.0178,-7.72,-3.21,-8.507247873842228
CC[C@H](C)NC(=O)CSc1nc2ccsc2c(=O)n1CCCCCC(=O)Nc1ccc(OC)cc1,C09474666_decoy,PA2GA,Decoy,0,-10.7118,-6.42,-3.0,-7.985841439931957
CCCN(CCC)C(=O)Cn1c(=O)n(Cc2ccc(C(=O)NCCCOC)cc2)c(=O)c2ccccc21,C09617313_decoy,PA2GA,Decoy,0,-10.3,-7.58,-3.62,-9.146985993602174
C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1sc(C(=O)OCC)c(C)c1C#N,C09695107_decoy,PA2GA,Decoy,0,-12.5878,-7.06,-1.18,-9.858570781724367
O=C(NCCCC[C@H](NC(=O)c1ccccc1)C(=O)OCc1cnc(-c2ccccc2)o1)c1ccccc1,C09805621_decoy,PA2GA,Decoy,0,-10.4399,-8.51,-2.66,-10.67265085099876
CCOCCCNC(=O)[C@H](c1ccc(C)cc1)N(Cc1cccs1)C(=O)CNC(=O)c1ccccc1,C09834947_decoy,PA2GA,Decoy,0,-11.1528,-7.13,-3.92,-8.933813935050074
COCCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@@H](C(=O)OCCOC)[C@H]1c1ccc(F)c(Oc2ccccc2)c1,C12402135_decoy,PA2GA,Decoy,0,-11.0154,-6.65,-4.19,-9.522586991936162
COCCOC(=O)[C@H]1C(=O)C[C@@](C)(O)[C@@H](C(=O)OCCOC)[C@H]1c1ccc(F)c(Oc2ccccc2)c1,C12402136_decoy,PA2GA,Decoy,0,-10.4207,-7.92,-5.18,-10.614169794955536
COc1cc(/C=C/C(=O)NC[C@@H](C)OC(=O)/C=C/c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,C12562601_decoy,PA2GA,Decoy,0,-9.90773,-6.53,-3.13,-6.882721843279295
O=C(NCCCC[C@@H](NC(=O)c1ccccc1)C(=O)OCc1cnc(-c2ccccc2)o1)c1ccccc1,C12629798_decoy,PA2GA,Decoy,0,-9.75781,-9.22,-1.63,-10.202759357901613
CCOC(=O)c1[nH]c(C)c(C(=O)OCC(=O)Nc2cc(OCC)c(N3CCOCC3)cc2OCC)c1C,C12546989_decoy,PA2GA,Decoy,0,-10.1532,-6.63,-2.46,-6.664875042941924
CC(C)COC(=O)C[C@@H]1C(=O)NCCN1C(=S)NC(=O)c1cccc(OCCOc2ccccc2)c1,C14663863_decoy,PA2GA,Decoy,0,-9.80351,-6.36,-3.62,-8.57758560510308
COCCOC(=O)[C@H]1C(=O)C[C@](C)(O)[C@H](C(=O)OCCOC)[C@H]1c1ccc(F)c(Oc2ccccc2)c1,C15021648_decoy,PA2GA,Decoy,0,-10.3473,-6.65,-1.7,-10.615631259433147
C=CCn1c(CNc2ccc(Cl)cc2)nnc1SCC(=O)N/N=C/c1ccc(N(CC)CC)cc1,C15930362_decoy,PA2GA,Decoy,0,-14.6163,-6.98,-2.32,-9.777903690360128
CCCN(CCC)S(=O)(=O)c1ccc2c(c1)c(/C=N/NC(=S)Nc1ccccc1OCC)cn2CC,C20183392_decoy,PA2GA,Decoy,0,-11.9879,-6.73,-3.94,-7.755093394358745
CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(NCCOCCO)nc3c(C)cccn3c2=O)SC1=S,C33498242_decoy,PA2GA,Decoy,0,-12.7559,-6.71,-2.56,-9.668248463041405
C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)CCC(=O)OCC,C33673437_decoy,PA2GA,Decoy,0,-11.3429,-6.45,-1.6,-8.841155887678728
COc1ccc(CCN(Cc2cccs2)C(=O)CN(C[C@H]2CCCO2)C(=O)C(C)(C)CCl)cc1OC,C33748587_decoy,PA2GA,Decoy,0,-11.4538,-7.61,-2.16,-10.969764958773707
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2CC[NH+](CC)CC)cc1OCC,C33766201_decoy,PA2GA,Decoy,0,-9.28846,-7.34,-3.16,-8.463442673320175
COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)c1ccccc1F,C33827893_decoy,PA2GA,Decoy,0,-11.4743,-6.79,-2.18,-9.201697792736896
COc1cc(C(=O)N(CC(C)C)C[C@@H]2CN(C[C@H](O)COc3ccccc3)CCO2)cc(OC)c1OC,C34691305_decoy,PA2GA,Decoy,0,-9.93259,-8.63,-2.93,-10.072816253639076
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@@H]1c1ccc(OCCC(C)C)c(OC)c1,C34918358_decoy,PA2GA,Decoy,0,-8.91525,-7.76,-3.83,-8.337488293839305
CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)CCCl,C35147268_decoy,PA2GA,Decoy,0,-11.0114,-6.76,-5.14,-11.625440494029476
COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)c1ccccc1F,C35354584_decoy,PA2GA,Decoy,0,-11.3182,-8.28,-4.42,-10.31562990440653
CCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1OCC,C35568287_decoy,PA2GA,Decoy,0,-10.9756,-6.85,-3.06,-9.282919206017429
C=CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1OC,C35568320_decoy,PA2GA,Decoy,0,-11.0932,-7.25,-3.29,-12.684774129557669
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCC[NH+](C)C)N2[C@@H]1c1cc(OC)cc(OC)c1,C35700966_decoy,PA2GA,Decoy,0,-10.6573,-5.97,-3.96,-8.866567718546067
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCC[NH+](C)C)N2[C@@H]1c1cccc(OC)c1OC,C35703612_decoy,PA2GA,Decoy,0,-9.77739,-5.3,-4.24,-7.453374615302306
COCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)c(OC)c1)C(=O)C1CCC1,C35760943_decoy,PA2GA,Decoy,0,-9.91523,-7.06,-1.56,-10.14788873055231
COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2,C35764974_decoy,PA2GA,Decoy,0,-11.5048,-8.01,-2.39,-9.995666135577926
COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)c1ccc(F)cc1,C35795847_decoy,PA2GA,Decoy,0,-11.29,-7.85,-3.17,-10.948254300732378
C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)c1cccc(OC)c1,C35796405_decoy,PA2GA,Decoy,0,-12.0226,-6.99,-3.02,-10.322980837951327
COCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)CCCl,C35798001_decoy,PA2GA,Decoy,0,-11.2804,-6.67,-1.45,-9.264592804723836
CCCS(=O)(=O)N(CCC(C)C)CC(=O)N(Cc1ccccc1C)C1CCN(C(=O)CCCl)CC1,C35958154_decoy,PA2GA,Decoy,0,-10.5104,-6.42,-2.92,-8.154738353359964
CCC/C=C/[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccco1)C(=O)c1cc([N+](=O)[O-])cc([N+](=O)[O-])c1,C36497604_decoy,PA2GA,Decoy,0,-8.52117,-7.16,-2.95,-8.528507941559484
C=CCOc1ccc(/C=N/NC(=O)CCCC(=O)N/N=C/c2ccc(OCC=C)c(OC)c2)cc1OC,C04527745_decoy,PA2GA,Decoy,0,-10.7373,-7.72,-4.42,-10.186170209473442
C=CCn1c(SCC(=O)Nc2sc(C)c(CC)c2C(=O)OCC)nnc1[C@@H](C)Oc1cccc(C)c1,C39972608_decoy,PA2GA,Decoy,0,-12.8175,-7.33,-3.41,-8.968916370795457
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@H]1c1cccc(O)c1,C40019663_decoy,PA2GA,Decoy,0,-11.4692,-8.83,-4.39,-13.144872419306528
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1cccc(O)c1,C40019664_decoy,PA2GA,Decoy,0,-11.7313,-8.43,-3.71,-9.993752948187858
CCS(=O)(=O)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C[C@@H]1CCCO1,C40372170_decoy,PA2GA,Decoy,0,-11.966,-7.39,-3.59,-10.1879270317191
CCOc1cc(C(=O)Oc2ccc3cc(C(=O)NCCCOC)c(=O)oc3c2)cc(OCC)c1OCC,C40893077_decoy,PA2GA,Decoy,0,-10.367,-7.64,-2.06,-11.093415559161135
C=CCOC(=O)C1=C(C)Nc2nc(SCC)nn2[C@@H]1c1ccc(OCC(=O)N(CC)CC)c(OC)c1,C41003496_decoy,PA2GA,Decoy,0,-11.5929,-6.33,-2.91,-8.507141792758002
CC(C)(C)C(=O)OC[C@@H]1O[C@H](N)[C@H](OC(=O)C(C)(C)C)[C@@H](OC(=O)C(C)(C)C)[C@H]1OC(=O)C(C)(C)C,C44608700_decoy,PA2GA,Decoy,0,-8.82532,-7.98,-5.17,-9.282595705600862
C=CCc1cc(/C=N\NC(=O)CC[C@@H](O)c2ccc(OCC)cc2)ccc1OCc1ccc2c(c1)OCO2,C58895140_decoy,PA2GA,Decoy,0,-11.17,-8.81,-2.84,-8.52092605505609
C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1,C59475528_decoy,PA2GA,Decoy,0,-13.4308,-7.62,-1.76,-9.209678357113471
C=CCCC(=O)Nc1ccc2nc(SC[C@H](C)C(=O)NCCc3ccc(OC)c(OC)c3)sc2c1,C59721162_decoy,PA2GA,Decoy,0,-12.8046,-8.71,-2.66,-9.220290662182204
CCOC(=O)C1=C(C)C(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)=N[C@@H]1C,C39944689_decoy,PA2GA,Decoy,0,-10.1526,-8.23,-1.57,-7.174654743716555
CCOC(=O)C1=C(C)C(C(=O)[C@@H](C)OC(=O)CCNS(=O)(=O)c2cccc(C(F)(F)F)c2)=N[C@H]1C,C39944691_decoy,PA2GA,Decoy,0,-10.0468,-7.36,-2.78,-7.63895926162509
C=CCn1c(CCNC(=O)c2ccccc2F)nnc1S[C@@H](C)C(=O)Nc1ccc(C(=O)OCC)cc1,C10934549_decoy,PA2GA,Decoy,0,-13.7935,-8.75,-4.15,-9.868769284858198
CCOc1ccc(NC(=O)C(=O)N/N=C/c2ccc(OC(=O)c3ccc(OCC)cc3)c(OCC)c2)cc1,C04360078_decoy,PA2GA,Decoy,0,-10.5801,-6.98,-2.95,-7.738222939343895
CCCC(=O)Nc1ccn([C@@H]2O[C@@H](COC(=O)CCC)[C@@H](OC(=O)CCC)[C@@H]2OC(=O)CCC)c(=O)n1,C04984383_decoy,PA2GA,Decoy,0,-10.5726,-7.34,-2.8,-9.841339611942118
COC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](CSCc1ccccc1)NC(=O)OCc1ccccc1,C05023366_decoy,PA2GA,Decoy,0,-12.5316,-8.12,-4.01,-11.26912069433908
CCOc1ccc(NC(=S)N[C@H]2O[C@@H](COC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]2OC(C)=O)cc1,C05614847_decoy,PA2GA,Decoy,0,-7.85813,-7.53,-3.93,-8.71658234131727
CCOC(=O)CN(C(=O)Cn1nnc(-c2ccc(F)cc2)n1)[C@H](C(=O)NCCC(C)C)c1ccc(O)cc1,C06546242_decoy,PA2GA,Decoy,0,-10.9319,-8.59,-3.17,-9.710957491256552
CCOCCCN(C(=O)Cn1nnc(-c2ccc(OC)cc2)n1)[C@@H](C(=O)NC1CCCCC1)c1ccco1,C06600162_decoy,PA2GA,Decoy,0,-10.4042,-8.52,-4.18,-10.955721253272849
CCOc1ccc(C(=O)Oc2ccc(/C=N/NC(=O)CNS(=O)(=O)c3ccccc3)cc2OCC)cc1,C04292830_decoy,PA2GA,Decoy,0,-10.8538,-6.83,-3.54,-7.605804360325537
CCOc1ccc(N2C[C@@H](CNC(=O)Nc3cc(OCC)c(OCC)c(OCC)c3)OC2=O)cc1OCC,C08868686_decoy,PA2GA,Decoy,0,-9.85253,-8.15,-2.98,-11.672020319787393
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCCn2ncc3c(NCCOC)nc(SC)nc32)cc1,C08943981_decoy,PA2GA,Decoy,0,-10.983,-7.53,-3.15,-7.655603584104252
CCCNc1nc(SCC)nc2c1cnn2CCNC(=O)c1ccc(S(=O)(=O)N(CC)CC)cc1,C08948138_decoy,PA2GA,Decoy,0,-11.4335,-7.27,-2.53,-7.936044683481334
CCOCCCNC(=O)[C@@H](c1ccccc1)N(Cc1ccc2c(c1)OCO2)C(=O)CNC(=O)c1ccccc1,C09601397_decoy,PA2GA,Decoy,0,-8.60763,-7.29,-3.08,-7.686189938175097
CCOc1ccc(-c2csc(NC(=O)c3ccc(S(=O)(=O)N(CCOC)CCOC)cc3)n2)cc1,C11617197_decoy,PA2GA,Decoy,0,-12.2216,-6.84,-2.32,-7.684349940186801
COC(=O)[C@@H](CSCc1ccccc1)NC(=O)COC(=O)[C@H](NC(=O)c1ccccc1)c1ccccc1,C12417318_decoy,PA2GA,Decoy,0,-10.7267,-8.3,-2.34,-9.631752146825976
CCOC(=O)CN(C(=O)C[S@+]([O-])CC(=O)Nc1ccc(C)cc1)[C@H](CC(C)C)C(=O)NC1CCCCC1,C12473826_decoy,PA2GA,Decoy,0,-9.69016,-8.46,-1.84,-9.880088782416184
COCCOC(=O)c1c(NC(=O)COC(=O)CCCc2nc3ccccc3s2)sc(C(N)=O)c1C,C12579270_decoy,PA2GA,Decoy,0,-10.3317,-7.39,-3.54,-11.669104587516928
CCOC(=O)C(=CNc1ccc(N2CCCCC2)c(S(=O)(=O)Nc2ccccc2OC)c1)C(=O)OCC,C12631814_decoy,PA2GA,Decoy,0,-10.618,-8.33,-4.12,-12.15445309833152
CC(C)CCOc1cccc(C(=O)NC(=S)N2CCNC(=O)[C@H]2CC(=O)OCCOc2ccccc2)c1,C14644770_decoy,PA2GA,Decoy,0,-10.9125,-7.84,-3.0,-9.133719278717678
CC(C)CCOC(=O)C[C@H]1C(=O)NCCN1C(=S)NC(=O)c1ccccc1OCCOc1ccccc1,C14775237_decoy,PA2GA,Decoy,0,-9.61013,-7.17,-2.61,-8.760036256245913
CC(=O)OC[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H](OC(C)=O)c1nnc(N(C(C)=O)c2ccc(C)cc2)s1,C15775197_decoy,PA2GA,Decoy,0,-10.3512,-7.23,-1.67,-8.717716154197877
CC(=O)OC[C@H](OC(C)=O)[C@H](OC(C)=O)[C@@H](OC(C)=O)c1nnc(N(C(C)=O)c2ccc(C)cc2)s1,C15775200_decoy,PA2GA,Decoy,0,-11.7597,-6.38,-3.34,-9.55229649231132
COc1ccc(/C(=C\c2ccc(OC(F)F)c(OC)c2)C(=O)OCC(=O)NCC(F)(F)F)cc1OC,C15979423_decoy,PA2GA,Decoy,0,-9.65907,-7.22,-2.16,-8.107904115782988
CCN(CC)C(=O)c1sc(NC(=S)Nc2cc(OC)c(OC)cc2C(=O)OC)c(C(=O)OC)c1C,C16361069_decoy,PA2GA,Decoy,0,-9.88068,-6.03,-2.07,-7.692079900216139
CCOCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C(=O)CCC(=O)OCC,C16488645_decoy,PA2GA,Decoy,0,-10.3347,-6.9,-4.08,-10.183759303763226
CCOCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)o1)C(=O)c1ccc(C)c([N+](=O)[O-])c1,C16650833_decoy,PA2GA,Decoy,0,-9.03467,-7.36,-3.74,-8.122022562207585
CCOCCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1ccc(C)o1)S(=O)(=O)c1ccccc1,C16652251_decoy,PA2GA,Decoy,0,-9.59354,-6.74,-3.55,-9.355580334772922
CN(Cc1cnc(N)c(C#N)n1)c1ccc(C(=O)N[C@@H](CCC(=O)OC(C)(C)C)C(=O)OC(C)(C)C)cc1,C17060384_decoy,PA2GA,Decoy,0,-10.2182,-8.0,-5.41,-8.381223388653757
CCOC(=O)CC[C@H](NC(=O)c1ccc(NCC(=O)CN2C(=O)c3ccccc3C2=O)cc1)C(=O)OCC,C17430483_decoy,PA2GA,Decoy,0,-9.99554,-7.33,-3.5,-8.270400383400338
CCCCN(CCCC)S(=O)(=O)c1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Cl)cc2)cc1,C20628714_decoy,PA2GA,Decoy,0,-12.2743,-8.29,-1.4,-14.57336111934916
Cc1c(O)c(=O)ccn1CCOCCOCCOCCOCCCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,C27074428_decoy,PA2GA,Decoy,0,-9.77004,-6.91,-3.88,-6.622285071512561
COc1ccc(CCN(Cc2ccc(C)o2)C(=O)CN(CCN2CCOCC2)C(=O)C2CCCC2)cc1OC,C33475464_decoy,PA2GA,Decoy,0,-10.8014,-8.75,-3.38,-10.256386705024791
COCCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cccs1)C(=O)Cc1ccc(OC)cc1,C33614511_decoy,PA2GA,Decoy,0,-10.0743,-6.33,-5.09,-8.421129204377324
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](CC)CC)[C@H]2c2cc(OC)c(OC)c(OC)c2)c1,C33723330_decoy,PA2GA,Decoy,0,-9.76029,-7.75,-3.98,-8.799215487921431
CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)S(=O)(=O)c1ccc(C)cc1,C34696718_decoy,PA2GA,Decoy,0,-10.4593,-7.6,-2.69,-9.643042576925373
CCCCC(=O)N1CCC(N(Cc2ccc(Cl)cc2)C(=O)CN(CCOC)S(=O)(=O)CCC)CC1,C34909720_decoy,PA2GA,Decoy,0,-11.3686,-5.62,-3.24,-8.074049847522557
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2CC[NH+](CC)CC)cc1OCC,C34920398_decoy,PA2GA,Decoy,0,-8.16051,-7.52,-4.22,-6.8787108017291
CCOc1ccc(NC(=O)N(CCC(=O)NCCC(c2ccccc2)c2ccccc2)Cc2ccco2)cc1,C34945437_decoy,PA2GA,Decoy,0,-10.1489,-8.82,-3.68,-13.154510273017932
COc1cc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2CC[NH+](C)C)ccc1OCCC(C)C,C35024642_decoy,PA2GA,Decoy,0,-8.78486,-7.85,-4.4,-8.195169401250416
CCS(=O)(=O)N(CCOC)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(C(F)(F)F)cc1,C35351149_decoy,PA2GA,Decoy,0,-11.6246,-7.88,-2.24,-10.837986182716772
CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)c1ccco1,C35384125_decoy,PA2GA,Decoy,0,-10.8216,-6.55,-4.48,-8.910990507977974
COCC(=O)N(CCc1ccccc1)CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(N(C)C)cc1,C35394986_decoy,PA2GA,Decoy,0,-9.82344,-7.86,-3.48,-9.169646487523025
COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OC)c(OC)c1)C(=O)c1ccco1,C35760974_decoy,PA2GA,Decoy,0,-9.75564,-7.14,-2.47,-9.75835471822915
COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)Nc1cccc(C#N)c1,C35766158_decoy,PA2GA,Decoy,0,-9.19434,-7.98,,99.0
CCOC(=O)CNC(=O)N(CCOC)CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C,C35775330_decoy,PA2GA,Decoy,0,-10.6398,-6.32,-2.5,-9.252828115773946
CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)[C@H](C)Cl,C35799080_decoy,PA2GA,Decoy,0,-10.7236,-6.88,-2.37,-8.452149591069023
CCCCCCN(C(=O)CNC(=O)c1ccccc1)[C@H](C(=O)NC1CCCCC1)c1ccc([N+](=O)[O-])cc1,C36518969_decoy,PA2GA,Decoy,0,-8.9406,-7.25,-2.92,-8.805372780781761
CCC(=O)Nc1cc(N(CCC(=O)OC)CCC(=O)OC)ccc1/N=N\c1ccc([N+](=O)[O-])cc1Cl,C31371359_decoy,PA2GA,Decoy,0,-8.99111,-7.18,-2.25,-10.795127677319202
COC(=O)c1cc(Nc2ncnc(Nc3ccc(C(=O)OCC(C)C)cc3)c2[N+](=O)[O-])cc(C(=O)OC)c1,C40594029_decoy,PA2GA,Decoy,0,-9.1434,-7.24,-3.85,-6.209119661676133
CCCn1c(CCc2cn(CC)nc2C)nnc1SCc1nc(N2CCCCC2)ncc1C(=O)OCC,C41347438_decoy,PA2GA,Decoy,0,-11.9222,-6.91,-3.39,-7.767055578722136
COC(=O)c1cc(NC(=S)/N=C(/NCCN2CCOCC2)Nc2nc(C)cc(C)n2)cc(C(=O)OC)c1,C14158236_decoy,PA2GA,Decoy,0,-11.7826,-9.24,-1.98,-12.450508872869204
CC(C)Cc1ccc([C@@H](C)C(=O)NC(=S)N2CCNC(=O)[C@@H]2CC(=O)OCCCc2ccccc2)cc1,C66199699_decoy,PA2GA,Decoy,0,-10.5771,-7.93,-1.84,-9.431563004769693
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(CCC#N)c3ccccc3)C2=O)cc1,C08820121_decoy,PA2GA,Decoy,0,-10.8888,-8.13,,99.0
CCCCc1ccc2c(c1)s/c(=N/C(=O)CCCS(=O)(=O)Cc1ccccc1)n2CC(=O)OC,C10688243_decoy,PA2GA,Decoy,0,-11.2196,-8.68,-2.35,-9.948005953598663
CCN(CC)c1nc2ccc(OC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)cc2s1,C12489329_decoy,PA2GA,Decoy,0,-12.3029,-8.18,-4.73,-9.225156767920415
CCOC(=O)c1c(NC(=O)CSCc2ccc(C(=O)[O-])cc2)sc(C(=O)N(CC)CC)c1C,C13062429_decoy,PA2GA,Decoy,0,-9.40063,-7.82,-3.42,-8.092136714717794
CCOc1ccc(-c2nnc(SCC(=O)N[C@@H](C)c3ccc(CC(C)C)cc3)n2CC(=O)[O-])cc1,C13195899_decoy,PA2GA,Decoy,0,-11.5403,-6.51,-4.35,-7.521316607873287
C=CCOc1ccc(CN(C(C)(C)C)S(=O)(=O)c2cc(/C=C/C(=O)[O-])cc(OC)c2OC)cc1,C13250044_decoy,PA2GA,Decoy,0,-9.64324,-7.26,-3.23,-9.231264785946465
CCCC(=O)OC[C@@H]1O[C@H](n2cnc3c([S-])ncnc32)[C@H](OC(=O)CCC)[C@H]1OC(=O)CCC,C17004210_decoy,PA2GA,Decoy,0,-10.3765,-6.77,-2.57,-12.241397249845283
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2CCCOC)cc1OCC,C09312160_decoy,PA2GA,Decoy,0,-9.80349,-7.92,-2.6,-10.256727228066598
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)=C([O-])C(=O)N2CCCOC)cc1OCC,C09312162_decoy,PA2GA,Decoy,0,-10.1694,-7.76,-2.1,-9.357405798013607
O=C(COc1ccccc1)N(CCN1CCOCC1)CC(=O)N(Cc1ccccc1)Cc1cccs1,C33460253_decoy,PA2GA,Decoy,0,-9.8711,-7.57,-2.27,-8.876912124398675
C=CCOc1ccc([C@@H]2C(C(=O)c3cccc(OCC)c3)=C([O-])C(=O)N2CCCn2ccnc2)cc1,C33470292_decoy,PA2GA,Decoy,0,-10.3433,-8.34,-2.33,-10.308380697111826
COCCCN1C(=O)C([O-])=C(C(=O)c2cc3cccc(OC)c3o2)[C@@H]1c1cccc(OCCC(C)C)c1,C33522934_decoy,PA2GA,Decoy,0,-10.4583,-7.58,-2.01,-8.27750501322182
COCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)c1cccs1,C33657615_decoy,PA2GA,Decoy,0,-10.9117,-5.59,-4.92,-8.160835280073123
CCOc1cc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2CCCOC)ccc1OCCC(C)C,C09290663_decoy,PA2GA,Decoy,0,-10.0837,-7.67,-2.8,-8.641805642412374
O=C(CN(CCN1CCOCC1)C(=O)[C@@H]1C[C@H]1c1ccccc1)N(CCc1ccccc1)Cc1ccco1,C33694566_decoy,PA2GA,Decoy,0,-10.7848,-7.28,-1.68,-8.730599735323999
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)OCCO3)[C@@H]1c1ccc(OCCC(C)C)c(OC)c1,C08383841_decoy,PA2GA,Decoy,0,-12.4406,-7.58,-4.23,-10.136890161012976
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2CCCN2CCOCC2)cc1OC,C33758345_decoy,PA2GA,Decoy,0,-10.605,-7.07,-1.99,-9.701702894507202
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2CCCn2ccnc2)cc1OCC,C33766319_decoy,PA2GA,Decoy,0,-11.2015,-7.49,-2.8,-9.925621098449724
CC[C@@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccco1)C(=O)c1ccccc1F,C34704909_decoy,PA2GA,Decoy,0,-11.1097,-7.46,-1.36,-9.647293743820285
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2Cc2ccco2)cc1OCC,C34920406_decoy,PA2GA,Decoy,0,-10.8724,-8.5,-2.81,-10.08888940348603
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3C)=C([O-])C(=O)N2CCCN2CCOCC2)cc1,C35038575_decoy,PA2GA,Decoy,0,-10.491,-8.19,-2.06,-8.746717031691546
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2CCCN2CCOCC2)cc1OCC,C35298969_decoy,PA2GA,Decoy,0,-11.6168,-5.63,-3.31,-7.350979374825136
Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CCCN2CCOCC2)C(=O)C(C)(C)CCl)o1,C16649716_decoy,PA2GA,Decoy,0,-9.67333,-7.77,-2.08,-8.982567053990506
CCc1ccc(C(=O)N(CCCN2CCOCC2)CC(=O)N(Cc2ccccc2)Cc2ccco2)cc1,C16652332_decoy,PA2GA,Decoy,0,-9.28006,-7.17,-3.01,-9.921484016406884
CC[C@@H](C)N/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3cccc(OC)c3OC)N12,C35703603_decoy,PA2GA,Decoy,0,-9.74842,-7.24,-3.01,-8.813609403089549
O=C(CCC1CCCC1)N(CCN1CCOCC1)CC(=O)N(CCc1ccccc1)Cc1ccco1,C35764616_decoy,PA2GA,Decoy,0,-10.0074,-8.11,-1.16,-9.242180317666463
COCCCN(CC(=O)N(Cc1ccc2c(c1)OCO2)Cc1cccs1)C(=O)Cc1ccccc1,C33860117_decoy,PA2GA,Decoy,0,-12.0507,-8.3,-3.15,-10.329418861905545
CC[C@@H](C)N/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OCCOC)[C@H](c3ccc(OC)c(OC)c3)N12,C36058328_decoy,PA2GA,Decoy,0,-10.9994,-6.79,-1.99,-9.561529138693231
CC[C@H](C)N/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(OC)c(OC)c3)N12,C36058337_decoy,PA2GA,Decoy,0,-11.5889,-7.26,-2.59,-10.789060027661924
CCOC(=O)/C(C#N)=C/c1ccc(C(c2ccc(C(=O)[O-])cc2)c2ccc(/C=C(\C#N)C(=O)OCC)[nH]2)[nH]1,C17729632_decoy,PA2GA,Decoy,0,-11.7243,-8.2,-2.74,-9.248337756419458
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@@H](C)O3)[C@H]1c1ccc(OCCC(C)C)c(OC)c1,C38249652_decoy,PA2GA,Decoy,0,-10.1137,-7.93,-1.47,-11.976331440003571
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1ccc(OCCC(C)C)c(OC)c1,C38249653_decoy,PA2GA,Decoy,0,-9.88789,-7.7,-3.47,-11.452417470408085
CCOC(=O)C1=C(C)[C@@H](C(=O)OCC)S[C@H]1NC(=O)CSc1nnc(CCC(=O)[O-])c([O-])n1,C39703840_decoy,PA2GA,Decoy,0,-13.8184,-7.1,-2.75,-17.061787803672654
C=CCOc1cccc([C@H]2C(C(=O)c3cccc(OCC)c3)=C([O-])C(=O)N2CCCN2CCOCC2)c1,C39847854_decoy,PA2GA,Decoy,0,-9.9845,-7.59,-3.6,-8.727104360826196
CCCCCOc1ccc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2CCCOC)cc1OCC,C40042904_decoy,PA2GA,Decoy,0,-10.3408,-8.3,-3.2,-10.26660586072399
CCOc1cc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2CCOCCO)ccc1OCCC(C)C,C40075522_decoy,PA2GA,Decoy,0,-10.9354,-7.69,-2.24,-10.897513771678994
CCOc1cc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2CCOCCO)ccc1OCCC(C)C,C40077263_decoy,PA2GA,Decoy,0,-11.3827,-7.76,-4.29,-10.068948029621016
COc1cc([C@@H]2C(C(=O)c3ccc(OCC(C)C)cc3)=C([O-])C(=O)N2CCO)ccc1OCC(C)C,C40080949_decoy,PA2GA,Decoy,0,-10.6785,-7.38,-3.24,-9.508636987423344
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2ccc(OC)c(OC)c2)c(C)c1,C40082917_decoy,PA2GA,Decoy,0,-10.6862,-8.03,-3.31,-8.949613014932577
COc1ccc(OC)c([C@H]2C(C(=O)c3ccc(OCC(C)C)cc3C)=C([O-])C(=O)N2CCOCCO)c1,C40084748_decoy,PA2GA,Decoy,0,-10.5151,-7.39,-4.54,-8.653391605547682
COc1ccc([C@H]2C(C(=O)c3ccc(OC(C)C)c(C)c3)=C([O-])C(=O)N2CCOCCO)c(OC)c1,C40093250_decoy,PA2GA,Decoy,0,-10.5938,-8.25,-2.57,-8.995435425780357
COc1cc([C@@H]2C(C(=O)c3cc4cccc(OC)c4o3)=C([O-])C(=O)N2CCOCCO)cc(OC)c1OC,C40097780_decoy,PA2GA,Decoy,0,-11.1059,-7.18,-2.18,-10.086930423509086
COc1cc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2CCOCCO)ccc1OCC(C)C,C40098757_decoy,PA2GA,Decoy,0,-11.6948,-7.78,-2.03,-10.10882361230624
COc1cc([C@@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2CCOCCO)ccc1OCCC(C)C,C40099788_decoy,PA2GA,Decoy,0,-10.8415,-7.93,-2.42,-12.512824816734629
CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2ccc(OCCC(C)C)c(OC)c2)c1,C40100732_decoy,PA2GA,Decoy,0,-11.0754,-8.18,-1.96,-10.953995147548753
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2ccc(OCCC)c(OCC)c2)c1,C40102123_decoy,PA2GA,Decoy,0,-9.85959,-6.64,-1.62,-8.455706896992336
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2ccc(OCC=C)c(OCC)c2)c1,C40102124_decoy,PA2GA,Decoy,0,-11.2466,-6.69,-3.98,-9.713873970545675
C=CCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2ccc(N(CC)CC)cc2)c1,C40102151_decoy,PA2GA,Decoy,0,-10.6609,-5.37,-2.93,-7.015440196283286
CCOc1ccc([C@H]2C(C(=O)c3cccc(OCc4ccc(C)cc4)c3)=C([O-])C(=O)N2CCO)cc1OCC,C40109143_decoy,PA2GA,Decoy,0,-11.1716,-7.02,-2.0,-8.361947433874963
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C([O-])C(=O)N2CCCC)cc1OC,C40110978_decoy,PA2GA,Decoy,0,-11.8325,-7.1,-1.95,-9.35958769598131
CCO[C@@H]1O[C@H]([C@H](COCc2ccccc2)OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1O,C03956886_decoy,PA2GA,Decoy,0,-9.60627,-8.14,-2.56,-9.507825098708816
CC(C)COC(=O)c1ccc(NC(=O)CCC(=O)OCC(=O)c2ccc(Br)cc2)cc1,C04084576_decoy,PA2GA,Decoy,0,-9.90452,-8.33,-2.09,-8.27826694155507
CCOC(=O)c1c(C)[nH]c(C(=O)COC(=O)/C=C/c2cc(Cl)c(OC)c(OCC)c2)c1C,C09617228_decoy,PA2GA,Decoy,0,-9.76815,-6.25,-2.79,-6.408675319871546
CCCOc1ccc([C@@H](C)NC(=O)CN(C)S(=O)(=O)c2ccc(Cl)s2)cc1OCCC,C09963533_decoy,PA2GA,Decoy,0,-12.4701,-7.22,-1.65,-9.778098715144688
COc1cc(NC(=O)c2cccs2)c(C(=O)OCC(=O)N(CC(C)C)CC(C)C)cc1OC,C11344432_decoy,PA2GA,Decoy,0,-9.31605,-6.84,-3.46,-8.103664387936904
COc1ccccc1C(=O)N[C@H](CCSC)C(=O)OCC(=O)N(C1CCCCC1)C1CCCCC1,C13148274_decoy,PA2GA,Decoy,0,-11.5443,-8.04,-2.99,-10.305179030799184
CCOC(=O)c1sc(NC(=O)c2ccc(OC(F)F)c(OCC)c2)c(C(=O)OC(C)C)c1C,C13959875_decoy,PA2GA,Decoy,0,-10.3746,-7.38,-3.02,-8.180595122852326
CCCOc1ccc(/C=C/C(=O)O[C@@H](C)C(=O)c2ccc(NC(=O)CCC)cc2)cc1OCC,C15355486_decoy,PA2GA,Decoy,0,-10.4799,-7.08,-5.04,-7.83659773042963
CCO[C@@H]1O[C@H]([C@@H](COCc2ccccc2)OCc2ccccc2)[C@@H](OCc2ccccc2)[C@H]1O,C04245719_decoy,PA2GA,Decoy,0,-7.87919,-8.54,-3.98,-8.85091033277853
COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)CC(C)(C)C,C16648055_decoy,PA2GA,Decoy,0,-8.73384,-7.61,-3.99,-9.148271992691472
CCOC(=O)c1ccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccco2)CC(C)C)cc1,C16653113_decoy,PA2GA,Decoy,0,-9.51635,-8.38,-1.09,-9.14171299344229
CCCCn1c(SCC(=O)NC(C)(C)CC)nc2cc(S(=O)(=O)N(CC)CC)ccc21,C19316258_decoy,PA2GA,Decoy,0,-9.73204,-6.43,-2.23,-7.775203746707895
CCCCn1c(S[C@H](C)C(=O)NCC(C)C)nc2cc(S(=O)(=O)N(CC)CC)ccc21,C21604178_decoy,PA2GA,Decoy,0,-11.182,-6.79,-2.76,-10.4325991179289
CCOc1ccc(C(=O)NCC(=O)OCc2csc(-c3ccc(OCC)c(OC)c3)n2)cc1,C22146640_decoy,PA2GA,Decoy,0,-11.1974,-7.77,-1.39,-8.738673178205978
COc1ccc(N(CC(=O)NCCCSCc2ccco2)S(=O)(=O)c2ccc(C)cc2)cc1,C22321635_decoy,PA2GA,Decoy,0,-11.0484,-6.5,-2.44,-8.605838333489487
CS(=O)(=O)N(CC(=O)NCCCSCc1ccco1)c1ccc(Oc2ccccc2)cc1,C22338916_decoy,PA2GA,Decoy,0,-10.8445,-7.8,-1.75,-10.228894203913685
CCCCn1c(=O)[nH]c(=O)c2c1nc(COC(=O)CCSc1ccc(Cl)cc1)n2CCC,C22403833_decoy,PA2GA,Decoy,0,-11.1661,-7.75,-2.2,-13.01927944229088
CC(C)Oc1ccc(N(CC(=O)NCCCSCc2ccc(Cl)cc2)S(C)(=O)=O)cc1,C22424901_decoy,PA2GA,Decoy,0,-11.3046,-7.2,-1.12,-10.078570761302458
Cc1ccc(S(=O)(=O)N(CC(=O)NCCCO[C@H](C)c2ccccc2)Cc2ccco2)cc1,C23021415_decoy,PA2GA,Decoy,0,-10.3933,-7.38,-4.13,-8.456461003447101
CCOC(=O)CSc1nnc(NC(=O)c2cc(Cl)c(OCCC(C)C)c(OC)c2)s1,C29392111_decoy,PA2GA,Decoy,0,-12.218,-7.81,-2.8,-12.148895968595053
CCOc1ccc(CN(CCc2c[nH]c3ccccc23)C(=O)CN(CC(C)C)C(=O)CC)cc1,C33408990_decoy,PA2GA,Decoy,0,-9.76164,-7.33,-1.79,-8.809201449867178
CCCCCCN1C(=O)/C(=C\c2c(NCCCOCC)nc3ccc(C)cn3c2=O)SC1=S,C33475546_decoy,PA2GA,Decoy,0,-10.4212,-6.66,-3.3,-8.109047113580875
CCOC(=O)CCC(=O)N(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccccc1Cl)CC(C)C,C35130443_decoy,PA2GA,Decoy,0,-9.58706,-7.96,-4.39,-11.274699694418668
COCCCN(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccccc1)C(=O)c1cccs1,C35350532_decoy,PA2GA,Decoy,0,-10.3801,-7.24,-4.02,-9.068884376834454
CC[NH+](CC)CCCN1C(=O)C([O-])=C(C(=O)/C=C/c2ccccc2)[C@@H]1c1ccc(C(=O)OC)cc1,C35444809_decoy,PA2GA,Decoy,0,-9.27917,-7.23,-4.03,-7.870233238388669
CCCC(=O)N(CC(=O)N(CCc1c[nH]c2ccccc12)Cc1ccc(OCC)cc1)CC(C)C,C35761109_decoy,PA2GA,Decoy,0,-8.90503,-6.82,,99.0
CCc1nn(-c2ccccc2)c(Oc2ccccc2OC)c1CN(CC1CC1)C[C@H](O)c1ccccc1,C35777409_decoy,PA2GA,Decoy,0,-10.4226,-9.2,-4.12,-9.881041491010189
CCc1nn(-c2ccccc2)c(Oc2ccccc2F)c1CN(CCOC)C[C@H](O)c1ccccc1,C35777452_decoy,PA2GA,Decoy,0,-9.9341,-6.95,-1.94,-8.658048688600918
CCOC(=O)c1[nH]c(C)c(C(=O)[C@H](C)N(CCOC)S(=O)(=O)c2ccc(C(C)(C)C)cc2)c1C,C35869550_decoy,PA2GA,Decoy,0,-9.98901,-7.93,-3.15,-10.630331058151343
Cc1ccc(-c2noc(CCN(Cc3ccco3)C[C@@H](O)COCc3ccccc3)n2)cc1Cl,C36147539_decoy,PA2GA,Decoy,0,-10.7858,-6.98,-1.99,-7.624876515326314
CCCC(O)(CCC)c1ccc(CN(CCN2CCOCC2)Cc2cccc(OC)c2OC)o1,C36202318_decoy,PA2GA,Decoy,0,-11.6302,-7.03,-4.04,-10.495223614915195
CCCCNC(=O)[C@H](c1cccc(OC)c1)N(Cc1ccco1)C(=O)[C@@H](OC)c1ccccc1,C36494954_decoy,PA2GA,Decoy,0,-9.89335,-6.8,-3.37,-8.570135152248413
CCCCNC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)N(Cc1ccco1)C(=O)[C@@H](CC)c1ccccc1,C36497178_decoy,PA2GA,Decoy,0,-9.23204,-7.83,-1.64,-11.635179460465324
CCCCNC(=O)[C@@H](c1ccc(N(C)C)cc1)N(Cc1ccco1)C(=O)[C@@H](CC)c1ccccc1,C36497263_decoy,PA2GA,Decoy,0,-9.35077,-7.35,-2.86,-9.479270270521257
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccco1)C(=O)CCCC,C36507320_decoy,PA2GA,Decoy,0,-9.48121,-7.68,-2.07,-9.448089858688766
CCCC[C@@H](CC)C(=O)N(C)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(OC)cc1,C36527082_decoy,PA2GA,Decoy,0,-8.62618,-8.32,-3.65,-8.374392878288644
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(Cc1ccc(C)o1)C(=O)CC(C)C,C36556141_decoy,PA2GA,Decoy,0,-10.3009,-8.52,-2.24,-12.076272738105596
CCCCNC(=O)[C@H]([C@@H](C)c1ccccc1)N(Cc1ccc(C)o1)C(=O)[C@@H](OC)c1ccccc1,C36556382_decoy,PA2GA,Decoy,0,-9.20017,-7.08,-0.5,-9.19508885099517
CCCN(C(=O)[C@@H](OC)c1ccccc1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1,C36561314_decoy,PA2GA,Decoy,0,-7.92496,-6.87,-2.64,-7.104175612707867
CCCCC/C=C/C(=O)N(CCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccco1,C36563588_decoy,PA2GA,Decoy,0,-9.53796,-7.79,-3.45,-8.301027407469478
CCCCCC(=O)N(CCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C,C36574988_decoy,PA2GA,Decoy,0,-8.48899,-7.56,-5.02,-9.84598210580755
CCCC[C@H](CC)C(=O)N([C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccco1)C(C)(C)C,C36582700_decoy,PA2GA,Decoy,0,-9.01224,-7.74,-3.43,-7.784502550181285
CCCCNC(=O)[C@@H](c1ccc([N+](=O)[O-])cc1)N(C(=O)CCc1ccc(OC)cc1)C(C)(C)C,C36587493_decoy,PA2GA,Decoy,0,-8.1127,-5.61,-3.09,-6.678815239996474
CCCCNC(=O)/C(C#N)=C/c1ccc(OC(=O)CCCOc2cc(C)ccc2C)c(OC)c1,C40990561_decoy,PA2GA,Decoy,0,-9.81806,-7.95,-2.72,-7.833455372309162
CCCC[C@@H](CC)CNC(=O)c1cc(-c2csc(C(=O)OCC)n2)n(C[C@H]2CCCO2)c1C,C43252309_decoy,PA2GA,Decoy,0,-12.6639,-7.56,-4.46,-9.767536485755942
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@@H](C)CCCC(C)C)n2CC,C25344371_decoy,PA2GA,Decoy,0,-12.412,-6.58,-2.55,-8.987106628342623
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)N[C@H](C)CCCC(C)C)n2CC,C25344375_decoy,PA2GA,Decoy,0,-11.0107,-7.45,-3.27,-8.095541511972549
CCCN(CC(=O)Nc1ccccc1C)C(=O)COC(=O)CSC(=S)N1CCC(C)CC1,C57854197_decoy,PA2GA,Decoy,0,-10.8583,-6.97,-3.85,-8.235209956547655
CCOc1ccc(NC(=S)N(Cc2ccc(OC)cc2)Cc2ccc(OC)c(OC)c2)cc1,C59059805_decoy,PA2GA,Decoy,0,-10.0477,-6.57,-2.45,-8.099763925281835
CCOc1ccc(CCNC(=S)N(Cc2ccc(OC)cc2)Cc2ccco2)cc1OCC,C59074555_decoy,PA2GA,Decoy,0,-10.0199,-6.68,-2.48,-7.801295413748278
O=C1C[C@@H](c2ccc(Cl)cc2)c2sc(C(=O)[O-])c(-c3ccc(F)cc3)c2N1,C12374683_decoy,PA2GA,Decoy,0,-10.5881,-5.74,-1.48,-8.70085726665728
O=C([O-])c1ccc([C@@H]2Nc3ccc(I)cc3[C@H]3C=CC[C@@H]32)cc1,C09010395_decoy,PA2GA,Decoy,0,-8.83455,-6.63,-1.07,-5.700323478824291
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/c2ccc(Br)c(C(F)(F)F)c2)c1,C13548905_decoy,PA2GA,Decoy,0,-7.77062,-6.4,-3.07,-5.010674446814961
CC1=C(C)C[C@@H](C(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)C)C3)[C@@H](C(=O)[O-])C1,C17090086_decoy,PA2GA,Decoy,0,-14.8041,-7.59,-1.09,-8.556672210522619
Cc1cccc2oc(-c3ccc(/N=C/c4cc(Br)cc(Br)c4[O-])cc3)nc12,C03114107_decoy,PA2GA,Decoy,0,-10.2678,-8.75,-2.05,-8.93618518801191
Cc1ccc([N-]S(=O)(=O)c2cc(Cl)cc(Cl)c2)c(Br)c1,C20302172_decoy,PA2GA,Decoy,0,-10.1415,-7.03,-2.29,-7.557005360910147
Cc1ccc(C23CC4CC(CC(C4)C2)C3)cc1/N=C/c1cc(Br)cc(Br)c1[O-],C20615358_decoy,PA2GA,Decoy,0,-11.8914,-10.17,-2.8,-10.48102188929067
CC(C)(C)[C@H]1CCc2c(sc3nc([O-])n4nc(-c5ccccc5Cl)nc4c23)C1,C27516870_decoy,PA2GA,Decoy,0,-12.6218,-8.54,-0.47,-9.685653319548862
Cc1sc2nc(/C(C#N)=C/c3ccc(-c4cccc(C(F)(F)F)c4)o3)nc([O-])c2c1C,C28356495_decoy,PA2GA,Decoy,0,-12.6081,-6.3,-2.5,-6.372798152510733
N#CC1=C([S-])N(c2ccc(Cl)cc2)[C@H](c2ccc(-c3cccc(C(F)(F)F)c3)o2)NC1=O,C28356580_decoy,PA2GA,Decoy,0,-10.5458,-8.42,-2.22,-7.823836267906595
Cc1ccc(N2C([S-])=C(C#N)C(=O)N[C@H]2c2ccc(-c3cc(Cl)ccc3Cl)o2)cc1,C28356877_decoy,PA2GA,Decoy,0,-12.4623,-6.1,,99.0
CC(C)(Cl)c1nc([S-])c2cc(Br)cc(Br)c2n1,C05461018_decoy,PA2GA,Decoy,0,-10.921,-6.8,-0.41,-12.223111026520398
O=C1C([O-])=C(C(c2ccccc2)c2ccccc2)C(=O)c2cc(Br)ccc21,C05479633_decoy,PA2GA,Decoy,0,-7.50909,-8.97,-1.99,-6.477748079229049
O=C([O-])c1ccc(Cl)c2c1[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2,C32192950_decoy,PA2GA,Decoy,0,-9.37351,-5.92,-0.71,-5.858312874426859
Cc1ccc(CN2CCN(/N=C\c3cc(Br)cc(Br)c3[O-])CC2)c(C)c1,C33097048_decoy,PA2GA,Decoy,0,-10.4942,-8.31,-1.57,-8.43276241806922
Cc1ccc2nc(-c3ccc([N-]S(=O)(=O)c4ccc(C)c(F)c4)cc3Cl)sc2c1,C33169067_decoy,PA2GA,Decoy,0,-11.3999,-8.77,-3.77,-7.164515751356373
[O-]c1c(Cl)cc(Br)cc1/C=N\c1ccc(I)cc1,C03115099_decoy,PA2GA,Decoy,0,-8.30733,-7.32,-1.06,-5.881672555403358
FC(F)(F)c1cnc2c(-c3cccs3)c(-c3nnc([S-])n3-c3ccccc3)sc2c1,C01392025_decoy,PA2GA,Decoy,0,-12.7109,-8.6,-3.57,-10.520031449678688
O=C(C1=C([O-])C(=O)N(c2nc3ccc(F)cc3s2)[C@H]1c1cccs1)c1ccc(Cl)cc1,C33555387_decoy,PA2GA,Decoy,0,-10.8696,-7.28,-3.92,-7.805085245876462
[O-]C1=NC(=S)S/C1=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1,C33568616_decoy,PA2GA,Decoy,0,-12.4613,-6.97,-2.93,-7.78696723130246
Cc1cc([O-])c(/C=N/c2ccc3oc(-c4cccc(I)c4)nc3c2)c(C)c1Cl,C02071409_decoy,PA2GA,Decoy,0,-11.1912,-8.04,-1.65,-8.164260531637723
O=c1c(Sc2cc(Cl)c(Cl)cc2Cl)c([O-])n(-c2ccccc2)c2ccccc12,C08384874_decoy,PA2GA,Decoy,0,-10.7634,-6.72,-1.94,-6.223139651554744
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nc4ccc(F)cc4s3)[C@@H]2c2cccs2)c1,C34954315_decoy,PA2GA,Decoy,0,-12.3114,-8.86,-3.49,-9.49788893771406
Cc1ccc(N2C(=O)/C(=C\c3cc(Cl)cc(Cl)c3[O-])N=C2S)cc1C,C08319440_decoy,PA2GA,Decoy,0,-9.84237,-7.69,-1.62,-6.41586392937
N#C/C(=C\c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc([O-])c2cc(Cl)ccc2n1,C35518903_decoy,PA2GA,Decoy,0,-11.8903,-8.48,-2.54,-8.150043688878917
Cc1cc(S(=O)(=O)[N-]c2ccc(Cl)c(Cl)c2)ccc1Br,C37385718_decoy,PA2GA,Decoy,0,-10.031,-6.98,-1.76,-7.162896606372785
O=S(=O)([N-]c1cccc(Cl)c1Cl)c1c(Cl)cc(Br)cc1Cl,C37385908_decoy,PA2GA,Decoy,0,-11.3285,-7.54,-2.89,-8.644031687709731
Cc1ccc(Cl)c([N-]S(=O)(=O)c2cc(Br)ccc2Br)c1Cl,C37385934_decoy,PA2GA,Decoy,0,-11.0235,-7.68,-2.08,-9.479442579486111
Cc1cc(S(=O)(=O)[N-]c2c(Cl)cc(Cl)cc2Cl)ccc1Br,C37387075_decoy,PA2GA,Decoy,0,-11.4336,-7.32,-1.4,-8.419073961667223
Cc1cc([O-])c(C2=Nc3ccccc3S[C@@H](c3cc(Cl)cc(Cl)c3O)C2)c(=O)o1,C00754238_decoy,PA2GA,Decoy,0,-8.96968,-7.95,-2.43,-6.847013826669602
Cc1cc([O-])c(C2=Nc3cc(C(F)(F)F)ccc3S[C@H](c3ccc(C(C)C)cc3)C2)c(=O)o1,C08951169_decoy,PA2GA,Decoy,0,-9.72628,-6.97,-3.55,-5.527934402459642
COc1c(Br)cc(Br)cc1/C=C/c1cc(C(F)(F)F)nc([O-])n1,C12417989_decoy,PA2GA,Decoy,0,-12.5326,-6.44,-1.74,-6.909170253927741
Cc1ccc(N2C([S-])=C(C#N)C(=O)N[C@H]2c2ccc(-c3cccc(C(F)(F)F)c3)o2)c(C)c1,C39887519_decoy,PA2GA,Decoy,0,-10.4428,-7.28,-1.51,-8.510012248985262
Cc1ccc(N2C([S-])=C(C#N)C(=O)N[C@H]2c2ccc(-c3ccc(Cl)cc3)o2)cc1C,C39887705_decoy,PA2GA,Decoy,0,-9.06036,-6.58,-2.78,-5.514027408716507
Cc1ccc(N2C(=O)[C@@H]3[C@H]4C[C@H]([C@H]5Sc6nc([S-])sc6[C@@H](c6ccc(F)cc6)[C@H]45)[C@@H]3C2=O)cc1,C40475297_decoy,PA2GA,Decoy,0,-11.2047,-6.24,-1.22,-5.072877642862469
O=S(=O)([N-]c1nc(-c2cccc(Br)c2)cs1)c1ccc2ccccc2c1,C40945542_decoy,PA2GA,Decoy,0,-9.38642,-8.68,-2.7,-6.554835122851416
O=S(=O)([N-]c1c(Cl)cc(Cl)cc1Cl)c1ccc(Br)s1,C42337461_decoy,PA2GA,Decoy,0,-11.3528,-6.89,-2.05,-8.180690959582117
Cc1c(F)cccc1[N-]S(=O)(=O)c1c(Cl)cc(Br)cc1Cl,C43322908_decoy,PA2GA,Decoy,0,-8.64189,-7.43,-1.83,-7.09843466369973
CN1C(=O)/C(=C2/S/C(=N/c3cccc(C(F)(F)F)c3)N=C2[O-])c2ccccc21,C33334705_decoy,PA2GA,Decoy,0,-11.311,-9.41,-1.63,-8.460874249935797
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccccc4C)C(=S)N=C3[O-])o2)cc1,C59137957_decoy,PA2GA,Decoy,0,-11.8646,-8.43,-1.65,-7.1869666311679286
Cc1ccc(/N=C2/N=C([O-])/C(=C3/C(=O)N(C(C)C)c4ccc(Br)cc43)S2)c(C)c1,C59145952_decoy,PA2GA,Decoy,0,-10.2925,-6.21,-0.98,-5.842369309102877
Oc1ccc(I)cc1/C=N/c1ccc2nc([S-])sc2c1,C59502665_decoy,PA2GA,Decoy,0,-10.8209,-6.27,-1.06,-6.938050800291142
Cc1cc(Br)c2c(c1)/C(=C1\SC([N-]c3ccccc3Cl)=NC1=O)C(=O)N2,C15015836_decoy,PA2GA,Decoy,0,-12.7865,-10.33,-1.64,-9.02142478905585
CN1C(=O)/C(=C2\S/C(=N/c3cccc(C(F)(F)F)c3)N=C2[O-])c2ccccc21,C16901375_decoy,PA2GA,Decoy,0,-10.8422,-7.75,-1.37,-6.323075610250818
CN(C)c1ccc(/C=C2\SC([N-]c3cccc(Br)c3)=NC2=O)cc1Br,C09311835_decoy,PA2GA,Decoy,0,-11.7035,-8.68,-1.53,-7.67116597312457
CC[C@H](C)SC1=NC(=O)[C@@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1ccc(Cl)c(Cl)c1,C39775356_decoy,PA2GA,Decoy,0,-12.5159,-5.99,-1.99,-6.062922895338425
Cc1ccc(N2C([S-])=N/C(=N\c3ccccc3C)[C@@]23CCOC(C)(C)C3)cc1,C13477762_decoy,PA2GA,Decoy,0,-9.2933,-7.65,-0.95,-7.266331284893208
CC(C)CSC1=NC(=O)[C@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1ccc(Br)cc1,C63448030_decoy,PA2GA,Decoy,0,-11.7461,-5.52,-1.32,-5.767192484942819
CC(C)(C)c1cc(O)c2c(c1)Cc1c([S-])nc(-c3cc(Cl)ccc3O)nc1O2,C15830912_decoy,PA2GA,Decoy,0,-11.974,-7.93,-0.81,-7.23477418476042
O=C1C[C@H](c2cc(Cl)ccc2F)c2sc(C(=O)[O-])c(-c3ccc(F)cc3)c2N1,C64796629_decoy,PA2GA,Decoy,0,-9.42764,-5.61,-2.36,-5.105602593914461
O=C([O-])c1sc2cc(C(F)(F)F)cnc2c1-c1cccnc1,C01400616_decoy,PA2GA,Decoy,0,-9.53506,-8.46,-0.48,-10.217735411924847
Cc1cc([O-])c(C2=NCCS[C@H](c3ccc(Cl)c(Cl)c3)C2)c(=O)o1,C05441446_decoy,PA2GA,Decoy,0,-11.2572,-6.98,-1.14,-6.7326450084138125
Cc1cc(Br)c(-n2cnnc2[S-])c(Br)c1,C20583421_decoy,PA2GA,Decoy,0,-8.58156,-6.24,-0.86,-6.132901113661115
[O-]/C(=N\c1nc(-c2ccc(Br)cc2)cs1)C(F)(F)F,C06926595_decoy,PA2GA,Decoy,0,-8.88156,-7.68,-0.83,-9.087098954744365
Cc1ccc(Br)cc1S(=O)(=O)[N-]c1cc(F)cc(F)c1,C28781294_decoy,PA2GA,Decoy,0,-10.715,-7.48,-1.3,-10.386569232403575
O=S(=O)([N-]c1cc(F)cc(F)c1)c1c(F)cc(F)cc1Br,C28794347_decoy,PA2GA,Decoy,0,-10.0447,-7.96,-2.01,-7.541112909402154
O=S(=O)([N-]c1cc(F)ccc1F)c1ccc(F)cc1Br,C32926333_decoy,PA2GA,Decoy,0,-9.44294,-7.9,-1.77,-7.413483768721201
O=S(=O)([N-]c1ccccc1Cl)c1cnc(Cl)c(Cl)c1,C35552404_decoy,PA2GA,Decoy,0,-9.44543,-6.7,-1.23,-7.212172862543245
Fc1ccc(Br)cc1-n1c([S-])nnc1-c1cccs1,C36752661_decoy,PA2GA,Decoy,0,-12.0972,-7.69,-1.12,-12.44629902287494
O=S(=O)([N-]c1cc(Cl)cc(Cl)c1)c1ccc(CCCl)cc1,C36900466_decoy,PA2GA,Decoy,0,-10.1286,-7.36,-1.14,-7.900850674069263
CC(C)c1nnc([S-])n1-c1c(F)cc(F)cc1Br,C37393050_decoy,PA2GA,Decoy,0,-10.2418,-7.44,-1.79,-7.2596676872794
CSc1cccc([N-]S(=O)(=O)c2ccc(F)cc2Br)c1,C37408640_decoy,PA2GA,Decoy,0,-7.8027,-7.24,-2.16,-5.85693274462284
O=S(=O)(CCCCl)[N-]c1cc(Br)ccc1Br,C37843518_decoy,PA2GA,Decoy,0,-10.2336,-5.9,-1.5,-8.852767224489554
O=S(=O)([N-]c1ccc(Br)cc1F)c1c(F)cc(F)cc1F,C37909026_decoy,PA2GA,Decoy,0,-8.7876,-8.3,-2.33,-7.438675336356737
Cc1cc([N-]S(=O)(=O)c2c(F)cc(F)cc2F)ccc1Br,C37909027_decoy,PA2GA,Decoy,0,-9.14257,-8.18,-2.2,-7.079257341020535
O=S(=O)([N-]c1ccc(F)cc1Br)c1c(F)cc(F)cc1F,C37909031_decoy,PA2GA,Decoy,0,-8.76522,-7.85,-1.16,-7.162866087293814
C[C@H]1C(C(=O)[O-])=NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2,C39313654_decoy,PA2GA,Decoy,0,-11.0977,-7.53,-0.98,-11.023560183517644
C[C@@H]1C(C(=O)[O-])=NC2=C1C(=O)C[C@H](c1ccc(C(C)(C)C)cc1)C2,C39313656_decoy,PA2GA,Decoy,0,-10.7112,-6.91,-1.43,-7.282724754817099
O=S(=O)([N-]c1cccc(F)c1F)c1ccc(Br)cc1,C40231543_decoy,PA2GA,Decoy,0,-10.1527,-6.97,-0.71,-8.465527566858558
[O-]c1nc2ccc([C@@H](Cl)c3cccc(I)c3)cc2o1,C40273623_decoy,PA2GA,Decoy,0,-9.03551,-8.02,-0.79,-9.85501332405168
Cc1ccc([C@H](Br)c2ccc3nc([O-])oc3c2)cc1C,C40285702_decoy,PA2GA,Decoy,0,-9.60066,-7.96,-1.75,-10.611998341790494
Cc1ccc([N-]S(=O)(=O)c2cc(Br)cnc2Cl)cc1C,C41065685_decoy,PA2GA,Decoy,0,-11.3437,-5.17,-2.11,-7.091431139213456
CC(C)(C)c1cc([N-]S(=O)(=O)c2ccc(Cl)cc2)ccn1,C41528856_decoy,PA2GA,Decoy,0,-10.15,-6.5,-0.51,-7.712004058096734
O=S(=O)([N-]c1cc(F)cc(F)c1)c1sccc1Br,C42350537_decoy,PA2GA,Decoy,0,-9.76314,-6.96,-0.87,-7.646937401907426
O=S(=O)([N-]c1cccc(F)c1F)c1ccc(Br)s1,C42412936_decoy,PA2GA,Decoy,0,-9.08371,-6.45,-1.19,-6.620865688098774
CC(C)C1=C[C@@]23CC[C@H]4[C@@H](CCC[C@H]4C(=O)[O-])[C@@H]2C[C@@H]1[C@H]1C(=O)C=CC(=O)[C@@H]13,C44786632_decoy,PA2GA,Decoy,0,-13.3177,-9.78,-1.93,-12.367693544185247
O=S(=O)([N-]c1cccc(F)c1)c1ccc(I)cc1,C48430057_decoy,PA2GA,Decoy,0,-9.00221,-7.31,-0.68,-7.383840663277873
[O-]c1nc(-c2cccs2)nc2c(Br)cc(Br)cc12,C48606386_decoy,PA2GA,Decoy,0,-10.9397,-7.16,-0.42,-7.554890943148275
[O-]c1c2sccc2nc(=S)n1Cc1cccc(Br)c1,C48866573_decoy,PA2GA,Decoy,0,-10.3589,-7.8,-1.6,-10.104715343065925
N#C/C(C(=O)N1CCCCC1)=C(/[O-])c1cc(Cl)sc1Cl,C48981335_decoy,PA2GA,Decoy,0,-10.4547,-7.64,-0.93,-8.621623135570458
O=S(=O)([N-]c1cccc(F)c1F)c1cc(Cl)ccc1Cl,C49375352_decoy,PA2GA,Decoy,0,-10.2031,-7.68,-1.73,-7.627322379628364
COc1ccc(Br)cc1-n1c([O-])c2sccc2nc1=S,C49569697_decoy,PA2GA,Decoy,0,-10.5696,-7.6,-1.23,-8.672866052161742
Cc1cc(S(=O)(=O)[N-]c2cc(C#N)ccc2C)ccc1Br,C50212743_decoy,PA2GA,Decoy,0,-11.277,-8.21,-1.37,-8.57155927669466
N#Cc1cc([N-]S(=O)(=O)c2ccc(Br)s2)ccc1F,C51637897_decoy,PA2GA,Decoy,0,-12.2535,-7.44,-1.56,-10.142602609928616
O=C1N=C([N-]c2ccc(Br)cc2)S/C1=C/c1cccs1,C17823030_decoy,PA2GA,Decoy,0,-11.7067,-5.34,-0.54,-6.608305516517084
O=S(=O)([N-]c1nc2ccccc2s1)c1ccc(F)cc1F,C13947963_decoy,PA2GA,Decoy,0,-10.7479,-7.6,-1.75,-7.478074933246076
Cc1cnc2c(S(=O)(=O)[N-]c3ccc(C)c(F)c3)cccc2c1,C23371305_decoy,PA2GA,Decoy,0,-9.43159,-8.13,-1.9,-7.943754108481637
Cc1ccc(/C=C(\C#N)c2nc([O-])c3cc(Br)ccc3n2)s1,C25582398_decoy,PA2GA,Decoy,0,-13.464,-7.17,-2.48,-7.395733917081087
Cc1ccc(S(=O)(=O)[N-]c2ccc(Cl)cc2C(F)(F)F)cc1,C05617771_decoy,PA2GA,Decoy,0,-8.05796,-7.83,-2.33,-7.744384901147885
O=S(=O)([N-]c1cccnc1Cl)c1cc(Cl)sc1Cl,C60544757_decoy,PA2GA,Decoy,0,-11.4294,-6.61,-0.57,-11.00882373810405
O=S(=O)([N-]c1cccc(C2SCCCS2)c1)c1cc(F)ccc1F,C18708308_decoy,PA2GA,Decoy,0,-11.8459,-7.48,-1.03,-8.18557108143984
O=S(=O)([N-]c1cc(Br)ccc1Cl)c1cncc(F)c1,C61693112_decoy,PA2GA,Decoy,0,-10.8136,-7.07,-1.0,-11.758017986547186
CC(C)(CC(=O)[O-])CC(=O)c1cc(Br)sc1Br,C61824847_decoy,PA2GA,Decoy,0,-11.5643,-5.8,-2.14,-11.003550988122496
Cc1cc([O-])c(C2=Nc3ccccc3S[C@H](c3ccc(F)cc3)C2)c(=O)o1,C13122482_decoy,PA2GA,Decoy,0,-9.80998,-6.77,-1.14,-6.220377240136101
Cc1ccc(S(=O)(=O)[N-]c2ccc(-c3ccccc3)nc2)cc1,C62545897_decoy,PA2GA,Decoy,0,-10.583,-7.21,-2.16,-7.8754235409792095
[O-]c1c2ccccc2nc(=S)n1-c1cccc(Br)c1,C17068503_decoy,PA2GA,Decoy,0,-9.16664,-8.34,-1.08,-7.084751333160793
O=S(=O)(c1ccc(F)c(Cl)c1)c1cnc2c(F)cc(Cl)cc2c1[O-],C15829423_decoy,PA2GA,Decoy,0,-11.0409,-8.78,-2.2,-8.566251603949098
N#C/C(C(=O)N1CCCC1)=C(/[O-])c1ccc(F)c(C(F)(F)F)c1,C65649433_decoy,PA2GA,Decoy,0,-10.1152,-8.31,-1.81,-8.58197608492033
O=S(=O)([N-]c1ccc(N2CCCC2)c(F)c1)C1CCCCC1,C66582342_decoy,PA2GA,Decoy,0,-10.3856,-6.55,-1.83,-7.104015273621393
Cc1ccc(-c2csc3nc(C(F)(F)F)nc([O-])c23)c(C)c1,C66606472_decoy,PA2GA,Decoy,0,-9.003,-7.7,-1.78,-6.735995297862223
C[C@H]1C[C@@H](N(C(=O)C(C)(C)C)c2ccccc2)c2ccccc2N1C(=O)c1ccccc1,C04550906_decoy,PA2GA,Decoy,0,-9.67693,-10.13,-4.12,-12.025354092669854
O=C1[C@@H](c2ccc(Cl)cc2)N(C2CCCCCCC2)C(=O)CN1C1CCCCCC1,C03039023_decoy,PA2GA,Decoy,0,-8.92457,-8.35,-1.43,-6.884657559970803
CSc1nc(N2CCCCC2)c2sc3nc(CC(C)C)c4c(c3c2n1)CCC4,C02416947_decoy,PA2GA,Decoy,0,-12.7302,-7.58,-1.16,-9.971288127709684
c1cncc(-c2nc(Oc3ccc4ccccc4c3)c3c4c(sc3n2)CCCC4)c1,C03330505_decoy,PA2GA,Decoy,0,-10.6157,-9.76,-1.66,-9.295837554947491
c1csc(-c2nc3cc(Cc4ccc5nc(-c6cccs6)oc5c4)ccc3o2)c1,C02894667_decoy,PA2GA,Decoy,0,-12.8509,-10.47,-0.85,-15.355461463989853
O=C(c1ccccc1)c1oc2ccc(Cl)cc2c1-c1cnc2c(c1)COc1ccccc1-2,C08448330_decoy,PA2GA,Decoy,0,-10.1155,-8.24,-1.19,-6.641293612465908
O=C(c1cc(Cl)sc1Cl)N(/N=C/c1cccs1)c1nc2ccccc2s1,C09147905_decoy,PA2GA,Decoy,0,-11.9089,-7.6,-1.1,-10.87481214695543
Cc1ccc(C(=O)c2cnc3ccc(C)cc3c2S(=O)(=O)c2ccc(C)c(C)c2)cc1,C09847507_decoy,PA2GA,Decoy,0,-7.99827,-9.63,-2.7,-7.664226445681792
O=C(Oc1cc(-c2ccc(Cl)cc2)c2oc(=O)sc2c1)c1ccc(Cl)cc1,C02669223_decoy,PA2GA,Decoy,0,-9.63246,-8.52,-1.38,-13.595592656886678
CCOc1ccc2nc(Sc3ncnc4scc(-c5ccc(C)cc5)c34)sc2c1,C12549902_decoy,PA2GA,Decoy,0,-11.459,-7.72,-0.9,-9.882082605503973
FC(F)(F)c1cnc(Oc2ccccc2/N=c2\ssnc2Cl)c(Cl)c1,C12959018_decoy,PA2GA,Decoy,0,-10.6525,-7.86,-2.26,-6.135692662825072
CN1/C(=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)Sc2ccccc21,C13306346_decoy,PA2GA,Decoy,0,-9.63694,-7.67,-1.92,-6.76345449136312
Cc1ccc(-c2nn(-c3nc(C)cc(C(F)(F)F)n3)c(-c3ccc(C)cc3)c2Cl)cc1,C13643486_decoy,PA2GA,Decoy,0,-8.72707,-8.35,-3.66,-7.36737776505668
CCCn1c(-c2ccc3c(c2)OCCO3)cs/c1=N\c1ccc(Cl)c(Cl)c1,C14356916_decoy,PA2GA,Decoy,0,-10.7985,-8.33,-1.62,-9.650989594562605
Cc1ccc(-c2cc(-c3ccc(C)c(C)c3)n(Cn3nc(C)c(Cl)c3C)n2)cc1C,C17091731_decoy,PA2GA,Decoy,0,-8.84026,-8.23,-2.02,-6.464477865398719
Cc1ccc(-n2c(=O)c3sc4ccccc4c3n(Cc3ccccc3C)c2=O)cc1C,C20354854_decoy,PA2GA,Decoy,0,-9.31692,-8.58,-0.89,-8.03203291111396
Cc1ccc(C)c(Cn2c(=O)n(-c3ccc(C)c(F)c3)c(=O)c3sc4ccccc4c32)c1,C20859833_decoy,PA2GA,Decoy,0,-11.3833,-8.58,-0.56,-10.931133479686247
O=C(c1ccc(S(=O)(=O)C(F)(F)F)cc1)N1CCCc2cc(C(F)(F)F)ccc21,C24473612_decoy,PA2GA,Decoy,0,-8.07137,-7.83,-1.43,-6.6002864183364425
N#CC(C#N)=C1C=C(/C=C/c2cc3c4c(c2)CCCN4CCC3)OC(c2ccccc2)=C1,C27515362_decoy,PA2GA,Decoy,0,-8.71804,-7.39,-1.86,-6.048491015746171
Cc1ccc(Sc2nc3ccc(C)cc3cc2/C=C2/N=C(c3ccccc3)OC2=O)cc1,C27572992_decoy,PA2GA,Decoy,0,-9.39575,-8.61,-1.08,-8.276306567883513
Cc1cccc(C2=N/C(=C/c3cc4cc(C)ccc4nc3Sc3ccccc3)C(=O)O2)c1,C27573013_decoy,PA2GA,Decoy,0,-10.785,-9.53,-1.07,-11.197055750596888
Fc1cccc(F)c1-c1noc(-c2cc(-c3ccc(Cl)cc3)nc3ccccc23)n1,C27837705_decoy,PA2GA,Decoy,0,-9.99696,-5.92,-3.54,-5.014093905451602
COc1ccc(C2=NN(c3nc(-c4ccc(C)cc4)cs3)[C@@H](c3ccc(F)cc3)C2)cc1,C28061924_decoy,PA2GA,Decoy,0,-11.3627,-8.24,-2.65,-7.6359150354512035
O=c1c2nn(-c3ccccc3Cl)c(-c3ccc(Cl)cc3)c2ccn1CC(F)(F)F,C28568340_decoy,PA2GA,Decoy,0,-9.55047,-8.11,-1.8,-7.95361256939561
Brc1ccc(-c2nnc(-c3cc(-c4cccs4)nc4ccccc34)o2)cc1,C30823861_decoy,PA2GA,Decoy,0,-10.7078,-8.41,-2.26,-7.295357395954668
CC(C)[C@H]1CC[C@@H](C)/C(=C\c2ccc(/N=C/c3cnc(-c4ccccc4)nc3)cc2)C1=O,C32603795_decoy,PA2GA,Decoy,0,-10.3356,-6.94,-2.7,-6.511099368303222
Cc1ccc(N2C(=O)C3(CCCCC3)[C@H](N3CCCC3)/C2=N\c2c(C)cc(C)cc2C)cc1,C33435819_decoy,PA2GA,Decoy,0,-7.28059,-4.99,-2.36,-4.526995577730467
C=CCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2cc(OCC)ccc21,C33702856_decoy,PA2GA,Decoy,0,-10.8871,-7.34,-0.94,-7.761918365000391
Cc1cc(C)n(-c2nc(SCc3ccc(Cl)cc3)c3c4c(sc3n2)CCCC4)n1,C34762885_decoy,PA2GA,Decoy,0,-12.3949,-8.72,-1.98,-10.701059358092222
CC1(C)Cc2sc3c(N4CCCCC4)nc(SCc4ccccc4)nc3c2CO1,C34773138_decoy,PA2GA,Decoy,0,-12.0614,-6.23,-1.59,-7.02271313459063
CN(C)c1ccc(/C=C2\S/C(=N\c3ccccc3)N(Cc3ccccc3)C2=O)cc1,C35339773_decoy,PA2GA,Decoy,0,-8.58666,-6.44,-2.89,-5.883179054754014
Cc1ccc(-c2cc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)n(-c3ccc(F)cc3)n2)cc1C,C35708575_decoy,PA2GA,Decoy,0,-8.5225,-8.0,-1.21,-6.206839749000075
CCOCCn1/c(=N/C(=O)c2cc(Cl)sc2Cl)sc2c(C)cc(C)cc21,C36632199_decoy,PA2GA,Decoy,0,-10.7467,-5.46,-1.79,-6.807313538166376
CC1=C(OC(=O)c2ccccc2)C(C)(C)[C@H](c2ccc(Br)cc2)OC1=O,C00717941_decoy,PA2GA,Decoy,0,-9.68411,-8.04,-2.7,-8.308813915961641
CC1=C(OC(=O)c2ccc(Br)cc2)C(C)(C)[C@H](c2ccccc2)OC1=O,C01183016_decoy,PA2GA,Decoy,0,-9.88418,-6.67,-0.78,-6.150169330524493
O=C(C1CCCCC1)N(/N=C/c1ccc(F)cc1)c1nc2ccc(Cl)cc2s1,C39713558_decoy,PA2GA,Decoy,0,-10.2667,-5.87,-2.28,-6.336094980856148
O=C1/C(=C/c2cccc(Cl)c2)S/C(=N\c2cccnc2Cl)N1c1ccccc1,C39864046_decoy,PA2GA,Decoy,0,-9.48223,-7.84,-0.78,-8.312763240622838
O=C1/C(=C/c2ccc(F)cc2)S/C(=N/c2cccnc2Cl)N1C1CCCCC1,C39864132_decoy,PA2GA,Decoy,0,-9.71544,-6.03,-1.25,-5.509370462205363
CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(F)cc2)cc1,C39872059_decoy,PA2GA,Decoy,0,-9.93525,-6.17,-1.7,-5.64379523836464
Cc1cccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)c1,C39880193_decoy,PA2GA,Decoy,0,-8.98398,-7.16,-1.1,-6.458232851309058
CCc1ccc([C@@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1,C40043867_decoy,PA2GA,Decoy,0,-7.70699,-8.23,-1.62,-5.865930728248705
Cc1ccnc2c(N3C(=O)[C@@H]4[C@@H](C3=O)[C@@H](c3ccccc3)C=C[C@@H]4c3ccccc3)cccc12,C09600909_decoy,PA2GA,Decoy,0,-9.4407,-9.31,-1.46,-11.219220720583502
Cc1ccc(C2=N/C(=C\c3ccc(OC(C)C)cc3)C(=O)N2c2ccccc2C)cc1,C59232627_decoy,PA2GA,Decoy,0,-8.27383,-1.38,-0.74,-3.9926078817028894
CC(=O)c1ccc(N2C(=O)/C(=C/c3ccccc3)N=C2c2ccc(C(C)(C)C)cc2)cc1,C59232677_decoy,PA2GA,Decoy,0,-8.66568,-8.08,-2.07,-7.512981574167033
Cc1ccc(-c2nn(-c3ccc(C)cc3)c3nc(-c4ccccn4)cc(C(F)(F)F)c23)cc1,C59316850_decoy,PA2GA,Decoy,0,-10.3841,-9.05,-2.41,-8.412690453809816
CCOc1cc2c3c(c1)[C@H](C)CC(C)(C)N3C(=O)/C2=N\c1ccc(Cl)c(Cl)c1,C04740378_decoy,PA2GA,Decoy,0,-9.71265,-5.42,-2.52,-5.363763449483654
Cc1c2c(cc3c1O/C(=C\c1ccc(C(C)C)cc1)C3=O)CN(Cc1ccc(F)cc1)CO2,C41587205_decoy,PA2GA,Decoy,0,-11.3107,-8.1,-1.2,-6.796487453326785
CC(C)(C)c1ccc(/C=C2\Oc3c(ccc4c3CN(C3CCCCC3)CO4)C2=O)cc1,C41659212_decoy,PA2GA,Decoy,0,-10.0772,-6.46,-2.27,-5.365762359667474
CCc1ccc([C@@H]2C3=C(c4ccc(C)cc4)N=N[C@H]3C(=O)N2c2ccc(Cl)cc2)cc1,C09679012_decoy,PA2GA,Decoy,0,-8.61562,-7.65,-2.46,-6.815789865649087
CC1=C(C)/C(=C/[C@H]2N=C(CC3=N/C(=C\[C@@H]4N=CC(C)=C4C)C(C)=C3C)C(C)=C2C)N=C1,C64428174_decoy,PA2GA,Decoy,0,-9.22496,-9.4,-1.65,-7.773313108177312
CNC(=S)N(Cc1cc2c(C)ccc(C)c2[nH]c1=O)C1CCCC1,C00418397_decoy,PA2GA,Decoy,0,-9.78913,-7.78,-1.9,-9.729705326401294
CNC(=S)N(Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCC1,C00418307_decoy,PA2GA,Decoy,0,-8.03889,-7.65,-2.19,-7.533122764202552
O=C(NCc1ccc(NC(=O)c2cccs2)cc1)c1cccs1,C04512255_decoy,PA2GA,Decoy,0,-8.50692,-5.58,-2.26,-4.687085998105677
C=CCNC(=O)[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(Cl)cc1,C02894553_decoy,PA2GA,Decoy,0,-7.53737,-5.78,-1.72,-5.188893069608425
O=S(=O)(NCCc1c[nH]c2ccccc12)c1ccc(F)cc1,C01013303_decoy,PA2GA,Decoy,0,-8.05908,-8.37,-1.65,-13.353834694538048
Cc1ccc(C)c(NC(=S)Nc2ccc(N3CCOCC3)cc2)c1,C06044283_decoy,PA2GA,Decoy,0,-9.56311,-8.43,-1.3,-12.615818072498296
S=C(NC[C@H]1CCCO1)N1CC=C(c2c[nH]c3ccccc23)CC1,C11084787_decoy,PA2GA,Decoy,0,-9.40312,-5.96,-0.97,-5.713477621309892
O=C(CC[C@H]1Cc2ccccc2NC1=O)NCc1ccc(Cl)cc1,C11257199_decoy,PA2GA,Decoy,0,-9.23349,-5.39,-0.31,-4.995767587140561
CCNC(=S)N1[C@@H]2CCC[C@H]1CC(NC(=O)c1ccc(C)cc1)C2,C12499754_decoy,PA2GA,Decoy,0,-8.43697,-7.39,-1.37,-7.704560262601372
S=C(N/N=C/c1ccccc1Br)Nc1cccnc1,C09439231_decoy,PA2GA,Decoy,0,-9.12373,-4.81,-0.8,-5.117524073379268
CNC(=S)NC(=O)c1cc(Br)ccc1OC(C)C,C14668552_decoy,PA2GA,Decoy,0,-9.04247,-6.85,-1.82,-8.829851045605919
Cc1ccc(NC(=O)C(=O)NCC2(c3cccs3)CC2)cc1C,C22682890_decoy,PA2GA,Decoy,0,-9.14418,-7.85,-1.5,-7.575668699937802
O=C(CNC(=O)c1ccc(F)cc1)N[C@@H]1CCC[C@@H](C(F)(F)F)C1,C25145099_decoy,PA2GA,Decoy,0,-9.92858,-7.43,-3.89,-7.81703428155353
CC(=O)Nc1ccc(S[C@H](C)C(=O)NC2CCCCC2)cc1,C07028094_decoy,PA2GA,Decoy,0,-10.3524,-8.31,-1.53,-9.9989650590319
C[C@H](Nc1ccccc1NS(C)(=O)=O)c1ccc(Cl)s1,C37135157_decoy,PA2GA,Decoy,0,-8.85451,-6.56,-0.49,-7.098508197036121
O=C(NNC(=O)C(c1ccccc1)c1ccccc1)c1cccs1,C00320263_decoy,PA2GA,Decoy,0,-9.17133,-6.63,-1.9,-7.063982777409497
CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1c(C)cccc1N,C40346653_decoy,PA2GA,Decoy,0,-7.84171,-6.86,-3.28,-6.813662425838064
Cc1cc(S(=O)(=O)NC[C@](C)(O)c2ccc(F)cc2)ccc1F,C40628770_decoy,PA2GA,Decoy,0,-10.627,-8.66,-2.37,-9.865282603176947
Cc1ccccc1S(=O)(=O)NC[C@@](C)(O)c1ccc(F)cc1,C40629020_decoy,PA2GA,Decoy,0,-7.36483,-8.2,-1.17,-9.954924987786915
C[C@@H]([NH2+][C@](C)(C(=O)[O-])c1ccc(Br)cc1)c1ccccn1,C41804018_decoy,PA2GA,Decoy,0,-8.44955,-6.56,-1.85,-6.842392547573299
C[C@]([NH2+]C[C@H]1CCOC1)(C(=O)[O-])c1cc(F)c(Cl)cc1Cl,C41833851_decoy,PA2GA,Decoy,0,-8.60198,-6.69,-1.35,-8.125957620021326
CCN(Cc1cccs1)S(=O)(=O)c1cc(N)c(C)c(Cl)c1,C42272568_decoy,PA2GA,Decoy,0,-10.3637,-6.86,-1.32,-10.01342417304105
C[C@@H]1C[C@H]1CNC(=O)CNC(=O)c1cccc(Br)c1,C43114576_decoy,PA2GA,Decoy,0,-7.62748,-7.24,-1.28,-8.079084391153511
CCN(Cc1ccc(Cl)s1)S(=O)(=O)c1c(N)cccc1F,C45147975_decoy,PA2GA,Decoy,0,-8.89339,-7.64,-2.54,-11.500614107338407
C[C@@H](NC(=O)CNC(=O)c1ccccc1F)c1ccc(Cl)s1,C46621128_decoy,PA2GA,Decoy,0,-10.4948,-8.18,-1.74,-10.230056971604146
CC(C)[C@@H](C)NC(=O)CNC(=O)c1ccc(Br)s1,C48184852_decoy,PA2GA,Decoy,0,-8.73548,-5.37,-0.15,-6.142950545434268
CC[C@@H](C)[C@@H](C)NS(=O)(=O)c1ccc(C#CCO)cc1Cl,C49106039_decoy,PA2GA,Decoy,0,-8.74082,-6.87,-2.3,-7.285419795563987
Cc1ccc(Cl)cc1[N-]S(=O)(=O)CC[C@H]1CCCC[NH2+]1,C49631638_decoy,PA2GA,Decoy,0,-9.04166,-7.56,-0.96,-8.030119391460175
Cc1ccc([N-]S(=O)(=O)CC[C@@H]2CCCC[NH2+]2)c(Cl)c1,C49642491_decoy,PA2GA,Decoy,0,-9.41108,-8.32,-0.77,-8.763225595171066
OCCOc1ncc(/C=C\c2ccc(O)cc2)cc1Br,C49803787_decoy,PA2GA,Decoy,0,-10.5409,-7.57,-1.58,-8.590167980669623
CNc1ncc(C(=O)N[C@@H](c2cccs2)C(C)C)cc1Cl,C50778333_decoy,PA2GA,Decoy,0,-11.4561,-6.65,,99.0
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2cc(C)sc2C)cc1,C54195797_decoy,PA2GA,Decoy,0,-8.85426,-8.1,-1.75,-8.095359156570098
CC[C@H](C)NC(=O)c1ccc(NC(=O)c2ccc(C)s2)cc1,C54196201_decoy,PA2GA,Decoy,0,-8.83361,-6.8,-1.04,-7.424056023074967
O=C(NCC(F)(F)F)NCC1(c2ccc(F)cc2)CCOCC1,C56803629_decoy,PA2GA,Decoy,0,-9.22789,-7.78,-0.54,-9.236371005615482
CC(C)NC(=O)C1(c2ccc(NC(=O)c3cccs3)cc2)CC1,C46141217_decoy,PA2GA,Decoy,0,-9.34813,-7.42,-1.73,-7.772326817993714
CC1(C)[C@H]2CC[C@]1(C)[C@H](NC(=O)CCNC(=O)C1CCCC1)C2,C41809518_decoy,PA2GA,Decoy,0,-8.29928,-8.54,-0.37,-8.658204791725728
CC(C)C[C@H](C)N(C)S(=O)(=O)c1ccc(Br)cc1N,C40317790_decoy,PA2GA,Decoy,0,-9.32372,-6.74,-2.7,-8.593187218485909
CC(=O)Nc1ccc(S[C@@H](C)C(=O)Nc2cc(F)ccc2F)cc1,C08531258_decoy,PA2GA,Decoy,0,-8.53607,-7.76,-1.31,-6.241187051661898
N#Cc1ccc(NCC(=O)Nc2cccc(C(F)(F)F)c2)cc1,C15291172_decoy,PA2GA,Decoy,0,-8.8309,-8.68,-3.42,-7.40648146774884
Cc1cc(C)c2[nH]c(=O)c(C(=O)NCCCC(C)(C)C)cc2c1,C62121193_decoy,PA2GA,Decoy,0,-7.93653,-8.57,,99.0
O=S(=O)(NCCc1ccccc1O)c1ccc(Cl)s1,C62194416_decoy,PA2GA,Decoy,0,-9.88371,-6.88,-1.41,-6.926585253539091
C[C@H](c1ccc(S(N)(=O)=O)cc1)N(C)Cc1ccc(Cl)s1,C48345122_decoy,PA2GA,Decoy,0,-10.2847,-7.54,-0.43,-9.102758714863263
N#Cc1ccc(NCC(=O)N[C@@H]2CCC[C@H](C(F)(F)F)C2)cc1,C21355396_decoy,PA2GA,Decoy,0,-9.88803,-8.75,-1.14,-8.74042736254366
O=C(NC[C@H]1CCN(c2ccc(F)cc2)C1)NCC(F)(F)F,C66344958_decoy,PA2GA,Decoy,0,-10.6836,-7.92,-0.06,-11.487480364515088
C[C@@H](CC(=O)N1CCC[C@H](C(N)=O)C1)c1ccc(C(F)(F)F)cc1,C66394121_decoy,PA2GA,Decoy,0,-9.29051,-8.75,-1.91,-10.185153733855069
Cc1ccc(C[C@H](C)NC(=O)N[C@@H](C)c2nc(C)cs2)c(C)c1,C66599041_decoy,PA2GA,Decoy,0,-11.1555,-8.49,-0.79,-16.078240276061944
C[C@@H]1C[C@@H](CC(=O)N2CCC[C@H](CCC(N)=O)C2)CC(C)(C)C1,C66660091_decoy,PA2GA,Decoy,0,-8.36658,-7.63,-1.57,-7.989909366586102
O=C(NC1CC1)c1cccc(NC(=O)[C@H]2C[C@H]2c2cccc(F)c2)c1,C67031556_decoy,PA2GA,Decoy,0,-9.62608,-9.63,-0.57,-18.606491637908896
CS[C@H](C)c1cccc(NC(=O)C2(NC(C)=O)CCCCC2)c1,C67238108_decoy,PA2GA,Decoy,0,-8.68016,-8.02,-1.0,-8.084092614000891
CC(C)(C)c1ncc(C(=O)NC[C@@H](O)c2ccc(Cl)cc2)s1,C67479897_decoy,PA2GA,Decoy,0,-11.0345,-8.36,-1.54,-8.648915321626422
CC(=O)Nc1ccc(NC(=S)NC(=O)c2ccc(Cl)cc2)cc1,C00358129_decoy,PA2GA,Decoy,0,-10.0638,-6.99,-3.96,-6.77458214988323
CCOC(=O)[C@H]1[C@@H](c2cccs2)NC(=S)N[C@]1(O)C(F)(F)F,C04269850_decoy,PA2GA,Decoy,0,-9.27475,-7.45,-0.9,-9.602563383592573
NC(=O)c1ccsc1NC(=O)c1ccc(OC(F)(F)F)cc1,C02628819_decoy,PA2GA,Decoy,0,-8.84857,-7.4,-1.21,-7.746009983490665
CC(C)C/N=C(\N)SCc1nc2sc3c(c2c(=O)[nH]1)CCC3,C07286290_decoy,PA2GA,Decoy,0,-11.1178,-7.94,-3.25,-8.123098886872366
Nc1sc(SCC(=O)NC[C@@H]2CCCO2)nc1-c1ccc(F)cc1,C13591519_decoy,PA2GA,Decoy,0,-11.493,-8.21,-2.25,-8.837459969357882
C#CCNC(=O)[C@H](Cc1c[nH]c2ccccc12)NC(=O)c1cccs1,C21903556_decoy,PA2GA,Decoy,0,-9.82502,-6.58,-1.22,-8.08984096561041
[NH3+]C/C([O-])=N/c1nnc(CC(c2ccccc2)c2ccccc2)s1,C31959200_decoy,PA2GA,Decoy,0,-8.76276,-7.85,-1.59,-9.487565047955052
O=C(NCCO)c1ccc(NC(=O)c2csc(Br)c2)cc1,C37844748_decoy,PA2GA,Decoy,0,-8.22115,-6.61,-1.82,-6.495299217446149
O=C(Cc1cccs1)NNC(=S)NC(=O)c1ccc(F)c(F)c1,C02437461_decoy,PA2GA,Decoy,0,-9.73548,-7.71,-3.08,-7.501968968759326
CC(C)[C@@H](Br)C(=O)N[C@@H](C)c1ccc(S(N)(=O)=O)cc1,C37003661_decoy,PA2GA,Decoy,0,-8.50167,-7.17,-1.79,-8.832478384207828
C[C@@H](Cc1ccco1)NS(=O)(=O)c1ccc(N)cc1Br,C40348477_decoy,PA2GA,Decoy,0,-9.94027,-7.54,-2.47,-8.632354761320347
C[C@H]1CCCCN1S(=O)(=O)N[C@H](C(N)=S)C1CCCCC1,C40365055_decoy,PA2GA,Decoy,0,-10.6549,-7.25,-0.98,-13.600201837767322
Cc1ccc(NC(=O)C(=O)NC[C@H](O)c2ccc(F)c(F)c2)cc1F,C41740262_decoy,PA2GA,Decoy,0,-10.4819,-9.28,-1.91,-9.61942794965269
Cc1ccc(NC(=O)C(=O)NC[C@@H](O)c2ccc(F)c(F)c2)c(F)c1,C41740289_decoy,PA2GA,Decoy,0,-11.0189,-8.55,-0.9,-8.038370631190896
Cc1ccc(NCC(=O)N2CCC(C(N)=O)CC2)cc1C(F)(F)F,C42567968_decoy,PA2GA,Decoy,0,-8.6036,-8.09,-1.02,-9.37879291960617
CC(C)C(=O)NCCNC(=O)NCc1cc(Br)cs1,C43312589_decoy,PA2GA,Decoy,0,-9.97927,-6.27,-3.65,-7.863973959735412
Cc1cc(Br)ccc1C(=O)N(CC/C(N)=N/O)CC(C)C,C43419223_decoy,PA2GA,Decoy,0,-7.73246,-6.99,-1.32,-8.9186542078732
CC(C)(CO)NC(=O)Cc1ccc(NC(=O)c2ccsc2)cc1,C44034141_decoy,PA2GA,Decoy,0,-8.84833,-8.03,-1.17,-7.747878416882741
NS(=O)(=O)c1ccc(CNC(=O)[C@@H]2CCCC[C@H]2C(F)(F)F)cc1,C44853944_decoy,PA2GA,Decoy,0,-9.31679,-7.1,-3.17,-7.081565518577253
CCC[C@H](C(=O)N(C)Cc1csc(Br)c1)/C(N)=N/O,C44877583_decoy,PA2GA,Decoy,0,-9.52477,-7.46,-0.1,-8.712672291265656
CC1CCC(N(C)C(=O)CNc2ccc(Cl)c(C(N)=O)c2)CC1,C46488430_decoy,PA2GA,Decoy,0,-9.00443,-6.04,-1.94,-6.05458995324192
CC(C)NC(=O)CNC(=O)NCc1csc(Br)c1,C48159431_decoy,PA2GA,Decoy,0,-8.46252,-7.02,-0.74,-8.135117228556302
CN(Cc1ccc(Cl)s1)S(=O)(=O)c1ccccc1NN,C48987127_decoy,PA2GA,Decoy,0,-9.10295,-8.04,-1.78,-7.73294961376048
CNC(=O)CNC(=O)NCCc1cc(Br)ccc1F,C49177523_decoy,PA2GA,Decoy,0,-9.04926,-7.35,-1.96,-12.831819169604673
Cc1ccc2cc(CCNC(=S)NC[C@H]3CCCO3)c(=O)[nH]c2c1C,C04225404_decoy,PA2GA,Decoy,0,-9.68818,-8.48,-1.33,-11.056562099903612
CCCNC(=O)CCNC(=O)NCc1csc(Br)c1,C49471545_decoy,PA2GA,Decoy,0,-10.0109,-5.36,-2.42,-7.890071395103595
CNC(=O)c1cc(NC(=O)N[C@@H](C)Cc2ccsc2)ccc1F,C50084367_decoy,PA2GA,Decoy,0,-9.52492,-7.91,-1.69,-11.924699329200596
C[C@@H](Cc1ccsc1)NC(=O)N(C)Cc1cccc(C(N)=O)c1,C50157201_decoy,PA2GA,Decoy,0,-9.85097,-7.07,-0.99,-9.00606883984218
CCCNc1ncc(Br)cc1C(=O)NC1CCC(O)CC1,C50727079_decoy,PA2GA,Decoy,0,-9.96578,-6.77,-1.09,-9.792670259992182
O=C(NCCCO)C(=O)Nc1ccc(Sc2ccc(Cl)cc2)cc1,C52621929_decoy,PA2GA,Decoy,0,-10.8145,-8.48,-1.31,-18.999271109201327
CC(NCCc1ccc(C(F)(F)F)cc1)=C1C(=O)NC(=S)NC1=O,C54500730_decoy,PA2GA,Decoy,0,-8.92742,-6.89,-1.6,-6.7332482151710416
N/C(=N/OCC(=O)NC12CC3CC(CC(C3)C1)C2)c1cccs1,C50512668_decoy,PA2GA,Decoy,0,-11.3066,-7.93,-2.68,-9.835120866564766
COCc1ccc(CNC(=O)NC[C@H](O)c2ccc(F)c(F)c2)cc1,C49243233_decoy,PA2GA,Decoy,0,-10.2423,-7.49,-0.66,-9.921569846542967
CC(C)NC(=O)CCNC(=O)N[C@@H](C)c1cccc(Br)c1,C59297594_decoy,PA2GA,Decoy,0,-7.96071,-7.7,-1.18,-7.129129962319001
O=C(CCNC(=O)N[C@@H]1CCCc2ccccc21)NC1CCCCC1,C57176328_decoy,PA2GA,Decoy,0,-9.24357,-8.92,-0.9,-13.430594631672944
CC(C)NC(=O)C[NH2+][C@@](C)(C(=O)[O-])c1ccc(F)c(Br)c1,C61690083_decoy,PA2GA,Decoy,0,-9.30885,-6.8,-1.0,-9.697848099177426
O=C(NC[C@H](O)c1ccccc1F)C(=O)Nc1ccc(Cl)cc1F,C62132000_decoy,PA2GA,Decoy,0,-9.35873,-7.15,-1.83,-6.637288300295555
O=C(NC[C@H](O)c1ccc(Cl)cc1)C(=O)Nc1cc(F)ccc1F,C62206549_decoy,PA2GA,Decoy,0,-9.66899,-7.18,-0.54,-8.178081988253291
CC[C@H](NC(=O)c1cc(S(N)(=O)=O)c(C)cc1C)c1ccc(C)cc1,C63336974_decoy,PA2GA,Decoy,0,-9.68544,-7.43,-1.8,-6.628487949067551
Cc1cc([C@H](C)NC(=O)NC[C@H](O)c2ccc(Cl)cc2)c(C)o1,C65498421_decoy,PA2GA,Decoy,0,-9.29989,-7.51,-1.03,-8.04912801811381
Nc1nnc(SC[C@@H](O)CO[C@H]2CCCc3ccccc32)s1,C66237241_decoy,PA2GA,Decoy,0,-11.2011,-7.5,-0.6,-9.47190300740904
O=C(NCc1ccc(C(=O)NC2CC2)cc1)N[C@@H]1CCc2ccccc21,C66359057_decoy,PA2GA,Decoy,0,-9.14826,-8.85,-1.76,-8.434015923885434
CC(C)c1ccc(CCC(=O)N[C@H]2CCCN(CC(N)=O)C2)cc1,C66448246_decoy,PA2GA,Decoy,0,-9.77448,-8.61,-1.32,-14.040511538902804
Cc1cc(NCC(=O)NCC(F)(F)F)ccc1C(=O)NC(C)C,C66470869_decoy,PA2GA,Decoy,0,-9.29355,-7.07,-1.33,-10.78208561014476
CC(C)[C@@H](NS(=O)(=O)c1ccc(Br)cc1)C(N)=O,C66992694_decoy,PA2GA,Decoy,0,-10.5832,-7.41,-2.04,-11.200153743459706
O=C(CCCC[C@@H]1SC[C@H]2NC(=O)N[C@H]12)Nc1ccc(F)cc1F,C67126004_decoy,PA2GA,Decoy,0,-10.0392,-8.16,-1.46,-9.125568847371262
O=C(NC[C@@H](O)COc1ccc(F)cc1)c1cc2cc(F)ccc2[nH]1,C67147375_decoy,PA2GA,Decoy,0,-10.1173,-8.86,-0.98,-10.172288326176975
Cc1ccsc1CNC(=O)CCCC[C@H]1SC[C@H]2NC(=O)N[C@@H]21,C67161331_decoy,PA2GA,Decoy,0,-10.4741,-6.39,-2.45,-9.4249506741988
C#Cc1cccc(NC(=S)NNC(=O)c2csc(C(C)C)n2)c1,C67196119_decoy,PA2GA,Decoy,0,-10.3682,-6.77,-2.48,-8.176357784297394
O=C(CCNC(=O)c1c[nH]c2ccccc12)N[C@@H]1C[C@H]1c1cccc(F)c1,C67332616_decoy,PA2GA,Decoy,0,-10.0455,-9.02,-1.87,-8.358936836749583