SMILES,Molecule Name,Target Name,Type,label,LF_score,GN_score,DD_score, RMSD_Energy
COc1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(C(=O)O)CC2)c(C(F)(F)F)c1C(F)(F)F,CHEMBL336789_active,ITAL,Active,1,-7.27918,-5.73,-2.51,-5.491992363014486
CN1CCC(Nc2cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c2)CC1,CHEMBL520731_active,ITAL,Active,1,-7.18185,-7.19,-2.14,-6.318556497683729
O=C(O)C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(C(F)(F)F)c2C(F)(F)F)CC1,CHEMBL337562_active,ITAL,Active,1,-6.54002,-8.85,-2.78,-6.276259107012426
CN1C2CCC1CC(Nc1cccc(Sc3ccc(/C=C/C(=O)N4CCOCC4)c(C(F)(F)F)c3C(F)(F)F)c1)C2,CHEMBL444773_active,ITAL,Active,1,-6.65417,-5.83,-1.88,-5.546913991068121
O=C(NC[C@H](NC(=O)c1c(Cl)cc(CCC(O)c2cccc(O)c2)cc1Cl)C(=O)O)c1cccs1,CHEMBL1221918_active,ITAL,Active,1,-9.22639,-6.37,-3.46,-8.596107151415282
Nc1cccc(Sc2ccc(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)c1,CHEMBL478464_active,ITAL,Active,1,-6.99363,-5.39,-2.2,-5.438382483489978
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3cccc(C(=O)O)c3s1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1094128_active,ITAL,Active,1,-9.77053,-10.97,,99.0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(-c3nnn[nH]3)cn1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1098727_active,ITAL,Active,1,-10.91,-11.71,-1.84,-22.064269147336777
O=C(/C=C/c1ccc(Sc2ccccc2OC2CCNCC2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL521708_active,ITAL,Active,1,-8.61423,-5.48,-1.87,-6.047403191259655
O=C(/C=C/c1ccc(Sc2cccc(OC3CCSCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL496945_active,ITAL,Active,1,-6.5058,-5.14,-1.59,-4.790071187887071
O=C(/C=C/c1ccc(Sc2ccccc2OC2CCOCC2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL497978_active,ITAL,Active,1,-8.24441,-7.8,-2.67,-8.502672853997534
O=C(/C=C/c1ccc(Sc2ccccc2OCc2cccnc2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL487705_active,ITAL,Active,1,-8.3475,-8.3,-1.86,-9.117102222169564
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(C(=O)O)cn1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1098726_active,ITAL,Active,1,-11.3076,-11.12,-3.13,-20.20593472529982
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(C(=O)c1ccc3ncccc3c1)C[C@H]2c1ccc(C#N)cc1,CHEMBL262911_active,ITAL,Active,1,-10.3189,-5.21,,99.0
O=C(/C=C/c1ccc(Sc2ccccc2OCc2ccncc2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL524347_active,ITAL,Active,1,-8.6979,-8.22,-2.14,-9.93234404815314
O=C(/C=C/c1ccc(Sc2cccc(OC3CCNCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL495906_active,ITAL,Active,1,-6.21009,-7.49,-2.19,-6.856993674973822
Cn1ccc2cc(Sc3ccc(/C=C/C(=O)N4CCC(C(=O)O)CC4)c(Cl)c3Cl)ccc21,CHEMBL138185_active,ITAL,Active,1,-9.49056,-7.27,-3.32,-7.959625925202665
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3cc(C(=O)O)ccc3o1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1094127_active,ITAL,Active,1,-10.4333,-11.01,-1.66,-18.142871027550463
O=C(O)C1CCCN(c2ccccc2Sc2ccc(C3CC3C(=O)NCCCN3CCCC3=O)c(Cl)c2Cl)C1,CHEMBL369143_active,ITAL,Active,1,-10.0409,-6.46,-3.63,-7.05888293106116
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1cc3ccccc3o1)C2)C(=O)O)c1cccs1,CHEMBL1222290_active,ITAL,Active,1,-9.41209,-6.79,-2.16,-7.030164776446513
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ncc(C(=O)O)s1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1096088_active,ITAL,Active,1,-11.0711,-10.81,-3.65,-18.00881825045838
O=C(/C=C/c1ccc(Sc2cccc(NC3CCOCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL489362_active,ITAL,Active,1,-6.42798,-7.12,-3.92,-6.305804462177695
CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl,CHEMBL367648_active,ITAL,Active,1,-9.12166,-6.53,,99.0
CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)N2CCCC(C(=O)O)C2)c(Cl)c1Cl,CHEMBL262793_active,ITAL,Active,1,-9.17042,-8.23,-2.5,-8.414080697917536
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1ccc3ncccc3c1)C[C@H]2c1ccc(C#N)cc1,CHEMBL215170_active,ITAL,Active,1,-10.4635,-11.16,-2.38,-11.260190450404789
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c(Cl)c2Cl)CC1,CHEMBL341999_active,ITAL,Active,1,-8.14757,-7.77,-2.04,-7.323786112632906
CC(C)c1ccccc1Sc1ccc(C2CC2C(=O)NCCCC(=O)O)c(Cl)c1Cl,CHEMBL367244_active,ITAL,Active,1,-8.40528,-6.24,-2.96,-7.614929764124183
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CNCC2c1ccc(C#N)cc1,CHEMBL385056_active,ITAL,Active,1,-8.05008,-7.36,-1.69,-7.364901890069802
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1cc(C(=O)O)ncn1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1098760_active,ITAL,Active,1,-9.52683,-10.81,-2.36,-10.270340070287835
O=C(/C=C/c1ccc(Sc2ccccc2OC2CCCCC2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL496314_active,ITAL,Active,1,-8.57993,-8.73,-3.53,-10.208685013354364
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3ccoc3c1)C2)C(=O)O)c1cccs1,CHEMBL1222288_active,ITAL,Active,1,-8.61224,-6.51,-2.99,-6.406701592439385
O=C(/C=C/c1ccc(Sc2ccccc2OCc2c[nH]cn2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL495518_active,ITAL,Active,1,-6.81589,-5.09,-2.56,-4.986740553140197
O=C(/C=C/c1ccc(Sc2ccccc2OCc2ccccn2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL521385_active,ITAL,Active,1,-6.96054,-8.63,-3.08,-8.420345423255451
C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)CCCO)n21,CHEMBL187820_active,ITAL,Active,1,-11.7583,-7.71,-1.11,-11.696755142747511
Cc1ccc(C(=O)N2CCc3c(cc(Cl)c(C(=O)N[C@@H](CNC(=O)c4cccs4)C(=O)O)c3Cl)C2)cc1,CHEMBL1221972_active,ITAL,Active,1,-8.88482,-6.58,-3.0,-7.0874710238272005
O=C(/C=C/c1ccc(Sc2ccccc2OCc2cccs2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL496106_active,ITAL,Active,1,-7.91112,-8.16,-2.98,-9.725129716738657
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ncc(C(=O)O)cn1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1097733_active,ITAL,Active,1,-11.0762,-10.82,-2.57,-20.53328030400667
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(S(=O)(=O)c1ccc(C(=O)O)cc1)C[C@H]2c1ccc(C#N)cc1,CHEMBL384643_active,ITAL,Active,1,-10.5843,-5.67,-2.3,-6.267234902443129
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(C#N)nc1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1094753_active,ITAL,Active,1,-10.2472,-10.84,-1.84,-19.3711567602463
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc3c(c1)OCC3)C2)C(=O)O)c1cccs1,CHEMBL1222289_active,ITAL,Active,1,-9.26837,-7.0,-3.26,-8.055327333115722
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(C(=O)O)nn1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1096053_active,ITAL,Active,1,-10.9703,-10.87,-2.22,-21.208317258865467
O=C(NCCCN1CCCC1=O)C1CC1c1ccc(Sc2ccccc2N2CCOCC2)c(C(F)(F)F)c1,CHEMBL368143_active,ITAL,Active,1,-9.60122,-6.65,-2.98,-7.03572337723949
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(Cc1ccccc1)C[C@H]2c1ccc(C#N)cc1,CHEMBL538156_active,ITAL,Active,1,-10.7196,-11.04,-1.48,-21.08587515923819
O=C(/C=C/c1ccc(Sc2cccc(NC3CCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL477593_active,ITAL,Active,1,-7.80501,-7.58,-3.57,-7.631665058412027
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1cnc(C(=O)O)cn1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1098071_active,ITAL,Active,1,-11.0359,-10.8,-2.05,-12.589734622243329
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCOC(c3nn[nH]n3)C2)cc1[N+](=O)[O-],CHEMBL330443_active,ITAL,Active,1,-4.88245,-5.95,,99.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4[nH]ccc4c3)c(Cl)c2)CC1,CHEMBL19913_active,ITAL,Active,1,-7.9964,-5.36,-2.44,-5.618194127098922
CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCCC(c4nn[nH]n4)C3)ncn2)cc1C(F)(F)F,CHEMBL180412_active,ITAL,Active,1,-8.788,-5.54,-3.13,-5.912657346598942
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(Br)cc1,CHEMBL367808_active,ITAL,Active,1,-10.1506,-10.12,-1.2,-13.606445092582268
O=C(/C=C/c1ccc(Sc2ccccc2OCc2ccccc2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL500111_active,ITAL,Active,1,-8.39769,-9.05,-2.55,-10.840417264108163
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(C/C=C/c2ccncc2)[C@@H](CC(C)C)C1=O,CHEMBL181297_active,ITAL,Active,1,-8.84745,-10.19,-2.73,-8.882631102896188
CNC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccccc3C(C)C)c([N+](=O)[O-])c2)CC1,CHEMBL317409_active,ITAL,Active,1,-4.62664,-8.25,-2.54,-6.873308894237383
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)/C=C/c1ccco1)C2)C(=O)O)c1cccs1,CHEMBL1221919_active,ITAL,Active,1,-9.67325,-6.19,-4.37,-6.411565506240419
CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC[C@H]3C(=O)O)c2)cc1C(F)(F)F,CHEMBL183598_active,ITAL,Active,1,-8.47081,-8.33,-3.22,-9.932529082545262
O=C(/C=C/c1ccc(Sc2cccc(NC3CCCCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL478216_active,ITAL,Active,1,-6.95552,-5.25,-4.17,-5.151696789783038
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O)c1ccccc1,CHEMBL1222132_active,ITAL,Active,1,-9.20725,-6.67,,99.0
CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCCC(C(=O)O)C3)c2)cc1C(F)(F)F,CHEMBL181197_active,ITAL,Active,1,-9.74894,-8.57,,99.0
O=C(O)C1CCCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)C1,CHEMBL182377_active,ITAL,Active,1,-9.99312,-5.73,-2.99,-6.578149704265488
O=C(/C=C/c1ccc(Sc2ccc3c(c2)OCCO3)c(C(F)(F)F)c1)N1CCOCC1,CHEMBL136191_active,ITAL,Active,1,-7.86172,-5.57,-3.25,-5.669996561424096
O=C(NCCCN1CCCC1=O)C1CC1c1ccc(Sc2ccccc2N2CCCC2)c(C(F)(F)F)c1,CHEMBL368837_active,ITAL,Active,1,-8.57837,-8.0,-2.63,-10.222265588637084
O=C(/C=C/c1ccc(Sc2cccc(OC3CCOCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL497358_active,ITAL,Active,1,-7.14101,-8.62,-1.89,-7.558051399038302
CC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nncn21,CHEMBL188721_active,ITAL,Active,1,-9.20406,-8.59,-1.41,-7.774783522319716
CC(=O)N1CCN(C(=O)/C=C/C2=CCC(Sc3ccccc3C(C)C)C([N+](=O)[O-])=C2)CC1,CHEMBL116785_active,ITAL,Active,1,-8.07425,-9.02,-3.16,-10.502446396561174
O=C(/C=C/c1ccc(Sc2cccc(NC3CCCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL515964_active,ITAL,Active,1,-8.52508,-8.29,-2.3,-8.256098310325141
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)OC)N(Cc4ccc(O)c(OC)c4)C(=O)O3)[C@H]21,CHEMBL314245_active,ITAL,Active,1,-10.1426,-8.6,-2.81,-9.198172255048126
C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCCCC3)n21,CHEMBL363505_active,ITAL,Active,1,-9.9919,-8.58,-2.05,-9.336735245090653
C[C@@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ncc(S(=O)(=O)N3CCNCC3)n21,CHEMBL361674_active,ITAL,Active,1,-10.9548,-8.16,-1.07,-10.897837335296972
CC(C)c1ccccc1Sc1ccc(-c2ccnc(N3CCC(c4nn[nH]n4)CC3)c2)cc1C(F)(F)F,CHEMBL182447_active,ITAL,Active,1,-8.03762,-9.24,-3.02,-9.003753273979527
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O)c1ccco1,CHEMBL1222133_active,ITAL,Active,1,-8.88098,-7.71,-2.9,-7.636141192738588
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccncc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL501430_active,ITAL,Active,1,-8.38612,-7.87,-2.48,-9.45328602302592
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC3(CC2)OCCO3)cc1[N+](=O)[O-],CHEMBL328643_active,ITAL,Active,1,-6.77429,-8.24,-2.73,-7.569698724371368
O=C(/C=C/c1ccc(Sc2ccccc2OC2CCSCC2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL496738_active,ITAL,Active,1,-8.91386,-5.65,-2.57,-6.3084594777875935
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccnc(C(=O)O)c1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1094116_active,ITAL,Active,1,-10.4701,-10.97,-1.78,-20.12772221306925
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc(C(=O)O)co1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1095137_active,ITAL,Active,1,-10.7615,-10.27,-2.73,-19.56872158642572
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(=O)CC2)cc1[N+](=O)[O-],CHEMBL98997_active,ITAL,Active,1,-5.22437,-8.27,-1.93,-7.931153699380286
CC(=O)N1CCN(c2nc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)cs2)CC1,CHEMBL362178_active,ITAL,Active,1,-9.15348,-9.09,-1.86,-11.62885995531973
CC(=O)N1CCN(c2nc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)co2)CC1,CHEMBL361628_active,ITAL,Active,1,-7.50825,-8.8,-2.95,-8.366777248476911
CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ncn2)CC1,CHEMBL182333_active,ITAL,Active,1,-8.98071,-8.97,-2.02,-10.418660583271034
CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)ccn2)CC1,CHEMBL182738_active,ITAL,Active,1,-8.33301,-8.68,-1.76,-9.689261919525848
CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1,CHEMBL182384_active,ITAL,Active,1,-9.44289,-6.03,-2.14,-6.235382555664131
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1ccc(C#N)cc1)C[C@H]2c1ccc(C#N)cc1,CHEMBL1096040_active,ITAL,Active,1,-10.8535,-11.0,-2.73,-20.504776794819914
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCN(C(=O)c3ccncc3)CC2)cc1[N+](=O)[O-],CHEMBL100372_active,ITAL,Active,1,-6.44786,-8.13,-3.5,-7.3852566886820465
O=C(/C=C/c1ccc(Sc2cccc(OCc3c[nH]cn3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL496105_active,ITAL,Active,1,-7.66809,-7.69,-1.82,-8.677552511001348
O=C(/C=C/c1ccc(Sc2cccc(OCc3cccnc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL501166_active,ITAL,Active,1,-6.50515,-8.02,-2.11,-7.035460953122429
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O,CHEMBL446435_active,ITAL,Active,1,-8.02057,-10.75,-2.05,-11.3404281945868
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccccn3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL487496_active,ITAL,Active,1,-7.90666,-8.22,-3.63,-9.25239518248134
CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1cnc2ccccc2c1,CHEMBL359425_active,ITAL,Active,1,-9.45577,-8.76,-3.27,-9.9065482614632
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3cccc4ccn(C)c34)c(Cl)c2)CC1,CHEMBL19634_active,ITAL,Active,1,-7.88099,-8.22,-2.71,-9.024104733553498
CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCOCC3)ncn2)cc1C(F)(F)F,CHEMBL360082_active,ITAL,Active,1,-8.72133,-8.54,-2.13,-7.717283114421416
O=C1[C@@H]2C[C@H](OCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1,CHEMBL183023_active,ITAL,Active,1,-8.48687,-9.27,-2.1,-8.243136969969255
CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCCC(C(=O)O)C3)ncn2)cc1C(F)(F)F,CHEMBL183247_active,ITAL,Active,1,-9.46909,-8.96,-2.82,-10.466622563321742
O=C(/C=C/c1ccc(Sc2ccccc2CN2CCN(Cc3ccc4c(c3)OCO4)CC2)c(Cl)c1)N1CCOCC1,CHEMBL262940_active,ITAL,Active,1,-9.16961,-6.29,-2.44,-5.510976121280241
CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCC(c4nn[nH]n4)CC3)ncn2)cc1C(F)(F)F,CHEMBL183680_active,ITAL,Active,1,-7.35555,-6.08,-1.85,-5.638884819819689
NC(=O)C[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)O,CHEMBL418328_active,ITAL,Active,1,-7.14632,-6.61,-0.43,-9.557516958379342
CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccc2ncccc2c1,CHEMBL148363_active,ITAL,Active,1,-9.72726,-7.91,-4.04,-9.91713042267976
CC1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nnnn21,CHEMBL187383_active,ITAL,Active,1,-10.3428,-9.88,-0.73,-20.407034380800702
CC(=O)N[C@@H]1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)C1,CHEMBL183295_active,ITAL,Active,1,-8.77955,-8.71,-3.84,-7.8320503622573
CC(C)c1ccccc1SC1=CC=C(/C=C/C(=O)N2CCC(C(=O)O)CC2)C(F)C1F,CHEMBL336265_active,ITAL,Active,1,-8.62224,-7.4,-3.06,-9.843248328124035
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCO4)c(Cl)c2)CC1,CHEMBL19461_active,ITAL,Active,1,-7.5988,-8.33,-1.75,-7.74726225344235
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CC=CC2C(=O)O)cc1C(F)(F)F,CHEMBL99095_active,ITAL,Active,1,-8.46525,-6.0,-2.92,-6.809168753700146
O=C(N[C@@H](Cc1c[nH]cn1)C(=O)O)c1c(F)cccc1Cl,CHEMBL292064_active,ITAL,Active,1,-7.67107,-7.3,-1.74,-9.527433824609568
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(c2ccc3ncccc3c2)[C@@H](CC(C)C)C1=O,CHEMBL178701_active,ITAL,Active,1,-9.01399,-10.81,-3.0,-9.10501293828531
Clc1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1,CHEMBL131013_active,ITAL,Active,1,-9.2586,-8.19,-0.73,-13.404594691624958
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4cc[nH]c4c3)c(Cl)c2)CC1,CHEMBL281369_active,ITAL,Active,1,-8.49584,-6.15,-1.41,-5.893815580727303
O=C(/C=C/c1ccc(Sc2ccccc2CN2CCOCC2)c(Cl)c1)N1CCOCC1,CHEMBL130468_active,ITAL,Active,1,-9.37871,-7.76,-3.1,-8.843769470753996
CC(C)c1ccccc1Sc1ccc(-c2cc(N3CC[C@@H](O)C3)ncn2)cc1C(F)(F)F,CHEMBL368031_active,ITAL,Active,1,-9.4059,-8.76,-1.37,-11.930203112057212
COc1ccccc1Sc1ccc(-c2ccnc(N3CCCN(C(C)=O)CC3)c2)cc1C(F)(F)F,CHEMBL182952_active,ITAL,Active,1,-7.90347,-8.7,-3.07,-8.395846609989636
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@H](CC(=O)NC)N(Cc4ccc5c(c4)OCO5)C(=O)O3)[C@H]21,CHEMBL82236_active,ITAL,Active,1,-9.95861,-9.03,-3.24,-9.04226425693772
O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)NCCCN1CCCC1=O,CHEMBL422802_active,ITAL,Active,1,-7.42438,-8.37,-2.38,-8.757223713578826
N#Cc1ccc(-c2cccc(CN[C@H]3C[C@H]4C(=O)N(c5cc(Cl)cc(Cl)c5)C(=O)N4C3)c2)cc1,CHEMBL433558_active,ITAL,Active,1,-9.3498,-8.89,-2.53,-8.326486375758511
O=C(/C=C/c1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1)N1CCOCC1,CHEMBL424446_active,ITAL,Active,1,-8.29027,-7.18,-4.04,-8.167207772497585
O=C(/C=C/c1ccc(Sc2ccccc2/C=C/C(=O)N2CCOCC2)c(Cl)c1)N1CCOCC1,CHEMBL338870_active,ITAL,Active,1,-8.28454,-7.72,-1.99,-8.633343206833926
CC(=O)OC(C)(C)/C=C/C(=O)[C@](C)(O)[C@H]1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4[C@@H](C=C(O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,CHEMBL455056_active,ITAL,Active,1,-9.41384,-7.71,-3.09,-8.576703427161975
CN1CCN(c2ccccc2Sc2ccc(C3CC3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1,CHEMBL176415_active,ITAL,Active,1,-9.42098,-7.94,-2.82,-8.087354973813827
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccccc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL487291_active,ITAL,Active,1,-7.20379,-8.53,-1.27,-8.636184537428527
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1c(F)cccc1Cl,CHEMBL302644_active,ITAL,Active,1,-8.52247,-5.3,-1.22,-5.802610516952034
O=C1[C@@H]2C[C@H](SCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1,CHEMBL182218_active,ITAL,Active,1,-8.79554,-9.02,-1.61,-7.638966324571823
O=C(O)C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c3ccccc23)CC1,CHEMBL140361_active,ITAL,Active,1,-9.53969,-8.98,-3.07,-9.568639843327738
CC(=O)OC(C)(C)/C=C/C(=O)[C@@](C)(O)C1[C@H](O)C[C@@]2(C)[C@@H]3CC=C4C(C[C@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,CHEMBL479922_active,ITAL,Active,1,-9.53137,-6.03,-3.23,-6.202168114885471
CC(=O)N1CCCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)ccn2)CC1,CHEMBL360249_active,ITAL,Active,1,-6.39448,-5.3,-2.05,-4.378617995580952
O=CN1CCN(Cc2ccccc2Sc2ccc(/C=C/C(=O)N3CCOCC3)cc2Cl)CC1,CHEMBL128109_active,ITAL,Active,1,-8.03379,-5.53,-2.43,-5.900286603754432
O=C1[C@@H]2C[C@H](Oc3ccc(-c4ccc(Br)cc4)cc3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1,CHEMBL359926_active,ITAL,Active,1,-8.99535,-7.49,-1.18,-7.394437254675791
O=C(/C=C/c1ccc(Sc2cccc(OC3CCCCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,CHEMBL524292_active,ITAL,Active,1,-6.82019,-8.55,-2.02,-7.667611358779787
O=C(N[C@@H](CNC(=O)C1CCCCC1)C(=O)O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2,CHEMBL1222131_active,ITAL,Active,1,-9.48728,-7.39,,99.0
CCOc1c(Sc2ccc(/C=C/C(=O)N3CCN(C(C)=O)CC3)cc2Cl)cc(Cl)c2cccnc12,CHEMBL19712_active,ITAL,Active,1,-9.46788,-8.44,-3.14,-9.318015962284944
O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)NCCCCCCO,CHEMBL131466_active,ITAL,Active,1,-10.1843,-7.45,-3.19,-9.97904381350484
CC(=O)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)O,CHEMBL1222024_active,ITAL,Active,1,-8.8921,-5.96,-3.62,-7.620886713209023
CCN(C)c1cc(-c2ccc(Sc3ccccc3C(C)C)c(C(F)(F)F)c2)ncn1,CHEMBL183770_active,ITAL,Active,1,-8.42841,-8.26,-2.26,-10.66382608187626
CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccccc1,CHEMBL357881_active,ITAL,Active,1,-8.35694,-7.03,-2.99,-6.79712401786174
O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)N1CCN(c2ccccn2)CC1,CHEMBL129929_active,ITAL,Active,1,-10.3203,-8.33,-2.33,-10.449690364756606
CC(C)c1ccccc1Sc1ccc(-c2cc(NCCCn3ccnc3)ncn2)cc1C(F)(F)F,CHEMBL183139_active,ITAL,Active,1,-8.43833,-7.59,-2.98,-9.4852527491413
CC1(Cc2ccccc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ccccc21,CHEMBL434540_active,ITAL,Active,1,-9.07167,-9.21,-2.35,-10.40820027237624
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3cc4[nH]c(O)nc4cc3Cl)c(Cl)c2)CC1,CHEMBL281334_active,ITAL,Active,1,-9.42323,-7.64,-1.52,-9.01053039998688
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H](CC(C)C)C1=O,CHEMBL179286_active,ITAL,Active,1,-8.19343,-10.23,-3.91,-8.67443769459875
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2,CHEMBL1222227_active,ITAL,Active,1,-9.69889,-7.01,-2.33,-7.254273661475666
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(CCc2cnc3ccccc3c2)[C@@H](CC(C)C)C1=O,CHEMBL440377_active,ITAL,Active,1,-9.71423,-10.45,-2.99,-11.28837430649208
O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCCn1ccnc1,CHEMBL127552_active,ITAL,Active,1,-9.97821,-8.55,-2.15,-10.367427815487028
CC(C)C[C@H]1C(=O)N([C@@H](Cc2ccc3ccccc3c2)C(N)=O)CC[C@@H](C)N1C(=O)Cc1ccncc1,CHEMBL356393_active,ITAL,Active,1,-7.36876,-8.67,-1.61,-7.888390787427901
O=C(Nc1ccc(Oc2c(F)c(F)c(F)c(F)c2F)cc1)O[C@@H]1CCN2Cc3ccccc3N=C12,C02310893_decoy,ITAL,Decoy,0,-8.04878,-8.82,-1.69,-7.032558510393193
Cc1nn(-c2ccccc2)c2nc(-c3ccccc3)cc(C(=O)Nc3sc4c(c3C#N)CCC4)c12,C03331539_decoy,ITAL,Decoy,0,-8.83148,-6.78,-3.77,-6.541501001735345
CCOC(=O)C1C(CC)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1,C06149616_decoy,ITAL,Decoy,0,-9.25785,-6.17,-1.38,-8.937408235347855
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N(C(=O)c2ccccc2)[C@H]3c2cccnc2)cc1,C00986545_decoy,ITAL,Decoy,0,-8.38318,-4.97,-2.6,-5.927820934698057
Cc1cc(C)c(C)c(S(=O)(=O)Nc2ccc3c(c2)CN(S(=O)(=O)c2ccccc2)CC3)c1C,C08840262_decoy,ITAL,Decoy,0,-8.22321,-4.93,-3.58,-4.976235129915426
CCOc1ccc(NC(=O)CN2c3ccc(Br)cc3-c3ccccc3S2(=O)=O)cc1,C09250425_decoy,ITAL,Decoy,0,-9.20815,-8.54,-2.68,-10.256425989276355
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1cccn1-c1ccccc1F,C09265212_decoy,ITAL,Decoy,0,-8.41901,-10.48,-2.65,-7.575792729331091
O=C(Nc1nc2c(ccc3ccccc32)s1)c1ccc(S(=O)(=O)N2CCc3ccccc3C2)cc1,C09443804_decoy,ITAL,Decoy,0,-9.00362,-6.22,-3.18,-6.036253769085187
N#Cc1c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccccc2)sc2c1CCCCC2,C09634260_decoy,ITAL,Decoy,0,-8.24874,-8.71,-2.6,-7.981941362217675
C[C@H](Sc1nnc(Cc2ccccc2)n1-c1ccc(Cl)cc1)c1nc2ccccc2c(=O)[nH]1,C09571008_decoy,ITAL,Decoy,0,-9.70107,-10.67,-2.37,-12.05367792114154
CCOc1cc([C@H]2CC(=O)N3CN(c4ccc(C)cc4)CSC3=C2C#N)cc(Br)c1O,C09693504_decoy,ITAL,Decoy,0,-9.17255,-5.91,-2.42,-6.484332224540662
Cc1ccc(-c2csc3nnc(SCC(=O)Nc4sc5c(c4C#N)CC[C@H](C)C5)n23)cc1,C01803319_decoy,ITAL,Decoy,0,-8.89907,-8.95,-3.65,-7.838345485342984
CCOc1ccc(-n2nc3ccc(NC(=O)c4ccc(I)cc4)cc3n2)cc1,C00706200_decoy,ITAL,Decoy,0,-8.35353,-6.4,-2.01,-7.393446538560811
Cc1sc2nc([C@H](C)Sc3nnc(-c4ccccc4)n3-c3ccc(F)cc3)[nH]c(=O)c2c1C,C10212726_decoy,ITAL,Decoy,0,-8.69841,-10.46,-2.77,-8.975281486971012
Cc1cc(C)cc(-n2c(SCC(=O)Nc3nc4ccccc4s3)nc3c(c2=O)SCC3)c1,C10457030_decoy,ITAL,Decoy,0,-9.11467,-9.76,-2.48,-10.55305583475142
Cc1ccc(C)c(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)c1,C10682919_decoy,ITAL,Decoy,0,-9.73278,-8.7,-2.66,-13.635647274047956
O=C1c2ccccc2C(=O)c2c1ccc(C(=O)NCc1ccccc1)c2S(=O)(=O)c1ccccc1,C12376475_decoy,ITAL,Decoy,0,-8.71777,-8.01,-4.31,-7.975571787530407
Cc1ccc(NC(=O)CS(=O)(=O)c2nc(-c3ccc(C)cc3)cn2-c2cccc(Cl)c2)cc1,C04765649_decoy,ITAL,Decoy,0,-9.11794,-8.75,-4.28,-11.095841501000969
Cc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)N(C)C)cc3)sc2-c2ccccc2)cc1,C13375913_decoy,ITAL,Decoy,0,-9.65823,-9.62,-1.72,-15.132726360322348
Cc1cc(C)cc(N(C(=O)c2cnccn2)[C@@H](C(=O)Nc2ccc(F)cc2)c2ccc(F)cc2)c1,C01332071_decoy,ITAL,Decoy,0,-7.94554,-9.74,-2.42,-8.901875744532523
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)Nc1cccc2cccnc12,C14517021_decoy,ITAL,Decoy,0,-8.09094,-9.83,-2.14,-8.208407112296857
Cc1c(Br)ccc(NC(=O)CSc2nnc(-c3cc4ccccc4o3)n2C)c1C,C15018980_decoy,ITAL,Decoy,0,-7.57761,-7.16,-2.79,-6.118743093196843
CCn1c(SCC(=O)Nc2ccc(C)c(Br)c2)nnc1-c1cc2ccccc2o1,C15019309_decoy,ITAL,Decoy,0,-7.60854,-8.74,-2.68,-8.059852719717979
CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@@H]2C(=O)N(C3CCCCCC3)CC(=O)N12,C15954357_decoy,ITAL,Decoy,0,-10.1796,-9.92,-1.8,-11.88691534344724
CCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCCN3S(=O)(=O)c2ccc(F)cc2)cc1,C16837506_decoy,ITAL,Decoy,0,-8.69335,-8.04,-2.84,-7.64849527718735
COC(=O)C1=C(C)N(c2cccc(Br)c2)C(=S)N[C@H]1c1ccc(OC)c(OC)c1,C16959033_decoy,ITAL,Decoy,0,-9.33166,-6.45,-2.58,-7.304462042502082
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3Cl)C2)[C@@H]1c1coc2ccc(C)cc2c1=O,C09805129_decoy,ITAL,Decoy,0,-8.71088,-5.24,-3.08,-5.590547904981291
COC(=O)c1ccc([C@@H]2C3=C(C[C@@H](c4ccc(C)cc4)CC3=O)Nc3ccccc3N2C(C)=O)cc1,C09331821_decoy,ITAL,Decoy,0,-6.50015,-4.98,-2.03,-5.1475958825494255
COc1ccc(-n2nc3ccc(NC(=O)c4cccc(I)c4)cc3n2)cc1Cl,C20610722_decoy,ITAL,Decoy,0,-8.27084,-8.36,-1.9,-6.664712333092465
CCOc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@@H]4c3cccc(Br)c3)sc2c1,C21660954_decoy,ITAL,Decoy,0,-7.50001,-8.76,-0.58,-7.021195205548331
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cc3c(cc2Br)OCO3)C2=C(CCCC2=O)N1,C03098482_decoy,ITAL,Decoy,0,-8.69608,-8.2,-2.22,-10.206873319600763
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2nc(C(F)(F)F)nn2[C@@H]3c2ccc(Cl)cc2)cc1,C22711031_decoy,ITAL,Decoy,0,-8.83877,-4.61,-1.4,-5.347338456835157
O=C(CSc1nnc(-c2ccccc2Br)n1C1CCCCC1)Nc1nccs1,C32687347_decoy,ITAL,Decoy,0,-9.49647,-7.46,-2.84,-10.081537859525625
O=C(CSc1nnc(-c2cccc3ccccc23)o1)Nc1ccc(I)cn1,C32698477_decoy,ITAL,Decoy,0,-10.395,-10.43,-1.67,-12.3085935004858
CC(=O)c1ccc(NC(=O)c2cc(-c3cnn(-c4ccc(C)cc4)c3C)nc3ccc(C)cc23)cc1,C32998727_decoy,ITAL,Decoy,0,-7.829,-6.39,-1.75,-5.2944692563873055
Cc1ccc(N2CCCN(Cc3c(F)cccc3F)C2=O)c(NS(=O)(=O)c2ccccc2)c1,C34737752_decoy,ITAL,Decoy,0,-8.68444,-9.6,-1.75,-9.013620238477198
COC(=O)[C@@]1(C#N)[C@H](c2ccccc2)[C@@H](C(=O)Nc2ccc(Cl)cc2)N2C=Cc3ccccc3[C@@H]21,C35369287_decoy,ITAL,Decoy,0,-8.09382,-5.66,,99.0
Cc1sc2nc(CSc3nc4ccccc4c(=O)n3-c3ccc(F)cc3F)[nH]c(=O)c2c1C,C33694153_decoy,ITAL,Decoy,0,-9.34986,-6.97,-1.85,-6.6902925796074975
Cc1ccc(-n2c(SCc3nc4sc(C)c(C)c4c(=O)[nH]3)nnc2-c2ccccc2F)cc1,C23547245_decoy,ITAL,Decoy,0,-7.66174,-9.87,-2.27,-7.90142351349548
Cc1ccc(S(=O)(=O)Nc2ccc(N3CCCN(Cc4cccc(F)c4)C3=O)cc2)cc1F,C35916124_decoy,ITAL,Decoy,0,-8.16557,-8.81,-1.99,-7.375490537727141
Cc1ccc(C)c(NC(=O)CS[C@H]2N=C3C(=Nc4ccccc43)C(=O)N2c2ccccc2F)c1,C39725631_decoy,ITAL,Decoy,0,-9.33589,-9.05,-2.78,-9.27015859780076
Cc1ccccc1NC(=O)Cn1c(=O)n([C@H](C)c2ccccc2)c(=O)c2c3c(sc21)CCCC3,C39849849_decoy,ITAL,Decoy,0,-7.81303,-5.36,-3.48,-4.448345188611
CCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@H]1c1cc(Br)c(O)c(OC)c1,C39910492_decoy,ITAL,Decoy,0,-9.13008,-8.16,-2.83,-8.459868507036983
CCCCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@H]1c1cc(Br)c(O)c(OC)c1,C40020614_decoy,ITAL,Decoy,0,-9.54885,-5.81,-2.01,-7.65306859018333
Cc1ccc(-c2c(C)sc3nc(CSc4nc5ccccc5c(=O)n4C4CC4)[nH]c(=O)c23)cc1,C45452073_decoy,ITAL,Decoy,0,-8.09362,-6.53,-2.4,-5.3801856836198
COc1cc2c(-c3cc(Br)ccc3O)nc3c(c(C)nn3-c3ccccc3)c2cc1OC,C01210898_decoy,ITAL,Decoy,0,-6.50117,-5.61,-3.32,-3.8124575497260142
COc1ccc([C@H]2Oc3ccccc3C3=C2[C@@H](c2ccc(F)cc2)n2nc(SC)nc2N3)cc1,C02245053_decoy,ITAL,Decoy,0,-8.07611,-4.84,-2.59,-5.023630850704488
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C4/SC(=O)N(C)C4=O)c3C)sc3c2CCCC3)cc1,C59249164_decoy,ITAL,Decoy,0,-9.17983,-6.51,-2.92,-6.741407963668934
Cc1cc(O)c(C2=NN=C3C(=O)N(Cc4cccnc4)[C@@H](c4ccc(Cl)c(Cl)c4)[C@H]32)cc1Cl,C09124274_decoy,ITAL,Decoy,0,-8.41383,-8.84,-1.72,-7.918025924475318
Cc1ccc(C)c(-n2c(=O)c3sccc3n(CC(=O)Nc3ccc(Br)c(C)c3)c2=O)c1,C67218279_decoy,ITAL,Decoy,0,-8.73805,-4.4,-2.01,-4.736332574824074
CC(=O)N(c1nc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cs1)c1ccc(F)cc1F,C12762978_decoy,ITAL,Decoy,0,-8.16714,-7.63,-2.41,-7.286551779785339
Cc1ccc2c(CSc3nc4cc(C(=O)[O-])ccc4c(=O)n3-c3ccccc3)cc(=O)oc2c1C,C13265711_decoy,ITAL,Decoy,0,-9.74262,-8.08,-3.23,-9.060144876273435
Cc1ccc(CN(C)C(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2-c2ccccc2F)cc1,C13266940_decoy,ITAL,Decoy,0,-9.3883,-6.64,-3.72,-7.192365659424548
O=C([O-])c1ccc2c(=O)n(-c3ccccc3)c(SCC(=O)c3ccc(OC(F)F)cc3)nc2c1,C13279499_decoy,ITAL,Decoy,0,-8.27769,-8.51,-1.95,-8.50082585355642
Cc1ccc(-n2c(SCc3c(C(=O)[O-])oc4ccccc34)nc3sc4c(c3c2=O)CCC4)cc1,C13415117_decoy,ITAL,Decoy,0,-9.0639,-9.86,-3.99,-8.663988267145092
C=CCn1c(SCc2c(C(=O)[O-])sc3cccc(F)c23)nnc1[C@@H]1COc2ccccc2O1,C13417655_decoy,ITAL,Decoy,0,-6.85896,-7.97,-1.79,-7.24746793800083
CCc1c(C)sc2nc(SCc3c(C(=O)[O-])sc4cccc(F)c34)n(CCOC)c(=O)c12,C13428665_decoy,ITAL,Decoy,0,-9.52921,-6.92,,99.0
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2ccccc2[N+](=O)[O-])cc1,C16993817_decoy,ITAL,Decoy,0,-5.61378,-9.22,-1.78,-7.083816519815136
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1,C09329608_decoy,ITAL,Decoy,0,-8.36438,-10.84,-2.06,-11.230907026939958
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3cccc(C(F)(F)F)c3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1,C09073141_decoy,ITAL,Decoy,0,-6.60395,-8.78,-1.67,-7.103834540022232
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C(C)C)cc2)nc1C,C09302180_decoy,ITAL,Decoy,0,-9.45383,-8.22,-4.36,-10.98686615615298
O=C1N=C([O-])/C(=C/c2cn(Cc3cccc4ccccc34)c3ccccc23)C(=O)N1c1ccc(F)cc1,C08744417_decoy,ITAL,Decoy,0,-8.56048,-9.67,-2.19,-7.480745417101319
Cc1ccc(Cn2nc(C)c(-n3c([S-])nnc3[C@H](C)Cn3nc(C(F)(F)F)cc3C)c2C)cc1,C02731179_decoy,ITAL,Decoy,0,-8.03529,-9.6,,99.0
O=C(OCc1nnsc1Cl)c1ccccc1[N-]S(=O)(=O)c1ccc(Br)s1,C25592344_decoy,ITAL,Decoy,0,-9.57105,-4.38,-2.48,-6.073578022748031
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc([O-])c3ccccc3n2)cc1,C26779575_decoy,ITAL,Decoy,0,-9.48248,-9.58,,99.0
CCc1cc(C)cc(OCCOc2cccc(/C=C3\C(=O)N(c4ccc(C)cc4)C(=O)N=C3[O-])c2)c1,C27527821_decoy,ITAL,Decoy,0,-7.49824,-8.68,-2.23,-6.319446707343462
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(Cc3ccco3)[C@@H]2c2cccc(Br)c2)c1,C33423603_decoy,ITAL,Decoy,0,-8.17752,-7.54,-1.76,-7.958036157698835
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cccc(Oc3ccccc3)c2)c1,C33482369_decoy,ITAL,Decoy,0,-9.29389,-5.46,-2.41,-6.24691473991469
C=CCOc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)c1,C33516618_decoy,ITAL,Decoy,0,-8.96429,-7.59,-4.72,-7.815759751923023
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1,C33534497_decoy,ITAL,Decoy,0,-9.10619,-8.11,-3.37,-13.066809590443055
CCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1OC,C33642097_decoy,ITAL,Decoy,0,-8.94789,-8.11,-2.59,-8.678630540231453
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@@H]2c2cccs2)cc1C,C01450704_decoy,ITAL,Decoy,0,-7.57145,-6.99,-2.18,-6.126816088505352
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2ccco2)cc1,C35264050_decoy,ITAL,Decoy,0,-8.61208,-7.75,-1.79,-10.4008605313638
COc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@@]24C=C(C(C)C)[C@@H]3C[C@H]2[C@@]2(C)CCC[C@@](C)(C(=O)[O-])[C@H]2CC4)cc1,C35361462_decoy,ITAL,Decoy,0,-7.86623,-5.32,-3.07,-5.742038266350444
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2ccc(C(C)C)cc2)nc1C,C09292223_decoy,ITAL,Decoy,0,-9.54272,-9.9,-4.54,-13.585770409475083
COc1ccc([C@H]2[C@@H](C(=O)c3ccc4c(c3)CCCC4)[C@H](C(=O)[O-])SC3=NC(=O)S[C@H]32)cc1,C39361283_decoy,ITAL,Decoy,0,-8.90899,-5.1,-1.27,-5.6759061120884695
Cc1ccc(OCCn2cc(/C=C3\N=C([S-])N(C)C3=O)c3cc(Br)ccc32)cc1C,C39556586_decoy,ITAL,Decoy,0,-7.55269,-5.25,-2.15,-5.098482853709784
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@@]3(C)C(=O)CC[C@H]23)c1C,C39702349_decoy,ITAL,Decoy,0,-8.94259,-9.94,-2.34,-8.00417633007156
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Oc2ccc3c(c2)CC[C@H]2[C@H]4CCC(=O)[C@]4(C)CC[C@@H]32)c1C,C39702353_decoy,ITAL,Decoy,0,-8.93962,-10.0,-2.66,-8.072408228345845
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@@H]2c2ccccc2)o1,C39835177_decoy,ITAL,Decoy,0,-8.98096,-7.04,-2.43,-6.930848346659482
CCCSc1nnc(/N=C([O-])/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(F)cc2)s1,C39998027_decoy,ITAL,Decoy,0,-9.38861,-5.72,-2.69,-6.784736427632523
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(SC)cc2)s1,C39999839_decoy,ITAL,Decoy,0,-9.12962,-7.16,-2.07,-8.9064573641215
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(C(C)C)cc2)s1,C39999960_decoy,ITAL,Decoy,0,-7.49963,-5.1,-3.04,-5.699791854758777
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(C)cc2)s1,C40000335_decoy,ITAL,Decoy,0,-8.69559,-5.94,-2.09,-6.036081100008024
COc1ccc(N2C(=O)[C@H]3[C@H]4C[C@H]5[C@]6(C)CCC[C@@](C)(C(=O)[O-])[C@H]6CC[C@@]5(C=C4C(C)C)[C@H]3C2=O)cc1,C43737086_decoy,ITAL,Decoy,0,-8.05981,-4.8,-2.78,-5.164431664402329
O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cc(F)cc(F)c1,C49503803_decoy,ITAL,Decoy,0,-6.71257,-9.14,-3.76,-6.982793637975327
CCOc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4c(C)cccc4CC)c3C)C([O-])=NC2=S)c1,C59104680_decoy,ITAL,Decoy,0,-7.86057,-8.28,-3.11,-7.118422312365269
Cc1ccccc1OCCCn1cc(/C=C2/C(=O)N(C3CCCCC3)C(=O)N=C2[O-])c2ccccc21,C59109557_decoy,ITAL,Decoy,0,-8.18474,-8.36,-3.85,-7.144438842967324
CCOc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2[O-])ccc1OCc1ccccc1F,C59135917_decoy,ITAL,Decoy,0,-9.58765,-7.41,-3.18,-6.985384563423247
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(Cl)c(Cl)c4)C(=S)N=C3[O-])o2)cc1,C59137959_decoy,ITAL,Decoy,0,-9.29373,-9.54,-1.4,-7.580072797640871
O=C1N=C([O-])/C(=C\c2ccc(N3CCCC3)o2)C(=O)N1c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,C59138536_decoy,ITAL,Decoy,0,-7.54452,-7.0,-2.19,-4.8001905048231
CCO/C([O-])=C1\C(=O)/C(=C/c2ccc(OC)c(Br)c2)S\C1=N/c1ccc(OC)cc1,C59437177_decoy,ITAL,Decoy,0,-6.32365,-3.86,,99.0
COc1ccc(N2C(=O)/C(=C/c3ccc(Sc4ccc(Cl)cc4)o3)C([O-])=NC2=S)c(OC)c1,C59594438_decoy,ITAL,Decoy,0,-8.8762,-7.91,-2.34,-7.30319469015789
COc1ccc(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1I,C59598981_decoy,ITAL,Decoy,0,-8.03329,-4.66,-3.66,-4.62242722927626
CCOc1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2[O-])cc(Br)c1OCC,C59861532_decoy,ITAL,Decoy,0,-7.99036,-7.34,-2.09,-6.979041786042547
CC[C@@H](C)c1ccc(N2C(=O)N=C([O-])/C(=C\c3cccn3CCOc3ccccc3Cl)C2=O)cc1,C17058847_decoy,ITAL,Decoy,0,-9.11504,-7.95,-3.97,-8.28924634644588
CSc1ccc([C@H](c2c([O-])c3ccccc3oc2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1,C13139638_decoy,ITAL,Decoy,0,-10.0869,-8.79,-3.58,-10.893333222397084
CC[C@H](C)SC1=NC(=O)[C@H]2C(=N1)N=C1CC(C)(C)CC([O-])=C1[C@H]2c1ccccc1Br,C39775473_decoy,ITAL,Decoy,0,-9.65975,-4.19,-1.21,-5.763345331023511
CC(=O)c1ccc([N-]S(=O)(=O)c2c(C)c(C)cc3c(C)c(C(=O)N4CCCCCC4)oc23)cc1,C65010888_decoy,ITAL,Decoy,0,-8.52468,-5.71,-1.78,-6.018174813100498
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4)c4sc([S-])nc4S[C@@H]3C2=O)cc1,C40475488_decoy,ITAL,Decoy,0,-9.42798,-8.28,-0.47,-20.64064064241798
O=C(CSc1nc(C2CC2)nc2sc3c(c12)CCCC3)NCCc1ccccc1,C01332754_decoy,ITAL,Decoy,0,-9.63237,-8.42,-1.85,-8.64052251137674
CSc1nc(SCC(=O)NCCc2ccccc2)c2c3c(sc2n1)CCC3,C02240371_decoy,ITAL,Decoy,0,-8.04733,-7.44,-1.86,-7.679290218980901
CCc1ccc([C@H](C)NC(=O)COC(=O)c2ccc(C3SCCS3)cc2)cc1,C05584473_decoy,ITAL,Decoy,0,-8.48663,-7.44,-3.59,-7.011503842711318
O=c1nc(NC(c2ccccc2)(c2ccccc2)c2ccccc2)ccn1CCCl,C05808460_decoy,ITAL,Decoy,0,-8.12215,-8.92,-2.72,-9.39938844692779
CC[C@H](C)c1ccccc1OCCCOc1cccc(/C=C2/SC(=S)NC2=O)c1,C02882680_decoy,ITAL,Decoy,0,-9.07882,-7.34,-3.62,-7.383757979049617
CSc1ccc(-c2nc(CSCC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)c(C)o2)cc1,C06772235_decoy,ITAL,Decoy,0,-8.58924,-6.43,-2.52,-7.657539928859833
Cc1cccc(NC(=O)CCCCCN2C(=O)/C(=C/c3cccs3)SC2=S)c1C,C02381794_decoy,ITAL,Decoy,0,-8.37983,-7.59,-2.43,-8.511796498971158
CC(C)CCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1,C02367079_decoy,ITAL,Decoy,0,-8.7042,-7.59,-2.45,-8.412223419707741
CC(C)CCO[P@](=O)(c1ccc(N(C)C)cc1)[C@@H](O)c1ccc(Br)cc1,C02367083_decoy,ITAL,Decoy,0,-8.778,-7.94,-3.16,-8.775155207585343
Cc1ccc(SCCC(=O)OCC(=O)Nc2ccc(Br)cc2F)cc1,C10210756_decoy,ITAL,Decoy,0,-7.58298,-6.75,-1.97,-7.167638649492332
CC(=O)c1ccc(F)c(-c2cc(C)cc3c2O[C@H](CNC(=O)CCC(F)(F)F)C3)c1,C12150235_decoy,ITAL,Decoy,0,-9.1173,-8.91,-3.26,-8.458764465283288
C[C@H](Sc1ccccc1)C(=O)OCC(=O)N[C@H](C)c1ccc(Br)cc1,C12215561_decoy,ITAL,Decoy,0,-8.2439,-7.44,-2.67,-9.078853727290095
Cn1ccnc1[C@@H](NC(=O)[C@H](Sc1ccccc1)c1ccccc1)c1ccccc1F,C12507628_decoy,ITAL,Decoy,0,-8.94872,-8.99,-2.62,-9.10964121239944
CCCCO[P@@](=O)(c1ccc(N(C)C)cc1)[C@H](O)c1ccc(Br)cc1,C02389465_decoy,ITAL,Decoy,0,-7.91425,-7.18,-3.01,-7.823921921853114
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccc(N(C)C)cc1)N2,C13645036_decoy,ITAL,Decoy,0,-7.46922,-5.65,-1.36,-5.839306864808979
CCN(CC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(N(CC)CC)cc1)N2,C14462303_decoy,ITAL,Decoy,0,-7.5921,-4.59,-1.85,-5.830315445699614
O=C(CC(c1ccccc1)c1ccccc1)NCCc1csc(-c2ccccn2)n1,C19942284_decoy,ITAL,Decoy,0,-9.9909,-8.12,-1.73,-9.526939410560612
Cc1ccccc1CS/C(Nc1ccccc1)=C(\C#N)S(=O)(=O)c1ccccc1,C20325069_decoy,ITAL,Decoy,0,-9.40768,-5.0,-2.08,-6.090409356556068
Cc1ccccc1N/C(SCc1ccc(F)cc1)=C(/C#N)S(=O)(=O)c1ccccc1,C20325154_decoy,ITAL,Decoy,0,-8.99801,-5.72,-2.1,-6.447940027617184
Cc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccc(C(F)(F)F)cc2Cl)o1,C20407420_decoy,ITAL,Decoy,0,-8.95853,-9.04,-2.18,-10.649617223271116
CCC(=O)c1ccc(OC[C@H](O)CN2CCc3sccc3[C@@H]2c2cccs2)cc1,C14238390_decoy,ITAL,Decoy,0,-9.80144,-7.6,,99.0
Cc1nc(-c2cc(C(=O)NCCC3=CCCCC3)c(C)n2CC2CCCCC2)cs1,C33594415_decoy,ITAL,Decoy,0,-9.79058,-7.56,-0.61,-12.73817099792308
CCCC(=O)[C@H]1C(=O)C[C@H](c2ccccc2)C/C1=N/CCc1c(C)[nH]c2ccccc12,C04171666_decoy,ITAL,Decoy,0,-7.68207,-8.72,-2.79,-7.792273943834107
Cc1ccc(NC(=O)CS[C@H](C)C(=O)N(C)C(c2ccccc2)c2ccccc2)cc1,C36751397_decoy,ITAL,Decoy,0,-7.72369,-8.7,-2.53,-7.930880712034113
C=CCNC(=O)Cc1ccc(N(Cc2ccc(C)cc2)C(=O)c2cccc(F)c2)cc1,C37557230_decoy,ITAL,Decoy,0,-8.05762,-8.69,-1.89,-9.657810633491474
Cc1cccc(CNC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)C3CC3)c2)c1,C37601404_decoy,ITAL,Decoy,0,-8.4482,-9.34,-2.77,-10.643912579008209
Cc1ccc(SCC(=O)OCC(=O)N[C@H](C)c2ccc(Br)cc2)cc1,C09213003_decoy,ITAL,Decoy,0,-8.1997,-8.04,,99.0
Cc1cc(C)c(NC(=O)COC(=O)CSc2ccc(Br)cc2C)c(C)c1,C03525520_decoy,ITAL,Decoy,0,-8.15272,-7.77,-1.89,-10.537457969836428
O=C(Nc1ccccc1)[C@@H]1CC=CC[C@@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1,C38712140_decoy,ITAL,Decoy,0,-8.6119,-9.04,-1.2,-12.359951955686116
C=C(Br)Cn1c(CCCCCNC(=O)c2ccc(F)cc2)nc2ccccc21,C40214406_decoy,ITAL,Decoy,0,-6.89273,-7.81,-4.38,-6.817607830197643
CCCCC1CCC(C(=O)NCc2csc(=S)n2-c2ccc(OC)cc2)CC1,C41009637_decoy,ITAL,Decoy,0,-8.58191,-6.83,-2.6,-7.310808650626033
Cc1cc(C)cc(O[C@@H](C)C(=O)NCc2csc(=S)n2CCc2ccccc2)c1,C41009827_decoy,ITAL,Decoy,0,-7.39176,-7.53,-3.73,-7.398550622545821
O=C(NCCC(=O)N(Cc1ccc(F)cc1)C1CCCCC1)c1ccc(F)cc1F,C45868359_decoy,ITAL,Decoy,0,-7.14094,-9.96,,99.0
O=C(NC1CC1)c1ccc(CN(C(=O)c2ccc(C3CCCCC3)cc2)C2CC2)cc1,C46566435_decoy,ITAL,Decoy,0,-7.28692,-6.36,-2.51,-6.186681653818116
CN(Cc1ccc(C(=O)NC2CC2)cc1)C(=O)/C=C/c1ccc(-c2ccccc2F)s1,C46566756_decoy,ITAL,Decoy,0,-7.48325,-8.68,-3.83,-8.056964007217358
COc1ccc(CCNC(=O)CSCc2csc(-c3ccc(F)cc3)n2)cc1,C46588383_decoy,ITAL,Decoy,0,-8.88597,-7.2,-1.57,-7.766179905999973
O=C(NCCc1cc(F)cc2c1OCOC2)[C@@H](Sc1ccccc1)c1ccccc1,C58776896_decoy,ITAL,Decoy,0,-9.19618,-9.21,-2.09,-11.911622863830695
COc1cc(C)ccc1NC(=S)N(Cc1ccc(Br)cc1)Cc1ccco1,C33672967_decoy,ITAL,Decoy,0,-8.86373,-7.91,-2.01,-8.877108748227068
COc1cc(C)ccc1NC(=S)N(Cc1ccc(Cl)cc1Cl)C[C@@H]1CCCO1,C59060024_decoy,ITAL,Decoy,0,-9.93413,-7.41,-1.7,-9.956064853057097
COc1cc(C)ccc1NC(=S)N(Cc1ccc(Br)cc1)C[C@H]1CCCO1,C35352188_decoy,ITAL,Decoy,0,-9.63863,-7.87,-2.79,-9.060723646459683
COc1ccc(C)cc1NC(=S)N(Cc1c(F)cccc1Cl)C[C@H]1CCCO1,C06255795_decoy,ITAL,Decoy,0,-9.03137,-7.97,-1.87,-8.938911838981753
Cc1ccc(NC(=S)N(Cc2ccc(N(C)C)cc2)Cc2ccco2)c(Cl)c1,C06387135_decoy,ITAL,Decoy,0,-8.93032,-7.95,-2.33,-8.658039081998062
COc1ccc(CN(Cc2ccccc2)C(=S)Nc2ccc(C)c(Cl)c2)cc1OC,C59067817_decoy,ITAL,Decoy,0,-8.633,-7.78,-3.18,-8.10049995967664
COc1ccc(CN(Cc2ccc(Br)cc2)C(=S)NC[C@@H]2CCCO2)cc1,C59075079_decoy,ITAL,Decoy,0,-9.25334,-7.81,-3.14,-11.455340493533193
COc1ccc(CN(Cc2ccncc2)C(=S)Nc2ccc(Cl)cc2Cl)cc1,C59087367_decoy,ITAL,Decoy,0,-9.62138,-7.8,-3.46,-9.5484051278755
CN(C)c1ccc(CN(Cc2ccco2)C(=S)Nc2ccccc2C(F)(F)F)cc1,C06287458_decoy,ITAL,Decoy,0,-8.94941,-9.07,,99.0
CCOc1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2cccc(Cl)c2Cl)cc1,C59199873_decoy,ITAL,Decoy,0,-9.54342,-7.7,-2.42,-11.867109285011482
CCN(CC)c1ccc(/C=C2/SC(=S)N(CNc3cccc(F)c3)C2=O)cc1,C59378355_decoy,ITAL,Decoy,0,-6.52915,-6.86,-1.63,-6.2463088705729
CSc1nc(C)c(CCC(=O)NCCc2ccc(F)c(Br)c2)c(C)n1,C59802297_decoy,ITAL,Decoy,0,-8.47295,-7.33,-1.62,-7.402863315472373
O=C(NCCc1nc(-c2ccccc2)cs1)c1ccccc1C(=O)c1ccccc1,C65008509_decoy,ITAL,Decoy,0,-8.46788,-9.59,-1.98,-10.170547306801566
C[C@@H]1[C@@H](C(=O)[O-])[C@H](c2ccc(Cl)cc2)[NH2+][C@H]1C(=O)[O-],C16082731_decoy,ITAL,Decoy,0,-6.78372,-3.81,-1.37,-4.256927944781673
CCc1ccc(CNC(=O)N[C@](C)(CC)C(=O)[O-])s1,C19512124_decoy,ITAL,Decoy,0,-6.81234,-5.92,-4.24,-6.979501307227831
Nc1c(C(=O)[O-])c(=O)n(C[C@H]2CCCO2)c2ncccc12,C19732272_decoy,ITAL,Decoy,0,-6.86185,-7.29,-0.55,-7.394605948071575
O=c1[nH]cc(S(=O)(=O)[N-]c2ccccc2F)c(=O)[nH]1,C04479994_decoy,ITAL,Decoy,0,-6.11433,-8.14,-1.32,-7.671085195426803
C[C@H](NC(=O)[C@@H]1CCCC[C@@H]1C(=O)NC1CC1)C(=O)[O-],C33441820_decoy,ITAL,Decoy,0,-6.38933,-6.28,-1.69,-6.889113331106251
CCc1cc(C(=O)N[C@H](C(=O)[O-])C(C)C)c(NC(C)=O)s1,C33520052_decoy,ITAL,Decoy,0,-6.65084,-6.54,-1.69,-9.53554528075658
O=C([O-])CNC(=O)CNC(=O)Cc1ccc2c(c1)CCC2,C35097555_decoy,ITAL,Decoy,0,-6.515,-6.73,-1.57,-7.934769071397742
CC(=O)NCCNC(=O)C[C@@](C)(C(=O)[O-])c1ccccc1,C35148552_decoy,ITAL,Decoy,0,-5.94471,-7.92,-1.37,-7.24065011096987
Cc1nc(C(=O)NC2CCC(O)CC2)ccc1C(=O)[O-],C35347979_decoy,ITAL,Decoy,0,-5.91011,-4.44,-1.42,-3.2246013342060933
O=C([O-])CNC(=O)CNC(=O)c1cc(F)cc(Br)c1,C35383512_decoy,ITAL,Decoy,0,-6.85186,-6.91,-0.84,-7.294243154355948
C[C@H](NC(=O)C(C)(C)C)C(=O)N[C@@H](C(=O)[O-])C(C)(C)C,C35389678_decoy,ITAL,Decoy,0,-4.82828,-4.36,-2.3,-3.2228744528873583
Cc1nc(C2CC2)nc(S[C@@H](C)C(N)=O)c1C(=O)[O-],C35659944_decoy,ITAL,Decoy,0,-7.03485,-6.98,-0.44,-7.993786533963784
Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2C#N)on1,C37053660_decoy,ITAL,Decoy,0,-6.45933,-7.74,-1.19,-6.938714510030952
COc1ccc(NC(=O)NC2(C(=O)[O-])CCCC2)cc1,C37367217_decoy,ITAL,Decoy,0,-5.79231,-5.68,-0.88,-5.749739247341783
CC[C@H]1CCc2sc(C(=O)N[C@@H](C(=O)[O-])[C@@H](C)O)cc2C1,C37407508_decoy,ITAL,Decoy,0,-7.15192,-5.3,-1.55,-8.085346316007797
O=C(CCc1ccccc1O)NC1(C(=O)[O-])CCCC1,C37420346_decoy,ITAL,Decoy,0,-5.53641,-6.97,-1.83,-6.269302130248918
C[C@H](O)[C@H](NC(=O)CC12CC3CC(CC(C3)C1)C2)C(=O)[O-],C37429948_decoy,ITAL,Decoy,0,-6.85811,-6.39,-3.1,-6.948866271413482
O=C([O-])CNC(=O)c1ccc(NC(=O)C(F)(F)F)cc1,C37453794_decoy,ITAL,Decoy,0,-4.51051,-3.96,-1.32,-3.5034617994026944
O=C(COc1ccccc1O)NC1(C(=O)[O-])CCCC1,C37456313_decoy,ITAL,Decoy,0,-5.40959,-6.61,-1.99,-6.839124365857537
Cc1cnn(-c2ccc(S(N)(=O)=O)cc2C(=O)[O-])c1,C37677047_decoy,ITAL,Decoy,0,-5.83237,-3.88,-2.06,-3.700995695916315
CC1CCC(NC(=O)NC[C@@H]2CCCO2)(C(=O)[O-])CC1,C40429057_decoy,ITAL,Decoy,0,-6.28249,-6.33,-1.0,-6.1837953263579735
CC(C)NC(=O)[C@H]1CCCC[C@@H]1C(=O)N[C@@H](C)C(=O)[O-],C33442164_decoy,ITAL,Decoy,0,-6.8007,-6.13,-1.59,-8.963139829417685
CC1CCC(NC(=O)Nc2cccnc2)(C(=O)[O-])CC1,C40531717_decoy,ITAL,Decoy,0,-6.19832,-7.76,-0.9,-6.636430765916251
O=C(Nc1cc(F)cc(F)c1)NC1(C(=O)[O-])CCCC1,C40553025_decoy,ITAL,Decoy,0,-6.03404,-7.39,-0.89,-11.415034015671196
O=C(NC1CCOCC1)N[C@@H](C(=O)[O-])C1CCCCC1,C40589567_decoy,ITAL,Decoy,0,-6.43751,-6.2,-1.31,-6.534609108294966
C[C@@H]1CCC[C@](NC(=O)c2ccc(O)cc2)(C(=O)[O-])C1,C41033852_decoy,ITAL,Decoy,0,-6.94569,-4.28,-4.64,-3.7282033782262296
C[C@H]1CCCC[C@]1(NC(=O)c1ccc(=O)[nH]c1)C(=O)[O-],C41037397_decoy,ITAL,Decoy,0,-6.06704,-4.1,-1.34,-3.301746828533726
C[C@H]1CCCC[C@]1(NC(=O)c1cc(Cl)c[nH]1)C(=O)[O-],C41037449_decoy,ITAL,Decoy,0,-6.86477,-4.28,-0.71,-3.6160601648381374
CC(=O)N[C@@H](C(=O)N[C@]1(C(=O)[O-])CCCC[C@@H]1C)C(C)C,C41037901_decoy,ITAL,Decoy,0,-6.55906,-6.31,-3.91,-7.075145176619308
O=C([O-])COC[C@@H](O)c1ccc2c(c1)CCCC(=O)N2,C41072462_decoy,ITAL,Decoy,0,-6.77319,-6.08,-0.86,-6.33598446686428
CC(=O)Nc1ccc(NC2(C(=O)[O-])CCC(C)CC2)cc1,C41737000_decoy,ITAL,Decoy,0,-5.93961,-4.57,-1.33,-3.765857382629564
CC(=O)Nc1cccc(N[C@]2(C(=O)[O-])CCC[C@@H](C)C2)c1,C41755605_decoy,ITAL,Decoy,0,-6.15282,-6.4,,99.0
NC(=O)C1CCN(C(=O)N2CCC[C@H]2CC(=O)[O-])CC1,C42164590_decoy,ITAL,Decoy,0,-3.95346,-4.34,-1.18,-2.84892949190199
CC(C)N(CC(F)(F)F)C(=O)N[C@@H](C(=O)[O-])[C@H](C)O,C42795482_decoy,ITAL,Decoy,0,-4.72655,-6.49,-1.5,-6.560543133155681
O=C(Nc1cccc(F)c1)N[C@@]1(C(=O)[O-])CCSC1,C43511167_decoy,ITAL,Decoy,0,-6.63309,-6.82,-0.89,-6.83582217426023
C[C@H]1CCC[C@](NC(=O)NCC[C@@H]2CCCO2)(C(=O)[O-])C1,C44511371_decoy,ITAL,Decoy,0,-6.3664,-4.65,-3.16,-3.882291960517296
O=C(NC1(C(=O)[O-])CCCCC1)N1CCCC[C@@H]1CO,C48858907_decoy,ITAL,Decoy,0,-6.16316,-5.84,-1.53,-6.50249847346347
Cc1nc(CNC(=O)NC2(C(=O)[O-])CCCCC2)cs1,C49540008_decoy,ITAL,Decoy,0,-5.93992,-6.12,-1.87,-6.022885259226551
O=C([O-])C[C@H]1CCCCN1C(=O)N[C@@H]1CCCNC1=O,C50398418_decoy,ITAL,Decoy,0,-5.4286,-3.9,-1.79,-4.010409167985487
Cc1nc([S-])sc1CC(=O)N1CCO[C@@H](C(N)=O)C1,C50852122_decoy,ITAL,Decoy,0,-8.5642,-5.79,-1.49,-6.794612686305579
CSCC[C@H](NC(=O)NCC1CCOCC1)C(=O)[O-],C52171635_decoy,ITAL,Decoy,0,-7.27978,-5.67,-1.16,-6.448813020935638
CCC[C@](C)(NC(=O)N1CCC[C@H]1CCCO)C(=O)[O-],C52764081_decoy,ITAL,Decoy,0,-6.04905,-5.62,-1.35,-6.945811989687759
COCC[C@H](NC(=O)NC[C@H]1CCCC[C@@H]1C)C(=O)[O-],C52788030_decoy,ITAL,Decoy,0,-6.16228,-5.84,-2.15,-7.932473143969402
O=C(NCCOCCO)c1ccc(C(F)(F)F)nc1[O-],C55470793_decoy,ITAL,Decoy,0,-5.29744,-6.52,-1.29,-6.287383278944323
CCC1(CC)Oc2ccc(N)cc2N(CC(=O)[O-])C1=O,C58005099_decoy,ITAL,Decoy,0,-6.18105,-6.76,-0.68,-13.131534304296572
CCN(C(=O)c1ccc(C(N)=O)cc1)[C@H](C)CC(=O)[O-],C61180223_decoy,ITAL,Decoy,0,-5.71737,-6.71,-1.35,-6.918264805657623
O=C([O-])c1cc(F)c2c(ccc(=O)n2C[C@H](O)CO)c1,C62322088_decoy,ITAL,Decoy,0,-6.62497,-4.14,-2.02,-4.509138139703041
C[C@]1(C(=O)[O-])CCCN(C(=O)CCSCC(N)=O)C1,C62868958_decoy,ITAL,Decoy,0,-6.25455,-3.75,-1.64,-3.803871744828375
C[C@H](O)[C@H](NC(=O)N1CCC2(CCCC2)CC1)C(=O)[O-],C62960364_decoy,ITAL,Decoy,0,-6.54483,-4.11,-1.59,-4.740102021558919
CCn1c([C@H](O)[C@@H](O)C(=O)[O-])nc2cc(Cl)ccc21,C64874461_decoy,ITAL,Decoy,0,-6.46484,-4.5,-0.94,-3.674879276738016
CCC(C)(C)n1nnnc1[C@@H](c1cc2ccc(C)cc2[nH]c1=O)[NH+]1CCN(c2nc3ccccc3s2)CC1,C06149287_decoy,ITAL,Decoy,0,-8.12357,-5.93,-1.51,-6.325414914301127
CCC(C)(C)n1nnnc1[C@H](c1cc2ccc(C)cc2[nH]c1=O)[NH+](Cc1ccc(Cl)cc1)Cc1ccco1,C06149549_decoy,ITAL,Decoy,0,-8.14698,-9.41,-3.3,-8.761492553651312
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)[NH+](Cc3ccc(F)cc3)Cc3ccco3)cc2c1,C06196753_decoy,ITAL,Decoy,0,-8.80526,-8.38,-1.62,-9.447634570091672
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCN(c4ccc(F)cc4)CC3)cc2c1,C06133906_decoy,ITAL,Decoy,0,-7.97443,-7.89,-2.71,-6.806225609560107
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+](Cc3ccccc3)Cc3cccnc3)cc2c1,C06135196_decoy,ITAL,Decoy,0,-9.2969,-10.02,-3.37,-9.975309284614642
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCCC3)[NH+]3CCN(c4ccc(OC)cc4)CC3)cc2c1,C06135203_decoy,ITAL,Decoy,0,-9.57398,-8.96,-3.48,-11.069012501447032
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCN(c4cccc(C)c4C)CC3)cc2c1,C06135244_decoy,ITAL,Decoy,0,-10.0954,-6.08,-1.94,-6.396635607273859
CSc1nc(SCC(=O)Nc2ccc(C)cc2)c2sc3[nH+]c(N4CCOCC4)c4c(c3c2n1)CC(C)(C)OC4,C08767895_decoy,ITAL,Decoy,0,-9.03559,-6.94,-2.19,-6.780960194767292
Cc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)nc12,C08768421_decoy,ITAL,Decoy,0,-10.034,-7.12,-4.22,-8.540538687784423
Cc1ccc(S(=O)(=O)NC2=C(N3CC[NH+](C/C=C/c4ccccc4)CC3)C(=O)c3ccccc3C2=O)cc1,C08744270_decoy,ITAL,Decoy,0,-8.16701,-8.9,-3.04,-7.381165700358354
CC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc3)c2C(=O)OC)C1,C08880871_decoy,ITAL,Decoy,0,-8.99543,-6.69,-1.7,-9.092751080988709
Cc1ccc(-n2nc(C)c3c(C)c(CCC(=O)NCC[NH+]4CCC(Cc5ccccc5)CC4)c(C)nc32)cc1C,C09610295_decoy,ITAL,Decoy,0,-8.04249,-7.46,-3.27,-6.242968668519722
COc1ccc(N2CC[NH+]([C@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1,C06193749_decoy,ITAL,Decoy,0,-8.66032,-8.86,-2.13,-9.339258290918607
CCOc1ccc(C[NH+](C[C@H]2CCCO2)[C@H](c2cc3ccc(C)cc3[nH]c2=O)c2nnnn2C(C)(C)C)cc1,C12833855_decoy,ITAL,Decoy,0,-9.8151,-9.21,-4.83,-9.850689707029776
Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+](Cc3cccnc3)Cc3ccccc3Cl)c(=O)[nH]c2c1,C06282054_decoy,ITAL,Decoy,0,-9.5189,-6.93,-4.96,-7.554074776729907
CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+](Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O,C13064661_decoy,ITAL,Decoy,0,-9.04715,-8.38,-2.37,-9.856503948657442
CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+](Cc1cccs1)Cc1cc2c(C)cc(C)cc2[nH]c1=O,C13064893_decoy,ITAL,Decoy,0,-9.20866,-8.24,-3.27,-9.317038621814683
Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+](Cc3ccco3)Cc3cccs3)c(=O)[nH]c2cc1C,C06321016_decoy,ITAL,Decoy,0,-9.99664,-8.87,-3.4,-9.225188814512208
COCCn1nnnc1[C@H](c1cc2cc(C)c(C)cc2[nH]c1=O)[NH+](CCc1ccccc1)Cc1cccs1,C06321055_decoy,ITAL,Decoy,0,-8.6762,-7.35,-1.98,-8.23484650954737
CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@H]1c1cccc(Br)c1,C09471379_decoy,ITAL,Decoy,0,-9.18999,-8.99,-3.82,-9.643379738344128
Cc1cccc2cc([C@H](c3nnnn3C3CCCCC3)[NH+](CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c12,C06443958_decoy,ITAL,Decoy,0,-9.4648,-10.86,-1.7,-12.285579828305249
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCN(c4cccc(C)c4C)CC3)cc2c1,C06443097_decoy,ITAL,Decoy,0,-9.4267,-10.44,-1.93,-12.272732584551166
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCN(c4cccc(C)c4C)CC3)cc2c1,C06442955_decoy,ITAL,Decoy,0,-10.467,-10.89,-3.37,-13.024775382340453
Cc1ccc(C)c(N2CC[NH+]([C@@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3C[C@H]3CCCO3)CC2)c1,C06195688_decoy,ITAL,Decoy,0,-9.81853,-10.84,-3.02,-12.530950445240318
Cc1ccc(C)c(N2CC[NH+]([C@@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)c1,C06195690_decoy,ITAL,Decoy,0,-9.82323,-10.47,-1.76,-15.080187424382638
Cc1ccc(C)c(N2CC[NH+]([C@H](c3cc4cc(C)cc(C)c4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)c1,C06195854_decoy,ITAL,Decoy,0,-9.21597,-8.87,-1.65,-8.118858997829214
Cc1ccc(C)c(N2CC[NH+]([C@H](c3cc4c(C)ccc(C)c4[nH]c3=O)c3nnnn3C[C@H]3CCCO3)CC2)c1,C06195806_decoy,ITAL,Decoy,0,-8.1629,-10.95,-1.65,-9.12284155204999
Cc1cc(C)c2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1,C06443045_decoy,ITAL,Decoy,0,-8.90693,-9.96,-2.87,-8.501241791338833
Cc1ccc(C)c(N2CC[NH+]([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C[C@@H]3CCCO3)CC2)c1,C06195632_decoy,ITAL,Decoy,0,-9.25016,-9.53,-4.54,-9.420366579694733
Cc1ccc(C)c(N2CC[NH+]([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3Cc3ccccc3)CC2)c1,C06195638_decoy,ITAL,Decoy,0,-8.36281,-10.26,-2.99,-11.381935258660624
Cc1ccc2cc([C@@H](c3nnnn3Cc3ccccc3)[NH+](Cc3ccccc3)Cc3cccnc3)c(=O)[nH]c2c1,C06282188_decoy,ITAL,Decoy,0,-9.14082,-9.86,-4.31,-9.925398015356931
O=C(CN(Cc1ccccc1)c1nc(Cc2ccc(F)cc2)ns1)NC1CC[NH+](Cc2ccccc2)CC1,C16496199_decoy,ITAL,Decoy,0,-8.92094,-9.06,-4.49,-8.331739528131488
CCCC(=O)OCc1cnc(C)c2o/c(=[NH+]\c3ccc(C)cc3)c(C(=O)Nc3ccc(OC)cc3OC)cc12,C20617675_decoy,ITAL,Decoy,0,-7.92492,-5.31,-3.28,-5.888146008342853
CCOC(=O)c1ccc(Oc2coc3c(C[NH+]4CCCC[C@@H]4c4ccc(OC)cc4)c(O)ccc3c2=O)cc1,C27100149_decoy,ITAL,Decoy,0,-8.44172,-6.8,-3.03,-7.018921470813639
Cc1ccc(NC(=O)C[NH+]2CCN(c3nc4sc(C)c(C)c4c(=O)n3Cc3ccc(C)cc3C)CC2)cc1,C34748818_decoy,ITAL,Decoy,0,-9.41563,-8.24,-2.09,-11.366020325383614
CCc1c(C)sc2nc(N3CC[NH+](CC(=O)Nc4ccccc4)CC3)n(Cc3ccc(C)cc3C)c(=O)c12,C34749433_decoy,ITAL,Decoy,0,-8.01012,-6.86,-2.06,-6.462701934946385
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)CN1CC[NH+](Cc2cc(OC)ccc2OC)CC1,C22919145_decoy,ITAL,Decoy,0,-9.15976,-6.56,-2.24,-10.777695587014714
COc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(F)c2)cc1,C35695477_decoy,ITAL,Decoy,0,-8.12131,-4.83,-2.69,-5.981092540189962
C[NH+](C)Cc1nc(N2CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c2c3c(sc2n1)CCCC3,C35867786_decoy,ITAL,Decoy,0,-9.08443,-6.28,-3.5,-8.22199993621262
Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@@H]3c2ccccc2C)c1,C37426672_decoy,ITAL,Decoy,0,-7.39949,-4.66,-3.18,-5.949481906348248
CCOc1ccc([C@@H]2c3[nH]c4ccccc4c3C[C@H]3C(=O)N(C4CC[NH+](Cc5ccccc5)CC4)CC(=O)N23)cc1OC,C01318674_decoy,ITAL,Decoy,0,-11.0505,-5.98,-2.73,-7.240520591799774
CCN(CC)S(=O)(=O)c1ccc(C(=O)NCC[NH+]2CCN(c3nc4c(C)cc(C)cc4s3)CC2)cc1,C38776374_decoy,ITAL,Decoy,0,-7.04152,-6.33,-2.39,-5.667272624580276
Cc1ccc(C)c2sc(N3CC[NH+](CCNC(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)CC3)nc12,C38776624_decoy,ITAL,Decoy,0,-7.5202,-8.61,-2.28,-7.060244709256011
Cc1ccc2sc(N3CC[NH+](CCNC(=O)c4ccc(S(=O)(=O)N5CCCC5)cc4)CC3)nc2c1C,C39703015_decoy,ITAL,Decoy,0,-8.93205,-6.29,-1.87,-7.272944998307148
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)c2ccc(C(C)C)cc2)cc1,C44873638_decoy,ITAL,Decoy,0,-9.40466,-9.17,-4.06,-8.215692486168521
COc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,C44877786_decoy,ITAL,Decoy,0,-9.03446,-8.93,-4.66,-7.89101436480385
Cc1ccc(Cn2cc3c(n2)-c2c(oc(C(=O)NCCC[NH+]4CCC(Cc5ccccc5)CC4)c2C)CC3)cc1,C08912063_decoy,ITAL,Decoy,0,-8.94748,-8.66,-3.84,-8.309106814169064
CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+](CCc1ccccc1)Cc1cc2cc3c(cc2[nH]c1=O)OCO3,C01375957_decoy,ITAL,Decoy,0,-9.14493,-7.88,-2.92,-8.82072875393142
CCc1ccc(-c2cc(C(=O)N[C@@H](C)CCC[NH+](CC)CC)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1,C57312043_decoy,ITAL,Decoy,0,-9.07672,-4.93,-3.71,-6.929192725203983
CCOc1ccc(/C=C2/Sc3ccc(C(=O)NCCC4=c5ccccc5=[NH+]C4)cc3N(C)C2=O)cc1OC,C63729428_decoy,ITAL,Decoy,0,-8.56726,-7.92,-2.72,-7.275947307780961
C=C1C(=O)[C@@]23[C@H]([C@H](OC(C)=O)C[C@@]14OC(C)(C)O[C@H]24)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@@H]1C[C@H]3OC(C)=O,C04268200_decoy,ITAL,Decoy,0,-7.28526,-4.7,-3.15,-5.612326111286971
COc1cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccc([N+](=O)[O-])cc1,C00786615_decoy,ITAL,Decoy,0,-7.61098,-6.39,-3.39,-5.900314820088675
COc1ccc(-c2oc3ncn4nc(-c5ccccc5Br)nc4c3c2-c2ccc(OC)cc2)cc1,C01818716_decoy,ITAL,Decoy,0,-8.3939,-5.21,-2.16,-5.571246250709853
C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OCC)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21,C08451313_decoy,ITAL,Decoy,0,-9.16578,-7.41,-3.87,-9.249824589022266
CCc1ccc2c(c1)s/c(=N\C(=O)c1ccc(S(=O)(=O)N3CCCC[C@H]3CC)cc1)n2CC(=O)OC,C09275867_decoy,ITAL,Decoy,0,-9.74633,-8.74,-3.68,-9.493531767750044
Cc1cc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)sc2cc1C,C10526515_decoy,ITAL,Decoy,0,-9.08652,-5.36,-2.86,-6.432783810384545
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(CC)cccc3s2)cc1,C10879907_decoy,ITAL,Decoy,0,-9.85631,-8.51,-2.5,-12.615129612973789
Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)nc12,C10888727_decoy,ITAL,Decoy,0,-10.3598,-8.67,-2.35,-12.467402974088388
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(CC)cc3s2)cc1,C11071300_decoy,ITAL,Decoy,0,-9.66973,-7.23,-3.87,-8.080726892917834
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C)cc(C)cc3s2)cc1,C11142656_decoy,ITAL,Decoy,0,-9.82938,-9.13,-3.82,-11.184583481216588
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)ccc(C)c3s2)cc1,C11143240_decoy,ITAL,Decoy,0,-9.11787,-8.25,-1.98,-11.47448812170183
COc1ccc(-c2nc3cc(Cl)ccc3cc2CN(C[C@H]2CCCO2)C(=O)CCn2nc(C)cc2C)cc1,C11790709_decoy,ITAL,Decoy,0,-9.19475,-8.55,-2.81,-8.231294454222535
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)c(C)cc3n2CC(=O)OC)cc1,C09510943_decoy,ITAL,Decoy,0,-8.84358,-8.14,-1.9,-7.446004513784481
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2C(C(=O)OC)=C(C)N=C(C)C2C(=O)OC)cc1C,C15229521_decoy,ITAL,Decoy,0,-7.59663,-5.2,-3.84,-5.882912114652617
O=C1c2cc3sccc3n2C[C@](C(=O)NC2CCCCCCC2)(c2ccccc2)N1Cc1cccc(F)c1,C15677121_decoy,ITAL,Decoy,0,-8.13782,-8.0,-3.72,-7.100313716828551
COCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)S(=O)(=O)c1ccc(OC)cc1,C16509167_decoy,ITAL,Decoy,0,-9.79811,-8.14,-1.75,-12.064100725283716
COc1ccc(N2CCN(C(=O)CCN(Cc3ccco3)c3nc(Cc4ccc(C)cc4)ns3)CC2)cc1,C16516271_decoy,ITAL,Decoy,0,-8.74823,-8.65,-2.53,-11.130184561671522
COc1ccc(Cn2nnnc2[C@H](c2ccc(OC)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1,C13496334_decoy,ITAL,Decoy,0,-8.82882,-8.14,-3.56,-7.813391026407845
Cc1cccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)nc12,C22858666_decoy,ITAL,Decoy,0,-9.05148,-8.55,-3.47,-11.03974258051397
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N(C)C[C@H]4CCCO4)cc3)sc2c1,C22858682_decoy,ITAL,Decoy,0,-10.065,-8.5,-2.88,-14.31243365506543
Cc1ccc2sc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc2c1C,C22886816_decoy,ITAL,Decoy,0,-8.50297,-9.03,-4.8,-8.667718941501363
CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(OC)ccc(C)c3s2)cc1,C22900454_decoy,ITAL,Decoy,0,-8.64452,-7.12,-3.37,-9.446847616090515
COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)C[C@H]2CCCO2)cc1,C33397707_decoy,ITAL,Decoy,0,-9.48197,-6.9,-2.53,-8.217618844879272
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C1CC1)C(=O)C2,C33680550_decoy,ITAL,Decoy,0,-9.02886,-8.46,-3.86,-11.631641340034395
CCOC(=O)[C@@H]1CCCN(c2c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(C)c(C#N)c(=O)n2C)C1,C33812347_decoy,ITAL,Decoy,0,-6.18727,-4.72,-2.95,-3.637121285418528
CCOC(=O)[C@@H]1CCCN(c2c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(C)c(C#N)c(=O)n2C)C1,C33812348_decoy,ITAL,Decoy,0,-8.22721,-4.8,-2.78,-5.8212635580247785
CC[C@@H](C)CN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)c1ccc([N+](=O)[O-])cc1Cl,C34882979_decoy,ITAL,Decoy,0,-8.84305,-7.5,-3.28,-8.561694484507683
CC[C@H](C)CN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)c1ccc([N+](=O)[O-])cc1Cl,C34882981_decoy,ITAL,Decoy,0,-8.49103,-6.83,-3.84,-8.755947992940438
CCOC(=O)c1c(C)c(C(=O)[C@@H](C)N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(C)cc2)c(C)n1CC,C35542986_decoy,ITAL,Decoy,0,-8.73577,-7.86,-3.64,-10.38183761745323
CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(OC)cc1)S(=O)(=O)c1ccc(OC)cc1,C35770955_decoy,ITAL,Decoy,0,-9.64165,-8.08,-3.74,-8.507727394461124
CCn1c(C)c(C(=O)CN(CCC(C)C)S(=O)(=O)c2ccc(Br)cc2)c(C)c1C(=O)OC,C35869492_decoy,ITAL,Decoy,0,-8.34164,-7.31,-2.37,-7.842895730869878
COc1ccc(Oc2c(CN(C[C@@H]3CCCO3)C(=O)c3cccc(OC)c3)c(C)nn2-c2ccccc2)cc1,C35976921_decoy,ITAL,Decoy,0,-9.09288,-8.24,-3.75,-8.764796773967902
Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@H]3CCCO3)C(=O)c3ccccc3)n2C2CCCCC2)c1,C36030623_decoy,ITAL,Decoy,0,-7.9551,-7.75,-3.3,-7.338808475885242
Cc1ccc(C(=O)N(Cc2cnc(S(=O)(=O)Cc3ccc(F)cc3)n2C[C@@H]2CCCO2)CC(C)C)cc1,C36030806_decoy,ITAL,Decoy,0,-8.39753,-6.76,-2.27,-7.101298733964454
Cc1ccccc1CS(=O)(=O)c1ncc(CN(C[C@H]2CCCO2)C(=O)CC(C)(C)C)n1Cc1ccccc1,C36040343_decoy,ITAL,Decoy,0,-8.75925,-6.73,-4.79,-8.791835043641948
CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1cccc(OC)c1)S(=O)(=O)c1ccc(C)cc1,C36124120_decoy,ITAL,Decoy,0,-10.1238,-8.17,-2.46,-8.99569792556523
CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CCC)c2N2CCC(C(=O)OCC)CC2)SC1=S,C39770230_decoy,ITAL,Decoy,0,-8.4908,-7.15,-4.43,-8.335946491086782
CCCCn1c(N2C[C@H](C)C[C@H](C)C2)c(/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c(C#N)c1=O,C39770677_decoy,ITAL,Decoy,0,-8.63403,-4.97,-2.57,-5.952930793819532
CCCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2/SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O,C39770694_decoy,ITAL,Decoy,0,-5.77948,-4.5,-2.77,-5.480020948915182
C=CCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCC[C@@H](C(=O)OCC)C2)SC1=S,C39770711_decoy,ITAL,Decoy,0,-9.44303,-4.3,-3.29,-6.151907833587652
CCCCOC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OCC)c(OC)c2)cc1,C39872016_decoy,ITAL,Decoy,0,-8.18603,-5.85,-1.7,-7.336027843147058
CCCCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(OC)c2)cc1OC,C39874669_decoy,ITAL,Decoy,0,-8.35569,-6.14,,99.0
CCOC(=O)C1CCN(c2c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(C)c(C#N)c(=O)n2CC)CC1,C39989846_decoy,ITAL,Decoy,0,-9.24007,-4.33,-2.51,-5.654777668493546
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OC)c(OC)c1)N(CCc1ccc(OC)c(OC)c1)C3=O,C40043815_decoy,ITAL,Decoy,0,-8.67192,-6.98,-3.84,-7.204218761768329
COc1ccc(OC)c(N2C[C@H](c3nc4ccccc4n3CCCOc3ccc(C(C)(C)C)cc3)CC2=O)c1,C40253634_decoy,ITAL,Decoy,0,-8.21449,-7.61,-4.1,-7.187442473346579
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)N2CCC(Oc3nc4c(C)ccc(C)c4s3)CC2)cc1,C49442698_decoy,ITAL,Decoy,0,-8.20053,-7.0,-1.9,-6.774379471860846
COc1ccc([C@@H]2N(/C(C)=N\S(=O)(=O)c3ccc(C)cc3)CCN2S(=O)(=O)c2ccc(C)cc2)cc1,C10078460_decoy,ITAL,Decoy,0,-9.55829,-7.81,-4.08,-8.45230715296745
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)c1ccc(F)cc1,C00714531_decoy,ITAL,Decoy,0,-8.22099,-8.51,-2.82,-8.429267964958088
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1,C01793901_decoy,ITAL,Decoy,0,-9.23043,-7.76,-3.27,-7.632224280485031
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cn(CC)c4ccccc34)c(=O)n2[C@H]1c1ccc(OC(C)C)cc1,C59103925_decoy,ITAL,Decoy,0,-9.58947,-7.37,-3.49,-7.487746791239125
C[NH+]1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)CC1,C08858005_decoy,ITAL,Decoy,0,-8.72721,-7.95,-2.9,-7.138718126693254
O=C(Cn1c(C[NH+]2CCCCC2)nc2sc3c(c2c1=O)CCCC3)N1CCc2ccccc21,C09223319_decoy,ITAL,Decoy,0,-7.98727,-8.66,,99.0
C[NH+](C)CCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(F)cccc2s1,C09386371_decoy,ITAL,Decoy,0,-9.65851,-8.06,-2.74,-9.890831963148417
C[NH+](C)CCCN(C(=O)CS(=O)(=O)c1ccc(F)cc1)c1nc2c(F)cc(F)cc2s1,C09386601_decoy,ITAL,Decoy,0,-9.56016,-6.8,-1.75,-8.672496401600574
Cc1ccc(S(=O)(=O)CC(=O)N(CC[NH+](C)C)c2nc3c(C)ccc(Cl)c3s2)cc1,C09387364_decoy,ITAL,Decoy,0,-9.51377,-8.6,-2.34,-13.955695818443944
C[C@H](c1nnc(S[C@H](C(=O)N2CCCC2)c2ccccc2)n1-c1ccc(F)cc1)[NH+](C)C,C09464764_decoy,ITAL,Decoy,0,-9.44806,-8.18,-2.44,-9.561294080229938
O=C(C[NH+]1CCC(c2nc3ccccc3s2)CC1)N(C1CCCCC1)[C@@H]1CCS(=O)(=O)C1,C09666339_decoy,ITAL,Decoy,0,-8.04291,-8.04,-2.44,-10.609706124042884
C[NH+](C)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2c(S(C)(=O)=O)cccc2s1,C10814352_decoy,ITAL,Decoy,0,-9.02255,-8.17,-3.52,-9.42829640026301
COc1ccc(OC)c([C@@H]2CCC[NH+]2CCS(=O)(=O)c2ccc(Br)cc2)c1,C11436697_decoy,ITAL,Decoy,0,-7.98887,-7.35,-2.6,-7.377810349734506
CN(Cc1ccccc1)C(=O)CSc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1,C12136514_decoy,ITAL,Decoy,0,-9.48605,-7.41,-2.79,-7.745158594405619
Cc1ccc(C)c(C[NH+]2CCN(c3cccc4c3C(=O)N([C@@H](C)c3nccs3)C4=O)CC2)c1,C12243149_decoy,ITAL,Decoy,0,-8.24755,-4.85,-2.86,-4.8823964683921774
O=C(C[NH+]1CCC[C@@H](c2nc3ccccc3s2)C1)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1,C13165298_decoy,ITAL,Decoy,0,-9.22873,-5.02,-4.26,-5.646060023443622
O=C(C[NH+]1CCC[C@@H](c2nc3ccccc3s2)C1)N(Cc1ccccc1)[C@@H]1CCS(=O)(=O)C1,C13165322_decoy,ITAL,Decoy,0,-8.57205,-7.57,-2.4,-6.971181713366026
O=C(Cn1c(C[NH+]2CCCCC2)nc2scc(-c3cccs3)c2c1=O)N1CCCCC1,C14142415_decoy,ITAL,Decoy,0,-9.07731,-7.58,,99.0
COCCN1C(=O)N(Cc2cccc3ccccc23)C(=O)C12CC[NH+](Cc1ccsc1)CC2,C14536762_decoy,ITAL,Decoy,0,-9.47136,-5.38,-1.66,-6.236989750877359
COCCN1C(=O)N(Cc2cccc3ccccc23)C(=O)C12CC[NH+](C1CCSCC1)CC2,C14538922_decoy,ITAL,Decoy,0,-8.45843,-5.63,-1.78,-6.454626093921287
O=C1N(Cc2ccccn2)C(=O)C2(CC[NH+](Cc3ccsc3)CC2)N1CCc1ccccc1,C14755763_decoy,ITAL,Decoy,0,-8.22678,-8.99,-2.89,-8.092393345447636
Fc1ccc(CSc2nnc(C3CC[NH+](Cc4ccncc4)CC3)n2C[C@H]2CCCO2)cc1,C14984134_decoy,ITAL,Decoy,0,-8.26192,-6.61,-2.5,-7.078517335513719
CCc1c(C(=O)N2CCN(c3ccc(C)cc3C)CC2)c(=O)cc(C)n1C[C@H]1CCC[NH+]1CC,C15072835_decoy,ITAL,Decoy,0,-7.63617,-5.63,-1.96,-5.885091665917414
CN(C)C(=O)[C@H](Sc1nnc(C[NH+]2CCCCC2)n1-c1ccc(F)cc1)c1ccccc1,C17720212_decoy,ITAL,Decoy,0,-7.57356,-8.56,-2.57,-9.438821415612034
Fc1ccc(Cn2nnnc2[C@@H](c2ccc(C(F)(F)F)cc2)N2CC[NH+]3CCC[C@@H]3C2)cc1,C19334883_decoy,ITAL,Decoy,0,-8.56869,-9.9,-1.64,-12.002435354569547
Cc1cc(C)n(-c2ccc(F)cc2CN2CCn3c([C@H]4CCOC4)[nH+]c(CCC(C)C)c3C2)n1,C14538259_decoy,ITAL,Decoy,0,-9.83637,-7.59,-4.12,-7.890413338511831
CCc1cc2c(=O)n(C[NH+](C)Cc3c(C)nn(Cc4ccccc4Cl)c3C)cnc2s1,C22314319_decoy,ITAL,Decoy,0,-6.9884,-8.51,-3.41,-7.61540593249246
N#CCn1c(C[NH+]2CCN(Cc3cccs3)CC2)nc2scc(-c3ccccc3)c2c1=O,C22921920_decoy,ITAL,Decoy,0,-8.4486,-5.46,-1.53,-6.228619871598075
COc1cccc(C(=O)C[NH+]2CCC(S(=O)(=O)c3ccc(-c4cccs4)cc3)CC2)c1,C24874608_decoy,ITAL,Decoy,0,-8.156,-5.39,-3.7,-4.858780874470071
CCCCN1C(=O)/C(=C\c2c(N3CC[NH+](C)CC3)nc3c(C)cccn3c2=O)SC1=S,C27016578_decoy,ITAL,Decoy,0,-8.19503,-6.94,-3.93,-6.898764850653812
Cc1cc(C(=O)C[NH+]2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c(C)n1C(C)C,C31585507_decoy,ITAL,Decoy,0,-8.89515,-6.6,-1.81,-7.028637225209569
CN(C)C(=O)Cn1c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2sc3c(c2c1=O)CCC3,C34747880_decoy,ITAL,Decoy,0,-7.50985,-7.61,-1.38,-6.882172510858317
Cc1ccc(C[NH+]2CCN(c3nc4sc(C)c(C)c4c(=O)n3CC(=O)N3CC3)CC2)c(C)c1,C34748513_decoy,ITAL,Decoy,0,-8.48306,-9.4,-1.54,-7.82018569474885
O=C(C[NH+]1CCN(c2nc(Cc3ccccc3)nc3sc4c(c23)CCC4)CC1)N1CCCC1,C34756977_decoy,ITAL,Decoy,0,-8.40917,-7.01,-1.32,-6.787615588400645
Cc1ccc(/C(=N\c2ccccc2)Nc2snc(/C(C#N)=C\N(C)C)[n+]2-c2c(C)cc(C)cc2C)cc1,C32620239_decoy,ITAL,Decoy,0,-9.19056,-9.3,-1.95,-9.300894094511216
Cn1c(-c2ccccc2)c(C(=O)CN2CC[NH+]([C@H]3CCS(=O)(=O)C3)CC2)c2ccccc21,C22784130_decoy,ITAL,Decoy,0,-9.25397,-7.76,-3.28,-7.517366251280474
CC1CCN(S(=O)(=O)c2cccc(-c3csc(Nc4ccccc4)[n+]3Cc3ccccc3)c2)CC1,C35447737_decoy,ITAL,Decoy,0,-8.6991,-9.47,-2.79,-9.615570846571686
C[C@@H]1CCCN(S(=O)(=O)c2cccc(-c3csc(Nc4ccccc4)[n+]3Cc3ccccc3)c2)C1,C35447752_decoy,ITAL,Decoy,0,-9.89137,-6.97,-3.38,-7.099434622535646
CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cccc(Br)c1,C35486347_decoy,ITAL,Decoy,0,-7.67511,-7.55,-2.6,-11.717368116464051
Cc1ccc(C(=O)N(CC[NH+](C)C)Cc2ccccc2)c(C2CCN(C(=O)c3cc(F)cc(F)c3)CC2)n1,C35914235_decoy,ITAL,Decoy,0,-8.4881,-7.75,-2.09,-7.75616902220241
O=S(=O)(c1ccc(-c2csc(Nc3ccccc3)[n+]2CCc2ccccc2)cc1)N1CCCC1,C36056140_decoy,ITAL,Decoy,0,-8.91346,-9.04,-2.0,-10.597754744111084
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)[C@H]3CC(=O)N(c4ccc(F)cc4)C3)nc2c1C,C36641355_decoy,ITAL,Decoy,0,-9.42818,-8.64,-3.75,-9.50202570304771
Cc1ccc2c(c1)=[NH+]C(=O)[C@H](CN(Cc1cccnc1)S(=O)(=O)c1ccc(Cl)cc1)C=2,C39012099_decoy,ITAL,Decoy,0,-9.24939,-7.31,-1.62,-9.274222418951933
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCC([NH+]3CCCCC3)CC2)c2ccccc2)cc1,C39266475_decoy,ITAL,Decoy,0,-8.31889,-9.7,-2.33,-9.88582453213047
COc1ccc2c(c1)=C[C@@H](CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1)C(=O)[NH+]=2,C39324794_decoy,ITAL,Decoy,0,-8.05889,-9.46,-1.83,-10.239490103388516
COc1ccc(S(=O)(=O)N(Cc2cccs2)C[C@@H]2C=c3cccc(C)c3=[NH+]C2=O)cc1,C39324962_decoy,ITAL,Decoy,0,-9.37047,-4.92,-2.81,-5.62340342190065
Cc1ccc(Nc2scc(-c3ccc(S(=O)(=O)N4CCCCC4)cc3)[n+]2CCc2ccccc2)cc1,C39835040_decoy,ITAL,Decoy,0,-9.52281,-8.85,-3.02,-9.790289436469603
CCC(=O)N1CCc2cc(Br)c(S(=O)(=O)N3CC[NH+](C4CCCCC4)CC3)cc21,C40450373_decoy,ITAL,Decoy,0,-8.64312,-9.01,-3.45,-8.66733218143617
COCCN1CC[NH+]([C@@H]2CCc3c(sc4ncn(CCc5ccc(F)cc5)c(=O)c34)C2)CC1,C23374482_decoy,ITAL,Decoy,0,-8.97534,-7.26,-3.21,-6.629778802124264
CC1CC[NH+](C[C@H]2CCCN(C(=O)c3ccc(S(=O)(=O)N4CCCC[C@@H]4C)cc3)C2)CC1,C58135902_decoy,ITAL,Decoy,0,-8.34408,-6.33,-4.28,-6.210776378569169
COCCCN1CC(=O)N2[C@H](c3cccc4ccccc34)[C@@H]3[NH+]=c4ccccc4=C3C[C@H]2C1=O,C63137781_decoy,ITAL,Decoy,0,-6.49273,-4.98,-1.69,-4.638651656252502
CC(C)c1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(C[C@@H]4CCCO4)CC(=O)N32)cc1,C63140153_decoy,ITAL,Decoy,0,-8.04979,-6.33,-2.25,-6.427610655861243
CCc1ccc([C@H]2CN3C(=O)CN(CCN4CCOCC4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1,C63372546_decoy,ITAL,Decoy,0,-7.46968,-5.68,-0.98,-4.714827413671695
O=C(CSc1nnc(C2=c3ccccc3=[NH+]C2)n1C[C@@H]1CCCO1)C1=CC[C@H](Cl)S1,C63809753_decoy,ITAL,Decoy,0,-10.2918,-7.62,-2.42,-8.7253873213083
CCOC(=O)c1c(NC(=O)CCSc2ccccc2)sc2c1CC[NH+](Cc1ccccc1)C2,C08793060_decoy,ITAL,Decoy,0,-8.37323,-7.58,-3.68,-7.809098029389677
CCOc1cc(Br)cc(/C=N/c2sc3c(c2C(=O)OC(C)(C)C)CC[NH+](C)C3)c1O,C02240801_decoy,ITAL,Decoy,0,-9.24832,-7.39,-1.87,-10.044680274349464
CCOc1cccc(C[NH+]2CCC(C(=O)N(CCc3ccccc3)Cc3ccccc3)CC2)c1O,C09144692_decoy,ITAL,Decoy,0,-9.17479,-9.85,-1.71,-10.683826822931437
CCc1cccc(C)c1NC(=O)[C@H]1CCC[NH+](Cc2cnn(-c3ccccc3)c2-n2cccc2)C1,C02960559_decoy,ITAL,Decoy,0,-8.56564,-7.77,-1.8,-7.599860557281443
C[C@H](c1nnc(SCC(=O)Nc2ccc(F)cc2Cl)n1-c1ccc(Cl)cc1)[NH+](C)C,C03379326_decoy,ITAL,Decoy,0,-8.85664,-8.03,-3.45,-8.563522544706688
COc1ccc(N2CC[NH+]([C@H](c3cccs3)[C@H](C)NS(=O)(=O)c3ccc(F)cc3)CC2)cc1,C09382679_decoy,ITAL,Decoy,0,-8.27984,-7.12,-1.92,-7.152865285563569
CCOC(=O)C1CC[NH+]([C@@H](c2cccc(OC)c2)c2c(NC(C)=O)sc3c2CCCC3)CC1,C09594125_decoy,ITAL,Decoy,0,-8.36347,-7.89,,99.0
CCn1c(C[NH2+][C@H](c2ccc(F)cc2)c2cccs2)nc2cc(S(=O)(=O)N(C)C)ccc21,C09201132_decoy,ITAL,Decoy,0,-8.33905,-7.48,-2.21,-8.935258169971997
O=C1N[C@@](c2ccccn2)(C2CC[NH+](CCc3ccccc3)CC2)C(=O)N1CCc1cccs1,C11910376_decoy,ITAL,Decoy,0,-8.50587,-7.98,-2.02,-7.569713290391892
Cc1ccc2c(c1)C[NH+](CC(=O)NCc1cnn(Cc3ccccc3)c1)C[C@H](c1ccsc1)O2,C12166695_decoy,ITAL,Decoy,0,-10.2243,-4.89,-3.75,-6.426338007186823
COc1ccccc1C[NH+]1CCC([C@@]2(CC(C)C)NC(=O)N(CCc3cccs3)C2=O)CC1,C12213698_decoy,ITAL,Decoy,0,-9.45523,-7.26,-1.59,-10.041353901951526
C[NH+](CC(=O)Nc1ccc(F)cc1)Cn1nc(-c2ccc(F)cc2)n(Cc2ccccc2)c1=S,C13070067_decoy,ITAL,Decoy,0,-8.68997,-9.32,-4.35,-9.404330498584311
Cc1cc(C)c(S(=O)(=O)NC[C@H](c2cccnc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c(C)c1,C06348580_decoy,ITAL,Decoy,0,-8.81843,-8.72,-3.98,-8.491724530750876
Cc1ccc(S(=O)(=O)CCC(=O)Nc2ccc(N3CC[NH+](Cc4ccccc4)CC3)cc2)cc1,C09209027_decoy,ITAL,Decoy,0,-7.54137,-7.46,-3.19,-7.420848624697744
CC(=O)Nc1ccc(C[NH+]2CCC([C@@H](Cc3ccccc3F)N(C)C(=O)c3ccsc3)CC2)cc1,C14996314_decoy,ITAL,Decoy,0,-10.0558,-8.59,-3.69,-11.568917857592096
Cn1cc(CC[NH2+][C@@H]2CCc3c(sc4ncn(CCc5cccc(Cl)c5)c(=O)c34)C2)cn1,C14999324_decoy,ITAL,Decoy,0,-8.76991,-7.12,-2.91,-6.70366589645039
Cc1noc(C)c1COc1ccc(CC(=O)NC[C@H](c2ccccc2Cl)[NH+]2CCCC2)cc1,C15787729_decoy,ITAL,Decoy,0,-7.81871,-7.94,,99.0
COc1ccc(-c2cc(C(=O)NCCC[NH+]3CCCC[C@H]3C)c(C)n2-c2cccc(OC)c2)cc1,C16532076_decoy,ITAL,Decoy,0,-8.90756,-7.49,-4.6,-7.955011865116204
O=c1c2c3c(sc2ncn1CCc1ccc(F)cc1)C[C@@H]([NH2+]CCCN1CCOCC1)CC3,C20204723_decoy,ITAL,Decoy,0,-7.07944,-6.55,-2.03,-4.729361939605576
O=c1c2c3c(sc2ncn1CCc1ccc(F)cc1)C[C@H]([NH2+]CCCN1CCOCC1)CC3,C20204725_decoy,ITAL,Decoy,0,-8.04781,-6.61,-1.64,-7.171744758872635
COc1ccc(-c2cc3nc(C[NH+](Cc4cccs4)C[C@@H]4CCCO4)[nH]c(=O)c3s2)cc1,C22011456_decoy,ITAL,Decoy,0,-9.79172,-7.53,-1.88,-10.982126203200629
CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O,C22364776_decoy,ITAL,Decoy,0,-8.00321,-7.45,-3.4,-9.453082389127706
CC[C@H](C)c1ccccc1NC(=O)[C@H](C)Sc1nnc(C[NH+]2CCCCC2)n1-c1ccccc1,C22673209_decoy,ITAL,Decoy,0,-8.66627,-8.71,-1.83,-8.52312163359372
Cc1nn(C)cc1CN(C)[C@H](Cc1ccccc1)C1CC[NH+](Cc2c[nH]nc2-c2ccccc2)CC1,C23129126_decoy,ITAL,Decoy,0,-8.9391,-8.4,-3.87,-9.900519489221926
CCc1ccc([C@@H](C)NC(=O)CSc2nnc([C@H](C)[NH+](C)C)n2-c2ccc(Cl)cc2)cc1,C24719456_decoy,ITAL,Decoy,0,-8.37581,-7.69,-3.16,-7.776157049837878
C[C@H](c1nnc(SC[C@H](O)COc2ccc(F)cc2)n1-c1ccc(F)cc1)[NH+]1CCCCC1,C24837760_decoy,ITAL,Decoy,0,-9.10806,-7.83,-2.75,-7.800742741256655
CC[NH+](CC)Cc1ccc(CNC(=O)Cn2cnc3scc(-c4ccc(F)cc4)c3c2=O)cc1,C24926171_decoy,ITAL,Decoy,0,-6.87791,-7.18,,99.0
C=C[C@]1(C)C[C@@H](OC(=O)CSCC[NH+](CC)CC)[C@@]2(C)[C@H](C)CC[C@]3(CCC(=O)[C@H]32)[C@@H](C)[C@@H]1O,C25757051_decoy,ITAL,Decoy,0,-6.05289,-4.62,-2.05,-5.273877355878932
CN(C)S(=O)(=O)c1ccc(C(=O)NCc2ccccc2-c2ccc(C[NH+]3CCCC3)cc2)cc1,C26403337_decoy,ITAL,Decoy,0,-7.03024,-5.3,-2.3,-4.594037139515879
CC[NH+](CC)[C@@H](CNC(=O)c1cc(-c2ccc(Br)cc2)on1)c1ccc(OC)cc1,C28296102_decoy,ITAL,Decoy,0,-7.44121,-8.59,-2.02,-7.755972310234891
CCC[NH+](CC(=O)Nc1ccccc1C)CC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1,C31003041_decoy,ITAL,Decoy,0,-9.37708,-7.71,-1.99,-8.381635387059193
C[NH+](C)[C@@H](CNC(=O)CSc1nnc(-c2ccccc2)n1-c1ccccc1)c1cccc(F)c1,C29837704_decoy,ITAL,Decoy,0,-8.28082,-8.17,-4.24,-7.95227200504702
C[C@H](NC(=O)CSc1nnc([C@@H](C)[NH+](C)C)n1-c1ccc(F)cc1)c1ccc2c(c1)CCCC2,C32739563_decoy,ITAL,Decoy,0,-7.90885,-7.41,-2.12,-7.796297958709844
COc1cccc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCc3cccc(C)c3)CC2)c1OC,C34725826_decoy,ITAL,Decoy,0,-7.21592,-8.28,-3.35,-8.495137738395888
C=CC[NH+]1CCN(c2nc(SCC(=O)NCc3ccccc3)nc3sc4c(c23)CCC4)CC1,C34757931_decoy,ITAL,Decoy,0,-8.79204,-8.27,-2.33,-8.129990791583344
CCC[C@H](O)C[NH+](Cc1nn(-c2ccccc2)c2c1CN(Cc1ccc(F)cc1)CC2)CC1CC1,C35576255_decoy,ITAL,Decoy,0,-8.81065,-8.41,-1.8,-9.108200282964654
COc1cc(C[NH+]2CCC(c3nc(C)ccc3C(=O)NCc3ccccc3C)CC2)cc(OC)c1,C35913271_decoy,ITAL,Decoy,0,-9.00473,-7.8,-3.25,-7.654224596394496
C=CCOC[C@@H](O)C[NH+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1,C36146761_decoy,ITAL,Decoy,0,-9.8682,-7.49,-3.22,-8.672756209951277
C=C[C@@](C)(O)C[NH+](CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)CC1CC1,C36310293_decoy,ITAL,Decoy,0,-9.15904,-8.35,-2.68,-8.815400417270851
CN1CCCc2cc([C@H](CNS(=O)(=O)c3ccc(OC(F)(F)F)cc3)[NH+]3CCCC3)ccc21,C38670667_decoy,ITAL,Decoy,0,-7.4706,-8.35,-2.22,-7.473094410857005
CCCCOc1cccc(C(=O)NCC[NH+]2CCN(c3nc4c(F)cc(F)cc4s3)CC2)c1,C38775895_decoy,ITAL,Decoy,0,-9.68717,-7.45,,99.0
COC(=O)[C@@H]1CC2=C3CC=CC=C3N=C2[C@H]2C[C@@H]([NH2+]C3CC3)C[C@@H](c3ccc(OC(F)(F)F)cc3)N21,C39560789_decoy,ITAL,Decoy,0,-8.05907,-5.76,-2.84,-6.164621158782365
CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(O)cc1,C40008583_decoy,ITAL,Decoy,0,-9.52755,-7.2,-1.42,-8.277217979764355
CCOc1ccc(CNC(=O)C2CC[NH+](Cc3ccc(Br)cc3)CC2)cc1OCC,C44883023_decoy,ITAL,Decoy,0,-7.48827,-7.39,-1.77,-7.016563529336213
O[C@H](COCc1ccccc1)C[NH+]1CCC(C2=NC(c3ccc(F)cc3)=C(c3ccncc3)C2)CC1,C52627137_decoy,ITAL,Decoy,0,-8.9402,-5.24,-2.6,-6.329995242265362
COc1ccccc1[C@@H](CNC(=O)CCc1nc2ccccc2n1-c1ccccc1)[NH+]1CCCC1,C60390738_decoy,ITAL,Decoy,0,-8.8977,-9.11,-4.31,-8.18303623333453
CCC(=O)N(C1CC1)[C@@H]1NN=C(SCC(=O)C2=c3ccccc3=[NH+][C@H]2c2ccc(F)cc2)S1,C39939977_decoy,ITAL,Decoy,0,-9.61528,-8.96,-2.07,-12.235473613682457
COc1cccc([C@@H](CNS(=O)(=O)c2ccc(F)c(F)c2)C2=c3ccccc3=[NH+]C2)c1OC,C63228857_decoy,ITAL,Decoy,0,-9.502,-8.93,-4.03,-10.143349622021915
C=CCOc1c(Br)cc(/C=C(\C#N)C(=O)NCCC2=c3ccccc3=[NH+]C2)cc1OC,C63318932_decoy,ITAL,Decoy,0,-8.27887,-7.95,-2.55,-7.5049219141528605
Cc1cc(C)c(C#N)c(SCC(=O)NCCC2=c3cc(OC(F)(F)Cl)ccc3=[NH+][C@H]2C)n1,C63515597_decoy,ITAL,Decoy,0,-9.30745,-8.51,-3.98,-11.155308577578596
CC[NH+](CC)CCNC(=O)C(Cl)=C1C(Cl)=C(Cl)C(Cl)=C1Cl,C01683530_decoy,ITAL,Decoy,0,-8.05751,-5.98,-0.96,-9.29628126403754
Cc1ccc([C@]2(CC[NH2+]Cc3ccccc3F)CCO[C@H](C(C)C)C2)cc1,C02217989_decoy,ITAL,Decoy,0,-8.23109,-8.48,-4.11,-9.254411711580785
CCOc1ccc(Br)cc1C[NH2+][C@H](C)C12CC3CC(CC(C3)C1)C2,C08324594_decoy,ITAL,Decoy,0,-8.61295,-7.8,-2.88,-8.999193610500509
CCOc1c(Br)cc(C[NH2+][C@@H](C)CC)cc1Br,C10474929_decoy,ITAL,Decoy,0,-7.17173,-5.79,-1.05,-7.635223819775355
C[C@@H]1c2ccsc2CC[NH+]1C[C@@H](O)COc1ccc(-c2ccccc2)cc1,C12553049_decoy,ITAL,Decoy,0,-7.22722,-5.31,-2.67,-5.023599083342329
c1ccc(C[NH+]2CC[C@H](NCc3cccs3)[C@H](c3ccccc3)C2)cc1,C34086981_decoy,ITAL,Decoy,0,-8.86118,-7.62,-1.61,-8.457540356426911
CCC[NH2+][C@@H](C)c1ccc(Oc2cccc(I)c2)cc1,C34845317_decoy,ITAL,Decoy,0,-7.40559,-7.09,-1.18,-8.626347780226343
CCOc1c(Br)cc(C[NH2+][C@H]2CCCC[C@H]2C)cc1Br,C34991737_decoy,ITAL,Decoy,0,-6.03633,-6.56,,99.0
CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC[C@H](C)C1,C35253217_decoy,ITAL,Decoy,0,-8.37396,-7.17,-0.9,-9.38616065715876
C[NH2+][C@@H](Cc1ccc(OC)cc1)c1cc(Br)sc1Br,C35503218_decoy,ITAL,Decoy,0,-8.71452,-6.6,-1.59,-9.084687132770618
CC[NH2+][C@@H](c1ccc(OC)c(Br)c1)c1ccc(F)cc1Cl,C35508443_decoy,ITAL,Decoy,0,-8.2951,-6.03,-1.88,-7.66776450989534
CC[NH2+][C@@H](c1ccccc1I)c1cc(OC)ccc1OC,C35541449_decoy,ITAL,Decoy,0,-7.63195,-7.43,-1.81,-10.44448652451104
CC[NH2+][C@H](c1cc(Br)ccc1Br)c1ccccc1OCC,C35541861_decoy,ITAL,Decoy,0,-8.46949,-6.91,-1.5,-8.810840853434577
CC[NH2+][C@H](c1ccc(OC)c(F)c1)c1ccccc1I,C35572207_decoy,ITAL,Decoy,0,-7.99438,-8.59,-3.31,-8.459040604636284
CCC[NH2+][C@H](c1ccc(OCC)cc1)c1ccccc1I,C35577610_decoy,ITAL,Decoy,0,-8.5739,-8.15,-2.64,-15.432172449576443
CCC[NH2+][C@H](c1cncc(Br)c1)c1cc(Cl)sc1Cl,C35585368_decoy,ITAL,Decoy,0,-9.75587,-7.25,-0.76,-10.595393253544872
CCC[NH2+][C@@H](c1cc(C)oc1C)c1cc(Br)sc1Br,C35585707_decoy,ITAL,Decoy,0,-8.50863,-7.74,-0.81,-9.528552805066948
CCC[NH2+][C@H](c1ccc(OC)cc1)c1cc(Br)sc1Br,C35586073_decoy,ITAL,Decoy,0,-9.25608,-6.72,-1.56,-9.510702093971098
Cc1ccc(C[NH+](Cc2ccc(F)cc2)C[C@H](O)Cc2ccccc2)s1,C36101542_decoy,ITAL,Decoy,0,-9.09594,-8.69,-2.55,-8.911500738855752
CCC(CC)[NH2+]Cc1cc(Br)c(OC)c(Br)c1,C36325017_decoy,ITAL,Decoy,0,-6.71335,-5.03,-0.95,-6.307553630063907
CC[C@@H]1CCCC[C@@H]1[NH2+]Cc1cc(Br)c(OC)c(Br)c1,C36325234_decoy,ITAL,Decoy,0,-7.66503,-5.79,-1.18,-6.713537164245472
CC[C@H]1CCCC[C@H]1[NH2+]Cc1cc(Br)c(OC)c(Br)c1,C36325240_decoy,ITAL,Decoy,0,-7.72892,-5.84,-1.21,-6.644351174238833
CC[NH2+][C@@H](c1cccc(I)c1)c1ccc(OC)cc1F,C36767087_decoy,ITAL,Decoy,0,-8.26064,-7.37,-1.84,-7.71142799822747
CCC[NH2+][C@@H](c1ccccc1I)c1cc(C)ccc1OC,C36823592_decoy,ITAL,Decoy,0,-7.65194,-7.68,-1.42,-9.215396997667014
CCC[NH2+][C@H](c1ccccc1I)c1cc(C)ccc1OC,C36823594_decoy,ITAL,Decoy,0,-7.78522,-7.25,-1.62,-8.700334467636301
C[C@H](NCCC[NH+](C)Cc1ccccc1)c1sccc1Br,C37200250_decoy,ITAL,Decoy,0,-7.56192,-6.14,-3.85,-7.720938337620557
C[C@@H](CCc1ccco1)[NH2+][C@H](C)c1ccc(I)cc1,C37232863_decoy,ITAL,Decoy,0,-7.76161,-6.79,-1.94,-11.449447794614326
C[C@H](NC[C@H](c1cccs1)[NH+](C)C)c1ccc(I)cc1,C37234525_decoy,ITAL,Decoy,0,-7.4357,-6.66,-2.83,-7.3586046128663005
CCOc1ccc([C@H](C)[NH2+]Cc2ccc(I)o2)cc1,C37314173_decoy,ITAL,Decoy,0,-7.36924,-6.79,-1.58,-8.925279774837291
CC[NH2+][C@H](Cc1ccc(OC)cc1)c1ccc(I)cc1,C38133472_decoy,ITAL,Decoy,0,-8.30703,-7.44,-2.26,-8.860885629823802
OCCC[NH+](CC#Cc1ccccc1)C[C@@H]1CC1(c1ccccc1)c1ccccc1,C38736405_decoy,ITAL,Decoy,0,-9.90294,-8.32,-2.57,-9.391725817890178
CCC[C@]12CCN3C[C@](CCC)(C[NH+](C1)[C@@H]3c1cccc3ccccc13)[C@@H]2O,C39951353_decoy,ITAL,Decoy,0,-9.10016,-10.41,-1.64,-12.284333942970711
COc1ccc([C@H](C)[NH2+][C@@H](C)c2ccc(Br)s2)cc1OC,C40491027_decoy,ITAL,Decoy,0,-8.53957,-6.51,-2.63,-7.837719850036037
COc1ccc([C@@H](C)[NH2+][C@H](C)c2ccc(Br)s2)cc1OC,C40491030_decoy,ITAL,Decoy,0,-5.35752,-6.7,-1.45,-4.220818854675486
CCC(C)(C)[NH2+]Cc1cc(Br)cc(Br)c1OC(C)C,C40730093_decoy,ITAL,Decoy,0,-8.03814,-7.13,-1.21,-7.905268406688403
CCC[NH2+][C@H](C)c1sc(-c2cc(Br)ccc2OC)nc1C,C40995773_decoy,ITAL,Decoy,0,-7.72175,-6.72,-1.28,-9.11738166618243
CC(C)N(CC[NH2+][C@@H](C)c1ccc(Br)cc1Br)C(C)C,C41640705_decoy,ITAL,Decoy,0,-8.29164,-6.02,-0.86,-10.139608093844492
CC[C@H]([NH2+]Cc1cc(Br)c(OC)c(Br)c1)c1cccs1,C48417169_decoy,ITAL,Decoy,0,-8.04602,-5.63,-0.82,-6.592056535483381
CCC[C@@H]([NH2+][C@@H](C)c1ccc(OC)c(Br)c1)c1cccs1,C49541631_decoy,ITAL,Decoy,0,-7.94146,-6.83,-1.06,-10.623910697831828
CC(C)[C@H]([NH2+]Cc1cc(Br)c(Br)o1)c1cccs1,C50360134_decoy,ITAL,Decoy,0,-8.05388,-6.28,-1.03,-13.759094642120733
Ic1cccc(O[C@H](C[NH2+]C2CC2)c2ccccc2)c1,C52696744_decoy,ITAL,Decoy,0,-8.33773,-4.07,-1.27,-4.836918910533871
CC(C)(C)[NH2+]CCCCOc1c(Br)cccc1Br,C53568158_decoy,ITAL,Decoy,0,-6.77147,-6.3,-1.35,-8.887508860737224
C[C@H]([NH2+]CCOc1c(Br)cccc1Br)C1CC1,C53568194_decoy,ITAL,Decoy,0,-7.82419,-6.07,-1.04,-8.095608685632198
CC[C@@H](C)C[NH2+]Cc1cc(Br)c(OC)c(Br)c1,C54468337_decoy,ITAL,Decoy,0,-8.25769,-5.22,-0.8,-6.949846162370183
CCC[NH2+][C@@H]1CCCc2nc(Cc3ccccc3Br)sc21,C55335776_decoy,ITAL,Decoy,0,-7.72583,-7.38,-1.6,-8.866993592517916
CC[NH+](CC)CCCN[C@H](C)c1ccc(Br)cc1Br,C41641038_decoy,ITAL,Decoy,0,-7.57486,-6.01,-1.7,-8.61166032159381
CC(C)C[C@H](CN(C)C)[NH2+][C@H](C)c1ccc(Br)cc1Br,C41650685_decoy,ITAL,Decoy,0,-8.52938,-6.56,-1.36,-8.849891816985009
COc1c(Br)cc(C[NH2+][C@@H](C)c2ccsc2)cc1Br,C61361509_decoy,ITAL,Decoy,0,-6.93229,-5.83,-1.82,-4.634190465747173
C[NH+](Cc1cc(Br)cs1)CC(C)(C)[C@H](O)c1ccccc1,C63019797_decoy,ITAL,Decoy,0,-8.27276,-7.67,-2.2,-8.472082209123739
COc1ccc2ccccc2c1C[NH2+]Cc1csc(-c2ccsc2)n1,C67185580_decoy,ITAL,Decoy,0,-9.5384,-8.53,-1.65,-8.36325942986787
COC(=O)c1sccc1Oc1ccc(C(F)(F)F)cc1NC(=O)c1cnc(Cl)nc1C(F)(F)F,C02383382_decoy,ITAL,Decoy,0,-9.21573,-9.19,-2.1,-9.691057835887545
O=S(=O)(c1ccc(F)cc1F)N(Cc1ccccc1)C[C@@H](O)COC(c1ccccc1)c1ccccc1,C03231014_decoy,ITAL,Decoy,0,-10.0718,-6.15,-4.45,-7.439869900188415
[H]/N=C1C(=C/c2ccc(OCCOc3cc(C)cc(CC)c3)cc2)/C(=O)N=C2SC(c3ccc(C)cc3)=NN2/1,C08493687_decoy,ITAL,Decoy,0,-7.58764,-6.26,-3.72,-5.354311664041771
COc1ccc(NC(=O)C2(N(Cc3ccc(F)cc3)C(=O)CSc3nc(C)cc(C)n3)CCCCC2)cc1,C08713234_decoy,ITAL,Decoy,0,-8.63558,-8.21,-2.43,-8.467058282462304
COC(=O)[C@@H](NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@H]3CC[C@]12C)c1ccccc1,C08917904_decoy,ITAL,Decoy,0,-8.76362,-8.88,-3.76,-7.47463266432748
O=C(CCCn1c(SCC(=O)c2ccc(F)cc2)nc2c(sc3ccccc32)c1=O)NC1CCCC1,C09636714_decoy,ITAL,Decoy,0,-9.0851,-8.81,-1.97,-8.602742691337065
COCCOc1cc(N(CC(=O)Nc2ccc(F)cc2)S(=O)(=O)c2ccccc2)c(Cl)cc1Cl,C12951263_decoy,ITAL,Decoy,0,-9.40605,-7.07,-2.08,-8.479334468748426
O=C(CCC(=O)c1ccc(F)cc1)NCc1nnc(SCc2ccccc2Cl)n1Cc1ccccc1,C14993077_decoy,ITAL,Decoy,0,-9.38807,-8.49,-4.18,-8.667661820836084
Cc1ccc(-n2c(C)cc(/C=N\NC(=O)CN(Cc3ccccc3)S(=O)(=O)c3ccccc3)c2C)c(C)c1,C16285057_decoy,ITAL,Decoy,0,-9.53145,-9.57,-3.83,-8.95903155068278
COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(C)cc1C)C(=O)c1cccc(C(F)(F)F)c1,C16435912_decoy,ITAL,Decoy,0,-8.81617,-8.96,-2.67,-8.417816587122092
O=C1NC(=O)N(c2ccc(Br)cc2)C(=O)/C1=C\c1cn(CCCOc2ccccc2)c2ccccc12,C02303195_decoy,ITAL,Decoy,0,-8.61457,-8.07,-2.8,-7.170869591659315
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1C,C09067537_decoy,ITAL,Decoy,0,-9.10601,-8.28,-3.37,-8.51067523399832
CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(Cl)c1,C19892350_decoy,ITAL,Decoy,0,-8.86747,-7.6,-2.7,-8.721185891352807
COc1cc(OC)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1OC,C00717702_decoy,ITAL,Decoy,0,-10.2505,-3.87,-2.46,-5.819691900092418
COc1cc(OC)c([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1OC,C00717700_decoy,ITAL,Decoy,0,-8.50837,-4.06,-1.91,-6.177924666963979
CCC(C)(C)n1nnnc1[C@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N(Cc1ccccc1)Cc1cccs1,C19973202_decoy,ITAL,Decoy,0,-10.0891,-9.23,-4.28,-11.590757211335196
CCCCSCCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1[S@@+]2[O-],C20242607_decoy,ITAL,Decoy,0,-8.62315,-9.69,-4.09,-9.942517732033552
CC[NH+](CC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc3c(c2)C[C@H](C)O3)[C@@H]1c1cccc(Br)c1,C20291583_decoy,ITAL,Decoy,0,-7.9889,-7.74,-2.77,-8.937291839838238
CCN(CC)c1ccc(/C=C(\NC(=O)c2ccc(F)cc2)C(=O)N2C[C@@H]3C[C@H](C2)c2cccc(=O)n2C3)cc1,C20663100_decoy,ITAL,Decoy,0,-8.5021,-9.17,-2.48,-8.637899560247845
COc1ccc2c(c1)OC(C)(C)C[C@H]2NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1,C22320438_decoy,ITAL,Decoy,0,-9.025,-9.0,-4.45,-10.388573355896332
COc1ccc(C)cc1N(CC(=O)N[C@@H]1CC(C)(C)Oc2cc(C)ccc21)S(=O)(=O)c1ccc(C)cc1,C22324807_decoy,ITAL,Decoy,0,-8.50064,-7.97,-2.44,-7.625329775916311
CCOc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4cccc(C)c4C)S3)[C@H](c3ccccc3)C2)cc1,C28158937_decoy,ITAL,Decoy,0,-5.93579,-7.95,-3.37,-5.406902333750066
CCOc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(C)cc4)S3)[C@@H](c3ccc(C)cc3)C2)cc1,C28159055_decoy,ITAL,Decoy,0,-7.72698,-7.23,-2.5,-6.378076486815132
CCc1ccccc1NC(=O)N(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C[C@H]1CCCO1,C33715039_decoy,ITAL,Decoy,0,-9.50413,-8.29,-2.7,-8.81595500641336
CC[C@@H](c1nc2ccccc2c(=O)n1CCOC)N(CCC(C)C)C(=O)Nc1ccccc1Br,C35060080_decoy,ITAL,Decoy,0,-8.78001,-7.89,-2.5,-9.576547830115071
COCCCN(Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C(=S)Nc1ccc(F)cc1,C35758187_decoy,ITAL,Decoy,0,-10.6867,-8.89,-1.79,-10.599946625685174
COc1ccc(CCN(Cc2ccc(C)s2)C(=O)CN(C(=O)Nc2ccc(C)cc2C)C2CC2)cc1OC,C35804811_decoy,ITAL,Decoy,0,-8.37294,-7.79,-3.55,-7.571207427207874
Cc1cccc(CS(=O)(=O)c2ncc(CN(C[C@@H]3CCCO3)C(=S)NC(C)C)n2C2CCCCC2)c1,C36032252_decoy,ITAL,Decoy,0,-10.3467,-7.04,-3.31,-8.615958191042088
CCOC(=O)C1=C(C)NC2=C(C(=O)[C@@H](C(=O)OCC)[C@H](c3ccccc3OC)C2)[C@@H]1c1cc(C)sc1C,C09993475_decoy,ITAL,Decoy,0,-9.97503,-8.86,-3.84,-12.514538871729084
COc1ccc(NC(=O)C2(N(Cc3ccc(F)cc3)C(=O)CSc3nc(C)cc(C)n3)CCCC2)cc1,C36057849_decoy,ITAL,Decoy,0,-8.59704,-8.34,-2.03,-9.672929409877284
COCCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)Nc1ccc(C)cc1,C36123643_decoy,ITAL,Decoy,0,-9.29385,-7.94,,99.0
CC(C)(C)CC(C)(C)NC(=O)[C@H](C(c1ccccc1)c1ccccc1)N(Cc1ccco1)C(=O)c1cccnc1,C36505706_decoy,ITAL,Decoy,0,-6.4215,-5.25,-2.17,-6.641817144174184
Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](c2ccc(Cl)cc2)N(Cc2ccc(C)o2)C(=O)CC(C)C)cc1,C36556253_decoy,ITAL,Decoy,0,-9.55756,-7.98,-3.29,-10.631498065403024
C/C=C\[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(CCC)C(=O)/C(=C\c1ccccc1)c1ccccc1,C36559776_decoy,ITAL,Decoy,0,-8.80863,-6.27,-2.44,-7.989905771104722
COc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)N2CCN(c3ccc(F)cc3)CC2)c(C)c1,C38666216_decoy,ITAL,Decoy,0,-8.85234,-7.21,-2.83,-8.512978377781097
CCOc1ccc(CCNC(=O)CSC2=NC(=O)C3=C(c4ccccc4)[C@@H](C)SC3=N2)cc1OCC,C38789651_decoy,ITAL,Decoy,0,-8.17254,-6.9,-3.45,-8.048057605238798
Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3ccc([N-]S(=O)(=O)c4ccccc4)cc3)sc2cc1C,C36698988_decoy,ITAL,Decoy,0,-7.80238,-7.69,-2.6,-6.927218529570067
CCN(CC)c1ccc(/C=N/Nc2nc(-c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)cs2)cc1,C33960195_decoy,ITAL,Decoy,0,-8.61657,-7.19,-2.75,-7.194848759533713
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(Br)cc1,C39827960_decoy,ITAL,Decoy,0,-8.23423,-7.17,-3.46,-7.544790797520776
CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2NCCc2ccccc2)SC1=S,C39851460_decoy,ITAL,Decoy,0,-8.87111,-7.55,-3.1,-8.620037064586173
COc1ccc([C@H]2C(C(=O)c3sc(Sc4ccc(C)cc4)nc3C)=C([O-])C(=O)N2CC[NH+](C)C)cc1,C39991652_decoy,ITAL,Decoy,0,-8.31673,-6.68,-3.85,-6.752423328047875
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccccc2)SC1=S,C40066429_decoy,ITAL,Decoy,0,-9.11495,-6.69,-3.64,-7.769924750705351
CCCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O,C40067007_decoy,ITAL,Decoy,0,-9.41452,-7.51,-3.48,-9.586781479257755
COc1ccc(C(=O)N[C@H](C)c2nc3ccccc3n2CC(=O)N(Cc2ccccc2)C2CCCCC2)cc1,C40282729_decoy,ITAL,Decoy,0,-8.02208,-9.68,-3.14,-9.91141011631672
Cc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(Cc3ccco3)C(=O)c3ccc(F)cc3)n2)cc1,C40400558_decoy,ITAL,Decoy,0,-6.62284,-7.13,-4.78,-6.420086823205366
CCCSc1nc2n(n1)[C@H](c1ccc(OCc3ccc(Cl)cc3)c(OCC)c1)C1=C(CCCC1=O)N2,C40981217_decoy,ITAL,Decoy,0,-8.58545,-5.58,,99.0
CCOC(=O)COc1ccccc1/C=N/NC(=O)COc1c(Br)cc(C)cc1Br,C00822492_decoy,ITAL,Decoy,0,-8.93361,-7.65,-2.15,-9.84515635174052
O=C(CSc1nnc(-c2ccncc2)n1-c1ccc(Br)cc1)Nc1ccc(Oc2ccccc2)cc1,C01899177_decoy,ITAL,Decoy,0,-9.08582,-9.15,-3.56,-8.343104923054389
CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O,C57641593_decoy,ITAL,Decoy,0,-9.31706,-9.61,-1.27,-9.599012413641912
CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,C57642401_decoy,ITAL,Decoy,0,-8.20763,-10.49,-3.76,-9.18250555187702
C[C@H](C(=O)N(C)CC[NH+](C)C)[C@H]1CC[C@@]2(C)Cc3sc(CSc4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840660_decoy,ITAL,Decoy,0,-9.3435,-7.22,-3.37,-9.992940323587252
CCN(CC)c1ccc([C@H]2Nc3ccc(Br)cc3[C@H](c3ccccc3)[NH+]2CC(=O)OC)cc1,C08836141_decoy,ITAL,Decoy,0,-8.65555,-4.61,-0.83,-5.440202460163024
Cc1ccc(S(=O)(=O)Nc2cccc(C(=O)N(CCC[NH+](C)C)c3nc4ccccc4s3)c2)cc1,C09292526_decoy,ITAL,Decoy,0,-8.70211,-7.94,-2.61,-9.238481241485465
CC[NH+](CC)CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1nc2c(F)cccc2s1,C09505584_decoy,ITAL,Decoy,0,-9.09249,-7.95,-3.03,-9.627066257136182
CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(Cl)cccc3s2)cc1,C10068038_decoy,ITAL,Decoy,0,-7.90006,-7.5,-2.19,-9.073113044058363
C[NH+](C)CCCN(C(=O)[C@@H]1CCCCN1S(=O)(=O)c1cccs1)c1nc2ccc(F)cc2s1,C10775250_decoy,ITAL,Decoy,0,-9.93735,-7.48,-3.05,-9.462811264451894
Cc1c(Cl)ccc2sc(N(CCC[NH+](C)C)C(=O)Cc3ccc(S(=O)(=O)C(C)C)cc3)nc12,C12070803_decoy,ITAL,Decoy,0,-8.85124,-7.52,-3.33,-9.309282413473303
CC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+](Cc1cccs1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,C13065110_decoy,ITAL,Decoy,0,-9.65737,-9.3,-3.58,-10.68857708407186
CC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+](Cc1ccc(C)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,C13065264_decoy,ITAL,Decoy,0,-9.60963,-9.81,-3.14,-9.340191190632504
Cc1ccc2cc([C@@H](c3nnnn3C(C)(C)C)[NH+](Cc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1,C06409793_decoy,ITAL,Decoy,0,-9.00822,-8.48,-3.46,-8.942324781715675
CC[NH+](CC)CCN1C(=O)C(=O)/C(=C(/O)c2c(C)nc3ccccn23)[C@H]1c1ccc(Br)cc1,C08837683_decoy,ITAL,Decoy,0,-9.30407,-4.58,-2.28,-5.939706717389353
Cc1ccc(C(C)C)c(OC[C@H](O)CN2CC[NH+](CCN3C(=O)c4cccc5cccc(c45)C3=O)CC2)c1,C19901366_decoy,ITAL,Decoy,0,-9.04499,-9.78,-2.1,-8.381493186517636
CCOc1nc2sc3c(c2c(=O)n1CC[NH+]1CCN(C(=O)c2ccc(OC(C)C)cc2)CC1)CCCC3,C28558415_decoy,ITAL,Decoy,0,-8.30501,-5.86,-3.24,-6.651837452271647
C[C@H]1CCCC[NH+]1CCCNC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2ccccc2F)n1,C33540939_decoy,ITAL,Decoy,0,-10.1861,-7.02,-2.54,-9.814410502812049
CN(C1=[NH+]C(=S)N(CC#N)C12CCCC2)[C@H](CC(C)(C)C)[C@@H](Oc1ccc(Cl)cc1)n1cncn1,C33633394_decoy,ITAL,Decoy,0,-10.818,-8.11,-4.07,-13.798702779745646
Cc1sc2nc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)n(CCCc3ccccc3)c(=O)c2c1C,C34748718_decoy,ITAL,Decoy,0,-9.30778,-8.81,-1.82,-14.953382444966197
COc1cc(OC)cc(C(=O)N(Cc2c(C)nn(-c3cccc(F)c3)c2N2CC[NH+](C(C)C)CC2)C(C)C)c1,C34835712_decoy,ITAL,Decoy,0,-8.33356,-8.08,-3.77,-7.890161627788419
COc1ccc(-n2c([C@@H](C)N(CC[NH+](C)C)S(=O)(=O)c3ccc(C)cc3)nc3ccccc3c2=O)cc1,C35041433_decoy,ITAL,Decoy,0,-7.93807,-6.7,-3.26,-8.44933043071489
CCOc1ccccc1-n1c([C@H](C)N(CC[NH+](C)C)C(=O)COc2ccccc2)nc2ccccc2c1=O,C35093668_decoy,ITAL,Decoy,0,-7.36208,-7.18,-3.53,-8.86367810669696
CCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1OCC,C35486675_decoy,ITAL,Decoy,0,-8.78775,-4.53,-1.59,-6.154050893484158
C=CCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1OC,C35486682_decoy,ITAL,Decoy,0,-7.97636,-4.2,-2.66,-5.068732282727406
Cc1cccc(Nc2scc(-c3cccc([N+](=O)[O-])c3)[n+]2/N=C2\C(=O)N(CC(C)C)c3ccccc32)c1C,C35540644_decoy,ITAL,Decoy,0,-8.03945,-5.4,,99.0
Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC[NH+]1CCCC1)C(=O)Cc1cccs1,C35774007_decoy,ITAL,Decoy,0,-10.4332,-7.93,-3.71,-10.765032340992926
CCOC(=O)[C@@H]1CCCC[NH+]1CC(=O)N1N=C(c2ccc(C)cc2C)C[C@H]1c1cc(OC)ccc1OC,C35785499_decoy,ITAL,Decoy,0,-7.79953,-7.12,-3.09,-7.524516174633047
COc1cccc(C[NH+](Cc2ccco2)Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)c1,C36203312_decoy,ITAL,Decoy,0,-9.18573,-8.39,-2.39,-10.272316181810288
COc1cc(C[NH+](Cc2ccc(C(O)(c3cccc(F)c3)c3cccc(F)c3)o2)C(C)C)cc(OC)c1,C36203694_decoy,ITAL,Decoy,0,-9.36457,-8.73,-3.96,-11.452348888895443
CCOC(=O)[C@@H]1CCCC[NH+]1CC(=O)N1N=C(c2cc(C)ccc2C)C[C@H]1c1ccc(OC)cc1OC,C36342648_decoy,ITAL,Decoy,0,-7.32942,-7.77,-4.0,-7.359109682071409
CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(OC)ccc(C)c3s2)cc1,C36637677_decoy,ITAL,Decoy,0,-9.18769,-5.48,-2.95,-7.295132919363933
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)O[C@@H](C)C4)cc3)nc2c1C,C17122314_decoy,ITAL,Decoy,0,-8.13256,-8.17,-2.59,-7.921969269670795
CC(C)COc1ccc(S(=O)(=O)N[C@H](C)[C@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1,C38596441_decoy,ITAL,Decoy,0,-10.9566,-7.12,-4.43,-9.30995031537358
CC[NH+](CC)CCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cc(OC)c(OC)c(OC)c1,C38714871_decoy,ITAL,Decoy,0,-7.77715,-6.56,-1.49,-12.468284484550196
COc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@H](C)C4)cc3)sc2c1,C36643226_decoy,ITAL,Decoy,0,-7.82656,-7.57,,99.0
CC[NH+](CC)CCN(C(=O)Cc1ccc(S(=O)(=O)C(C)C)cc1)c1nc2c(OC)ccc(C)c2s1,C36652701_decoy,ITAL,Decoy,0,-8.34404,-7.48,-1.65,-9.762164297441204
CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)nc12,C36660293_decoy,ITAL,Decoy,0,-8.04117,-7.48,-3.43,-8.288514787507472
Cc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(CCC[NH+](C)C)c2nc3c(C)cc(C)cc3s2)cc1,C36660308_decoy,ITAL,Decoy,0,-8.54085,-8.54,-2.77,-8.29883593375412
CCc1cccc2sc(N(CC[NH+](C)C)C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(OC)cc3)nc12,C36660413_decoy,ITAL,Decoy,0,-8.20417,-8.18,-2.61,-9.829511652384063
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(CC[NH+](C)C)c2nc3c(C)cc(C)cc3s2)cc1,C36660429_decoy,ITAL,Decoy,0,-8.78033,-7.37,-2.07,-9.301516295065143
COc1ccc2sc(N3CC[NH+](CCNC(=O)c4ccc(Br)s4)CC3)nc2c1OC,C38785944_decoy,ITAL,Decoy,0,-8.80529,-6.95,-3.4,-6.481312627906841
CC[NH+](CC)CCN(C(=O)C1CCN(S(=O)(=O)c2ccc(C)cc2)CC1)c1nc2ccc(C)cc2s1,C38847393_decoy,ITAL,Decoy,0,-8.63476,-8.52,-2.46,-7.545890274830143
CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N(C)C2CC2)cc1)c1nc2c(C)ccc(C)c2s1,C38850167_decoy,ITAL,Decoy,0,-9.17132,-5.49,-3.24,-8.09541653719991
O=C1[NH+]=c2cc3c(cc2=C[C@H]1CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)OCCO3,C39325108_decoy,ITAL,Decoy,0,-9.20175,-9.95,-2.2,-11.381160177142696
COc1ccc2nc(N(CCC[NH+](C)C)C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c1,C36648039_decoy,ITAL,Decoy,0,-9.29317,-6.88,-1.73,-8.30943523956879
CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)nc12,C36648067_decoy,ITAL,Decoy,0,-8.93698,-8.09,-2.53,-8.416977901458779
C=CCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](CC)CC)cc1,C40008613_decoy,ITAL,Decoy,0,-8.14939,-6.5,-1.81,-13.530831037457
CCOc1cc([C@@H]2c3c(oc4cc(OC)ccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccccc1,C40561497_decoy,ITAL,Decoy,0,-8.19578,-6.86,,99.0
COc1ccc(C)cc1N(CC(=O)NCc1ccc(C[NH+]2CCCC2)cc1)S(=O)(=O)c1ccccc1,C44857249_decoy,ITAL,Decoy,0,-8.58306,-8.03,-1.32,-10.208120059362043
COc1cc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCC4=CCCCC4)CC(=O)N23)cc(OC)c1OC,C63138501_decoy,ITAL,Decoy,0,-7.93706,-6.07,-2.47,-6.064229711847651
Cc1cccc(S(=O)(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)O[C@H](C)C(=O)c2ccc(F)cc2)c1,C63187686_decoy,ITAL,Decoy,0,-9.36931,-8.75,-2.9,-11.009751953027394
COc1ccc2c(c1)=C(CCN(C(=O)c1ccccc1F)C1(C(=O)Nc3ccccc3C)CCCC1)[C@@H](C)[NH+]=2,C63513915_decoy,ITAL,Decoy,0,-8.0066,-7.59,-3.03,-7.844682393359432
CCOc1ccc(NC(=O)CSC2=NC3(CC[NH+](C)CC3)N=C2c2ccc(Br)cc2)cc1,C45912811_decoy,ITAL,Decoy,0,-9.23964,-6.95,-1.65,-9.448762735223958
CCOc1ccc(Br)cc1/C=c1/s/c(=C(\C#N)C(=O)Nc2ccc(OC)cc2)n(-c2ccccc2)c1=O,C01765262_decoy,ITAL,Decoy,0,-9.69886,-4.82,-2.52,-6.065452822438032
COc1cccc(CN(Cc2ccccc2)S(=O)(=O)c2ccc(S(=O)(=O)NC3CCCCC3)cc2)c1,C00933324_decoy,ITAL,Decoy,0,-9.42626,-9.36,-3.22,-10.912305101932295
CC[C@@H]1SC(N/N=C/c2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)=NC1=O,C06271794_decoy,ITAL,Decoy,0,-9.15966,-7.65,-2.16,-7.456356094283702
COc1ccc(NC(=O)C2(N(Cc3ccccc3F)C(=O)CSc3nc(C)cc(C)n3)CCCC2)cc1,C08713512_decoy,ITAL,Decoy,0,-8.59079,-8.48,-2.91,-8.802426440022822
CCOc1ccc(CCNC(=O)Cn2cnc3scc(-c4ccc5c(c4)CCCC5)c3c2=O)cc1OCC,C09004846_decoy,ITAL,Decoy,0,-8.18789,-7.92,-2.88,-7.267256878665567
CCOC(=O)CSc1nnc(CNC(=O)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(C(F)(F)F)cc1,C09390891_decoy,ITAL,Decoy,0,-9.14858,-7.84,-3.67,-9.248981893675852
CCSCCOC(=O)C1C(C)=NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(Br)c(O)c(OC)c1,C09434790_decoy,ITAL,Decoy,0,-10.4271,-7.18,-2.24,-8.901495778692759
CCOc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccc(C)cc4)C[C@@H]3c3ccc(C)cc3)=NC2=O)cc1,C09597270_decoy,ITAL,Decoy,0,-9.14252,-7.28,-1.87,-7.867089271536192
COCCCN(Cc1cc2ccc(OC)cc2nc1-c1ccccc1C)C(=O)c1cc2c([nH]c1=O)CCCC2,C12247275_decoy,ITAL,Decoy,0,-9.70527,-8.49,-2.06,-9.091080514730958
CCN(CC)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2Cc2ccco2)CCCC4)cc1,C02234411_decoy,ITAL,Decoy,0,-10.1151,-5.81,-2.89,-8.236287664368014
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)N(Cc1ccccc1)Cc1cccs1,C19973171_decoy,ITAL,Decoy,0,-9.43096,-9.56,,99.0
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3cccs3)cc2c1,C20082486_decoy,ITAL,Decoy,0,-10.0341,-8.96,-4.82,-10.437264639822562
Cc1ccc2cc([C@H](c3nnnn3C3CCCC3)N(Cc3ccccc3)Cc3ccc(F)cc3)c(=O)[nH]c2c1,C20082660_decoy,ITAL,Decoy,0,-9.54558,-10.64,-3.3,-9.808146268358843
CC[C@H](NC(=O)CN(c1cc(C)cc(C)c1)S(=O)(=O)c1ccc(OC)c(OC)c1)c1ccc(C)c(C)c1,C22344548_decoy,ITAL,Decoy,0,-8.49145,-8.33,-3.49,-8.954018395759817
CC[C@H](NC(=O)CN(c1ccc(C)cc1)S(=O)(=O)c1ccc(SC)cc1)c1ccc(OC)c(OC)c1,C22345337_decoy,ITAL,Decoy,0,-8.77895,-7.27,-4.43,-8.227261413879358
CCOc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3cc(C)ccc32)S(=O)(=O)c2ccc(F)cc2)cc1,C22369347_decoy,ITAL,Decoy,0,-9.07675,-8.63,-2.18,-8.24289275858372
COc1ccc([C@H](CC(C)C)NC(=O)CN(c2cc(C)ccc2OC)S(=O)(=O)c2ccc(C)cc2)cc1,C22431759_decoy,ITAL,Decoy,0,-8.96647,-7.81,-4.66,-9.038438923254237
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(Br)cc2)cc1C,C24081229_decoy,ITAL,Decoy,0,-9.7753,-8.52,-2.61,-11.696712197689765
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(Br)cc2)cc1C,C24081418_decoy,ITAL,Decoy,0,-9.72141,-8.06,-2.18,-9.043592925038515
CCOc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(C)cc4C)S3)[C@@H](c3ccccc3)C2)cc1,C28158939_decoy,ITAL,Decoy,0,-7.75027,-9.5,-2.05,-6.804150161742888
CC[NH+](CC)CCCN1C(=O)C([O-])=C(C(=O)c2cnn(-c3ccccc3)c2C)[C@H]1c1ccc(C(C)(C)C)cc1,C29501343_decoy,ITAL,Decoy,0,-9.42256,-8.02,-3.47,-10.864305406857056
COc1ccc(-n2c(S[C@H](C)C(=O)c3ccc(C)c(C)c3)nc3cc(C(=O)NC(C)C)ccc3c2=O)cc1,C32944398_decoy,ITAL,Decoy,0,-7.86731,-5.52,-2.68,-7.078359702751612
CCCNC(=O)c1ccc2c(=O)n(Cc3ccc(C)cc3)c(SCC(=O)c3ccc(OCC)cc3)nc2c1,C32944550_decoy,ITAL,Decoy,0,-8.02996,-8.3,-3.62,-8.366257345125412
CCOC(=O)c1c(NC(=O)/C(C#N)=C/c2ccc(OCC)c(OC)c2)sc(C)c1-c1ccc(Cl)cc1,C01974880_decoy,ITAL,Decoy,0,-8.31582,-7.2,-2.1,-7.121099786063757
C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Nc1ccc(CC)cc1,C33793934_decoy,ITAL,Decoy,0,-8.56798,-8.41,-4.42,-8.698256768864525
CCOC(=O)c1ccc(NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2sccc2C)C2CC2)cc1,C34694808_decoy,ITAL,Decoy,0,-6.49614,-7.85,-3.26,-7.008088775015056
CC(=O)c1sc2c(c1C)c(=O)n(CCCc1ccccc1)c(=O)n2CC(=O)Nc1cccc2ccccc12,C34777996_decoy,ITAL,Decoy,0,-7.58827,-7.86,-2.9,-7.139294554471595
COc1ccc(-n2nc(-c3ccccc3)cc2NC(=O)CN(CC(C)C)C(=O)[C@@H](Cl)c2ccccc2)cc1,C35129948_decoy,ITAL,Decoy,0,-7.56517,-6.54,-3.46,-7.602278843001443
CCN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=S)Nc1ccc(F)cc1,C35667646_decoy,ITAL,Decoy,0,-9.97055,-8.48,-4.12,-9.47889766682796
CCN(CC(=O)Nc1nc(-c2ccccc2)cn1-c1ccc(C(F)(F)F)cc1)C(=O)c1ccc(OC)cc1,C35700605_decoy,ITAL,Decoy,0,-7.38754,-5.66,-1.87,-6.194761875435337
CSc1ccc(NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2cccs2)C[C@@H]2CCCO2)cc1,C33904690_decoy,ITAL,Decoy,0,-8.9116,-7.94,-2.57,-8.849709774399411
CO[C@H](C(=O)N(Cc1ccco1)[C@@H](C(=O)NC(C)(C)C)C(c1ccccc1)c1ccccc1)c1ccccc1,C36494955_decoy,ITAL,Decoy,0,-7.88986,-5.17,-3.35,-7.398093311171668
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C)C(=O)/C(=C\c1ccccc1)c1ccccc1,C36523248_decoy,ITAL,Decoy,0,-8.75859,-9.26,-2.28,-9.508509870239797
CCCN(C(=O)c1ccc(OC)cc1)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)[C@@H](C)c1ccccc1,C36568315_decoy,ITAL,Decoy,0,-7.81909,-8.67,-3.46,-8.008376557923945
COC(=O)[C@@H](NC(=O)CCC(=O)O[C@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@H]3CC[C@]12C)c1ccccc1,C33933940_decoy,ITAL,Decoy,0,-9.16548,-8.82,-3.1,-7.753314187624887
COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@@H]3c2cccc(F)c2)cc1,C37427495_decoy,ITAL,Decoy,0,-8.78824,-4.88,-2.36,-6.190527422645793
CCCNC(=O)CN1C(=O)CS[C@H](c2cccc(F)c2)c2c(C(C)(C)C)nn(-c3ccc(OC)cc3)c21,C37427498_decoy,ITAL,Decoy,0,-7.75647,-5.06,-1.66,-5.804386607952563
CC(=O)c1ccc(S(=O)(=O)NC[C@@H](c2ccc(N(C)C)cc2)N2CCN(c3ccc(F)cc3)CC2)cc1,C38666205_decoy,ITAL,Decoy,0,-9.33915,-9.06,-2.12,-8.942423552921223
Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3cccc([N-]S(=O)(=O)c4ccccc4)c3)sc2cc1C,C36698987_decoy,ITAL,Decoy,0,-9.18746,-6.43,-3.72,-7.964407777236624
COc1ccc(-c2nn(-c3ccccc3)cc2/C=N/N=C2\NC(=O)[C@@H](Cc3ccc(C(C)C)cc3)S2)cc1,C39888495_decoy,ITAL,Decoy,0,-8.62901,-7.88,-1.96,-7.1503817484602905
CC1(C)C[C@H]2C[C@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)NC34CC5CC(CC(C5)C3)C4)c2)C1,C12563727_decoy,ITAL,Decoy,0,-9.01718,-6.82,-3.24,-8.275646378940017
O=C(CSc1nnc(-c2csc3c2CCCCC3)n1C[C@@H]1CCCO1)Nc1nc2ccccc2s1,C39966873_decoy,ITAL,Decoy,0,-11.0843,-8.2,-2.44,-10.34554151202311
COc1cccc([C@@H]2C(C(=O)c3sc(Sc4ccc(C)cc4)nc3C)=C([O-])C(=O)N2CC[NH+](C)C)c1,C39991648_decoy,ITAL,Decoy,0,-8.80378,-8.24,-2.98,-7.600955148831256
O=C(CCCN1C(=O)/C(=C/c2ccc(F)cc2)SC1=S)Nc1nonc1-c1ccc2c(c1)CCCC2,C47133704_decoy,ITAL,Decoy,0,-8.53512,-7.74,-2.5,-6.37685567028152
C=CCc1c(C)nc(SCC(=O)Nc2c(Br)cc(OC)cc2Br)c(C#N)c1C,C01425134_decoy,ITAL,Decoy,0,-9.71552,-6.84,-1.85,-8.015646527626584
CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4Cl)nn32)ccc1OC,C01283836_decoy,ITAL,Decoy,0,-9.01783,-6.9,-1.62,-10.29491869012324
CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@@H](CC)c3nnnn3Cc3ccc(F)cc3)cc2c1,C57640694_decoy,ITAL,Decoy,0,-8.90396,-5.67,-2.69,-6.848474309687937
CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(F)cc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O,C57641952_decoy,ITAL,Decoy,0,-8.42728,-10.97,-2.66,-9.381952734707877
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccc(C)c(C)c3)S(=O)(=O)c3ccccc3)c2C)cc1,C58915035_decoy,ITAL,Decoy,0,-9.67463,-7.68,,99.0
Cc1ccc(COc2ccc(/C=N/NC(=O)CN(c3ccc4c5c(cccc35)CC4)S(C)(=O)=O)cc2)cc1,C59464031_decoy,ITAL,Decoy,0,-9.0487,-9.82,-1.89,-11.89047121831448
CC[NH+](CC)Cc1nc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)c2c(C)c(C)sc2n1,C03487135_decoy,ITAL,Decoy,0,-9.14981,-7.21,-2.85,-8.074393199591016
COC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[NH+](Cc1ccccc1)C3,C09144855_decoy,ITAL,Decoy,0,-9.11158,-6.11,-3.84,-7.581887856269299
CCOc1ccc(-n2c(SCc3ccc([N+](=O)[O-])cc3)nc3sc4c(c3c2=O)CC[NH+](C)C4)cc1,C09311961_decoy,ITAL,Decoy,0,-8.54771,-5.93,-2.14,-6.5832977338383
CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1nc2cc(C)c(C)cc2s1,C09323317_decoy,ITAL,Decoy,0,-8.9965,-7.71,,99.0
CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(-c4nc5ccccc5s4)s3)c2C(=O)OCC)C1,C09383346_decoy,ITAL,Decoy,0,-9.19282,-5.23,-3.75,-5.702194626580889
CC[NH+](CC)CCN(C(=O)c1ccc(S(C)(=O)=O)cc1)c1nc2ccc(Br)cc2s1,C09385566_decoy,ITAL,Decoy,0,-8.57182,-3.32,-2.66,-4.737101095114453
CCS(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1,C09385592_decoy,ITAL,Decoy,0,-7.85687,-4.63,-3.13,-5.203351706298851
CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(C)c(C)ccc2s1,C09387537_decoy,ITAL,Decoy,0,-8.53598,-7.02,-3.33,-10.77256086095424
CC[NH+](CC)CCN(C(=O)c1cccc(S(=O)(=O)CC)c1)c1nc2c(OC)ccc(Cl)c2s1,C09452978_decoy,ITAL,Decoy,0,-8.8703,-6.5,-2.03,-8.761009751684163
COc1ccc(S[C@@H]2C[C@@H](C(=O)Nc3ccc4sc(C)nc4c3)[NH+](Cc3ccccc3F)C2)cc1,C12148930_decoy,ITAL,Decoy,0,-9.08828,-7.5,-1.8,-7.385078726396888
CC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+](Cc1ccccc1)Cc1cc2c(C)cc(C)cc2[nH]c1=O,C13064940_decoy,ITAL,Decoy,0,-8.25088,-5.8,-2.86,-6.136079025205415
Cc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+](CCc3ccccc3)Cc3cccs3)cc2c1,C06408944_decoy,ITAL,Decoy,0,-10.0921,-9.35,-4.18,-9.933590785938126
CCCOc1ccc([C@@H]2/C(=C(\O)c3ccc(Br)cc3)C(=O)C(=O)N2CC[NH+](CC)CC)cc1,C08905450_decoy,ITAL,Decoy,0,-10.0963,-5.08,-3.57,-7.038557780599255
O=C(NNc1ccccc1)c1cc(-c2ccccc2)cc(-c2ccccc2)[n+]1-c1ccc(-c2ccccc2)cc1,C15771346_decoy,ITAL,Decoy,0,-9.46656,-5.16,-2.33,-6.083052253091256
CCCC[NH+](C)CCCNC(=O)c1ccc2c(c1)N(Cc1cc(C)ccc1C)C(=O)c1ccccc1[S@@+]2[O-],C20242707_decoy,ITAL,Decoy,0,-8.09326,-8.1,-3.71,-9.150113516779925
CC[NH+](CC)CCNc1sc(S(=O)(=O)c2ccc(C)cc2)nc1S(=O)(=O)c1ccc(C)cc1,C21148752_decoy,ITAL,Decoy,0,-8.15098,-7.5,-3.01,-7.828557079229869
CCOc1ccc(-c2ccc(=O)n(CC[NH+]3CCN(S(=O)(=O)c4cc(C)c(C)cc4C)CC3)n2)cc1,C23244543_decoy,ITAL,Decoy,0,-7.66354,-8.25,-2.87,-9.572792056110377
CCCCOc1ccc(S(=O)(=O)N2CC[NH+](CCn3nc(-c4ccc(C)cc4)ccc3=O)CC2)cc1,C23244742_decoy,ITAL,Decoy,0,-7.5782,-7.84,-3.03,-8.122089804006634
O=S(=O)(c1cc(F)cc(F)c1)N1CC[NH+](CCO[C@H](c2ccccc2)c2ccc(F)c(F)c2)CC1,C23447678_decoy,ITAL,Decoy,0,-7.64065,-8.62,-3.76,-7.297018515947542
C[C@@H]1CCCC[NH+]1CCCNC(=O)c1csc(CN(Cc2ccc(F)cc2)Cc2cccc(Cl)c2)n1,C33608185_decoy,ITAL,Decoy,0,-10.6141,-8.54,-2.59,-10.954014829134836
CC[NH+](CC)CCN1C(=O)c2oc3ccc(C)cc3c(=O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1,C35486173_decoy,ITAL,Decoy,0,-8.03175,-5.04,-2.71,-6.033278271186312
O=C(CC[NH+]1CCCCC1)NN1C(=O)/C(=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)SC1=S,C35519101_decoy,ITAL,Decoy,0,-7.93922,-8.28,-3.22,-9.800236287761749
Cc1ccccc1C(=O)N(CC[NH+](C)C)Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1,C35667598_decoy,ITAL,Decoy,0,-8.56644,-8.94,-4.26,-10.827477345013788
COc1ccc(C(O)(c2ccc(OC)cc2)c2ccc(C[NH+](Cc3cccc(F)c3)Cc3ccco3)o2)cc1,C35745311_decoy,ITAL,Decoy,0,-10.6643,-8.89,-2.13,-10.139250677924714
COc1ccc(C[NH+](Cc2ccc(F)cc2)Cc2nc(C(=O)Nc3ccc(F)cc3)cs2)c(OC)c1,C35808052_decoy,ITAL,Decoy,0,-9.96972,-7.94,-2.85,-9.369327678544128
Cn1nc(-c2ccccc2)c(C[NH+](Cc2ccco2)C[C@@H](O)Cc2ccccc2)c1Oc1cccc(F)c1,C36306997_decoy,ITAL,Decoy,0,-8.54653,-8.43,-3.41,-8.693530265589215
Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2c1,C36637632_decoy,ITAL,Decoy,0,-9.36545,-9.02,-2.86,-10.622965108167262
CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCCC2)cc1)c1nc2cc(OC)ccc2s1,C36638164_decoy,ITAL,Decoy,0,-8.15879,-5.42,-3.62,-6.722029819657907
COc1ccc([C@H](CNC(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)[NH+]2CCCCC2)cc1,C38615191_decoy,ITAL,Decoy,0,-9.59,-8.35,-4.61,-9.984727549435924
CCN(CC)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](CC)CC)c2nc3cc(C)cc(C)c3s2)cc1,C36640368_decoy,ITAL,Decoy,0,-8.6767,-4.96,-3.56,-6.470533646981068
CC[NH+](CC)CCN(C(=O)CS(=O)(=O)c1ccc(Cl)cc1)c1nc2c(C)c(Cl)ccc2s1,C36698091_decoy,ITAL,Decoy,0,-8.92132,-7.41,-1.8,-9.1212618513311
Cc1cc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)sc2cc1C,C36698862_decoy,ITAL,Decoy,0,-7.27327,-7.41,-2.06,-6.9837779132927
CCOC(=O)C1=C(C)N=c2s/c(=C/C3=c4ccccc4=[NH+]C3)c(=O)n2[C@H]1c1ccc(OC)c(OCC)c1,C38897754_decoy,ITAL,Decoy,0,-8.68805,-9.07,-3.41,-8.979851870240251
CCc1ccc2c(c1)=C[C@@H](CN(Cc1ccc(OC)cc1)S(=O)(=O)c1ccc(C(=O)OC)cc1)C(=O)[NH+]=2,C39324868_decoy,ITAL,Decoy,0,-8.4257,-7.23,-2.27,-8.545664417226053
COc1cc2c(cc1OC)=[NH+]C(=O)[C@@H](CN(Cc1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1)C=2,C39325137_decoy,ITAL,Decoy,0,-7.37011,-5.68,-1.97,-5.420085867222244
COc1ccc(S(=O)(=O)N(CCc2cccc(C)c2)C[C@H]2C=c3cc4c(cc3=[NH+]C2=O)OCCO4)cc1,C39325259_decoy,ITAL,Decoy,0,-8.54113,-6.56,-1.93,-6.176427446214933
COC(=O)c1cccc(S(=O)(=O)N(Cc2ccc(F)cc2)C[C@@H]2C=c3ccc(OC)cc3=[NH+]C2=O)c1,C39325466_decoy,ITAL,Decoy,0,-7.27826,-7.8,-2.16,-7.191129688539895
COc1ccc(CN(C[C@@H]2C=c3cc(C)c(C)cc3=[NH+]C2=O)S(=O)(=O)c2cccc3nsnc23)cc1,C39325566_decoy,ITAL,Decoy,0,-9.23675,-5.24,-3.94,-5.909662152250299
COC(=O)c1ccc(CSC2=NC3=c4ccccc4=[NH+][C@H]3C(=O)N2c2ccc(OC(F)(F)F)cc2)o1,C39726491_decoy,ITAL,Decoy,0,-8.81414,-5.71,-2.86,-6.400844579214179
COc1ccc(-n2nc(-c3ccc(OC)cc3OC)cc2C(=O)N(CC[NH+](C)C)Cc2ccccc2)cc1,C40364480_decoy,ITAL,Decoy,0,-8.46895,-6.48,-4.19,-7.22096453774298
CCOc1cc(C[NH2+]Cc2ccccc2OC)cc(Br)c1OCc1c(F)cccc1Cl,C40740582_decoy,ITAL,Decoy,0,-9.50343,-7.95,-3.21,-13.345028120484212
COc1ccc(N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,C44857272_decoy,ITAL,Decoy,0,-8.43572,-9.05,-2.97,-8.532198885327086
COc1ccccc1N(CC(=O)NCc1ccc(C[NH+]2CCCCC2)cc1)S(=O)(=O)c1ccccc1,C44873577_decoy,ITAL,Decoy,0,-7.40353,-7.53,-4.37,-7.708337320478441
Cc1cc(N(CC(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)S(C)(=O)=O)ccc1Br,C44874105_decoy,ITAL,Decoy,0,-8.6901,-7.68,-1.78,-10.731065412360056
CS(=O)(=O)N(Cc1ccc(F)cc1)c1ccc(C(=O)NCc2ccc(C[NH+]3CCCCC3)cc2)cc1,C44874546_decoy,ITAL,Decoy,0,-8.93395,-9.04,-2.39,-7.289223441935785
C[C@H]1CCC[NH+](Cc2ccc(CNC(=O)CN(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)cc2)C1,C44878242_decoy,ITAL,Decoy,0,-8.1864,-9.24,-3.48,-7.678009625607713
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N4CCC([NH+](C)C)CC4)o3)c(=O)n2[C@H]1c1ccccc1,C59418577_decoy,ITAL,Decoy,0,-9.30142,-8.04,-1.64,-11.40845619786825
COC(=O)c1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCc4ccc(OC)cc4)CC(=O)N23)cc1,C63139721_decoy,ITAL,Decoy,0,-7.53925,-6.78,-1.73,-6.590066269210428
CCCOc1ccc([C@@H]2CN3C(=O)CN(C[C@@H]4CCCO4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1OCC,C63374248_decoy,ITAL,Decoy,0,-8.02654,-7.21,-3.05,-7.10450327648285
COc1cc(CN(CCC2=c3ccccc3=[NH+][C@@H]2C)C(=S)Nc2ccc(F)cc2)cc(OC)c1OC,C63655012_decoy,ITAL,Decoy,0,-9.44024,-8.65,-3.05,-9.971722511863623
O=c1c2c(nc(SCc3ccccc3)n1CCc1ccccc1)-c1ccccc1CC21CCCC1,C02060619_decoy,ITAL,Decoy,0,-9.89728,-9.75,-1.59,-10.852026750970944
Fc1cccc(Cl)c1CO/N=C/c1cc2ccccc2nc1SCc1ccc(Cl)cc1,C08873135_decoy,ITAL,Decoy,0,-10.4137,-9.6,-3.12,-9.630201409444204
O=C(Cn1c2ccc(Br)cc2c2nc3ccccc3nc21)c1ccc(-c2ccccc2)cc1,C01907068_decoy,ITAL,Decoy,0,-9.32049,-7.15,-2.47,-6.192843630079799
Cc1ccccc1Oc1ccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@]3(C)C2=O)cc1,C01179623_decoy,ITAL,Decoy,0,-8.90156,-5.24,-1.54,-5.705785633090364
CSc1nc2sc3c(c2c2nnc(SCc4ccc(Cl)c(Cl)c4)n12)CC[C@H](C)C3,C01826651_decoy,ITAL,Decoy,0,-10.3727,-5.44,-3.33,-5.884364606211639
Cc1c(Cl)ccc2sc(N(C[C@@H]3CCCO3)C(=O)c3sc4ccccc4c3Cl)nc12,C11160142_decoy,ITAL,Decoy,0,-11.0771,-8.37,-1.71,-10.978394143846025
O=c1/c(=C/C2=C(c3ccccc3)Oc3ccccc3[C@H]2c2ccccc2)sc2nc3ccccc3n12,C12492833_decoy,ITAL,Decoy,0,-7.74045,-6.56,-3.29,-5.450477128373331
Cc1ccc([P@@](=Nc2ccc(C)c(Cl)c2)(Oc2cccc(Br)c2)C(C)(C)C)o1,C12575355_decoy,ITAL,Decoy,0,-8.18892,-8.42,-2.16,-8.178112352117408
Cc1ccc(C(=O)[C@@H](OC(=O)c2ccc(I)cc2)c2ccc(C)cc2)cc1,C03294214_decoy,ITAL,Decoy,0,-9.34247,-9.33,-1.81,-9.38968539342268
Cc1ccc(-n2c(C)cc3c2CCc2c-3nc3c(c(C)nn3-c3ccccc3)c2C(F)(F)F)cc1,C03223617_decoy,ITAL,Decoy,0,-7.05131,-5.93,-4.15,-4.564139386165007
Cc1ccccc1CSc1nc2c(sc(=S)n2-c2ccccc2C)c2nc3ccccc3n12,C09579410_decoy,ITAL,Decoy,0,-9.87196,-6.11,-2.65,-6.198749734344295
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@H]3[C@H]4CC[C@](C#Cc5ccccc5)(OC(C)=O)[C@@]4(C)CC[C@@H]32)C1,C13399827_decoy,ITAL,Decoy,0,-8.84753,-4.45,-1.09,-4.911793584959934
CCn1c2ccccc2c2cc([P@@](=Nc3ccc(F)cc3)(N3CCCCC3)C(C)(C)C)ccc21,C12524738_decoy,ITAL,Decoy,0,-7.89305,-9.5,-2.96,-8.241378920450602
Cc1ccc(-n2c(/C=C/c3ccccc3)nc3ccc(I)cc3c2=O)c(C)c1,C13511712_decoy,ITAL,Decoy,0,-9.16556,-11.32,-1.74,-10.46649471991622
Cc1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(C)cc2)cc1,C13563350_decoy,ITAL,Decoy,0,-8.39394,-5.55,-2.95,-5.124389126767992
Cc1nc(SCc2c(Cl)cccc2Cl)c2sc3nc4c(cc3c2n1)COC(C)(C)C4,C02383722_decoy,ITAL,Decoy,0,-9.08421,-9.09,-2.64,-9.121413981205
Cc1nn2cc(-c3ccc(I)cc3)cc2c2c(C)n(Cc3ccccc3)c(C)c12,C02427098_decoy,ITAL,Decoy,0,-8.25807,-6.2,-3.16,-5.998992051397035
Clc1cnn(Cn2nc(-c3ccc(Cl)c(Cl)c3)cc2-c2ccc(Cl)c(Cl)c2)c1,C13960657_decoy,ITAL,Decoy,0,-10.2058,-7.88,-2.92,-7.46985289571135
O=C(Oc1ccc(Br)cc1Br)c1ccc(OCCc2ccccc2)cc1,C14781183_decoy,ITAL,Decoy,0,-7.74306,-8.06,-3.05,-6.986376396801681
O=C(c1cc(S(=O)(=O)c2ccccc2)ccc1Cl)N1c2ccccc2Sc2ccccc21,C14945019_decoy,ITAL,Decoy,0,-6.89044,-10.13,-1.7,-7.907418213675287
Clc1c(-c2nnc(SCc3nc4ccccc4s3)n2-c2ccccc2)sc2ccccc12,C15441308_decoy,ITAL,Decoy,0,-11.0168,-9.24,-2.81,-8.553637635748407
O=C(/C=C\C(C(=O)c1ccccc1)=C1C[C@@H](c2ccccc2)O[C@@H](c2ccccc2)C1)c1ccccc1,C15773186_decoy,ITAL,Decoy,0,-9.62796,-5.87,-2.88,-6.56496588494386
O=C1c2ccccc2/C(=N/c2ccc(/N=C/c3ccc(Br)cc3)cc2)[C@H]1c1ccccc1,C16663469_decoy,ITAL,Decoy,0,-8.53345,-5.04,-2.33,-5.284798909316444
Cc1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccc(C)c(C)c2)cc1,C16852626_decoy,ITAL,Decoy,0,-8.46529,-8.7,-2.61,-7.071392530719852
Clc1ccc(-c2csc3ncnc(N4CCN(C5c6ccccc6-c6ccccc65)CC4)c23)cc1,C19682022_decoy,ITAL,Decoy,0,-9.04061,-6.92,-2.61,-6.313763973427471
Cc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)c3ccc(Cc4ccccc4)cc3)nc12,C22900895_decoy,ITAL,Decoy,0,-8.74318,-7.55,-1.74,-7.825716058406144
CCn1c(SCc2cc(F)c(F)cc2F)nnc1-c1cc(-c2ccccc2)nc2ccccc12,C25163131_decoy,ITAL,Decoy,0,-8.72569,-8.93,-2.81,-8.04081967496313
Cc1ccc(/N=C(\c2ccccc2)N(C(=O)C(C(F)(F)F)C(F)(F)F)c2ccc(C)cc2)cc1,C04551931_decoy,ITAL,Decoy,0,-7.53024,-9.12,-2.21,-10.90737360074812
Cc1ccc(C)c(/N=C2\SCC(C)(C)N2C(=O)CC23C[C@@H]4C[C@@H](CC(Br)(C4)C2)C3)c1,C17994335_decoy,ITAL,Decoy,0,-7.64725,-9.9,-2.08,-8.421383341224258
N#C/C(=C\c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1)c1nc2ccccc2s1,C33568610_decoy,ITAL,Decoy,0,-7.90574,-6.33,-3.69,-5.243816747161618
CCC1=C(C)Cc2sc3c(c21)c(=O)n(Cc1ccc(C)cc1C)c(=O)n3Cc1cc(C)ccc1C,C34731339_decoy,ITAL,Decoy,0,-10.011,-7.14,-3.74,-8.234171670893641
Cc1ccc2nc(N(Cc3ccccc3)C(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1,C36707847_decoy,ITAL,Decoy,0,-9.29859,-5.59,-3.11,-6.513136962063387
Cc1ccc(C)c(N2C(=O)C3=Nc4ccccc4C3=N[C@H]2SCc2cccc(C(F)(F)F)c2)c1,C39726700_decoy,ITAL,Decoy,0,-9.43928,-10.45,,99.0
Cc1ccc(C)c(N2C(=O)C3=Nc4ccccc4C3=N[C@@H]2SCc2cccc(C(F)(F)F)c2)c1,C39726701_decoy,ITAL,Decoy,0,-9.64506,-10.5,-3.42,-9.535894547186825
Cc1ccc(C)c(N2C(=O)C3=Nc4ccccc4C3=N[C@@H]2SCc2ccc(C(F)(F)F)cc2)c1,C39726705_decoy,ITAL,Decoy,0,-8.8,-11.26,-2.91,-8.719448904865539
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(Cc1ccccc1Cl)C3=O,C39824744_decoy,ITAL,Decoy,0,-8.534,-5.16,-1.94,-5.009475910215852
CC(C)(C)c1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(Br)c2)cc1,C39872067_decoy,ITAL,Decoy,0,-7.75019,-5.16,-1.47,-4.83335411889152
Cc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)cc1,C39875606_decoy,ITAL,Decoy,0,-9.34844,-4.95,-2.77,-5.110520047431986
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Cl)c1)N(c1cccc(C(F)(F)F)c1)C3=O,C39878160_decoy,ITAL,Decoy,0,-9.15077,-10.71,-1.73,-13.651551642526488
CC[C@]1(C)Cc2ccccc2-c2nc(SCc3ccccc3F)n(-c3ccc(C)cc3)c(=O)c21,C40032482_decoy,ITAL,Decoy,0,-9.55263,-9.95,-2.69,-9.05203241262595
Cc1ccc(CN2C(=O)c3oc4c(C)c(C)ccc4c(=O)c3[C@H]2c2cccc(Br)c2)cc1,C40063212_decoy,ITAL,Decoy,0,-7.94001,-9.65,-1.36,-7.663116220214574
Cc1ccc2c(=O)c3c(oc2c1C)C(=O)N(Cc1ccc(F)cc1)[C@@H]3c1cccc(Br)c1,C40063217_decoy,ITAL,Decoy,0,-9.44336,-9.66,,99.0
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(Cc1ccccc1Cl)[C@@H]3c1ccc(Cl)c(Cl)c1,C40513206_decoy,ITAL,Decoy,0,-9.89194,-5.61,-2.06,-5.870047922997087
Cc1c(/C=c2\sc3nc4ccccc4n3c2=O)c2ccccc2n1Cc1cccc2ccccc12,C41078065_decoy,ITAL,Decoy,0,-8.99404,-11.49,-2.94,-11.371627345153618
CC1(C)C[C@H]2C[C@](C)(CN2C(=O)C[C@@H](c2cccs2)c2cn(Cc3ccccc3)c3ccccc23)C1,C35768938_decoy,ITAL,Decoy,0,-8.86967,-10.31,-3.01,-8.897355380922457
O=C1/C(=C\c2ccc(I)o2)S/C(=N/c2ccccc2)N1c1ccccc1,C59087023_decoy,ITAL,Decoy,0,-8.82742,-7.52,-2.3,-6.834998652399612
CCOC(=O)C1=NN(c2cccc(C)c2)[C@]2(S1)S[C@@H](c1cc(C)ccc1C)c1ccccc12,C59124669_decoy,ITAL,Decoy,0,-9.47052,-9.13,-1.86,-12.190564620639494
CCOC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)S[C@H](c1cc(C)ccc1C)c1ccccc12,C59124680_decoy,ITAL,Decoy,0,-7.21939,-4.78,-2.04,-5.083945136854945
O=C1/C(=C\c2ccc(Cl)cc2)S(=O)(=O)[C@H](c2ccc(Cl)cc2)N1c1ccc(Cl)cc1,C59383348_decoy,ITAL,Decoy,0,-9.53048,-4.69,-2.22,-5.06788578535774
CSc1cccc(/N=C2/C[C@@H](c3ccc(C(C)(C)C)cc3)N(c3cccc(SC)c3)C2=O)c1,C59443223_decoy,ITAL,Decoy,0,-10.7148,-6.15,-3.39,-7.990574767460608
COc1ccc(C(=O)Nc2nc3c(s2)C[C@@]2(C)CC[C@@H]([C@H](C)C(=O)N4CCSCC4)[C@H](O)[C@H]2[C@@H]3C)cc1,C04222004_decoy,ITAL,Decoy,0,-8.97386,-5.73,-2.3,-5.575759627710308
C=C1C(=O)[C@@]23[C@H]([C@H](OC(C)=O)C[C@]1(O)[C@@H]2OC(C)=O)[C@]1(C)[C@H](OC(C)=O)CCC(C)(C)[C@@H]1C[C@H]3OC(C)=O,C04268180_decoy,ITAL,Decoy,0,-6.52239,-4.54,,99.0
COc1ccc(S(=O)(=O)N2C(=O)/C(=C3\S/C(=N/S(=O)(=O)c4ccc(C)cc4)NC3=O)c3ccccc32)cc1,C01784777_decoy,ITAL,Decoy,0,-8.93124,-9.08,-4.23,-8.35828180100157
COc1ccc(CN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)S(=O)(=O)c2c(C)ccc3nsnc23)cc1,C00925520_decoy,ITAL,Decoy,0,-8.67854,-8.38,-3.89,-8.144341056674122
COc1ccc(CN(Cc2cc3cc(C)c(C)cc3[nH]c2=O)S(=O)(=O)c2c(C)ccc3nsnc23)cc1,C01222657_decoy,ITAL,Decoy,0,-9.03014,-8.8,-3.71,-8.200153446899554
C[C@@H](NS(=O)(=O)c1ccc(Cl)c(Cl)c1)C(=O)OCc1cc(=O)n2cc(Br)ccc2n1,C03379984_decoy,ITAL,Decoy,0,-8.87143,-6.42,-1.62,-6.827214506041267
C=CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(NC(=O)CS(=O)(=O)c4ccccc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C04222071_decoy,ITAL,Decoy,0,-8.20337,-7.95,-3.57,-7.176605588215364
CC(=O)O[C@H]1C[C@@H](O)C(C)(C)[C@H]2C[C@@H](OC(C)=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@@H]5O[C@]534)[C@@]12C,C08214816_decoy,ITAL,Decoy,0,-7.14319,-5.5,-4.07,-5.951387160821636
O=C1c2ccccc2C(=O)C12O[C@@H](c1ccc(Cl)cc1)C1(C(=O)c3ccccc3C1=O)[C@@H]2c1cccc([N+](=O)[O-])c1,C00797206_decoy,ITAL,Decoy,0,-9.89322,-5.88,-3.69,-5.9306386611850055
CCc1ccccc1NC(=O)c1nn2c(c1Br)N[C@H](c1ccc(Br)o1)C[C@H]2C(F)(F)F,C00675196_decoy,ITAL,Decoy,0,-8.1038,-8.14,-1.77,-7.232346246753496
COC(=O)C1=c2s/c(=C\c3ccccc3Br)c(=O)n2C(N)=C(C#N)[C@@H]1c1ccccc1Br,C01875157_decoy,ITAL,Decoy,0,-8.23644,-5.16,-2.38,-5.545505853118168
O=C(Cn1c(=O)c2c(nc(Br)n2Cc2ccccc2)n(Cc2ccccc2)c1=O)c1ccc([N+](=O)[O-])cc1,C01314511_decoy,ITAL,Decoy,0,-8.1584,-8.85,-2.62,-8.242504246769595
N#C/C(=C/Nc1ccc2c(C(F)(F)F)cc(=O)oc2c1)c1nc(-c2cc3cc(Br)ccc3oc2=O)cs1,C01816006_decoy,ITAL,Decoy,0,-8.61839,-9.09,-3.58,-7.040770465842964
COc1ccc(NC(=O)/C(C#N)=c2/s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2-c2ccccc2)cc1,C01758244_decoy,ITAL,Decoy,0,-7.27852,-6.74,-3.34,-5.918426336191784
Cc1c(NC(=O)c2nn3c(c2Br)N[C@@H](c2ccccc2)C[C@@H]3C(F)(F)F)c(=O)n(-c2ccccc2)n1C,C00647377_decoy,ITAL,Decoy,0,-8.9509,-5.47,-2.51,-6.442476662854759
O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H](c1csnn1)N(Cc1ccco1)C(=O)CN1C(=O)c2ccccc2C1=O,C08748771_decoy,ITAL,Decoy,0,-7.30145,-8.68,,99.0
COc1ccc(-n2nc(C(=O)N3CCCC3)/c(=N/C(=O)c3nnn(-c4ccccc4)c3-c3ccccc3)s2)cc1,C08770531_decoy,ITAL,Decoy,0,-8.87015,-9.92,-3.59,-11.480744113147985
CC(C)CCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C,C09777251_decoy,ITAL,Decoy,0,-8.49958,-6.88,-3.26,-6.586318069209488
COc1cc([C@@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CC(C)(C)C3)cc(OC)c1OC,C01022979_decoy,ITAL,Decoy,0,-9.61293,-5.66,-2.56,-5.703215459240706
N#C/C(=C\Nc1ccc(I)cc1)c1nc(-c2cc3cc([N+](=O)[O-])ccc3oc2=O)cs1,C01769306_decoy,ITAL,Decoy,0,-7.48273,-7.19,-2.92,-5.876726136635729
CCOc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N([C@@H]4CCCC[C@@H]4C)[C@H](C(=O)NC4CCCCC4)[C@]34C=C[C@H]2O4)cc1,C20106524_decoy,ITAL,Decoy,0,-8.57535,-6.56,-2.27,-6.555183479018859
CCOc1ccc(NC(=O)[C@H]2[C@H]3C(=O)N(C[C@@H]4CCCO4)[C@H](C(=O)N[C@@H]4CCCC[C@@H]4C)[C@]34C=C[C@H]2O4)cc1,C20107011_decoy,ITAL,Decoy,0,-8.30185,-6.71,-2.68,-6.891166778846996
CCOc1ccc(NC(=O)[C@@H]2[C@H]3C(=O)N(C4CCCCC4)[C@H](C(=O)N[C@@H]4CCCC[C@@H]4C)[C@]34C=C[C@H]2O4)cc1,C20107033_decoy,ITAL,Decoy,0,-8.66602,-8.86,-2.37,-7.991009833255686
O=C(Nc1cc(Oc2ccc3c(c2)CCC3)cc([N+](=O)[O-])c1)c1cnn2c1N[C@@H](c1ccco1)C[C@H]2C(F)(F)F,C01307711_decoy,ITAL,Decoy,0,-8.70045,-9.66,-4.39,-11.881738012076603
CC(C)OC(=O)c1c(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc([N+](=O)[O-])cc2)N3)sc2c1CCCC2,C01811159_decoy,ITAL,Decoy,0,-8.98756,-8.97,-3.17,-10.204066276627133
C=C1CCC[C@]2(C)C[C@@H]3OC(=O)[C@H](CN(C[C@H]4C(=O)O[C@H]5C[C@@]6(C)CCCC(=C)[C@H]6C[C@H]54)OC(C)=O)[C@@H]3C[C@H]12,C36046224_decoy,ITAL,Decoy,0,-8.61164,-7.99,-3.38,-8.740147443132694
CC(C)C(=O)OCC(=O)[C@@]12O[C@@H](C3CCCCC3)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@H]3[C@@H](O)C[C@@]12C,C36047107_decoy,ITAL,Decoy,0,-10.0948,-7.64,-3.3,-8.30280999920283
COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C[C@]2(C)C(=C1)CC[C@H]1[C@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O,C37238085_decoy,ITAL,Decoy,0,-9.23319,-7.2,-2.24,-6.612414338621768
Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NCC[NH+](C)C)C(=O)CS[C@H]3c2ccccc2C)c1,C37426671_decoy,ITAL,Decoy,0,-8.32997,-5.3,-3.27,-6.056433420539687
COCCNC(=O)CN1C(=O)CS[C@H](c2ccccc2C)c2c(C(C)(C)C)nn(-c3ccc(C)cc3C)c21,C37427438_decoy,ITAL,Decoy,0,-8.1577,-5.73,-3.58,-6.5581754476558975
COC(=O)[C@H](Cc1ccccc1)NC(=O)CO/N=C1\C=C[C@]2(C)C(=C1)CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O,C43740356_decoy,ITAL,Decoy,0,-8.3279,-4.56,-3.06,-5.513369315587611
COc1ccc(CN(Cc2cc3cc(OC)c(OC)cc3[nH]c2=O)C(=O)c2sc3cc(F)ccc3c2Cl)cc1,C01377563_decoy,ITAL,Decoy,0,-10.027,-8.19,-2.18,-10.817655007329767
Cn1c(=O)[nH]c(=O)c2c1nc(N1CCCCCC1)n2C[C@@H](O)COc1ccc(I)cc1,C00628054_decoy,ITAL,Decoy,0,-8.73523,-5.15,-2.19,-6.051144365374965
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cc(Br)c(OC)c(OC)c1,C00649201_decoy,ITAL,Decoy,0,-6.96598,-4.09,-3.06,-4.905074563421447
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@H]3c2cc([N+](=O)[O-])ccc2Cl)cc1OC,C00781305_decoy,ITAL,Decoy,0,-7.94351,-4.36,-3.57,-5.5426225868156935
CC1=C(C(=O)OCCc2ccccc2)[C@H](c2cc3c(cc2[N+](=O)[O-])OCO3)C2=C(C[C@H](c3ccccc3)CC2=O)N1,C00801121_decoy,ITAL,Decoy,0,-8.59336,-5.24,-2.56,-6.390112204320572
CCN1C(=O)[C@@H](CC(=O)Nc2ccc(I)cc2)N(NC(=O)c2cccc(F)c2)C1=S,C01078081_decoy,ITAL,Decoy,0,-8.92209,-8.36,-2.85,-9.53068044138353
CCc1ccc(NC(=O)c2nn3c(c2Br)N[C@H](c2ccc(Br)o2)C[C@H]3C(F)(F)F)cc1,C01238753_decoy,ITAL,Decoy,0,-7.64751,-5.25,-2.81,-5.542194143962277
Cn1c(=O)[nH]c(=O)c2c1nc1n2C[C@@H](COc2c(Br)cc(Br)cc2Br)O1,C01242754_decoy,ITAL,Decoy,0,-9.07922,-5.34,-1.56,-6.177949431095216
CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(SCC(=O)Nc5cccc6ccccc56)ncnc4c23)CO1,C01271510_decoy,ITAL,Decoy,0,-9.08101,-9.99,-2.29,-8.074962602360825
CCOC(=O)c1c(NC(=O)C2=C(C)NC3=C(C(=O)CC(C)(C)C3)[C@H]2c2cccc(OC)c2OC)sc2c1CCCC2,C01423016_decoy,ITAL,Decoy,0,-10.6176,-9.2,-2.95,-9.697997698411717
COC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1,C01809212_decoy,ITAL,Decoy,0,-8.83243,-5.95,-2.59,-7.362866705382848
COc1ccc([C@@H]2[C@@H](C(=O)c3cccc([N+](=O)[O-])c3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1OC,C01852422_decoy,ITAL,Decoy,0,-8.4337,-9.37,-3.07,-8.157809076258134
CCOC(=O)C1=C(C)N=c2s/c(=C3\C(=O)N(C)c4ccccc43)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1,C01867875_decoy,ITAL,Decoy,0,-8.88883,-5.84,-3.52,-6.002279078045071
O=C(c1ccccc1Cl)[C@@H]1[C@@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12,C01885513_decoy,ITAL,Decoy,0,-7.53713,-9.44,-2.88,-7.628789385289838
Cn1cnnc1SCc1ccc(C(=O)N/N=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3oc2=O)cc1,C03234670_decoy,ITAL,Decoy,0,-8.54943,-6.6,-2.62,-5.9864290712080015
COc1ccc(-c2cc(-c3nnc(CSc4nnc(C)n4-c4ccccc4)o3)c3ccccc3n2)cc1OC,C03360156_decoy,ITAL,Decoy,0,-8.68003,-9.15,-1.84,-7.431800066587036
O=C(Nc1ccc(S(=O)(=O)/N=C2/CCCCCN2)cc1)c1oc2ccccc2c1CSCc1ccccc1,C03395659_decoy,ITAL,Decoy,0,-10.0251,-8.95,-3.42,-10.688468416809204
CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@@]3(C)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@@H]3[C@@]12C,C03978178_decoy,ITAL,Decoy,0,-6.84283,-4.21,-2.86,-5.058907211963812
COC(=O)[C@@H]1OC(=O)[C@H]2O[C@]23[C@]2(C)[C@H](O)C[C@H]4C(C)(C)[C@H](OC(C)=O)C[C@H](OC(C)=O)[C@]4(C)[C@H]2CC[C@@]13C,C61389511_decoy,ITAL,Decoy,0,-8.95474,-4.83,-3.23,-5.792822973462423
CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCC(Cc2ccccc2)CC1,C06149051_decoy,ITAL,Decoy,0,-7.9468,-8.48,-2.06,-7.747386604945257
CCOC(=O)c1oc2c(C[NH+]3CCCC[C@H]3C)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1,C01811478_decoy,ITAL,Decoy,0,-9.61619,-4.87,-2.39,-5.913095496482539
C[C@@H](CCc1ccc(O)cc1)[NH+]1CCN(c2cccc3c2C(=O)N(Cc2ccc(Cl)cc2)C3=O)CC1,C11785538_decoy,ITAL,Decoy,0,-9.22582,-7.76,-4.19,-8.489657329912907
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c([C@H](c2ccc(OC)cc2)[NH+]2CCCCC2)c1O,C11867327_decoy,ITAL,Decoy,0,-8.49419,-5.79,-2.85,-5.38778256672328
CCOC(=O)c1oc2c(C[NH+]3CCCC[C@@H]3C)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1,C01811480_decoy,ITAL,Decoy,0,-9.43632,-4.67,-3.19,-6.128971298885234
CC#CCN1C(=O)N[C@](CCc2ccccc2)(C2CC[NH+](Cc3ccccc3-c3ccco3)CC2)C1=O,C11972138_decoy,ITAL,Decoy,0,-8.5702,-9.23,-2.45,-10.184834653560811
COc1ccc(Cn2c(SCc3ccc(C(C)(C)C)cc3)nc3cc(OC)c(OC)cc3c2=[NH2+])cc1,C12856002_decoy,ITAL,Decoy,0,-9.62901,-6.68,-3.38,-7.743862519890547
CC[C@H](c1nnnn1C1CCCCC1)[NH+](Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O,C13064678_decoy,ITAL,Decoy,0,-8.56734,-10.16,-3.57,-9.479337688417337
CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+](Cc1cc2cc(C)c(C)cc2[nH]c1=O)C1CCCCC1,C13064701_decoy,ITAL,Decoy,0,-8.50006,-10.61,-2.03,-10.681250402634436
CC[C@H](c1nnnn1C1CCCCC1)[NH+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O,C13495874_decoy,ITAL,Decoy,0,-9.09731,-9.62,-3.92,-9.321815615331063
CC[C@@H](c1nnnn1C1CCCCC1)[NH+](CCc1cccc(C)c1)Cc1cc2cccc(C)c2[nH]c1=O,C13495925_decoy,ITAL,Decoy,0,-9.82888,-9.55,-4.39,-10.57535290561263
Cc1cc2cc(C[NH+](C3CCCCC3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2cc1C,C13498893_decoy,ITAL,Decoy,0,-9.91418,-9.31,-2.0,-11.318757626421032
CCOC(=O)c1oc2c(C[NH+]3[C@@H](C)CCC[C@@H]3C)c(O)c(CC)cc2c(=O)c1-c1nc2ccccc2s1,C01817566_decoy,ITAL,Decoy,0,-9.69736,-4.87,-3.32,-6.9558025534047525
CCCc1nc(N2CC[NH+](CC(=O)NC(c3ccccc3)c3ccccc3)CC2)c(C#N)c2c1CCC2,C13609950_decoy,ITAL,Decoy,0,-7.77797,-8.07,-3.68,-7.272499119910134
CCC[NH+]1CCC(CN2C(=S)N(c3ccc(C)cc3)C(=O)[C@H]2CC(=O)Nc2ccc(F)cc2)CC1,C20595075_decoy,ITAL,Decoy,0,-10.0535,-8.25,-3.56,-11.031566066514554
CCOC(=O)c1oc2cccc(OC[C@@H](O)C[NH+]3CCn4c5c(c6cc(C)ccc64)CCC[C@@H]53)c2c1C,C23549918_decoy,ITAL,Decoy,0,-9.67006,-7.19,-2.35,-7.429033054575263
CCOC(=O)c1ccc(Oc2coc3c(C[NH+]4CCCC[C@@H]4c4cccs4)c(O)ccc3c2=O)cc1,C27100098_decoy,ITAL,Decoy,0,-8.83433,-7.5,-3.15,-7.914951191933359
O=[N+]([O-])c1cccc(CNc2ccc(C[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)cc2)c1,C27528957_decoy,ITAL,Decoy,0,-8.31414,-9.83,-3.51,-7.507368812321584
CCOc1ccc([C@@H](CNC(=O)c2cc(-c3ccc(Br)cc3)on2)[NH+]2CCCCC2)cc1,C28296070_decoy,ITAL,Decoy,0,-7.24581,-8.88,-1.79,-7.130279487513644
Cc1ccccc1-c1noc(C[NH+]2CCC(C(=O)Nc3cccc(OCCc4ccccc4)c3)CC2)n1,C30973889_decoy,ITAL,Decoy,0,-8.4221,-9.2,-3.26,-7.4385254637313185
C=CCSc1nc(N2CC[NH+](CC(=O)Nc3ccc(OC)cc3)CC2)c2c3c(sc2n1)CCCC3,C34756053_decoy,ITAL,Decoy,0,-9.09486,-5.46,-1.98,-6.207560584302978
Cc1ccc(NC(=O)C[NH+]2CCN(c3nc(SCC(C)C)nc4sc5c(c34)CCC5)CC2)cc1,C34757345_decoy,ITAL,Decoy,0,-9.81235,-8.35,-1.75,-7.70797737368047
Cc1ccccc1NC(=O)CSc1nc(N2CC[NH+](CC(C)C)CC2)c2c3c(sc2n1)CCC3,C34758017_decoy,ITAL,Decoy,0,-8.68493,-5.22,-3.19,-5.696336728274407
C=CCSc1nc(N2CC[NH+](CC(=O)Nc3ccc(OC)cc3)CC2)c2c(CC)c(C)sc2n1,C34761222_decoy,ITAL,Decoy,0,-8.802,-5.1,-1.41,-6.055552934826065
COc1ccc(NC(=O)C[NH+]2CCN(c3nc(SC)nc4scc(-c5ccccc5)c34)CC2)cc1,C34774116_decoy,ITAL,Decoy,0,-9.73021,-7.49,-2.27,-7.867208758684361
Cc1ccc(N(C)c2nc(-c3ccccc3)ncc2C(=O)NC2CC[NH+](Cc3ccccc3)CC2)cc1,C34922109_decoy,ITAL,Decoy,0,-9.96848,-5.78,-3.2,-6.726167907303916
COc1ccc(-c2cc(C(=O)NCCC[NH+]3CCCC[C@H]3C)n(-c3ccc(C)cc3C)n2)c(OC)c1,C35274258_decoy,ITAL,Decoy,0,-7.92321,-7.53,-3.17,-7.834436313269503
Cc1ccc(-n2nc(CN(C)C(=O)NC3CCCCC3)c3c2CC[NH+](Cc2ccc(F)cc2)C3)cc1,C35927978_decoy,ITAL,Decoy,0,-8.45491,-7.88,-2.31,-8.288224749798044
CN(c1onc(-c2ccccc2)c1CN(CC[NH+](C)C)C(=O)Nc1cccc(Cl)c1)C1CCCCC1,C36249649_decoy,ITAL,Decoy,0,-8.3414,-7.73,,99.0
Cc1cccc(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C[C@H](O)C[NH+]3CCCCC3)CC2)c1,C36340602_decoy,ITAL,Decoy,0,-8.97967,-8.48,-2.26,-9.667583380823013
COc1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(OC)cc2)N2NC(SC)=NC2=[NH+]3)cc1,C09500473_decoy,ITAL,Decoy,0,-8.96548,-4.42,-1.1,-5.221442464683401
COc1ccc(OC)c([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2NC(SC)=NC2=[NH+]3)c1,C09345280_decoy,ITAL,Decoy,0,-9.41779,-5.08,-2.72,-5.769790716966254
Cc1cc(C)c(NC(=O)C[NH+]2CCC(Cn3c(COc4ccccc4)nc4ccccc43)CC2)c(C)c1,C38535825_decoy,ITAL,Decoy,0,-8.50869,-9.99,-3.43,-8.867399689839864
O=C(C[NH+]1CCC(Cn2c(COc3ccccc3)nc3ccccc32)CC1)NCc1ccccc1Cl,C38535835_decoy,ITAL,Decoy,0,-9.61092,-10.0,-4.19,-9.713839708033651
Cc1ccccc1-c1noc(C[NH+]2CCC[C@@H](C(=O)Nc3cccc(OCCc4ccccc4)c3)C2)n1,C38887556_decoy,ITAL,Decoy,0,-8.90202,-9.1,-4.89,-7.382530701606897
CC(C)[NH+]1CCC2(CC1)CC(=O)c1cc(-c3cccc(C(=O)NCCOc4ccccc4)c3)ccc1O2,C39227504_decoy,ITAL,Decoy,0,-7.91868,-8.73,-3.34,-6.930223540081267
C[C@H](S[C@@H]1NN=C(C2=c3ccccc3=[NH+]C2)N1c1ccc(Cl)cc1)c1nnc(-c2ccccc2)o1,C39586079_decoy,ITAL,Decoy,0,-7.99176,-9.98,-4.28,-8.188731067791133
CCOC(=O)[C@@H]1C2=C(CCCC2)S[C@@H]1/[NH+]=c1\oc2c(OC)cccc2cc1-c1nc2ccccc2[nH]1,C39777979_decoy,ITAL,Decoy,0,-7.72553,-5.51,-3.97,-4.356780189279927
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccc(C)cc2C)cc1,C44857262_decoy,ITAL,Decoy,0,-8.67717,-9.18,-3.5,-10.295086620833606
Cc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccc(C)c(C)c2)cc1,C44857265_decoy,ITAL,Decoy,0,-7.65505,-9.57,-2.64,-9.637054255668495
CCc1ccc(CCOc2cc3c(cc2OC)[C@H]2[NH+]=NC(c4ccc(-c5ccc(O)cc5)cc4)=C2C3)nc1,C52636952_decoy,ITAL,Decoy,0,-9.32065,-9.25,-3.73,-8.006937803513091
CCn1cc(/C=C2/Oc3c(C[NH+](CC(C)C)CC(C)C)c(O)cc(C)c3C2=O)c2cc(OC)ccc21,C41513677_decoy,ITAL,Decoy,0,-9.24593,-7.58,-3.72,-8.30114562462766
CCOc1ccc(Cl)cc1S(=O)(=O)NCCC1=c2cc(OC(F)(F)Cl)ccc2=[NH+][C@@H]1C,C63521160_decoy,ITAL,Decoy,0,-8.39061,-8.38,-2.34,-9.610626930942145
CCOc1ccc(Cl)cc1S(=O)(=O)NCCC1=c2cc(OC(F)(F)Cl)ccc2=[NH+][C@H]1C,C63521163_decoy,ITAL,Decoy,0,-8.5713,-8.2,-2.84,-10.233589893373964
CCOC(=O)c1ccccc1NC(=O)N1CCC2=c3cc(Cl)ccc3=[NH+][C@@H]2[C@H]1c1ccc(F)cc1,C63572445_decoy,ITAL,Decoy,0,-7.09019,-6.45,-1.43,-6.695266391856604
Cc1ccc(C)c(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@@H]2Nc2ccc(Oc3ccccc3)cc2)c1,C38965731_decoy,ITAL,Decoy,0,-7.22552,-9.27,-3.71,-7.968552620796897
O=S(=O)(/N=C1\N=c2ccccc2=[NH+][C@H]1NCc1ccccc1Cl)c1cc(Cl)ccc1Cl,C38975798_decoy,ITAL,Decoy,0,-9.07949,-10.12,-1.64,-10.14962519508657
Cc1ccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@H]2Nc2ccc(OCc3ccccc3)cc2)cc1,C38979428_decoy,ITAL,Decoy,0,-8.07262,-6.9,-4.84,-6.5268152007341
Cc1ccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@@H]2Nc2ccc(OCc3ccccc3)cc2)cc1,C38979429_decoy,ITAL,Decoy,0,-9.16888,-9.54,-2.81,-10.635137117555184
CCOC(=O)Cc1ccc(NC(=O)N2CCC3=c4cc(OC)ccc4=[NH+][C@H]3[C@@H]2c2ccc(C)cc2)cc1,C64623249_decoy,ITAL,Decoy,0,-7.09474,-3.97,-1.53,-4.823303440121819
CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(Cc3ccccc3)C2=O)ccc1OCC(=O)[O-],C08952073_decoy,ITAL,Decoy,0,-8.11444,-6.98,-1.46,-6.776910445821905
CCOc1c(Br)cc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OC,C09296007_decoy,ITAL,Decoy,0,-7.97206,-6.45,-2.77,-6.148051567371776
O=C([O-])c1sc2cccc(F)c2c1CSc1nc2ccccc2c(=O)n1Cc1ccc(F)cc1,C13256464_decoy,ITAL,Decoy,0,-9.64521,-10.25,-2.83,-11.069822151003098
CC(C)[C@H](C(=O)[O-])n1c(SCc2cc(=O)oc3ccc4ccccc4c23)nnc1-c1cccs1,C13271633_decoy,ITAL,Decoy,0,-8.20505,-5.47,-2.96,-5.139627111863589
CCCC1=NN(c2ccc(C(=O)[O-])cc2)C(=O)/C1=C\c1cc(OCC)c(OC(C)C)cc1Br,C13915584_decoy,ITAL,Decoy,0,-8.76431,-5.34,-2.37,-6.125035093646133
CCOc1ccc(/N=C2\S/C(=C\c3ccc(-c4ccc(Cl)c(C(=O)[O-])c4)o3)C(=O)N2CC)cc1,C15009997_decoy,ITAL,Decoy,0,-7.75911,-7.77,-1.9,-5.959937071306998
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2Cl)cc1,C06195125_decoy,ITAL,Decoy,0,-7.77753,-5.91,-2.17,-6.214524482514795
COc1ccc(-c2cc(-c3ccc(C)cc3)nc(-c3ccc4c(c3)N(CCC(=O)[O-])C(=O)CO4)c2)cc1,C19862809_decoy,ITAL,Decoy,0,-7.42645,-6.06,-3.16,-5.900349547961191
[O-]c1nc(/C=C/c2cn(Cc3ccc(Cl)cc3Cl)nc2-c2ccccc2)cc(C(F)(F)F)n1,C20058966_decoy,ITAL,Decoy,0,-9.32502,-8.1,-2.63,-8.682745929250919
COc1ccc(OC)c([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)c1,C09045235_decoy,ITAL,Decoy,0,-8.51677,-8.42,-3.83,-8.618686675890581
O=[N+]([O-])c1ccc(Oc2c(Cl)cc(S(=O)(=O)[N-]c3ccc(F)cc3)cc2Cl)c(Cl)c1,C01037954_decoy,ITAL,Decoy,0,-8.40908,-8.26,-2.22,-9.72811560599283
Cn1c([O-])c(C(=O)/C=C/C[C@H](c2ccccc2)N(c2ccccc2)c2ccccc2)c(=O)c2ccccc21,C04235435_decoy,ITAL,Decoy,0,-9.16811,-10.3,-1.56,-12.42246738406249
CCCCOc1cccc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)c1,C33374648_decoy,ITAL,Decoy,0,-8.78591,-7.59,,99.0
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(C(C)C)cc2)nc1C,C01152945_decoy,ITAL,Decoy,0,-7.83676,-4.26,-3.15,-5.619939147774395
CCCCOc1cccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)c1,C33517303_decoy,ITAL,Decoy,0,-8.87707,-8.16,-2.29,-9.11799975150008
Cc1cc(C)c2nc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@@H]3c3cccc(OCCC(C)C)c3)sc2c1,C33525801_decoy,ITAL,Decoy,0,-9.13408,-9.1,-2.95,-8.901482768037493
CCCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1,C33534981_decoy,ITAL,Decoy,0,-9.47857,-7.72,-1.4,-8.28705130430759
CCOc1cc(/C=C2/SC([N-]c3ccc(F)cc3)=NC2=O)cc(Br)c1O[C@@H](C)CC,C15231344_decoy,ITAL,Decoy,0,-8.45728,-6.67,-3.47,-7.122131365439068
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2ccccc2F)cc1C,C08827730_decoy,ITAL,Decoy,0,-8.20052,-5.68,-2.25,-5.18962857171453
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)c(OC)c1,C00719239_decoy,ITAL,Decoy,0,-7.86068,-5.37,-1.83,-5.378451392223295
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@@H]2c2cccs2)c1,C34942518_decoy,ITAL,Decoy,0,-9.5236,-8.7,-3.29,-8.641604051744173
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2ccco2)c1,C34942702_decoy,ITAL,Decoy,0,-8.77845,-6.24,-2.31,-9.060496715077788
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2ccc(C)o2)c1,C34942808_decoy,ITAL,Decoy,0,-8.86852,-9.24,-1.86,-8.167418208918052
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(\C#N)c2nc([O-])c3ccccc3n2)cc1C,C34983908_decoy,ITAL,Decoy,0,-8.45727,-6.5,-2.39,-7.267604746172353
COc1cccc([C@@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)c1,C35421794_decoy,ITAL,Decoy,0,-8.25822,-5.37,-2.11,-5.304541040472425
CC(C)c1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc1,C35559904_decoy,ITAL,Decoy,0,-8.26166,-5.62,-3.04,-5.543230453160972
Cc1ccc(N2C(=O)CS[C@H]2c2cccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)c2)cc1,C35561206_decoy,ITAL,Decoy,0,-8.28566,-9.57,-3.15,-8.40492961684269
CCOc1cc(/C=C2\S/C(=N\c3ccc(C(=O)[O-])cc3)N(CC)C2=O)ccc1OCc1cccc(F)c1,C35656424_decoy,ITAL,Decoy,0,-8.63945,-7.92,-2.13,-9.055694795281646
CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)ccc1OCc1ccccc1F,C35669327_decoy,ITAL,Decoy,0,-8.7291,-8.01,-3.79,-9.617421904853815
CCOc1cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)ccc1OCc1cccc(F)c1,C35669427_decoy,ITAL,Decoy,0,-9.55401,-7.55,-1.82,-9.14950999180654
Cc1ccccc1[C@H]1CC(c2ccccc2[N-]S(=O)(=O)c2ccccc2)=NN1C(=O)c1ccccc1,C35684005_decoy,ITAL,Decoy,0,-7.99192,-8.22,-2.98,-7.915513057303399
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])N(CC)CC)N2[C@H]1c1cc(C)ccc1C,C35705094_decoy,ITAL,Decoy,0,-8.56213,-5.62,,99.0
CCc1nn(-c2ccc(Cl)c(Cl)c2)c([O-])c1C1=C(N(C)CC)C(=O)N(C2CCCCC2)C1=O,C35963610_decoy,ITAL,Decoy,0,-8.14598,-7.3,-2.58,-7.330659341622066
CC[C@@H](C)c1ccc(N2C(=O)/C(=C\c3cn(CCOc4ccccc4C)c4ccccc34)C(=O)N=C2[O-])cc1,C36548428_decoy,ITAL,Decoy,0,-8.47978,-7.57,-2.51,-7.154472737058248
CCOc1ccc(/N=C2/N=C([O-])S/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)cc1,C35516301_decoy,ITAL,Decoy,0,-8.40829,-5.08,-2.68,-5.116759297781603
CCCSc1nnc(/N=C([O-])/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)s1,C39998030_decoy,ITAL,Decoy,0,-8.23634,-4.94,-4.14,-5.570787294453744
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@H]2c2ccc(C)cc2)cc1C,C40000189_decoy,ITAL,Decoy,0,-8.59348,-8.36,-1.73,-8.702828508284199
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SC)s3)[C@@H]2c2ccc(C(C)C)cc2)cc1,C40003146_decoy,ITAL,Decoy,0,-9.98885,-8.32,-3.31,-12.902587611937395
CCCCCn1c([O-])c(C(=O)/C=C/c2cn(-c3ccccc3)nc2-c2ccccc2)c(C)c(C#N)c1=O,C40522442_decoy,ITAL,Decoy,0,-8.67771,-7.71,-3.67,-7.233266471724992
C[C@@H](CCC(=O)[O-])[C@H]1CC[C@H]2[C@H]3CC[C@H]4CC(=O)CC[C@@]4(C)[C@@H]3C[C@H](OC(=O)c3ccccc3)[C@@]12C,C43866894_decoy,ITAL,Decoy,0,-8.60379,-9.85,-1.73,-8.761954135635403
CCCO/C([O-])=C1\C(C)=NC(c2ccccc2)=C(C(=O)OCc2ccccc2)[C@H]1C#Cc1ccccc1,C26578551_decoy,ITAL,Decoy,0,-8.61777,-8.24,-1.96,-8.083796244622167
C=CCOc1ccc(/C=C2\SC(=N\c3ccc(C)cc3)/C(=C(\[O-])OCC)C2=O)cc1Br,C59105496_decoy,ITAL,Decoy,0,-8.53776,-6.47,-1.98,-8.664333170624674
CC1=CC(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2[O-])=C(C)[C@H]1c1ccc(OCc2ccccc2)cc1,C59136197_decoy,ITAL,Decoy,0,-9.69777,-8.66,-2.75,-7.335390676823822
CCOC(=O)C1=C([O-])/C(=C/c2ccc(OCC)c(Br)c2)S/C1=N\c1ccc(OCC)cc1,C59247564_decoy,ITAL,Decoy,0,-8.52703,-7.36,-1.68,-9.57940756587838
CCOC(=O)C1=C([O-])/C(=C/c2cc(C)n(-c3ccc(OC)cc3)c2C)S/C1=N\c1ccc(OCC)cc1,C59364595_decoy,ITAL,Decoy,0,-8.50171,-7.63,-2.57,-7.07950740903244
CCO/C([O-])=C1\C(=O)/C(=C/c2ccc(OCc3ccc(F)cc3)cc2)S\C1=N/c1ccc(Cl)cc1,C59364858_decoy,ITAL,Decoy,0,-8.62329,-6.27,-3.4,-6.740216596827127
C=CCOc1c(Br)cc(/C=C2/S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OCC,C35669294_decoy,ITAL,Decoy,0,-9.41467,-7.06,-3.21,-10.85121065181112
CCOc1cc(/C=C2/S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCc1ccccc1F,C35656530_decoy,ITAL,Decoy,0,-8.13462,-7.38,-1.83,-9.3285114787528
CCOc1ccc([C@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@@H]32)cc1,C39731580_decoy,ITAL,Decoy,0,-9.23665,-8.3,-2.12,-8.003017765608908
CC[C@@H](C)c1ccc(OCCn2cccc2/C=C2\C(=O)N=C([O-])N(c3ccc(C)c(Cl)c3)C2=O)cc1,C17196490_decoy,ITAL,Decoy,0,-7.55353,-9.76,-2.52,-7.779233972209807
Cc1ccc(C(=O)[O-])cc1NC1=NC(=O)/C(=C\c2ccc(-c3ccc(Br)cc3)o2)S1,C08821835_decoy,ITAL,Decoy,0,-9.08722,-7.22,-3.08,-6.259525936762246
CCCC/C(=C\c1cc(I)c(O)c(I)c1)C(=O)[O-],C11592475_decoy,ITAL,Decoy,0,-8.45752,-6.09,-1.87,-8.426890345211
O=C([O-])c1ccc2c(c1)[C@@H]1[C@H](Cl)[C@H](Sc3ccccc3[N+](=O)[O-])C[C@H]1[C@H](c1ccc(F)cc1)N2,C12375675_decoy,ITAL,Decoy,0,-3.85551,-6.21,-2.46,-3.2940412659364187
CC1(C)CC[C@@]23CC[C@]4(C)[C@H](CC[C@@H]5[C@@]6(C)CC[C@@H](OC(=O)CCC(=O)[O-])C(C)(C)[C@@H]6CC[C@]54C)[C@@H]2[C@@H]1OC3,C12659371_decoy,ITAL,Decoy,0,-7.80505,-7.07,-3.57,-6.232639586516434
C#CCOc1ccc(Br)cc1/C=C1\S/C(=N\c2ccc(C(=O)[O-])cc2)N(C)C1=O,C15010999_decoy,ITAL,Decoy,0,-9.80477,-7.03,-1.24,-11.67907585900108
CCc1ccccc1/N=C1\S/C(=C\c2ccccc2OCC(=O)[O-])C(=O)N1c1ccccc1CC,C15015896_decoy,ITAL,Decoy,0,-7.1567,-4.89,-3.6,-5.284783928730112
CC(C)(C)c1ccc(C(=O)Nc2scc(-c3ccc(Br)cc3)c2C(=O)[O-])cc1,C02060182_decoy,ITAL,Decoy,0,-6.19143,-4.56,-3.02,-4.143056294274326
C=CCN1C(=O)/C(=C/c2ccc(Br)cc2)S/C1=N\c1ccc(O)cc1C(=O)[O-],C16927037_decoy,ITAL,Decoy,0,-8.10982,-7.74,-2.36,-7.084430306937033
Cc1ccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Br)cc2C)cc1,C17206000_decoy,ITAL,Decoy,0,-8.45017,-9.19,-3.2,-8.223243619130379
Cc1cccc(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2cccc(Br)c2)c1,C17249247_decoy,ITAL,Decoy,0,-9.42696,-9.54,-2.59,-8.672429898536393
O=S(=O)([N-]c1nc2ccccc2nc1Nc1ccccc1F)c1cc(Cl)ccc1Cl,C17209237_decoy,ITAL,Decoy,0,-10.0485,-9.96,-3.66,-9.23870651376923
Cc1ccc2c(c1)-c1nc(SCC(=O)NCCc3ccccc3)nc([O-])c1C1(CCCCC1)C2,C17124780_decoy,ITAL,Decoy,0,-7.91622,-8.02,-3.51,-8.999628328876504
CCOc1ccc([C@@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)cc1,C22781287_decoy,ITAL,Decoy,0,-8.94925,-5.04,-2.31,-5.461853994595423
Cc1ccc2oc(-c3cc(/N=C/c4cc(Cc5ccccc5)cc(Br)c4[O-])ccc3O)nc2c1,C01947855_decoy,ITAL,Decoy,0,-8.52826,-11.15,-2.45,-7.78756466376163
O=C(CSc1nc([S-])c2ccccc2n1)Nc1cc(C(F)(F)F)cc(C(F)(F)F)c1,C13131740_decoy,ITAL,Decoy,0,-8.31984,-9.56,-3.14,-8.146714123522745
FC(F)(F)c1ccc(Cl)c(-n2c([S-])nnc2Cn2c(-c3ccccn3)nc3ccccc32)c1,C09450995_decoy,ITAL,Decoy,0,-8.26829,-8.62,-3.09,-7.375188501658254
CC1=C(C(=O)OC(C)C)[C@@H](c2cc(C)ccc2C)N2C(/C=C(\[O-])N(C)Cc3ccccc3)=CSC2=N1,C36071825_decoy,ITAL,Decoy,0,-8.74483,-6.06,-2.23,-7.087370683287359
O=S(=O)([N-]c1nc2ccccc2nc1Nc1cc(Cl)cc(Cl)c1)c1cccs1,C17209449_decoy,ITAL,Decoy,0,-9.71033,-9.4,-1.58,-10.319079758335018
Cc1ccc(SCc2cc([O-])nc(SCC(=O)n3c4ccccc4c4ccccc43)n2)cc1,C09434857_decoy,ITAL,Decoy,0,-9.11058,-9.07,-3.37,-8.446789919931236
C=CCc1cccc([C@H]2CC(c3c([O-])cc(C)oc3=O)=Nc3cc(C(F)(F)F)ccc3S2)c1O,C13739557_decoy,ITAL,Decoy,0,-9.55349,-7.81,-3.33,-7.420600251790753
CCCCOc1c(Cl)cc(C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)CC)c2[O-])cc1Cl,C38617411_decoy,ITAL,Decoy,0,-7.79879,-7.01,-3.28,-6.974138819982554
Cc1cc(NC(=O)Cc2c(C)nc(S[C@@H](C)c3ccccc3)nc2[O-])ccc1Br,C38899476_decoy,ITAL,Decoy,0,-8.05098,-7.04,-1.83,-6.29354351956222
C=CCOc1ccccc1/C=C1\S/C(=N/c2cccc(C(=O)[O-])c2)N(c2ccccc2)C1=O,C39866730_decoy,ITAL,Decoy,0,-9.5476,-8.75,-2.61,-9.142589476492947
CCc1ccccc1N1C([S-])=C(C#N)C(=O)N[C@H]1c1ccc(-c2cccc(C(F)(F)F)c2)o1,C39887407_decoy,ITAL,Decoy,0,-8.24063,-7.84,-2.43,-7.013870425453284
CC(C)CCC[C@@H](C)[C@@H]1CC[C@H]2[C@@H]3[C@@H](CC[C@@]21C)[C@@]1(C)CC[C@H](O)CC1=C[C@H]3OCC(=O)[O-],C34715571_decoy,ITAL,Decoy,0,-8.74405,-8.86,-3.4,-11.323893325173014
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2C)[C@H]1c1ccc(C(C)(C)C)cc1,C40084527_decoy,ITAL,Decoy,0,-8.08889,-8.65,-1.53,-8.517304937776915
CCc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2Cc2ccc(C)cc2)cc1,C39898922_decoy,ITAL,Decoy,0,-9.43664,-9.04,-1.95,-10.391350590140355
CCCCOc1ccc(/C=C(C#N)/C([O-])=N/c2nc(-c3ccc(-c4ccccc4)cc3)cs2)cc1,C40882531_decoy,ITAL,Decoy,0,-7.84375,-5.71,-2.63,-5.118987051698159
COC(=O)c1ccc(-c2nn(-c3cccc(Br)c3)c(-c3ccccc3)c2C(=O)[O-])cc1,C43226221_decoy,ITAL,Decoy,0,-7.69045,-9.09,-1.9,-10.347903412031384
C[C@@H](CCc1nc2ccccc2s1)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](OCCC(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@]21C,C43764339_decoy,ITAL,Decoy,0,-8.05097,-9.59,-3.72,-7.4107931609396305
C[C@@H](CCc1nc2ccccc2s1)[C@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@@H](OCCC(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@@]12C,C43764341_decoy,ITAL,Decoy,0,-8.33664,-8.38,-3.08,-6.857522136846748
Cc1ccc(S(=O)(=O)[N-]c2ccc(C(=O)Nc3ccc(Cl)cc3C(F)(F)F)c(Cl)c2)cc1,C44839347_decoy,ITAL,Decoy,0,-8.24676,-7.85,-1.98,-8.919030188204056
CCOc1ccccc1-c1nc(CSc2nc([O-])cc(-c3cccc(Cl)c3)n2)c(C)o1,C45924743_decoy,ITAL,Decoy,0,-8.62611,-8.94,-2.02,-8.33407936583981
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccccc4)nc([O-])c32)cc1,C01221290_decoy,ITAL,Decoy,0,-8.77157,-6.15,-2.84,-5.719780803130911
CO/C([O-])=C1/C(c2ccc(Cl)cc2)=NC(=S)N[C@@H]1c1ccc(OCc2ccc(F)cc2)cc1,C59227829_decoy,ITAL,Decoy,0,-9.25569,-6.0,-1.67,-6.080387101177059
CCOC(=O)C1=C([O-])/C(=C/c2ccc(N(CC)CC)cc2)S/C1=N\c1ccc(CC)cc1,C59247653_decoy,ITAL,Decoy,0,-7.08004,-7.73,,99.0
CCOC(=O)C1=C([O-])/C(=C/c2cn(Cc3cccc(F)c3)c3ccccc23)S/C1=N\c1ccc(CC)cc1,C59364713_decoy,ITAL,Decoy,0,-8.88976,-9.41,-2.06,-10.509230087604582
CCOC(=O)C1=C([O-])/C(=C/c2c(OC)ccc3ccc(OC)cc23)S/C1=N\c1ccc(CC)cc1,C59364822_decoy,ITAL,Decoy,0,-8.90569,-8.12,-2.98,-10.11370071572794
CC(C)(C)c1ccc(OCC(=O)Nc2ccc(I)cc2C(=O)[O-])cc1,C59422768_decoy,ITAL,Decoy,0,-7.72349,-5.43,-2.31,-5.617437904312713
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3nc(SCc4ccc(F)c5ccccc45)sc3c2)c1,C59488368_decoy,ITAL,Decoy,0,-7.57859,-9.92,-2.85,-6.840577692346844
C#CCOc1ccc(/C=C2/S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1Br,C59599692_decoy,ITAL,Decoy,0,-7.56469,-6.74,-2.2,-5.796212313398769
Cc1ccc(S(=O)(=O)[N-]c2ccccc2/C=N/c2ccc(I)cc2)cc1,C59946630_decoy,ITAL,Decoy,0,-7.88888,-8.8,-3.8,-8.869986625778196
C[C@@H]1CCCCCCCCCC/C1=N\[N-]C1=NC(=O)[C@H](CC(=O)Nc2cccc(F)c2)S1,C22506168_decoy,ITAL,Decoy,0,-8.24046,-8.82,-1.68,-9.944747825668832
C[C@@H]1CCCCCCCCCC/C1=N\[N-]C1=NC(=O)[C@@H](CC(=O)Nc2cccc(F)c2)S1,C22506158_decoy,ITAL,Decoy,0,-8.5941,-9.29,-3.1,-7.690585561681173
CCOc1ccc([N-]C2=NC(=O)/C(=C/c3cc(Cl)cc(Br)c3O)S2)cc1,C18193748_decoy,ITAL,Decoy,0,-7.91934,-4.75,-1.82,-4.960731582232988
CN(C)c1ccc([C@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCc4ccccc4F)=NC(=O)[C@H]32)cc1,C39730356_decoy,ITAL,Decoy,0,-9.57491,-5.26,-2.15,-5.844572589428722
[O-]C(/C=C/c1ccc(F)cc1)=N\C1=NN2C(=NC(c3ccc(Cl)cc3)=C[C@@H]2c2ccc(F)cc2)N1,C02249520_decoy,ITAL,Decoy,0,-7.72873,-8.49,-0.84,-6.155996708132439
COc1ccc([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCc4cccc(F)c4)=NC(=O)[C@@H]32)cc1,C63467799_decoy,ITAL,Decoy,0,-8.65572,-6.44,-1.66,-6.611576500186697
C/C(=N\CCc1c(C)[nH]c2ccc(OC(F)(F)F)cc12)C1=C([O-])C[C@@H](c2ccccc2)CC1=O,C13572750_decoy,ITAL,Decoy,0,-7.2131,-9.57,-2.89,-7.330760724806479
Cc1ccc(C)c(S(=O)(=O)[N-]c2nc3ccccc3nc2Nc2ccc(Cl)c(Cl)c2)c1,C17209381_decoy,ITAL,Decoy,0,-8.06762,-9.03,-2.97,-7.7222357439845375
COCCn1c(SCc2ccc(Br)cc2F)nc2sc3c(c2c1=O)CCCC3,C03292913_decoy,ITAL,Decoy,0,-10.5801,-7.43,-3.94,-10.189281118621256
CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2ccc(C(F)(F)F)cc2)C1C(=O)OC1CCCC1,C08439845_decoy,ITAL,Decoy,0,-9.46849,-5.79,,99.0
CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2ccc(C(F)(F)F)cc2)C1C(=O)OC1CCCC1,C08439847_decoy,ITAL,Decoy,0,-8.79317,-5.27,-2.77,-5.803748529172212
COc1cc(C=C2C(=O)c3ccccc3C2=O)cc(Br)c1OCc1cccc(F)c1,C00980600_decoy,ITAL,Decoy,0,-8.22733,-8.61,-3.78,-7.18863674459921
FC(F)(F)c1cnc(-n2nc(-c3ccc(Cl)cc3)c3ncc(C(F)(F)F)cc32)c(Cl)c1,C03134905_decoy,ITAL,Decoy,0,-8.73884,-6.55,-3.75,-5.702375792678169
O=C1/C(=C/c2ccccc2F)SC(=S)N1CCC(=O)N1c2ccccc2Sc2ccccc21,C08819280_decoy,ITAL,Decoy,0,-7.52432,-9.95,-3.66,-9.261428717776663
COc1ccc(-n2c(/C=C/c3cccc(C)c3)nc3ccc(I)cc3c2=O)cc1,C09019188_decoy,ITAL,Decoy,0,-9.16634,-4.91,-3.04,-5.658814637961068
O=C(CSc1nn(-c2ccccc2)c(=S)s1)N1c2ccccc2Sc2ccccc21,C02241285_decoy,ITAL,Decoy,0,-7.07092,-9.78,-2.71,-8.90188238586754
O=C1/C(=C/c2ccccc2Br)Oc2cc(OCc3c(F)c(F)c(F)c(F)c3F)ccc21,C02399599_decoy,ITAL,Decoy,0,-7.8242,-9.7,-2.85,-7.080016414632377
CC(C)c1nc2sc3c(SCc4ccc(Br)cc4)ncnc3c2c2c1CCC2,C02251021_decoy,ITAL,Decoy,0,-10.0444,-7.11,-2.37,-8.285137170787161
O=C(c1ccc2c(c1)CCCC2)N(Cc1ccccn1)c1nc2ccc(Br)cc2s1,C09402300_decoy,ITAL,Decoy,0,-9.88407,-7.05,-1.69,-8.092768428464204
COCCn1/c(=N/C(=O)c2ccccc2I)sc2ccc(Cl)c(C)c21,C09764562_decoy,ITAL,Decoy,0,-8.60814,-7.84,-1.7,-13.196682055162055
Cc1ccc(OCC(=O)Oc2c(C)cc(Br)cc2Br)c(Br)c1,C12482028_decoy,ITAL,Decoy,0,-8.8707,-7.26,-1.78,-9.719268084237006
COCCn1/c(=N/C(=O)c2ccccc2I)sc2cc(C)c(C)cc21,C09510460_decoy,ITAL,Decoy,0,-8.57055,-4.24,-1.6,-4.946737035034269
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3C(=O)[C@H](Br)[C@@H]4CCCC[C@]4(C)[C@@H]3CC[C@@]21C,C13409104_decoy,ITAL,Decoy,0,-8.72084,-7.63,-1.61,-7.533555795038625
N#Cc1ccc(CSc2nc3c(c(-c4cccs4)c2C#N)CC/C3=C/c2cccs2)cc1,C12524762_decoy,ITAL,Decoy,0,-9.01731,-6.67,,99.0
C=CCOc1c(Br)cc(Br)cc1/C=c1/sc2nc3ccccc3n2c1=O,C13576979_decoy,ITAL,Decoy,0,-10.1136,-8.98,-3.03,-10.254419712691238
N#CC1=C2C=CC=CN2[C@](c2ccccc2)(C(F)(F)F)N=C1SCc1ccc(Cl)cc1Cl,C14181615_decoy,ITAL,Decoy,0,-8.72225,-8.48,-2.84,-8.413326413079979
COC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@H]1c1cc(Br)ccc1F,C16293891_decoy,ITAL,Decoy,0,-9.52643,-5.11,-2.01,-5.355231984333905
CSc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1,C03612362_decoy,ITAL,Decoy,0,-9.99298,-7.18,-2.52,-7.042561726203616
CCCN1C(=O)/C(=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c2cc(Br)ccc21,C16730051_decoy,ITAL,Decoy,0,-9.24664,-4.24,-3.69,-5.139935572073821
CN1CCc2c(sc3nc(SCc4ccc(F)cc4)n(CCc4ccccc4)c(=O)c23)C1,C16115719_decoy,ITAL,Decoy,0,-9.46714,-6.74,,99.0
O=C1C[C@H]2Sc3ccccc3N=C2N(Cc2ccccc2)N1Cc1cccc(C(F)(F)F)c1,C20030963_decoy,ITAL,Decoy,0,-7.76849,-10.28,-3.62,-8.252111364641445
FC(F)(F)C1(C(F)(F)F)N=C(CCc2ccccc2)N(Cc2ccccc2)C(c2ccccc2)=N1,C21032133_decoy,ITAL,Decoy,0,-8.44941,-10.44,-3.83,-11.10317763508798
Cc1c(Cl)ccc2sc(N(Cc3ccco3)C(=O)c3ccc(Br)s3)nc12,C22901911_decoy,ITAL,Decoy,0,-10.3584,-7.85,-2.1,-9.634823187344372
Cc1cccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccccc3s2)c1I,C31680598_decoy,ITAL,Decoy,0,-9.68327,-4.39,-1.52,-5.327449355478392
O=S1(=O)C[C@@H]2[C@@H](C1)N=C(SCc1ccc(Cl)cc1)N2c1cc(C(F)(F)F)ccc1Cl,C32639676_decoy,ITAL,Decoy,0,-10.1294,-8.2,-2.66,-8.500117330298194
Cc1ccc(-n2c(=S)sc3c(=O)n(C)c(SCc4cccc(C(F)(F)F)c4)nc32)cc1,C32952669_decoy,ITAL,Decoy,0,-7.6783,-8.62,-2.65,-8.052358355493553
CC(C)(C)c1ccc(S(=O)(=O)O[C@H]2CC[C@]3(C)[C@@H](CC[C@H]4[C@H]5CCC(=O)[C@]5(C)CC[C@@H]43)C2)cc1,C34903446_decoy,ITAL,Decoy,0,-8.37633,-7.45,-2.85,-5.931905173356145
O=C1/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC(=S)N1Cc1ccccc1,C35446958_decoy,ITAL,Decoy,0,-8.64153,-5.79,-4.14,-6.035778576841023
CN(Cc1ccccc1)C(=O)c1cc2scc(Br)c2n1Cc1ccc(F)cc1F,C37542318_decoy,ITAL,Decoy,0,-9.99726,-8.31,,99.0
CC(C)(C)c1ccc(OC(=O)c2cc3cc(Br)cc(Br)c3oc2=O)cc1,C38710999_decoy,ITAL,Decoy,0,-8.49693,-4.87,-3.07,-4.644972354213003
Cc1nc(-c2cccs2)sc1-c1ccc(SCc2csc(-c3ccccc3)n2)nn1,C38719687_decoy,ITAL,Decoy,0,-9.76288,-7.15,-3.46,-7.213010250254318
Brc1ccc(/C=N/c2cc3ccccc3cc2/N=C/c2ccc(Br)o2)o1,C01425119_decoy,ITAL,Decoy,0,-6.93245,-4.39,-3.74,-3.717011964639168
COc1cc(Br)cc(/C=C2\CCCn3c2nc2c(Cc4ccccc4)cccc2c3=O)c1,C39483116_decoy,ITAL,Decoy,0,-8.79638,-6.17,-1.42,-5.689344629582026
O=S(=O)(Oc1ccccc1)N1[C@H](Cc2ccccc2)CCC[C@]12CCC[C@H](I)C2,C39526994_decoy,ITAL,Decoy,0,-9.06944,-8.86,,99.0
O=S(=O)(Oc1ccccc1)N1[C@H](Cc2ccccc2)CCC[C@@]12CCC[C@H](I)C2,C39526996_decoy,ITAL,Decoy,0,-9.12191,-8.43,-2.51,-8.731266892269439
O=C(CCn1c(=O)cc(-c2ccccc2)sc1=S)N1c2ccccc2Sc2ccccc21,C39546111_decoy,ITAL,Decoy,0,-8.32963,-8.47,-1.93,-10.650726832858483
CCc1cccc2c(/C=C3/C(=O)N(c4ccccc4)C(=S)N3C)cn(Cc3ccc(F)cc3)c12,C39556475_decoy,ITAL,Decoy,0,-8.26979,-9.2,-1.27,-7.526467925511119
O=C(CCSc1ccc(Cl)cc1)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1,C36710305_decoy,ITAL,Decoy,0,-10.1558,-8.02,-1.75,-12.060938161094953
O=C(c1ccc(Cl)s1)N(/N=C/c1ccc(F)cc1)c1nc2ccc(Br)cc2s1,C39713802_decoy,ITAL,Decoy,0,-8.95972,-9.28,-4.4,-8.08743213069795
O=C(CSC1=NC2=CC=CCC2=N1)c1ccc(SC(F)(F)C(F)(F)C(F)(F)F)cc1,C39942913_decoy,ITAL,Decoy,0,-7.21593,-7.07,-3.44,-6.25710698565406
Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)cc2c1,C40562537_decoy,ITAL,Decoy,0,-7.96038,-5.84,-4.04,-5.175102005121523
Fc1ccc(/C=N/c2ccc(OC(F)(F)C(F)F)c(/N=C/c3ccc(F)c(F)c3)c2)cc1F,C03236684_decoy,ITAL,Decoy,0,-7.8408,-7.37,,99.0
CC[C@@H](C)Oc1c(Br)cc(/C=C2\N=C(c3ccccc3Cl)OC2=O)cc1Br,C59227136_decoy,ITAL,Decoy,0,-8.56948,-4.87,-1.76,-5.65701300771314
COc1c(Br)cc(Br)cc1/C=N/c1ccc2nc(SC)sc2c1,C59387190_decoy,ITAL,Decoy,0,-8.92505,-3.9,-0.62,-5.282806909762845
Cc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1ccccc1,C59433609_decoy,ITAL,Decoy,0,-8.83833,-9.04,-2.44,-7.855376771140323
COc1ccc(Br)c2c1-c1nc(/N=C/c3c(OC)ccc4ccccc34)sc1C2,C15225256_decoy,ITAL,Decoy,0,-7.88668,-9.27,-2.53,-5.484117083555526
Cc1c(OC(=O)[C@@H](Cl)c2ccccc2)ccc2c1O/C(=C\c1cccc(Br)c1)C2=O,C41350847_decoy,ITAL,Decoy,0,-8.43213,-7.33,-2.7,-6.639159133965455
CCOc1ccc(/C=C2\Oc3c(ccc(OCc4ccc(Br)cc4)c3C)C2=O)cc1,C41500935_decoy,ITAL,Decoy,0,-8.7233,-6.76,-1.43,-7.578417325336223
CCn1c(CNC(=O)c2ccc(C)cc2)nnc1SCC(=O)N1c2ccccc2Sc2ccccc21,C01110991_decoy,ITAL,Decoy,0,-8.09794,-9.39,-2.71,-11.923680064495768
COc1ccc(NC(=O)CN(c2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c(OC)c1,C01179077_decoy,ITAL,Decoy,0,-9.26431,-8.38,-2.36,-11.096380532949569
C=CCn1c(SCC(=O)Nc2nc(-c3ccccc3)ns2)nc2scc(-c3ccccc3)c2c1=O,C02890692_decoy,ITAL,Decoy,0,-9.48899,-8.41,-2.1,-9.85168261650786
C=CCOc1c(Br)cc([C@@H]2Nc3ccccc3-c3nnc(SCC)nc3O2)cc1OCC,C02096015_decoy,ITAL,Decoy,0,-9.37812,-5.56,-1.72,-7.4451171149186
O=C(N/N=C/c1ccccc1OC(F)F)c1ccc(CN2c3cccc4cccc(c34)S2(=O)=O)cc1,C03275615_decoy,ITAL,Decoy,0,-7.82797,-8.07,-3.11,-6.482056058942818
CCCOc1ccc([C@@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC,C08789818_decoy,ITAL,Decoy,0,-8.25304,-5.28,-3.16,-6.060884984911023
COc1cc(-c2oc3ccccc3c(=O)c2OCC(=O)Nc2ccccc2)cc(Br)c1OC,C01978966_decoy,ITAL,Decoy,0,-8.66133,-5.8,-3.03,-6.324236508085222
Cc1cccc(C)c1OCCn1cc(/C=C2/C(=O)N=C(O)N(c3ccc(Cl)cc3)C2=O)c2ccccc21,C01816802_decoy,ITAL,Decoy,0,-9.23316,-8.32,-3.42,-8.983534233680972
Cc1ccc2nc(NC(=O)CSc3nnc(Cc4cccn4C)n3-c3ccc(Cl)cc3)sc2c1,C09278654_decoy,ITAL,Decoy,0,-10.4098,-4.37,-3.68,-5.699992464987042
COC(=O)c1sc(-c2ccccc2)cc1NC(=O)c1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,C09404549_decoy,ITAL,Decoy,0,-7.44106,-7.57,-4.48,-6.9616764583243045
CCCSc1nc2sc3c(c2c2nnc(SCC(=O)NCc4ccccc4)n12)CC(C)(C)OC3,C02376796_decoy,ITAL,Decoy,0,-9.94708,-5.63,-2.34,-6.980570633161162
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CCCOc4ccccc4C)c4ccccc34)C2=O)cc1,C09428560_decoy,ITAL,Decoy,0,-7.93433,-5.51,-3.75,-5.122128755439877
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3nc4ccccc4s3)cs2)cc1,C11852534_decoy,ITAL,Decoy,0,-8.50737,-7.01,-3.07,-6.0091174427548975
CCOc1ccc(-n2c(SCC(=O)Nc3cc(C)ccc3OC)nc3sc4c(c3c2=O)CCC4)cc1,C03367757_decoy,ITAL,Decoy,0,-9.763,-6.81,-2.25,-7.108964017117665
O=C(Nc1nc2ccc(SC(F)F)cc2s1)/C(=C/c1cccs1)n1nnnc1-c1ccccc1,C13095220_decoy,ITAL,Decoy,0,-9.65074,-9.38,-4.0,-9.036682676891571
COC(=O)c1c(NC(=O)CSc2nnc(-c3ccccc3F)n2-c2ccc(C)cc2)sc(C)c1C,C13115127_decoy,ITAL,Decoy,0,-9.42774,-8.37,-1.84,-10.583865536522532
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1,C08964764_decoy,ITAL,Decoy,0,-8.85171,-5.48,-2.48,-6.237500381530476
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(C(=O)OC)cc1,C08964766_decoy,ITAL,Decoy,0,-8.24619,-6.4,-2.52,-5.751581419660857
CSc1nc2sc3c(c2c2nnc(SCC(=O)Nc4ccc(Cl)cc4)n12)C[C@H](C(C)C)OC3,C02240670_decoy,ITAL,Decoy,0,-9.29083,-5.84,-2.12,-6.462444391040686
O=c1[nH]c2ccccc2c(=O)n1[C@H](c1ccc(Cl)cc1)P(=O)(Oc1ccccc1)Oc1ccccc1,C15224069_decoy,ITAL,Decoy,0,-8.79986,-9.86,-3.51,-9.809087709611438
O=C(Nc1nc(-c2ccc(F)cc2)cs1)c1ccc(-n2nnnc2SCc2ccc(F)cc2)cc1,C15869172_decoy,ITAL,Decoy,0,-8.96006,-9.25,,99.0
COc1ccc(OC)c(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccc(C)cc2)c1,C16309798_decoy,ITAL,Decoy,0,-8.28543,-8.62,-3.84,-9.694283874129834
COc1cccc(NC(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@H]2c2cccc(C)c2)C2CC2)c1,C16570044_decoy,ITAL,Decoy,0,-8.86481,-5.52,-3.87,-5.997515862494187
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(C)cc3Br)n2Cc2ccco2)cc1,C19810709_decoy,ITAL,Decoy,0,-8.7562,-7.93,-2.13,-8.116552671103701
COc1ccc(OC)c([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(F)cc2)C3)c1,C20323903_decoy,ITAL,Decoy,0,-8.73842,-4.73,-2.72,-6.443259771766089
CCOc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4cccc(F)c4)nn32)cc1OC,C20850481_decoy,ITAL,Decoy,0,-9.27173,-7.88,-2.41,-8.136891781990254
COc1ccc(N(CC(=O)N[C@H]2CC(C)(C)Oc3cc(C)ccc32)S(=O)(=O)c2ccc(C)cc2)cc1,C22321819_decoy,ITAL,Decoy,0,-9.63144,-10.03,-2.88,-9.357484007605716
CCOc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccccc4)S3)[C@@H](c3ccc(C)cc3)C2)cc1,C28159041_decoy,ITAL,Decoy,0,-8.19554,-5.82,-3.39,-5.745732454334302
CCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(OC)cc1)C(=O)c1cccc(Br)c1,C00733394_decoy,ITAL,Decoy,0,-8.59146,-5.89,-4.35,-6.564553255701722
COc1ccc(-c2cn(-c3ccc(C)cc3)c(NC(=O)CN(C(=O)c3ccc(Cl)cc3)C(C)C)n2)cc1,C35694627_decoy,ITAL,Decoy,0,-7.5193,-6.86,-3.03,-6.768055964991691
COc1cccc(NC(=O)N(CCc2csc3nc(-c4ccc(Cl)cc4)cn23)C[C@H]2CCCO2)c1,C35839124_decoy,ITAL,Decoy,0,-8.82178,-8.57,-3.81,-8.540652767541753
CCCNC(=O)CN1C(=O)CS[C@H](c2cccs2)c2c(C(C)(C)C)nn(-c3ccc(OC)cc3)c21,C37425555_decoy,ITAL,Decoy,0,-8.31955,-4.38,-2.0,-5.66856591084209
COc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@@H]3c2cccs2)cc1,C37425824_decoy,ITAL,Decoy,0,-9.41223,-4.6,-3.04,-6.5084436763052125
CCOC(=O)c1c(NC(C)=O)c2c3c(sc2n1Cc1nc(-c2ccccc2Cl)oc1C)CCCC3,C08610076_decoy,ITAL,Decoy,0,-9.24588,-8.22,-3.29,-8.758836418046487
Cc1cc(C)nc(SCc2c(C(=O)Nc3cccc(Br)c3)nnn2-c2ccc(F)cc2)n1,C38491497_decoy,ITAL,Decoy,0,-9.44194,-5.62,-2.33,-6.410845973972772
COc1ccc2[nH]cc(CCN3C(=O)/C(=C/[C@@H]4CN(C)c5ccccc54)N=C3c3ccccc3OC)c2c1,C39330503_decoy,ITAL,Decoy,0,-8.13598,-8.0,-1.95,-8.879828760538095
CC(C)S(=O)(=O)[C@@H]1CCC[C@]2(CCC[C@H](c3ccccc3O)N2S(=O)(=O)Oc2ccccc2)C1,C39527052_decoy,ITAL,Decoy,0,-8.73057,-8.98,-4.42,-8.701778663057768
CC1=C[C@@H](C(=O)N/N=C/c2cc(Br)cc(Br)c2OC(=O)c2ccccc2)N=N1,C39699796_decoy,ITAL,Decoy,0,-8.53149,-4.76,-2.68,-5.83475374885356
CCOc1ccc(N2C(=O)[C@H](Cc3ccccc3C)S/C2=C(\C#N)C(=O)Nc2ccccc2OC)cc1,C39897506_decoy,ITAL,Decoy,0,-10.2393,-8.47,-3.21,-9.642121411051535
C=CCn1c(SCC(=O)Nc2nnc(C3CCCCC3)s2)nnc1-c1csc2c1CCCCC2,C39966589_decoy,ITAL,Decoy,0,-10.3643,-9.18,-2.59,-13.746427054784135
Cc1cccc(OCCN2C(=O)/C(=N\NC(=O)[C@H](C)Oc3ccccc3)c3cc(Br)ccc32)c1,C39987278_decoy,ITAL,Decoy,0,-9.71291,-9.49,-3.2,-11.639491732718165
CCCSc1nc2n(n1)[C@H](c1cc(Br)c(OC)c(OCC)c1)C1=C(CC(C)(C)CC1=O)N2,C40980633_decoy,ITAL,Decoy,0,-9.62061,-5.21,-3.1,-6.62790509604001
CCCSc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3Cl)c(OC)c1)C1=C(CCCC1=O)N2,C40980935_decoy,ITAL,Decoy,0,-8.22887,-6.47,-2.72,-6.62313221520438
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3nonc3-c3ccc4c(c3)CCCC4)C2=O)cc1,C47133701_decoy,ITAL,Decoy,0,-9.07016,-8.09,-3.6,-7.725565635204271
CC(C)COc1ccc(S(=O)(=O)Nc2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)cc1,C49503843_decoy,ITAL,Decoy,0,-9.81482,-7.69,-3.01,-8.217982172315986
COc1ccc2nc(/C(C#N)=C\c3cc(Br)c(OCc4ccccc4C#N)c(OC)c3)[nH]c2c1,C16425113_decoy,ITAL,Decoy,0,-8.71247,-8.72,,99.0
CCOC(=O)c1c(NC(=O)CCN2C(=O)[C@H]3CC[C@@](C)(C2=O)C3(C)C)sc2c1CC[C@@H](C(C)(C)C)C2,C54647940_decoy,ITAL,Decoy,0,-9.69462,-7.26,-3.3,-7.722798953629029
CCOC(=O)c1c(-c2ccc(C)cc2C)csc1NC(=O)CCN1C(=O)[C@H]2CC[C@@](C)(C1=O)C2(C)C,C54647989_decoy,ITAL,Decoy,0,-8.38219,-8.8,-2.74,-8.17489243040154
Cc1ccc(-n2c(C)cc(/C=N/NC(=O)CN(c3ccccc3)S(=O)(=O)c3ccccc3)c2C)cc1C,C58914935_decoy,ITAL,Decoy,0,-8.39556,-8.9,-1.95,-7.697214278992457
Cc1ccc(N(CC(=O)N/N=C/c2cc(C)n(-c3ccccc3)c2C)S(=O)(=O)c2ccccc2)cc1C,C58915023_decoy,ITAL,Decoy,0,-7.9368,-8.98,,99.0
CN(C)S(=O)(=O)c1ccc(NC(=O)CSc2ncnc3sc4c(c23)CC[C@@H](C(C)(C)C)C4)cc1,C06075259_decoy,ITAL,Decoy,0,-9.32954,-5.04,-3.58,-5.89671457066058
COc1ccc(NC(=O)CSc2ncnc3c2sc2nc(C(C)C)c4c(c23)CC(C)(C)OC4)cc1,C08817307_decoy,ITAL,Decoy,0,-8.264,-7.35,-2.17,-6.201971354276055
Cc1ccc(C)c(OCCn2cc(/C=C3/C(=O)N=C(O)N(c4ccc(Cl)cc4)C3=O)c3ccccc32)c1,C02592501_decoy,ITAL,Decoy,0,-8.48078,-9.07,-1.88,-7.518636175703774
CCc1ccc(N2C(=O)NC(=O)/C(=C/c3cn(CCOc4ccccc4Cl)c4ccccc34)C2=O)cc1,C09428378_decoy,ITAL,Decoy,0,-8.27366,-9.06,-2.69,-7.948649208943654
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(NS(=O)(=O)c4ccccc4)cc3)sc2c1,C10019923_decoy,ITAL,Decoy,0,-10.1175,-5.2,-2.86,-7.022906664325393
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)Oc2ccc3c(=O)c(-c4ccc(Cl)cc4)c(C)oc3c2)cc1,C11866727_decoy,ITAL,Decoy,0,-8.25339,-6.13,-4.7,-6.1817046317162285
COc1ccc(OC)c(/C=c2/s/c(=C(/C#N)C(=O)Nc3ccc(C)cc3)n(-c3ccc(C)cc3)c2=O)c1,C12273825_decoy,ITAL,Decoy,0,-8.10454,-5.27,-3.65,-6.26685985842473
Cc1cc(/C=C(\C#N)C(=O)OCC(=O)Nc2sc3c(c2C#N)CCCCC3)c(C)n1-c1ccccc1F,C12549116_decoy,ITAL,Decoy,0,-8.46485,-8.51,-4.59,-8.394090763702323
CCc1ccc(-n2c(SCC(=O)Nc3nc(-c4ccc(C)cc4)cs3)nnc2-c2ccncc2)cc1,C03318826_decoy,ITAL,Decoy,0,-9.89334,-5.82,-3.87,-6.665172304501911
CCOC(=O)c1cc(-c2ccccc2)sc1NC(=O)c1cccc(S(=O)(=O)N2CCCC[C@@H]2C)c1,C12687851_decoy,ITAL,Decoy,0,-9.42583,-8.05,-2.95,-11.86687430302267
Cc1ccccc1N(C(=O)Cn1nnc2ccccc21)[C@@H](C(=O)NCc1ccccc1)c1ccccc1F,C01372520_decoy,ITAL,Decoy,0,-8.58075,-8.92,-1.96,-8.810060668935108
COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1nnc2cc(C)c3ccccc3n12,C03267139_decoy,ITAL,Decoy,0,-7.86636,-5.25,-1.84,-5.261096516512751
COc1ccc(-c2cn(-c3ccc(Cl)cc3)c(S(=O)(=O)CC(=O)Nc3ccc(Cl)cc3)n2)cc1,C04765715_decoy,ITAL,Decoy,0,-9.39128,-8.09,-3.81,-8.895764911063743
Cc1cccc(C)c1OCC(=O)N/N=C/c1ccc(OC(=O)c2ccco2)c(I)c1,C01435604_decoy,ITAL,Decoy,0,-8.43278,-7.7,-2.6,-6.5923247332119
COc1ccc(NC(=O)c2ccc(N3C(=O)/C(=C/c4ccc(N(C)C)cc4)N=C3c3ccccc3)cc2)cc1,C15223010_decoy,ITAL,Decoy,0,-8.19364,-5.07,-2.97,-5.280556545718962
CCN(c1ccccc1)S(=O)(=O)c1ccc(OC)c(NC(=O)Cc2coc3ccc4ccccc4c23)c1,C16044339_decoy,ITAL,Decoy,0,-7.99477,-8.51,-2.34,-7.660781163245122
COc1ccc(/C(C)=N/NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CCCC4)cc1,C16136960_decoy,ITAL,Decoy,0,-9.31978,-7.98,-1.89,-8.456194601981238
Cc1ccc(NC(=O)c2csc(CSc3nnc(-c4cccnc4)n3-c3ccccc3F)n2)cc1C,C00965689_decoy,ITAL,Decoy,0,-9.26026,-5.61,-3.53,-5.819351027336613
COc1cccc(NC(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)C2CC2)c1,C16570043_decoy,ITAL,Decoy,0,-7.33943,-5.5,-2.62,-5.893677130633507
COC(=O)c1ccc([C@@H]2C(C(=O)OC[C@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)cc1,C01074596_decoy,ITAL,Decoy,0,-9.5871,-5.04,-1.84,-6.5685544607120825
Cc1ccccc1CN1c2ccccc2-c2nc(SCC(=O)Nc3ccc(F)cc3)ncc2S1(=O)=O,C20582657_decoy,ITAL,Decoy,0,-8.09031,-8.06,-2.21,-7.0420297534041625
CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2,C20703948_decoy,ITAL,Decoy,0,-7.35551,-7.73,-1.92,-9.806487569532802
COC(=O)C1=C(c2ccccc2)c2cc(Cl)ccc2S(=O)(=O)N1CC(=O)Nc1ccc(C)c(C)c1,C21147567_decoy,ITAL,Decoy,0,-6.87339,-5.54,-1.45,-4.880558316457609
COc1ccc(N(CC(=O)N[C@@H]2CC(C)(C)Oc3ccc(C)cc32)S(=O)(=O)c2ccc(C)cc2)cc1,C22321808_decoy,ITAL,Decoy,0,-9.09176,-8.75,-4.48,-9.60071705587156
COc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(C)cc2C)c2ccc(F)c(Cl)c2)cc1OC,C22379072_decoy,ITAL,Decoy,0,-7.6331,-8.39,-2.55,-7.578868698201592
CCOc1ccc([C@H]2CC(c3ccccc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S2)cc1,C28066680_decoy,ITAL,Decoy,0,-9.33954,-5.85,-3.46,-7.0963408262607
COc1ccc(-n2c(SCC(=O)c3ccc(C)cc3C)nc3cc(C(=O)NC(C)C)ccc3c2=O)cc1,C32944394_decoy,ITAL,Decoy,0,-7.09063,-6.37,-3.08,-5.7723665203009205
COCCN(C(=O)Nc1ccc(F)cc1F)[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(C)c(C)c1,C34720798_decoy,ITAL,Decoy,0,-7.4991,-9.39,-2.74,-8.236546286136205
COC(=O)c1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)cc1,C34859611_decoy,ITAL,Decoy,0,-10.2619,-5.02,-3.52,-7.168071456867737
Cc1cc(C)c(S(=O)(=O)N2CCN(CCN(Cc3ccc(F)cc3)C(=O)NC(C)(C)C)CC2)c(C)c1,C35006065_decoy,ITAL,Decoy,0,-8.10248,-8.56,-3.3,-7.819159600333481
CCONC(=O)CN1C(=O)CS[C@H](c2cccc(C)c2)c2c(C(C)(C)C)nn(-c3ccc(F)cc3)c21,C35848552_decoy,ITAL,Decoy,0,-7.74877,-4.73,-2.71,-5.8029596061092095
COc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccc(Cl)cc3)cn2-c2ccc(C)cc2)C2CC2)cc1,C36051430_decoy,ITAL,Decoy,0,-7.88468,-7.08,-2.86,-9.468250591020974
COc1ccc([C@@H]2[C@H](C(=O)c3ccccc3)c3nc4ccccc4n3C(=O)[C@@H]2NC(=O)c2ccccc2)cc1,C36447695_decoy,ITAL,Decoy,0,-8.48785,-6.52,-3.93,-6.695870716532141
CCN(CC)C(=O)c1sc(NC(=O)C2c3ccccc3Oc3ccccc32)c(C(=O)OC(C)C)c1C,C02748317_decoy,ITAL,Decoy,0,-8.64332,-4.86,-2.34,-6.411203439242939
Cc1nn(-c2ccccc2)c(N2CCCC2)c1/C=N/NC(=O)c1cc(-c2cccs2)nc2ccccc12,C03207325_decoy,ITAL,Decoy,0,-9.65959,-7.75,-2.51,-10.65257155688947
C[NH+](C)CCN(C(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1)c1nc2ccccc2s1,C36690272_decoy,ITAL,Decoy,0,-8.62348,-6.74,-2.88,-8.396278284512345
COc1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(OC)cc2)CC[C@H](C)C4)cc1,C39869196_decoy,ITAL,Decoy,0,-8.64693,-5.78,-2.83,-6.375166066680763
COc1ccc(C)cc1NC(=O)CSc1nnc(-c2csc3c2CCCCC3)n1C[C@@H]1CCCO1,C39966971_decoy,ITAL,Decoy,0,-10.4522,-8.79,-2.32,-12.25874012297441
CCOc1ccc(-n2c(N/N=C/c3cccnc3)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1,C40036900_decoy,ITAL,Decoy,0,-10.2279,-6.85,-1.74,-7.501948772065163
Cc1cc(OCC(=O)Oc2ccc3cc(C(=O)NC4CCCCC4)c(=O)oc3c2)ccc1Br,C40896030_decoy,ITAL,Decoy,0,-8.1224,-8.3,-3.09,-8.678819642095302
CCSc1nc2n(n1)[C@H](c1ccc(OCc3ccccc3F)c(OC)c1)C1=C(CC(C)(C)CC1=O)N2,C41004117_decoy,ITAL,Decoy,0,-8.78184,-6.37,-2.86,-6.45472515283408
CCOc1cc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCC)nn32)ccc1OCc1cccc(C)c1,C41004187_decoy,ITAL,Decoy,0,-8.61441,-6.42,-3.93,-6.819943963648735
CCOc1cc([C@H]2C3=C(CCCC3=O)Nc3nc(SCC)nn32)ccc1OCc1ccc(Cl)cc1,C41004216_decoy,ITAL,Decoy,0,-8.29873,-5.93,-1.64,-7.808404453292115
COC(=O)c1c(NC(=O)c2ccc(Cl)cc2[N+](=O)[O-])sc(C)c1-c1ccc(Br)cc1,C41012101_decoy,ITAL,Decoy,0,-7.64157,-6.71,-2.23,-8.283320922420993
CCc1ccc(CC)c(-c2nonc2NC(=O)CCN2C(=O)/C(=C/c3ccc(F)cc3)SC2=S)c1,C47133745_decoy,ITAL,Decoy,0,-7.95133,-8.76,-3.55,-8.77169201510167
COc1ccc(-c2cc(=O)n(CCCC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)cn2)cc1,C49427068_decoy,ITAL,Decoy,0,-7.94231,-6.21,-2.32,-5.435437871117379
CN(C(=O)c1nn2c(c1Cl)N[C@H](c1ccco1)C[C@@H]2C(F)(F)F)c1ccc(OC(F)(F)F)cc1,C02192445_decoy,ITAL,Decoy,0,-6.51553,-8.42,-2.94,-6.334101801783538
Cc1ccccc1-n1c(C)cc(/C=N/NC(=O)CN(c2ccc(F)cc2)S(=O)(=O)c2ccccc2)c1C,C58915046_decoy,ITAL,Decoy,0,-7.69964,-9.57,-2.41,-9.631909284621663
COC(=O)COc1ccc(Br)cc1/C=N/NC(=O)c1cc2cc(Br)ccc2o1,C59304482_decoy,ITAL,Decoy,0,-8.44655,-7.52,-2.9,-7.604708603114278
COc1ccc(CCN2C(=O)C3=NN=C(c4cc(Cl)c(C)cc4O)[C@H]3[C@H]2c2ccc(F)cc2)cc1OC,C08845453_decoy,ITAL,Decoy,0,-8.59566,-5.7,-1.37,-6.135042193255807
CCc1ccc(N(CC(=O)Nc2ccc(Br)c(C)c2)S(=O)(=O)c2ccccc2)cc1,C01150386_decoy,ITAL,Decoy,0,-8.76414,-10.02,-4.7,-9.81657860760393
CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(F)cc2)ccc1OCc1ccc(F)cc1,C02177241_decoy,ITAL,Decoy,0,-8.24985,-6.73,-4.53,-7.428194132229563
O=C(NCc1nnc(SCc2cccc(F)c2)n1-c1cccc(F)c1)C12CC3CC(CC(C3)C1)C2,C08793580_decoy,ITAL,Decoy,0,-7.83463,-8.1,-2.11,-7.459329947527054
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1cccc(C)c1,C09262402_decoy,ITAL,Decoy,0,-9.02941,-5.62,-2.75,-5.9857994914178345
Cc1cc(Br)c(NC(=O)CSc2nnc(Cc3ccccc3)n2CC(C)C)cc1C,C09327801_decoy,ITAL,Decoy,0,-8.52374,-8.45,-2.46,-11.027221053091976
C=C(C)Cn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,C02253854_decoy,ITAL,Decoy,0,-8.50705,-4.86,-3.68,-5.602669007929589
Cc1ccc(NC(=O)CSc2nnc(-c3ccc(F)cc3)c(-c3ccc(F)cc3)n2)cc1Cl,C02950858_decoy,ITAL,Decoy,0,-7.92562,-9.22,-2.37,-7.355818342246324
Cc1ccc(CSc2nnc(SCC(=O)N/N=C/c3ccccc3Br)s2)cc1,C02327173_decoy,ITAL,Decoy,0,-8.25102,-5.46,-4.7,-5.864023484101121
O[C@H](COc1ccc(-c2ccccc2)cc1)CSc1nnc(-c2ccccc2Br)o1,C11681129_decoy,ITAL,Decoy,0,-9.57901,-7.51,-1.56,-7.513330346197585
Cc1cccc(C)c1OCCOc1ccc(Br)cc1/C=C(\C#N)C(=O)Nc1ccccc1,C12285074_decoy,ITAL,Decoy,0,-8.54812,-8.48,-2.99,-8.53382031350805
CCc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccccc2C#N)cc1,C03218340_decoy,ITAL,Decoy,0,-8.61161,-9.69,-2.96,-9.900441106086888
Cc1sc2nc(Cc3ccccc3)nc(N3CCN(C(=S)NCc4ccccc4)CC3)c2c1C,C01357336_decoy,ITAL,Decoy,0,-8.774,-6.71,-2.71,-6.920553119220079
Cc1ccc(NC(=O)CSc2nc(Cc3ccccc3)nc3sc4c(c23)CC(C)(C)OC4)cc1,C02340900_decoy,ITAL,Decoy,0,-8.50436,-8.75,-1.59,-9.25436245242149
CCCCNC(=O)c1cc2cc(N(CC)S(=O)(=O)c3ccc(Br)cc3)ccc2s1,C13584574_decoy,ITAL,Decoy,0,-9.76248,-7.81,-2.27,-9.435678503578268
CCN(c1ccc2sc(C(=O)Nc3ccc(F)cc3F)cc2c1)S(=O)(=O)c1ccc(C)cc1,C13609976_decoy,ITAL,Decoy,0,-8.86489,-7.68,-3.05,-6.784065030848894
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@@H]1C=CC[C@H]1[C@H](c1ccccc1OCc1ccccc1)N2,C14476484_decoy,ITAL,Decoy,0,-9.61297,-5.86,-3.03,-6.320690753480502
CCOc1cc(/C=C(/C#N)C(=O)Nc2cc(C)ccc2C)cc(I)c1OCC,C15945255_decoy,ITAL,Decoy,0,-8.4255,-7.58,-1.77,-7.711853693921334
Cc1ccc(-n2c(CNC(=O)c3ccc(C(F)(F)F)cc3)nnc2SCc2cccc(C)c2)cc1,C16568681_decoy,ITAL,Decoy,0,-8.34794,-9.38,,99.0
CCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1cc(COc2ccc(Cl)cc2C)c(C)s1,C00650612_decoy,ITAL,Decoy,0,-8.72436,-7.48,-3.77,-7.706266974836482
COC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@@H]1c1cc(CSc2nc3ccccc3s2)cs1,C19874415_decoy,ITAL,Decoy,0,-9.45862,-7.91,-2.5,-10.214212395381814
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccc(Br)cc2)c2ccc(C)c(C)c2)cc1,C19947038_decoy,ITAL,Decoy,0,-9.4262,-10.33,-2.44,-10.482394750858656
CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccccc1F,C02772077_decoy,ITAL,Decoy,0,-8.78725,-6.79,-2.18,-7.056956213534506
CCOc1cc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)ccc1OC(C)C,C21259386_decoy,ITAL,Decoy,0,-8.11394,-7.79,-2.17,-6.835196677226554
CC[C@H](NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O)c1ccc(C)cc1C,C22367109_decoy,ITAL,Decoy,0,-8.07548,-8.38,-2.16,-7.60155431750161
CCOc1cc(/C=C(\C#N)C(=O)NC2CCCCC2)ccc1OCc1ccc(Br)cc1,C23382861_decoy,ITAL,Decoy,0,-9.14861,-8.03,-2.56,-10.544416510620517
CCOC(=O)c1c(NC(=O)c2ccc(F)c(F)c2F)c(-c2cccc(F)c2)cn1Cc1ccccc1,C25159459_decoy,ITAL,Decoy,0,-7.76788,-9.15,-2.08,-8.139337637830781
C=CCOc1ccc(/C=C(/C#N)c2nc(-c3cccs3)c(NC(=O)c3ccc(Cl)cc3)s2)cc1,C27061504_decoy,ITAL,Decoy,0,-9.63956,-5.21,,99.0
CCOC(=O)c1c(-c2ccc(C)c(C)c2)csc1NC(=O)COc1ccccc1Br,C01944338_decoy,ITAL,Decoy,0,-8.1711,-7.0,,99.0
COC(=O)c1c(NC(=O)COc2cc(C)cc(C)c2)sc(C)c1-c1ccc(Br)cc1,C28284441_decoy,ITAL,Decoy,0,-7.26825,-6.54,-3.03,-6.071143548885566
CCc1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2-c2ccccc2)cc1,C32686031_decoy,ITAL,Decoy,0,-8.79878,-8.38,-1.65,-10.22135338328461
Fc1cccc(COc2ccc(/C=N/n3c(-c4ccccc4)n[nH]c3=S)cc2Br)c1,C09296053_decoy,ITAL,Decoy,0,-8.89332,-6.44,-1.89,-5.892875393644588
Cc1ccc(-n2c(CNC(=O)C34CC5CC(CC(C5)C3)C4)nnc2SCc2ccc(F)cc2)cc1,C33666240_decoy,ITAL,Decoy,0,-9.02898,-7.93,-3.14,-8.773499646315292
Cc1ccc(C)c(Cc2c(C)nc(-c3ccccc3)nc2N2CCN(C[C@H](O)c3ccccc3)CC2)c1,C35782988_decoy,ITAL,Decoy,0,-8.17533,-7.88,,99.0
CCCCOc1ccc(C(=O)Nc2ccc([C@@H]3SCC(=O)N3c3ccc4c(c3)CCC4)cc2)cc1,C35925228_decoy,ITAL,Decoy,0,-9.24886,-8.66,-3.05,-11.478822934123968
COc1ccc(NC(=O)Cc2cccc(N(Cc3ccc(F)cc3)C(=O)c3ccc(C)cc3)c2)cc1,C37601087_decoy,ITAL,Decoy,0,-8.06535,-5.5,-1.73,-6.300448341652342
Cc1cccc(C[C@@H]2S/C(=N/N=C/c3ccc(-c4cc(C(F)(F)F)ccc4Cl)o3)NC2=O)c1,C39887937_decoy,ITAL,Decoy,0,-8.3709,-6.21,-2.61,-5.329046081182816
O=C1N/C(=N\N=C\c2ccc(-c3cccc(C(F)(F)F)c3)o2)S[C@@H]1Cc1ccc(Cl)c(Cl)c1,C39888101_decoy,ITAL,Decoy,0,-9.56051,-9.37,-3.82,-7.651734772035565
O=C1N/C(=N\N=C\c2ccc(-c3ccccc3Cl)o2)S[C@@H]1Cc1ccc(Cl)c(C(F)(F)F)c1,C39888462_decoy,ITAL,Decoy,0,-8.585,-8.55,-3.16,-6.730839051419515
Cc1ccc(C)c(OCC(=O)N[C@H](C)c2nc3ccccc3n2Cc2cccc(Br)c2)c1,C40193845_decoy,ITAL,Decoy,0,-7.80345,-9.75,-1.77,-10.52451182172241
Cc1cccc(OCCn2c(CCNC(=O)c3cccc(Br)c3)nc3ccccc32)c1C,C40201231_decoy,ITAL,Decoy,0,-8.21022,-9.03,-3.25,-8.724325487422883
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1cc2sccc2n1Cc1ccccc1,C40799257_decoy,ITAL,Decoy,0,-9.41552,-5.22,-3.66,-5.81886892491467
Cc1ccc(NC(=O)[C@H]2CC(=O)N(CCCc3ccccc3)/C(=N/c3ccc(F)cc3)S2)cc1Cl,C33745624_decoy,ITAL,Decoy,0,-8.70614,-7.26,-3.81,-5.519931001548545
COc1cc(/C=C(\C#N)C(=O)Nc2ccc(Cl)c(Cl)c2)cc(Br)c1OC(C)C,C59117528_decoy,ITAL,Decoy,0,-7.59099,-6.95,-2.86,-7.6982540691084305
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(Br)ccc2OCc2ccc(F)cc2)cc1,C59245193_decoy,ITAL,Decoy,0,-9.1579,-9.3,-1.73,-12.473751949460944
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(Br)ccc2OCc2ccc(C)cc2)cc1,C59297065_decoy,ITAL,Decoy,0,-7.69056,-8.69,,99.0
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccccc1F,C59335595_decoy,ITAL,Decoy,0,-8.62512,-5.56,-2.16,-6.782634944377972
COc1cc(/C=C(/C#N)C(=O)Nc2cccc(C)c2)cc(Br)c1OCc1ccc(C)cc1,C59483964_decoy,ITAL,Decoy,0,-9.16202,-6.11,-1.99,-6.472674833455905
Cc1ccc(C(=O)c2oc3ccc(NC(=O)COc4c(F)c(F)c(F)c(F)c4F)cc3c2C)cc1,C41349328_decoy,ITAL,Decoy,0,-9.58066,-8.55,-2.51,-7.19029530260809
C/C(=N\CCC1=c2cc(OCc3ccccc3)ccc2=[NH+][C@H]1C)C1=C([O-])C[C@H](c2ccccc2)CC1=O,C63514720_decoy,ITAL,Decoy,0,-9.655,-7.51,-2.44,-9.23088371013351
CC/C(=N\CCC1=c2cc(OC(F)(F)F)ccc2=[NH+][C@H]1C)C1=C([O-])C[C@H](c2ccccc2)CC1=O,C63514724_decoy,ITAL,Decoy,0,-7.45289,-9.02,-3.0,-7.806520402171604
Cc1ccc2c(c1)c1c(n2CC[NH+](Cc2ccccc2)Cc2ccccc2)[C@@H](O)CCC1,C03146544_decoy,ITAL,Decoy,0,-9.04545,-8.86,-2.81,-9.956302740655127
c1ccc(CNc2ncnc3c2sc2[nH+]c(N4CCCCC4)c4c(c23)CCCC4)cc1,C01829367_decoy,ITAL,Decoy,0,-8.75226,-6.65,-1.89,-6.171250497866543
Cc1oc(-c2cccs2)nc1C[NH+]1CCc2c([nH]c3ccccc23)[C@@H]1c1ccccn1,C11818114_decoy,ITAL,Decoy,0,-7.09994,-9.4,-2.53,-5.049363216904702
O=C(Nc1cccc(-c2cscn2)c1)C1CC[NH+](Cc2cccc3ccccc23)CC1,C11842600_decoy,ITAL,Decoy,0,-8.17022,-9.26,-3.72,-9.89471413767384
Cc1nc([C@@H](C)n2cnc3sc4c(c3c2=O)CC[C@H]([NH2+]C2CCCCCC2)C4)cs1,C12218464_decoy,ITAL,Decoy,0,-8.32697,-4.77,-2.91,-5.6051701803416485
CC(=O)c1ccc2c3c1CCC[C@@]3(CCCC[NH+]1CC=C(c3ccccc3)CC1)C(=O)N2,C13473717_decoy,ITAL,Decoy,0,-9.15049,-9.57,-1.89,-11.301813600775906
CCOc1c(Br)cc(Br)cc1C[NH2+]Cc1ccccc1OC,C13720617_decoy,ITAL,Decoy,0,-8.09439,-7.02,-2.44,-8.622605173901956
CSc1ccc2cc(C[NH2+]CC3(C)COC3)c(OCc3ccccc3Cl)nc2c1,C14882873_decoy,ITAL,Decoy,0,-9.23545,-8.53,-1.89,-9.275758812515363
O=C(CSc1ccc(Cl)cc1)Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2,C15880245_decoy,ITAL,Decoy,0,-7.67291,-6.26,-3.79,-5.464160337770286
O=C(Cc1ccccc1)N[C@H](OC[C@H]1CCC[NH+]2CCCC[C@@H]12)C(Cl)(Cl)Cl,C16041254_decoy,ITAL,Decoy,0,-9.35513,-7.8,-3.72,-11.46762117462804
COc1cc(C[NH2+]CC(C)C)cc(I)c1OCc1ccccc1,C16382339_decoy,ITAL,Decoy,0,-6.63327,-6.42,-2.4,-7.193825634364001
Cc1ccc(NC(=O)C[NH+]2CCC[C@@H]2c2nc3ccccc3s2)c(Br)c1,C16588883_decoy,ITAL,Decoy,0,-8.08524,-4.34,-4.4,-5.543251534763503
O=c1[nH]c(C[NH+]2CCC[C@H](C(F)(F)F)C2)nc2scc(-c3ccccc3Cl)c12,C16591312_decoy,ITAL,Decoy,0,-7.42874,-8.48,-2.25,-7.9430968480439645
O[C@@H](CN1CC[NH+](Cc2ccccc2)CC1)CN1c2ccccc2Sc2ccccc21,C19372252_decoy,ITAL,Decoy,0,-8.43667,-9.01,,99.0
O[C@H](CSc1cccs1)CN1CC[NH+](C(c2ccccc2)c2ccccc2)CC1,C19834689_decoy,ITAL,Decoy,0,-10.0288,-9.05,-2.86,-10.50247091651797
Cc1ccc(C)c(OC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1,C22595932_decoy,ITAL,Decoy,0,-9.28604,-8.41,-1.41,-12.984099956549178
O=C(NC1CC[NH+](Cc2ccccc2)CC1)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1,C25516191_decoy,ITAL,Decoy,0,-8.31317,-4.65,-3.72,-5.3186149355134935
COc1ccc([C@](O)(c2cccc(C)c2)[C@@H](C[NH+]2CCCC2)c2ccc(Cl)cc2)cc1,C27248486_decoy,ITAL,Decoy,0,-9.56623,-8.48,-3.39,-9.152502193966749
C[NH+](Cc1ccccc1)C[C@@H](O)Cn1c(Cc2cccc3ccccc23)nc2ccccc21,C27696775_decoy,ITAL,Decoy,0,-7.87655,-10.76,-3.65,-9.051705569935285
CCc1cc2c(=O)c(-c3nc4ccccc4s3)c(C)oc2c(C[NH+]2CCCCCC2)c1O,C28120644_decoy,ITAL,Decoy,0,-9.60549,-6.92,-2.89,-6.5787642610913
O=C(NC12CC3CC(CC(C3)C1)C2)[C@@H]1CCC[NH+](Cc2ccc(Br)cc2)C1,C30941229_decoy,ITAL,Decoy,0,-8.99553,-9.4,-4.7,-8.80385191113292
CC[NH2+][C@@H](c1cc(Br)sc1Br)[C@@H]1COc2ccccc2O1,C35560346_decoy,ITAL,Decoy,0,-8.30423,-4.66,-1.84,-5.191886492420227
CC[NH2+][C@@H](c1cc(OC)cc(OC)c1)c1cc(Br)sc1Br,C35560482_decoy,ITAL,Decoy,0,-9.14523,-6.74,-2.69,-8.630494181511711
C[NH+](Cc1ccccc1NC(=O)Cc1c(F)c(F)c(F)c(F)c1F)C1CCCCC1,C37143099_decoy,ITAL,Decoy,0,-8.44416,-7.34,-1.59,-7.6941184063190065
Cc1ccc([C@H]2c3cccn3CC[NH+]2CC(=O)NCc2cccc(C(F)(F)F)c2)cc1,C37423804_decoy,ITAL,Decoy,0,-7.5906,-5.09,-2.67,-5.313570079985489
O=C(NC[C@H](c1cccc2ccccc12)[NH+]1CCCC1)C1(c2ccccc2)CCOCC1,C38621601_decoy,ITAL,Decoy,0,-7.43045,-9.41,,99.0
Brc1ccc2nc(N/N=C/C3=c4ccccc4=[NH+]C3)nc(-c3ccccc3)c2c1,C38915011_decoy,ITAL,Decoy,0,-9.38459,-10.42,-1.97,-10.975416571924226
COc1cc(O)c(C[NH+]2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c2oc(-c3ccccc3)cc(=O)c12,C39164414_decoy,ITAL,Decoy,0,-8.80298,-6.69,-2.72,-6.85092408530595
COc1ccc(OC)c([C@@H]2c3[nH]c4ccccc4c3CC[NH+]2Cc2cccc(Cl)c2)c1,C39227892_decoy,ITAL,Decoy,0,-8.8506,-8.52,-3.46,-10.26870272206841
CC(=O)Nc1sc2c(c1[C@@H](c1cccc(Br)c1)[NH+]1CCCC1)CCCC2,C39853529_decoy,ITAL,Decoy,0,-7.90138,-9.06,-2.59,-9.618801775655829
COc1cc(C[NH2+]C(C)C)cc(Br)c1OCc1c(Cl)cccc1Cl,C40733726_decoy,ITAL,Decoy,0,-8.39827,-6.53,-2.46,-11.217439505338534
CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3ccc(Cl)c(Cl)c3)CC2)cc1,C44933758_decoy,ITAL,Decoy,0,-8.10169,-8.03,-1.68,-7.127559757772834
COc1ccc(C(C)C)cc1C[NH+]1CCCC[C@@H]1C(=O)NC12CC3CC(CC(C3)C1)C2,C44960380_decoy,ITAL,Decoy,0,-7.46315,-9.16,-4.25,-7.610166612530984
CN(Cc1ccc(C#CCCO)cc1)C[C@@H]1CCC[NH+](CCc2ccc(Cl)cc2)C1,C55568720_decoy,ITAL,Decoy,0,-9.09209,-7.57,-2.28,-8.121322438293486
Cc1ccc(/C=N/NC(=O)c2ccc(C[NH+]3CCC(Cc4ccccc4)CC3)cc2)cc1,C20240583_decoy,ITAL,Decoy,0,-8.08231,-5.79,-3.43,-5.6055174004360175
O=C(C[NH+](Cc1ccccc1)CC1CCC1)Nc1ccccc1I,C60041849_decoy,ITAL,Decoy,0,-8.42274,-8.09,-2.99,-8.56504223614231
CSc1ccc(/C=C2\CCCC3=C2N=C2[NH+]=NNN2[C@H]3c2ccc(SC)cc2)cc1,C01061089_decoy,ITAL,Decoy,0,-8.0526,-4.98,-2.19,-4.7811960395495605
COCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(Br)s1,C62730135_decoy,ITAL,Decoy,0,-8.87197,-6.46,-1.5,-8.80323706760871
C[C@@H]1CCC[NH+](Cc2c(O)ccc3cc(-c4nc(-c5ccccc5)cs4)c(=O)oc23)C1,C41512652_decoy,ITAL,Decoy,0,-8.37635,-9.57,-2.4,-7.515468038873535
CCn1cc(/C=C2/Oc3c(C[NH+]4C[C@@H](C)C[C@H](C)C4)c(O)cc(C)c3C2=O)c2ccccc21,C41583697_decoy,ITAL,Decoy,0,-8.70274,-8.59,-1.44,-7.900702864241615
Cc1ccc(/C=C2\Oc3c(C[NH+]4CCCC[C@H]4c4cccnc4)c(O)cc(C)c3C2=O)cc1,C41584552_decoy,ITAL,Decoy,0,-7.49329,-4.62,-2.16,-4.988985657257501
O=C1/C(=C/c2ccc(Cl)cc2)Oc2c1ccc(O)c2C[NH+]1CCCC[C@H]1c1cccnc1,C41584607_decoy,ITAL,Decoy,0,-7.00268,-4.62,-1.81,-4.921516260573842
Cc1cccc2c1=[NH+][C@@H](C)C=2CCNC(=O)c1cc2cc(Cl)cc(Cl)c2oc1=O,C63514552_decoy,ITAL,Decoy,0,-8.06947,-8.71,-1.48,-9.9155350068401
C[C@@H]1[NH+]=c2ccc(F)cc2=C1CCN(Cc1ccco1)C(=S)Nc1ccc(F)cc1,C63658773_decoy,ITAL,Decoy,0,-8.23389,-8.03,-2.13,-7.722744363939105
C[C@@H]1[NH+]=c2ccc(Cl)cc2=C1CCN(Cc1ccccn1)C(=S)Nc1ccccc1,C63658821_decoy,ITAL,Decoy,0,-9.09237,-5.22,-3.13,-5.603527623325957
O=C(N/N=C/C1=c2ccccc2=[NH+]C1)c1cc(-c2ccccc2Cl)nc2ccccc12,C63773014_decoy,ITAL,Decoy,0,-8.42089,-10.19,-1.49,-14.655072175446298
O=C(Nc1ncc(Cc2ccc(Cl)cc2Cl)s1)[C@@H]1C=c2ccccc2=[NH+]C1=O,C38741485_decoy,ITAL,Decoy,0,-8.92615,-9.48,-2.88,-8.130342624893009
OCCOc1ccc(CN2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2cc(F)ccc2F)cc1,C64137226_decoy,ITAL,Decoy,0,-9.4728,-9.01,-2.59,-10.531399846905128
O=C(NC[C@@H]1CCCO1)c1cc2cc(Br)ccc2o/c1=[NH+]\c1cccc(F)c1,C67292374_decoy,ITAL,Decoy,0,-6.57633,-8.54,-2.53,-5.335386932046732
CCc1cccc(/[NH+]=c2\oc3ccc(Br)cc3cc2C(=O)Nc2ccccn2)c1,C67294988_decoy,ITAL,Decoy,0,-6.77444,-10.16,-2.97,-5.907186708584395
COc1ccc(/C=C2/C[NH+](Cc3ccccc3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1,C00820353_decoy,ITAL,Decoy,0,-7.84203,-9.2,-2.16,-9.169046468857433
Cc1ccc(SCC(=O)N(CCC[NH+](C)C)c2nc3cc(C)cc(C)c3s2)cc1,C09344014_decoy,ITAL,Decoy,0,-9.12311,-8.99,-2.89,-9.469144001016437
C[C@H](c1nnc(SCc2ccc(F)cc2Cl)n1-c1ccc(Cl)cc1)[NH+](C)C,C09101441_decoy,ITAL,Decoy,0,-9.13148,-8.31,-3.6,-10.71591037906436
CC[NH+](CC)CCN(C(=O)c1cccc(SC)c1)c1nc2cc(C)cc(C)c2s1,C09386708_decoy,ITAL,Decoy,0,-8.0151,-7.55,-3.16,-8.98993999687247
CSc1cccc(C(=O)N(CCC[NH+](C)C)c2nc3c(C)c(Cl)ccc3s2)c1,C09387665_decoy,ITAL,Decoy,0,-9.11361,-6.92,-1.85,-9.04272409268542
Cc1ccc(OCC[NH+]2CCN(c3ncnc4scc(-c5ccccc5)c34)CC2)cc1,C09763075_decoy,ITAL,Decoy,0,-7.85662,-6.26,-1.36,-7.431555000918391
CC[NH+](CC)CCN(C(=O)c1cccc(Br)c1)c1nc2ccc(F)cc2s1,C10066499_decoy,ITAL,Decoy,0,-8.86166,-7.42,-1.19,-9.508123798705473
CC[NH+](CC)CCN(C(=O)c1cccc(C(F)(F)F)c1)c1nc2ccc(F)cc2s1,C10066510_decoy,ITAL,Decoy,0,-7.96492,-8.56,-1.81,-8.35600218529176
Cc1cc(C)c2nc(N(CCC[NH+](C)C)C(=O)c3ccc4ncsc4c3)sc2c1,C10068541_decoy,ITAL,Decoy,0,-9.35912,-3.9,-2.09,-6.029710089584936
Cc1cc(C)c2sc(N(CCC[NH+](C)C)C(=O)c3ccc4ncsc4c3)nc2c1,C10068594_decoy,ITAL,Decoy,0,-8.07889,-7.24,-1.93,-8.523262600723196
O=c1c(-c2ccccc2)coc2cc(OCC[NH+]3CCN(c4ccccc4)CC3)ccc12,C11866390_decoy,ITAL,Decoy,0,-8.504,-8.86,-2.03,-7.758964286089685
CCO[C@@H](c1ccccc1)c1ccc2c(c1)C[NH+](Cc1nc3ccccc3nc1C)CCO2,C12097274_decoy,ITAL,Decoy,0,-6.95387,-9.07,-4.14,-7.359765005678138
Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(Br)cc3)nc12,C12140962_decoy,ITAL,Decoy,0,-9.69685,-8.57,-2.15,-14.683991748778723
COc1ccc(/C=C2/C[NH+](Cc3ccccc3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1,C12367856_decoy,ITAL,Decoy,0,-8.93084,-8.39,-2.03,-10.557389068954082
CN(Cc1ccccc1)c1nc(C[NH+]2CCCCC2)nc2scc(-c3ccccc3)c12,C03357544_decoy,ITAL,Decoy,0,-9.0948,-8.11,-3.03,-9.372327357448135
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(C(C)(C)C)cc1)N(CCC[NH+](C)C)C3=O,C16749898_decoy,ITAL,Decoy,0,-8.18151,-4.6,-3.57,-5.2275042731517045
COc1ccc(C[C@H]2c3cc4c(cc3CC[NH+]2C)OCO4)c(/C=C/c2ccccc2)c1OC,C17064607_decoy,ITAL,Decoy,0,-7.27534,-6.27,-2.02,-5.46603254521532
Cc1c(C)n(C(=O)C[NH+]2CCN(C(c3ccccc3)c3ccccc3)CC2)c2ccccc12,C20103007_decoy,ITAL,Decoy,0,-8.29029,-10.11,-1.77,-8.515278500697187
Cc1cccc(-c2nnc([C@@H](C)[NH+]3CCN(C(c4ccccc4)c4ccccc4)CC3)o2)c1,C22785833_decoy,ITAL,Decoy,0,-8.07328,-10.26,-1.94,-8.15008568344497
Cc1ccc(CSCCN2CN(Cc3ccccc3)c3[nH+]c4ccccc4n3C2)cc1,C13015954_decoy,ITAL,Decoy,0,-9.00831,-8.9,-3.48,-9.116211246448772
c1ccc2c(c1)COC21CC[NH+](CCCCc2cn(-c3ccncc3)c3ccccc23)CC1,C26166562_decoy,ITAL,Decoy,0,-8.24695,-7.72,-2.79,-6.587717290303085
CC(C)c1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1,C32622873_decoy,ITAL,Decoy,0,-8.49821,-7.97,-2.82,-10.468930334380971
C=CCSc1nc(N2CC[NH+](CC(C)C)CC2)c2c3c(sc2n1)COC(C)(C)C3,C34749989_decoy,ITAL,Decoy,0,-8.43226,-4.33,-1.22,-5.13019364521407
C=CC[NH+]1CCN(c2nc(SCC(=C)C)nc3sc4c(c23)CC(C)(C)OC4)CC1,C34750012_decoy,ITAL,Decoy,0,-8.68128,-5.51,-1.44,-6.3819253961506375
CCC[NH+]1CCN(c2nc(SCC(C)C)nc3sc4c(c23)CC(C)(C)OC4)CC1,C34750055_decoy,ITAL,Decoy,0,-8.38241,-4.28,-1.89,-5.088997944765783
Cc1ccc(C[NH+]2CCN(c3nc(-c4ccccc4)nc4sc(C)c(C)c34)CC2)c(C)c1,C34758174_decoy,ITAL,Decoy,0,-8.51341,-4.64,-3.11,-4.813331108840827
C[C@H]1CCCC[NH+]1CCCN(Cc1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1,C34999576_decoy,ITAL,Decoy,0,-8.49194,-8.75,-2.07,-12.93315573538506
Cc1ccc(C[NH+]2CCC(N(c3ccccc3)S(=O)(=O)c3ccc(F)cc3)CC2)cc1,C35831032_decoy,ITAL,Decoy,0,-7.12444,-8.99,-3.05,-9.815312706130822
CC[NH+](CC(=O)N1N=C(c2cc(C)ccc2C)C[C@@H]1c1ccc(C)cc1)C1CCCCC1,C36342513_decoy,ITAL,Decoy,0,-8.91467,-9.41,-2.01,-8.716619352565502
C=CC[NH+](CC(=O)N1N=C(c2cc(C)ccc2C)C[C@H]1c1cccc(F)c1)C1CCCC1,C36342757_decoy,ITAL,Decoy,0,-9.36253,-6.7,-2.15,-7.720567327353694
CC[NH+](CC)CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccc(F)cc2s1,C36637808_decoy,ITAL,Decoy,0,-9.32798,-7.93,-2.53,-12.187098590088992
COc1ccc(C[NH+]2CCC(N(C(=O)c3ccc(C)cc3)c3ccc(C)cc3)CC2)cc1,C37280036_decoy,ITAL,Decoy,0,-6.81768,-6.17,-2.0,-5.862526852157611
Cc1ccc(N(C2CC[NH+](Cc3cccc(C)c3)CC2)S(=O)(=O)c2ccccc2)cc1,C37560554_decoy,ITAL,Decoy,0,-8.34149,-9.48,-0.92,-10.649677011569926
Cc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3)CC2)cc1,C37570537_decoy,ITAL,Decoy,0,-7.96285,-9.76,-3.12,-10.126906872927956
Cc1ccc([C@H](c2nnnn2Cc2ccccc2)[NH+]2CC=C(c3ccc(F)cc3)CC2)cc1,C08672004_decoy,ITAL,Decoy,0,-8.51009,-9.05,-2.24,-9.454826985192708
COc1ccc(/C=C2\C[NH+](Cc3ccccc3)C/C(=C\c3ccc(OC)cc3)C2=O)cc1,C38154386_decoy,ITAL,Decoy,0,-8.29814,-8.32,-1.81,-8.90514917566809
COc1ccc(/C=C2/C[NH+](Cc3ccccc3)C/C(=C/c3ccc(OC)cc3)C2=O)cc1,C38196429_decoy,ITAL,Decoy,0,-8.57833,-7.41,-1.39,-7.595800381411268
C[NH+](C)CCCN(C(=O)C12CC3CC(CC(C3)C1)C2)c1nc2c(F)cc(F)cc2s1,C36644631_decoy,ITAL,Decoy,0,-7.46147,-8.08,-1.85,-7.593731158792189
CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2cc(C)c(C)cc2s1,C36698910_decoy,ITAL,Decoy,0,-8.75662,-4.63,-3.33,-5.674493997177158
COc1cccc(C(=O)N(C[C@@H]2C=c3cccc(C)c3=[NH+]C2=O)c2ccc(C)cc2C)c1,C38904268_decoy,ITAL,Decoy,0,-8.21642,-5.37,-2.34,-5.410547035336842
CCOc1ccc(N(C[C@@H]2C=c3ccccc3=[NH+]C2=O)C(=O)c2ccccc2Cl)cc1,C38906141_decoy,ITAL,Decoy,0,-7.66288,-9.74,-2.28,-9.295858545230782
CCOc1ccc(N(C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)C(=O)c2ccc(C)cc2)cc1,C38926068_decoy,ITAL,Decoy,0,-8.18088,-5.89,-2.62,-6.212332903445169
CC[NH+](CC)CCn1c(Cc2cccc3ccccc23)nc2cc(C(F)(F)F)ccc21,C40405396_decoy,ITAL,Decoy,0,-8.01812,-9.02,-3.96,-8.2988859013102
C[C@@H]1C[C@H](C)C[NH+](Cc2cc3c(-c4ccccc4)nn(-c4ccccc4)c3nc2Cl)C1,C57740261_decoy,ITAL,Decoy,0,-7.76355,-5.54,-3.81,-5.387951578907101
Cc1ccc(OCc2ccc(C(=O)N3CCC[C@@H](C[NH+]4CCC(C)CC4)C3)o2)c(C)c1,C60275562_decoy,ITAL,Decoy,0,-8.64277,-9.1,-1.94,-8.361056076148477
CCCCCCN1CC(=O)N2[C@H](c3cccc(C)c3)[C@@H]3[NH+]=c4ccccc4=C3C[C@H]2C1=O,C63137050_decoy,ITAL,Decoy,0,-8.12808,-5.97,-1.19,-5.594651810449154
Cc1cccc(-n2c(SCC(=O)c3ccccc3F)nnc2C2=c3ccccc3=[NH+]C2)c1,C63258920_decoy,ITAL,Decoy,0,-9.14675,-8.7,-2.69,-7.908250412077045
Cc1cccc(N(C[C@@H]2C=c3cccc(C)c3=[NH+]C2=O)C(=O)CCc2ccccc2)c1C,C63428326_decoy,ITAL,Decoy,0,-7.79225,-5.35,-2.26,-5.401622187740911
O=C(CSC1=c2ccccc2=[NH+]C1)N1N=C(c2cccs2)C[C@H]1c1ccc(F)cc1,C63755609_decoy,ITAL,Decoy,0,-9.28533,-9.75,-2.78,-9.109841925134116
Cc1ccc(C[NH+](Cc2cc(=O)n3nc(C4CCCCC4)sc3n2)CC(C)C)cc1,C46032326_decoy,ITAL,Decoy,0,-7.99746,-8.04,-2.27,-7.271081964539403
Cc1ccc(S(=O)(=O)N(CC(=O)NCCSCc2cccc(C)c2)c2ccc(F)cc2)cc1,C02089079_decoy,ITAL,Decoy,0,-8.93136,-8.84,-3.91,-9.263635471131936
Cc1ccc(S(=O)(=O)N(CC(=O)NCCSC(C)(C)C)c2ccc(Br)cc2)cc1,C02990899_decoy,ITAL,Decoy,0,-9.83117,-8.09,-1.04,-10.802490768195684
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)ccc1OCc1ccc(F)cc1,C09204677_decoy,ITAL,Decoy,0,-9.03473,-7.09,-2.79,-7.093292785618548
Cc1ccc(NC(=O)CSc2nnc(CCc3ccccc3)n2CC(C)C)c(Br)c1,C01115285_decoy,ITAL,Decoy,0,-8.4761,-8.98,-2.22,-8.236120355047804
CC[C@@H](C)c1ccc(OCCOc2c(Cl)cc(/C=C3/SC(=S)NC3=O)cc2OC)cc1,C09296557_decoy,ITAL,Decoy,0,-6.8356,-6.03,-3.63,-5.885825830064682
Cc1ccc(OCCCC(=O)OCC(=O)Nc2c(Br)cc(C)cc2Br)cc1,C09330169_decoy,ITAL,Decoy,0,-7.9346,-8.09,-2.83,-7.448139507439875
CCOC(=O)c1c(NC(=O)CSc2cn(Cc3cccc(C)c3)c3ccccc23)sc2c1CCC2,C09391739_decoy,ITAL,Decoy,0,-9.13997,-7.67,-2.09,-7.918860373207761
CCOC(=O)c1cc(-c2ccccc2)n(CCCC(=O)Nc2ccc(C)cc2Br)c1C,C09502403_decoy,ITAL,Decoy,0,-8.88869,-8.53,-2.42,-10.025337830720911
Cc1ccccc1CSc1nc2ccncc2n1Cc1ccc(C(=O)NCCc2ccccc2)cc1,C08913663_decoy,ITAL,Decoy,0,-7.48219,-6.2,-3.98,-5.935851586847731
COc1ccc(CCn2c(C)cc(C3=NN=C(Nc4ccc(SC(F)F)cc4)SC3)c2C)cc1,C12546807_decoy,ITAL,Decoy,0,-7.71364,-7.24,-3.39,-6.2134941435116575
COc1ccc(N(C(=O)Cc2cccs2)[C@@H](C(=O)NCc2ccccc2)c2ccc(F)cc2)cc1,C01331755_decoy,ITAL,Decoy,0,-8.95026,-8.18,-3.9,-8.514620314528413
COc1ccc(CNC(=O)[C@H](c2ccccc2)N(C(=O)Cc2cccs2)c2ccc(F)cc2)cc1,C01354017_decoy,ITAL,Decoy,0,-8.90332,-8.33,-3.86,-9.60485774238268
O=C(CSc1nnc(SCc2ccccc2)s1)N/N=C/C(Br)=C\c1ccccc1,C13617683_decoy,ITAL,Decoy,0,-8.18644,-7.18,-3.66,-6.882692889060368
CCCCOc1ccc(C(=O)N(C)c2ccccc2C(=O)NCc2ccccc2)cc1Br,C14041202_decoy,ITAL,Decoy,0,-9.06147,-7.84,-3.77,-8.551784404758784
CN(C(=O)c1ccc(OCCc2ccccc2)cc1)c1ccccc1C(=O)NCCc1ccccc1,C14041502_decoy,ITAL,Decoy,0,-9.07836,-6.83,-2.68,-7.788282713727489
CCCCOc1ccc(Br)cc1C(=O)Nc1cccc(C(=O)N(C)Cc2ccccc2)c1,C14561673_decoy,ITAL,Decoy,0,-8.2892,-7.79,-3.78,-8.55945866219808
Cn1c(SC[C@H](O)COC(c2ccc(F)cc2)c2ccc(F)cc2)nnc1-c1ccccc1F,C14643979_decoy,ITAL,Decoy,0,-8.29425,-8.3,-1.97,-12.140777855494006
CCCCOc1ccc(Br)cc1C(=O)Nc1ccccc1C(=O)N(C)Cc1ccccc1,C14649406_decoy,ITAL,Decoy,0,-8.61134,-8.73,-2.88,-8.832778188743365
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccc(OC)c3)C2)[C@@H]1c1ccc(C)s1,C02758819_decoy,ITAL,Decoy,0,-8.17729,-4.68,-3.7,-6.011783564438618
CCc1nnc(SCC(=O)Nc2ccccc2SCc2ccc(F)cc2)n1-c1ccccc1,C20427362_decoy,ITAL,Decoy,0,-8.7796,-8.67,-3.65,-8.393786747979961
CCOCCCNC(=O)c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)/C(=C/c1ccccc1)S2,C20736352_decoy,ITAL,Decoy,0,-9.69507,-7.08,-2.58,-8.153485196941553
CC/C(=C\C=C\[C@@H]1C=C[C@H]2CCC[C@@H]2[C@@H]1C(=O)c1ccc[nH]1)[C@@H]1O[C@@H]([C@@H](C)C(=O)OC)CC[C@@H]1C,C22781744_decoy,ITAL,Decoy,0,-8.26377,-7.83,,99.0
CC[C@@H](C)c1ccc([C@H](NC(=O)CSCc2cc(=O)n3ccsc3n2)c2cccs2)cc1,C27070865_decoy,ITAL,Decoy,0,-9.22989,-8.28,-3.91,-8.064411864370333
CCOC(=O)c1c(NC(=O)CCCOc2ccc(C)cc2Br)sc2c1CCCC2,C01983952_decoy,ITAL,Decoy,0,-8.58739,-6.61,-1.57,-6.752955917013552
Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(CC(C)C)C(=O)Nc1ccc(F)cc1F,C33407451_decoy,ITAL,Decoy,0,-8.41014,-8.04,-2.75,-8.574790445681666
CCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)Nc1ccc(SC)cc1,C33742338_decoy,ITAL,Decoy,0,-9.58251,-7.9,-3.47,-9.448592058251611
C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)Nc1cccc(CC)c1,C33761318_decoy,ITAL,Decoy,0,-9.15761,-7.81,-3.85,-8.956090716646667
CCCC[C@@H](Sc1nc(C)c(Cc2ccc(F)cc2)c(=O)n1C)C(=O)N[C@H](C)c1ccccc1,C35158934_decoy,ITAL,Decoy,0,-9.31154,-9.63,-2.62,-9.781117195708342
CC(C)CN(Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)C[C@H](O)c1ccccc1,C35782514_decoy,ITAL,Decoy,0,-10.843,-9.0,-4.12,-10.167351223193396
CC[C@H](C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)C(=O)Nc1ccccc1,C35808325_decoy,ITAL,Decoy,0,-8.05972,-7.81,-3.58,-7.992767679032328
COc1ccc(NC(=O)[C@@H](c2cccc(F)c2)N(Cc2ccccc2)C(=O)Cc2ccccc2)cc1,C03773228_decoy,ITAL,Decoy,0,-8.60492,-5.12,-3.2,-6.494424804443265
CCCCNC(=O)[C@@H](c1cc2ccccc2c2ccccc12)N(Cc1ccco1)C(=O)c1ccccc1,C36502364_decoy,ITAL,Decoy,0,-10.5076,-5.16,-2.92,-7.362499630774078
C=C(C)C(=O)N(Cc1ccco1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(C(F)(F)F)cc1,C36505034_decoy,ITAL,Decoy,0,-6.96164,-8.14,,99.0
CCCCNC(=O)[C@@H](c1ccc(OC)cc1)N(C(=O)Cc1ccc(Br)cc1)C(C)(C)C,C36583987_decoy,ITAL,Decoy,0,-7.71436,-7.0,-2.23,-7.558096276969623
C/C=C\[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc1ccc(C)o1)C(=O)Cc1ccc(Br)cc1,C36595211_decoy,ITAL,Decoy,0,-8.86676,-7.23,-3.23,-8.594399689793132
Cc1ccc(CN(C(=O)c2ccc(F)cc2)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccccc2C)o1,C36602780_decoy,ITAL,Decoy,0,-6.72591,-8.51,-3.44,-8.800189238192962
Cc1ccc(CN(C(=O)Cc2ccccc2)[C@@H](C(=O)NC(C)(C)C)C(c2ccccc2)c2ccccc2)o1,C36603224_decoy,ITAL,Decoy,0,-9.70066,-5.66,-2.68,-7.622964060865353
CCC(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc(C(F)(F)F)cc1,C36603518_decoy,ITAL,Decoy,0,-8.1663,-8.47,-4.33,-9.267981457982073
C[C@H](Sc1nnc(Cc2cccs2)n1CCc1ccccc1)C(=O)N[C@@H](C)c1ccc(F)cc1,C36820825_decoy,ITAL,Decoy,0,-9.90381,-8.52,-3.74,-8.481737834565676
Cc1ccc(CN(C(=O)COc2ccccc2)c2cccc(CC(=O)Nc3ccc(F)cc3)c2)cc1,C37601143_decoy,ITAL,Decoy,0,-8.13789,-5.7,-4.35,-5.5271428618623455
Cc1cccc(OCCCn2c(CCNC(=O)c3cccc(Br)c3)nc3ccccc32)c1,C40201264_decoy,ITAL,Decoy,0,-8.68113,-8.79,-2.63,-9.887766016619736
Cc1cccc(OCCn2c(CCCNC(=O)c3ccc(Br)cc3)nc3ccccc32)c1,C40208206_decoy,ITAL,Decoy,0,-8.11749,-8.88,-2.97,-8.565583867854999
O=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1nc2ccccc2n1CC(=O)c1ccccc1,C40209292_decoy,ITAL,Decoy,0,-8.75641,-10.23,-2.54,-9.954740789987396
Cc1ccc(CSCCNC(=O)CN(c2cccc(C)c2)S(=O)(=O)c2ccc(C)cc2)cc1,C44792650_decoy,ITAL,Decoy,0,-9.45428,-8.86,-3.65,-9.425904854988945
Cc1ccc(CSCCNC(=O)CN(c2ccccc2F)S(=O)(=O)c2ccc(C)cc2)cc1,C44802731_decoy,ITAL,Decoy,0,-8.5077,-8.83,-3.97,-9.871722225088227
CSc1ccc(S(=O)(=O)N(CC(=O)NCCSc2ccccc2)c2ccc(C)cc2)cc1,C44802922_decoy,ITAL,Decoy,0,-9.95238,-7.87,-4.64,-8.277192617103639
O=C(COc1ccc(Br)cc1)OCCSc1ccc(NC(=O)c2ccccc2)cc1,C57318218_decoy,ITAL,Decoy,0,-7.77755,-8.22,-4.26,-7.195539878849868
COc1cccc(CN(Cc2ccccc2)C(=S)Nc2ccc(Oc3ccccc3)cc2)c1OC,C59093109_decoy,ITAL,Decoy,0,-7.85924,-9.04,-2.6,-10.860475020414844
Cc1ccc(S(=O)(=O)CN/C(=N/C(=S)N(c2ccccc2)c2ccccc2)c2ccccc2)cc1,C18114073_decoy,ITAL,Decoy,0,-9.88228,-10.09,-2.75,-10.51478129357698
COCCCN1C(=O)c2ccccc2N[C@H]1c1c(OCCCc2ccccc2)ccc2ccccc12,C66133175_decoy,ITAL,Decoy,0,-8.90432,-5.64,-3.61,-6.0547554521662486
CCc1cc(=O)oc2c3c(ccc12)OC[NH+](CC(c1ccccc1)c1ccccc1)C3,C02118152_decoy,ITAL,Decoy,0,-8.81184,-11.0,-2.13,-10.194032415739589
C=CC[NH+](Cc1c(F)cccc1F)Cc1cccn1Cc1ccc(C(F)(F)F)cc1,C04345129_decoy,ITAL,Decoy,0,-7.50768,-9.12,-2.64,-9.013087318645852
C[NH+](C)CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2c(F)cc(F)cc2s1,C04359425_decoy,ITAL,Decoy,0,-9.67659,-8.24,-2.16,-13.763912658252307
CCOc1ccc(/C=C2\C[NH+](C(C)C)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1,C04547708_decoy,ITAL,Decoy,0,-7.23032,-6.55,-1.79,-8.150023955843976
CCOc1ccc(/C=C2/C[NH+](C(C)C)C/C(=C\c3ccc(OCC)cc3)C2=O)cc1,C00673675_decoy,ITAL,Decoy,0,-9.12737,-8.13,-2.14,-9.977845408417473
CC(C)[C@H](C)[NH+](Cc1ccc(F)cc1F)Cc1cccn1Cc1ccc(F)cc1,C04914690_decoy,ITAL,Decoy,0,-8.11088,-8.7,-4.19,-8.600367525319093
O=C1C=C(c2ccc(OCC[NH+]3CCCC3)cc2)[C@H](c2ccccc2)[C@@H](c2ccccc2)C1,C01639762_decoy,ITAL,Decoy,0,-9.3477,-6.36,-3.2,-7.058515513423316
COc1ccc([C@@H]([C@@H](C(=O)c2ccccc2)c2ccccc2)[NH+]2CCCCC2)cc1,C05513921_decoy,ITAL,Decoy,0,-7.39875,-9.15,-1.78,-8.582243573325325
CCOc1ccc(CN(C)c2cc(-c3ccccc3)c3ccccc3[nH+]2)cc1OC,C03422509_decoy,ITAL,Decoy,0,-8.19751,-4.75,-2.6,-5.334657584227407
CC[NH+](CC)CCN(C(=O)CSc1ccc(C)cc1)c1nc2ccc(C)cc2s1,C09343695_decoy,ITAL,Decoy,0,-9.13135,-6.63,-1.96,-7.8484428618675235
CC[NH+](CC)CCN(C(=O)CSc1ccccc1)c1nc2cc(C)cc(C)c2s1,C09344001_decoy,ITAL,Decoy,0,-8.85852,-8.86,-3.39,-9.163646951151184
Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)CSc3ccc(Cl)cc3)sc2c1,C09344022_decoy,ITAL,Decoy,0,-9.48084,-7.69,-2.39,-8.254644362359638
CCc1cccc2sc(N(CC[NH+](CC)CC)C(=O)c3ccc(SC)cc3)nc12,C09385892_decoy,ITAL,Decoy,0,-10.4554,-7.99,-4.19,-11.121145746063595
CC[NH+](CC)CCN(C(=O)c1ccc(C)cc1C)c1nc2c(C)c(C)ccc2s1,C10067105_decoy,ITAL,Decoy,0,-8.93459,-8.31,-2.24,-10.116461355762816
CCc1cccc2sc(N(CCC[NH+](C)C)C(=O)Cc3cc(C)ccc3C)nc12,C10698355_decoy,ITAL,Decoy,0,-8.24042,-8.35,-3.97,-8.677354508163477
Cc1ccc(C)c(CC(=O)N(CCC[NH+](C)C)c2nc3c(C)c(C)ccc3s2)c1,C10698587_decoy,ITAL,Decoy,0,-7.55959,-7.78,-2.98,-9.15534144923041
CC[NH+](CC)CCN(C(=O)Cc1ccc(C)c(C)c1)c1nc2c(F)cc(F)cc2s1,C10699171_decoy,ITAL,Decoy,0,-9.15325,-8.13,-3.59,-10.90586473677655
Cc1cc(C)c(CC(=O)N(CC[NH+](C)C)c2nc3cc(C)cc(C)c3s2)c(C)c1,C10699760_decoy,ITAL,Decoy,0,-8.56917,-7.51,-2.92,-8.512126005152949
C=C1CC[C@H]2[C@@](C)(CCC[C@]2(C)C(=O)OC)[C@H]1CCc1ccoc1C[NH+]1CCCC1,C16041850_decoy,ITAL,Decoy,0,-8.5747,-6.51,-2.19,-8.4014880001758
Cc1ccc(Cc2nc(C[NH+](Cc3ccccc3)Cc3ccccc3)cs2)cc1,C23439265_decoy,ITAL,Decoy,0,-9.30911,-9.46,-4.13,-9.789609475699642
Cc1ccc(SCCN2CN(Cc3ccccc3)c3[nH+]c4ccccc4n3C2)cc1,C25701842_decoy,ITAL,Decoy,0,-8.04035,-8.49,-3.25,-7.734838271626932
O=C(CN(C1=[NH+]CCCS1)c1ccccc1)c1ccc(Oc2ccccc2)cc1,C28114383_decoy,ITAL,Decoy,0,-8.25014,-8.58,,99.0
COc1ccc([C@H](CC[NH+]2CCN(c3ccc(F)cc3)CC2)Oc2ccccc2)cc1,C34727461_decoy,ITAL,Decoy,0,-8.89786,-5.42,-2.53,-5.720772930949615
C=CCSc1nc(N2CC[NH+](CC(=C)C)CC2)c2c3c(sc2n1)CCCC3,C34756010_decoy,ITAL,Decoy,0,-8.15571,-3.98,-1.13,-5.005594492224805
CCCCSc1nc(N2CC[NH+](CCCC)CC2)c2c3c(sc2n1)CCC3,C34757259_decoy,ITAL,Decoy,0,-8.47133,-4.63,-1.67,-6.476377154552493
CCCC[NH+]1CCN(c2nc(SCC(C)C)nc3sc4c(c23)CCC4)CC1,C34757312_decoy,ITAL,Decoy,0,-9.34012,-5.15,-1.7,-6.96684552575496
CCc1c(C)sc2nc(SCC(C)C)nc(N3CC[NH+](Cc4ccccc4)CC3)c12,C34761465_decoy,ITAL,Decoy,0,-10.1633,-4.29,,99.0
O=C(c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c[nH+]1)c1ccco1,C34798084_decoy,ITAL,Decoy,0,-7.58489,-9.5,-4.22,-8.70431483565337
Cc1ccc([C@H]2c3cccn3CCC[NH+]2Cc2cccc(Oc3ccccc3)c2)cc1,C35789940_decoy,ITAL,Decoy,0,-8.44181,-10.04,-2.65,-8.799115568452704
CCc1ccccc1[C@H]1c2cccn2CCC[NH+]1Cc1cccc(C(F)(F)F)c1,C35791939_decoy,ITAL,Decoy,0,-6.98753,-9.03,-2.25,-8.073983691024605
c1ccc(Oc2cccc([C@@H]3c4cccn4CCC[NH+]3Cc3cccs3)c2)cc1,C35809619_decoy,ITAL,Decoy,0,-8.83471,-8.55,-1.91,-8.879371521146055
c1ccc(Oc2cccc([C@H]3c4cccn4CCC[NH+]3Cc3cccs3)c2)cc1,C35809620_decoy,ITAL,Decoy,0,-10.1184,-5.73,-1.39,-6.512872601804803
Cc1cc(F)ccc1O[C@H](CC[NH+]1CCN(c2ccc(F)cc2)CC1)c1ccc(F)cc1,C35913499_decoy,ITAL,Decoy,0,-8.78663,-10.01,-1.54,-11.540631591673604
Cc1ccccc1[C@H]1c2cccn2CCC[NH+]1Cc1cccc(Oc2ccccc2)c1,C36348304_decoy,ITAL,Decoy,0,-8.57273,-9.73,-3.69,-8.668290556234638
COc1ccc(C[NH+]2CCCn3cccc3[C@H]2c2c(C)cc(C)cc2C)c(OC)c1,C36348511_decoy,ITAL,Decoy,0,-7.0821,-4.53,-1.18,-4.46480388031937
Cc1cc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(C(C)(C)C)cc3)nc2c1,C36637657_decoy,ITAL,Decoy,0,-9.24525,-7.39,-2.98,-9.362801621376455
Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3ccc4c(c3)CCCC4)sc2c1,C04359542_decoy,ITAL,Decoy,0,-9.54733,-6.57,-3.68,-8.296475348971315
CC[NH+](CC)CCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccccc2s1,C36690294_decoy,ITAL,Decoy,0,-9.37941,-7.93,-2.39,-12.528001310902123
CCSc1ccc(C(=O)N(CCC[NH+](C)C)c2nc3c(C)c(C)ccc3s2)cc1,C36698090_decoy,ITAL,Decoy,0,-10.0138,-5.16,-3.73,-7.181037489815937
Cc1cc2nc(N(CCC[NH+](C)C)C(=O)c3cccc(C(F)(F)F)c3)sc2cc1C,C36698947_decoy,ITAL,Decoy,0,-6.93939,-8.52,-3.31,-7.406420320250073
CSc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C(C)(C)C)cc3)nc12,C38845208_decoy,ITAL,Decoy,0,-8.8545,-6.98,-4.18,-7.815332262746777
CC(C)(C)c1ccc(C(=O)N(C[C@H]2C=c3ccccc3=[NH+]C2=O)c2ccccc2)cc1,C38915292_decoy,ITAL,Decoy,0,-8.7292,-5.6,-1.88,-6.053939131490627
CCCCN(C[C@@H]1C=c2cc(C)ccc2=[NH+]C1=O)C(=O)c1ccc(C(C)(C)C)cc1,C38970998_decoy,ITAL,Decoy,0,-8.30275,-7.89,-1.35,-7.752540640244392
CCCCN(C[C@@H]1C=c2ccc(C)cc2=[NH+]C1=O)C(=O)c1ccc(C(C)(C)C)cc1,C38990206_decoy,ITAL,Decoy,0,-8.5684,-8.24,-1.5,-8.236404849777744
Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(-c4ccccc4)cc3)nc2c1C,C36643634_decoy,ITAL,Decoy,0,-8.80012,-4.54,-3.58,-6.156870404775134
Cc1ccc(OCCCCn2c([C@H](C)[NH+]3CCCCCC3)nc3ccccc32)cc1,C39917244_decoy,ITAL,Decoy,0,-7.94359,-8.38,-1.89,-8.597170338315536
Cc1ccc(OCCCn2c([C@H](C)[NH+]3CCCCCC3)nc3ccccc32)c(C)c1,C39917410_decoy,ITAL,Decoy,0,-9.01783,-9.22,-1.92,-9.667438036674024
Fc1ccc(C(CCCN2CC[NH+]3CCCCC[C@@H]3C2)c2ccc(F)cc2)cc1,C22583880_decoy,ITAL,Decoy,0,-8.19973,-8.64,-2.06,-10.80781747181018
CCc1ccc([C@@H]2N(Cc3cccc(C)c3)CCC[NH+]2Cc2ccc(F)cc2)cc1,C19326716_decoy,ITAL,Decoy,0,-8.34845,-9.35,-2.52,-8.837116859822968
CCCN(Cc1ccc(C(C)C)cc1)Cc1cc(=O)n2c3c(sc2[nH+]1)CCCC3,C33069031_decoy,ITAL,Decoy,0,-8.70121,-8.11,-4.85,-7.777699175914931
Cc1cccn2c(=O)c(/C=C3\SC(=S)N([C@@H](C)c4ccccc4)C3=O)c(N3CCSCC3)nc12,C08834835_decoy,ITAL,Decoy,0,-8.6783,-5.66,-1.53,-5.655494790538849
O=C(CSc1nc(-c2cccs2)nc2ccccc12)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1,C08860881_decoy,ITAL,Decoy,0,-9.88743,-7.94,-3.67,-8.988716189243576
COc1ccc(C(=O)N(/N=C/c2cccs2)c2nc3ccc(Br)cc3s2)cc1OC,C09148641_decoy,ITAL,Decoy,0,-9.41051,-5.04,-3.69,-6.356287844674813
O=Cc1cc(I)c(OCc2cccc([N+](=O)[O-])c2)c(I)c1,C09295664_decoy,ITAL,Decoy,0,-7.89675,-8.01,-3.45,-7.918384912285317
COc1ccc(OC)c([C@@H]2[C@@H](C(C)=O)N3c4ccc(Cl)cc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1,C09009683_decoy,ITAL,Decoy,0,-8.69189,-5.58,-2.69,-6.662333988296977
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1,C02251882_decoy,ITAL,Decoy,0,-9.22961,-6.35,-3.77,-6.759448562299239
COc1cccc(-n2c(=S)sc3c(=O)n(-c4ccc(F)cc4)c(SC[C@@H]4CCCO4)nc32)c1,C03019080_decoy,ITAL,Decoy,0,-9.47548,-5.38,-3.3,-6.050016174325945
Cc1c(C2=CCN(S(=O)(=O)c3ccc4c(c3)CCCC4)CC2)c2ccccc2n1CC(=O)N1CCCC1,C09612174_decoy,ITAL,Decoy,0,-9.10009,-9.38,-2.37,-7.953856657193309
CS(=O)(=O)c1ccc2nc(N(CCc3cccs3)C(=O)c3nc4ccccc4s3)sc2c1,C10097992_decoy,ITAL,Decoy,0,-9.22941,-4.85,-3.74,-5.594240746659067
O=C(COc1ccc(F)cc1Br)N1CCc2cc(S(=O)(=O)N3CCCCC3)ccc21,C12746727_decoy,ITAL,Decoy,0,-8.23182,-5.14,-2.03,-4.974734461825071
CN(C)C(=O)[C@@H](Sc1nc2ccc(Br)cc2c(=O)n1Cc1ccco1)c1ccccc1,C12905151_decoy,ITAL,Decoy,0,-8.81428,-5.11,-1.92,-6.123446371153147
Cc1nnc(SCC(=O)N2N=C3/C(=C/c4cccs4)CCC[C@H]3[C@H]2c2cccs2)n1C1CC1,C14240951_decoy,ITAL,Decoy,0,-10.1567,-6.98,-3.25,-7.428833159859693
Cc1cc(C(=O)COC(=O)c2cc(Br)c(Br)s2)c(C)n1C[C@@H]1CCCO1,C14358889_decoy,ITAL,Decoy,0,-9.02015,-6.05,-2.39,-6.731891424055931
COc1cc(/C=N/n2cnnc2)cc(I)c1OCc1ccc(Cl)cc1Cl,C15018722_decoy,ITAL,Decoy,0,-8.30926,-4.85,-1.52,-5.544873875439897
COc1ccc(OS(=O)(=O)c2ccc(C)cc2)c(/C=C2\SC(=S)N(c3ccccc3)C2=O)c1,C16212741_decoy,ITAL,Decoy,0,-7.40605,-8.42,-4.82,-7.414706119071585
Cc1c(C(=O)N2CCN(S(=O)(=O)c3cc(F)ccc3F)CC2)oc2ccc(Br)cc12,C16497551_decoy,ITAL,Decoy,0,-8.43948,-8.6,-3.18,-7.08997595888851
COc1cccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)C(C)C)c1,C16569422_decoy,ITAL,Decoy,0,-8.14186,-5.42,-3.15,-6.128877721249008
CC12CN(C(=O)[C@@H]3CCOC(C)(C)C3)CC(c3ccccc3)(CN(C(=O)[C@@H]3CCOC(C)(C)C3)C1)C2,C16889174_decoy,ITAL,Decoy,0,-9.51069,-6.57,-2.17,-7.066603049992303
Cc1ccc([C@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@H]23)cc1,C18266883_decoy,ITAL,Decoy,0,-8.29999,-8.12,-2.01,-7.426939722701161
C=C(C)CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CN(Cc1ccccc1)CC4,C19947584_decoy,ITAL,Decoy,0,-8.99323,-6.5,-2.43,-6.5541874797718815
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(OC(F)F)cc1)N1CCC[C@H]2CCCC[C@H]21,C24141461_decoy,ITAL,Decoy,0,-7.79229,-6.75,-2.17,-7.05370542536941
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCc4ccccc4)C3=O)c(N3C[C@@H](C)C[C@H](C)C3)nc12,C26503358_decoy,ITAL,Decoy,0,-8.83575,-8.54,-3.29,-7.708223798931175
O=C(CCC1CCCC1)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cccc(I)c1,C32639579_decoy,ITAL,Decoy,0,-10.1103,-6.89,-3.44,-7.52754391066278
O=C(CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)N1CCN(S(=O)(=O)c2c(F)cccc2F)CC1,C18191416_decoy,ITAL,Decoy,0,-9.09829,-8.87,-3.33,-8.060427011072385
C=CCn1c(=O)/c(=C2/SC(C)=C(C)N2CC)s/c1=C1/C(=O)N(CC)C(=S)N1c1ccccc1,C33510271_decoy,ITAL,Decoy,0,-8.01128,-4.16,-2.98,-4.8831919021327534
C[C@H]1CCCCN1c1nc2ccccn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(F)cc2)C1=O,C33781663_decoy,ITAL,Decoy,0,-7.9872,-8.14,-2.69,-6.627308720055445
Cc1ccc(C)c(-n2c([C@H](C)N(Cc3ccco3)C(=O)c3ccccc3F)nc3ccccc3c2=O)c1,C35072129_decoy,ITAL,Decoy,0,-6.98005,-5.62,-3.7,-5.761907019075649
COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)c2ccccc2F)C2CC2)cc1,C35229299_decoy,ITAL,Decoy,0,-7.04837,-9.44,-2.39,-8.247646180375979
CC(=O)c1sc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccc(F)cc2)nc1C,C35512713_decoy,ITAL,Decoy,0,-8.92465,-5.15,-2.02,-5.2297074945897695
CC(=O)c1sc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)nc1C,C35513360_decoy,ITAL,Decoy,0,-11.1873,-6.9,,99.0
Cc1nc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(OCc3ccccc3)cc2)sc1C,C35513510_decoy,ITAL,Decoy,0,-8.54472,-5.74,-2.86,-5.779799815446191
O=C(c1cccc(Br)c1)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccco1)C1CC1,C35706921_decoy,ITAL,Decoy,0,-7.52978,-8.44,-3.17,-7.646899378943517
COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1cccc(F)c1)C(=O)N2Cc1cccc(C(F)(F)F)c1,C36166510_decoy,ITAL,Decoy,0,-7.75207,-4.54,-2.14,-5.363384134969181
COc1ccc(C(=O)N2CCS[C@@]23C(=O)N(Cc2ccc(F)c(F)c2)c2ccc(OC)cc23)cc1,C36167506_decoy,ITAL,Decoy,0,-7.80922,-8.05,-1.54,-7.035713354277206
CC(C)S(=O)(=O)[C@]1(C)CN(F)C(=O)N1CC1(C2CCCCC2)CCN(I)CC1,C39491003_decoy,ITAL,Decoy,0,-8.43615,-4.48,-1.64,-5.613675460452946
CC(C)S(=O)(=O)c1cc2c(cc1S(=O)(=O)Oc1ccccc1)/C(=C/c1ccccc1)N(Cl)C2,C39499472_decoy,ITAL,Decoy,0,-9.22761,-5.28,-4.07,-6.183533225088244
CCCCn1c(N2CCC(C)CC2)c(/C=C2/SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O,C39770594_decoy,ITAL,Decoy,0,-7.52582,-4.97,-2.38,-5.393878472850759
CCCOc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1,C39839842_decoy,ITAL,Decoy,0,-8.68512,-5.75,,99.0
Cc1cc2c(n1-c1ccc(Br)cc1)CC(C)(C)C/C2=N\OC(=O)[C@]12CC[C@](C)(C(=O)O1)C2(C)C,C39853262_decoy,ITAL,Decoy,0,-7.70319,-8.37,-3.55,-6.019026541035681
COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1OC,C39876109_decoy,ITAL,Decoy,0,-9.08498,-7.49,,99.0
COc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(Br)c2)cc1OC,C39876121_decoy,ITAL,Decoy,0,-9.08871,-7.3,-1.7,-6.6432264714363685
CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(Br)c1)N(c1nnc(CC)s1)C3=O,C40562207_decoy,ITAL,Decoy,0,-8.7118,-9.55,-0.69,-8.390252649303704
O=C(c1ccc(Br)cc1)[C@@H]1[C@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12,C16034990_decoy1,ITAL,Decoy,0,-7.97444,-6.75,,-5.444571132962377
Cc1c(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)oc2ccc(Br)cc12,C47133097_decoy,ITAL,Decoy,0,-8.53726,-8.06,-2.76,-9.399593821869445
c1ccc(C[C@@H]2[C@@H]3CN4CCN2C[C@@H](C4)/C3=N\N=C2\C3CN4CCN(C3)CC2(Cc2ccccc2)C4)cc1,C59435048_decoy,ITAL,Decoy,0,-8.47544,-9.52,-4.52,-7.882691841154517
c1ccc(C[C@H]2[C@@H]3CN4CCN2C[C@@H](C4)/C3=N\N=C2\C3CN4CCN(C3)CC2(Cc2ccccc2)C4)cc1,C59435049_decoy,ITAL,Decoy,0,-9.80543,-9.57,-4.43,-10.087604353605034
CCOc1ccc2nc(S[C@H]3CC(=O)N(c4ccccc4I)C3=O)sc2c1,C01218599_decoy,ITAL,Decoy,0,-8.54178,-4.48,-3.65,-5.60778903475043
O=C1[C@H]2[C@@H](C(=O)N1c1ccccc1C(F)(F)F)C1(O[C@H]2c2ccc(F)cc2)C(=O)c2ccccc2C1=O,C18122380_decoy,ITAL,Decoy,0,-9.84167,-7.53,-1.58,-7.1801970237201695
Cc1ccc([C@@H]2OC3(C(=O)c4ccccc4C3=O)[C@@H]3C(=O)N(c4ccccc4C(F)(F)F)C(=O)[C@@H]32)cc1,C18266880_decoy,ITAL,Decoy,0,-7.39258,-6.71,-2.49,-5.728547242924236
O=C(c1ccc(Br)cc1)[C@@H]1[C@@H]2C(=O)N(c3ccccc3)C(=O)[C@H]2[C@@H]2C=Cc3ccccc3N12,C16034990_decoy2,ITAL,Decoy,0,-8.9245,-9.83,,-9.63924597979369
CCOC(=O)C1=C(C)N=C2S[C@@H](Cc3ccc(Br)cc3)C(=O)N2[C@@H]1c1ccccc1,C00974085_decoy,ITAL,Decoy,0,-8.5708,-7.81,-2.62,-10.216907938549076
Cc1cccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)Cc2cccs2)C2CC2)c1,C04191276_decoy,ITAL,Decoy,0,-6.63561,-9.93,-3.8,-9.092061677800398
CCCOc1c(I)cc(/C=C2\N=C(c3cccs3)OC2=O)cc1OCC,C02834834_decoy,ITAL,Decoy,0,-8.59175,-7.03,-1.63,-7.178023988305405
CCN(CC)c1ccc(C=C2C(=O)N(c3ccc(C)cc3)C(=S)N(c3ccc(C)cc3)C2=O)cc1,C02932394_decoy,ITAL,Decoy,0,-6.49606,-4.24,-1.12,-3.6610075435406633
COc1ccc(CCN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1,C08590388_decoy,ITAL,Decoy,0,-7.81624,-5.99,-1.82,-5.349998614635038
C=CCn1c(SCC(=O)c2cc(C)n(-c3ccc(Cl)cc3)c2C)nc2sc3c(c2c1=O)CCC3,C01895872_decoy,ITAL,Decoy,0,-8.51676,-7.54,-2.36,-7.260506151334361
Cc1ccc(-n2c(SCc3cccnc3)nc3c(sc(=S)n3-c3cc(C)ccc3F)c2=O)cc1,C09474183_decoy,ITAL,Decoy,0,-9.61509,-4.68,-3.55,-6.1031117723671455
CCc1ccc2nc(N(Cc3ccccc3)C(=O)CS(=O)(=O)c3ccc(Cl)cc3)sc2c1,C09525100_decoy,ITAL,Decoy,0,-9.15991,-5.03,-2.34,-5.656456525863453
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)c1ccc(Br)s1,C09607115_decoy,ITAL,Decoy,0,-8.92486,-8.67,-4.24,-8.579586268763112
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)N1CCS[C@H]1c1ccccc1F,C10079639_decoy,ITAL,Decoy,0,-7.97102,-6.65,-3.48,-7.259320252310938
CCS(=O)(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2c(SC)cccc2s1,C10819202_decoy,ITAL,Decoy,0,-7.8036,-7.98,-1.55,-10.736932480621793
CC(=O)N(c1nc(COC(=O)c2ccccc2I)cs1)c1ccccc1F,C11437854_decoy,ITAL,Decoy,0,-8.05358,-7.68,-1.93,-9.037127550269652
COc1cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc(Br)c1OCc1ccccc1F,C13940556_decoy,ITAL,Decoy,0,-7.59817,-7.72,-1.54,-6.601398140262477
CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2cccc(Cl)c2)C1C(=O)OC[C@@H]1CCCO1,C00717479_decoy,ITAL,Decoy,0,-8.68981,-5.56,-0.68,-6.327129236751791
COc1cc(/C=C2\N=C(c3cccs3)OC2=O)cc(Br)c1OCc1cccc(F)c1,C01193543_decoy,ITAL,Decoy,0,-8.50999,-6.73,-4.88,-7.516899374749266
Cc1cccc(N2C(=O)/C(=C/c3ccc(OC(=O)c4ccco4)c(Br)c3)SC2=S)c1,C01118986_decoy,ITAL,Decoy,0,-8.25301,-8.51,-3.4,-8.057779092701578
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)S(=O)(=O)c1ccc(F)cc1,C16490378_decoy,ITAL,Decoy,0,-10.4769,-8.86,-1.68,-12.62558965169311
COCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)C(=O)C12CC3CC(CC(C3)C1)C2,C16500737_decoy,ITAL,Decoy,0,-7.13528,-7.03,-2.87,-6.7898602171537865
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1,C16508551_decoy,ITAL,Decoy,0,-8.90248,-8.9,-1.99,-8.70844814317326
CCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2c2ccccc2C)C[C@H]2CCCO2)cc1,C16530413_decoy,ITAL,Decoy,0,-8.92701,-7.21,-1.85,-8.004081037793283
CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)Cc1cccs1,C16570129_decoy,ITAL,Decoy,0,-8.65846,-5.09,-2.57,-5.494908206002482
CCCCCN1C(=O)/C(=C2\SC(=S)N(C[C@H]3CCCO3)C2=O)c2cc(Br)ccc21,C16730970_decoy,ITAL,Decoy,0,-10.125,-5.1,,99.0
O=C(c1ccc2c(c1)CCCC2)N(CCN1CCOCC1)c1nc2ccc(Br)cc2s1,C20743487_decoy,ITAL,Decoy,0,-8.74287,-5.13,-1.91,-5.40781845875219
CCN(Cc1ccc(Br)s1)C(=O)CSc1nnc(-c2ccc(Cl)cc2)n1C,C21274625_decoy,ITAL,Decoy,0,-8.89863,-6.56,-2.4,-6.783528565073076
CCCCOc1ccc(C(=O)/N=C2\N=C3C=CC(I)=CN3Cc3ccccc32)cc1,C03186448_decoy,ITAL,Decoy,0,-10.4001,-10.1,,99.0
O=C(c1cccc2ncccc12)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1,C22203024_decoy,ITAL,Decoy,0,-9.50493,-8.17,-1.88,-8.440618925562898
O=S(=O)(Oc1ccc(Oc2ccccn2)cc1)c1cc(Br)ccc1Br,C25510386_decoy,ITAL,Decoy,0,-8.25191,-7.48,-2.18,-8.900224447278076
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N([C@H](C)CC)C2=O)cc1F,C26533581_decoy,ITAL,Decoy,0,-7.34132,-5.03,-3.58,-5.232576429412087
CCCN1C(=O)[C@H](Cc2nc3ccccc3c(=O)n2Cc2ccccc2)c2cc(Br)ccc21,C27517331_decoy,ITAL,Decoy,0,-9.47572,-8.97,-2.14,-8.888937521091632
O=C(c1cc(=O)c2cc(Br)ccc2o1)N(Cc1cccc2ccccc12)C[C@H]1CCCO1,C27990838_decoy,ITAL,Decoy,0,-8.46388,-11.43,-1.91,-9.675660549295484
CC[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N(CC)C(=O)c1ccc(F)cc1,C35073012_decoy,ITAL,Decoy,0,-9.37308,-6.58,,99.0
O=C(c1cccc(Cl)c1)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1)C1CC1,C35229975_decoy,ITAL,Decoy,0,-9.50625,-10.62,,99.0
COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC1=S,C35446952_decoy,ITAL,Decoy,0,-8.84889,-6.12,-4.15,-7.00922938839727
O=C(c1ccccc1F)N1CCN(Cc2c(-c3ccccc3)nc3ccc(-c4ccccc4)cn23)CC1,C35588822_decoy,ITAL,Decoy,0,-8.43952,-6.83,-3.07,-5.621722858449624
O=C(c1ccc2ccccc2c1)N(CCc1csc2nc(-c3ccccc3)cn12)C[C@H]1CCCO1,C35829763_decoy,ITAL,Decoy,0,-10.0426,-9.2,-2.24,-9.409140951301923
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@H]3[C@H]2C(=O)[C@H](Br)[C@]2(C)[C@@H]([C@@H](C)OC(C)=O)CC[C@@H]32)C1,C36371026_decoy,ITAL,Decoy,0,-8.09157,-4.82,-2.88,-5.1646965753819005
CCC(C)(C)c1ccc(OC(=O)CCN2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@H]3C2=O)cc1,C09371816_decoy,ITAL,Decoy,0,-8.47937,-9.32,-1.99,-9.708465185011088
CC(=O)N(c1nc(CSc2nn(-c3ccccc3)c(=S)s2)cs1)c1cccc(C)c1C,C36661612_decoy,ITAL,Decoy,0,-9.1048,-7.06,-3.25,-7.339793381589281
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1,C39876010_decoy,ITAL,Decoy,0,-8.78436,-10.74,-2.78,-11.24814631655524
CCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(Br)c2)c1,C39876723_decoy,ITAL,Decoy,0,-9.17271,-8.88,-3.48,-8.42346470777288
CCCOc1ccc(CN(C(=O)c2sc3cc(C)ccc3c2Cl)[C@@H]2CCS(=O)(=O)C2)cc1,C39909273_decoy,ITAL,Decoy,0,-8.55314,-8.13,-1.52,-8.679972204137057
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Br)c1)N(CCCOC(C)C)C3=O,C40041855_decoy,ITAL,Decoy,0,-8.41669,-6.1,-1.33,-6.662108169071753
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(CCCOC(C)C)C3=O,C40041943_decoy,ITAL,Decoy,0,-9.15624,-3.76,-2.2,-5.095881033763793
Cc1ccc2c(=O)c3c(oc2c1C)C(=O)N(CCCOC(C)C)[C@@H]3c1cccc(Br)c1,C40063175_decoy,ITAL,Decoy,0,-8.91201,-4.6,-1.73,-5.174077917446795
C[C@@H]1C[C@H]1c1ccc(CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)[C@@H]2CCS(=O)(=O)C2)o1,C47133047_decoy,ITAL,Decoy,0,-9.52395,-8.88,-1.75,-8.693673808719318
CCc1ccc(-n2c(=C(C#N)S(=O)(=O)c3ccc(C)cc3)s/c(=C/c3ccccc3)c2=O)cc1,C59353206_decoy,ITAL,Decoy,0,-8.65423,-7.96,-3.76,-7.6246814889964
O=C(COc1c(F)c(F)c(F)c(F)c1F)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O,C41349075_decoy,ITAL,Decoy,0,-8.65296,-7.24,-2.18,-6.329068431610546
Cc1cccc(/C=C2\Oc3cc(OC(=O)[C@H](C)Oc4c(F)c(F)c(F)c(F)c4F)ccc3C2=O)c1,C41349975_decoy,ITAL,Decoy,0,-8.31874,-7.6,-3.47,-6.5793523450516265
COc1ccc(/C=C2\Oc3cc(OCc4c(F)c(F)c(F)c(F)c4F)cc(C)c3C2=O)cc1OC,C41436062_decoy,ITAL,Decoy,0,-8.46852,-6.49,-1.85,-5.658286930963028
Cn1cc(/C=C2\Oc3cc(OCC(=O)c4ccc(Br)cc4)ccc3C2=O)c2ccccc21,C41437409_decoy,ITAL,Decoy,0,-7.78865,-8.27,-2.93,-6.544631356558922
CSc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nccs2)cc1,C02856746_decoy,ITAL,Decoy,0,-10.1289,-6.37,-2.13,-6.655586457582701
Cc1nn(-c2ccccc2)c(Cl)c1/C=C1\N=C(c2ccc(I)cc2)OC1=O,C00704489_decoy,ITAL,Decoy,0,-7.5864,-5.52,-2.09,-4.805310496129135
Cc1ccc(N2C(=O)/C(=C/c3cn(Cc4cccc(F)c4)c4ccccc34)C(=O)N(C)C2=S)cc1,C00680400_decoy,ITAL,Decoy,0,-9.13123,-8.59,-1.89,-7.111513454867002
Cc1nc2c(c(=O)n1Cc1ccc(Cl)cc1)[C@@H](c1cccs1)c1c(c3ccccc3oc1=O)O2,C08453244_decoy,ITAL,Decoy,0,-8.78545,-6.26,-2.91,-6.289002923927575
COc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1,C02405755_decoy,ITAL,Decoy,0,-9.16556,-4.47,-2.38,-5.602810387381152
O=C(c1ccccc1)[C@H]1[C@H](c2cccnc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12,C09159631_decoy,ITAL,Decoy,0,-8.18747,-5.62,-2.04,-5.187446472118586
CSc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)cc1,C02418224_decoy,ITAL,Decoy,0,-8.34276,-5.56,-1.55,-5.3509448377503945
Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(C4CCCC4)C3=O)c(=O)n2c1,C09361263_decoy,ITAL,Decoy,0,-7.73385,-5.47,-2.45,-5.155896800408779
CCN(CC)c1cc2c(cc1F)c(=O)c(S(=O)(=O)c1ccc(C)c(C)c1)cn2Cc1ccccc1,C09119181_decoy,ITAL,Decoy,0,-9.825,-5.12,-2.45,-6.045286130314665
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccccc1)c1nc2c(F)cccc2s1,C09524877_decoy,ITAL,Decoy,0,-10.3464,-9.96,-2.34,-11.41671836081973
Cc1ccc(-c2csc3nc(SCc4cc(=O)n5c(C)csc5n4)n(C)c(=O)c23)cc1C,C10792972_decoy,ITAL,Decoy,0,-8.15597,-4.9,-3.38,-4.53846341402242
CS(=O)(=O)c1ccc2nc(N(Cc3ccccc3)C(=O)CSc3ccc(F)cc3)sc2c1,C10835082_decoy,ITAL,Decoy,0,-9.90101,-7.92,-3.28,-8.102337328756894
Cc1cc(=O)c(C(=O)N(C)[C@H]2CCOC2)c2n1-c1ccccc1S[C@H](c1ccc(F)c(F)c1)C2,C12056858_decoy,ITAL,Decoy,0,-8.56993,-7.81,-2.1,-7.417880608666374
CCOC(=O)c1c(CS(=O)(=O)c2cccc(C(F)(F)F)c2)oc2c(F)c(F)c(F)c(F)c12,C12369031_decoy,ITAL,Decoy,0,-9.52664,-8.48,-2.79,-9.952734507029648
CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1)C(=O)C[C@H]2c1ccccc1F,C12413061_decoy,ITAL,Decoy,0,-8.11775,-9.89,-3.43,-8.782691428699625
CCN(Cc1ccc(Br)s1)C(=O)Cn1cnc2scc(-c3ccccc3)c2c1=O,C12901087_decoy,ITAL,Decoy,0,-9.40151,-4.56,-3.74,-5.518794620128249
CCOC(=O)[C@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1)C(=O)C[C@@H]2c1ccccc1F,C14944723_decoy,ITAL,Decoy,0,-9.76665,-4.16,-3.15,-6.031486364117278
Cc1cc(=O)c(C(=O)N(C)[C@H]2CCOC2)c2n1-c1ccccc1S[C@H](c1ccc(F)cc1F)C2,C14951865_decoy,ITAL,Decoy,0,-8.96919,-4.39,,99.0
Cc1cc(C)c(S(=O)(=O)N2CCC(C(=O)Oc3ccc(C4SCCS4)cc3)CC2)c(C)c1,C15575391_decoy,ITAL,Decoy,0,-8.57325,-8.58,-3.16,-6.96785498477454
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2)C2CC2)c(C)c1,C16489643_decoy,ITAL,Decoy,0,-9.04236,-8.37,-3.73,-10.545430205204514
CC(C)c1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(Br)c2)s1,C03643768_decoy,ITAL,Decoy,0,-9.94912,-5.24,-1.34,-5.997994287372212
O=C(Cn1cnc2scc(-c3cccs3)c2c1=O)N1CCc2sccc2[C@@H]1c1ccccc1,C25900620_decoy,ITAL,Decoy,0,-9.59674,-9.29,-1.74,-8.366460731854039
C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)C1,C26532083_decoy,ITAL,Decoy,0,-9.00859,-6.34,-2.42,-6.082679137992246
Cc1ccc(Cc2nn3c(=O)/c(=C\c4ccc(I)cc4)sc3nc2=O)cc1,C26779502_decoy,ITAL,Decoy,0,-8.13567,-5.34,-1.89,-4.981739933787485
CC(=O)c1sc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)nc1C,C27460111_decoy,ITAL,Decoy,0,-10.1654,-5.04,-3.23,-5.497438427129379
O=C(CCC1CCCC1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Br)cc1F,C32634990_decoy,ITAL,Decoy,0,-9.10848,-5.19,-3.49,-7.747239555707842
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccncc2)SC(=S)N1Cc1ccccc1Cl,C33808831_decoy,ITAL,Decoy,0,-7.99535,-6.11,-2.82,-5.656255167969985
CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1F)C(=O)c1ccc(C(F)(F)F)cc1,C34703452_decoy,ITAL,Decoy,0,-8.79059,-6.74,-4.5,-6.76134953883682
O=C(c1ccccc1Cl)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1)C1CC1,C35229731_decoy,ITAL,Decoy,0,-9.46552,-10.17,-1.92,-11.593452895086465
Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)c1ccccc1F,C35405700_decoy,ITAL,Decoy,0,-9.94833,-9.6,-2.01,-11.811862779970768
COc1ccc2c(c1)[C@]1(SCCN1C(=O)c1ccc(C)cc1)C(=O)N2Cc1cccc(C(F)(F)F)c1,C36166496_decoy,ITAL,Decoy,0,-8.62247,-9.91,,99.0
CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OS(=O)(=O)c5ccc(C)cc5)CC[C@@]4(C)[C@H]3C(=O)C[C@@]12C,C36372013_decoy,ITAL,Decoy,0,-8.64279,-9.75,-3.22,-7.975977919878499
C=CCON1C(=O)[C@@H]2[C@@H]3O[C@H]([C@@H]2C1=O)[C@@H]1[C@H]3[C@@]2(Cl)C(Cl)=C(Cl)[C@]1(Cl)C2(Cl)Cl,C02874995_decoy,ITAL,Decoy,0,-9.48615,-5.17,-1.5,-6.736040679781222
Cc1ccsc1CN(C(=O)c1oc2ccc(Br)cc2c1C)[C@@H]1CCS(=O)(=O)C1,C08612059_decoy,ITAL,Decoy,0,-8.50029,-7.28,-1.87,-8.157169288741276
Cc1ccsc1CN(C(=O)c1oc2cc(Br)ccc2c1C)[C@H]1CCS(=O)(=O)C1,C08612067_decoy,ITAL,Decoy,0,-9.96431,-8.34,-1.88,-8.395739840577663
O=C(COc1cccc(N2C(=O)[C@@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1)c1ccccc1,C17987203_decoy,ITAL,Decoy,0,-8.95941,-9.77,-2.06,-10.826954947136402
CSc1c2c(n(S(=O)(=O)C(C)C)c1C)-c1nc3ccccc3c(Br)c1C(=O)CC2,C39457337_decoy,ITAL,Decoy,0,-9.17944,-5.98,-1.94,-6.594901113366275
CSn1c(C)c(Br)c2c1-c1nc3ccccc3c(S(=O)(=O)C(C)C)c1C(=O)CC2,C39457724_decoy,ITAL,Decoy,0,-9.15696,-5.01,-1.78,-5.1717095948189575
CC(C)S(=O)(=O)[C@@H]1CCC[C@]2(CCC[C@H](I)N2S(=O)(=O)C(C)C)C1,C39527923_decoy,ITAL,Decoy,0,-7.52247,-3.61,-2.99,-3.537369655862609
CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)cc1,C39875909_decoy,ITAL,Decoy,0,-9.57874,-4.52,,99.0
CC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)cc1,C39875910_decoy,ITAL,Decoy,0,-9.83146,-5.29,-2.32,-5.369402147397831
CCCn1cc(S(=O)(=O)c2ccc(C)c(C)c2)c(=O)c2cc(F)c(N3C[C@H](C)C[C@H](C)C3)cc21,C09119148_decoy,ITAL,Decoy,0,-8.80944,-8.92,-3.28,-8.538940617955321
CCCn1cc(S(=O)(=O)c2ccc(Cl)cc2)c(=O)c2cc(F)c(N3C[C@H](C)C[C@H](C)C3)cc21,C09435361_decoy,ITAL,Decoy,0,-8.96404,-8.64,-2.75,-9.332171475443628
O=S1(=O)CC[C@@H](/N=C/c2cn(-c3ccccc3)nc2-c2ccc(I)cc2)C1,C26965026_decoy,ITAL,Decoy,0,-10.4359,-5.55,-3.21,-6.740419067931003
O=C1[C@H]2[C@@H](ON(c3ccccc3)[C@H]2c2ccc(F)c(Br)c2)C(=O)N1c1ccccc1F,C13788387_decoy,ITAL,Decoy,0,-10.2392,-10.42,-1.25,-11.195877069439192
Cc1cc(/C=C2\C(=O)N(C)C(=S)N(c3ccc(F)cc3)C2=O)c(C)n1-c1cccc2ccccc12,C59594647_decoy,ITAL,Decoy,0,-7.82579,-9.67,-3.96,-7.128130243569567
Cc1c(/C=C2/C(=O)N(C)C(=S)N(c3ccccc3)C2=O)c2ccccc2n1Cc1ccccc1F,C59594802_decoy,ITAL,Decoy,0,-9.1975,-6.36,-2.86,-6.372535416391563
CN1C(=O)/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)C(=O)N(c2ccc(F)cc2)C1=S,C59595096_decoy,ITAL,Decoy,0,-8.18297,-10.24,-3.98,-9.582861722661525
CC(C)(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@H]2N1c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C32506527_decoy,ITAL,Decoy,0,-6.2273,-7.59,-1.45,-7.0628073691156
COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CN1C(=O)[C@H]2CCCC[C@@H]2C1=O,C18122307_decoy,ITAL,Decoy,0,-4.2467,-7.99,-2.69,-5.032004752497862
Cc1ccc2[nH]c(=O)c(CN(C[C@@H]3CCCO3)S(=O)(=O)c3cc(C(F)(F)F)ccc3Cl)cc2c1,C00914014_decoy,ITAL,Decoy,0,-8.27998,-10.03,-2.25,-9.761678327612303
CCc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3ccccc3Br)cc2c1,C00914083_decoy,ITAL,Decoy,0,-8.51328,-8.64,-2.98,-8.364825442048883
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2c(NCc3ccccc3)nc3ccccn3c2=O)SC1=S,C02968023_decoy,ITAL,Decoy,0,-7.69678,-10.07,-2.16,-9.357363236260396
O=C(Nc1nc(-c2cc(Cl)sc2Cl)cs1)[C@H]1CCCN1S(=O)(=O)c1ccc(F)cc1,C08895953_decoy,ITAL,Decoy,0,-8.94086,-7.5,-2.04,-7.338021352990792
CCOc1ccccc1[C@H]1c2[nH]c3ccccc3c2C[C@H]2C(=O)N(CCc3ccccc3F)CC(=O)N12,C02111961_decoy,ITAL,Decoy,0,-9.35675,-8.83,,99.0
CCOc1ccccc1/C=c1/s/c(=C(/C#N)C(=O)N[C@@H](C)c2ccccc2)n(-c2ccccc2)c1=O,C08951693_decoy,ITAL,Decoy,0,-6.55794,-8.82,-3.42,-8.658373249946186
C[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S,C01833241_decoy,ITAL,Decoy,0,-9.06851,-9.39,-2.52,-7.87218128593213
CCn1c(SCC(=O)Nc2c(Br)cc(C)cc2Br)nnc1-c1ccccn1,C02422386_decoy,ITAL,Decoy,0,-8.13683,-8.03,-1.69,-7.478499375010156
O=C(CSc1nnc(NCc2ccc(F)cc2)s1)N1CCC[C@@H](c2nc3ccccc3s2)C1,C09516181_decoy,ITAL,Decoy,0,-8.92671,-8.97,-3.06,-8.467383757645376
Cc1ccc(CNC(=O)Cc2ccc(-n3c(=O)c4sccc4n(Cc4ccccc4F)c3=O)cc2)cc1,C09598973_decoy,ITAL,Decoy,0,-9.49467,-9.22,-3.37,-10.762562776269943
CCCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S,C01251601_decoy,ITAL,Decoy,0,-8.54835,-8.03,-1.61,-7.428629216696152
Cc1cc2oc(=O)cc(COC(=O)C[C@@H]3Sc4ccc(C(F)(F)F)cc4NC3=O)c2cc1Cl,C12426279_decoy,ITAL,Decoy,0,-7.9987,-5.47,-4.26,-5.060668822888038
CCN(Cc1nc2cc(Cl)ccc2c(=O)[nH]1)C(=O)COc1c(C)cc(Br)cc1Cl,C12973209_decoy,ITAL,Decoy,0,-7.78685,-8.09,-2.93,-7.321098603556108
Cc1ccccc1-n1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1ccncc1,C03272419_decoy,ITAL,Decoy,0,-8.88351,-8.83,-2.9,-8.50414722507098
CCOc1ccccc1/C=c1/s/c(=C(\C#N)C(=O)N[C@H](C)c2ccccc2)n(-c2ccccc2)c1=O,C13807428_decoy,ITAL,Decoy,0,-7.49777,-8.6,-4.39,-7.619290581822604
CCc1ccc(Cl)c(CC)c1NC(=O)c1ccc(Cl)c(S(=O)(=O)N2C[C@@H](C)O[C@H](C)C2)c1,C14663833_decoy,ITAL,Decoy,0,-8.77705,-8.38,-1.33,-11.51490097853021
COc1ccc([C@H]2CN3C(=O)CN(CCc4ccccc4F)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1,C02130780_decoy,ITAL,Decoy,0,-8.20596,-8.85,-3.76,-8.047009976264272
CC(=O)Oc1ccc([C@@H]2Nc3c(C(=O)c4ccccc4)cc(Cl)cc3[C@@H]3C=CC[C@H]32)c(OC(C)=O)c1,C16185125_decoy,ITAL,Decoy,0,-7.269,-9.54,,99.0
COc1ccc(/C=C2/SC(=O)N(CNc3ccc(I)cc3C)C2=O)cc1OC,C16282742_decoy,ITAL,Decoy,0,-8.69927,-7.71,-1.54,-10.64535943871449
Cc1ccc(Br)c(NS(=O)(=O)c2ccc(Cl)c(C(=O)N(C)Cc3ccco3)c2)c1,C17791403_decoy,ITAL,Decoy,0,-8.85911,-7.9,,99.0
CC(C)Oc1ccc(S(=O)(=O)N2CCCCC2)cc1NC(=O)c1cc(F)ccc1Br,C19203550_decoy,ITAL,Decoy,0,-9.16117,-9.04,-2.81,-11.790510927581831
CN1CCc2nc(SCC(=O)Nc3sc4c(c3C#N)CCCC4)c(C#N)c(-c3cccs3)c2C1,C19852696_decoy,ITAL,Decoy,0,-10.5246,-7.26,-3.43,-7.509250763064559
CC1(C)CC(=O)C2=C(C1)N(C[C@@H]1CCCO1)C(=O)[C@]2(NC(=O)c1ccc(C(C)(C)C)cc1)C(F)(F)F,C20568294_decoy,ITAL,Decoy,0,-8.57066,-4.7,-2.84,-6.17484962234108
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Br)ccc2OC)cc1OC,C20881709_decoy,ITAL,Decoy,0,-8.47644,-8.42,-2.53,-8.190698944517873
COc1cc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Br)ccc2OC)ccc1OC(C)C,C20882053_decoy,ITAL,Decoy,0,-8.48447,-8.37,-3.24,-7.368316941868913
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(OC)c(Br)cc2OC)cc1,C21223990_decoy,ITAL,Decoy,0,-9.6823,-6.88,-3.13,-10.992867924619162
CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2cc(Br)c(OC)c(OC)c2)cc1,C21230089_decoy,ITAL,Decoy,0,-8.93035,-4.5,-1.2,-5.476335631582958
CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(OC)c(OC)cc2Br)cc1,C21240903_decoy,ITAL,Decoy,0,-8.94037,-3.95,-1.04,-5.359569254800714
CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC)c(Br)c2)cc1OC,C21244286_decoy,ITAL,Decoy,0,-7.38017,-4.87,-1.61,-5.706812041453464
CCOc1cc(C2C3=C(CCCC3=O)NC3=C2C(=O)CCC3)cc(I)c1OCC#N,C23380960_decoy,ITAL,Decoy,0,-9.0424,-6.05,-2.93,-6.580632310892918
CCCS(=O)(=O)N[C@H]1C[C@H]2CC[C@]1(CS(=O)(=O)N1CCC3(CCc4ccccc43)CC1)C2(C)C,C27310738_decoy,ITAL,Decoy,0,-8.54907,-8.49,-3.24,-8.047730348143718
O=C(C[C@H]1SC(N2N=C(c3ccc(F)cc3)C[C@H]2c2cccs2)=NC1=O)Nc1ccccc1F,C28157820_decoy,ITAL,Decoy,0,-9.23693,-8.92,-1.42,-11.64170578806736
O=C(COc1ccc(Br)cc1)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1,C30826437_decoy,ITAL,Decoy,0,-8.12784,-6.98,-3.49,-6.06567683616718
C[C@@H](c1ccccc1)N1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccccc3)c3ccccc32)SC1=S,C01247772_decoy,ITAL,Decoy,0,-10.1446,-8.2,-3.21,-8.02410064143444
CC1(C)[C@@H](C=C(Cl)Cl)[C@@H]1C(=O)Nc1nc(-c2ccc(S(=O)(=O)N3CCCC3)cc2)cs1,C34989273_decoy,ITAL,Decoy,0,-8.67411,-7.4,-2.92,-6.368143280369947
Cc1ccc(S(=O)(=O)CNC(=O)[C@H](c2ccccc2)N(C(=O)C#Cc2ccccc2)C(C)(C)C)cc1,C36586157_decoy,ITAL,Decoy,0,-8.14964,-9.28,-1.91,-8.54348889875891
CN(C)c1cccc([C@@H](NS(=O)(=O)c2cc(Cl)c(Cl)s2)c2ccc(S(C)(=O)=O)cc2)c1,C39195409_decoy,ITAL,Decoy,0,-10.6481,-7.53,-2.54,-8.67517712625891
CN(C)c1cccc([C@@H](NC(=O)C2=Cc3cc(Cl)ccc3OC2)c2ccc(S(C)(=O)=O)cc2)c1,C39196877_decoy,ITAL,Decoy,0,-9.6214,-5.66,-1.78,-7.013163336270053
CC(C)S(=O)(=O)c1cc(O)cc(/C=C2\CCCn3c2nc2c(Cc4ccccc4)cccc2c3=O)c1,C39483140_decoy,ITAL,Decoy,0,-8.66284,-8.37,-2.93,-6.931858091894668
CCOC(=O)c1c(NC(=O)/C(Cc2ccccc2)=C2/SC(=S)N(C)C2=O)sc2c1CCCC2,C39793578_decoy,ITAL,Decoy,0,-9.13159,-8.22,-3.88,-9.13733097135735
Cc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(NCc2ccc(F)cc2)n(C)c(=O)c1C#N,C39851580_decoy,ITAL,Decoy,0,-7.73237,-9.27,-3.83,-9.350618261513652
CCOc1ccc(N2C(=O)[C@H](Cc3cc(C(F)(F)F)ccc3Cl)S/C2=C(\C#N)C(=O)NC)cc1,C39895979_decoy,ITAL,Decoy,0,-7.44357,-8.01,-3.15,-7.235714705469163
Cc1ccc(N2CCN(C(=S)Nc3ccc(S(=O)(=O)N4[C@H](C)CCC[C@@H]4C)cc3)C[C@@H]2C)cc1,C39970628_decoy,ITAL,Decoy,0,-7.75998,-6.39,-4.11,-5.407260792117702
CCOC(=O)[C@H](c1ccccc1)N1C(=O)/C(=C2/C(=O)Nc3ccc(Br)cc32)SC1=S,C40936864_decoy,ITAL,Decoy,0,-8.33448,-4.74,-1.57,-5.635940466529171
O=C(CN1CCN(C(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)CC1)Nc1ccc(OC(F)(F)F)cc1,C18129781_decoy,ITAL,Decoy,0,-7.38322,-9.45,-2.45,-7.603148958495279
[H]/N=C1C(=C/c2cn(Cc3ccccc3C)c3ccccc23)/C(=O)N=C2SC(Cc3cccs3)=NN2/1,C33458298_decoy,ITAL,Decoy,0,-8.19536,-9.46,-3.06,-7.806160622080382
CCN1C(=O)C[C@H](C(=O)Nc2ccc(I)cc2)S/C1=N\c1ccc(OC)cc1,C33411070_decoy,ITAL,Decoy,0,-7.72972,-7.79,-1.55,-8.774629863610407
O=C(CSc1nc2ccccc2s1)Nc1ccc(N2CCN(C(=O)c3ccccc3F)CC2)cc1,C33782508_decoy,ITAL,Decoy,0,-7.68902,-9.15,-2.47,-8.925530411124985
[H]/N=C1C(=C\c2cc(C)n(-c3cc(C)cc(C)c3)c2C)/C(=O)N=C2SC(SCc3ccccc3)=NN2/1,C09193228_decoy,ITAL,Decoy,0,-9.18999,-6.19,-2.85,-7.913542448882048
O=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)NCc1ccc(F)cc1,C33115148_decoy,ITAL,Decoy,0,-8.14032,-6.95,-3.28,-6.636850857526428
COC(=O)c1ccc(CN(Cc2ccc(OC)c(OC)c2)S(=O)(=O)c2c(C)c(C)cc(C)c2C)cc1,C03037552_decoy,ITAL,Decoy,0,-7.28914,-7.6,-2.29,-7.433892419742077
CCSCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccs1,C06197243_decoy,ITAL,Decoy,0,-9.6545,-4.6,-1.82,-6.874523114505029
CSc1cccc2sc(N(CCc3cccs3)C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)nc12,C10097251_decoy,ITAL,Decoy,0,-10.1182,-7.22,-1.56,-10.203569946398114
COc1ccc(S(=O)(=O)CCCC(=O)N(Cc2ccco2)c2nc3c(SC)cccc3s2)cc1,C10821563_decoy,ITAL,Decoy,0,-9.16598,-7.56,-1.51,-14.702945032565722
COc1ccc(SCCCC(=O)N(Cc2ccco2)c2nc3c(S(C)(=O)=O)cccc3s2)cc1,C10828106_decoy,ITAL,Decoy,0,-8.44157,-4.61,-3.48,-5.794045662998664
COc1ccc(S(=O)(=O)CCCC(=O)N(Cc2ccco2)c2nc3ccc(SC)cc3s2)cc1,C10832494_decoy,ITAL,Decoy,0,-8.79276,-6.55,-1.89,-7.776983050630809
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccc(C)cc3s2)cc1,C11066520_decoy,ITAL,Decoy,0,-9.73217,-8.54,,99.0
C[C@@H]1Cc2cc(C(=O)COC(=O)COc3ccc(C4SCCCS4)cc3)ccc2N1S(C)(=O)=O,C13028202_decoy,ITAL,Decoy,0,-7.9794,-5.55,-1.84,-5.492003772569137
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(-c1cn(-c3ccccc3)nc1-c1ccc(OC)cc1)n2C,C13131719_decoy,ITAL,Decoy,0,-8.02672,-5.14,-4.05,-6.233828835297362
CN(c1ccccc1)c1ccc([C@@H](Cc2cc[n+]([O-])cc2)c2ccc(OC(F)F)c(OC(F)F)c2)cn1,C13487912_decoy,ITAL,Decoy,0,-7.9973,-9.38,-2.1,-14.375292963895609
C=CCOc1c(Br)cc(/C=C2/C(=O)N(c3ccc(C(=O)OCC)cc3)N=C2C)cc1OCC,C15932034_decoy,ITAL,Decoy,0,-7.92915,-6.33,-2.15,-6.766909596546831
CCOCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)S(=O)(=O)c1ccc(C)cc1,C16490156_decoy,ITAL,Decoy,0,-8.87263,-7.16,-3.91,-10.237917287292063
COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C)cc1)C(=O)c1cc(OC)cc(OC)c1,C16501999_decoy,ITAL,Decoy,0,-9.46486,-7.62,-2.21,-8.22252237412271
COCCN(Cc1cccn1Cc1ccccc1)C(=O)CN(C(=O)c1ccc(OC)cc1)C1CCCCC1,C16509835_decoy,ITAL,Decoy,0,-7.96319,-7.4,-3.68,-9.252520747274756
COCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C)C(=O)c1cc(OC)cc(OC)c1,C16529598_decoy,ITAL,Decoy,0,-7.81002,-7.95,-1.47,-8.133620120494886
COCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)o1)S(=O)(=O)c1ccc(C(C)(C)C)cc1,C16652202_decoy,ITAL,Decoy,0,-8.16682,-6.71,-3.83,-7.893847302511351
CCOCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)SC1=S,C16729223_decoy,ITAL,Decoy,0,-8.75464,-5.94,-3.46,-7.393681206440999
CC(C)=C(/C(=C\CS(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1)S(=O)(=O)c1ccccc1,C20161358_decoy,ITAL,Decoy,0,-9.46904,-10.06,,99.0
COc1ccc(-c2cc(=O)n(-c3ccc(OC)cc3)c(SCC(=O)N(c3ccccc3)C(C)C)n2)cc1,C28526967_decoy,ITAL,Decoy,0,-6.8251,-8.12,-4.06,-7.614294736870519
CCC(=C/c1sc2cc(OC)c(C)cc2[n+]1CCC(=O)[O-])/C=C1/Sc2cc(OC)c(C)cc2N1CC,C31372066_decoy,ITAL,Decoy,0,-7.65146,-7.09,-3.73,-6.555117687675461
COCCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)c1ccc(C)cc1,C33437710_decoy,ITAL,Decoy,0,-8.06847,-9.37,-3.97,-8.587502634569647
COc1ccc(C(=O)N(CC(=O)N(CCc2ccc(OC)c(OC)c2)Cc2ccc(C)s2)C(C)C)cc1,C33499064_decoy,ITAL,Decoy,0,-7.35562,-7.8,-3.33,-8.482977454779022
CCCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)c1cccc(F)c1,C33500059_decoy,ITAL,Decoy,0,-8.07531,-8.48,-2.31,-8.09422510613427
COCCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Cc1ccccc1,C33609048_decoy,ITAL,Decoy,0,-8.05329,-9.45,-2.55,-9.650633322104865
Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C[C@@H]2CCCO2)S(=O)(=O)c2ccccc2)s1,C33627388_decoy,ITAL,Decoy,0,-9.98883,-7.14,-2.94,-9.145879713528164
CC[C@H](C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1ccc(F)cc1,C34714491_decoy,ITAL,Decoy,0,-7.54653,-8.78,-1.61,-8.674997660048948
Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C[C@@H]2CCCO2)C(=O)c2ccc(Cl)cc2)s1,C34763099_decoy,ITAL,Decoy,0,-9.4534,-8.14,-3.31,-8.737170024877186
C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)Cc1ccc(F)cc1,C35452948_decoy,ITAL,Decoy,0,-9.76288,-10.01,-3.92,-10.87276693830457
C=CCOC(=O)c1sc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2ccc(OCC)cc2)nc1C,C35512355_decoy,ITAL,Decoy,0,-8.737,-4.36,-2.89,-5.470869996129552
O=C(c1ccccc1)N(Cc1cnc(S(=O)(=O)Cc2ccccc2F)n1C[C@H]1CCCO1)CC1CC1,C35665920_decoy,ITAL,Decoy,0,-9.31493,-9.39,-1.99,-9.543846369009833
O=C(CN(C[C@H]1CCCO1)C(=O)c1cc(Cl)cc(Cl)c1)N(Cc1ccc(F)cc1)Cc1ccco1,C35767460_decoy,ITAL,Decoy,0,-9.51371,-9.22,-4.22,-11.88317538124408
O=C(CN(C[C@H]1CCCO1)S(=O)(=O)c1cccc2ccccc12)N(Cc1ccccc1)Cc1ccco1,C35767870_decoy,ITAL,Decoy,0,-9.65776,-9.87,-2.54,-12.676288006051688
CC[C@H](C)N(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)c1cccc(F)c1,C35797825_decoy,ITAL,Decoy,0,-8.2993,-7.46,-2.61,-7.996751517683344
CCn1c(C)c(C(=O)[C@H](C)N(Cc2ccc(F)cc2)S(=O)(=O)c2ccc(F)cc2)c(C)c1C(=O)OC,C36025805_decoy,ITAL,Decoy,0,-9.41343,-8.0,-2.25,-10.305232361507125
COCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)cc1)C(=O)c1ccccc1F,C36115644_decoy,ITAL,Decoy,0,-9.52961,-7.26,-1.62,-8.235641282070448
Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(F)cc2)C[C@H]2CCCO2)cc1,C36121602_decoy,ITAL,Decoy,0,-8.80533,-7.73,-2.45,-7.830313576538487
CCn1cc(C(=O)OCC(=O)c2cc(C)n(-c3cccc(C(F)(F)F)c3)c2C)c(=O)c2ccc(C)nc21,C03311282_decoy,ITAL,Decoy,0,-6.9837,-8.93,-2.28,-9.471205546279707
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C\[C@H]3C=CC=N3)c(=O)n2[C@H]1c1cccc(OC)c1OC,C39350866_decoy,ITAL,Decoy,0,-8.85998,-6.31,-3.18,-9.323261091194032
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)O[C@@H](C)C2)SC1=S,C39769189_decoy,ITAL,Decoy,0,-8.55766,-4.85,-4.64,-6.133911180570914
C=CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)cc1OC,C39838046_decoy,ITAL,Decoy,0,-9.89863,-4.7,-1.92,-5.793829377490119
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1OCC,C39840542_decoy,ITAL,Decoy,0,-7.65081,-7.64,-1.65,-7.34770521285457
CCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1,C39840564_decoy,ITAL,Decoy,0,-8.84155,-7.44,-1.88,-7.256052174534005
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2CCCOC(C)C)cc1OC,C39913948_decoy,ITAL,Decoy,0,-7.87806,-5.52,-1.63,-6.034649343428665
CCCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c(C#N)c1=O,C39991296_decoy,ITAL,Decoy,0,-7.20369,-4.46,-2.26,-5.568860370555613
CCCOc1ccc(CN(C(=O)c2cc(Cl)c(OCCC)c(Cl)c2)[C@H]2CCS(=O)(=O)C2)cc1,C40114705_decoy,ITAL,Decoy,0,-7.85514,-7.52,-1.72,-8.02501760881717
CCCCN(Cc1cccn1C)C(=O)CN(CC(C)C)C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C40368071_decoy,ITAL,Decoy,0,-9.4817,-8.02,-2.73,-10.376295092158722
CCCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OC(C)C)c(OC)c2)SC1=S,C40939019_decoy,ITAL,Decoy,0,-8.3999,-6.3,-3.64,-6.591586537327311
CCCOC(=O)CCCN1C(=O)/C(=C/c2cc(Br)c(OCC)c(OCC)c2)SC1=S,C40939021_decoy,ITAL,Decoy,0,-9.09789,-6.09,-2.13,-7.4014762273563965
CCOC(=O)C(COC)(Oc1ccc(Oc2ccc(I)cc2)cc1)C(=O)OCC,C44126687_decoy,ITAL,Decoy,0,-7.28293,-6.45,-2.93,-6.754284579751392
C=CCOc1c(I)cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)cc1OCC,C59484751_decoy,ITAL,Decoy,0,-8.11506,-6.39,-3.54,-6.329592517167622
C[C@H]1CCCC[NH+]1Cc1c(O)ccc2c(-c3cc4ccccc4oc3=O)cc(=O)oc12,C04353801_decoy,ITAL,Decoy,0,-7.96735,-9.2,-3.33,-7.27720660931638
[H]/N=C1\C(C#N)C2=CC[NH+](Cc3ccccc3)C[C@H]2[C@H](c2ccccc2F)C1(C#N)C#N,C04354534_decoy,ITAL,Decoy,0,-6.99845,-5.16,-3.44,-4.902243116921452
CCc1cc2c(=O)c(-c3nc(C)cs3)coc2c(C[NH+]2CCC[C@@H](C)C2)c1O,C02277994_decoy,ITAL,Decoy,0,-7.63258,-5.36,-2.81,-4.908984237426305
CSc1nc(N2CC[NH2+]CC2)c2sc3nc(C(C)C)c4c(c3c2n1)CCC4,C02403024_decoy,ITAL,Decoy,0,-9.41575,-4.28,-1.17,-5.287654895192807
Cc1nn2c(N3CC[NH+](CCO)CC3)c3c(nc2c1-c1ccccc1)CCCC3,C02431470_decoy,ITAL,Decoy,0,-7.33272,-4.16,-1.41,-4.459991565944269
[H]/N=C1\C(C#N)C2=CC[NH+](CCC)C[C@@H]2[C@H](c2ccc(SC)cc2)C1(C#N)C#N,C04457876_decoy,ITAL,Decoy,0,-8.52682,-3.84,-1.65,-3.997192549370933
Cn1cccc1[C@@H]1CCC[NH+]1Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1,C06971337_decoy,ITAL,Decoy,0,-7.82059,-7.88,-2.59,-8.187294543954296
O=c1[nH]c(C[NH+]2CCC[C@@H]2c2cccs2)nc2scc(-c3ccco3)c12,C07674387_decoy,ITAL,Decoy,0,-8.12039,-7.86,-2.69,-7.249018330504313
[H]/N=C1\C(C#N)C2=CC[NH+](C)C[C@@H]2[C@@H](c2ccc(OC)c(Br)c2)C1(C#N)C#N,C08411187_decoy,ITAL,Decoy,0,-7.76736,-4.6,-2.18,-4.426644758403856
COC(=O)[C@]1(C)[NH2+][C@H](c2cccs2)[C@@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@H]21,C04885738_decoy,ITAL,Decoy,0,-8.16156,-7.97,-3.35,-9.725656433122309
Cc1ccc([C@@H]2C[NH+](C)[C@@]3(C(=O)Nc4ccccc43)[C@@]23COc2ccccc2C3=O)cc1,C08672488_decoy,ITAL,Decoy,0,-6.23681,-5.59,-2.07,-3.8778775498017786
C[C@@H]1CCCC[NH+]1Cc1c(O)ccc2c1O/C(=C\c1cc(Cl)cc3c1OCOC3)C2=O,C08990745_decoy,ITAL,Decoy,0,-7.97911,-5.7,-1.79,-5.687662784001307
Cn1cc(/C=C2/Oc3c(ccc(O)c3C[NH+]3CCCCCC3)C2=O)c2ccccc21,C08993109_decoy,ITAL,Decoy,0,-8.67787,-8.66,-1.64,-7.683753493242784
C[C@H]1CCC[NH+](Cc2c(O)ccc3c2O/C(=C\c2cc4ccccc4o2)C3=O)C1,C09483399_decoy,ITAL,Decoy,0,-8.67071,-7.36,-1.38,-6.397314398143722
Cc1nc(N2CCC([NH+]3CCC[C@H](c4nc5ccccc5[nH]4)C3)CC2)nc2ccc(F)cc12,C11785014_decoy,ITAL,Decoy,0,-8.4612,-6.7,-3.24,-6.106497734839704
COC(=O)[C@]1(C)[NH2+][C@H](c2cccs2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21,C12497278_decoy,ITAL,Decoy,0,-8.33861,-7.96,-2.61,-8.626750373393955
COC(=O)[C@]1(C)[NH2+][C@H](c2ccc(C)cc2)[C@H]2C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]21,C12497321_decoy,ITAL,Decoy,0,-7.55582,-5.77,-1.84,-5.433197607757165
Cc1ccc(-c2cc(C(=O)N3CCC[NH+](Cc4ccc(F)cc4)CC3)n[nH]2)s1,C12535900_decoy,ITAL,Decoy,0,-7.74463,-5.05,-1.94,-5.170419036448736
Cc1c(Cl)ccc2c1NC(=O)[C@@]21[C@H]2C(=O)N(c3ccc(F)cc3)C(=O)[C@@H]2[C@@H]2CCC[NH+]21,C16000223_decoy,ITAL,Decoy,0,-6.23122,-5.94,-2.99,-3.127231018790337
C[NH+]1CCC2(CC1)C1=C(C[C@@H](c3ccccc3)CC1=O)Nc1nc3ccccc3n12,C17081551_decoy,ITAL,Decoy,0,-7.94579,-5.15,-2.16,-4.243601391433546
Oc1nncc(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)c1Cl,C08684330_decoy,ITAL,Decoy,0,-9.28585,-8.84,-1.56,-10.337058496279283
COc1ccc(-c2cc(=O)oc3c(CN4CC[NH+](C)CC4)c(O)ccc23)cc1,C20410995_decoy,ITAL,Decoy,0,-7.03647,-5.38,-1.8,-5.276974501174832
c1cn(-c2ccc(N3CCC([NH2+][C@H]4COC5(CCCCC5)C4)CC3)cc2)cn1,C23478686_decoy,ITAL,Decoy,0,-7.35364,-5.28,-1.45,-4.68101398606049
O=c1[nH]c2cccc(N3CC[NH+](Cc4cccc(-c5ccc(F)cc5)n4)CC3)c2o1,C26397762_decoy,ITAL,Decoy,0,-7.27669,-9.21,-1.82,-6.657933530383575
O=c1c(-c2ccccc2)coc2c(C[NH+]3CCCC[C@H]3c3ccccn3)c(O)ccc12,C27100429_decoy,ITAL,Decoy,0,-8.84836,-6.36,-3.52,-5.883712616346675
O=C1C[C@H]([NH+]2CCc3c([nH]c4ccccc34)[C@@H]2c2ccccc2)C(=O)N1c1cccc(F)c1,C30874389_decoy,ITAL,Decoy,0,-8.21998,-8.62,-2.34,-7.244533409172461
Cc1ccc(-c2nn(C[NH+]3CCN(c4ccc(O)cc4)CC3)c(=S)o2)cc1,C32751107_decoy,ITAL,Decoy,0,-7.92063,-4.97,,99.0
Cc1cccc(C)c1-n1nnnc1C1(N2CC[NH2+]CC2)C2CC3CC(C2)CC1C3,C35170788_decoy,ITAL,Decoy,0,-6.68541,-5.44,-3.87,-5.032193924831227
Oc1ccc(Br)cc1/C=N/N1C(=S)N=[NH+][C@H]1c1ccccc1F,C38980592_decoy,ITAL,Decoy,0,-8.30284,-4.86,-0.62,-4.2397108327759465
Cc1cccc([C@@H]2[NH+]=NC(=S)N2/N=C/c2cc(Br)ccc2O)c1,C38984215_decoy,ITAL,Decoy,0,-7.59755,-8.32,-1.88,-8.255578941310871
Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(=O)Nc3cc(F)ccc3F)CC1)O2,C39226930_decoy,ITAL,Decoy,0,-7.4377,-5.97,-2.22,-5.4228811885862935
C[C@@H]1CCC[NH+](Cc2csc(NC(=O)C3=NC4=C(C(=O)CC(C)(C)C4)[C@@H]3C)n2)C1,C39468750_decoy,ITAL,Decoy,0,-8.17212,-7.22,-1.61,-8.701236262351454
O=C(N/N=C/C1=c2ccccc2=[NH+]C1)C1=C[C@@H](c2ccc(Br)s2)N=N1,C39574785_decoy,ITAL,Decoy,0,-7.03654,-7.6,-2.78,-6.224517953568671
O=C(C[NH+]1CCc2sccc2[C@@H]1c1cccs1)/[NH+]=C1\C=CC2=NC([O-])=NC2=C1,C39729729_decoy,ITAL,Decoy,0,-8.14189,-8.22,-1.68,-9.61687956695624
Cc1cc(O)oc2c/c(=[NH+]/C(=O)Cn3c(-c4ccc(F)cc4)c(C)sc3=O)ccc1-2,C40129333_decoy,ITAL,Decoy,0,-7.63398,-6.38,-2.21,-4.783408455804678
Cc1oc(-c2ccoc2)nc1C[NH+]1CC[C@](O)(c2ccccc2)[C@@H]2CCCC[C@@H]21,C43609939_decoy,ITAL,Decoy,0,-7.76926,-5.45,-2.67,-4.867043877686168
Cc1c(C(=O)Nc2nc(C[NH+]3CCCCC3)cs2)oc2c1C(=O)CC(C)(C)C2,C46916592_decoy,ITAL,Decoy,0,-7.87499,-5.86,-2.97,-5.3402304690626
O=C1Nc2ccc(Br)cc2/C1=N/N=C1/C[C@H](c2ccccc2)[NH+]=N1,C04695778_decoy,ITAL,Decoy,0,-7.17513,-5.71,-1.95,-4.53639863871584
Cc1ccc(C2=NN3C(=[NH2+])/C(=C/c4ccc(C(C)C)cc4)C(=O)N=C3S2)cc1,C23402408_decoy,ITAL,Decoy,0,-7.69075,-5.2,-2.13,-5.220338299447061
Cc1cccc([C@@H](c2sc3nc(C)nn3c2O)N(C)C2CC[NH+](C)CC2)c1,C41635270_decoy,ITAL,Decoy,0,-8.84089,-8.63,-2.7,-9.03095259752021
Cc1oc(C)c(C(=O)Nc2nc3c(s2)C[NH+](Cc2ccccc2)CC3)c1C,C21065997_decoy,ITAL,Decoy,0,-8.29227,-7.07,-0.74,-6.401751625212476
CC1CCC2(CC1)NC(=O)N(CN1CCC(C[NH+]3CCCCCC3)CC1)C2=O,C58913115_decoy,ITAL,Decoy,0,-7.94989,-7.27,-1.43,-9.155558475617743
CC1=NN2C(=[NH+]C3=C(C(=O)C[C@@H](c4ccco4)C3)[C@H]2c2ccc(C(C)C)cc2)N1,C19959910_decoy,ITAL,Decoy,0,-8.33439,-5.39,-2.23,-4.891669288683443
COc1ccc([C@H]2CC(=O)C3=C(C2)N=C2[NH+]=CNN2[C@H]3c2ccccc2C)cc1,C13127070_decoy,ITAL,Decoy,0,-8.36392,-4.82,-1.22,-4.905371036406304
COc1ccc([C@H]2NCCC3=c4ccccc4=[NH+][C@H]32)cc1Cn1nnc2ccccc21,C63349742_decoy,ITAL,Decoy,0,-6.58191,-9.25,-2.17,-6.87088408280218
O=C(NCc1ccc(F)cc1)[C@@H]1CC2=c3ccccc3=[NH+][C@@H]2[C@@H]2c3ccccc3C(=O)N12,C63376080_decoy,ITAL,Decoy,0,-9.10933,-11.45,-2.85,-9.305710745840797
Cc1ccc2c(c1)[C@H]1SC(C(=O)NCCC3=c4ccccc4=[NH+]C3)=C[C@H]1C(=O)O2,C63489341_decoy,ITAL,Decoy,0,-7.99461,-10.07,-2.07,-7.888315912598811
O=C(CN1C(=O)NC2(CCCCC2)C1=O)C1=c2ccccc2=[NH+][C@@H]1c1ccccc1,C40005165_decoy,ITAL,Decoy,0,-8.10461,-10.42,-1.41,-14.142433980935014
Cc1cc(C)c(NC(=O)[C@@H](C)[NH+]2CCC(N3CCO[C@H](C)C3)CC2)c(Cl)c1,C66561427_decoy,ITAL,Decoy,0,-7.49959,-8.17,-1.9,-9.71075338397399
O=C(Nc1nccs1)c1cc2ccccc2o/c1=[NH+]\c1cc(F)ccc1F,C67296074_decoy,ITAL,Decoy,0,-8.86873,-9.06,-2.34,-9.17818626807416
COc1ccc(C(=O)[O-])cc1S(=O)(=O)Oc1ccc2c(=O)c(Oc3ccc(F)cc3)coc2c1,C13185159_decoy,ITAL,Decoy,0,-7.43038,-8.22,-4.26,-8.188375185272822
Cc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)c3cc(C(=O)[O-])ccc3C)cc2)cc1C,C13307907_decoy,ITAL,Decoy,0,-8.58167,-7.65,-4.15,-8.131179454243162
Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)c1,C13315536_decoy,ITAL,Decoy,0,-7.70559,-7.83,-2.81,-8.982195961724646
Cc1ccc(Oc2ccc(Cl)cc2NC(=O)Cn2cnc3sc(C(=O)[O-])c(C)c3c2=O)cc1,C13418590_decoy,ITAL,Decoy,0,-7.46575,-5.33,-1.91,-5.9524229834421885
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)COc2ccc(C(=O)[O-])cc2Br)c1C,C13457587_decoy,ITAL,Decoy,0,-7.88107,-8.01,-2.12,-7.220110063992707
CCN1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)S/C1=N\c1ccc(C(=O)[O-])cc1,C13880164_decoy,ITAL,Decoy,0,-6.83459,-7.54,-2.58,-6.148025173938314
CCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1cc(OC)c([O-])c([N+](=O)[O-])c1,C15276530_decoy,ITAL,Decoy,0,-9.48392,-6.66,-2.72,-7.758777697577501
Cc1c(N2C(=O)/C(=C\c3ccccc3OCC(=O)[O-])SC2=S)c(=O)n(-c2ccccc2)n1C,C16909987_decoy,ITAL,Decoy,0,-9.01791,-5.17,-1.97,-5.5740305953577804
O=[N+]([O-])c1cc(/C=N/c2ccc3nc(-c4cccc(Br)c4)oc3c2)c([O-])c([N+](=O)[O-])c1,C03102961_decoy,ITAL,Decoy,0,-7.17647,-7.35,-1.99,-5.642849108831375
Cc1c(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@H]2c2cccc([N+](=O)[O-])c2)cnn1-c1ccccc1,C01108966_decoy,ITAL,Decoy,0,-7.85995,-6.65,-1.87,-7.145629708502276
Cc1ccc(N2C[C@H](c3nnc(/N=C(\[O-])c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4)s3)CC2=O)cc1C,C20576114_decoy,ITAL,Decoy,0,-7.02043,-6.29,-3.21,-5.46507310369547
Cc1ccc(N2C[C@H](c3nnc(/N=C(\[O-])c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4C)s3)CC2=O)cc1,C20580037_decoy,ITAL,Decoy,0,-6.46488,-7.56,-2.59,-7.279104105581066
[H]/[S+]=c1\nc([O-])c(C2=[NH+]c3ccccc3S[C@@H](c3ccc([N+](=O)[O-])cc3)[CH-]2)c([O-])n1CCCC,C20899297_decoy,ITAL,Decoy,0,-7.26867,-5.95,-3.76,-4.405558558889437
CCCCOc1ccc2c(c1)Oc1cc(O[P@@](=O)([O-])OC)ccc1[C@@]21OC(=O)c2ccccc21,C22062727_decoy,ITAL,Decoy,0,-8.42995,-5.82,-3.63,-5.282107938640208
Cc1ccccc1C(=O)Oc1ccc(Br)cc1/C=N/Nc1nnc(C(C)(C)C)c([O-])n1,C27525685_decoy,ITAL,Decoy,0,-6.60411,-8.38,-2.15,-8.11322859586714
COc1cccc(N2C(=O)N=C([O-])/C(=C\c3cn(CCOc4ccccc4)c4ccccc34)C2=O)c1,C27570522_decoy,ITAL,Decoy,0,-8.61891,-8.45,-2.47,-9.493745193797272
O=[N+]([O-])c1cc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)ccc1Cl,C28244931_decoy,ITAL,Decoy,0,-6.73346,-8.37,-3.35,-7.171868621577573
COc1cc(/N=N\c2ccc([N+](=O)[O-])cc2)cc(/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1[O-],C21966090_decoy,ITAL,Decoy,0,-7.60161,-8.06,-3.03,-8.10420655435921
O=[N+]([O-])c1ccc(S(=O)(=O)N2CCC(c3nc([O-])c4nnn(Cc5ccccc5)c4n3)CC2)cc1,C15907303_decoy,ITAL,Decoy,0,-8.05968,-8.23,-4.41,-7.535449517251642
Cc1c(C(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c([O-])n(Cc2ccco2)c(=O)c1C#N,C38619477_decoy,ITAL,Decoy,0,-8.74013,-8.07,-3.71,-9.713849852653476
CC(C)S(=O)(=O)c1cccc2nc3c4c(n(-c5ccccc5[O-])c(=O)c3cc12)C(=O)C[C@H](F)N4,C39453592_decoy,ITAL,Decoy,0,-8.4063,-5.19,-3.6,-4.955728387086625
CC(C)S(=O)(=O)c1cccc2nc3c4c(n(-c5ccccc5[O-])c(=O)c3cc12)C(=O)C[C@@H](F)N4,C39453593_decoy,ITAL,Decoy,0,-8.37441,-6.6,-3.55,-5.757158888326275
C=CCN1C(=O)[C@@H]2C3=C(CCC3)S[C@@H]2N=C1SCc1nc2sc(C(=O)[O-])c(C)c2c(=O)[nH]1,C39722680_decoy,ITAL,Decoy,0,-10.2857,-8.22,-2.07,-12.201131006841802
C=CCN1C(=O)[C@@H]2C3=C(CCC3)S[C@H]2N=C1SCc1nc2sc(C(=O)[O-])c(C)c2c(=O)[nH]1,C39722681_decoy,ITAL,Decoy,0,-9.7844,-7.76,-2.21,-9.117704758566637
Cc1csc(/N=C2/S/C(=C3\C(=O)N(CC(=O)[O-])c4ccccc43)C(=O)N2C2CCCCC2)n1,C39865626_decoy,ITAL,Decoy,0,-8.53804,-4.53,-2.22,-5.14625042349814
Cc1c(/N=N/c2ccc([N+](=O)[O-])cc2Br)c([O-])n([C@@H](C)c2ccccc2)c(=O)c1C#N,C39870812_decoy,ITAL,Decoy,0,-7.79566,-8.59,-2.38,-8.000845590783102
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)s1,C39999767_decoy,ITAL,Decoy,0,-7.68095,-4.88,-2.45,-5.250112500442213
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4c(C)cccn34)[C@H]2c2cccnc2)nc1C,C40003347_decoy,ITAL,Decoy,0,-8.14308,-6.6,-1.89,-6.412746540749631
CCn1c(SCc2nc3sc(C(=O)[O-])c(C)c3c(=O)[nH]2)nnc1-c1ccc(C(C)(C)C)cc1,C13396530_decoy,ITAL,Decoy,0,-8.32283,-6.29,-2.56,-6.714535981163481
Cc1ccc(-n2c(SCc3nc4cc(C(=O)[O-])ccc4c(=O)[nH]3)nnc2-c2ccccc2)cc1C,C13345712_decoy,ITAL,Decoy,0,-9.14855,-11.21,-3.18,-9.834680989633831
Cc1cccc(-n2c(Cc3ccccc3)nnc2SCc2nc3cc(C(=O)[O-])ccc3c(=O)[nH]2)c1,C13365025_decoy,ITAL,Decoy,0,-9.20706,-9.69,-2.82,-9.318083508439264
CCOc1ccc2nc(NC(/N=C(\[O-])c3ccc(C)cc3)=N\C(=O)c3ccc(C)cc3)nc(C)c2c1,C09330884_decoy,ITAL,Decoy,0,-8.09575,-5.61,-2.92,-5.3858624245445545
O=C1N=C([O-])N(Cc2ccco2)C(=O)/C1=C/c1cn(CCOc2ccccc2Cl)c2ccccc12,C08968980_decoy1,ITAL,Decoy,0,-8.04965,-8.03,,-7.030367265216435
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3[N+](=O)[O-])o2)C([O-])=NC(=S)N1c1ccccc1F,C59136272_decoy,ITAL,Decoy,0,-7.23906,-8.88,-3.77,-6.913657708264539
CCN1C(=O)/C(=C/c2cc(C)n(-c3ccc(N4CCOCC4)c([N+](=O)[O-])c3)c2C)C([O-])=NC1=S,C59182322_decoy,ITAL,Decoy,0,-7.14108,-4.47,-1.93,-4.4537147950679765
Clc1ccccc1-c1ccc(N2N=CN3N=C([N-]c4ccccc4)N/C(=N\c4ccccc4)[C@@H]32)o1,C59226959_decoy,ITAL,Decoy,0,-7.61587,-7.93,-1.07,-6.350544921082809
COC(=O)C[C@H]1C(C)(C)C([O-])=C2C[C@@]3(O)C4=CC(=O)O[C@@H](c5ccoc5)[C@]4(C)CC[C@H]3[C@@]1(C)C2=O,C03978189_decoy,ITAL,Decoy,0,-8.01534,-4.55,-1.64,-5.089803402729243
C=CCN1C(=O)/C(=C\c2cc([N+](=O)[O-])ccc2[O-])S/C1=N/S(=O)(=O)c1ccc([N+](=O)[O-])cc1,C13576470_decoy,ITAL,Decoy,0,-7.89067,-6.85,-1.74,-6.370859342930473
COc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H](c2cccs2)[C@@H]2C(=O)N=C([O-])[C@H]2S3)cc1,C39884166_decoy1,ITAL,Decoy,0,-8.18173,-7.14,,-6.574703938889067
COc1ccc(N2C(=O)N=C([O-])/C(=C/c3cc(I)c(O)c(OC)c3)C2=O)cc1,C17086526_decoy,ITAL,Decoy,0,-7.66653,-6.69,-1.09,-6.606567901572608
Cc1ccccc1/N=C([O-])/C(C#N)=c1\s/c(=C\c2ccc([N+](=O)[O-])cc2)c(=O)n1-c1ccccc1,C09705052_decoy,ITAL,Decoy,0,-6.20438,-5.79,,99.0
COc1cc([C@@H]2CC(=O)N[C@H]3[C@@H]2C([O-])=Nc2nc4ccccc4n23)ccc1OCCc1ccccc1,C39955570_decoy,ITAL,Decoy,0,-8.7897,-6.64,-2.9,-6.01238545729104
O=C1N=C([O-])/C(=C\c2cn(CCOc3ccccc3Cl)c3ccccc23)C(=O)N1Cc1ccco1,C08968980_decoy2,ITAL,Decoy,0,-8.1296,-8.86,,-10.879192508028424
CCCCN1c2ccc([N+](=O)[O-])cc2C[C@]2(C(=O)N=C([O-])N(c3cccc(C)c3C)C2=O)[C@@H]1CCC,C09187065_decoy,ITAL,Decoy,0,-8.37134,-8.34,-4.56,-9.77004922355286
Cc1cc(C)cc(OCCn2cc(/C=C3/C(=O)N=C([O-])N(Cc4ccco4)C3=O)c3ccccc32)c1,C13689549_decoy,ITAL,Decoy,0,-8.54768,-7.63,-3.31,-6.637970502958825
CCO/C([O-])=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1,C00863387_decoy,ITAL,Decoy,0,-8.70167,-8.39,-3.27,-7.9242673467577776
CCO/C([O-])=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1,C00863496_decoy,ITAL,Decoy,0,-7.4901,-4.86,-1.35,-5.030450301631715
COc1ccc([C@H]2c3sc([S-])nc3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1,C16754423_decoy,ITAL,Decoy,0,-10.3192,-8.79,-4.11,-9.396191861408512
COc1ccc([C@@H]2c3sc(=O)n(CC(=O)Nc4ccccc4)c3S[C@H]3C(=O)N=C([O-])[C@H]23)cc1,C39884102_decoy,ITAL,Decoy,0,-8.78095,-7.11,-3.14,-7.125958151449863
COc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H](c2cccs2)[C@@H]2C(=O)N=C([O-])[C@@H]2S3)cc1,C39884166_decoy2,ITAL,Decoy,0,-9.04748,-7.46,,99.0
COc1cc(/C=c2/sc3nc4cc(C)c(C)cc4n3c2=O)cc(Br)c1OCC(=O)[O-],C08454195_decoy,ITAL,Decoy,0,-8.28525,-4.42,-1.87,-4.566274422670187
COc1cc(C(=O)NN=Cc2cccn2-c2ccc(C(=O)[O-])cc2)ccc1I,C04092143_decoy,ITAL,Decoy,0,-7.98934,-4.83,-1.66,-5.461448230857578
CCOc1cc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)cc(Br)c1OC,C09012831_decoy,ITAL,Decoy,0,-9.51782,-7.42,-3.94,-7.584144577034912
COc1cc(I)ccc1C(=O)N/N=C/c1cccn1-c1ccc(C(=O)[O-])cc1,C09261860_decoy,ITAL,Decoy,0,-7.27014,-5.14,-2.94,-5.355161462051857
Cc1ccc(S(=O)(=O)c2nnn(-c3cccc(C(=O)[O-])c3)c2-c2ccc(Br)cc2)cc1,C11730466_decoy,ITAL,Decoy,0,-10.0467,-9.42,-2.06,-10.789287837068391
COc1cccc(N(C(C)=O)c2nc(/C=C3\C[C@H](C)Cc4c3nc3ccccc3c4C(=O)[O-])cs2)c1,C13299797_decoy,ITAL,Decoy,0,-8.90718,-6.15,,99.0
O=C([O-])c1cc(S(=O)(=O)Nc2ccc(-c3nnc4n3CCCCC4)cc2)ccc1Br,C13346327_decoy,ITAL,Decoy,0,-8.55338,-9.13,-1.88,-7.943327243702841
O=C1N=C([O-])/C(=C\c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C(=O)N1c1ccc2c(c1)OCO2,C09259801_decoy,ITAL,Decoy,0,-7.45055,-9.08,-1.53,-6.589886184668839
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@@H]1c1ccc(F)cc1)c1ccc([N+](=O)[O-])cc1,C09370548_decoy,ITAL,Decoy,0,-7.64891,-10.42,-1.26,-11.39275326227337
O=C(C1=C([O-])C(=O)N(C[C@@H]2CCCO2)[C@@H]1c1cccc([N+](=O)[O-])c1)c1ccc(Br)cc1,C01122643_decoy,ITAL,Decoy,0,-6.94915,-5.42,-3.16,-5.103580026564399
O=C1N=C([O-])/C(=C/c2cn(CCOc3ccc(Cl)cc3)c3ccccc23)C(=O)N1c1ccc(F)cc1,C08739460_decoy,ITAL,Decoy,0,-7.59701,-8.36,-2.26,-7.059519222110316
COc1cccc(C(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)c1OC,C21112905_decoy,ITAL,Decoy,0,-6.03638,-5.96,,99.0
O=C(N/N=C/c1cc(Br)cc(I)c1[O-])c1cccc([N+](=O)[O-])c1,C01193113_decoy,ITAL,Decoy,0,-8.60689,-5.54,-2.23,-5.492804985562564
COC(=O)c1sc(N2C(=O)C([O-])=C(S(=O)(=O)c3ccc(C)cc3)[C@H]2c2ccc(C)cc2)nc1C,C24193061_decoy,ITAL,Decoy,0,-8.7325,-7.83,-3.09,-8.421560578711102
O=C(c1ccc(Cl)c([N-]S(=O)(=O)c2ccc(F)cc2)c1)N1CCC[C@H]1c1nnc2ccccn12,C24499205_decoy,ITAL,Decoy,0,-9.62025,-9.85,-1.59,-12.269606685326968
COc1cc(C(=O)N/N=C\c2cccn2-c2ccc(C(=O)[O-])cc2)ccc1I,C30902182_decoy,ITAL,Decoy,0,-8.12851,-5.33,-3.64,-6.052899194024239
COc1ccc(Cl)cc1S(=O)(=O)[N-]c1cc(C)c2nc(NC(=O)c3ccccc3)sc2c1,C33007840_decoy,ITAL,Decoy,0,-8.18007,-7.41,-2.37,-8.535327401359423
Cc1cccc(NC(=O)Cn2cc(/C=C(\C#N)c3nc([O-])c4ccccc4n3)c(-c3ccccc3)n2)c1,C34988204_decoy,ITAL,Decoy,0,-8.80584,-9.21,-2.19,-8.583374914939524
Cc1cc(C)c2nc(N3C(=O)C([O-])=C(C(=O)c4sc(C)nc4C)[C@@H]3c3cccc(O)c3)sc2c1,C35566510_decoy,ITAL,Decoy,0,-9.2686,-8.91,-2.93,-8.889969271499327
O=C([O-])CSc1cc(C(=O)c2ccccc2O)cn2c(=O)c3c(-c4ccccc4)csc3nc12,C03426103_decoy,ITAL,Decoy,0,-8.02714,-5.45,-4.19,-5.105164843708311
O=C([O-])c1cccc(-c2ccc(/C=N/N3C(=O)[C@@H]4C5c6ccccc6C(c6ccccc65)[C@H]4C3=O)o2)c1,C13153720_decoy,ITAL,Decoy,0,-7.61331,-10.24,-1.62,-6.705972602200629
O=C(C1=C([O-])C(=O)N(C[C@H]2CCCO2)[C@H]1c1ccc([N+](=O)[O-])cc1)c1ccc(Br)cc1,C38241529_decoy,ITAL,Decoy,0,-8.75882,-5.23,-3.18,-5.532792406959904
CCO[C@@H]1CC(=O)c2c(c3nc4cccc(S(=O)(=O)C(C)C)c4cc3c(=O)n2-c2ccccc2[O-])N1,C39455921_decoy,ITAL,Decoy,0,-5.62313,-4.44,-4.66,-3.402754943571027
C[C@H]1CCCC[C@@H]1N([C@@H]1N=NC(=S)S1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br,C39679939_decoy,ITAL,Decoy,0,-8.31022,-7.97,-2.87,-9.57326927317571
Cc1ccc(-n2c(SCc3nc4c(c(=O)[nH]3)[C@H](C(=O)[O-])[C@H](C)O4)nnc2-c2cccc(C)c2)cc1,C39692312_decoy,ITAL,Decoy,0,-7.80348,-10.35,-2.23,-10.46474467023214
Cc1ccc(-n2c(SCc3nc4c(c(=O)[nH]3)[C@@H](C(=O)[O-])[C@H](C)O4)nnc2-c2cccc(C)c2)cc1,C39692313_decoy,ITAL,Decoy,0,-6.75113,-10.36,-2.0,-7.675355865512895
COc1ccc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc([N+](=O)[O-])cc3)ccc2c1,C39848827_decoy,ITAL,Decoy,0,-7.90207,-9.11,-3.84,-10.40516523858158
CCOC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@H]1[C@H](c2ccc(OC)cc2)c2sc([S-])nc2S[C@H]31,C39886393_decoy,ITAL,Decoy,0,-9.03249,-7.55,-1.88,-7.273924294886207
CCc1nnc(/N=C([O-])/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(Br)cc2)s1,C39997917_decoy,ITAL,Decoy,0,-8.40579,-5.55,,99.0
CSc1nnc(/N=C([O-])/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3c(c2)C[C@H](C)O3)s1,C39998013_decoy,ITAL,Decoy,0,-8.08964,-6.26,-2.83,-7.476730670162295
Cc1ccccc1-n1c(SCc2cc(=O)[nH]c3sc(C(=O)[O-])c(C)c23)nc2ccccc2c1=O,C13412208_decoy,ITAL,Decoy,0,-8.76787,-7.37,-3.75,-7.3839584525645
CCCn1c(SCc2cc(=O)[nH]c3sc(C(=O)[O-])c(C)c23)nc2sc3c(c2c1=O)CCC3,C13415967_decoy,ITAL,Decoy,0,-8.76882,-5.66,-3.07,-5.933077340138881
O=S(=O)([N-]c1ccc(Cl)c(-c2nnc3n2CCCCC3)c1)c1ccccc1OC(F)(F)F,C46541251_decoy,ITAL,Decoy,0,-7.94335,-9.46,-2.87,-8.132192592843582
Cc1ccc2c(Nc3ccc(S(=O)(=O)[N-]c4nc(-c5ccccc5)cs4)cc3)cc(C)nc2n1,C47162484_decoy,ITAL,Decoy,0,-8.68052,-7.5,-2.24,-6.518319965877921
COc1ccc(S(=O)(=O)N2CCCc3cc([N-]S(=O)(=O)c4ccc(F)c(F)c4)ccc32)cc1,C49506515_decoy,ITAL,Decoy,0,-7.66024,-7.25,-2.37,-6.123914979161583
CC1=NN(c2ccc(Br)cc2C)C(=O)/C1=C/c1c([O-])[nH]c(=O)n(-c2cccc(C)c2)c1=O,C16349883_decoy,ITAL,Decoy,0,-7.26149,-5.45,-3.46,-4.758862683116691
Cc1cc(C)cc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(N5CCOCC5)cc4)c3C)C([O-])=NC2=S)c1,C59087203_decoy,ITAL,Decoy,0,-8.14654,-10.09,,99.0
COC(=O)c1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3[O-])c2C)c(C)c1,C59136191_decoy,ITAL,Decoy,0,-9.07422,-8.26,-1.49,-10.997500207027326
COC(=O)c1ccc(Cl)c(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3[O-])c2C)c1,C59136214_decoy,ITAL,Decoy,0,-9.47093,-5.34,,99.0
N#Cc1ccccc1CN1C(=O)S/C(=C\c2cn(Cc3cccc(C(=O)[O-])c3)c3ccccc23)C1=O,C34107898_decoy,ITAL,Decoy,0,-8.62602,-8.03,-3.01,-7.945549101079626
COC(=O)[C@@H]1C(=O)/C(=C(/[O-])OC)[C@@H](c2cccc3ccccc23)C(C#N)(C#N)[C@H]1c1cccc2ccccc12,C39316303_decoy,ITAL,Decoy,0,-8.78242,-5.5,-4.24,-5.99176537540986
CCOc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=O)N=C2[O-])cc(I)c1O,C38185293_decoy,ITAL,Decoy,0,-8.05285,-5.23,-1.87,-5.510497411182237
COc1ccc(N2C(=O)/C(=C/c3ccc(-c4ccc(Cl)c(Cl)c4)o3)C([O-])=NC2=S)c(OC)c1,C59594960_decoy,ITAL,Decoy,0,-8.8349,-8.08,-1.99,-7.104738550237489
COc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc(C)cc4C)c3C)C([O-])=NC2=S)c(OC)c1,C59595901_decoy,ITAL,Decoy,0,-7.66799,-8.45,-3.92,-7.129437111861945
C#CCOc1cc(Br)c(/C=C2/S/C(=N\c3ccc(C(=O)[O-])cc3)N(C)C2=O)cc1OC,C59597205_decoy,ITAL,Decoy,0,-8.87839,-3.92,-1.73,-6.088481191093184
Cc1c(Br)ccc(N2C(=O)N=C([O-])/C(=C/c3cc([N+](=O)[O-])ccc3N(C)C)C2=O)c1C,C59860166_decoy,ITAL,Decoy,0,-7.81167,-4.82,-2.95,-4.198112830396004
Cc1ccccc1/N=C1\N=C([S-])N(c2c(C)n(C)n(-c3ccccc3)c2=O)[C@]12CCOC(C)(C)C2,C13748406_decoy,ITAL,Decoy,0,-8.44491,-8.98,-3.46,-7.72485220524244
Cc1cc(C)nc(-n2ncc3c([O-])nc(S[C@H](C)C(=O)Nc4ccc(Cl)cc4Cl)nc32)n1,C09349215_decoy,ITAL,Decoy,0,-8.62414,-8.13,-2.99,-8.460849119785177
Cc1nc(-c2cc(S(=O)(=O)[N-]c3cccc(F)c3)c(C)n2C)sc1C(=O)N1CCC(C)CC1,C65036180_decoy,ITAL,Decoy,0,-7.59715,-8.13,-2.65,-6.961096223169761
Cc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3)c(C)n2C)sc1C(=O)N1CCCCCC1,C65036279_decoy,ITAL,Decoy,0,-8.03091,-8.39,-2.7,-7.153284944362417
Cn1c(Sc2ccc3c(C(F)(F)F)cc(C(F)(F)F)nc3n2)nnc1C(C)(C)n1cncn1,C01396555_decoy,ITAL,Decoy,0,-6.7456,-9.43,-1.82,-7.170109367876621
O=C(Oc1c(-c2ccco2)oc2ccccc2c1=O)[C@H](c1ccccc1)N1C(=O)c2ccccc2C1=O,C01972175_decoy,ITAL,Decoy,0,-6.58311,-10.25,-2.14,-8.260396169446373
COC(=O)[C@H](C)Sc1nnc2n(-c3cccc(C)c3)c(=O)c3c4c(sc3n12)CO[C@H](C(C)C)C4,C01282654_decoy,ITAL,Decoy,0,-8.567,-5.11,-3.61,-5.99394215734368
COc1cc2c(cc1OC)[C@H]1Cc3c(cnc4cc(-c5sccc5-n5c(C)ccc5C)nn34)C(=O)N1CC2,C01390405_decoy,ITAL,Decoy,0,-9.13501,-5.32,-3.87,-5.523910290574745
CCOc1ccc(N(Cc2cc(=O)n3cc(Cl)ccc3n2)C2=N[C@@H]3CS(=O)(=O)C[C@H]3S2)cc1,C09003902_decoy,ITAL,Decoy,0,-10.0895,-8.6,-3.05,-8.768953837695445
COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)cc1OC,C09159957_decoy,ITAL,Decoy,0,-9.32739,-4.78,-3.44,-5.964680927376021
CC(=O)Oc1ccc(N(C(C)=O)S(=O)(=O)c2ccc3c4c(cccc24)C(=O)N3C)c2ccccc12,C09289599_decoy,ITAL,Decoy,0,-7.82926,-9.54,,99.0
COc1ccc(-n2c(-c3ccccc3)cn3c4c(=O)n(Cc5ccc(F)cc5)c(=O)n(C)c4nc23)cc1,C09297607_decoy,ITAL,Decoy,0,-8.5841,-10.13,-4.2,-8.015295668048218
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ncn4nc(COc5ccc(C)cc5)nc4c32)cc1,C02329152_decoy,ITAL,Decoy,0,-9.86125,-5.84,-4.0,-5.843173595068824
COc1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3Oc3ncn4nc(Cc5ccccc5)nc4c32)cc1,C09583955_decoy,ITAL,Decoy,0,-7.50973,-5.02,-2.48,-4.5096590299202015
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N4CCc5ccccc5C4)c3)CC2)cc1C,C04125093_decoy,ITAL,Decoy,0,-7.26582,-9.11,-1.9,-6.829284806567001
O=[N+]([O-])c1ccc(N2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)cc1N1CCc2ccccc2C1,C13632921_decoy,ITAL,Decoy,0,-9.54882,-7.71,-2.94,-7.026173788228591
CC1(C)CC(=O)C2=C(C1)Oc1ncn3nc(CSc4nc5ccccc5o4)nc3c1[C@H]2c1ccccc1,C02407316_decoy,ITAL,Decoy,0,-7.56081,-8.12,-1.61,-6.644521976213788
CN(Cc1ccc(-c2ccc(Cl)cc2)o1)C(=O)CSc1nnc2n(C)c(=O)c3ccccc3n12,C16323266_decoy,ITAL,Decoy,0,-7.90379,-6.39,-1.99,-6.037146312556099
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(=O)c(C)nn3c2=O)cc1F,C16733756_decoy,ITAL,Decoy,0,-8.34408,-6.9,-4.04,-6.4656011324213285
COc1ccc(/C=C2/C(=O)N=C(S)N(c3ccc(C)cc3)C2=O)cc1CN1C(=O)c2ccccc2C1=O,C17180699_decoy,ITAL,Decoy,0,-8.48169,-8.82,-3.32,-7.3150472100889425
Cc1ccc(Cn2c(SCC(=O)N3CCCC3)nc3c(sc4ccc([N+](=O)[O-])cc43)c2=O)cc1,C02960364_decoy,ITAL,Decoy,0,-8.55545,-7.6,-2.82,-8.344878644669208
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)c1,C20662743_decoy,ITAL,Decoy,0,-7.9571,-5.81,-1.04,-5.491259188006696
Cc1ccc(N2C(=O)/C(=C\c3ccc(N(C)C)cc3)S(=O)(=O)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1C,C20662767_decoy,ITAL,Decoy,0,-7.20106,-5.08,-2.23,-4.987064726485917
CCc1nn2c(=O)cc(COC(=O)c3c4c(nc5ccccc35)/C(=C/c3ccco3)CCC4)nc2s1,C21601896_decoy,ITAL,Decoy,0,-9.31722,-6.74,-1.54,-6.1348876363551685
O=C(Cn1cnc2scc(-c3ccc(F)cc3)c2c1=O)N1N=C(c2ccco2)C[C@@H]1c1ccco1,C24094639_decoy,ITAL,Decoy,0,-9.15055,-9.48,-2.95,-9.52289754264087
Cn1c(SCC(=O)N2CCN([C@H]3CCS(=O)(=O)C3)CC2)nnc1-c1ccc(C(C)(C)C)cc1,C24142680_decoy,ITAL,Decoy,0,-8.67012,-7.59,-1.71,-7.75323681651958
COc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1,C26840866_decoy,ITAL,Decoy,0,-8.79557,-8.49,-1.79,-9.147154117069633
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(Cc2ccccc2)/c1=N\C(=O)c1ccc(C)cc1,C09414180_decoy,ITAL,Decoy,0,-7.2489,-4.78,-4.16,-4.847865860772038
COc1ccc(N2C(=O)[C@H]3[C@@H](c4ccccc4C)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1OC,C18144892_decoy,ITAL,Decoy,0,-7.49177,-5.92,-1.47,-5.720446031590217
Cc1cc(C)n(-c2nc(N(N3CCCCC3)N3CCOCC3)c3c(-c4ccccc4)csc3n2)n1,C34787517_decoy,ITAL,Decoy,0,-8.74608,-5.0,-2.58,-5.298520635632398
CCOC(=O)C1=C(C)C2[C@H]3C(=O)N(c4cccc(C)c4)C(=O)[C@H]3C1(C)[C@H]1C(=O)N(c3cccc(C)c3)C(=O)[C@H]21,C15930341_decoy,ITAL,Decoy,0,-7.47793,-5.88,-2.45,-6.040296890835865
CC(=O)Oc1ccccc1-c1nc2s/c(=C3\C(=O)N(Cc4ccc(C)cc4)c4ccccc43)c(=O)n2n1,C34988048_decoy,ITAL,Decoy,0,-8.70955,-5.94,-2.92,-5.6103903525264105
CCOC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(OC)cc2)nc1C,C35513049_decoy,ITAL,Decoy,0,-8.77154,-4.44,-2.2,-5.201867300629289
Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4c4nnc(-c5ccccc5)n34)C[C@@H]2C)cc1,C35890506_decoy,ITAL,Decoy,0,-7.92342,-7.1,-3.53,-6.736082539770078
CC(C)(C)c1ccc(C(=O)N2CCN(Cc3c(-c4ccc([N+](=O)[O-])cc4)nc4sccn34)CC2)cc1,C35893139_decoy,ITAL,Decoy,0,-8.91051,-5.83,-2.61,-6.0106704845246055
Cc1nn(C)cc1-c1nn(S(=O)(=O)c2ccc(Br)s2)c(-c2cn(C)nc2C)c1Cl,C36611541_decoy,ITAL,Decoy,0,-8.38814,-4.92,,99.0
Cc1ccc(Cc2nc(N3CCN(S(C)(=O)=O)CC3)c3c(C)nn(-c4ccc(F)cc4)c3n2)cc1,C37379561_decoy,ITAL,Decoy,0,-8.67526,-6.32,-1.95,-5.907790155793812
CCOc1cc(S(=O)(=O)Oc2ccccc2)cc2c1N(C)c1ncnc(Cl)c1N=C(Cl)C2,C39480571_decoy,ITAL,Decoy,0,-8.64936,-6.56,-3.37,-6.444360214886242
CO[C@@H]1C(=O)c2cc3c(cc2[C@@H](c2cccc(S(=O)(=O)Oc4ccccc4)c2)[C@@H]1C(C)=O)OCO3,C39483774_decoy,ITAL,Decoy,0,-9.04864,-7.87,-4.47,-8.672434191036755
CCOc1cc2c(=O)n3c(nc2cc1OC)-c1c(c2ccccc2n1S(=O)(=O)c1ccccc1)CC3,C39542004_decoy,ITAL,Decoy,0,-8.40983,-4.94,-2.37,-5.799630251475273
CCCc1nnc(N2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)s1,C40041152_decoy,ITAL,Decoy,0,-8.64655,-8.74,-2.21,-7.85663089351182
CCOc1cccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)c1,C40045773_decoy,ITAL,Decoy,0,-8.47344,-4.25,-2.26,-5.613915108888051
C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2c2nnc(C)s2)cc1OC,C40062031_decoy,ITAL,Decoy,0,-8.34875,-5.37,-3.02,-5.41428858205607
COc1cc([C@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc(OC)c1OC,C40064331_decoy,ITAL,Decoy,0,-8.13238,-4.43,,99.0
CCc1nnc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)s1,C40561002_decoy,ITAL,Decoy,0,-8.36741,-8.32,-2.66,-7.318021570635771
O=c1cc(CN2CCN(S(=O)(=O)c3cccs3)CC2)nc2sc(-c3cccc(F)c3)nn12,C41077462_decoy,ITAL,Decoy,0,-9.08923,-6.93,-1.75,-6.522748816773668
Cc1ccn2c(=O)cc(CSc3nnc(SCc4cc(=O)n5ccc(C)cc5n4)s3)nc2c1,C45251931_decoy,ITAL,Decoy,0,-8.69542,-8.62,-2.42,-8.394769778561413
COC(=O)c1ccccc1N1C(=O)[C@@H]2[C@H](C1=O)[C@H](C(=O)c1ccc(F)cc1)N1N=Cc3ccccc3[C@@H]21,C13771017_decoy,ITAL,Decoy,0,-8.85665,-9.54,-2.85,-8.38631335418468
N#C/C(=C/c1ccc(-c2ccc([N+](=O)[O-])cc2Br)o1)C(=O)N1CCN(c2ccccc2)CC1,C33352291_decoy,ITAL,Decoy,0,-7.71917,-8.1,-2.64,-7.855833037966487
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4ccc5c(c4)OCO5)c3C)C(=O)N(C)C2=S)cc1,C59595867_decoy,ITAL,Decoy,0,-7.90632,-5.81,-3.44,-5.440690546545051
Cc1ccccc1OCC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1,C35535476_decoy,ITAL,Decoy,0,-7.65548,-5.96,-3.2,-5.95336251042414
CCOc1ccccc1[C@H]1OCC(C)(C)n2c(-c3ccc(OC)cc3)c3c(=O)n(C)c(=O)n(C)c3c21,C35373058_decoy,ITAL,Decoy,0,-7.55609,-4.45,-2.78,-4.832146285572001
C[C@H]1Cc2ccccc2N1C(=O)C1CCN(S(=O)(=O)c2cc(-c3noc(C4CCC4)n3)cs2)CC1,C35558309_decoy,ITAL,Decoy,0,-9.04028,-7.68,-2.81,-6.523177177221768
Cc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc1,C65330888_decoy,ITAL,Decoy,0,-8.31552,-8.25,-2.87,-6.194134487259364
O=C([O-])c1ccccc1/C=N/NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1,C20059483_decoy,ITAL,Decoy,0,-8.62237,-9.46,-3.84,-9.159245997068798
O=C(CCCCCn1c([S-])nc2ccc(Br)cc2c1=O)N1CC=C(c2ccccc2)CC1,C02973905_decoy,ITAL,Decoy,0,-7.88505,-8.02,-2.69,-6.409719815033484
CCOC(=O)c1cc(CC)sc1Nc1nc2ccccc2nc1[N-]S(=O)(=O)c1ccc(Cl)cc1,C06146065_decoy,ITAL,Decoy,0,-9.93321,-8.54,-2.85,-10.140792386289837
Cc1cc(/C=N/NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c(C)n1-c1ccc(Cl)cc1,C25424686_decoy,ITAL,Decoy,0,-9.2398,-5.24,-3.98,-6.013966997257259
CCCCOC(=O)c1c(C)oc2ccc([N-]S(=O)(=O)c3ccc4c(c3)C(=O)c3ccccc3C4=O)cc12,C26460835_decoy,ITAL,Decoy,0,-7.80518,-6.04,-2.92,-5.708729987159064
O=C(C[C@H]1SC(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)=NC1=O)Nc1ccc(C(=O)[O-])cc1,C28156947_decoy,ITAL,Decoy,0,-8.97817,-9.87,-1.67,-10.399839741237072
O=C(C[C@@H]1SC(N2N=C(c3ccc(F)cc3)C[C@H]2c2ccccc2)=NC1=O)Nc1ccc(C(=O)[O-])cc1,C28156952_decoy,ITAL,Decoy,0,-8.94635,-8.33,-1.27,-10.949557814243487
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@@H]2c2ccc(I)cc2)o1,C33533942_decoy,ITAL,Decoy,0,-9.0192,-7.93,-1.73,-8.087318898753729
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@H]2c2ccc(I)cc2)o1,C33533943_decoy,ITAL,Decoy,0,-9.09708,-9.44,-1.76,-9.015689924045333
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@H]2c2ccc(Br)cc2)cc1,C33535145_decoy,ITAL,Decoy,0,-9.82021,-8.86,-1.55,-14.037242812581288
O=C([O-])CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)SC1=S,C33594871_decoy,ITAL,Decoy,0,-6.8942,-6.19,-3.46,-6.343960069474375
CCc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1,C33814081_decoy,ITAL,Decoy,0,-10.0708,-5.98,-3.83,-6.882019375795418
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@@H]2c2ccc(O)cc2)c1,C35342536_decoy,ITAL,Decoy,0,-9.62198,-8.91,-2.06,-9.070389379754692
O=C(CN(C1CCCCC1)S(=O)(=O)c1ccc(Br)cc1)N/N=C\c1ccc(C(=O)[O-])cc1,C35409513_decoy,ITAL,Decoy,0,-8.84301,-7.57,-3.66,-8.301991553955734
COCCN1C(=O)C([O-])=C(C(=O)c2nc3c(C)cccn3c2C)[C@H]1c1ccc(OCc2ccccc2)cc1,C35484155_decoy,ITAL,Decoy,0,-7.3697,-8.88,-3.38,-8.041455119001933
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)/C(C#N)=C/c1ccc(-c2ccc(C(=O)[O-])cc2)o1,C33939648_decoy,ITAL,Decoy,0,-8.27392,-6.1,-2.01,-5.818487644333484
CCCCOc1cccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1,C35566075_decoy,ITAL,Decoy,0,-9.045,-8.13,-3.47,-9.30771736541272
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3C)[C@H]2c2ccc(C)cc2)nc1C,C00631098_decoy,ITAL,Decoy,0,-8.51531,-4.97,-4.21,-5.922924975308878
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])Nc3ccc(F)cc3)N2[C@H]1c1cc(OC)cc(OC)c1,C35694240_decoy,ITAL,Decoy,0,-8.9026,-5.83,,99.0
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccccc2C)N2C(/C=C(\[O-])NCc3ccncc3)=CSC2=N1,C35696929_decoy,ITAL,Decoy,0,-6.99764,-8.38,-3.22,-7.099937794309716
Cc1ccccc1Cc1nn(-c2ccccc2C)c([O-])c1/C=C1\NC(=O)N(Cc2ccc(F)c(F)c2)C1=O,C35829509_decoy,ITAL,Decoy,0,-7.76737,-9.67,-2.66,-7.688016189201806
[S-]/C(=N\C1=C(Cl)[C@H](Cc2ccc(Cl)c(Cl)c2)N=N1)N(Cc1ccccc1)Cc1ccccc1,C22840443_decoy,ITAL,Decoy,0,-9.7433,-6.65,-2.09,-7.641405001387713
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)ccc2Cl)C1,C06171966_decoy,ITAL,Decoy,0,-8.06754,-9.93,-2.57,-9.092611431339291
CCc1ccc([C@H](C[N-]S(=O)(=O)Oc2ccccc2)N2CCN[C@H](I)C2)cc1,C39532441_decoy,ITAL,Decoy,0,-9.89159,-9.49,-3.38,-10.00293513002656
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c(C)c1,C39835855_decoy,ITAL,Decoy,0,-9.61289,-8.79,-2.16,-10.999689035371857
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@@H]2c2ccc(SC)cc2)cc1,C40000020_decoy,ITAL,Decoy,0,-8.09181,-7.52,-3.87,-7.484674827543272
CCCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nnc(SCC)s2)cc1,C40000521_decoy,ITAL,Decoy,0,-8.18179,-5.75,-3.71,-7.190974884216954
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCCCCC(=O)[O-])C2=O)cc1C,C40016274_decoy,ITAL,Decoy,0,-9.38398,-7.7,,99.0
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)c(C)c2)[C@H]1c1cc(Br)c(O)c(OC)c1,C40085891_decoy,ITAL,Decoy,0,-8.25323,-8.26,-1.9,-8.040176929369798
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@H]1c1ccccc1Br,C40110965_decoy,ITAL,Decoy,0,-8.55581,-9.2,-2.41,-13.476639535370593
C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2Cc2ccc(C)cc2)cc1OC,C39898961_decoy,ITAL,Decoy,0,-9.30461,-8.51,-1.95,-11.097638121088332
C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2Cc2ccc(C)cc2)cc1OC,C39898962_decoy,ITAL,Decoy,0,-7.92597,-8.31,,99.0
C=CCOc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2Cc2ccc(F)cc2)cc1OC,C39899076_decoy,ITAL,Decoy,0,-9.73919,-5.35,-2.32,-6.365127990543609
C=CCOc1ccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCc2ccc(OC)cc2)cc1,C39899155_decoy,ITAL,Decoy,0,-9.33715,-9.21,-3.08,-13.48669450816985
CCc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCc2ccc(OC)c(OC)c2)cc1,C39899182_decoy,ITAL,Decoy,0,-9.85456,-9.25,-2.79,-10.40192065055918
COc1ccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2CCc2ccc(OC)c(OC)c2)cc1,C39899186_decoy,ITAL,Decoy,0,-9.5031,-8.41,-1.7,-9.71882475704386
CC(C)(c1ccccc1)c1ccc(OCC(=O)N/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])cc1,C40866582_decoy,ITAL,Decoy,0,-7.37704,-9.27,-3.11,-8.167362005056905
Cc1ccc(OCCCC(=O)Nc2ccc(S(=O)(=O)[N-]c3onc(C)c3C)cc2)c(Br)c1,C40943846_decoy,ITAL,Decoy,0,-7.12608,-8.15,-2.41,-9.497622536557367
CC(C)CNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(-c3ncc(-c4ccccc4)o3)cc2)cc1,C47162775_decoy,ITAL,Decoy,0,-8.63746,-7.84,-3.19,-8.357866457840295
C=CCc1ccc(OCCn2cccc2/C=C2/C(=O)N(c3ccc(C)c(Cl)c3)C(=O)N=C2[O-])c(OC)c1,C13748871_decoy,ITAL,Decoy,0,-8.14796,-7.78,-1.01,-8.181969518371192
COc1cc([C@@H]2C(C#N)=C(SCC(=O)Nc3ccc(Br)cc3)N=C3CCCC([O-])=C32)cc(OC)c1OC,C01249731_decoy,ITAL,Decoy,0,-9.27558,-6.34,-2.84,-7.319137255994514
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(C(=O)[O-])cc2)n2nc(SCc3ccccc3)nc2N1,C54642898_decoy,ITAL,Decoy,0,-8.12762,-7.4,-2.25,-6.691494416733542
CCCOc1ccc(N/C(=N/S(=O)(=O)c2ccc(Br)cc2)[N-]c2nc(C)cc(C)n2)cc1,C18168461_decoy,ITAL,Decoy,0,-8.02044,-7.97,-3.96,-8.165912365385404
C=CCc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2[O-])cc(OCC)c1OCc1ccccc1,C59135892_decoy,ITAL,Decoy,0,-8.69353,-9.2,-2.75,-11.300761014621116
C=CCc1cc(/C=C2/C(=O)N(c3ccccc3F)C(=S)N=C2[O-])cc(OC)c1OCc1ccc(F)cc1,C59136383_decoy,ITAL,Decoy,0,-8.83878,-8.97,-4.22,-7.827652515151766
CCOc1ccc(NC(=O)[C@H](C)Sc2nc3ccc([N-]S(=O)(=O)c4ccccc4)cc3s2)cc1,C59422339_decoy,ITAL,Decoy,0,-9.17703,-7.61,-3.87,-8.44271893727944
CCOc1ccc(N2C(=O)N=C([O-])/C(=C\c3cc(C)n(-c4sc5c(c4C#N)CCCC5)c3C)C2=O)cc1,C02295717_decoy,ITAL,Decoy,0,-9.41067,-8.01,-4.2,-6.94302438480632
CCOc1ccc([N-]C2=NC(=O)/C(=C/c3cc(Br)c(OC)c(Br)c3)S2)cc1,C18193731_decoy,ITAL,Decoy,0,-8.94415,-6.55,-1.91,-7.0729621341678754
COc1ccc(/C=C/C([O-])=N/C2=NN3C(=NC(c4ccc(Cl)cc4)=C[C@H]3c3ccc(OC)cc3)N2)cc1,C09462338_decoy,ITAL,Decoy,0,-8.14042,-5.4,-2.28,-5.560446220283817
CCOc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3ccc(OC)cc3)C3=C([O-])CC(C)(C)CC3=N2)cc1,C13297916_decoy,ITAL,Decoy,0,-8.14233,-7.13,-2.21,-6.485588621030345
CN(Cc1ccc(OC(F)F)cc1)S(=O)(=O)c1cc(C(=O)[O-])ccc1Br,C13069431_decoy,ITAL,Decoy,0,-7.30749,-7.06,-3.99,-7.393667093864785
O=C([O-])CCCCN1C(=O)/C(=C\c2ccc(-c3nc4ccccc4s3)o2)SC1=S,C13264710_decoy,ITAL,Decoy,0,-7.40575,-7.06,-2.39,-6.423249234288789
O=C([O-])Cn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1ccc(Cl)cc1,C13280608_decoy,ITAL,Decoy,0,-8.10399,-8.25,,99.0
O=C([O-])Cn1c(SCc2csc(-c3cccs3)n2)nnc1-c1ccc(Cl)cc1,C13280708_decoy,ITAL,Decoy,0,-9.01062,-4.32,-2.48,-5.960092996050476
O=C([O-])c1ccc(OS(=O)(=O)c2ccc(OC(F)(F)F)cc2)c(Br)c1,C13463492_decoy,ITAL,Decoy,0,-8.12273,-5.47,-2.27,-5.1954256050543535
CCOc1cc(/C=C2/SC(=S)N(c3cccc(C)c3C)C2=O)ccc1O[C@H](C)C(=O)[O-],C16916444_decoy,ITAL,Decoy,0,-7.81361,-7.03,-2.81,-6.870394283592492
CCOc1cc(/C=C2/SC(=S)N(c3ccc(C)cc3C)C2=O)ccc1O[C@H](C)C(=O)[O-],C16916458_decoy,ITAL,Decoy,0,-8.75915,-7.27,-2.44,-7.363910649100498
COc1ccc(-c2nn(Cc3ccc(Cl)cc3)cc2/C=C2/SC(=S)N=C2[O-])cc1,C19635131_decoy,ITAL,Decoy,0,-9.77974,-7.85,-2.11,-8.060968844315328
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc(F)cc2)cc1,C09013479_decoy,ITAL,Decoy,0,-7.88858,-8.33,-2.46,-13.01031317493026
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1,C09013477_decoy,ITAL,Decoy,0,-7.87014,-6.28,-2.52,-5.74859882738999
C=CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@@H]2c2ccccc2)s1,C09088402_decoy,ITAL,Decoy,0,-7.5176,-6.97,-2.03,-7.069254411346941
CCc1ccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nccs2)cc1,C09320283_decoy,ITAL,Decoy,0,-9.13786,-4.95,-3.14,-5.409191229889452
CN(Cc1ccccc1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(F)ccc2F)cc1,C20628586_decoy,ITAL,Decoy,0,-7.23713,-8.5,-2.77,-7.342027981832158
CCc1ccc(N2C(=O)N=C([O-])/C(=C/c3ccc(OCc4ccccc4F)cc3)C2=O)cc1,C22358256_decoy,ITAL,Decoy,0,-7.70983,-5.91,-3.23,-5.332065544316443
CN(C1CCCCC1)S(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1,C23717856_decoy,ITAL,Decoy,0,-8.71292,-7.72,-1.99,-7.673643813955152
O=C1CCCc2oc3ccc([N-]S(=O)(=O)c4cc(Cl)c(Cl)cc4Cl)cc3c21,C28463657_decoy,ITAL,Decoy,0,-9.69446,-8.63,-3.19,-9.538166396044923
[O-]/C(=N\c1nnc(-c2cccnc2)s1)c1cc(Br)c(Br)s1,C32501674_decoy,ITAL,Decoy,0,-7.09574,-6.96,-0.75,-4.5653299865392
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@H]2c2cccs2)nc1C,C33700714_decoy,ITAL,Decoy,0,-9.02035,-8.52,-2.42,-12.312887761562134
CN1C(=O)/C(=C/c2ccc(I)o2)S/C1=N\c1ccc(C(=O)[O-])cc1,C34112193_decoy,ITAL,Decoy,0,-7.58245,-3.94,-2.1,-4.536621108967112
O=S(=O)([N-]c1ccc(I)cn1)c1cnc(Cl)c(Br)c1,C35551190_decoy,ITAL,Decoy,0,-9.37645,-6.78,-0.84,-8.941496921978741
CCC(=O)N1N=C(c2ccccc2[N-]S(=O)(=O)c2ccccc2)C[C@@H]1c1ccccc1F,C35684013_decoy,ITAL,Decoy,0,-8.74125,-9.7,-2.85,-10.597584426486192
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N(C)CC)N2[C@@H]1c1ccc(F)cc1,C35696135_decoy,ITAL,Decoy,0,-7.22979,-7.26,-2.69,-8.12996356843459
O=C1N=C([O-])N(CCc2ccccc2)C(=O)/C1=C\c1cn(Cc2ccccc2)c2ccccc12,C36533326_decoy,ITAL,Decoy,0,-8.4899,-9.83,-4.41,-9.21107084758838
Cc1ccc(N2C(=O)/C(=C\c3ccc(-c4cccc(Cl)c4)o3)C(=O)N=C2[O-])cc1Cl,C36558950_decoy,ITAL,Decoy,0,-7.45096,-6.75,-2.16,-5.86902507912081
Cc1cccc(N2C(=O)/C(=C/c3cc(C)n(-c4cc(C)cc(C)c4)c3C)C([O-])=NC2=S)c1,C00843360_decoy,ITAL,Decoy,0,-8.55422,-9.43,-2.17,-9.80013026924924
CCn1cc(-c2nnc([S-])n2-c2ccc(C)cc2Br)c(=O)c2ccc(C)nc21,C09087626_decoy,ITAL,Decoy,0,-7.96807,-8.34,-2.58,-7.393005589375966
CCN1C(=O)C(C)(C)COc2cc([N-]S(=O)(=O)c3ccc(C(F)(F)F)cc3)ccc21,C38707200_decoy,ITAL,Decoy,0,-7.32171,-7.34,-2.59,-6.045369544895314
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2ccc(C(C)C)cc2)s1,C39849295_decoy,ITAL,Decoy,0,-8.91852,-9.47,-3.09,-10.035683631947515
COc1cccc(/C=C(C#N)/C([O-])=N/c2nnc(SCc3ccc(Cl)cc3)s2)c1,C39997364_decoy,ITAL,Decoy,0,-7.78455,-7.36,-3.99,-6.434755274585619
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccccc2F)s1,C39999712_decoy,ITAL,Decoy,0,-7.28268,-4.99,-2.54,-5.259086783716244
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(C)cc2)s1,C39999761_decoy,ITAL,Decoy,0,-7.94761,-4.3,-1.95,-5.070794981584187
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccccc2F)s1,C39999804_decoy,ITAL,Decoy,0,-7.11763,-5.3,-5.67,-0.9143652594358098
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccs2)s1,C40000314_decoy,ITAL,Decoy,0,-8.74673,-6.45,-2.47,-7.0702118755792105
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1cccc(OCC)c1,C40026031_decoy,ITAL,Decoy,0,-8.2905,-8.86,-2.45,-9.952658856731183
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)cc2)[C@H]1c1ccc(Br)cc1,C40026288_decoy,ITAL,Decoy,0,-8.85613,-8.46,-1.78,-9.302791626502296
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@@H]1c1cccc(Br)c1,C40029193_decoy,ITAL,Decoy,0,-7.90276,-8.43,-1.76,-10.716267776171206
CCc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1,C40564266_decoy,ITAL,Decoy,0,-8.06126,-6.7,-2.51,-5.709000885177958
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C\c2cccc(Oc3ccccc3)c2)SC1=S,C40936128_decoy,ITAL,Decoy,0,-9.60984,-7.58,-3.28,-9.571584117506095
Cc1nn(C)c(Cl)c1S(=O)(=O)[N-]c1ccc(I)cc1Cl,C48653986_decoy,ITAL,Decoy,0,-8.65046,-7.48,-1.39,-8.712704648514672
COCCOC(=O)c1sc2nc(/C(Cl)=C/c3ccc(F)c(F)c3)nc([O-])c2c1C,C16387354_decoy,ITAL,Decoy,0,-7.84811,-5.93,-2.4,-5.805351841701345
CCN1C(=O)N=C([O-])/C(=C\c2cc(C)n(-c3cc(C)c(Br)c(C)c3)c2C)C1=O,C05947670_decoy,ITAL,Decoy,0,-7.54643,-8.18,-2.02,-12.009542511994097
N#CCn1cc(/C=C2\C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2[O-])c2ccccc21,C01102951_decoy,ITAL,Decoy,0,-8.72587,-9.46,-2.46,-7.563986917436572
CC(C)CCN(C)c1ccc(/C=C2/C(=O)N(c3cccc4ccccc34)C(=O)N=C2[O-])cc1,C59859726_decoy,ITAL,Decoy,0,-8.74229,-9.47,-2.18,-12.721295692765048
Cc1ccccc1N1C(=O)N=C([O-])/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C1=O,C59861860_decoy,ITAL,Decoy,0,-7.77641,-7.56,-2.46,-5.956209186677134
CCOc1ccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)cs3)n(C)c2C)cc1,C35512705_decoy,ITAL,Decoy,0,-8.1512,-6.2,-1.85,-7.694054690218402
CCc1ccc([C@H]2C(S(=O)(=O)c3ccccc3)=C([O-])C(=O)N2c2ccc(OC)cc2)cc1,C64557828_decoy,ITAL,Decoy,0,-8.46716,-8.86,-2.1,-9.76769341981485
Cc1cc(F)ccc1[N-]S(=O)(=O)c1cc(-c2nc(-c3ccccc3)cs2)n(C)c1C,C64668087_decoy,ITAL,Decoy,0,-8.15161,-6.63,-2.9,-7.240535740677775
Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccc(F)cc4)cs3)n(C)c2C)c1,C64668150_decoy,ITAL,Decoy,0,-9.69455,-9.23,-3.29,-8.605676631122705
CCc1nc(-c2cc(S(=O)(=O)[N-]c3ccc(C)cc3Br)c(C)s2)no1,C35539296_decoy,ITAL,Decoy,0,-8.98545,-8.63,-1.08,-10.26789831347256
COc1cc(/C=C2/SC([N-]c3cccc(Br)c3)=NC2=O)cc(OC)c1OC,C02261036_decoy,ITAL,Decoy,0,-7.18892,-7.22,-1.87,-6.699975917967252
CC(=O)N(C[C@@H](C)C(=O)[O-])c1c(I)cc(I)c(N)c1I,C03830932_decoy,ITAL,Decoy,0,-8.78498,-6.04,-1.53,-8.662325976369495
CCOc1cc([N+](=O)[O-])cc(/C=N/NC(=O)COc2c(C)cc(I)cc2C)c1[O-],C06600345_decoy,ITAL,Decoy,0,-8.38263,-6.93,-1.52,-7.355718758419542
C[C@]12C=C/C(=N\OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c3ccccc3)C=C1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,C08952067_decoy,ITAL,Decoy,0,-7.61546,-7.23,-2.47,-7.107028251929549
CCOc1cc(/C=N/NC(=O)Cc2ccc(Br)cc2)cc(Br)c1OCC(=O)[O-],C09204783_decoy,ITAL,Decoy,0,-7.93191,-6.64,-1.76,-6.850057783020681
CCN(CC)c1ccc([C@H]2c3sc(=O)[nH]c3S[C@H]3[C@@H]4C[C@@H]([C@H]5C(=O)N([C@@H](C)C(=O)[O-])C(=O)[C@H]45)[C@H]23)cc1,C12579563_decoy,ITAL,Decoy,0,-7.16084,-4.44,-2.14,-4.5955860767189405
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(C)C)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C,C12873113_decoy,ITAL,Decoy,0,-8.18433,-6.18,-2.62,-6.535444609822604
C#C[C@@]1(O)CC[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,C12873562_decoy,ITAL,Decoy,0,-8.36313,-4.72,-3.58,-5.484834091290157
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CCSC)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C,C12876972_decoy,ITAL,Decoy,0,-7.84401,-5.91,-2.59,-5.851742450390463
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CC(C)C)C(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@@]21C,C15956712_decoy,ITAL,Decoy,0,-7.79326,-6.42,-2.07,-6.171347730178125
CC(=O)/C(=C(\C)[O-])c1cc(NS(=O)(=O)c2ccc(C)cc2)ccc1NS(=O)(=O)c1ccc(C)cc1,C00822117_decoy,ITAL,Decoy,0,-9.0873,-7.05,-3.04,-7.375283852628661
CC(C)(C)NC(=O)CSc1n[nH]c(N/N=C/c2cc(Br)c([O-])c(Br)c2)n1,C20467941_decoy,ITAL,Decoy,0,-8.47155,-6.89,-2.13,-7.353383064351554
COc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1Cl,C20498526_decoy,ITAL,Decoy,0,-8.09089,-6.82,-1.89,-9.505810164317875
Cc1cccc(CSc2nnc(N/N=C/c3cc(Br)cc(Br)c3[O-])n2N)c1,C21320418_decoy,ITAL,Decoy,0,-8.06682,-7.84,-2.39,-6.540365005417378
CCOc1ccc(C(=O)NC(=S)Nc2cc(Br)c([O-])c(Br)c2)cc1Cl,C32116410_decoy,ITAL,Decoy,0,-8.75019,-7.12,-3.83,-7.865189147922607
Cc1c(N[C@H](CC(=O)c2c([O-])n(C)c3ccccc3c2=O)c2ccccc2)c(=O)n(-c2ccccc2)n1C,C03846524_decoy,ITAL,Decoy,0,-8.69262,-10.14,-2.01,-9.662641781574996
Cc1c(N[C@@H](CC(=O)c2c([O-])n(C)c3ccccc3c2=O)c2ccccc2O)c(=O)n(-c2ccccc2)n1C,C03846555_decoy,ITAL,Decoy,0,-7.68244,-9.1,-4.21,-9.397072861521446
CCCN1CN([C@H](C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(C)CS[C@H]23)c2ccccc2)CSC1=S,C16958197_decoy,ITAL,Decoy,0,-9.28155,-7.88,-1.27,-10.783229097862476
O=C(CN1C(=O)N/C(=C\c2c(Cc3cccs3)nn(-c3ccccc3)c2[O-])C1=O)OCc1ccccc1,C35456548_decoy,ITAL,Decoy,0,-9.60273,-5.76,-4.17,-6.331034527823248
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc(O)cc2)nc1C,C35565859_decoy,ITAL,Decoy,0,-8.25923,-6.68,-2.69,-7.223567787165048
CCOc1cc(/C=C(/NC(C)=O)C(=O)[O-])cc(Br)c1OCc1ccc(Br)cc1,C35667336_decoy,ITAL,Decoy,0,-7.18488,-7.52,-2.47,-7.215747017749407
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3cccnc3)N2[C@@H]1c1ccc(Cl)cc1,C35698216_decoy,ITAL,Decoy,0,-7.7769,-4.65,-3.1,-5.374805545283002
Cc1cccc(-n2nc(-c3ccccc3)c(/C=C3\NC(=O)N(CC(=O)OCc4ccccc4)C3=O)c2[O-])c1C,C35829552_decoy,ITAL,Decoy,0,-8.34966,-5.82,-4.06,-5.305153517820186
CCOc1cc([C@H](c2c(C)n[nH]c2[O-])c2c(C)[nH][nH]c2=O)ccc1OC(=O)c1ccc(Cl)cc1Cl,C33912954_decoy,ITAL,Decoy,0,-8.81532,-8.85,-3.48,-8.763294363968944
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(O)cc2)cc1,C09210124_decoy,ITAL,Decoy,0,-8.5282,-6.26,-4.32,-6.353352139442817
O=C(NC1(C(=O)[O-])CCCCC1)c1cc(I)cc(I)c1O,C36969212_decoy,ITAL,Decoy,0,-8.94246,-6.99,-0.67,-9.864330156658966
O=C1N=C([O-])/C(=C\NN2CCCC[C@@H]2c2cccnc2)C(=O)N1c1ccc(I)cc1,C09108905_decoy,ITAL,Decoy,0,-8.45697,-5.41,-3.65,-5.82783026507482
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)COC(=O)[C@@H]1CC=CC[C@@H]1C(=O)[O-],C38653519_decoy,ITAL,Decoy,0,-8.02145,-8.76,-3.81,-7.65794373874913
CCOC(=O)[C@@H]1C2=C(CCC2)S[C@H]1NC(=O)CSc1nc([O-])c(C#N)c(-c2ccc(OC)cc2)n1,C39252593_decoy,ITAL,Decoy,0,-8.46643,-7.33,-3.06,-9.136471581506337
CCOC(=O)[C@@H]1C2=C(CCC2)S[C@@H]1NC(=O)CSc1nc([O-])c(C#N)c(-c2ccc(OC)cc2)n1,C39252597_decoy,ITAL,Decoy,0,-9.46422,-7.53,-2.98,-7.567439710774992
CCOc1cc([C@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OC(=O)c1ccc(Cl)cc1Cl,C39422182_decoy,ITAL,Decoy,0,-8.92998,-8.94,-2.53,-8.98794149834266
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(O)cc2)nc1C,C39828126_decoy,ITAL,Decoy,0,-9.14927,-6.29,-3.26,-6.858199568842411
CCc1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2cc(C)nc(C)n2)cc1,C40943844_decoy,ITAL,Decoy,0,-8.5196,-8.28,-2.65,-9.737954636554
CCc1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1,C40943847_decoy,ITAL,Decoy,0,-8.13264,-6.95,-3.3,-9.502868427874128
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)COc3ccc(C(C)C)cc3Br)cc2)no1,C40944325_decoy,ITAL,Decoy,0,-8.20242,-8.08,-3.83,-9.693394950469028
CC(C)[C@H](NC(=O)CNC(=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-],C43737028_decoy,ITAL,Decoy,0,-7.83215,-4.87,-3.01,-5.332961405711663
C[C@@]12CC[C@@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c5ccccc5)CC[C@]43C)[C@@H]1CC[C@@H]2O,C43741390_decoy,ITAL,Decoy,0,-8.41494,-7.09,-2.79,-6.531532627960834
C#C[C@@]1(O)CC[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,C43743358_decoy,ITAL,Decoy,0,-7.79271,-5.89,-2.36,-6.019266820130102
CC(Cl)(Cl)[C@@H](NC(=O)c1ccc(OC(F)(F)F)cc1)N/C(=N/C#N)[N-]c1ccc(Cl)nc1,C28866453_decoy,ITAL,Decoy,0,-8.09083,-4.76,-2.05,-4.84380886617941
Cc1ccccc1NC(=O)[C@H]1[C@H](c2ccccc2[N+](=O)[O-])/C(=C(\[O-])Nc2ccccc2C)C(=O)C[C@]1(C)O,C54591886_decoy,ITAL,Decoy,0,-7.81192,-5.48,-1.95,-5.613292686146956
Cc1ccc(S(=O)(=O)/N=C(/Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)c2ccccc2)cc1,C09722468_decoy,ITAL,Decoy,0,-8.90021,-9.12,-3.4,-8.626470983700713
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2C(=O)[O-])N3)c(OC)c1,C58849338_decoy,ITAL,Decoy,0,-8.51333,-8.58,-2.47,-8.155168033087893
CCOC(=O)c1sc(NC(=O)CSc2nc([O-])c(-c3ccccc3)c(=O)[nH]2)nc1-c1ccccc1,C59294709_decoy,ITAL,Decoy,0,-8.47911,-9.26,-3.18,-8.254417228816097
O=C(COC(=O)c1c2c(nc3ccccc13)CCC2)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1,C59402693_decoy,ITAL,Decoy,0,-8.26874,-8.58,-1.65,-9.401698963856948
O=C([O-])c1ccc(NC(=O)c2cc(I)ccc2I)cc1O,C20139313_decoy,ITAL,Decoy,0,-7.84653,-7.41,,99.0
CC1=NN(c2ccc(Br)cc2)C(=O)/C1=C\Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1,C08686711_decoy,ITAL,Decoy,0,-8.3598,-6.8,-2.61,-6.049458407604087
COc1cc(/C=C2/C(=O)NC(=S)N=C2[O-])ccc1OCC(=O)Nc1cc(C)c(C)cc1Br,C16267946_decoy,ITAL,Decoy,0,-8.449,-8.93,-2.06,-7.872847946087729
Cc1nnc(SCc2cc(=O)[nH]c(N/C(=N\C(=O)c3ccccc3)[N-]c3cccc(Cl)c3)n2)s1,C18177529_decoy,ITAL,Decoy,0,-9.21243,-6.55,-2.8,-8.817096343666146
CCOC(=O)c1c(NC(=O)CSc2nc([O-])c3cnn(-c4ccc(C)cc4)c3n2)sc2c1CCC2,C02717947_decoy,ITAL,Decoy,0,-8.44865,-7.77,-2.51,-8.240663614034448
COc1cc([C@H]2C(C#N)=C(SCC(=O)Nc3ccc(F)cc3)N=C3CCCC([O-])=C32)cc(OC)c1OC,C02450155_decoy,ITAL,Decoy,0,-7.91714,-6.0,-2.05,-6.35530015688142
COc1nccnc1[N-]S(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)c(C)c2)cc1,C66200251_decoy,ITAL,Decoy,0,-7.45691,-7.52,-3.23,-6.986004925548978
O=C([O-])c1cccc(N2C(=O)/C(=C\c3ccc(O)c(O)c3)SC2=S)c1,C05347934_decoy,ITAL,Decoy,0,-8.4779,-6.3,-2.16,-5.616687033347299
C/C(=N\NC(=S)Nc1ccc(C(=O)[O-])cc1C)c1ccccn1,C05487103_decoy,ITAL,Decoy,0,-8.13564,-8.32,-1.24,-7.923759151855255
CCC(=O)NC(=S)Nc1ccc(Br)cc1C(=O)[O-],C05822711_decoy,ITAL,Decoy,0,-7.19924,-7.3,-0.94,-7.718397535190198
Nc1cc(Cl)ccc1Oc1ccc(Cl)cc1S(=O)(=O)[O-],C02576938_decoy,ITAL,Decoy,0,-8.52381,-8.41,-1.82,-11.24987964595846
O=C(NC1CC1)c1ccsc1NC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C06741468_decoy,ITAL,Decoy,0,-7.4868,-7.51,-1.78,-7.486270640428002
COc1ccc(CC[NH2+][C@@H](c2ccc(C#N)cc2)P(=O)([O-])[O-])cc1,C12949492_decoy,ITAL,Decoy,0,-6.16327,-4.95,-1.47,-4.172594015577342
N#Cc1cccc([C@@H]([NH2+]CCc2cccc(F)c2)P(=O)([O-])[O-])c1,C12998747_decoy,ITAL,Decoy,0,-7.08431,-8.84,-2.06,-8.696778941805304
Cc1sc(NC(=O)CCCC(=O)[O-])c(C(=O)NC2CCCC2)c1C,C17073065_decoy,ITAL,Decoy,0,-8.70445,-6.55,-1.36,-8.212455010790116
CC(C)NC(=O)Cn1c([O-])c2[nH]cc(-c3ccccc3)c2nc1=S,C20849143_decoy,ITAL,Decoy,0,-6.92947,-7.97,-0.76,-9.100139215376393
COc1cc(N)cc2sc([N-]S(=O)(=O)c3ccccc3)nc12,C20980636_decoy,ITAL,Decoy,0,-7.37296,-7.52,-2.3,-7.42167469407241
CC(C)(C)NC(=O)c1ccc(NC(=O)[C@H]2CC=CC[C@@H]2C(=O)[O-])cc1,C24940388_decoy,ITAL,Decoy,0,-5.54627,-5.24,-1.89,-4.809440445997102
COc1cccc2c(=O)c(CNc3cccc(C(=O)[O-])c3)c(C)[nH]c12,C28354015_decoy,ITAL,Decoy,0,-6.90328,-5.23,-1.71,-5.000589197685694
C[C@@H](CO)NS(=O)(=O)c1cc(C(=O)[O-])sc1Br,C35600854_decoy,ITAL,Decoy,0,-7.52107,-5.91,-0.63,-8.77318707451708
Cc1c(N)cc(S(=O)(=O)[N-][C@H](C)c2ccncc2)cc1Cl,C35693037_decoy,ITAL,Decoy,0,-7.87781,-7.56,-1.44,-8.358510233196313
Nc1ccc([N-]S(=O)(=O)c2cccnc2)c(Br)c1,C36743399_decoy,ITAL,Decoy,0,-6.59636,-7.25,-1.49,-7.087765204206535
NS(=O)(=O)c1cc(Cl)c([N-]S(=O)(=O)C(F)F)c(Cl)c1,C37011314_decoy,ITAL,Decoy,0,-7.57558,-4.74,-2.13,-5.051361556714984
O=C([O-])Cc1ccc(S(=O)(=O)Nc2ccccc2CO)s1,C37048011_decoy,ITAL,Decoy,0,-7.67157,-5.42,-2.22,-6.193252134160061
Nc1cc(Br)ccc1S(=O)(=O)[N-]c1nccs1,C37054340_decoy,ITAL,Decoy,0,-7.65327,-6.75,-1.49,-7.4587408910219715
O=C([O-])c1c(NS(=O)(=O)c2cc[nH]c2)sc2c1CCCC2,C37164220_decoy,ITAL,Decoy,0,-7.71037,-4.09,-1.96,-5.251235495479911
O=C(C[C@@H](c1ccccc1)c1c([O-])[nH]c(=O)[nH]c1=O)c1ccccc1,C37858497_decoy,ITAL,Decoy,0,-7.13104,-9.53,-1.27,-8.623366076135651
CC1=C(C)C[C@@H](C(=O)NNC(=O)c2csc(C)c2C)[C@H](C(=O)[O-])C1,C04651628_decoy,ITAL,Decoy,0,-7.18588,-4.88,-1.54,-4.694676421356025
O=C(C[C@H](c1ccccc1)c1c([O-])[nH]c(=O)[nH]c1=O)c1ccccc1,C38140262_decoy,ITAL,Decoy,0,-7.7469,-8.66,-2.4,-7.96455618294434
O=C(C1=C([O-])C(=O)N(CCCO)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1,C40052765_decoy,ITAL,Decoy,0,-8.80165,-8.34,-2.58,-9.480082145906158
Cc1ccc(C(=O)C2=C([O-])C(=O)N[C@@H]2c2cccc(O)c2)cc1F,C40125364_decoy,ITAL,Decoy,0,-6.70226,-9.39,-2.7,-7.468732936614531
NS(=O)(=O)c1ccc(F)c([N-]S(=O)(=O)C2CCCCC2)c1,C40385142_decoy,ITAL,Decoy,0,-8.88747,-7.59,-4.13,-9.98658540391764
Cc1cc(NC(=O)NC2(C(=O)[O-])CCCC2)ccc1Br,C40536966_decoy,ITAL,Decoy,0,-5.50626,-6.41,-1.24,-4.070967122582173
O=C(Nc1ccc(Br)cc1)NC1(C(=O)[O-])CCCC1,C40550545_decoy,ITAL,Decoy,0,-6.05102,-7.22,-1.99,-6.173114738165792
CCC[C@@](C)(NC(=O)Nc1cc(Br)ccc1C)C(=O)[O-],C40591631_decoy,ITAL,Decoy,0,-6.47784,-7.45,-1.38,-11.370321831499272
O=C([O-])/C=C/C(=O)NC(=O)NCc1ccc(Br)cc1,C42354667_decoy,ITAL,Decoy,0,-7.43772,-5.52,-1.76,-6.922923648396797
CCN(CC(F)(F)F)c1ccc(S(N)(=O)=O)cc1C(=O)[O-],C42781480_decoy,ITAL,Decoy,0,-6.92521,-5.63,-0.5,-6.9634688449003805
C[C@@]12CC[C@H]3c4ccc(OCC(=O)[O-])cc4CC[C@@H]3[C@H]1C[C@@H](O)[C@@H]2O,C02568042_decoy,ITAL,Decoy,0,-8.92684,-5.36,-1.29,-5.70852340889131
C[NH2+]Cc1ccccc1[N-]S(=O)(=O)c1ccc(C(=O)[O-])s1,C48838844_decoy,ITAL,Decoy,0,-7.36597,-5.36,-2.04,-6.550140159839984
Cn1cc(Br)cc1C(=O)Nc1ccc(O)cc1C(=O)[O-],C48847035_decoy,ITAL,Decoy,0,-7.34549,-6.49,-1.65,-7.069579394452303
Nc1ccc(Cl)cc1[N-]S(=O)(=O)C1CCS(=O)(=O)CC1,C50350891_decoy,ITAL,Decoy,0,-7.8348,-6.85,-0.89,-7.305123510987477
Nc1ncc(Br)cc1S(=O)(=O)[N-]c1nccs1,C50636540_decoy,ITAL,Decoy,0,-7.36699,-5.95,-0.83,-7.7534779751299165
CCOc1ccc(NC(=O)[C@@H]2[C@@H](C(=O)[O-])[C@H]3C=C[C@@H]2C3)cc1CO,C51149502_decoy,ITAL,Decoy,0,-7.11424,-6.37,-1.48,-6.205071667409489
C[C@H]1CCC[C@](CO)(NS(=O)(=O)c2ccc(C(=O)[O-])s2)C1,C53117770_decoy,ITAL,Decoy,0,-7.65831,-4.48,-2.52,-4.279432933825888
NS(=O)(=O)c1cc(F)cc([N-]S(=O)(=O)c2cc(F)ccc2F)c1,C55678767_decoy,ITAL,Decoy,0,-8.46862,-7.66,-1.66,-8.023378609919593
COc1cccc([C@H](NCCc2cccc(F)c2)[P@](=O)([O-])O)c1,C12949481_decoy,ITAL,Decoy,0,-6.7882,-7.87,-3.36,-7.564528492649122
N#Cc1c(SCC(=O)Nc2ccc(F)cc2F)sc2c([O-])cc(=O)[nH]c12,C04945433_decoy,ITAL,Decoy,0,-8.87125,-7.97,-2.22,-7.41795393351936
O=C(c1ccc2c([O-])[nH]c(=S)nc2c1)N1CCC([C@@H](O)c2ccccc2)CC1,C60614118_decoy,ITAL,Decoy,0,-6.78199,-8.2,-2.5,-6.310286111219703
O=C1C[C@H](c2cccc(O)c2)c2c(c(C(=O)[O-])cn2-c2ccc(F)cc2)N1,C40286339_decoy,ITAL,Decoy,0,-8.38989,-5.3,-1.74,-4.170638946477632
Nc1ccc([N-]S(=O)(=O)C[C@@H]2CCCO2)c(Br)c1,C63155176_decoy,ITAL,Decoy,0,-7.38826,-7.73,-0.72,-9.41933928706642
N#CC1=C(SCC(N)=O)N=C2CCCC([O-])=C2[C@@H]1c1ccco1,C20029471_decoy,ITAL,Decoy,0,-8.37557,-7.66,-2.46,-8.841803514772385
C[C@@H]1N=C(CNC(=O)c2ccc3c([O-])[nH]c(=S)nc3c2)CS1,C64117312_decoy,ITAL,Decoy,0,-6.67204,-3.89,-1.72,-4.148156012327865
CCO/C([O-])=C1/C(C)=NC(SCC(N)=O)=C(C#N)[C@H]1c1ccccc1,C27548640_decoy,ITAL,Decoy,0,-7.4875,-7.97,-2.2,-8.220900017304322
CCOc1ccc(NC(=O)C[C@@]2(C(=O)[O-])CCSC2)cc1CO,C64611311_decoy,ITAL,Decoy,0,-7.862,-6.66,-1.55,-7.258778713266384
NC(=O)Cc1csc([N-]S(=O)(=O)c2cc(Br)ccc2F)n1,C66250665_decoy,ITAL,Decoy,0,-8.00636,-6.81,,99.0
Cc1ccsc1C(=O)NNC(=O)Cc1sc([S-])nc1C,C66783363_decoy,ITAL,Decoy,0,-8.20128,-6.43,-2.35,-7.19631076927837
CS[C@@H](C)c1cccc([N-]S(=O)(=O)c2cc(C(N)=O)n(C)c2)c1,C67244700_decoy,ITAL,Decoy,0,-8.31125,-6.87,-1.75,-7.839316511292775
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)c(C)c1,C02364763_decoy,ITAL,Decoy,0,-8.17864,-6.25,-3.21,-6.638239205062728
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)c(C)c3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1,C09069081_decoy,ITAL,Decoy,0,-8.63038,-8.49,-2.8,-11.875259912466436
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)cc1,C09271411_decoy,ITAL,Decoy,0,-8.10285,-7.88,-3.92,-8.089557921725115
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2cccc(F)c2)nc1C,C08837778_decoy,ITAL,Decoy,0,-7.86133,-5.04,-3.04,-5.44783831107265
CCCc1nn(C)c2c(=O)nc(-c3cc(S(=O)(=O)[N-]c4ccccc4[N+](=O)[O-])ccc3OCC)[nH]c12,C09144986_decoy,ITAL,Decoy,0,-7.15922,-7.04,-3.31,-8.668522154560907
CC(C)[C@H](NC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1-c1ccccc1)C(=O)[O-],C03277419_decoy,ITAL,Decoy,0,-5.69848,-7.01,-2.76,-6.558257914703039
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1,C28628015_decoy,ITAL,Decoy,0,-8.42105,-5.83,-2.94,-6.39945472686631
C=CCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC,C33382319_decoy,ITAL,Decoy,0,-9.62648,-4.63,-3.1,-6.693418519228728
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OCC)c3)[C@@H]2c2cccs2)nc1C,C33385762_decoy,ITAL,Decoy,0,-9.71467,-5.77,-3.02,-7.898859776093305
CCCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC,C33528297_decoy,ITAL,Decoy,0,-9.05669,-6.45,-3.61,-7.592591589933182
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1,C33551094_decoy,ITAL,Decoy,0,-7.55254,-7.83,-3.06,-7.524706918296775
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccc(O)cc2)c1,C33770062_decoy,ITAL,Decoy,0,-8.99264,-8.64,-3.02,-13.416501822635212
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)o2)c1,C33772951_decoy,ITAL,Decoy,0,-8.73415,-7.79,-4.02,-8.118443455740108
CCCCCOc1cccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nnc(C)s2)c1,C33814015_decoy,ITAL,Decoy,0,-8.45124,-7.82,-1.76,-10.421484301072732
CCCCCOc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nnc(C)s2)c1,C33814016_decoy,ITAL,Decoy,0,-8.90867,-7.86,-2.05,-10.07777830230494
CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC,C33814020_decoy,ITAL,Decoy,0,-9.40886,-8.56,-4.11,-10.01875962144356
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cc(C)ccc3C)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C,C34953417_decoy,ITAL,Decoy,0,-8.46293,-8.46,,99.0
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccc(OCC)c2)nc1C,C35282660_decoy,ITAL,Decoy,0,-8.92386,-8.35,-2.86,-12.173540394585991
CCCCOc1ccc([C@@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2Cc2cccnc2)cc1,C35484586_decoy,ITAL,Decoy,0,-7.26298,-5.19,-3.07,-6.030331633254392
C=CCOc1ccc([C@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2Cc2ccco2)cc1OCC,C35484695_decoy,ITAL,Decoy,0,-8.564,-8.02,-2.45,-8.663649767694043
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccccc2F)nc1C,C35565865_decoy,ITAL,Decoy,0,-8.61843,-4.32,-2.29,-4.669034389527512
CCCCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC,C35566174_decoy,ITAL,Decoy,0,-10.2344,-4.57,-3.76,-7.041683391073356
CCN(CC)C1=C(c2c(COC)nn(-c3ccc(Cl)c(Cl)c3)c2[O-])C(=O)N(C[C@H]2CCCO2)C1=O,C35621733_decoy,ITAL,Decoy,0,-8.13743,-6.76,-3.1,-7.032011711922757
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3cccnc3)N2[C@H]1c1ccc(Cl)cc1,C35696318_decoy,ITAL,Decoy,0,-9.47143,-5.01,-3.85,-7.140735032258761
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NC[C@@H]3CCCO3)N2[C@H]1c1ccc([N+](=O)[O-])cc1,C35697999_decoy,ITAL,Decoy,0,-8.85055,-6.12,-2.26,-8.990782172247222
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3cccnc3)N2[C@H]1c1ccc(C)cc1C,C36061189_decoy,ITAL,Decoy,0,-10.477,-7.15,-1.44,-11.069278059817938
COC(=O)CC[C@@H](C)[C@@H]1CC[C@H]2[C@H]3CC[C@H]4C[C@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C,C36372106_decoy,ITAL,Decoy,0,-9.2854,-5.14,-2.6,-6.405172450898676
Cc1ccc(CN(C(=O)c2cc([N+](=O)[O-])ccc2[O-])[C@@H](C(=O)NC(C)(C)C)c2ccc([N+](=O)[O-])cc2)o1,C36596699_decoy,ITAL,Decoy,0,-7.30202,-7.66,-3.74,-8.390472135889608
COc1ccccc1[N-]S(=O)(=O)c1cc([N+](=O)[O-])ccc1N/N=C1\C(=O)N(C(C)C)c2ccccc21,C12564072_decoy,ITAL,Decoy,0,-8.46826,-8.71,-4.4,-9.245058485565291
Cc1ccc(Cn2c([O-])c(C(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)c(C)c(C#N)c2=O)cc1,C38624516_decoy,ITAL,Decoy,0,-8.17702,-9.06,,99.0
CC(C)S(=O)(=O)c1cnc2c3c(n(-c4ccccc4[O-])c(=O)c2c1)C(=O)C[C@@H](S(=O)(=O)C(C)C)N3,C39452193_decoy,ITAL,Decoy,0,-8.01731,-5.82,-1.91,-5.496472251711051
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4Cl)s3)[C@@H]2c2ccco2)o1,C39835257_decoy,ITAL,Decoy,0,-8.27437,-4.68,-2.99,-5.229567907604311
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCCCCC(=O)[O-])C2=O)c1,C39835617_decoy,ITAL,Decoy,0,-9.33665,-8.34,-2.96,-9.85878672678193
CCOc1ccc([C@@H]2C(C(=O)c3ccc4cc(OC)ccc4c3)=C([O-])C(=O)N2c2nncs2)cc1OC,C39848977_decoy,ITAL,Decoy,0,-8.79435,-8.63,-2.17,-11.1967766467777
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(SC)s2)cc1F,C39998007_decoy,ITAL,Decoy,0,-7.95999,-5.26,-4.09,-5.882585916893787
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@@H]2c2cccc([N+](=O)[O-])c2)cc1,C39999976_decoy,ITAL,Decoy,0,-7.1962,-8.01,-2.95,-7.245534707307558
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1,C39999978_decoy,ITAL,Decoy,0,-8.97613,-5.12,-3.44,-7.001939688381804
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2cccc([N+](=O)[O-])c2)s1,C40000106_decoy,ITAL,Decoy,0,-6.99525,-6.52,-2.66,-6.474253303615106
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC=C)s3)[C@H]2c2ccc(O)cc2)cc1,C40003230_decoy,ITAL,Decoy,0,-9.18669,-4.83,-4.08,-6.7362064998894
COCCCN1C(=O)C([O-])=C(C(=O)c2c(C)nc3c(C)cccn23)[C@@H]1c1ccc(OCc2ccccc2)cc1,C40003638_decoy,ITAL,Decoy,0,-8.59524,-7.34,-2.47,-7.54940814209733
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])NCc3ccco3)N2[C@H]1c1ccc([N+](=O)[O-])cc1,C40400774_decoy,ITAL,Decoy,0,-7.45841,-6.27,-3.31,-7.192120610617686
CC[C@@H](C)n1c([O-])c(C(=O)CCCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)c(C)c(C#N)c1=O,C40522683_decoy,ITAL,Decoy,0,-8.35748,-7.56,-2.38,-10.486746343677847
COC(=O)C1=C([O-])[C@H](C(=O)OC)[C@@]23CCCCCCCCCC[C@@]12[C@H](C(=O)OC)C(=O)[C@@H]3C(=O)OC,C43214689_decoy,ITAL,Decoy,0,-6.72902,-4.17,-3.44,-6.034993983139391
COc1ccc(C2=C[C@@H]3c4cc(Br)ccc4O[C@@H](c4ccc(OC)c(OC)c4C(=O)[O-])N3N2)cc1OC,C01837072_decoy,ITAL,Decoy,0,-8.04472,-4.74,-2.79,-5.821168508777473
CCOC(=O)c1sc(NC(=O)[C@@H](CC)Sc2nc([O-])c(C#N)c(-c3ccc(OC)cc3)n2)nc1C,C59402698_decoy,ITAL,Decoy,0,-8.13799,-6.68,,99.0
CCOC(=O)c1sc(NC(=O)[C@H](CC)Sc2nc([O-])c(C#N)c(-c3cccc(OC)c3)n2)nc1C,C59402701_decoy,ITAL,Decoy,0,-7.80963,-7.87,-3.1,-7.492821567343179
Cc1cc(N2C(=O)N=C([O-])/C(=C/c3cc([N+](=O)[O-])ccc3N3CCCCC3)C2=O)ccc1Br,C59860180_decoy,ITAL,Decoy,0,-7.22138,-4.84,,99.0
CCOC(=O)C1=C(C)[C@@H](C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc(C(=O)OC)cc2)C(C)=N1,C09175358_decoy,ITAL,Decoy,0,-8.48292,-6.54,-2.92,-7.0458552157822485
COC(=O)c1ccc([C@@H]2C(S(=O)(=O)c3ccc(C)cc3)=C([O-])C(=O)N2Cc2ccc(OC)cc2)cc1,C64558350_decoy,ITAL,Decoy,0,-7.86209,-5.76,-3.43,-5.871458858721309
CCOc1ccc(S(=O)(=O)c2cnc(SCC(=O)NCCc3ccc(Cl)cc3)nc2[O-])cc1,C46016454_decoy,ITAL,Decoy,0,-8.38218,-7.34,-2.39,-6.633968850212766
CCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccccc1I,C04060394_decoy,ITAL,Decoy,0,-8.65697,-6.96,-3.44,-7.169125585619811
CC1=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@@H](c2ccccc2F)C1C(=O)OCCc1ccccc1,C04067994_decoy,ITAL,Decoy,0,-8.01211,-8.86,-1.97,-8.201116172078754
Cc1ccc(S(=O)(=O)Oc2cccc([C@H]3C4=C(N=C5CC(C)(C)CC(=O)[C@@H]53)c3ccccc3C4=O)c2)cc1,C01738498_decoy,ITAL,Decoy,0,-7.72262,-8.07,,99.0
O=C(CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC(F)F)cc1)CCCC3)c1ccc(F)cc1,C03251903_decoy,ITAL,Decoy,0,-9.86103,-6.79,-4.5,-6.663308602060766
O=C1c2ccccc2C(=O)N1CCCCSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3,C01895058_decoy,ITAL,Decoy,0,-8.37812,-9.12,-1.85,-8.983093067456913
c1ccc([C@@H]2c3ccc4ccccc4c3Oc3ncn4nc(CSc5nc6ccccc6s5)nc4c32)cc1,C08756770_decoy,ITAL,Decoy,0,-8.19982,-8.99,-3.4,-6.736217302633906
COc1ccc([C@H]2CC(=O)[C@H]3C(=Nc4ccccc4N(C(=O)c4ccccc4)[C@@H]3c3ccc(C)cc3)C2)cc1,C02234802_decoy,ITAL,Decoy,0,-8.74845,-5.18,-2.35,-5.954906792002118
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(Br)ccc3n2C)cc1,C08796294_decoy,ITAL,Decoy,0,-8.96333,-7.78,-2.8,-9.58622329311572
Cc1cccc(-n2c(SCc3ccc(OC(C)C)cc3)nc3sc4c(c3c2=O)C[C@H](C(C)C)OC4)c1,C01776579_decoy,ITAL,Decoy,0,-9.64677,-6.03,-3.59,-8.038386410595308
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Br)c3)c(=O)n2[C@H]1c1ccccc1OC,C02261287_decoy,ITAL,Decoy,0,-8.154,-8.55,-2.4,-8.347562067692996
CCc1ccc(-n2c(=S)sc3c(=O)n(-c4ccc(C)cc4)c(SCc4ccccc4C)nc32)cc1,C03034741_decoy,ITAL,Decoy,0,-9.25517,-7.12,-4.56,-7.177163269614285
O=C(COc1ccc(Cl)cc1Cl)N(C[C@H]1CCCO1)c1nc2ccc(Br)cc2s1,C11075669_decoy,ITAL,Decoy,0,-10.6034,-7.97,-3.93,-8.923121720970492
CCOC(=O)c1c(C(C)(C)C)oc2cc(Br)c(OCc3c(F)c(F)c(F)c(F)c3F)cc12,C01822224_decoy,ITAL,Decoy,0,-7.43283,-8.17,-1.76,-6.95350920093973
Cc1nc2sc3c(c2c2nnc(SCC(=O)N4c5ccccc5Sc5ccccc54)n12)CCCC3,C13028081_decoy,ITAL,Decoy,0,-8.15662,-10.99,-2.12,-11.183009439102587
Cc1ccc(OCc2nc3c4c(-c5ccccc5)c(-c5ccccc5)n(Cc5ccccc5)c4ncn3n2)cc1,C02235787_decoy,ITAL,Decoy,0,-8.93855,-5.87,-1.89,-6.032513476324605
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)C(=O)C12CC3CC(CC(C3)C1)C2,C16507464_decoy,ITAL,Decoy,0,-10.0897,-7.94,-3.69,-11.26153474310926
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(C)cc1,C16569119_decoy,ITAL,Decoy,0,-6.91348,-5.23,-3.38,-5.560095929649584
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)c1cccc(F)c1,C16569139_decoy,ITAL,Decoy,0,-7.36894,-7.46,-3.16,-7.342269484595577
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)c1cccc(Cl)c1,C16569463_decoy,ITAL,Decoy,0,-7.9798,-8.02,-4.05,-7.554585990669146
Cc1cc(C)cc(Oc2coc3cc(OC(=O)c4ccccc4I)ccc3c2=O)c1,C01985537_decoy,ITAL,Decoy,0,-8.27154,-8.78,-2.35,-7.491610948573962
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c4ccccc4ccc3n2CC)cc1,C33774687_decoy,ITAL,Decoy,0,-8.08966,-8.96,-3.55,-7.49719808317261
COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)cc1,C09009788_decoy,ITAL,Decoy,0,-9.87741,-11.22,-3.38,-10.787383567009556
C[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cn(-c3ccccc3)nc2C23CC4CC(CC(C4)C2)C3)SC1=S,C35446971_decoy,ITAL,Decoy,0,-8.62977,-6.97,-2.86,-6.653225480942153
CCCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nccs2)cc1,C35512745_decoy,ITAL,Decoy,0,-9.15925,-4.82,-3.21,-5.8869024837617285
CC[C@H](C)c1nc(N2CCN(S(=O)(=O)c3ccc(Cl)cc3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3,C35526096_decoy,ITAL,Decoy,0,-9.12556,-5.04,-3.53,-5.47362954988116
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccco1)C(=O)C12CC3CC(CC(C3)C1)C2,C35706897_decoy,ITAL,Decoy,0,-8.31513,-6.95,-3.62,-7.032253708254849
CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2,C35707031_decoy,ITAL,Decoy,0,-5.63718,-8.7,-3.73,-6.947182836385817
Cc1cccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)C23CC4CC(CC(C4)C2)C3)C2CC2)c1,C35707097_decoy,ITAL,Decoy,0,-9.57376,-5.91,-2.02,-6.272066675087837
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@@]3(C)C(=CC(=O)[C@@H]4[C@]5(C)CC[C@@H](OC(C)=O)C(C)(C)[C@H]5CC[C@]43C)[C@H]2C1,C35780563_decoy,ITAL,Decoy,0,-8.70816,-5.16,,99.0
O=C(N(CCc1csc2nc(-c3ccc(F)cc3)cn12)Cc1ccccc1)C12CC3CC(CC(C3)C1)C2,C35829771_decoy,ITAL,Decoy,0,-8.01663,-6.5,-1.53,-6.677058481262304
C[C@H]1CCc2c(sc3nc(Cc4ccccc4)nc(N4CCN(S(=O)(=O)c5ccccc5)CC4)c23)C1,C35867964_decoy,ITAL,Decoy,0,-8.5161,-5.59,-2.63,-5.621762706604131
Cc1ccc(C)c(-n2nc(-c3c(C)nc4c(OCc5ccc(C(F)(F)F)cc5)cccn4c3=O)cc2C)c1,C35924617_decoy,ITAL,Decoy,0,-7.02588,-10.05,-3.28,-6.823002226753171
CCOn1c(C)c(Cc2ccccc2)c2c1-c1nc3ccccc3c(I)c1C(=O)CC2,C39457414_decoy,ITAL,Decoy,0,-9.31241,-9.37,-2.35,-9.543951931793622
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)sc2cc(C(C)C)ccc21,C39722933_decoy,ITAL,Decoy,0,-8.84832,-4.11,-4.59,-5.501152058349744
C#CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)c3ccccc3)cc2)sc2cc(C(C)C)ccc21,C39722949_decoy,ITAL,Decoy,0,-8.0087,-7.73,-2.5,-6.5804288174566645
CC(C)(C)c1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1,C39825886_decoy,ITAL,Decoy,0,-8.14668,-6.71,-1.76,-6.04313295367587
CCc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nnc(SCc3ccccc3)s2)cc1,C39837497_decoy,ITAL,Decoy,0,-8.4634,-7.05,-3.6,-6.888704638672023
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(OC)cc2)c1,C39875557_decoy,ITAL,Decoy,0,-9.35914,-6.81,-2.45,-6.892766282104513
CCCCCOc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccccc2)c1,C39875597_decoy,ITAL,Decoy,0,-9.30587,-6.74,-1.98,-8.099799096312568
CCCCOc1cccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)c1,C39876777_decoy,ITAL,Decoy,0,-8.82787,-9.15,-3.66,-8.308009964587255
CCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OC,C39877995_decoy,ITAL,Decoy,0,-7.83856,-4.62,,99.0
COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(F)cc2)ccc1OCc1ccccc1,C39879555_decoy,ITAL,Decoy,0,-8.88513,-5.67,,99.0
COc1ccc(-n2c(SCc3ccccc3F)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1,C40036608_decoy,ITAL,Decoy,0,-10.588,-10.57,-3.08,-11.232655143116768
CCCCCOc1cccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1,C40056511_decoy,ITAL,Decoy,0,-10.0162,-5.03,-1.29,-6.675919923590023
CC(=O)Oc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(Cl)cc3)C3(C(=O)c4ccccc4C3=O)[C@H]3C=Cc4ccccc4N23)cc1,C01887738_decoy,ITAL,Decoy,0,-8.11744,-9.95,-2.04,-8.592924032539122
CCN(CC)c1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(OC)cc2)C2=C(N=3)c3ccccc3CC2)o1,C58833667_decoy,ITAL,Decoy,0,-9.70129,-8.09,-1.58,-7.236579743350231
CCOC(=O)C1=NN(c2ccc(Br)cc2)[C@@]2(S1)S[C@H](c1ccccc1)c1ccccc12,C59123969_decoy,ITAL,Decoy,0,-8.70881,-4.82,-2.71,-5.944652382179455
COc1ccc([C@@H]2C3=C(N=c4s/c(=C/c5ccccc5Cl)c(=O)n42)c2ccccc2CC3)c(OC)c1,C59198723_decoy,ITAL,Decoy,0,-10.5993,-5.81,-1.65,-5.967269301375086
CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccc(Br)cc4)ccc3C2=O)c2cc(OC)ccc21,C41286819_decoy,ITAL,Decoy,0,-8.75833,-8.28,-2.72,-6.655281110404198
COc1ccc(OC)c(/C=C2\Oc3c(ccc4c3CN(CCc3ccc(Cl)cc3Cl)CO4)C2=O)c1,C41654901_decoy,ITAL,Decoy,0,-8.37523,-8.46,-2.2,-8.965362387295277
Cc1cc(/C=C(/C#N)C(=O)Nc2ccc3ccccc3c2)c(C)n1-c1cccc(I)c1,C04047933_decoy,ITAL,Decoy,0,-9.33629,-9.48,-2.45,-7.859331229190859
O[C@H](Cn1nc(-c2ccccc2)cc1-c1ccccc1)Cn1c2ccc(Cl)cc2c2cc(Cl)ccc21,C02968263_decoy,ITAL,Decoy,0,-8.40682,-9.43,-2.98,-8.379160978892033
O=C(c1ccccc1)[C@H]1C[C@]2(c3ccccc3)C(=O)[C@@]1(c1ccccc1)c1c2c2ccccc2c2ccccc12,C05340406_decoy,ITAL,Decoy,0,-8.19533,-5.73,-3.28,-5.520456238036704
Cn1c(-c2ccccc2)c2c(c1-c1ccccc1)C(=O)c1c(c(-c3ccccc3)n(C)c1-c1ccccc1)C2=O,C01557247_decoy,ITAL,Decoy,0,-5.58104,-4.76,-3.08,-3.200013367140818
CC(=O)OC[C@@]12CC=C3[C@]4(C)CC[C@H]5C(C)(C)[C@@H](OC(C)=O)CC[C@]5(C)[C@H]4CC[C@@]3(C)[C@H]1CC(C)(C)CC2,C08382373_decoy,ITAL,Decoy,0,-8.69831,-8.3,-2.39,-7.656447717246258
CC(=O)C1=NN(c2ccc(C)cc2)[C@]2(S1)SC(c1ccc(C)cc1)(c1ccc(C)cc1)c1ccccc12,C08853761_decoy,ITAL,Decoy,0,-7.60239,-4.86,-1.01,-4.970896432961612
CCn1c2ccccc2c2cc(N3COc4c(cc5c(C)c(Cc6ccccc6)c(=O)oc5c4C)C3)ccc21,C02120638_decoy,ITAL,Decoy,0,-9.5647,-9.98,-2.89,-7.30240267698174
Cc1cc2oc(-c3ccc(C(C)(C)C)cc3)c(OC(=O)c3cc4ccccc4oc3=O)c(=O)c2cc1Cl,C09045396_decoy,ITAL,Decoy,0,-9.86357,-5.29,-3.02,-5.700588515946463
Cc1ccc(-c2cn3c(C(=O)Nc4ccccc4Cl)c(-c4ccc(Cl)cc4)c4c3n2CCCC4)cc1,C02326768_decoy,ITAL,Decoy,0,-10.833,-10.6,-2.79,-12.609071018456252
Cc1ccc(-c2cn3c(C(=O)Nc4ccc(Cl)c(Cl)c4)c(-c4ccccc4)c4c3n2CCCC4)cc1,C09272371_decoy,ITAL,Decoy,0,-8.59929,-5.98,-4.11,-5.5597514037787565
Cc1cc(C)c2nc(-c3ccc(Cl)cc3)cc(C(=O)Nc3cc(Cl)c(Br)cc3C)c2c1,C09499192_decoy,ITAL,Decoy,0,-8.99196,-6.33,-3.76,-5.770294991728395
O=C(Nc1sc2c(c1-c1nc3ccccc3s1)CCCC2)c1cc(-c2ccccc2)nc2ccccc12,C12376946_decoy,ITAL,Decoy,0,-8.86765,-6.49,-2.33,-5.650646810586287
COc1ccc(-c2c3c4n(c(-c5ccc(Cl)cc5)cn4c2C(=S)NC2CCCCC2)CCCC3)cc1,C03239670_decoy,ITAL,Decoy,0,-9.58047,-4.72,-3.57,-5.35331207527253
CC(=O)O[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4C[C@H]5OC(CC[C@H](C)CN(C(C)=O)C(C)=O)=C(C)[C@@H]5[C@@]4(C)CC[C@H]32)C1,C12653294_decoy,ITAL,Decoy,0,-7.32934,-6.56,-3.67,-5.606601252940391
FC(F)(F)c1cnc(N/N=C(/c2ccc(Cl)cc2)c2ncc(C(F)(F)F)cc2Cl)c(Cl)c1,C12957201_decoy,ITAL,Decoy,0,-9.85636,-9.97,-4.93,-9.437525137077095
O=C(Nc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1)c1ccc(I)cc1,C12957492_decoy,ITAL,Decoy,0,-8.36853,-5.76,-2.47,-5.423433665657513
Clc1ccc(Sc2sc(-n3nccc3-c3cccs3)nc2-c2ccc(Cl)cc2Cl)cc1,C12958670_decoy,ITAL,Decoy,0,-12.0277,-8.6,-3.32,-10.272326806813243
O=c1c2cc(I)ccc2nc(/C=C/c2ccccc2O)n1-c1ccc2ccccc2c1,C13661882_decoy,ITAL,Decoy,0,-9.27216,-9.26,-1.52,-7.491026473657932
O=C(Nc1ccc(Cl)cc1)c1c(-c2ccc(Cl)cc2)c2c3n(c(-c4ccc(F)cc4)cn13)CCCC2,C02328942_decoy,ITAL,Decoy,0,-10.2031,-5.71,-4.34,-5.766909620026411
Cc1cccc(NC(=O)c2c(-c3ccc(Cl)cc3)c3c4n(c(-c5ccc(Cl)cc5)cn24)CCCC3)c1,C02194011_decoy,ITAL,Decoy,0,-10.6424,-10.03,-3.5,-11.16978024305681
CC1=C(C(=O)OC2CCCCC2)[C@@H](c2ccc(Br)cc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1,C03098512_decoy,ITAL,Decoy,0,-8.04504,-6.42,-2.79,-6.300363652951535
CC1=C(C(=O)OCC(C)C)[C@H](c2cc(Br)ccc2F)C2=C(C[C@@H](c3cccs3)CC2=O)N1,C01434627_decoy,ITAL,Decoy,0,-9.09527,-7.54,-3.77,-7.910623741406003
O=C(CSC1=NC2(CCCCC2)N=C1c1ccc(Cl)c(Cl)c1)Nc1ccc(Cl)c(Cl)c1,C20152206_decoy,ITAL,Decoy,0,-9.7647,-8.64,-1.81,-9.548022071379794
Cc1c(/C=C2/S/C(=N/c3ccccc3)N(C3CCCC3)C2=O)c2ccccc2n1Cc1ccccc1C#N,C02125862_decoy,ITAL,Decoy,0,-10.4909,-7.33,-2.96,-7.153922159607657
O=C(Nc1ccc2oc(-c3ccc(-c4ccccc4)cc3)nc2c1)c1ccccc1I,C20977444_decoy,ITAL,Decoy,0,-8.22485,-5.97,-2.32,-5.6715959084755365
Cc1ccc(-c2c3c4n(c(-c5ccc(Br)cc5)cn4c2C(=O)Nc2ccccc2)CCCC3)cc1,C27027127_decoy,ITAL,Decoy,0,-9.74876,-10.74,-4.12,-12.01106391372227
Cc1c(Cc2ccccc2)c2c(n1Cc1ccccc1)-c1nccc(I)c1C(=O)CC2,C39459043_decoy,ITAL,Decoy,0,-8.56562,-5.49,-2.81,-6.464529143321952
N#C/C(=C\c1c2ccccc2cc2ccccc12)C(=O)Nc1ncc(Cc2cccc(C(F)(F)F)c2)s1,C40147260_decoy,ITAL,Decoy,0,-8.65957,-9.19,-3.33,-7.464973902098972
COc1ccc(/N=C2\S/C(=C\c3c4ccccc4cc4ccccc34)C(=O)N2c2ccc(OC)cc2)cc1,C40147441_decoy,ITAL,Decoy,0,-7.86717,-5.6,-1.06,-5.325269312771945
C[C@@]12CC[C@@H](OC(=O)c3cccc(I)c3)C[C@H]1CC[C@H]1[C@H]3CCC(=O)[C@]3(C)CC[C@@H]12,C43741773_decoy,ITAL,Decoy,0,-9.59145,-9.12,-3.54,-8.732961431030086
CC(=O)OC[C@]12CC=C3[C@](C)(CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]34C)[C@@H]1CC(C)(C)CC2,C43764166_decoy,ITAL,Decoy,0,-9.01469,-5.51,-2.28,-5.681078335815724
CC(=O)OC[C@]12CC=C3[C@](C)(CC[C@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@]34C)[C@H]1CC(C)(C)CC2,C43764167_decoy,ITAL,Decoy,0,-10.1677,-9.01,-2.05,-8.320773016990438
C=C(C)[C@@H]1CC[C@]2(C(=O)OC)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12,C43764324_decoy,ITAL,Decoy,0,-8.31589,-4.7,-2.33,-5.061777589783419
Cc1ccc([C@@H]2[C@@H]3C(=O)[C@H]4[C@@H](c5ccc(C)cc5)[NH+](CN2[C@H]4c2ccc(C)cc2)[C@H]3c2ccc(C)cc2)cc1,C44544542_decoy,ITAL,Decoy,0,-9.52844,-10.95,-1.78,-13.485248709128223
CCOc1ccc([C@H]2Oc3c(Br)cc(Br)cc3[C@H]3C=C(c4cccs4)NN32)cc1,C01779737_decoy,ITAL,Decoy,0,-10.192,-9.5,-1.14,-10.153974433048898
CCCOc1ccc([C@H]2Oc3c(Br)cc(Br)cc3[C@@H]3C=C(c4ccc(Cl)cc4)NN23)cc1,C01810984_decoy,ITAL,Decoy,0,-7.9727,-4.81,-2.14,-5.065383454156351
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4cc(Cl)ccc4Cl)o3)c(=O)n2[C@@H]1c1ccccc1,C01815827_decoy,ITAL,Decoy,0,-8.87329,-7.7,-1.85,-7.205238468878941
CN(C1CCCCC1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C20753490_decoy,ITAL,Decoy,0,-8.46605,-9.45,-1.38,-7.301247427072672
COC(=O)C1=NN(c2cccc3ccccc23)[C@@]2(CCC(c3cc(C)ccc3C)=NN2c2ccccc2)S1,C59123378_decoy,ITAL,Decoy,0,-8.48584,-5.59,-2.67,-5.615794880628235
O=C1/C(=C/c2cccn2-c2cccc(Br)c2)SC(=NC2CCCCC2)N1C1CCCCC1,C15229757_decoy,ITAL,Decoy,0,-9.18027,-5.91,-2.67,-5.980251521955517
CCCCn1cc(/C=c2/sc3n(c2=O)[C@H](c2ccccc2)C2=C(N=3)c3ccccc3CC2)c2ccccc21,C59219731_decoy,ITAL,Decoy,0,-9.88088,-9.11,-2.12,-7.750449136543485
CCCCn1cc(/C=c2/sc3n(c2=O)[C@H](c2cccs2)C2=C(N=3)c3ccccc3CC2)c2ccccc21,C59219753_decoy,ITAL,Decoy,0,-9.71743,-8.7,-3.41,-7.315364208329817
Cc1cc([C@@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1NC(=O)N1c2ccccc2Sc2ccccc21,C59244678_decoy,ITAL,Decoy,0,-7.73392,-6.26,-3.16,-5.505735400136545
CC(C)Oc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(Cl)cc1)C1=C(N=2)c2ccccc2CC1,C59365060_decoy,ITAL,Decoy,0,-9.52494,-9.27,-2.69,-8.007729478796369
CC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)SC(c1ccccc1C)(c1ccccc1C)c1ccccc12,C59416344_decoy,ITAL,Decoy,0,-6.00884,-5.93,-3.19,-4.899207254460886
Cc1cc(-n2c(C)cc(/C=C3/S/C(=N\c4ccccc4)NC3=O)c2C)ccc1I,C59433494_decoy,ITAL,Decoy,0,-7.07069,-7.45,-3.45,-4.269782326861192
Cc1cccc(CSc2nc3ccc(/N=C/c4cc(I)ccc4O)cc3s2)c1,C59517204_decoy,ITAL,Decoy,0,-9.42707,-6.49,-2.96,-5.799870372449609
O=C(Nc1ccc2oc(-c3cc(Br)ccc3Cl)nc2c1)C(c1ccccc1)c1ccccc1,C59723480_decoy,ITAL,Decoy,0,-8.72179,-6.35,-1.9,-5.93231404725513
C[C@@]1(c2ccc(Cl)cc2)C=C(c2ccc(Cl)cc2)n2nc(SCc3ccc(Cl)cc3)nc2N1,C02635418_decoy,ITAL,Decoy,0,-11.013,-7.16,-4.83,-8.205461288350685
FC(F)(F)c1ccc(/N=C/C=C(/Nc2ccc(C(F)(F)F)cc2)c2ccc(Br)cc2)cc1,C16400134_decoy,ITAL,Decoy,0,-9.14581,-9.14,-5.15,-7.874000523938494
Cc1ccc(-n2nc(C(=O)c3nc4ccccc4s3)c(C(=O)c3ccccc3)c2-c2ccccc2)cc1,C02140914_decoy,ITAL,Decoy,0,-8.18705,-6.17,,99.0
COc1ccc2c(c1)N(C)/C(=C1/S/C(=N\c3ccc(C(C)=O)cc3)N(c3ccc(F)cc3)C1=O)S2,C04106379_decoy,ITAL,Decoy,0,-8.56307,-5.21,-2.88,-5.031029872109909
COc1cc2c(-c3cccc(Cl)c3)nc3c(c(Cc4ccccc4)nn3-c3ccccc3)c2cc1OC,C02878848_decoy,ITAL,Decoy,0,-7.88953,-5.18,-3.29,-5.080940584184787
Clc1c(Cl)c(C2=NO[C@@H](c3ccccc3)C2)c(Cl)c(Cl)c1C1=NO[C@@H](c2ccccc2)C1,C08955650_decoy,ITAL,Decoy,0,-9.11875,-6.51,-3.3,-6.368606334970405
CC(C)(C)c1ccc(-c2oc3ccc(Cl)cc3c(=O)c2OC(=O)c2cc3ccccc3oc2=O)cc1,C01925216_decoy,ITAL,Decoy,0,-7.21073,-7.55,-2.48,-5.083429054370423
COc1ccc(CCN2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@@H]2c2ccc(C(C)C)cc2)cc1,C02214573_decoy,ITAL,Decoy,0,-8.25514,-5.42,-2.4,-5.936316283720603
O=[N+]([O-])c1ccc(/C=N/c2ccc3oc(-c4cc(I)ccc4Cl)nc3c2)cc1,C03202422_decoy,ITAL,Decoy,0,-7.47068,-7.77,-2.21,-5.900430258574189
CC(C)(C)c1ccc(-c2nc3oc4ccc(Br)cc4c(=O)c3c(=O)n2Cc2ccco2)cc1,C11851719_decoy,ITAL,Decoy,0,-9.38041,-7.72,-3.75,-7.08370740321191
O=C(CSc1ncnc2c1cnn2-c1ccccc1Cl)N1c2ccccc2Sc2ccccc21,C01346549_decoy,ITAL,Decoy,0,-8.25683,-9.56,-2.11,-12.503387711737329
c1ccc([C@H]2c3ccc4ccccc4c3Oc3ncn4nc(CC56CC7CC(CC(C7)C5)C6)nc4c32)cc1,C13643538_decoy,ITAL,Decoy,0,-9.07707,-6.85,-3.17,-6.54512280836527
CC(=O)c1ccc(OCC(=O)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@H]3[C@H]2c2ccc(F)cc2)cc1,C14357995_decoy,ITAL,Decoy,0,-8.63314,-6.67,-2.78,-6.725008419596312
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1)N1CCCc2ccccc21,C15277080_decoy,ITAL,Decoy,0,-8.6581,-7.04,-3.57,-6.705151605142978
Cc1ccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2-c2cc(C)ccc2O[C@@H]3c2cccc(Cl)c2)cc1,C15858968_decoy,ITAL,Decoy,0,-6.19356,-4.77,-2.73,-3.619338285793845
FC(F)(F)c1ccc(-c2c(-c3nnnn3-c3ccc(Cl)cc3)cnn2-c2cccc(Cl)c2)cc1,C16399085_decoy,ITAL,Decoy,0,-8.4669,-11.2,-1.82,-9.400737666893102
C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C(=O)C12CC3CC(CC(C3)C1)C2,C16488905_decoy,ITAL,Decoy,0,-9.08954,-8.52,-3.21,-11.51959657899261
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(Br)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1,C19912048_decoy,ITAL,Decoy,0,-8.77212,-5.23,-3.41,-5.75862156782405
CC(=O)Oc1c(Br)cc(/C=N/c2ccc(/N=N/c3ccccc3)cc2)cc1Br,C20073681_decoy,ITAL,Decoy,0,-7.15201,-6.92,-3.64,-5.447277524484229
FC(F)(F)c1cc(-c2cccs2)nc(-n2nc(C34CC5CC(CC(C5)C3)C4)cc2C(F)(F)F)n1,C20613881_decoy,ITAL,Decoy,0,-7.22706,-8.5,-3.34,-6.796042240738257
COc1ccc(-c2csc3ncnc(Sc4nnc(-c5ccccc5Br)o4)c23)cc1,C20667545_decoy,ITAL,Decoy,0,-9.08939,-9.22,-1.7,-10.966052823555534
Cc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@@H]3c2ccc(Cl)c([N+](=O)[O-])c2)cc1,C25783318_decoy,ITAL,Decoy,0,-8.79113,-6.17,-0.7,-5.767555285783108
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc4ccccc4n3c2=O)cc1Cl,C26779581_decoy,ITAL,Decoy,0,-8.37979,-6.79,-2.75,-5.867732047886279
COc1cc(C)c(/C=C2\Oc3cc(OC(c4ccc(F)cc4)c4ccc(F)cc4)ccc3C2=O)cc1C,C27101384_decoy,ITAL,Decoy,0,-8.90608,-11.03,-2.0,-12.452844425126298
O=C(c1c(-c2ccc(Cl)cc2)c2c3n(c(COc4ccc(Cl)cc4)cn13)CCCC2)C(F)(F)F,C27526389_decoy,ITAL,Decoy,0,-9.21956,-8.99,-1.0,-10.235359464173916
CC(=O)c1sc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)nc1C,C35512899_decoy,ITAL,Decoy,0,-10.4952,-5.45,-2.96,-5.636189561673594
C=CCN1C(=O)/C(=C/C=C2\N(C)c3ccccc3C2(C)C)S/C1=N/S(=O)(=O)c1ccc(F)cc1,C18251587_decoy,ITAL,Decoy,0,-7.85284,-8.09,-1.38,-7.341544529150353
COC(=O)C1=C(C)N=c2s/c(=C\C3=Cc4ccccc4O[C@H]3C)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1,C38249318_decoy,ITAL,Decoy,0,-8.57738,-7.38,-3.9,-7.31465911811225
O=C1N=C2S[C@H]3[C@H]4CC[C@H](C4)[C@@H]3[C@@H](c3cc([N+](=O)[O-])ccc3OCc3ccccc3Cl)[C@@H]2S1,C39354080_decoy,ITAL,Decoy,0,-8.16593,-8.49,-1.97,-8.61560264309174
Cc1ccc(/C=N/N(C(=O)c2cc3c(ccc4ccccc43)oc2=O)c2nc3ccc(F)cc3s2)cc1,C39714037_decoy,ITAL,Decoy,0,-8.18618,-6.0,-2.54,-5.243847062662647
O=C1/C(=c2\sc3nc(-c4cccc5ccccc45)nn3c2=O)c2ccccc2N1Cc1ccc(F)cc1,C39771694_decoy,ITAL,Decoy,0,-8.45694,-9.31,-2.94,-7.210555532013395
Cn1cc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(C3CCCCC3)C2=O)c2ccccc21,C39866027_decoy,ITAL,Decoy,0,-9.36529,-9.06,-3.08,-7.797936625058819
Cc1ccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@H]2c2ccc(C(C)(C)C)cc2)cc1,C39875287_decoy,ITAL,Decoy,0,-9.72798,-7.3,-2.4,-6.862612978237491
Cc1cccc(N2C(=O)c3oc4ccc(Br)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)c1,C39875298_decoy,ITAL,Decoy,0,-8.72638,-5.54,-2.18,-5.236438738536995
CC(=O)c1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc(Oc3ccccc3)c2)cc1,C39879203_decoy,ITAL,Decoy,0,-7.4685,-7.44,-2.23,-6.366946749482113
CCCOc1cccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccccc2Cl)c1,C39913727_decoy,ITAL,Decoy,0,-8.63534,-9.43,-1.98,-8.18511322982624
Brc1cccc(CSc2nnc(-c3csc4c3CCCCC4)n2C[C@H]2CCCO2)c1,C39966912_decoy,ITAL,Decoy,0,-10.2841,-9.16,-1.42,-10.045029558755152
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1ccc(Cl)c(Cl)c1)N(c1nnc(C(C)C)s1)C3=O,C40008866_decoy,ITAL,Decoy,0,-9.82643,-5.18,-2.33,-5.754338255968196
Cc1cc2c(cc1Cl)C(=O)/C(=C/c1ccc(OC(=O)[C@@H](C)Oc3cc(C)c(Cl)c(C)c3)cc1)O2,C40132199_decoy,ITAL,Decoy,0,-8.36862,-8.14,-3.42,-6.453541275894016
N#C/C(=C\c1ccc(-c2ccccc2F)o1)c1nc(-c2ccc(-c3cc(Cl)ccc3Cl)o2)cs1,C40147160_decoy,ITAL,Decoy,0,-9.20822,-9.49,-2.44,-7.600098354520257
Cc1ccc(S(=O)(=O)N(C(=O)COc2ccc(C)cc2Br)c2cccc(C)c2C)cc1,C40987954_decoy,ITAL,Decoy,0,-9.28839,-9.63,-2.27,-9.34785057843873
CC1=C(C(=O)OCc2ccccc2)[C@H](c2cccs2)n2c(s/c(=C/c3ccccc3Cl)c2=O)=N1,C43759570_decoy,ITAL,Decoy,0,-9.0449,-6.95,-2.22,-8.886047277340422
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2ccc(F)cc2)n2c(s/c(=C\c3ccc(C)cc3)c2=O)=N1,C03242172_decoy,ITAL,Decoy,0,-8.34147,-9.11,-1.21,-7.891855093324743
Cc1c(Cc2ccccc2)c(N2CCN(C/C=C/c3ccccc3)CC2)n2c(nc3ccccc32)c1C#N,C52538832_decoy,ITAL,Decoy,0,-8.48124,-5.53,-3.56,-5.533253078916952
Clc1cccc(Cl)c1CSc1nn2c(SCc3c(Cl)cccc3Cl)nnc2s1,C58825080_decoy,ITAL,Decoy,0,-9.19141,-8.28,-2.91,-10.108835708542363
Cc1ccc(N2N=C(C(=O)c3ccccc3)S[C@]23C=CC(c2ccccc2)=NN3c2ccccc2)cc1,C59122677_decoy,ITAL,Decoy,0,-9.12184,-7.73,-2.34,-9.524253385275708
O=[N+]([O-])c1ccc(-c2sc(/N=C/c3cccc(Br)c3)nc2-c2ccc(Cl)cc2)cc1,C59463721_decoy,ITAL,Decoy,0,-10.3242,-9.48,-2.39,-12.187246714982283
Cc1cc(C)c(N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N(c2c(C)cc(C)cc2C)C4=O)c(C)c1,C59487694_decoy,ITAL,Decoy,0,-7.47283,-4.84,-3.35,-4.560186726787125
O=c1/c(=C\c2ccccc2Cl)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1,C59567647_decoy,ITAL,Decoy,0,-8.10284,-8.99,-1.93,-6.793055723749225
O=c1/c(=C\c2ccc(Cl)cc2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1,C59678126_decoy,ITAL,Decoy,0,-8.36699,-5.41,-1.87,-4.853157378391879
Cc1ccc(C(=O)Oc2ccc3c(-c4cc5cc(Br)ccc5oc4=O)cc(=O)oc3c2)cc1,C41284501_decoy,ITAL,Decoy,0,-8.45109,-8.49,,99.0
CCn1cc(/C=C2\Oc3cc(OCc4ccc(Cl)c(Cl)c4)cc(C)c3C2=O)c2cc(OC)ccc21,C41435156_decoy,ITAL,Decoy,0,-9.03808,-8.42,-2.12,-6.963413180118852
Oc1cc2ccccc2cc1-c1nc2c3c4c(sc3ncn2n1)C[NH+](Cc1ccccc1)CC4,C08816815_decoy,ITAL,Decoy,0,-8.54041,-6.96,-1.37,-5.661389112230662
O=C1/C(=C/c2cc(Br)cc3c2OCOC3)Oc2c1ccc(O)c2C[NH+]1CCCCCC1,C08991350_decoy,ITAL,Decoy,0,-9.21141,-5.19,-1.86,-5.39494214396395
CCOC(=O)c1c(/N=C/c2cc(Br)cc(Br)c2O)sc2c1CC[NH+](C)C2,C09034169_decoy,ITAL,Decoy,0,-10.3104,-7.73,-2.15,-12.195247551137337
O=c1[nH]c(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc2scc(-c3ccccc3)c12,C09255554_decoy,ITAL,Decoy,0,-7.82398,-7.91,-2.9,-6.135101021596306
O=C1N[C@](Cc2ccccc2)(c2ccccc2)C(=O)N1C[NH+]1CCCC[C@@H]1c1nc2ccccc2s1,C09464248_decoy,ITAL,Decoy,0,-9.40476,-8.53,-2.5,-8.163342944465299
Cc1nn(Cc2cccc(C(=O)Nc3ccc(C[NH+]4CCCCC4)cc3)c2)c(C)c1Br,C12372201_decoy,ITAL,Decoy,0,-7.87742,-6.11,-1.82,-5.491676985071485
C[C@@H]1C[C@H](C)C[NH+](Cc2c(O)ccc3c(-c4cc5cc(Cl)ccc5oc4=O)cc(=O)oc23)C1,C12880221_decoy,ITAL,Decoy,0,-8.21571,-8.7,-2.31,-9.33697300106189
COC(=O)c1sc2nc(C[NH+]3CCCC[C@@H]3C)ccc2c1NC(=O)c1ccccc1Cl,C12152326_decoy,ITAL,Decoy,0,-9.26185,-5.79,-1.97,-6.5332094507730325
Cc1sc(NC(=O)C[NH+]2CCCCCC2)nc1-c1ccc2c(c1)CCN2C(=O)c1ccc(F)cc1,C13564980_decoy,ITAL,Decoy,0,-7.6632,-6.21,-2.71,-4.907241275037742
CCCCn1cnc2sc3c(c2c1=O)CC[C@H]([NH+]1CCC(c2nc4ccccc4[nH]2)CC1)C3,C15071161_decoy,ITAL,Decoy,0,-7.8831,-5.53,-2.21,-5.2086965517644535
CC1CC[NH+](Cc2ccc(NC(=O)c3nn(C)c4c3CSc3ccc(Cl)cc3-4)cc2)CC1,C15782836_decoy,ITAL,Decoy,0,-9.91152,-5.75,-2.81,-5.93618942218155
CC(C)(C[NH2+][C@@H]1CCc2c(sc3ncn(CC4CCCCC4)c(=O)c23)C1)N1CCOCC1,C20325067_decoy,ITAL,Decoy,0,-7.55197,-5.6,-2.63,-5.326796339669021
O=C(Nc1ccc(C[NH+]2CCCCC2)cc1)c1c2c(nc3ccccc13)C(=O)N(C1CCCCC1)C2,C21915507_decoy,ITAL,Decoy,0,-6.32923,-6.22,-4.07,-4.293127948028922
C[C@H](c1nc2ccccc2c(=O)[nH]1)[NH+]1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,C22920196_decoy,ITAL,Decoy,0,-9.46476,-9.65,-1.37,-8.477814410459555
Cc1cc(C)c(NC(=O)C2CC[NH+](Cc3nc(-c4ccc(C(C)(C)C)cc4)no3)CC2)c(C)c1,C30977246_decoy,ITAL,Decoy,0,-8.13327,-8.0,-2.31,-6.2216963432156325
CC(C)(C)c1ccc([C@H](Cn2cnc3c4c(sc3c2=O)SCC(=O)N4)[NH+]2CCCCC2)cc1,C35671567_decoy,ITAL,Decoy,0,-7.71413,-5.55,-2.13,-5.028895170032517
Cc1sc(NC(=O)c2ccco2)c([C@@H](c2cccnc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1C,C06144658_decoy,ITAL,Decoy,0,-9.26251,-5.4,-3.19,-5.669982937916408
Cc1sc(NC(=O)c2ccco2)c([C@H](c2cccnc2)[NH+]2CCN(c3ccc(F)cc3)CC2)c1C,C06144661_decoy,ITAL,Decoy,0,-7.39878,-5.79,-3.7,-5.804217558637106
CC1(C)C[C@H]2C[C@](C)(C[NH+]2Cc2c(O)ccc3c(=O)c(-c4ccc5c(c4)OCCO5)coc23)C1,C38194620_decoy,ITAL,Decoy,0,-8.22542,-5.96,-1.57,-5.033894465705847
CSC1=NC2=[NH+]C3=C([C@@H](c4ccc(F)cc4)Oc4ccccc43)[C@@H](c3ccc(F)cc3)N2N1,C02251052_decoy,ITAL,Decoy,0,-8.53263,-5.28,-1.62,-5.411140743454724
Oc1c(Br)cc(Br)cc1/C=N/N1C(=S)N=[NH+][C@H]1c1ccccc1Cl,C38966168_decoy,ITAL,Decoy,0,-9.09884,-7.62,-1.74,-7.405823997647347
Oc1c(Br)cc(Br)cc1/C=N/N1C(=S)N=[NH+][C@H]1c1ccc(Cl)cc1,C39011979_decoy,ITAL,Decoy,0,-9.73379,-4.83,-1.06,-4.509734307625728
C[NH+]1CCC2(CC1)CC(=O)c1cc(-c3ccc(C(=O)NCc4ccc(F)cc4)cc3)ccc1O2,C39227371_decoy,ITAL,Decoy,0,-7.69347,-5.59,-1.48,-4.745534233699615
COc1ccc([C@@H]2CC([C@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)=NN2)cc1OC,C39359612_decoy,ITAL,Decoy,0,-7.63154,-4.96,-1.42,-4.989367072464785
COC(=O)[C@@H]1CC2=C3CC=CC=C3N=C2[C@H]2C[C@H]([NH2+]Cc3ccccc3)C[C@@H](c3ccccc3)N21,C39560714_decoy,ITAL,Decoy,0,-8.69827,-5.15,-3.27,-6.049548663840278
COc1ccc([C@@H]2CC([C@@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)=NN2)c(OC)c1,C39700723_decoy,ITAL,Decoy,0,-7.72574,-8.79,-2.12,-7.499246933788123
Cc1ccc(-c2noc(C[NH+]3CCC(C(=O)NCc4ccc(Cl)c(Cl)c4)CC3)n2)cc1,C40930612_decoy,ITAL,Decoy,0,-9.35112,-7.82,-1.98,-7.010106169044628
CO[C@H]1[C@H](NC(=O)c2ccco2)c2ccccc2C12CC[NH+](CC1=CC[C@@H]3C[C@H]1C3(C)C)CC2,C43610118_decoy,ITAL,Decoy,0,-8.34409,-5.25,-2.66,-5.77000306021067
Cc1ccc(-c2noc([C@@H](C)[NH+](C)CC(=O)Nc3ccc(Br)cc3C)n2)cc1F,C45794899_decoy,ITAL,Decoy,0,-9.40771,-8.23,-1.67,-10.33523921976712
COc1ccc(Br)c(C(=O)/N=c2\[nH]c3c(s2)C[NH+](Cc2ccccc2)CC3)c1,C22283595_decoy,ITAL,Decoy,0,-7.87694,-7.34,-2.13,-7.28426138613082
CCn1cc(/C=C2\Oc3c(C[NH+]4CCCCCC4)c(O)cc(C)c3C2=O)c2cc(OC)ccc21,C41514354_decoy,ITAL,Decoy,0,-9.09618,-8.8,-3.29,-7.982757976028495
CCOC(=O)[C@@H]1CCC[NH+](Cc2c(O)ccc3c2O/C(=C\c2c(F)cccc2Cl)C3=O)C1,C41586457_decoy,ITAL,Decoy,0,-9.52434,-5.61,-4.61,-6.560987084991079
CCOC(=O)[C@H]1CCC[NH+](Cc2c(O)ccc3c2O/C(=C\c2c(F)cccc2Cl)C3=O)C1,C41586458_decoy,ITAL,Decoy,0,-7.22246,-5.37,-1.7,-5.539688253188049
Cc1ccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@@H]2Nc2ccc(Cl)cc2Cl)cc1,C39978902_decoy,ITAL,Decoy,0,-8.6561,-9.34,-1.8,-8.165957930836997
Cc1ccc(N[C@@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cc(Cl)ccc2Cl)cc1,C39980087_decoy,ITAL,Decoy,0,-7.70106,-7.03,-3.16,-6.310016636968249
C[C@@H]1c2cc3c(cc2OC(=O)[C@H]1CC(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1)OC(C)(C)CC3,C63384858_decoy,ITAL,Decoy,0,-9.67022,-7.41,-1.82,-6.8559231307980495
C[C@H]([NH2+][C@@H]1CC(=O)N(c2ccc(N=Nc3ccccc3)cc2)C1=O)C12CC3CC(CC(C3)C1)C2,C27550182_decoy,ITAL,Decoy,0,-8.13221,-8.05,-2.31,-6.996274016402968
C[C@@H]1[NH+]=c2c(Cl)cccc2=C1CCNC(=O)c1cc(S(=O)(=O)N(C)C)c(Cl)cc1Cl,C63514350_decoy,ITAL,Decoy,0,-8.68214,-8.09,-3.34,-8.597622422576967
COc1cc(S(=O)(=O)NCCC2=c3cc(Br)ccc3=[NH+][C@@H]2C)ccc1Cl,C63674251_decoy,ITAL,Decoy,0,-8.55728,-8.25,-2.14,-10.949852232579964
Cc1cccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@@H]2Nc2cccc(C(F)(F)F)c2)c1,C38980579_decoy,ITAL,Decoy,0,-7.96841,-10.01,-2.74,-8.219860191113462
Cc1ccc(N[C@@H]2[NH+]=c3ccccc3=N/C2=N\S(=O)(=O)c2cccc(Cl)c2)cc1Cl,C38980968_decoy,ITAL,Decoy,0,-8.28528,-9.71,-4.38,-7.962383361061056
Cc1coc2c(C)c3oc(=O)c(CC(=O)NCCC4=c5cc(Cl)ccc5=[NH+]C4)c(C)c3cc12,C64416337_decoy,ITAL,Decoy,0,-6.95892,-6.03,-3.89,-4.900403239528515
COc1cc2c(cc1Cl)[C@H](C)[C@@H](CC(=O)NCCC1=c3cc(Cl)ccc3=[NH+]C1)C(=O)O2,C64417729_decoy,ITAL,Decoy,0,-8.01729,-8.0,-2.0,-8.968629587231623
Cc1coc2c(C)c3oc(=O)c(CCC(=O)N[C@@H](C)CC4=c5ccccc5=[NH+]C4)c(C)c3cc12,C64480294_decoy,ITAL,Decoy,0,-8.02852,-9.33,-2.32,-7.740915442169857
CCOC(=O)c1ccccc1NC(=O)N1CCC2=c3ccccc3=[NH+][C@@H]2[C@@H]1c1ccc(F)cc1,C64622932_decoy,ITAL,Decoy,0,-8.52204,-9.14,-0.92,-13.540792439146268
CC[NH+]1CCc2c(sc3c2CN(C(=O)Nc2ccccc2)[C@@H](c2ccc(C)cc2)c2cccn2-3)C1,C35427388_decoy,ITAL,Decoy,0,-7.33942,-4.61,-1.15,-4.847471818754465
Cc1ccc(C(=O)Nc2cc(C)ccc2OCc2cc(=O)n3c4c(sc3[nH+]2)CCCC4)cc1,C35447970_decoy,ITAL,Decoy,0,-8.06879,-6.0,-1.71,-6.059015317015544
Cc1cccc(NC(=O)c2cc3cc(Br)ccc3o/c2=[NH+]\c2ccc(C)c(C)c2)n1,C67294655_decoy,ITAL,Decoy,0,-7.2108,-6.03,-2.74,-4.301852467907176
O=C(Nc1ccccn1)c1cc2cc(Br)ccc2o/c1=[NH+]\c1cc(F)ccc1Cl,C67295104_decoy,ITAL,Decoy,0,-8.23238,-9.11,-1.57,-8.696775744979368
O=C(Nc1nccs1)c1cc2cc(Br)ccc2o/c1=[NH+]\c1ccc(F)cc1Cl,C67295315_decoy,ITAL,Decoy,0,-9.72577,-5.08,-2.55,-5.228216398007123
COc1cccc(-c2cc(C(=O)Nc3ccc(N(C)C(C)=O)cc3)c3cc(Br)ccc3n2)c1,C00685956_decoy,ITAL,Decoy,0,-7.59952,-4.84,,99.0
CCOc1ccccc1[C@@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)CC,C00672269_decoy,ITAL,Decoy,0,-6.86895,-5.39,-4.05,-4.917214987491222
Cc1ccc(-n2c(SCC(=O)Nc3ccccn3)nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1,C09068767_decoy,ITAL,Decoy,0,-9.74126,-5.94,-2.89,-6.569019284480588
Cc1ccc(S(=O)(=O)N2CCc3ccc(NS(=O)(=O)c4c(C)c(C)cc(C)c4C)cc3C2)cc1,C08839972_decoy,ITAL,Decoy,0,-7.8641,-9.27,-3.17,-7.735961679024352
Cc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(C)cc3)=NC2=O)cc1,C09432162_decoy,ITAL,Decoy,0,-8.61015,-10.59,-2.48,-8.470386637230533
O=C(CSc1nc2c(c(=O)n1Cc1ccco1)C1(CCCC1)Cc1ccccc1-2)Nc1ccccc1,C09462386_decoy,ITAL,Decoy,0,-7.59731,-7.95,-2.27,-7.351940498138756
Cc1ccc2nc(NC(=O)CSc3nc4c(c(=O)n3-c3ccc(F)cc3)S[C@H](C)C4)sc2c1,C09560191_decoy,ITAL,Decoy,0,-9.52292,-5.78,-4.11,-6.695920337178047
COC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)CSc1ncnc2sc3c(c12)CCC3,C01803370_decoy,ITAL,Decoy,0,-8.96258,-8.19,-2.19,-9.604944603904316
CCOC(=O)c1c(NC(=O)c2cc3cc(Br)ccc3oc2=O)sc(C)c1-c1ccccc1,C01953165_decoy,ITAL,Decoy,0,-9.11286,-5.26,-2.31,-5.8805585532094256
CCN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1,C12347173_decoy,ITAL,Decoy,0,-7.93858,-6.99,-3.56,-6.247461747794214
CC(=O)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@@H](C)C4)cc1,C00908709_decoy,ITAL,Decoy,0,-8.83682,-8.3,-3.79,-10.457279450324933
CCCCc1ccc(C(=O)N2CCC[C@H]2C(=O)Nc2nnc(-c3ccc(Br)cc3)s2)cc1,C16571623_decoy,ITAL,Decoy,0,-8.07555,-7.03,-2.99,-6.41778024540815
COC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(Br)c1,C00647958_decoy,ITAL,Decoy,0,-8.63881,-4.71,-1.67,-6.124824877270067
Cc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccc(F)cc4)C[C@@H]3c3ccc(F)cc3)=NC2=O)cc1C,C20490692_decoy,ITAL,Decoy,0,-8.51303,-10.8,-1.13,-10.040381051362193
Cc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(C)cc4C)S3)[C@H](c3ccccc3)C2)cc1,C20491379_decoy,ITAL,Decoy,0,-8.14637,-10.23,-1.87,-8.500073108326347
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2coc3ccccc3c2=O)C2=C(C[C@H](c3cccs3)CC2=O)N1,C01438574_decoy,ITAL,Decoy,0,-9.78642,-5.13,-3.17,-6.225294747056925
CCc1ccccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1C[C@H]1CCCO1)CC[C@H](C)C3,C22521311_decoy,ITAL,Decoy,0,-10.6881,-8.23,-3.33,-8.47625130624757
Cc1ccc([C@H](c2c([O-])cc(C)n(Cc3ccccn3)c2=O)[NH+]2CCN(c3ccc(F)cc3)CC2)cc1,C22698015_decoy,ITAL,Decoy,0,-8.05731,-7.36,-2.45,-8.276162918413501
COc1ccc(-c2coc3cc(OCC(=O)N[C@H](C)c4ccc(Br)cc4)ccc3c2=O)cc1,C27102810_decoy,ITAL,Decoy,0,-7.42654,-5.29,-2.07,-4.720075699531376
Cc1cc(Br)ccc1S(=O)(=O)Nc1cc2c(cc1Sc1ccccc1)n(C)c(=O)n2C,C28049139_decoy,ITAL,Decoy,0,-8.82447,-7.72,-3.49,-7.547737856682531
Cc1ccc2nc(NC3CCCC3)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1,C33807051_decoy,ITAL,Decoy,0,-9.64779,-5.25,-2.07,-6.308575784924882
CCC1=C(C)Cc2sc3c(c21)c(=O)n(CC(=O)Nc1ccc(Br)cc1)c(=O)n3CC(C)C,C34731958_decoy,ITAL,Decoy,0,-8.07103,-6.22,-2.38,-7.098543597447966
C=C(C)Cn1c(=O)c2c3c(sc2n(CC(=O)Nc2ccc(Br)cc2)c1=O)CC(C)=C3CC,C34733630_decoy,ITAL,Decoy,0,-8.91196,-6.21,-1.99,-6.843735515529831
O=C1/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1Nc1nc2ccccc2s1,C35519325_decoy,ITAL,Decoy,0,-10.2397,-6.44,-5.66,-2.459891454516365
O=C(Nc1ccc(F)c(F)c1)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1)C1CC1,C35708137_decoy,ITAL,Decoy,0,-8.27634,-10.57,-2.69,-10.310988842134629
Cc1cccc(C)c1NC(=O)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C[C@@H]1CCCO1,C35839096_decoy,ITAL,Decoy,0,-7.66148,-9.7,-3.64,-8.175634945516036
Cc1ccc(S(=O)(=O)CNC(=O)[C@H](C2CCCCC2)N(C(=O)C#Cc2ccccc2)C(C)(C)C)cc1,C36586019_decoy,ITAL,Decoy,0,-9.9588,-8.13,-2.98,-11.961215027526888
Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@H]3c2cccc(F)c2)cc1,C37427435_decoy,ITAL,Decoy,0,-7.98702,-4.62,-3.1,-5.724509098748406
CCC(=O)N1CCc2ccc(OCc3nc(C(=O)Nc4ccccc4)cs3)cc2[C@@H]1c1ccccc1,C37602443_decoy,ITAL,Decoy,0,-8.85422,-5.83,-3.36,-5.495191686270196
COc1ccc(S(=O)(=O)c2nc(-c3ccc(Br)cc3)oc2NCc2ccccc2)cc1,C38589312_decoy,ITAL,Decoy,0,-8.38832,-8.92,-1.73,-8.883842621502597
CCOc1cc([C@H]2NC(=O)c3oc4ccc(Br)cc4c(=O)c32)ccc1OCc1ccccc1,C38702780_decoy,ITAL,Decoy,0,-7.83883,-8.35,-3.34,-7.581850905378193
Cc1c(-c2ccccc2O)c2c(n1S(=O)(=O)C(C)C)-c1nccc(Cc3ccccc3)c1C(=O)CC2,C39457766_decoy,ITAL,Decoy,0,-9.23034,-6.08,-3.32,-6.093165985988133
CCOC(=O)c1c(Cn2cncn2)cc2cc(O)c(SC)cc2c1-c1cccc(Br)c1,C39502521_decoy,ITAL,Decoy,0,-10.2975,-4.43,-1.66,-6.021170269046525
Cc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1C,C39896458_decoy,ITAL,Decoy,0,-8.62244,-7.07,-3.25,-7.1247672680868845
Cc1cc(F)ccc1NC(=O)CSc1nnc(-c2csc3c2CCCCC3)n1C[C@@H]1CCCO1,C39966943_decoy,ITAL,Decoy,0,-10.4586,-9.19,-1.94,-10.06386742791656
Cc1c(C(=O)Nc2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)oc2cc(Br)ccc12,C40115579_decoy,ITAL,Decoy,0,-8.49829,-8.43,-2.95,-7.217878667353454
Cc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(F)c(C)c4)S3)[C@H](c3ccccc3)C2)cc1,C40485276_decoy,ITAL,Decoy,0,-8.23181,-8.73,-2.66,-7.688326077988893
Cc1cc(Br)ccc1NC(=O)[C@H](C)Sc1nc2ccccc2c(=O)n1Cc1ccco1,C45830101_decoy,ITAL,Decoy,0,-8.56486,-4.85,-1.76,-5.676787006750121
[H]/N=C1C(=C\c2cn(CCCOc3ccc(C)cc3)c3ccccc23)\C(=O)N=C2SC=C(c3ccccc3)N2\1,C13810310_decoy,ITAL,Decoy,0,-9.63819,-9.1,-2.19,-9.577020494178171
O=C(CSc1nnc(-c2cc(Br)ccc2O)n1-c1ccccc1)N1CCc2ccccc21,C09273693_decoy,ITAL,Decoy,0,-9.36907,-9.11,,99.0
Cn1c(CCN2CCN(c3ccccc3)CC2)nc2cc(NC(=O)c3cccc(Br)c3)ccc21,C57264331_decoy,ITAL,Decoy,0,-9.7381,-8.71,-3.91,-7.155846673687942
COc1ccc(CCN2C(=O)C[C@H](C(=O)Nc3ccccc3Cl)S/C2=N\c2ccc(F)cc2)cc1,C33721110_decoy,ITAL,Decoy,0,-9.24325,-5.74,-3.54,-6.949927433965649
COc1ccc(/N=C2\S[C@H](C(=O)Nc3ccc(F)cc3)CC(=O)N2Cc2ccccc2Cl)cc1,C33631886_decoy,ITAL,Decoy,0,-7.80515,-7.77,-3.48,-7.179743879872612
CCOc1ccc(-c2nnc(SCC(=O)Nc3ccc(Br)c(Br)c3)o2)cc1,C33445328_decoy,ITAL,Decoy,0,-8.28865,-7.34,-3.45,-6.800485659579667
CCN(CC)C(=O)/C(C#N)=C\c1cc(C)n(-c2sc3c(c2C(=O)Nc2ccc(C)cc2)CCCC3)c1C,C59249239_decoy,ITAL,Decoy,0,-8.32385,-4.66,-2.44,-5.1717620435969005
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1ccc(Br)cc1,C14081367_decoy,ITAL,Decoy,0,-9.10415,-7.4,-3.94,-9.175352170707615
[H]/N=C1C(=C\c2ccc(OCc3ccccc3Cl)cc2)/C(=O)N=C2SC(c3ccccc3Cl)=NN2/1,C26608611_decoy,ITAL,Decoy,0,-7.82838,-9.04,-3.84,-9.009375346962946
O=C(CSc1nc2c(sc3ncccc32)c(=O)n1Cc1ccc(F)cc1)Nc1ccc(F)c(F)c1,C35462673_decoy,ITAL,Decoy,0,-8.38123,-5.44,,99.0
Cc1ccc(CNC(=O)CSc2nc3c(sc4ncccc43)c(=O)n2Cc2ccc(C)cc2)cc1,C45923244_decoy,ITAL,Decoy,0,-9.54469,-7.4,-2.91,-9.526305800409478
CCOc1ccc(-c2cc3c(SCC(=O)Nc4ccc(C)cc4Br)nccn3n2)cc1,C67290564_decoy,ITAL,Decoy,0,-8.34361,-7.39,-2.45,-9.131167865609443
COC(=O)[C@@]1(C(F)(F)F)N=C2C=CC(Br)=CN2C(c2ccc(F)cc2)=N1,C03618101_decoy,ITAL,Decoy,0,-8.35623,-9.0,-1.73,-10.156406890002629
Cc1sc2ncnc(SCc3nnc(-c4ccccc4Br)o3)c2c1C,C03495345_decoy,ITAL,Decoy,0,-8.23134,-8.27,-3.36,-7.03806411419172
CCCS(=O)(=O)N1C[C@@H]2C[C@H](C1)c1c(/C=C/c3ccc(Cl)cc3)ccc(=O)n1C2,C05441202_decoy,ITAL,Decoy,0,-7.66849,-4.8,,99.0
Clc1ccc2c(c1)C(c1ccccc1Cl)=NCc1nnc(CSCc3cccnc3)n1-2,C00702125_decoy,ITAL,Decoy,0,-9.53445,-9.21,-1.81,-11.384878707449332
COc1cc(/C=C2\SC(=S)N(C)C2=O)cc(Br)c1OC(=O)c1cccs1,C08722501_decoy,ITAL,Decoy,0,-8.65113,-7.09,-2.72,-11.196823004723589
O=C1CS[C@@H](c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)N1C[C@H]1CCCO1,C00953989_decoy,ITAL,Decoy,0,-8.73266,-4.47,-1.92,-5.359397426420129
O=C1CCCC2=C1[C@H](c1cccs1)CC(=O)N2c1nnc(SCc2ccccc2)s1,C01445959_decoy,ITAL,Decoy,0,-9.2354,-7.87,-2.88,-7.308098666012812
Cc1cc2oc(C(=O)N(Cc3sccc3C)[C@@H]3CCS(=O)(=O)C3)c(C)c2cc1Cl,C09431308_decoy,ITAL,Decoy,0,-9.10932,-7.88,-2.9,-8.991867646967975
CCc1ccc(S(=O)(=O)c2cn(CC)c3cc(N4C[C@@H](C)C[C@H](C)C4)c(F)cc3c2=O)cc1,C09119212_decoy,ITAL,Decoy,0,-8.30765,-8.79,-2.35,-8.147645300783397
CCCn1cc(S(=O)(=O)c2cc(C)cc(C)c2)c(=O)c2cc(F)c(N3CCC[C@H](C)C3)cc21,C09435664_decoy,ITAL,Decoy,0,-8.31019,-8.66,-3.85,-7.788720016219158
COc1cccc(-n2cc(C(=O)N(C)c3cc(Cl)ccc3C)c3ccccc3c2=O)c1,C09438819_decoy,ITAL,Decoy,0,-7.5997,-7.56,-1.55,-7.557427579340515
O=C(CSc1nncn1-c1ccccc1)N1c2ccccc2SC[C@H]1c1ccccc1,C09468588_decoy,ITAL,Decoy,0,-7.56875,-10.33,-2.37,-10.397715533398816
COc1cc2c(=O)c(C(=O)c3ccc(F)cc3)cn(Cc3ccccc3F)c2cc1OC,C02691224_decoy,ITAL,Decoy,0,-8.80198,-5.43,-1.27,-6.012443321435511
CC[C@H](C)N(C(=O)CSc1nc2cc(Cl)ccc2s1)[C@@H]1CCS(=O)(=O)C1,C09665752_decoy,ITAL,Decoy,0,-8.79265,-7.1,-1.81,-7.661387485648234
CC(C)n1c(SCc2cc3c(cc2Br)OCCO3)nc2ccccc2c1=O,C10864839_decoy,ITAL,Decoy,0,-7.83599,-4.97,-1.98,-4.727094018894325
O=S(=O)(CCSc1nnc2sc3ccccc3n12)c1ccc(Br)cc1,C11317135_decoy,ITAL,Decoy,0,-9.0918,-7.67,-2.58,-7.930103119273487
Cc1ccc(C(=O)N(Cc2ccc(-c3ccc(Cl)cc3)o2)[C@H]2CCS(=O)(=O)C2)cc1,C11913938_decoy,ITAL,Decoy,0,-8.24446,-5.03,-2.3,-5.131110958774651
Cc1nn(Cc2ccccc2Cl)c(C)c1C(=O)N1/C(=N/Cc2ccccc2)SCC1(C)C,C02650811_decoy,ITAL,Decoy,0,-6.22723,-9.72,,99.0
C=CCN(C(=O)c1cccc(Cl)c1)c1nc(-c2ccc(S(C)(=O)=O)cc2)cs1,C12807767_decoy,ITAL,Decoy,0,-9.32412,-7.83,-2.9,-10.502598545051328
Cc1c(Br)c(C(F)F)nn1[C@H](C)c1nnc(Cc2ccc(Cl)cc2)o1,C02804430_decoy,ITAL,Decoy,0,-7.77245,-7.98,-2.55,-7.242270078953082
Cc1cc(-c2csc(Cc3nnc4n3CCCCC4)n2)c(C)n1CCc1ccccc1,C14200070_decoy,ITAL,Decoy,0,-8.48037,-7.14,-3.51,-6.515118409754503
O=C(OCC(=O)N1N=C(c2cccs2)C[C@@H]1c1cccs1)c1ccc(F)cc1F,C15180011_decoy,ITAL,Decoy,0,-9.05734,-8.25,-1.67,-8.9940510611588
Cc1ccc(-n2c([C@H](C)N(C)C(=O)c3ccccc3)nc3cc(Cl)ccc3c2=O)cc1,C00743355_decoy,ITAL,Decoy,0,-6.78036,-6.25,-3.19,-6.589371959496531
O=C(CCC1CCCC1)N1CCSC12CCN(S(=O)(=O)c1ccc(F)cc1)CC2,C16492574_decoy,ITAL,Decoy,0,-8.97781,-8.48,-2.17,-9.561562721966492
CN(Cc1ccc(Cl)cc1Cl)C(=O)Cn1cnc2scc(-c3cccs3)c2c1=O,C17967558_decoy,ITAL,Decoy,0,-9.32939,-7.47,-4.33,-7.493949961558266
N#CCN(C(=O)CSc1nn(-c2ccc(Cl)cc2)c(=S)s1)c1ccccc1,C23422611_decoy,ITAL,Decoy,0,-8.55696,-5.92,-2.52,-6.13836812251392
Brc1ccc(-c2nnc(CN3CCCC[C@H]3c3nc4ccccc4s3)o2)s1,C23983439_decoy,ITAL,Decoy,0,-8.56641,-8.69,-1.13,-7.968212420498382
CN(C(=O)CSc1ncnc2sccc12)[C@]1(c2ccccc2Cl)CCCCC1=O,C24971735_decoy,ITAL,Decoy,0,-7.57878,-8.06,-1.54,-8.238408940596132
COc1ccc(C(=O)C2=CN(c3cccc(SC)c3)c3cc(F)ccc3S2(=O)=O)cc1,C32984376_decoy,ITAL,Decoy,0,-7.94342,-9.19,-1.72,-7.530409312176271
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2ccccc2)SC(=S)N1Cc1ccco1,C33438506_decoy,ITAL,Decoy,0,-8.94069,-5.98,-2.08,-6.359579018193766
Cc1ccc(C(=O)N(CC(=O)N2CCn3cccc3[C@H]2c2cccc(F)c2)C(C)C)cc1,C33477951_decoy,ITAL,Decoy,0,-8.06223,-7.11,-1.63,-7.165427945770215
CN1OC[C@@H](S(=O)(=O)Oc2c(F)c(F)c(F)c(F)c2F)[C@@H]1c1ccc(F)c(Cl)c1,C34738606_decoy,ITAL,Decoy,0,-8.28455,-8.7,-2.93,-8.183861735518045
CC(C)(C)N(CC(=O)N1CCn2cccc2[C@H]1c1cccc(Cl)c1)C(=O)c1ccccc1,C35522669_decoy,ITAL,Decoy,0,-9.0594,-9.0,-2.42,-12.521984963023838
CC(C)(C)N(CC(=O)N1CCn2cccc2[C@H]1c1ccc(F)cc1F)C(=O)c1cccc(F)c1,C35594785_decoy,ITAL,Decoy,0,-7.98111,-8.9,-2.58,-7.898278267349045
CN(C(=O)c1cccc(/C=C2\SC(=O)N(Cc3ccc(F)cc3F)C2=O)c1)C1CCCCC1,C35921157_decoy,ITAL,Decoy,0,-8.36077,-7.62,-2.11,-6.750760144769267
COc1ccc(C(=O)N2CCS[C@@]23C(=O)N(Cc2ccc(F)cc2)c2ccc(C)cc23)cc1,C36152673_decoy,ITAL,Decoy,0,-9.96674,-10.07,-2.27,-16.362623146648673
Cc1nn(Cc2nnc(-c3cc(C(F)(F)F)cc(C(F)(F)F)c3)o2)c(C)c1Br,C02155299_decoy,ITAL,Decoy,0,-7.02525,-10.39,-1.28,-13.824666405264148
CCON1CCC[C@H](I)[C@@]12CC[C@H](S(=O)(=O)Oc1ccccc1)C2,C39519679_decoy,ITAL,Decoy,0,-8.15446,-6.67,-2.99,-7.3765613198552495
Cc1ccc(C)c2sc(OC3CCN(C(=O)Cc4cn(C)c5ccccc45)CC3)nc12,C49435457_decoy,ITAL,Decoy,0,-8.51182,-9.22,,99.0
Cc1cccc2sc(OC3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)nc12,C49443861_decoy,ITAL,Decoy,0,-8.14499,-8.29,-2.9,-6.686076362737781
O=S(=O)(c1ccc(Cl)s1)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1,C49444107_decoy,ITAL,Decoy,0,-9.04954,-7.36,-3.11,-6.800399104185894
O=S(=O)(c1ccc(Cl)s1)N1CCC(Oc2nc3ccc(F)cc3s2)CC1,C49444387_decoy,ITAL,Decoy,0,-8.96943,-7.45,-2.48,-8.087945170990071
O=c1cc(C(F)(F)F)c2ccc(OS(=O)(=O)c3ccccc3Br)cc2o1,C23862324_decoy,ITAL,Decoy,0,-7.25142,-9.26,-2.42,-7.432646505364108
Cc1cc(-n2c(SCC(=O)N3CCC(C)CC3)nc3ccsc3c2=O)ccc1F,C57428626_decoy,ITAL,Decoy,0,-7.9612,-7.15,-2.48,-8.674435453384346
CC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)SC(C(C)=O)=C(C)N2Cc1ccccc1,C59121841_decoy,ITAL,Decoy,0,-7.72548,-4.11,,99.0
C[C@H](c1cccs1)N1C(=O)c2cccc(N3CCN(Cc4cccc(F)c4)CC3)c2C1=O,C15004455_decoy,ITAL,Decoy,0,-8.82855,-8.62,,99.0
C[C@H]1CN(C[C@@H]2CCCN2C(=O)COc2cc(Cl)c(Cl)cc2Cl)C[C@H](C)O1,C60127924_decoy,ITAL,Decoy,0,-8.49447,-7.33,-2.57,-7.717201258078929
C#CCn1/c(=N/C(=O)c2cccc(SC(C)C)c2)sc2cc(S(C)(=O)=O)ccc21,C12309171_decoy,ITAL,Decoy,0,-9.13575,-7.02,-2.48,-7.464912308943699
Fc1ccccc1[C@@H]1C2=Nc3ccccc3[C@@H]2CCN1Cc1cnc(N2CCOCC2)s1,C19641963_decoy,ITAL,Decoy,0,-9.3244,-10.47,-1.34,-11.155733254400618
Cc1c(S(=O)(=O)N2CCc3ccccc32)cc(-c2nc(-c3ccccc3)cs2)n1C,C64668062_decoy,ITAL,Decoy,0,-9.1272,-9.93,-2.77,-8.89533726316822
CC(=O)Oc1ccc(Br)cc1/C=C1\SC(N(C(C)=O)c2ccc(C)c(C)c2)=NC1=O,C01133978_decoy,ITAL,Decoy,0,-8.69232,-8.9,-1.91,-8.091133705713847
CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N2CC=C(c3ccc(F)cc3)CC2)cc1,C00922844_decoy,ITAL,Decoy,0,-7.85958,-6.86,-3.17,-6.212296235720473
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OS(=O)(=O)c1ccccc1,C02959412_decoy,ITAL,Decoy,0,-6.78489,-7.55,-4.23,-7.053738299134058
CC[C@H]1SC2=NC(C)=C(C(=O)OCCOC)[C@@H](c3ccc(I)cc3)N2C1=O,C02250232_decoy,ITAL,Decoy,0,-8.80121,-6.98,-2.55,-8.177583574132758
CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc12,C09622400_decoy,ITAL,Decoy,0,-8.37304,-9.05,-2.38,-9.581099705394104
Cc1cc2nc(N(Cc3ccccn3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2cc1C,C09624431_decoy,ITAL,Decoy,0,-8.4955,-4.93,-4.11,-5.661248693751058
C[C@@H]1CCc2c(sc3nc(SCC(=O)N(C)Cc4ccccc4)n(C[C@H]4CCCO4)c(=O)c23)C1,C10439388_decoy,ITAL,Decoy,0,-10.0078,-7.26,-3.99,-8.379572938215613
Cc1cc(C)c2sc(N(Cc3cccnc3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc2c1,C10020596_decoy,ITAL,Decoy,0,-8.89026,-8.75,,99.0
Cc1c(Cl)ccc2sc(N(Cc3cccnc3)C(=O)CS(=O)(=O)Cc3ccccc3)nc12,C10620090_decoy,ITAL,Decoy,0,-8.93218,-7.97,-3.09,-9.300933438607109
CCS(=O)(=O)c1ccccc1C(=O)N(Cc1cccnc1)c1nc2ccc(SC)cc2s1,C10528886_decoy,ITAL,Decoy,0,-9.05409,-4.54,-2.47,-5.553360731691543
CSc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)sc2c1,C10832548_decoy,ITAL,Decoy,0,-8.12051,-5.96,-2.29,-6.358765820786774
CSc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)sc2c1,C10834527_decoy,ITAL,Decoy,0,-8.65801,-5.34,-4.03,-6.499910610973789
CCS(=O)(=O)c1ccc(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Br)cc3s2)cc1,C11139362_decoy,ITAL,Decoy,0,-10.7284,-8.22,-1.43,-10.32945414340818
Cc1cc(C)c2sc(N(C[C@H]3CCCO3)C(=O)CCS(=O)(=O)c3ccc(Cl)cc3)nc2c1,C11141583_decoy,ITAL,Decoy,0,-9.5867,-9.07,-3.9,-9.777249088573743
CCOCCn1/c(=N/C(=O)Cc2ccc(S(C)(=O)=O)cc2)sc2cc(Br)ccc21,C12313678_decoy,ITAL,Decoy,0,-9.79689,-7.88,-2.54,-10.38175643568242
O=C(CSc1nc2c(n1-c1ccccc1)CCCC2)N(c1ccccc1)[C@@H]1CCS(=O)(=O)C1,C12627266_decoy,ITAL,Decoy,0,-8.70634,-5.06,-2.16,-6.110692820382879
CCN(Cc1ccc(Br)s1)C(=O)CSc1ncnc2c1cnn2-c1ccccc1,C12806134_decoy,ITAL,Decoy,0,-8.35864,-6.6,-2.3,-6.67820171909132
Cc1cc(C(=O)COC(=O)C2(c3cccc(Cl)c3)CCCCC2)c(C)n1[C@H]1CCS(=O)(=O)C1,C12929360_decoy,ITAL,Decoy,0,-8.61353,-8.8,-1.06,-12.645036732431835
O=C(OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1)c1ccc(S(=O)(=O)C(F)F)cc1,C13016960_decoy,ITAL,Decoy,0,-7.8811,-9.63,-2.77,-9.509296065909767
CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)C3C[C@H]4CCC[C@@H](C3)C43SCCS3)ccc21,C13027403_decoy,ITAL,Decoy,0,-8.22062,-7.3,-2.57,-6.56561594009019
COc1ccc(Br)cc1-c1nc(COC(=O)c2cc(S(C)(=O)=O)ccc2C)cs1,C10405422_decoy,ITAL,Decoy,0,-9.16915,-7.96,-2.25,-8.216773764873677
COc1cc(OC)cc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2c2ccc(F)cc2)C2CC2)c1,C16504835_decoy,ITAL,Decoy,0,-8.36843,-8.52,-1.88,-11.204409502227326
O=C(c1ccc(F)cc1)[C@H](C(=O)N1CCN(C(c2ccccc2)c2ccccc2)CC1)n1ccccc1=O,C19823335_decoy,ITAL,Decoy,0,-8.51016,-8.74,-3.63,-8.002315987350423
O=C(CSc1nc2ccccc2n1-c1ccccc1)N(Cc1cccs1)[C@@H]1CCS(=O)(=O)C1,C20036624_decoy,ITAL,Decoy,0,-9.27131,-4.52,-3.93,-5.625445292968994
O=S(=O)(c1ccc2c(c1)nc(SCc1ccc(F)cc1F)n2C[C@H]1CCCO1)N1CCCC1,C23457793_decoy,ITAL,Decoy,0,-8.99353,-7.66,-1.84,-7.8250317587905505
Cc1nc(C)c(-c2nnc(SCC(=O)N3c4ccccc4SC[C@@H]3c3ccccc3)o2)s1,C25588200_decoy,ITAL,Decoy,0,-8.21581,-4.62,-2.68,-5.112837661172072
CC(C)Oc1ccc(C(=O)N(Cc2ccc(-c3ccc(Cl)cc3)o2)[C@@H]2CCS(=O)(=O)C2)cc1,C27662920_decoy,ITAL,Decoy,0,-8.36784,-8.57,,99.0
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c1,C33447123_decoy,ITAL,Decoy,0,-10.5,-7.98,-3.27,-8.808582454562428
N#CCCN(Cc1cccnc1)C(=O)c1cc(-c2ccccc2F)nn1-c1ccc(Cl)c(Cl)c1,C33524751_decoy,ITAL,Decoy,0,-10.1837,-5.59,-3.2,-6.498181535637665
CC[C@H](c1nc2ccccc2c(=O)n1C)N(Cc1ccco1)C(=O)c1cccc(Br)c1,C35008409_decoy,ITAL,Decoy,0,-8.58998,-8.44,-2.07,-8.658735958424272
CCn1c([C@H](C)N(CCOC)C(=O)c2ccc(Cl)cc2Cl)nc2ccc(Cl)cc2c1=O,C35031966_decoy,ITAL,Decoy,0,-9.20265,-7.7,-2.2,-8.386596019830257
COc1cccc([C@H]2c3cccn3CCN2C(=O)CN(C(=O)c2ccccc2Cl)C(C)(C)C)c1,C35594810_decoy,ITAL,Decoy,0,-7.05282,-8.14,-2.6,-8.724501166981756
COc1ccc(-n2cc(C(=O)N(Cc3ccco3)[C@@H]3CCC[C@@H](C)[C@H]3C)c3ccccc3c2=O)cc1,C36139303_decoy,ITAL,Decoy,0,-7.40481,-4.96,-3.21,-5.37836314689811
CCn1c(SCC(=O)N(CCC#N)c2ccccc2F)nc2sc3c(c2c1=O)CC[C@@H](C)C3,C36773217_decoy,ITAL,Decoy,0,-8.34797,-6.79,-1.61,-7.100364744631814
CCN(C)C(=O)c1csc(COc2ccc3c(c2)[C@@H](c2ccc(C)cc2)N(C(=O)C2CC2)CC3)n1,C37603726_decoy,ITAL,Decoy,0,-9.69616,-9.85,-4.16,-10.499782578740154
CS[C@@H]1CCC[C@]2(CCC[C@H](S(=O)(=O)c3ccccc3)C2)N1S(=O)(=O)Oc1ccccc1,C39527127_decoy,ITAL,Decoy,0,-9.51902,-9.39,-3.48,-13.783253800419734
Cc1ccc(C)c(C(=O)COC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)c1,C00842912_decoy,ITAL,Decoy,0,-8.37417,-8.88,-3.02,-7.330849435027009
CCCn1c(N2CCCC2)c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O,C39769840_decoy,ITAL,Decoy,0,-8.83663,-4.11,-2.67,-5.437133847950547
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1OC,C39825529_decoy,ITAL,Decoy,0,-7.18075,-8.89,-2.4,-7.886052133475113
CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1OCC,C39825742_decoy,ITAL,Decoy,0,-8.94751,-6.11,-1.75,-7.788737673219064
COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)SC1=S,C40022217_decoy,ITAL,Decoy,0,-9.17323,-6.52,-3.46,-7.262835889421846
COc1ccc2c(-c3ccccc3)cc(SCC(=O)N(C3CC3)[C@@H]3CCS(=O)(=O)C3)nc2c1,C17664785_decoy,ITAL,Decoy,0,-9.80768,-9.35,-2.05,-10.91859170372477
CCCCN(C)C(=O)Cn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21,C40252740_decoy,ITAL,Decoy,0,-9.17277,-9.0,-2.92,-9.757334902466036
COc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(C2CC2)S(=O)(=O)c2ccc(F)cc2)cc1,C40371646_decoy,ITAL,Decoy,0,-10.0488,-8.43,-3.73,-12.84329698750359
O=C(CCc1ncc(-c2ccccc2)o1)N(Cc1ccc(Cl)cc1Cl)[C@H]1CCS(=O)(=O)C1,C41019986_decoy,ITAL,Decoy,0,-9.21373,-9.15,-2.71,-9.376004885875314
CN(CCOc1ccc(F)cc1)C(=O)c1ccc(Cl)c(S(=O)(=O)N2CCc3ccccc32)c1,C45582026_decoy,ITAL,Decoy,0,-7.91146,-5.32,-3.88,-5.387061601815452
Cc1cc(C)cc(OCCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1,C46567662_decoy,ITAL,Decoy,0,-8.97732,-6.23,-2.2,-8.835780171657635
O=C(CCCn1cnc(-c2ccc(F)cc2)cc1=O)N1CCN(c2ccc(Cl)c(Cl)c2)CC1,C49427715_decoy,ITAL,Decoy,0,-8.8672,-8.02,-1.97,-6.829234182384416
Cc1cc(C(=O)CN2CCN(S(=O)(=O)c3ccc(Cl)c(Cl)c3)CC2)c(C)n1C1CCCC1,C62693859_decoy,ITAL,Decoy,0,-8.97097,-7.23,-3.89,-6.841062771065817
Cc1cc(C)c(S(=O)(=O)N2CCN(CC(=O)c3cc(C)n(-c4ccccc4)c3C)CC2)c(C)c1,C62694347_decoy,ITAL,Decoy,0,-7.59092,-8.9,-2.25,-9.955325151378112
CCOc1ccc(NC(=O)[C@H]2CC2(c2ccc(CC)cc2)c2ccc(CC)cc2)cc1,C02308411_decoy,ITAL,Decoy,0,-8.04602,-4.2,-3.2,-5.392009499132983
CCCCN1CCCc2cc(CN(C(=S)Nc3cccc(C)c3C)[C@@H](C)CC)ccc21,C03585595_decoy,ITAL,Decoy,0,-9.21491,-8.01,-2.13,-10.241058190321036
CCOc1cc(CNc2ccc(C)cc2C)cc(Cl)c1OCc1ccc(F)cc1,C04676937_decoy,ITAL,Decoy,0,-8.15149,-7.98,,99.0
S=C(/N=C(/NCc1ccccc1)c1ccccc1)N(c1ccccc1)c1ccccc1,C02314977_decoy,ITAL,Decoy,0,-9.57906,-8.7,-2.0,-9.378156472090083
C=CCOC(=O)/C(=C/C=C\c1ccccc1)NC(=O)c1ccc(Br)cc1,C05824272_decoy,ITAL,Decoy,0,-7.90619,-8.33,-1.95,-7.851341376547197
CCCC[C@H](CC)C(=O)Nc1ccc([C@H]2SCC(=O)N2c2cccc(C)c2C)cc1,C06705161_decoy,ITAL,Decoy,0,-7.81205,-8.23,-2.92,-7.633146268821583
O=C(CCc1cn(Cc2ccc(F)cc2)c2ccccc12)NCCCc1ccccc1,C06858191_decoy,ITAL,Decoy,0,-7.7648,-6.32,-2.04,-6.4702876693613005
COc1cc(/C=C2\S/C(=N\c3ccccc3)NC2=O)ccc1OC(=O)c1cccc([N+](=O)[O-])c1,C08398487_decoy,ITAL,Decoy,0,-7.41175,-7.89,-3.32,-8.717452580249374
CN(C)c1ccc(/C=C/C=N/Nc2nc(N3CCCCC3)nc(N3CCCCC3)n2)cc1,C01955041_decoy,ITAL,Decoy,0,-9.04434,-6.47,-1.05,-6.680171439234024
Cc1cc(Br)cc(C)c1OCC(=O)Nc1ccc(OCCC(C)C)cc1,C08561788_decoy,ITAL,Decoy,0,-8.23043,-7.68,-3.13,-9.721764877141498
CC[C@H](C)Oc1cccc(NC(=O)c2cc(Br)ccc2OCC(C)C)c1,C09270159_decoy,ITAL,Decoy,0,-7.90744,-7.89,-1.14,-10.797088910970077
COC(=O)c1c(NC(=O)CCCSc2ccc(C)cc2)sc2c1CC[C@H](C)C2,C09473855_decoy,ITAL,Decoy,0,-7.73559,-8.5,-3.42,-8.214137426639198
COc1ccc(SCCCC(=O)Nc2nc(-c3c(C)cc(C)cc3C)cs2)cc1,C09474292_decoy,ITAL,Decoy,0,-8.21589,-6.92,-1.74,-10.130354307729093
CCCCCCOc1cccc(NC(=O)c2ccc(C)c(I)c2)c1,C09696236_decoy,ITAL,Decoy,0,-8.01167,-7.92,,99.0
O=C(Nc1ccccc1OCCOc1ccccc1)c1ccc(-c2ccccc2)cc1,C09879578_decoy,ITAL,Decoy,0,-8.75106,-8.79,-3.1,-8.332353477775928
CCOc1ccccc1-c1nc(CC(=O)Nc2c(CC)ccc(Cl)c2CC)cs1,C12818565_decoy,ITAL,Decoy,0,-9.17557,-7.9,-3.61,-10.278583115058304
CCOc1ccccc1[C@H]1Nc2ccc(OCCOc3ccccc3)cc2[C@H]2C=CC[C@@H]21,C14545650_decoy,ITAL,Decoy,0,-8.31966,-9.06,-1.66,-12.148064439630106
Cc1ccc(C)c(CSCCSc2nc(C)c(Cc3ccccc3)c(=O)[nH]2)c1,C16854790_decoy,ITAL,Decoy,0,-8.08397,-7.47,-2.84,-6.939534847056775
CCCc1cc(C(=O)N/N=C/c2cc(Cl)ccc2OCc2ccc(C)cc2)cs1,C17095215_decoy,ITAL,Decoy,0,-8.52475,-8.89,-1.56,-13.41621898525633
CCOC(=O)c1c(NC(=O)CCc2ccc(C)cc2)sc2c1CC[C@@H](C(C)(C)C)C2,C20158891_decoy,ITAL,Decoy,0,-8.68044,-6.44,-2.41,-7.881749903825075
Fc1ccc(CN(C(=S)Nc2ccc(Oc3ccccc3)cc2)C2CCCCC2)cc1,C03036255_decoy,ITAL,Decoy,0,-9.46336,-8.71,-0.9,-11.25208163013102
COc1ccc(/C(C)=N/NC(=O)C=C(Sc2ccccc2)Sc2ccccc2)cc1,C21328386_decoy,ITAL,Decoy,0,-8.82849,-8.32,-1.98,-11.441617552476748
CCCCOc1ccc([C@@](O)(c2ccc(C)cc2)[C@@H](CN(C)Cc2ccccc2)c2ccccc2)cc1,C27259983_decoy,ITAL,Decoy,0,-9.4388,-9.41,-3.38,-10.304295882516628
Cc1cccc(CSc2ncc(CO)n2CCC(c2ccccc2)c2ccccc2)c1,C35520984_decoy,ITAL,Decoy,0,-8.35061,-8.82,-2.32,-9.88098211114625
CCCCCCNC(=O)C[C@H](c1ccsc1)c1cn(Cc2ccccc2)c2ccccc12,C35806074_decoy,ITAL,Decoy,0,-9.81883,-8.98,-1.42,-10.773444828716752
CC(C)[C@H]1CC[C@@H](C)C[C@H]1OP(=O)(O[C@@H]1C[C@@H](C)CC[C@H]1C(C)C)[C@H](O)C(C)C,C03864903_decoy,ITAL,Decoy,0,-7.65141,-6.41,-1.83,-8.755489583559905
C/C=C\[C@@H](C(=O)NC(C)(C)C)N(C(=O)/C(=C/c1ccccc1)c1ccccc1)C(C)(C)C,C36579294_decoy,ITAL,Decoy,0,-7.98218,-9.08,-4.06,-11.524601037996108
CC[C@H](C(=O)N([C@H](C(=O)NC(C)(C)C)c1ccc(C)cc1)C(C)(C)C)c1ccccc1,C36583347_decoy,ITAL,Decoy,0,-7.21498,-8.85,-2.81,-10.32349572706073
O=P(Oc1ccccc1)(Oc1ccccc1)[C@@H](Nc1ccccc1)c1ccccc1,C01715305_decoy,ITAL,Decoy,0,-7.96712,-8.67,-2.35,-9.625930530505332
Cc1cc2nc([C@H](O)c3ccccc3)n(CCCCOc3ccccc3C)c2cc1C,C40310569_decoy,ITAL,Decoy,0,-9.26906,-8.68,-3.32,-10.331818674634372
CCOc1cc(CNCCc2ccccc2)cc(Cl)c1OCc1cccc(Cl)c1,C40742227_decoy,ITAL,Decoy,0,-8.12927,-7.91,-3.76,-10.612900893624984
CC(C)c1ccc(NC(=O)CCCOc2ccc(C(C)C)cc2Br)cc1,C40948517_decoy,ITAL,Decoy,0,-7.01035,-8.54,-2.02,-7.126383334288184
COc1ccc(C)cc1NC(=O)CCCOc1ccc(C(C)C)cc1Br,C40948639_decoy,ITAL,Decoy,0,-7.42406,-9.05,-1.38,-8.020145887791827
Cc1ccsc1/C=N/NC(=O)CCCOc1ccc(C(C)(C)C)cc1Br,C40959263_decoy,ITAL,Decoy,0,-7.60639,-6.9,-2.26,-5.162551204043943
Cc1ccc(NC(=O)c2ccc(OC(=O)CCc3ccc(C(C)C)cc3)cc2)c(C)c1,C40996230_decoy,ITAL,Decoy,0,-7.84183,-7.15,-1.89,-6.576334193964811
Cc1ccc(SCCC(=O)Nc2cccc(C(=O)c3ccc(C(C)(C)C)cc3)c2)cc1,C44849716_decoy,ITAL,Decoy,0,-8.00622,-7.77,-2.49,-6.975767490377243
Cc1cc(SCCOC(=O)c2ccc(F)cc2)ccc1NC(=O)c1ccccc1,C57318267_decoy,ITAL,Decoy,0,-7.75687,-7.43,-3.73,-6.946669848970712
CCCn1c(CCc2ccccc2NC(=O)Cc2ccc(F)cc2)nc2ccccc21,C33019746_decoy,ITAL,Decoy,0,-7.96721,-8.66,-2.7,-8.80160640003286
S=C(Nc1ccccc1)c1ccc(/N=C/c2ccc(OCc3ccc(Cl)cc3)cc2)cc1,C20246889_decoy,ITAL,Decoy,0,-9.16293,-6.92,-4.18,-7.549584065184781
CCOc1cc(CNc2cccc(C(F)(F)F)c2)ccc1OCc1ccc(Cl)cc1,C59056587_decoy,ITAL,Decoy,0,-7.0337,-8.29,-2.92,-8.297959657729383
CCc1ccc(NC(=S)N(Cc2ccc(C(C)(C)C)cc2)C[C@H]2CCCO2)cc1,C06366632_decoy,ITAL,Decoy,0,-9.24429,-8.39,-1.6,-8.332620794902411
COc1ccc(CN(C[C@H]2CC=CCC2)C(=S)Nc2ccc(Cl)cc2C)cc1,C06477649_decoy,ITAL,Decoy,0,-9.50345,-8.98,-2.61,-9.32199035699015
COc1ccc(CN(C[C@@H]2CC=CCC2)C(=S)Nc2ccc(Cl)c(C)c2)cc1,C06477433_decoy,ITAL,Decoy,0,-9.15444,-8.86,-1.99,-8.695230877903462
CCc1ccc(CN(C[C@H]2CCCO2)C(=S)Nc2cccc(Cl)c2Cl)cc1,C59094937_decoy,ITAL,Decoy,0,-10.096,-8.01,-2.72,-13.519269661878528
COc1ccc(NC(=S)N(Cc2ccc(C(C)C)cc2)[C@H](C)c2ccccc2)cc1,C05944938_decoy,ITAL,Decoy,0,-8.54085,-8.55,-1.12,-9.059975409088976
COc1ccccc1CN(C(=S)Nc1c(C)cccc1C(C)C)[C@@H](C)c1ccccc1,C59107605_decoy,ITAL,Decoy,0,-8.98672,-7.81,-4.71,-9.791858499360616
C=CCOc1ccccc1/C=N/Nc1nc(-c2ccccc2)c(-c2ccccc2)s1,C59475155_decoy,ITAL,Decoy,0,-8.77476,-8.92,-2.74,-11.201436153049272
CC[NH+](CC)c1ccc(/C=C2\Oc3c(ccc(OC/C=C/c4ccccc4)c3C)C2=O)cc1,C62942297_decoy,ITAL,Decoy,0,-8.22557,-6.19,-3.46,-6.925065773148446
CC[NH+](CC)c1ccc(/C=C2\Oc3cc(OC/C=C/c4ccccc4)ccc3C2=O)cc1,C62942299_decoy,ITAL,Decoy,0,-8.51697,-7.8,-3.97,-8.46333866055615
CCN1C(=O)c2ccccc2N[C@@]1(CC)c1ccc(OCCCc2ccccc2)cc1,C66133556_decoy,ITAL,Decoy,0,-8.11665,-8.95,-1.96,-8.403750650976686
COc1ccc(N(CC(=O)Nc2ccc(Br)cc2)S(=O)(=O)c2ccccc2)c(OC)c1,C01056759_decoy,ITAL,Decoy,0,-8.18268,-8.0,-2.33,-8.366059156869579
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)[C@@H]1CCCN1S(=O)(=O)c1ccc(C)cc1,C03170036_decoy,ITAL,Decoy,0,-7.97328,-8.0,-3.08,-7.501119720173762
CCOC(=O)c1ccc(NC(=O)CSc2nnc(-c3ccccc3Br)n2C)cc1,C00915462_decoy,ITAL,Decoy,0,-7.30881,-7.85,-3.33,-8.494135865203985
CCCOc1ccc([C@@H]2CN3C(=O)CN([C@@H](C)CC)C(=O)[C@]3(C)c3[nH]c4ccccc4c32)cc1OCC,C08789900_decoy,ITAL,Decoy,0,-9.72996,-5.75,-2.32,-6.218191832984549
Cc1cccc(NC(=O)[C@H](C)n2cnc3sc(C(=O)OCCc4ccccc4)c(C)c3c2=O)c1C,C08895993_decoy,ITAL,Decoy,0,-8.5431,-7.44,-2.55,-6.90548586925579
Cc1ccc(NC(=O)CN(C)C(=O)CSc2nnc(-c3ccccc3)n2-c2ccc(F)cc2)cc1,C03445416_decoy,ITAL,Decoy,0,-8.97867,-9.83,-2.16,-12.063789451332774
Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)c2c[nH]c(C(=O)N3CCCC3)c2)c(C)c1,C09378825_decoy,ITAL,Decoy,0,-9.39585,-9.37,-2.23,-10.427468034476894
CCCCn1c(SCC(=O)Nc2cccc(C)c2C)nc2cc(S(=O)(=O)N(C)C)ccc21,C10016664_decoy,ITAL,Decoy,0,-7.87992,-5.65,-2.59,-5.740448863217996
CCCOc1ccc(-c2csc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(Cl)s3)n2)cc1,C12465987_decoy,ITAL,Decoy,0,-9.04352,-6.58,-2.45,-8.344210416434382
CCOc1ccc([C@H](C(=O)Nc2ccc(F)cc2)N(C(=O)c2cnccn2)c2cccc(C)c2)cc1,C01333177_decoy,ITAL,Decoy,0,-8.81648,-8.53,-4.38,-9.302839814484974
CCOC(=O)c1c(NC(=O)c2ccc(-c3ccc(Br)cc3)o2)sc(C(=O)OC)c1C,C13844324_decoy,ITAL,Decoy,0,-8.62865,-6.95,-3.18,-7.075860260075442
CCOc1ccc(-c2ccc(=O)n(CCNS(=O)(=O)c3ccc(-c4ccccc4)cc3)n2)cc1,C09844796_decoy,ITAL,Decoy,0,-7.10557,-6.05,-2.84,-5.154062171193751
CCn1c(SCC(=O)Nc2sc3c(c2C#N)CC[C@H](C(C)(C)CC)C3)nnc1-c1ccncc1,C14110560_decoy,ITAL,Decoy,0,-8.60029,-7.42,-3.29,-9.467945394217791
Cc1sc(NC(=O)CCc2nc(-c3ccc(F)cc3)no2)nc1-c1ccc(OC(F)F)cc1,C10956471_decoy,ITAL,Decoy,0,-7.68043,-7.65,-4.09,-6.571221246549193
CCOc1ccc(Oc2ccccc2NC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)cc1,C14794146_decoy,ITAL,Decoy,0,-8.52674,-5.78,-3.71,-5.936584450674666
CCOc1ccc(S(=O)(=O)NCCc2sc3nc(-c4ccc(Cl)cc4)nn3c2C)cc1,C15823635_decoy,ITAL,Decoy,0,-7.46603,-7.75,-2.55,-5.798338908980546
CCCOc1ccc([C@H]2CN3C(=O)CN([C@@H](C)CC)C(=O)[C@@]3(C)c3[nH]c4ccccc4c32)cc1OCC,C02138853_decoy,ITAL,Decoy,0,-7.94535,-5.7,,99.0
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)NC3=C2C(=O)C[C@@H](c2ccccc2)C3)ccc1OC(C)=O,C00853856_decoy,ITAL,Decoy,0,-7.18474,-5.54,-3.47,-6.360733463603776
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OCc1ccc(OC)cc1)[C@@H]2c1cccs1,C04763755_decoy,ITAL,Decoy,0,-8.11008,-5.45,,99.0
C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(Cl)c([N+](=O)[O-])c1)N2,C20704334_decoy,ITAL,Decoy,0,-7.69423,-8.35,-1.64,-7.650857500399582
COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OCC(C)C)cc2)cc(OC)c1OC,C20881731_decoy,ITAL,Decoy,0,-8.88334,-4.5,-2.61,-6.197357257132416
CC(=O)NC1=NN(C(C)=O)[C@@H](c2ccc(OCCOc3ccc(C(C)C)cc3)c(Cl)c2)S1,C20896013_decoy,ITAL,Decoy,0,-7.72015,-6.37,-4.06,-6.08304130313994
CC[C@@H](C)Oc1ccc([C@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1,C21254370_decoy,ITAL,Decoy,0,-9.5798,-5.05,-2.83,-6.999353869464159
CCc1nc2sc([C@H](c3ccc(OC)c(OC)c3)[NH+]3CCC(Cc4ccccc4)CC3)c([O-])n2n1,C22853849_decoy,ITAL,Decoy,0,-9.00319,-7.86,-2.81,-7.593733501126021
CCOC(=O)c1cc(-c2cccc(NC(=O)c3ccc(OC)c(F)c3)c2)n(-c2ccc(F)cc2)n1,C25151942_decoy,ITAL,Decoy,0,-7.58467,-7.07,-2.44,-5.81498892402098
COc1ccc2c(C)c(CCC(=O)O[C@@H](C)C(=O)Nc3cc(Cl)ccc3Cl)c(=O)oc2c1,C26088552_decoy,ITAL,Decoy,0,-9.18039,-8.11,-2.0,-9.483709191438283
CCOC(=O)c1c(N/C=C2/C(=O)N(Cc3ccc(OC)cc3)C(=O)c3ccccc32)sc(C)c1C,C18046261_decoy,ITAL,Decoy,0,-8.8027,-7.6,-3.48,-7.21642255766598
COC(=O)COc1cc(-c2ccc(C)cc2)[nH+]c2ccc([N-]S(=O)(=O)c3cccc(F)c3)cc12,C33292717_decoy,ITAL,Decoy,0,-8.30567,-5.76,-3.33,-5.597113808658127
CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccc(C)cc1)C(=O)Nc1ccccc1OCC,C35127869_decoy,ITAL,Decoy,0,-7.1295,-7.96,-1.52,-7.400785148003792
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccccc2)C2CC2)cc1,C35673751_decoy,ITAL,Decoy,0,-8.32547,-7.7,-2.97,-7.563403862642675
CCN(CC(=O)Nc1nc(-c2ccc(OC)cc2)cn1-c1ccc(C)c(C)c1)C(=O)c1ccc(C)cc1,C35703518_decoy,ITAL,Decoy,0,-7.65698,-7.17,-3.06,-6.257427507981765
COC(=O)[C@H]1C(=O)C2=C(C[C@@H]1C)NC(C)=C(C(=O)OCc1ccc(OC)cc1)[C@H]2c1cccs1,C04763731_decoy,ITAL,Decoy,0,-8.10517,-6.73,-2.38,-7.694345974605612
COc1ccc(-c2cn(-c3ccc(F)cc3)/c(=N/C(=O)CN(CC(C)C)C(=O)c3ccccc3)[nH]2)cc1,C36051877_decoy,ITAL,Decoy,0,-7.57225,-6.49,-2.27,-6.426150718892028
CCCCCn1c(=O)n(CC(=O)Nc2ccc(OC)cc2)c(=O)c2c(-c3ccccc3)csc21,C37639324_decoy,ITAL,Decoy,0,-9.69342,-6.47,-1.76,-8.512596621679009
CCCCCn1c(=O)c2c(-c3ccccc3)csc2n(CC(=O)Nc2ccc(OC)cc2)c1=O,C37639822_decoy,ITAL,Decoy,0,-9.03986,-6.68,-2.27,-7.239116183732913
O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3Cl)N2C1=O)NCc1ccco1,C02967613_decoy,ITAL,Decoy,0,-8.35944,-6.96,-3.67,-6.959594579423484
COC(=O)C1=C([O-])[C@H](C(=O)OC)[C@@H](c2ccc(C)cc2)[NH+](C[C@@H]2CCCO2)[C@H]1c1ccc(C)cc1,C13058685_decoy,ITAL,Decoy,0,-8.34212,-3.96,-3.66,-5.459832935056275
CC(C)COc1ccc(S(=O)(=O)NCCc2csc3nc(-c4ccccc4F)nn23)cc1,C38668892_decoy,ITAL,Decoy,0,-9.25556,-7.85,-2.95,-10.474509751007329
COc1ccc(OC)c(-c2csc(NC(=O)c3csc(COc4ccc(Cl)cc4)n3)n2)c1,C40050444_decoy,ITAL,Decoy,0,-8.52444,-7.27,-1.65,-6.875606867411465
COc1cc(C(=O)NCc2nc3ccccc3n2Cc2c(C)c(C)cc(C)c2C)cc(OC)c1OC,C40279472_decoy,ITAL,Decoy,0,-9.10874,-6.71,-2.94,-7.150726713009713
C=CCNS(=O)(=O)c1ccc(C(=O)OCC(=O)N2c3ccccc3CCc3ccccc32)cc1,C45900682_decoy,ITAL,Decoy,0,-8.93124,-5.58,-1.85,-6.586017383743827
Cc1c(C(=O)NCc2ccc(OCc3ccccc3)cc2)nnn1-c1nc(-c2ccccc2)cs1,C56935048_decoy,ITAL,Decoy,0,-9.20505,-9.29,-3.16,-8.102587186679223
Cc1ccc2cc(CN(Cc3ccccc3)[C@@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1,C13498518_decoy,ITAL,Decoy,0,-9.48319,-9.95,-2.48,-12.907547951311663
Cc1ccc2cc(CN(Cc3cccs3)[C@H](c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1,C13498523_decoy,ITAL,Decoy,0,-9.54533,-8.43,-2.16,-9.400045076123678
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)[C@H](c3nnnn3C(C)(C)C)C(C)C)cc12,C13499167_decoy,ITAL,Decoy,0,-9.23909,-9.4,-2.61,-9.523148991805204
Cc1ccc(CN(Cc2cc3cccc(C)c3[nH]c2=O)[C@H](c2nnnn2C2CCCC2)C(C)C)cc1,C13500334_decoy,ITAL,Decoy,0,-8.26618,-9.39,-1.58,-9.436309523751676
COC(=O)Cc1c(C(=O)OC)sc2nc(CSc3cc(C(C)(C)C)ccc3C)[nH]c(=O)c12,C17285422_decoy,ITAL,Decoy,0,-8.83882,-7.55,-1.98,-7.689501447167046
Cc1ccc(-c2csc(NC(=O)CSc3nnc(COc4cc(C)ccc4C)n3C)n2)cc1,C14116968_decoy,ITAL,Decoy,0,-7.50751,-8.58,-2.35,-6.704710137028183
CCOc1ccc(NC(=O)c2sc(-c3ccccc3)cc2OCC)cc1S(=O)(=O)N(C)C,C59299543_decoy,ITAL,Decoy,0,-8.3645,-6.75,-1.9,-6.9519815806480105
CCOc1ccc(C2=NC3=NN=C(c4ccccc4)[C@H]3C(C(=O)NCc3ccc(OC)cc3)=C2)cc1,C33085608_decoy,ITAL,Decoy,0,-7.96985,-6.12,-2.52,-5.972166100148398
CCc1ccccc1NC(=S)N(CCC[NH+]1CCC[C@@H](C)C1)Cc1cccs1,C03665544_decoy,ITAL,Decoy,0,-9.35238,-7.59,-2.89,-11.139600431898945
C[NH+](C)CCCNC(=O)c1cc(-c2ccc(Br)s2)nc2ccccc12,C02460388_decoy,ITAL,Decoy,0,-8.28918,-5.3,-1.59,-7.4117018509448656
FC(F)(F)c1c[nH+]c(NCCn2cnc3cc(C(F)(F)F)ccc32)c(Cl)c1,C03104291_decoy,ITAL,Decoy,0,-6.99927,-9.26,-2.55,-8.240500096208388
CCc1ccccc1NC(=S)N(CCC[NH+]1CCC(C)CC1)Cc1cccs1,C03665540_decoy,ITAL,Decoy,0,-9.986,-7.56,-2.42,-11.533144817588564
C[NH+](CC(=O)Nc1sc2c(c1C#N)CCC2)C(c1ccccc1)c1ccccc1,C07624366_decoy,ITAL,Decoy,0,-8.5002,-9.51,-1.88,-10.026771337202538
CCOc1cc(C[NH2+][C@@H](C)CC)cc(Br)c1OCc1ccccc1F,C08326647_decoy,ITAL,Decoy,0,-7.91894,-7.28,-3.25,-8.905479068719863
COc1cc(C[NH2+]Cc2ccc(F)cc2)cc(Cl)c1OCc1ccccc1F,C08470501_decoy,ITAL,Decoy,0,-7.73922,-5.64,-3.07,-5.242376379588241
COc1ccccc1[C@H](C)[NH2+]Cc1cn(-c2ccccc2)nc1-c1ccc(C)cc1,C08775403_decoy,ITAL,Decoy,0,-8.69987,-6.03,-3.3,-6.083082718500846
CCC[C@H]([NH2+]Cc1cc(Br)c(OCC)c(OCC)c1)c1ccccc1,C10436092_decoy,ITAL,Decoy,0,-7.13002,-6.61,-1.96,-6.753958927633183
Cc1ccc(S(=O)(=O)NC[C@@H](c2cccc3ccccc23)[NH+]2CCCC2)s1,C10507918_decoy,ITAL,Decoy,0,-8.81947,-4.61,-2.0,-5.561878701648907
COc1ccc(Cl)cc1NC(=O)CC[C@H]1CCC[NH+](Cc2ccc(C)s2)C1,C11765525_decoy,ITAL,Decoy,0,-8.50933,-7.04,-2.75,-8.35488046181107
O=C(NCC1(c2ccccc2)CCCC1)[C@@H]1CC12CC[NH+](Cc1ccsc1)CC2,C12004815_decoy,ITAL,Decoy,0,-8.71817,-7.8,-1.48,-8.157985105771983
COc1cccc(-c2ccccc2NC(=O)C2CC[NH+](C[C@@H]3CC=CCC3)CC2)c1,C12479543_decoy,ITAL,Decoy,0,-8.51582,-9.07,-1.58,-9.642271728728238
CCOc1ccccc1C[NH+]1CCC[C@@H](c2[nH]ncc2-c2ccc(F)c(F)c2)C1,C12151118_decoy,ITAL,Decoy,0,-7.56037,-5.04,-1.67,-5.080549348341735
Cc1ccc([C@@H](C)Nc2cccn([C@@H](C[NH+]3CCCC3)c3ccccc3)c2=O)cc1,C13488457_decoy,ITAL,Decoy,0,-8.09061,-8.73,-1.64,-8.14162687090681
COCCC[NH2+]Cc1ccc(-c2ccc(I)cc2Cl)o1,C13722648_decoy,ITAL,Decoy,0,-7.9313,-5.77,-2.49,-8.790862281998109
COc1cccc(C[NH2+]Cc2c(C)nn(Cc3c(Cl)cccc3Cl)c2C)c1,C17311933_decoy,ITAL,Decoy,0,-8.07767,-7.48,-2.2,-9.384744906789598
Cc1c([C@@H](C)NC2CC[NH+](Cc3ccccc3)CC2)cnn1-c1ccc(F)cc1F,C14966867_decoy,ITAL,Decoy,0,-6.71026,-7.17,-1.46,-5.642515553300755
COc1cc(CN[C@@H]2C[NH+]3CCC2CC3)ccc1OCc1ccc(F)cc1Cl,C20477239_decoy,ITAL,Decoy,0,-7.72102,-7.62,-1.23,-9.997855112384634
Brc1cc(CN[C@H]2C[NH+]3CCC2CC3)ccc1OCc1ccccc1,C20477540_decoy,ITAL,Decoy,0,-7.55753,-4.69,,99.0
CCCOc1c(C[NH2+][C@H](CCC)c2ccccc2)cc(Br)cc1OC,C20934389_decoy,ITAL,Decoy,0,-6.99922,-6.69,-2.55,-7.108821689118814
CCN(CC)CC[NH2+]Cc1cc(Br)ccc1OCc1ccccc1F,C22075580_decoy,ITAL,Decoy,0,-9.02966,-8.18,-2.02,-10.66487352905438
C=CC[NH+](CC(=O)Nc1ccc(Br)cn1)Cc1ccc(Cl)s1,C29054918_decoy,ITAL,Decoy,0,-9.02953,-6.95,-2.13,-9.285449837885016
CC(C)Oc1ccc(NC(=O)[C@H]2CCC[NH+](Cc3cccc4ccccc34)C2)cc1,C30940283_decoy,ITAL,Decoy,0,-7.26629,-9.58,-1.33,-10.832138417578197
Cc1ccccc1C[NH+]1CCC[C@H](C(=O)Nc2ccccc2Oc2ccccc2)C1,C30941345_decoy,ITAL,Decoy,0,-7.58951,-9.17,-2.92,-7.884468891233836
O=C(Nc1ccccc1Oc1ccccc1)[C@H]1CCC[NH+](Cc2ccccc2F)C1,C30941393_decoy,ITAL,Decoy,0,-8.22231,-9.4,-1.55,-8.513066051868082
C[NH+](C)[C@H](CNS(=O)(=O)c1ccccc1-c1ccccc1)c1cccc(F)c1,C32759006_decoy,ITAL,Decoy,0,-8.80496,-4.55,-3.16,-5.647385791472147
CCOc1c(Br)cc(C[NH2+][C@H](C)[C@H]2CCCO2)cc1Br,C35273771_decoy,ITAL,Decoy,0,-7.80997,-6.14,-1.78,-10.142687561103628
CCC[NH+](CCC)CC(=O)Nc1c(Br)cc(C)cc1Br,C36744596_decoy,ITAL,Decoy,0,-8.26902,-8.16,-1.68,-12.019555310001936
CCOc1c(Br)cc(Br)cc1C[NH2+][C@H](C)[C@@H]1CCCO1,C37242407_decoy,ITAL,Decoy,0,-8.19599,-7.05,-0.17,-9.590077992930656
CCC[NH2+][C@@H](c1ccc(Br)o1)c1ccc(OC)cc1Br,C37445558_decoy,ITAL,Decoy,0,-8.02726,-7.0,-0.62,-8.451265451314839
COc1ccc(F)c(C[NH+]2CCC(CO)(Cc3cccc(C(F)(F)F)c3)CC2)c1,C12575094_decoy,ITAL,Decoy,0,-7.77081,-9.03,-1.52,-8.189427398625652
CCOCCC[NH2+]Cc1cc(Br)ccc1OCc1ccc(F)cc1Cl,C40739563_decoy,ITAL,Decoy,0,-9.36775,-7.63,-3.76,-12.074439237877009
CCOCCC[NH2+]Cc1cc(Br)ccc1OCc1c(F)cccc1Cl,C40739671_decoy,ITAL,Decoy,0,-10.0158,-8.02,-3.64,-12.8335557537544
CCN(CC)C(=O)CC[NH2+][C@H](C)c1ccc(Br)cc1Br,C41653421_decoy,ITAL,Decoy,0,-8.20464,-7.01,-2.15,-9.899010118175026
Cc1ccc(OCCNC(=O)[C@H]2CCC[NH+](Cc3cccc4ccccc34)C2)cc1,C44908991_decoy,ITAL,Decoy,0,-8.09453,-9.76,-1.41,-9.864020590931998
O=C(NC[C@@H](c1ccccc1)[NH+]1CCCC1)C1(c2ccc(Br)cc2)CC1,C46917386_decoy,ITAL,Decoy,0,-8.73326,-7.18,-1.49,-9.016465594252098
COc1c(Br)cc(C[NH2+]CCN2CCCCC2)cc1Br,C48068263_decoy,ITAL,Decoy,0,-7.60863,-5.13,-0.56,-6.454300570214088
CN(CCC[NH2+]Cc1sc(Sc2ccccc2)nc1Cl)CC(F)(F)F,C48260480_decoy,ITAL,Decoy,0,-9.29229,-6.89,-2.24,-10.451611471634047
CCC(CC)[NH+](CCO)CC(=O)c1cc(Br)sc1Br,C50151765_decoy,ITAL,Decoy,0,-8.45758,-5.2,-1.24,-8.703274072984486
CCOc1c(Br)cc(Br)cc1C[NH2+][C@@H]1CCC[C@@H]1OC,C50371349_decoy,ITAL,Decoy,0,-8.4441,-7.0,-1.63,-9.36147717636193
C#CCn1cc(CN(Cc2ccccn2)C2CC(C)(C)[NH2+]C(C)(C)C2)c2ccccc21,C36740502_decoy,ITAL,Decoy,0,-9.04728,-8.89,-3.22,-11.39270848101455
Cc1nc(Cc2ccccc2)sc1C(=O)N[C@H]1CCC[NH+](Cc2ccccc2)C1,C31541063_decoy,ITAL,Decoy,0,-8.24168,-7.95,-3.15,-7.411149516930246
Cc1ccc(OCCC(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1C,C60331447_decoy,ITAL,Decoy,0,-6.29537,-6.98,-1.86,-4.667392002452488
Cc1c([C@H](C)[NH2+]Cc2csc(-c3ccsc3)n2)cnn1-c1ccc(F)cc1,C62260074_decoy,ITAL,Decoy,0,-8.82409,-7.13,-2.17,-9.273711780507384
Cc1csc(C[NH2+]Cc2c(C)nn(Cc3ccc(Cl)cc3Cl)c2Cl)n1,C42202836_decoy,ITAL,Decoy,0,-8.30981,-7.81,-2.04,-7.903113948330786
C=C(Br)COc1c(Br)cc(C[NH2+]C(C)(C)C)cc1OC,C62729721_decoy,ITAL,Decoy,0,-7.19464,-4.89,-2.07,-6.803504106888373
C[C@@H]1N=C(c2ccc(CCNC(=O)CCC3=c4ccccc4=[NH+]C3)s2)CS1,C64156497_decoy,ITAL,Decoy,0,-8.30107,-8.05,-3.07,-10.410748815041211
C[C@H](c1ccc(OC(F)(F)F)cc1)[NH+]1CCC(NC(=O)c2ccsc2)CC1,C64989548_decoy,ITAL,Decoy,0,-7.52276,-7.23,-2.54,-6.730198930244873
O=C(CC1CCCC1)NC1CC[NH+](Cc2csc(Cc3ccccc3)n2)CC1,C66877458_decoy,ITAL,Decoy,0,-9.01474,-7.84,-4.78,-8.825122549170096
C=Cn1ccnc1[C@@](O)(c1c(C)noc1N)C(F)(F)F,C09367008_decoy,ITAL,Decoy,0,-6.10304,-6.06,-1.65,-6.930800616936871
Cc1cc([N-]S(=O)(=O)c2ccc([C@@H](C)[NH3+])cc2)no1,C20010802_decoy,ITAL,Decoy,0,-7.01146,-7.52,-3.35,-8.541250498676964
Cc1cc([N-]S(=O)(=O)c2ccc([C@H](C)[NH3+])cc2)on1,C21507471_decoy,ITAL,Decoy,0,-7.14829,-7.12,-1.54,-8.783506685476999
C[C@@H]([NH3+])c1cccc(S(=O)(=O)[N-]c2nncs2)c1,C21520480_decoy,ITAL,Decoy,0,-7.34434,-7.22,-1.43,-7.263171877812228
Cc1ccc(C(=O)NCc2ccc(S(N)(=O)=O)s2)cn1,C22416109_decoy,ITAL,Decoy,0,-7.49964,-6.56,-1.92,-6.689103529741375
O=C1NC(=O)C(=CNC[C@H]2CC2(Cl)Cl)C(=O)N1,C23443562_decoy,ITAL,Decoy,0,-6.98979,-6.8,-1.63,-9.860935788017049
CS(=O)(=O)c1ccc(NCc2ccccn2)c(N)c1,C35329482_decoy,ITAL,Decoy,0,-7.25183,-6.33,-1.82,-8.096619388667769
C[C@@H](NS(=O)(=O)c1ccc(N)cc1C#N)[C@@H]1CCCO1,C35734409_decoy,ITAL,Decoy,0,-6.96978,-8.16,-1.23,-10.786678934383028
Cc1cc(N)ccc1S(=O)(=O)NC1CCS(=O)(=O)CC1,C36330901_decoy,ITAL,Decoy,0,-7.84648,-4.35,-1.67,-4.542119703231818
NC(=S)CNC(=O)C(=O)N1CCC[C@@H]2CCCC[C@H]21,C36827252_decoy,ITAL,Decoy,0,-6.50931,-6.82,-1.55,-7.853713853743408
NC(=O)CCNC(=O)c1cc(Br)cn1C1CC1,C36860607_decoy,ITAL,Decoy,0,-6.78385,-6.24,-1.57,-7.263498747230062
Nc1cc(C(=O)N[C@H]2CCS(=O)(=O)C2)n(C2CC2)c1,C36861679_decoy,ITAL,Decoy,0,-7.41351,-3.76,-2.02,-4.509413939284332
C[C@@](NC1CC1)(C(N)=O)c1ccc(S(C)(=O)=O)cc1,C37514602_decoy,ITAL,Decoy,0,-7.35144,-3.81,-3.94,-3.58068647503416
CCN(Cc1ccc(N)cc1)S(=O)(=O)c1cn[nH]c1,C37744381_decoy,ITAL,Decoy,0,-6.5046,-7.2,-2.1,-6.802650245085108
CS(=O)(=O)CCNS(=O)(=O)c1cccc(N)c1,C37750185_decoy,ITAL,Decoy,0,-6.27203,-6.33,-1.24,-8.630327989856525
Nc1ccc(OCC(=O)N[C@H]2CCS(=O)(=O)C2)cc1,C38055437_decoy,ITAL,Decoy,0,-6.83122,-5.41,-1.87,-5.354203615115084
Cc1cc(N)ccc1S(=O)(=O)NC[C@@H]1COCCO1,C38062523_decoy,ITAL,Decoy,0,-6.20066,-5.1,-1.54,-3.90921796749897
C[C@@H](NS(C)(=O)=O)c1cccc(S(N)(=O)=O)c1,C40215913_decoy,ITAL,Decoy,0,-7.45582,-6.33,-1.32,-7.413901537739274
NS(=O)(=O)CCNC(=O)c1ccc2ccccc2n1,C40223216_decoy,ITAL,Decoy,0,-8.16751,-7.19,-1.34,-8.229252863914718
Nc1cc(C(=O)N(CCO)[C@H]2CCS(=O)(=O)C2)ccc1F,C40324465_decoy,ITAL,Decoy,0,-7.80082,-6.61,-1.29,-8.793796403064022
N#Cc1cc(N)ccc1S(=O)(=O)NC[C@@H]1CCOC1,C40332646_decoy,ITAL,Decoy,0,-7.11066,-7.62,-1.44,-8.13568059275363
Cc1csc(CNS(=O)(=O)c2ccc(N)cc2)n1,C40348210_decoy,ITAL,Decoy,0,-7.29628,-5.76,-0.92,-5.685738458793911
CC(C)(C)[C@H](NC(=O)N[C@@H]1C[NH+]2CCC1CC2)C(=O)[O-],C40551281_decoy,ITAL,Decoy,0,-4.61416,-4.02,-1.99,-2.5533849379341693
Cc1nc(CNC(=O)COc2ccc(N)cc2)cs1,C41010211_decoy,ITAL,Decoy,0,-6.11886,-4.66,-1.87,-3.929442584738996
Nc1ccc(-n2ccc(C(=O)NCc3nccs3)n2)cc1,C41011470_decoy,ITAL,Decoy,0,-6.71078,-4.37,-2.76,-4.340540411213439
CC[C@H](C)NC(=O)CC[NH2+][C@]1(C(=O)[O-])CCC[C@H](C)C1,C41810614_decoy,ITAL,Decoy,0,-6.19315,-4.54,-1.41,-4.048155824529819
CS(=O)(=O)c1cc(N)cc(C(=O)Nc2cccnc2)c1,C42805203_decoy,ITAL,Decoy,0,-6.77195,-4.06,-1.64,-3.9021410510805534
Cc1ccc(/C(N)=N/O)c(Sc2nnc(C)s2)n1,C43401036_decoy,ITAL,Decoy,0,-6.51592,-6.86,-2.64,-6.664931003200877
Nc1cnn(C[C@H](O)CN2CCO[C@H]3CCCC[C@@H]32)c1,C43423993_decoy,ITAL,Decoy,0,-7.93145,-6.28,-2.21,-7.423138280492119
C[C@H](NC(=O)C1(C(N)=S)CCOCC1)[C@@H]1CCCO1,C44775970_decoy,ITAL,Decoy,0,-7.85197,-5.66,-1.2,-6.572417340826384
Cc1cc(N)cc(S(=O)(=O)N[C@@]2(C)CCS(=O)(=O)C2)c1,C44886810_decoy,ITAL,Decoy,0,-7.90327,-7.56,-1.09,-7.568297856756998
CC[C@H](C(=O)N[C@@]1(C)CCS(=O)(=O)C1)C(N)=S,C44933166_decoy,ITAL,Decoy,0,-6.69896,-5.92,-1.25,-6.250631159160487
CCN(C(=O)NC1(C(=O)[O-])CCCC1)C1CC[NH2+]CC1,C48842798_decoy,ITAL,Decoy,0,-5.81969,-5.8,-0.92,-6.277014560255097
CC(C)[C@@H](NC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)C(=O)[O-],C49571100_decoy,ITAL,Decoy,0,-5.22434,-4.97,-1.47,-3.744373278858789
CC(C)(C)[C@@H](NC(=O)N[C@H]1CC[NH+]2CCCC[C@H]12)C(=O)[O-],C49571126_decoy,ITAL,Decoy,0,-5.26427,-4.8,-2.47,-3.7300555468363217
CO[C@@H]1CCC[C@@H]1NC(=O)c1cc(N)cc(S(C)(=O)=O)c1,C50367623_decoy,ITAL,Decoy,0,-8.15623,-6.45,-1.8,-6.764579589750424
Cc1nn(CC[C@@](C)([NH3+])C(=O)[O-])c(C)c1Br,C50594877_decoy,ITAL,Decoy,0,-6.18668,-6.01,-1.22,-6.673982633501336
CCC[C@H](C(=O)NC[C@H]1CCS(=O)(=O)C1)C(N)=S,C50603080_decoy,ITAL,Decoy,0,-7.67267,-4.35,-1.5,-4.218118474957858
N#CCCN(C(=O)c1cc(Cl)nc(NN)c1)C1CC1,C51115109_decoy,ITAL,Decoy,0,-6.58914,-5.38,-0.54,-8.582026002946844
Cc1ccc(/C(N)=N/O)c(N(C)[C@H]2CCS(=O)(=O)C2)c1,C51579062_decoy,ITAL,Decoy,0,-6.81926,-7.4,-0.57,-7.443789615239291
CC(=O)Nc1nc(C(=O)N[C@H]2CCCC[C@@H]2O)cs1,C51991114_decoy,ITAL,Decoy,0,-7.28168,-4.79,-2.94,-5.520703012166549
CC(=O)Nc1nc(C(=O)N[C@@H]2CCCC[C@H]2O)cs1,C51991117_decoy,ITAL,Decoy,0,-7.24316,-4.67,-2.4,-4.312741271288596
O=C(N[C@H]1CCCC[C@H]1O)c1cncc(C#CCCO)c1,C52012877_decoy,ITAL,Decoy,0,-7.61395,-4.41,-3.01,-4.611248661801654
NS(=O)(=O)c1ccccc1S(=O)(=O)NC1CCC1,C52213624_decoy,ITAL,Decoy,0,-7.67395,-7.65,-1.05,-8.4208287683211
C[C@H]1CCC[C@](NC(=O)C[C@@H]2CCC[NH2+]C2)(C(=O)[O-])C1,C54308891_decoy,ITAL,Decoy,0,-6.02035,-4.29,-0.87,-3.4948891000238387
Cc1cnc(CNC(=O)c2ccc(C#CCN)s2)cn1,C61323627_decoy,ITAL,Decoy,0,-6.90098,-5.43,,99.0
CCC[C@@]1(C(=O)NC2(C(=O)[O-])CCCC2)CCC[NH2+]C1,C62858589_decoy,ITAL,Decoy,0,-6.11607,-6.25,-1.11,-6.442602626953966
CC[C@]1(C(=O)N[C@@]2(C(=O)[O-])CCC[C@H](C)C2)CCC[NH2+]C1,C62859650_decoy,ITAL,Decoy,0,-6.39911,-6.81,-1.68,-7.249011340949618
CC[C@@]1(C(=O)N[C@@]2(C(=O)[O-])CCC[C@H](C)C2)CC[NH2+]C1,C62901009_decoy,ITAL,Decoy,0,-6.48212,-5.95,-3.31,-6.711065301960615
CCC[C@@]1(C(=O)[O-])CCN(C(=O)N2CC[C@H](C[NH3+])C2)C1,C62935102_decoy,ITAL,Decoy,0,-5.40953,-3.41,-0.98,-3.85412508193541
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])Cc2ccc(N)cc2C1,C01435975_decoy,ITAL,Decoy,0,-6.80178,-4.19,-1.32,-4.308280679716576
NS(=O)(=O)c1ccc(NC(=O)/C=C\C(=O)[O-])cc1,C04464082_decoy,ITAL,Decoy,0,-6.9292,-4.15,-2.08,-3.9297391790922527
NC(=O)c1c(NC(=O)/C=C/C(=O)[O-])sc2c1CCCC2,C00116554_decoy,ITAL,Decoy,0,-7.71299,-3.29,-1.61,-4.638261889905222
Cc1nc(NCCCO)[nH]c(=O)c1[C@H](C)C(=O)[O-],C16886385_decoy,ITAL,Decoy,0,-6.41074,-4.22,-2.3,-4.709415250329898
Cc1nc(SCC(=O)NC(N)=O)sc1CC(=O)[O-],C19812699_decoy,ITAL,Decoy,0,-6.45788,-3.81,-0.92,-4.450811627469718
Cc1nc(S[C@H](C)C(=O)NC(N)=O)sc1CC(=O)[O-],C20419153_decoy,ITAL,Decoy,0,-6.72039,-4.2,-2.53,-5.378028691238801
CC(C)NC(=O)CNC(=O)N[C@@]1(C(=O)[O-])CCCC[C@@H]1C,C22161280_decoy,ITAL,Decoy,0,-5.25442,-5.04,-1.71,-3.9039478361812896
CC[C@@H](C)NC(=O)CNC(=O)N[C@@](C)(CC)C(=O)[O-],C22218782_decoy,ITAL,Decoy,0,-6.18323,-4.68,-2.4,-5.812635993340329
CC[C@@H](C)NC(=O)CNC(=O)N[C@](C)(CC)C(=O)[O-],C22218787_decoy,ITAL,Decoy,0,-5.51837,-5.09,-1.69,-5.321805493126664
O=C(Cc1cccs1)NN/C=C1\C(=O)NC(=S)N=C1[O-],C28978649_decoy,ITAL,Decoy,0,-7.3438,-6.8,-1.65,-6.813962361459447
O=C([O-])[C@@H]1O[C@H](Oc2ccccc2)[C@H](O)[C@H](O)[C@@H]1O,C33632560_decoy,ITAL,Decoy,0,-3.8986,-7.61,-1.41,-5.595640969598254
NC1=NC=N/C1=C1/[N-]C(C(=O)NCC(F)(F)F)=CO1,C06088010_decoy,ITAL,Decoy,0,-5.04452,-6.57,-1.21,-5.155225605570663
C[C@H](NS(=O)(=O)c1ccc(CC(=O)[O-])s1)C(N)=O,C35149077_decoy,ITAL,Decoy,0,-6.2672,-4.31,-4.62,-3.547790694312029
O=C([O-])[C@H]1O[C@@H](Oc2ccccc2)[C@@H](O)[C@@H](O)[C@@H]1O,C35652988_decoy,ITAL,Decoy,0,-4.61079,-7.98,-1.91,-6.197647286432362
NC(=O)CCNC(=O)CC1(CC(=O)[O-])CCCCC1,C37365329_decoy,ITAL,Decoy,0,-6.52122,-4.85,-1.24,-6.340499004236567
CN(CCCC(=O)[O-])C(=O)c1ccc(NC(N)=O)cc1,C37456123_decoy,ITAL,Decoy,0,-6.21176,-4.15,-1.35,-4.725718135468375
NC(=O)C1CCC(NC(=O)CCCCC(=O)[O-])CC1,C37796427_decoy,ITAL,Decoy,0,-6.51242,-3.86,-2.36,-4.270508091589149
CC(C)C[C@H](NC(N)=O)C(=O)N(C)CCC(=O)[O-],C37931827_decoy,ITAL,Decoy,0,-5.38192,-5.12,-1.49,-6.868367116362714
CC(=O)N[C@H]1[N-]C(C(=O)Nc2c(C)n[nH]c2C)=CS1,C38805337_decoy,ITAL,Decoy,0,-7.16167,-4.52,-1.55,-4.169325449725148
Cc1ccc2nc(NC(=O)N[C@H](C(=O)[O-])[C@H](C)O)sc2c1,C40536286_decoy,ITAL,Decoy,0,-5.9465,-4.14,-1.34,-3.479482706590113
C[C@@H](O)[C@H](NC(=O)NCC1CCCCC1)C(=O)[O-],C40572734_decoy,ITAL,Decoy,0,-5.0448,-5.06,-1.88,-3.778415855861762
O=C(Nc1cn[nH]c1)NC1(C(=O)[O-])CCCCCC1,C40577513_decoy,ITAL,Decoy,0,-6.81356,-6.7,-1.15,-7.171114423531311
Cc1n[nH]c(C)c1NC(=O)N[C@@H](C(=O)[O-])C(C)C,C40578813_decoy,ITAL,Decoy,0,-5.26436,-6.56,-1.76,-6.066705930840725
NC(=O)CCNC(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21,C40579214_decoy,ITAL,Decoy,0,-5.70915,-4.13,-1.46,-3.952550633765901
CCCNC(=O)CNC(=O)NC1(C(=O)[O-])CCC(C)CC1,C40580064_decoy,ITAL,Decoy,0,-5.47824,-5.19,-1.58,-5.749411374606814
C[C@@H](O)[C@@H](NC(=O)NCCC1CCCCC1)C(=O)[O-],C40602714_decoy,ITAL,Decoy,0,-6.4022,-4.91,-1.78,-5.493017143371464
CC(C)[C@@](C)(CC(=O)NC(C)(C)C(N)=O)C(=O)[O-],C40674789_decoy,ITAL,Decoy,0,-5.12221,-4.66,-1.25,-6.0918119216461
CC(C)[C@](C)(CC(=O)NC(C)(C)C(N)=O)C(=O)[O-],C40674790_decoy,ITAL,Decoy,0,-5.39595,-4.55,-2.17,-3.509672284815992
CC(C)(NC(=O)[C@H]1CC=CC[C@@H]1C(=O)[O-])C(N)=O,C40674802_decoy,ITAL,Decoy,0,-5.59484,-3.72,-1.11,-3.1390092837513968
NC(=O)c1ccc(NC2(C(=O)[O-])CCCCCC2)cc1,C41033298_decoy,ITAL,Decoy,0,-6.8794,-4.06,-0.88,-3.529973357677482
C[C@H]1CCC[C@](NC(=O)c2ccc(N)cc2)(C(=O)[O-])C1,C41036615_decoy,ITAL,Decoy,0,-6.37983,-4.77,-0.48,-5.0333265106929925
NC(=O)c1ccc(NC(=O)N2CCC[C@@H]2CC(=O)[O-])cc1,C42164739_decoy,ITAL,Decoy,0,-5.05776,-3.79,-1.8,-3.199842584303557
C[C@@H]1CC[C@H](C(N)=O)CN1C(=O)NC1(C(=O)[O-])CCCC1,C42439582_decoy,ITAL,Decoy,0,-5.83393,-4.04,-0.91,-3.2837625822526872
C[C@](NC(=O)N(CC(N)=O)C1CCCC1)(C(=O)[O-])C1CC1,C42440159_decoy,ITAL,Decoy,0,-6.58922,-6.53,-1.71,-8.108593358580244
C[C@@H](O)[C@@H](NC(=O)N(CCO)C1CCCCC1)C(=O)[O-],C42527272_decoy,ITAL,Decoy,0,-6.89047,-5.2,-3.13,-8.251235335286575
CCC[C@H](C(=O)N[C@@H](C)c1nnn[n-]1)C(N)=S,C44933254_decoy,ITAL,Decoy,0,-5.9786,-6.08,-2.23,-7.242243266395926
NC(=S)[C@@H](Cc1ccccc1)C(=O)NCc1nnn[n-]1,C44933323_decoy,ITAL,Decoy,0,-6.52233,-7.41,-2.4,-6.9331548895544985
CC(C)(Nc1nnc(SCC(=O)[O-])s1)C(N)=O,C45108416_decoy,ITAL,Decoy,0,-6.11387,-3.79,,99.0
CC(C)(CCC(=O)[O-])NC(=O)N[C@H]1CCCNC1=O,C50398206_decoy,ITAL,Decoy,0,-6.72651,-5.97,-1.26,-7.278305946099021
CC(C)[C@@H](NC(=O)N[C@@H]1CCCC[C@@H]1O)C(=O)[O-],C52011556_decoy,ITAL,Decoy,0,-6.35491,-5.94,-3.23,-6.362847664493844
CC1CCC(NC(=O)N[C@H]2CCCC[C@H]2O)(C(=O)[O-])CC1,C52011814_decoy,ITAL,Decoy,0,-6.23164,-6.81,-0.93,-9.100776905510727
C[C@](NC(=O)c1c[nH]c(=O)[nH]1)(C(=O)[O-])c1ccccc1,C52878858_decoy,ITAL,Decoy,0,-5.93283,-7.84,-1.51,-6.873486315519212
C[C@@](N)(C(=O)Nc1cnn(CC(=O)[O-])c1)c1ccccc1,C52882778_decoy,ITAL,Decoy,0,-6.34803,-6.81,-1.95,-7.210740080314149
CCCNC(=O)[C@H](C)NC(=O)NC[C@H](C)C(=O)[O-],C54336561_decoy,ITAL,Decoy,0,-5.62548,-3.33,-1.82,-3.885944987357192
N#CC(/C=N/C(=S)NCc1ccccc1)=C(\N)[O-],C17222519_decoy,ITAL,Decoy,0,-6.98826,-6.1,,99.0
Nc1ccc(OCC(=O)NC2CCOCC2)c(C(=O)[O-])c1,C62769126_decoy,ITAL,Decoy,0,-6.10126,-5.12,-1.93,-4.017829294399723
C[C@@H](NC(=O)N1CCC(C)(C(=O)[O-])CC1)C(N)=O,C62843194_decoy,ITAL,Decoy,0,-6.1578,-4.33,-1.23,-3.6349670234538927
CC(C)C[C@H](NC(N)=O)C(=O)N1CC[C@@](C)(C(=O)[O-])C1,C62913405_decoy,ITAL,Decoy,0,-5.48496,-6.71,-1.88,-6.420702205031469
CC[C@@]1(C(=O)[O-])CCN(C(=O)[C@@H](NC(N)=O)C(C)C)C1,C62915293_decoy,ITAL,Decoy,0,-5.90801,-6.36,-1.24,-6.682988401519993
NC(=O)c1cccc(OCC(=O)NC2(C(=O)[O-])CCCCC2)c1,C67547845_decoy,ITAL,Decoy,0,-6.30207,-7.12,-3.91,-6.711530710070484
Cc1csc(=O)n1CCC(=O)N(C)Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,C08727869_decoy,ITAL,Decoy,0,-9.59022,-5.4,-1.78,-6.938840124967164
COc1ccc(N2C(SCc3ccc(F)cc3Cl)=N[C@H]3CS(=O)(=O)C[C@H]32)cc1OC,C09060741_decoy,ITAL,Decoy,0,-8.71648,-7.5,-2.47,-8.719409227135467
COC(=O)CN1C(=O)S/C(=C/c2cc(C)n(-c3ccc(Br)cc3F)c2C)C1=O,C01112659_decoy,ITAL,Decoy,0,-8.13924,-6.19,-2.3,-9.51506137098968
O=C(C1CCC(Cn2c(=O)c3sccc3n(Cc3ccccc3F)c2=O)CC1)N1CCCC1,C09726010_decoy,ITAL,Decoy,0,-8.70012,-9.14,-1.96,-7.950372154360607
Cn1ccnc1SCc1cc(=O)c(OC(=O)c2ccccc2I)co1,C09712929_decoy,ITAL,Decoy,0,-7.84979,-7.23,-1.78,-10.401128224151094
O=C(CCS(=O)(=O)c1ccc(F)cc1)N(Cc1ccco1)c1nc2ccc(Cl)cc2s1,C10528223_decoy,ITAL,Decoy,0,-9.33279,-5.02,-3.53,-5.8056310866587335
CS(=O)(=O)c1ccc2nc(N(Cc3ccco3)C(=O)CSc3ccc(F)cc3)sc2c1,C10836094_decoy,ITAL,Decoy,0,-9.1337,-9.04,-1.75,-8.946715584634553
CSc1ccc(CC(=O)N(Cc2ccco2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1,C10836332_decoy,ITAL,Decoy,0,-10.0147,-7.74,-1.97,-10.352886608025733
Cc1ccc(S(=O)(=O)CCC(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Cl)cc3s2)cc1,C11060980_decoy,ITAL,Decoy,0,-9.91707,-9.65,-1.92,-14.652053969741054
Cc1ccc(SCC(=O)N(C[C@@H]2CCCO2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1,C11113525_decoy,ITAL,Decoy,0,-10.4342,-7.76,-1.49,-8.272878562627005
Cc1ccc(S(=O)(=O)CCC(=O)N(C[C@@H]2CCCO2)c2nc3c(F)cc(F)cc3s2)cc1,C11140126_decoy,ITAL,Decoy,0,-9.82558,-8.84,-3.92,-11.824714022581873
Cc1c(Cl)ccc2sc(N(C[C@@H]3CCCO3)C(=O)CCS(=O)(=O)c3ccc(F)cc3)nc12,C11162062_decoy,ITAL,Decoy,0,-10.1061,-8.78,-1.52,-10.332748316814197
CC(C)S(=O)(=O)c1ccc(CC(=O)N(C[C@@H]2CCCO2)c2nc3ccc(F)cc3s2)cc1,C12070691_decoy,ITAL,Decoy,0,-8.79683,-9.23,-3.25,-11.65378710604252
CCS(=O)(=O)c1ccc(/C(CS(=O)(=O)c2ccc(F)cc2)=N\OC)c(Cl)c1Cl,C12338496_decoy,ITAL,Decoy,0,-9.10113,-6.28,-2.31,-7.107273819340246
COc1cc2c(=O)c(S(=O)(=O)c3ccc(F)cc3)cn(Cc3cccc(F)c3)c2cc1OC,C02692242_decoy,ITAL,Decoy,0,-9.31156,-9.85,-2.12,-10.345729889667446
C#CCOc1cc(Br)c(/C=C2\C(=O)N(C)C(=S)N2c2ccc(OCC)cc2)cc1OC,C02799834_decoy,ITAL,Decoy,0,-8.62201,-4.14,-2.58,-5.089863375440315
Cc1cc(C)cc(OCCN(C)C(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)c1,C16175214_decoy,ITAL,Decoy,0,-7.12089,-8.18,-2.85,-7.4292399108309075
CCS(=O)(=O)N1CCc2cc(C(=O)COC(=O)c3ccc(Br)cc3F)ccc21,C18612970_decoy,ITAL,Decoy,0,-8.08388,-7.49,-2.26,-6.84716848818163
CCCOc1ccc(-c2c([O-])n(OCc3ccccc3Br)c3ccccc3[n+]2=O)cc1,C20322736_decoy,ITAL,Decoy,0,-7.89127,-7.22,-2.22,-6.647369462885551
Cc1nc(C)c(C(=O)N2CCC([C@H](Cc3ccc(F)cc3)N(C)Cc3cn(C)nc3C)CC2)s1,C20600263_decoy,ITAL,Decoy,0,-8.64102,-8.28,-2.24,-8.395732220582335
Cc1ccc(Cl)c2sc(N(Cc3ccco3)C(=O)CCS(=O)(=O)c3ccccc3)nc12,C22901028_decoy,ITAL,Decoy,0,-9.41398,-8.91,-2.12,-9.228056921773598
CN(CCOc1ccc(Br)cc1)C(=O)CN1C(=O)S/C(=C\c2cccs2)C1=O,C23206153_decoy,ITAL,Decoy,0,-7.36849,-6.62,-2.17,-5.8423103885987
C[C@@H](c1nn(CN(C)[C@@H](C)c2nc3ccccc3s2)c(=S)n1-c1ccc(F)cc1)N(C)C,C12553606_decoy,ITAL,Decoy,0,-8.7054,-7.37,,99.0
Cc1cc(C(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(C)n1[C@@H]1CCS(=O)(=O)C1,C24630233_decoy,ITAL,Decoy,0,-9.74524,-7.11,-2.63,-10.531474155477287
Cc1ccc(-n2ccnc2SCC(=O)N(Cc2cccs2)[C@H]2CCS(=O)(=O)C2)c(C)c1,C26053400_decoy,ITAL,Decoy,0,-9.04583,-6.7,-2.24,-7.677882697368066
CCN(CC)c1ccc(CN(C(=O)c2oc3ccc(F)cc3c2C)[C@H]2CCS(=O)(=O)C2)cc1,C28228444_decoy,ITAL,Decoy,0,-9.23956,-7.6,-0.51,-8.16940587638946
Cc1ccc(-c2nc(CN3CCN(S(=O)(=O)c4cccc(C(F)(F)F)c4)CC3)cs2)o1,C29694955_decoy,ITAL,Decoy,0,-8.28498,-9.22,-2.14,-9.895880192674316
CN(CCC#N)C(=O)CSc1nc2scc(-c3cccs3)c2c(=O)n1-c1ccccc1,C29813246_decoy,ITAL,Decoy,0,-9.96698,-5.19,-2.01,-8.328121091759341
CCN(CC)c1c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c(=O)n1C,C33453571_decoy,ITAL,Decoy,0,-8.78461,-6.4,-3.85,-7.178794335394581
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)o1)N(C1CC1)[C@@H]1CCS(=O)(=O)C1,C09669511_decoy,ITAL,Decoy,0,-9.15614,-9.07,-2.25,-11.41341548769613
CCCC(=O)[C@H]1[C@H](c2cccc(S(=O)(=O)C(C)C)c2)c2cc3c(cc2C(=O)[C@H]1SC)OCO3,C39484264_decoy,ITAL,Decoy,0,-9.92824,-7.83,-3.21,-10.334863778226444
CS[C@@H]1CN(S(=O)(=O)Oc2ccccc2)[C@@]2(CC[C@H](S(=O)(=O)c3ccccc3)C2)C1,C39508325_decoy,ITAL,Decoy,0,-8.07589,-8.62,-3.47,-7.8428482237546415
O=S(=O)(c1ccccc1)[C@H]1CC[C@]2(C1)[C@@H](Cl)CCCN2S(=O)(=O)Oc1ccccc1,C39513665_decoy,ITAL,Decoy,0,-7.84489,-10.0,-2.83,-2.552115875382757
CC1(C)[C@]2(C(=O)Oc3cccc(OC(=O)[C@]45CC[C@](C)(C(=O)C4)C5(C)C)c3)CC[C@@]1(C)C(=O)C2,C33514236_decoy,ITAL,Decoy,0,-8.2512,-7.41,-2.99,-8.736148996485918
CC1(C)[C@]2(C(=O)Oc3ccc(OC(=O)[C@]45CC[C@](C)(C(=O)C4)C5(C)C)cc3)CC[C@@]1(C)C(=O)C2,C33514238_decoy,ITAL,Decoy,0,-6.70248,-6.85,-2.2,-6.231592353980779
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1OC,C33935582_decoy,ITAL,Decoy,0,-8.22729,-9.31,-2.77,-9.703307193053178
O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N(C1CC1)[C@@H]1CCS(=O)(=O)C1,C19297387_decoy,ITAL,Decoy,0,-9.23894,-5.69,-2.46,-5.9017545436480185
O=C(CSc1nnc(-c2ccc(F)cc2)c2ccccc12)N(C1CC1)[C@H]1CCS(=O)(=O)C1,C19297388_decoy,ITAL,Decoy,0,-9.38112,-5.56,-1.95,-6.264278972621707
Cc1cccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N(C)Cc3ccccc3)CC2=O)c1C,C40251835_decoy,ITAL,Decoy,0,-8.68074,-7.9,-3.86,-7.363218562093966
Cc1ccc(CCN2C[C@@H](C(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1,C40325418_decoy,ITAL,Decoy,0,-9.53866,-8.48,-3.01,-8.913013221634209
Cc1ccc(CCN2C[C@H](C(=O)N(Cc3ccc(C)cc3)[C@@H]3CCS(=O)(=O)C3)CC2=O)cc1,C40325458_decoy,ITAL,Decoy,0,-8.16993,-9.15,-4.05,-8.553636559918923
CCOC(=O)CCCN1C(=O)/C(=C2/C(=O)N(CC)c3ccc(Br)cc32)SC1=S,C40938725_decoy,ITAL,Decoy,0,-9.12061,-3.89,-1.28,-5.580301235831127
C[C@H]1C[C@H]1c1ccc(CN(C(=O)COc2ccc(Br)cc2)[C@@H]2CCS(=O)(=O)C2)o1,C47132684_decoy,ITAL,Decoy,0,-9.62374,-8.64,-2.99,-9.352322125979692
O=C(c1ccc2c(c1)C(=O)N(C[C@H]1CCCO1)C2=O)N(Cc1cccs1)Cc1cccs1,C24468875_decoy,ITAL,Decoy,0,-9.10432,-5.18,-2.9,-5.925654137302228
CS(=O)(=O)c1ccc(S(=O)(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)cc1,C24050999_decoy,ITAL,Decoy,0,-8.30994,-8.27,-2.28,-7.35315654533643
CCn1c(SCC(=O)c2ccccc2)nnc1[C@@H]1CCCN1C(=O)c1ccc(Br)cc1,C59180555_decoy,ITAL,Decoy,0,-8.44345,-6.76,-3.24,-6.587578719380456
Cc1cc(C(=O)CN2CCN(S(=O)(=O)Cc3ccc(F)cc3)CC2)c(C)n1-c1ccc(F)cc1,C62694800_decoy,ITAL,Decoy,0,-7.89896,-6.79,-2.64,-5.765188826787613
Cc1ccc(-c2cnc(SCC(=O)C3=CC(C(=O)N4CCCC4)=NC3)n2-c2ccccc2)cc1,C40079163_decoy,ITAL,Decoy,0,-8.49902,-5.33,-1.54,-6.094803645045552
CC(=O)C1=C(C)C(C(=O)CSC2=NC(=O)C3=C(c4ccc(F)cc4)[C@H](C)SC3=N2)=N[C@H]1C,C38735606_decoy,ITAL,Decoy,0,-8.06538,-7.87,-1.38,-7.41271277787918
O=C(CN1C(=O)[C@H]2CCCC[C@H]2C1=O)N1CCN(Cc2ccc(-c3cccc(F)c3)s2)CC1,C32809450_decoy,ITAL,Decoy,0,-7.97198,-7.5,-2.67,-6.050268785476255
CCOC(=O)[C@]12C(=O)Oc3ccc(Br)cc3[C@H]1[C@@]2(CC)C(=O)c1ccccc1,C01152759_decoy,ITAL,Decoy,0,-8.98666,-9.14,-2.31,-14.01830098734018
O=S(=O)(CCc1nnc(-c2ccc(Br)cc2)o1)c1ccc(Br)cc1,C00990879_decoy,ITAL,Decoy,0,-8.10783,-8.04,-2.07,-8.59506064525759
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C)C2=O)cc1C,C02302256_decoy,ITAL,Decoy,0,-8.01993,-7.12,-3.17,-6.767260523436968
CCN(CC)C(=O)[C@H](C)Sc1nc2ccc(I)cc2c(=O)n1CC,C02233710_decoy,ITAL,Decoy,0,-8.21366,-5.64,-1.55,-8.35018932846941
Cc1cc(Cl)ccc1OCC(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1,C09463669_decoy,ITAL,Decoy,0,-8.46797,-8.51,-2.82,-9.126077606394484
COc1ccc2c(-c3ccccc3)cc(SCC(=O)[C@@H](C#N)c3nc(C)cs3)nc2c1,C09465039_decoy,ITAL,Decoy,0,-10.1071,-9.35,-1.84,-11.66668671853716
Cc1ccc2nc(N(Cc3ccccc3)C(=O)CCS(=O)(=O)c3ccccc3)sc2c1,C09525027_decoy,ITAL,Decoy,0,-8.68165,-5.74,-2.33,-6.083691785938275
O=C(CS(=O)(=O)c1ccccc1)N(Cc1ccccc1)c1nc2c(F)cc(F)cc2s1,C09525532_decoy,ITAL,Decoy,0,-9.02847,-10.55,-2.8,-11.318246782356164
C=CCn1c(SCC(=O)N(C)Cc2ccccc2Br)nc2ccccc2c1=O,C10093317_decoy,ITAL,Decoy,0,-8.80812,-8.12,-2.77,-10.069498234346852
CCn1c(SCC(=O)N(C)Cc2cccs2)nc2sc3c(c2c1=O)CC[C@H](C)C3,C10440144_decoy,ITAL,Decoy,0,-8.21013,-5.74,-2.15,-6.228264515155228
CN(C)S(=O)(=O)c1cccc(COC(=O)c2cccc(I)c2)c1,C10716331_decoy,ITAL,Decoy,0,-7.76057,-7.29,-1.76,-9.823266526010444
Cc1sc2nc(SCC(=O)N(C)Cc3ccsc3)n(C3CCCC3)c(=O)c2c1C,C11385462_decoy,ITAL,Decoy,0,-9.75024,-7.06,-1.72,-10.380536679826806
COc1cc([C@H]2CC(=O)N(C[C@H]3CC=CCC3)c3ccccc3S2)cc(OC)c1OC,C11880332_decoy,ITAL,Decoy,0,-9.21861,-7.2,-1.65,-8.052825688180159
COCCn1c(SCC(=O)c2ccc(Br)s2)nc2ccccc2c1=O,C12877209_decoy,ITAL,Decoy,0,-8.50802,-7.61,-3.72,-7.673339136786559
CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccsc2)C1C(=O)OC[C@H]1CCCO1,C13427072_decoy,ITAL,Decoy,0,-10.2629,-7.79,-2.19,-9.1729297263011
O=C(CN(C1CC1)S(=O)(=O)c1ccccc1)N1CCc2sccc2[C@H]1c1ccccc1,C16489603_decoy,ITAL,Decoy,0,-8.91856,-8.49,-2.19,-10.677598132160249
C=CCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)C(=O)c1ccccc1F,C16508301_decoy,ITAL,Decoy,0,-10.0959,-8.66,-1.94,-12.65007257653038
CC(C)N(Cc1cccc(OS(=O)(=O)c2ccc(F)cc2)c1)C(=O)c1ccc(F)cc1,C16653593_decoy,ITAL,Decoy,0,-8.70081,-9.57,-3.27,-8.768725977745492
Cn1ccc(CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)s2)n1,C20602689_decoy,ITAL,Decoy,0,-7.63723,-8.42,-1.69,-8.386971428164172
C[C@H](OC(=O)c1ccccc1I)C(=O)N(CCC#N)c1ccccc1,C21678294_decoy,ITAL,Decoy,0,-7.86173,-8.13,-3.55,-9.624079927333334
CSc1ccc(CN(C)c2nc(CN3CCOCC3)nc3sc4c(c23)CCC4)cc1,C12789892_decoy,ITAL,Decoy,0,-10.7539,-4.55,-2.52,-6.526341878022371
CCCc1ccc(S(=O)(=O)N2CCN(Cc3nc(-c4ccc(F)cc4)cs3)CC2)cc1,C22605572_decoy,ITAL,Decoy,0,-8.93627,-7.9,-3.67,-6.75343522553895
C=CCN(Cc1cn(-c2cccc(C)c2)nc1-c1cccc(F)c1)[C@@H]1CCS(=O)(=O)C1,C23338758_decoy,ITAL,Decoy,0,-7.69799,-7.11,-3.24,-8.100834380643134
Cc1ccc(OCC(=O)N(Cc2ccc(Cl)cc2Cl)[C@@H]2CCS(=O)(=O)C2)cc1,C27745697_decoy,ITAL,Decoy,0,-10.1592,-7.78,-1.14,-10.07154090229706
CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccccc1Cl)[C@H]1CCS(=O)(=O)C1,C28228511_decoy,ITAL,Decoy,0,-8.26591,-7.38,-1.79,-7.850254108105396
Cc1noc(C)c1COc1ccc(CC(=O)N(C)Cc2ccc(Br)cc2)cc1,C29156607_decoy,ITAL,Decoy,0,-7.47804,-8.08,-1.77,-7.317993235765891
CC[C@@H](Oc1ccc(F)cc1)C(=O)N(Cc1ccc(Cl)cc1)[C@@H]1CCS(=O)(=O)C1,C33457575_decoy,ITAL,Decoy,0,-8.29912,-8.14,-2.69,-8.664533994509984
COCC(=O)N(Cc1ccc(F)cc1F)C[C@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1,C35615884_decoy,ITAL,Decoy,0,-9.03642,-9.18,-2.38,-9.245414488912074
CC[C@@H](C)N(Cc1ccc(OS(C)(=O)=O)cc1)C(=O)c1ccc(Br)cc1,C35776460_decoy,ITAL,Decoy,0,-8.78262,-7.3,-2.27,-8.71386222906518
CCN(CC(=O)N1CCn2cccc2[C@H]1c1ccccc1)C(=O)c1ccc(Br)cc1,C35845659_decoy,ITAL,Decoy,0,-7.54851,-5.27,-1.7,-5.6633658927323465
CN(C)c1c(CN(Cc2ccc(F)cc2)C(=O)c2ccccc2)c(-c2ccccc2)nn1C,C35970186_decoy,ITAL,Decoy,0,-7.81673,-9.23,-2.76,-8.914728862469692
O=C(c1ccc(Cl)cc1)N(Cc1nccn1Cc1ccccc1Cl)C[C@@H]1CCCO1,C35973195_decoy,ITAL,Decoy,0,-9.06179,-9.0,-2.59,-9.024606816426578
Cc1cc(C(=O)CSc2nn(-c3ccccc3)c(=S)s2)c(C)n1Cc1ccco1,C03413301_decoy,ITAL,Decoy,0,-8.75588,-7.52,,99.0
COCCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCCCC2)SC1=S,C38732082_decoy,ITAL,Decoy,0,-9.60172,-7.8,-2.99,-11.891052163934544
COCCCN1C(=O)/C(=C/c2cc3cc(C)ccc3nc2N2CCC(C)CC2)SC1=S,C38732483_decoy,ITAL,Decoy,0,-9.57362,-5.33,-2.7,-6.624610751884901
CO[C@@H]1C(=O)c2cc3c(cc2[C@@H](c2cccc(SC)c2)[C@@H]1C(=O)Cc1ccccc1)OCO3,C39483602_decoy,ITAL,Decoy,0,-9.77618,-8.1,-4.37,-10.205930899917854
CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccccc2)cc1,C33887858_decoy,ITAL,Decoy,0,-8.35674,-7.15,-2.71,-7.38603746501997
C=CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1,C39825611_decoy,ITAL,Decoy,0,-9.64113,-7.63,-3.4,-8.459976622551865
Cc1cc(O[C@H](C)C(=O)N(Cc2ccc(F)cc2)[C@@H]2CCS(=O)(=O)C2)ccc1Cl,C39909182_decoy,ITAL,Decoy,0,-8.25449,-8.12,-2.38,-8.360202555407943
COc1ccc(CN(CC2=NC(=O)C3=C(c4ccc(C)cc4)[C@@H](C)SC3=N2)C2CC2)cc1,C39991449_decoy,ITAL,Decoy,0,-8.6475,-8.41,-1.57,-7.791923351519324
COc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)[C@@H](C)Cl)cc1,C16506620_decoy,ITAL,Decoy,0,-9.36259,-7.92,-3.01,-9.650330839803331
COc1ccc([C@@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)C(=O)[C@H](C)Cl)cc1,C16506628_decoy,ITAL,Decoy,0,-9.63235,-8.04,-2.04,-12.976918427584517
CN(CC(=O)N1CCc2sccc2[C@@H]1c1cccs1)S(=O)(=O)c1ccc(Cl)s1,C45620017_decoy,ITAL,Decoy,0,-9.54612,-7.71,-1.91,-8.263355426167184
C[C@H]1C[C@H]1c1ccc(CN(C(=O)[C@@H]2[C@H](C=C(Cl)Cl)C2(C)C)[C@@H]2CCS(=O)(=O)C2)o1,C47132752_decoy,ITAL,Decoy,0,-9.06434,-5.82,-2.73,-7.2094259848087825
CN(Cc1cnn(Cc2ccccc2)c1)C(=O)[C@H]1CC=CC[C@H]1c1nc2ccccc2s1,C48332805_decoy,ITAL,Decoy,0,-7.56644,-5.13,-2.99,-5.1999559566938505
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nc3ccsc3c(=O)n2CCc2cccs2)C1,C57489053_decoy,ITAL,Decoy,0,-9.93698,-7.65,-2.95,-9.998081067507714
O=S(=O)(c1ccc(Br)s1)N1CCN(CCCOc2ccccc2)CC1,C31583247_decoy,ITAL,Decoy,0,-7.62599,-6.37,-2.19,-6.360696409494083
O=C(/C=C/c1ccc(-c2ccccc2F)s1)N(C[C@@H]1CCCO1)[C@H]1CCS(=O)(=O)C1,C58637626_decoy,ITAL,Decoy,0,-8.94737,-8.0,-4.26,-7.542609177385603
CCCN(C[C@@H]1COc2ccccc2O1)S(=O)(=O)c1ccc(F)cc1Br,C59745255_decoy,ITAL,Decoy,0,-8.72113,-8.37,-2.24,-9.553846580177824
Cc1cc(C(=O)CN2CCN(C(=O)C34CC5CC(CC(C5)C3)C4)CC2)c(C)n1-c1ccc(F)cc1,C62694690_decoy,ITAL,Decoy,0,-7.11684,-7.66,-3.19,-7.78267064487734
CC[C@]12C[C@@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)[C@@H]1C(C)=C(CC[C@@H](C)CNC(C)=O)O2,C04014877_decoy,ITAL,Decoy,0,-9.04908,-5.05,-3.78,-6.169932195494158
O=C(COC(=O)[C@H]1CC=CC[C@H]1C(=O)N(c1ccccc1)c1ccccc1)c1ccc(Br)cc1,C00990610_decoy,ITAL,Decoy,0,-7.86468,-8.95,-3.94,-8.412419115283404
Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2ccc3ccccc3c2)cc1,C00623782_decoy,ITAL,Decoy,0,-9.68362,-10.87,-2.33,-9.854703084136847
CC[C@@]1(C)Cc2c(sc3nc(SC)nc(SCC(=O)N(c4ccccc4)c4ccccc4)c23)CO1,C02231028_decoy,ITAL,Decoy,0,-10.2698,-5.51,-2.05,-7.353139441842542
CCc1cccc(CC)c1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@@H](C)C3,C02614264_decoy,ITAL,Decoy,0,-8.89322,-8.88,-3.85,-7.835498951882944
CCOc1ccc(NC(=S)c2c(-c3ccc(OC)cc3)c3c4n(c(-c5ccccc5)cn24)CCCC3)cc1,C01898677_decoy,ITAL,Decoy,0,-8.44782,-8.64,-3.98,-7.623528479316007
CCC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4C[C@@]5(C)OC(CC[C@@H](C)CNC(C)=O)=C(C)[C@@H]5[C@]4(C)CC[C@H]32)C1,C09165288_decoy,ITAL,Decoy,0,-9.16247,-6.9,-2.18,-6.76456476202678
O=C1/C(=C\c2ccc(OCCc3ccccc3)cc2)SC(=S)N1NC(=O)C12CC3CC(CC(C3)C1)C2,C09233300_decoy,ITAL,Decoy,0,-7.65559,-6.61,-2.86,-5.969284470214313
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccccc3)C2=O)cc1C,C02248581_decoy,ITAL,Decoy,0,-8.62734,-6.12,-3.37,-6.357508916561208
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCCCC)C2=O)cc1C,C09435822_decoy,ITAL,Decoy,0,-8.837,-6.5,-3.47,-7.436417057990448
CC[C@H](C)c1ccc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccc(C)cc2)CCCC4)cc1,C09459662_decoy,ITAL,Decoy,0,-9.64168,-7.86,-2.71,-8.628237573338462
CCOc1ccc2c(c1)S[C@H](c1cc(OC)c(OC)c(OC)c1)CCN2Cc1c(F)cccc1Cl,C12190353_decoy,ITAL,Decoy,0,-10.0758,-7.44,-1.29,-9.295537169848275
COc1cc2c(cc1OC)[C@H](c1ccc(OCc3ccccc3)cc1)C1=C(C[C@H](c3cccs3)CC1=O)N2,C12349637_decoy,ITAL,Decoy,0,-9.2695,-5.7,,99.0
C[C@@H]1CCc2c(sc3nc(C45CC6CC(CC(C6)C4)C5)nc(SCC(=O)NCCc4ccccc4)c23)C1,C12636547_decoy,ITAL,Decoy,0,-9.3223,-7.36,-3.27,-5.966225356616054
Cc1ccc(-c2c3c4n(c(COc5ccccc5)nn4c2C(=S)Nc2cccc(Cl)c2)CCCC3)cc1,C15910742_decoy,ITAL,Decoy,0,-10.0847,-9.46,-2.64,-9.393981461547128
O=C(C[C@H]1S/C(=N\c2ccc(Cl)c(Cl)c2)N(CCC2=CCCCC2)C1=O)Nc1ccc(F)cc1,C03286207_decoy,ITAL,Decoy,0,-10.7885,-9.08,-1.6,-13.438921952621978
CCC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]2(C)[C@H]4C(C)=C(CC[C@@H](C)CNC(C)=O)O[C@]4(C)C[C@@H]32)C1,C16040525_decoy,ITAL,Decoy,0,-9.49082,-7.68,-3.18,-7.577759222006065
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(C)cc1)C(=O)[C@H](CC)c1ccccc1,C16569373_decoy,ITAL,Decoy,0,-8.86477,-6.89,-2.54,-7.723807268693017
COc1ccc(COC(=O)C2=C(C)NC3=C(C(=O)C[C@@H](c4cccs4)C3)[C@@H]2c2ccc(Cl)cc2)cc1,C01074821_decoy,ITAL,Decoy,0,-9.72625,-5.61,-2.17,-6.788229539990973
C=CCn1c(SCc2csc(-c3ccccc3)n2)nnc1-c1cc(-c2ccccc2)nc2ccccc12,C20161332_decoy,ITAL,Decoy,0,-9.41565,-8.59,-2.86,-7.722994624901883
CCn1c(SCc2csc(-c3ccccc3C)n2)nnc1-c1cc(-c2ccccc2)nc2ccccc12,C20214882_decoy,ITAL,Decoy,0,-9.89945,-9.28,-3.28,-7.7587710753081245
C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2,C20684698_decoy,ITAL,Decoy,0,-9.83264,-9.3,-3.28,-8.245855310158216
COc1ccccc1NC(=S)N(CCc1ccc(Cl)cc1)Cc1cccn1Cc1ccc(C)cc1C,C03054898_decoy,ITAL,Decoy,0,-9.70967,-8.58,-4.56,-8.801294738135141
CCCCCCn1c(COc2ccccc2F)nnc1SCc1cc(=O)oc2ccc3ccccc3c12,C03355036_decoy,ITAL,Decoy,0,-8.20226,-8.7,-2.31,-8.496132373873644
C[C@H](OC(=O)c1ccc(O[C@H](C)C(=O)C23CC4CC(CC(C4)C2)C3)cc1)C(=O)C12CC3CC(CC(C3)C1)C2,C32936354_decoy,ITAL,Decoy,0,-7.98506,-6.64,-3.32,-7.995772455102704
COc1ccc(-c2cc(C(=O)N(CCc3ccccc3)Cc3ccccc3)n(-c3ccccc3)n2)c(OC)c1,C33587702_decoy,ITAL,Decoy,0,-9.5018,-6.1,-3.64,-7.119634225038813
CCCCN([C@@H](CC)c1nc2cc(Cl)ccc2c(=O)n1CC)S(=O)(=O)c1ccc(C(C)(C)C)cc1,C35026355_decoy,ITAL,Decoy,0,-8.62668,-7.9,-2.75,-8.48501665163038
Cc1cc(Br)cc(Br)c1OCC(=O)Nc1ccc(OCCc2ccccc2)cc1,C14668845_decoy,ITAL,Decoy,0,-9.24293,-7.8,-2.7,-8.663432252881115
Cc1ccc(NC(=O)c2ccc(CSc3nnc(Cc4ccccc4)n3-c3ccccc3F)cc2)cc1C,C37398547_decoy,ITAL,Decoy,0,-9.62479,-9.92,-3.79,-12.464862437326888
CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)C[C@H](C)C2)SC1=S,C39769347_decoy,ITAL,Decoy,0,-9.68361,-4.81,-3.5,-7.105272096696653
CCCCCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1,C39825396_decoy,ITAL,Decoy,0,-8.664,-6.1,-1.87,-5.950489200602871
CCCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1OCC,C39826403_decoy,ITAL,Decoy,0,-8.27429,-5.24,-2.79,-6.201477156606056
CCCCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)cc2)cc1OC,C39873677_decoy,ITAL,Decoy,0,-8.89914,-4.32,-2.66,-5.757358166522404
CCCCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccccc2)cc1OCC,C39874522_decoy,ITAL,Decoy,0,-8.6481,-6.35,-3.33,-7.449546580486148
CCCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C(F)(F)F)c2)cc1,C39877902_decoy,ITAL,Decoy,0,-9.07149,-7.99,-3.15,-7.82316431018047
CCCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1,C39879577_decoy,ITAL,Decoy,0,-8.73367,-4.15,-2.25,-5.600866837970537
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(OCCC(C)C)c1)N(c1cccc(C(F)(F)F)c1)C3=O,C39879985_decoy,ITAL,Decoy,0,-8.76213,-6.28,-2.39,-6.131734115785581
CCCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1,C39913770_decoy,ITAL,Decoy,0,-8.62871,-6.1,-1.61,-5.680376247689851
C=CCn1c(SCC(=O)Nc2ccc(Br)cc2F)nnc1-c1csc2c1CCCCC2,C39966712_decoy,ITAL,Decoy,0,-9.94247,-6.1,-2.94,-6.794274970054827
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C3CCCCC3)C2=O)c(C)c1,C33931412_decoy,ITAL,Decoy,0,-8.71376,-6.85,-4.2,-6.665424784496448
Cc1cccc(OCCCn2c([C@@H]3CC(=O)N(c4ccccc4Br)C3)nc3ccccc32)c1C,C40252695_decoy,ITAL,Decoy,0,-8.89487,-5.98,-3.55,-6.022569060876274
CCCCc1ccc(N2C[C@H](c3nc4ccccc4n3CCCOc3ccc(C(C)(C)C)cc3)CC2=O)cc1,C40270988_decoy,ITAL,Decoy,0,-8.88254,-8.71,-2.48,-9.136955140887409
CCCCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCCOc3ccc(Cl)c(C)c3)CC2=O)cc1,C40271087_decoy,ITAL,Decoy,0,-8.77477,-8.7,-3.54,-8.712039177376335
CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCCOc3ccc(Cl)c(C)c3)CC2=O)cc1,C40271397_decoy,ITAL,Decoy,0,-8.16055,-8.9,-2.26,-8.490441074843293
C=CCOc1ccc(C2=C[C@H]3c4cc(Br)ccc4O[C@@H](c4ccc(OCCC)cc4)N3N2)cc1,C01770092_decoy,ITAL,Decoy,0,-9.67802,-4.49,-2.05,-5.906297300376086
COc1ccc(C2=NC[C@H](CSc3nnc(SC[C@H]4CN=C(c5ccc(OC)cc5)S4)s3)S2)cc1,C02659545_decoy,ITAL,Decoy,0,-9.32165,-6.56,-1.82,-7.012542571546264
Fc1ccc(CN(Cc2ccccc2)/C(=N/c2ccccc2)SCc2ccc(Br)cc2)cc1,C33708244_decoy,ITAL,Decoy,0,-9.33482,-9.33,-3.72,-9.69790523611238
O=C(CCc1ccccc1)Nc1ccc2nc(SCC(=O)n3c4c(c5ccccc53)CCCC4)sc2c1,C59010478_decoy,ITAL,Decoy,0,-8.70313,-8.22,-3.6,-7.195517583538843
C=CCc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(Br)c1OCc1ccc(Cl)cc1,C59335680_decoy,ITAL,Decoy,0,-8.61954,-9.01,-2.47,-8.277714419401216
CCc1ccc(/C=C2\Oc3cc(OC(=O)[C@@H](C)Oc4c(F)c(F)c(F)c(F)c4F)cc(C)c3C2=O)cc1,C41349773_decoy,ITAL,Decoy,0,-8.79631,-8.45,-3.72,-6.657081201369911
CCCCCOC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC[C@@H](C(C)(C)C)C3,C08432073_decoy,ITAL,Decoy,0,-9.24045,-7.25,-4.0,-8.584696260718019
O=C(COc1ccc2ccccc2c1Br)Oc1cccc(C(=O)OCCCc2ccccc2)c1,C09269758_decoy,ITAL,Decoy,0,-8.28649,-5.94,-1.84,-5.550315904274713
COc1cc(/C=C2/SC(=S)NC2=O)cc(Br)c1OCCOc1ccc(C(C)(C)C)cc1,C09296551_decoy,ITAL,Decoy,0,-9.66515,-5.77,-4.6,-6.045271126568261
Cc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2CC(c3cccs3)=NN2C(=S)Nc2ccccc2)cc1,C09015873_decoy,ITAL,Decoy,0,-11.4702,-9.43,-1.61,-10.076016373445547
CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3cccc(Br)c3)n2-c2ccccc2)cc1,C09309176_decoy,ITAL,Decoy,0,-9.20065,-8.48,-4.43,-7.540257039076842
CCOc1ccc2c(c1)S[C@@H](c1cc(OC)c(OC)c(OC)c1)CCN2Cc1c(F)cccc1Cl,C12190354_decoy,ITAL,Decoy,0,-9.43395,-7.85,-3.92,-9.965775956074095
C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(C(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21,C02063952_decoy,ITAL,Decoy,0,-9.91787,-8.07,-4.11,-7.94471202334037
Cc1cc(/C=N/NC(=O)Cc2cccc(C(F)(F)F)c2)c(C)n1-c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,C04062354_decoy,ITAL,Decoy,0,-7.58248,-8.57,-3.87,-6.130311677026805
C=CCN1C(=O)/C(=C\c2cc(Cl)cc(Cl)c2OCCOc2ccc(C(C)(C)C)cc2)SC1=S,C13940172_decoy,ITAL,Decoy,0,-9.73882,-7.46,-3.34,-10.063774232038222
O=C(OCc1ccc(COC(=O)C2(c3cccc(F)c3)CCCC2)cc1)C1(c2cccc(F)c2)CCCC1,C15914018_decoy,ITAL,Decoy,0,-8.89546,-8.25,-2.05,-9.766962117040666
Cc1ccc(/N=C2\S[C@@H](CC(=O)Nc3ccc(F)cc3F)C(=O)N2CCC2=CCCCC2)cc1Cl,C15979040_decoy,ITAL,Decoy,0,-9.33984,-10.07,-1.96,-9.095053764315296
CCCCCCN(C(=O)c1cccc(C(F)(F)F)c1)[C@@H](CC)c1nc2cc(Cl)ccc2c(=O)n1CC,C16424159_decoy,ITAL,Decoy,0,-7.48788,-8.75,-2.61,-10.612440264921965
CCCC[C@@H](CC)C(=O)N(CCCC)CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1,C16569131_decoy,ITAL,Decoy,0,-8.27791,-7.14,-3.27,-8.023720635950824
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(C)cc1)C(=O)[C@H](CC)c1ccccc1,C16569374_decoy,ITAL,Decoy,0,-9.45817,-10.14,-3.53,-9.646606851327968
CCOc1ccc(NC(=O)/C(C#N)=C/c2cc(C)n(-c3ccc(C4C5CC6CC(C5)CC4C6)cc3)c2C)cc1,C16691720_decoy,ITAL,Decoy,0,-7.97196,-6.7,-3.81,-5.702250367319399
CCCOc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(Cl)cc2)C3)cc1,C08916512_decoy,ITAL,Decoy,0,-9.56581,-7.68,-3.62,-9.823157530781344
CCCOc1ccc([C@H]2C(C(=O)OC3CCCC3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1,C08916514_decoy,ITAL,Decoy,0,-9.74103,-7.96,-3.0,-8.098981776549419
CC1=C(C(=O)OCCOc2ccccc2)[C@H](c2ccc(Cl)cc2)C2=C(C[C@H](c3cccs3)CC2=O)N1,C02771887_decoy,ITAL,Decoy,0,-9.24987,-9.03,-2.73,-8.762897281534876
CCOC(=O)c1c(NC(=O)c2cc(-c3ccccc3)nc3ccc(Cl)cc23)sc2c1CC[C@@H](CC)C2,C20562560_decoy,ITAL,Decoy,0,-8.61157,-7.4,-3.14,-8.005696833001045
CCOc1cc(CNCCc2ccc(Cl)cc2Cl)cc(Br)c1OCc1ccc(C)cc1,C13723237_decoy,ITAL,Decoy,0,-8.68136,-7.07,-2.54,-7.431140834177876
COc1ccc(NC(=S)N(CCc2ccc(Cl)cc2)Cc2cccn2Cc2ccc(C)cc2C)cc1,C03054952_decoy,ITAL,Decoy,0,-9.72658,-8.19,-2.99,-8.932949002660672
CC(=O)c1ccc(NC(=O)CSc2nc(SCc3ccccc3)nc3sc4c(c23)CCCC4)cc1,C24545986_decoy,ITAL,Decoy,0,-9.16692,-6.93,-3.2,-7.174247268963662
COCCn1c(SCc2c(Cl)cccc2Cl)nnc1-c1cc(-c2ccccc2)nc2ccccc12,C25165265_decoy,ITAL,Decoy,0,-9.26026,-7.06,-2.28,-7.409885194051647
Cc1ccc(NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2sccc2C)C2CCCCC2)cc1C,C34706161_decoy,ITAL,Decoy,0,-8.4558,-8.22,,99.0
CCCCN([C@H](CC)c1nc2cc(Cl)ccc2c(=O)n1CC)S(=O)(=O)c1ccc(C(C)(C)C)cc1,C35026356_decoy,ITAL,Decoy,0,-7.9674,-7.97,-3.6,-8.928503942486893
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(C(C)(C)C)ccn2c1C(=O)c1ccc(C)cc1C,C35326184_decoy,ITAL,Decoy,0,-9.61282,-8.6,-3.96,-10.841776276932082
CCCCc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)C2CC2)cc1,C35707093_decoy,ITAL,Decoy,0,-7.29561,-8.76,-2.29,-8.02623663400849
CCCCN(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1)C(=O)c1ccc(C)cc1,C35746857_decoy,ITAL,Decoy,0,-8.551,-8.02,-4.3,-8.654377689644857
CCCCCCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2ccc(C)cc2)[C@H](C)CC)cc1,C35770605_decoy,ITAL,Decoy,0,-8.94702,-7.02,-2.76,-9.426430506079962
O=C(N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)Cc1ccco1)C12CC3CC(CC(C3)C1)C2,C35838682_decoy,ITAL,Decoy,0,-9.49018,-6.14,-2.46,-7.215690555413249
Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(Cc2ccco2)C(=O)Cc2ccc(Br)cc2)cc1,C36497785_decoy,ITAL,Decoy,0,-9.79755,-8.93,-2.42,-9.281179660986288
C=CCN(CC=C)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc3c(c1)c1ccccc1n3CC)N2,C36550989_decoy,ITAL,Decoy,0,-10.1197,-7.74,-3.77,-8.011087846447767
CC(=O)O[C@@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4CC[C@H](C(=O)O[C@@H](c5ccccc5)C(F)(F)F)[C@]4(C)CC[C@H]32)C1,C37246149_decoy,ITAL,Decoy,0,-7.90615,-8.25,-2.12,-10.025026097460035
CCOc1cc(/C=C2/SC(Nc3ccc(CC)cc3)=NC2=O)cc(I)c1OCC,C15012256_decoy,ITAL,Decoy,0,-8.81594,-6.92,-1.97,-7.133969130003798
CCCCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1,C39825268_decoy,ITAL,Decoy,0,-9.24445,-8.72,-2.44,-7.887250809519022
CCCCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1,C39874101_decoy,ITAL,Decoy,0,-8.53788,-9.19,-2.46,-8.094902366019708
CCCCCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)c1,C39874422_decoy,ITAL,Decoy,0,-9.61879,-6.03,-2.47,-7.790481053150347
CCOc1ccc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2cccc(OCCC(C)C)c2)cc1,C39874447_decoy,ITAL,Decoy,0,-8.92449,-5.13,-1.39,-6.0420661044991615
CCCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(OC)c(Cl)c2)cc1,C39879578_decoy,ITAL,Decoy,0,-8.08827,-5.22,-2.55,-5.074659991254298
CCCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OCC,C39880114_decoy,ITAL,Decoy,0,-8.71213,-5.85,-2.97,-7.111948419887041
Cc1cc(C)c(C)c(Cn2c(CCCCCNC(=O)c3cccc(Br)c3)nc3ccccc32)c1C,C40213659_decoy,ITAL,Decoy,0,-9.10474,-8.83,-3.15,-12.101929255832664
C/C=C/c1ccc(OCCCCn2c([C@@H](C)c3ccc4cc(OC)ccc4c3)nc3ccccc32)c(OC)c1,C40227245_decoy,ITAL,Decoy,0,-8.26194,-8.38,-2.83,-8.018331542143066
Cc1ccc(OCCCCn2c([C@@H]3CC(=O)N(c4ccccc4Br)C3)nc3ccccc32)cc1,C40252776_decoy,ITAL,Decoy,0,-8.69353,-5.09,-3.67,-5.472089220145697
CCOc1cc(CNCCc2ccccc2OC)cc(Br)c1OCc1ccc(F)cc1Cl,C40740460_decoy,ITAL,Decoy,0,-8.71123,-7.57,-2.15,-11.477862203016352
CCCCc1ccc(N(C(=O)[C@@H](C)Oc2ccc(Cl)cc2C)S(=O)(=O)c2ccc(Cl)cc2)cc1,C40966046_decoy,ITAL,Decoy,0,-8.36472,-7.92,-3.47,-8.059860831801958
Cc1ccc(C)c(N(C(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccc(Cl)cc2)c1,C40992161_decoy,ITAL,Decoy,0,-8.16675,-9.05,-1.99,-8.096179530624799
CCc1cc(Br)ccc1OCC(=O)N(c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1,C40992739_decoy,ITAL,Decoy,0,-7.4251,-8.9,-2.49,-8.18065879446217
O=C(CSc1nc2c(c(=O)n1CCc1ccccc1)C1(CCCCC1)Cc1ccccc1-2)Nc1cccc2ccccc12,C01883453_decoy,ITAL,Decoy,0,-8.97198,-10.89,-4.29,-11.318726743587838
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(C(C)C)cc1,C33717854_decoy,ITAL,Decoy,0,-9.70937,-8.46,-2.56,-12.666791076180443
CCc1ccc(/C=C2\Oc3c(ccc(OC(=O)[C@H](C)Oc4c(F)c(F)c(F)c(F)c4F)c3C)C2=O)cc1,C41349623_decoy,ITAL,Decoy,0,-8.85951,-7.43,-2.42,-7.397792961683888
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1ccccc1OC,C13136738_decoy,ITAL,Decoy,0,-7.66533,-7.28,-1.34,-9.495035372338844
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1C,C16730190_decoy,ITAL,Decoy,0,-8.3925,-6.9,-3.36,-7.648321415238876
Cc1ccsc1[C@H]1C2=C(C[C@@H](c3cccs3)CC2=O)Nc2c1c(C)nn2-c1ccccc1C(=O)[O-],C18198849_decoy,ITAL,Decoy,0,-9.0348,-5.14,-3.27,-6.113884228988511
Cc1ccsc1[C@H]1C2=C(C[C@H](c3cccs3)CC2=O)Nc2c1c(C)nn2-c1ccccc1C(=O)[O-],C18198852_decoy,ITAL,Decoy,0,-9.57816,-4.89,-2.8,-5.908302653095831
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccccc2[N+](=O)[O-])cc1,C09334836_decoy,ITAL,Decoy,0,-6.65311,-5.64,-1.95,-5.677223289255243
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(Cc3cccnc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1C,C13570372_decoy,ITAL,Decoy,0,-7.93302,-8.2,,99.0
CCOC(=O)c1ccc(N2C(=O)C([O-])=C(C(=O)c3ccc([N+](=O)[O-])cc3)[C@@H]2c2ccc(OC)cc2)cc1,C09042243_decoy,ITAL,Decoy,0,-7.44056,-4.76,-3.93,-4.966665266835046
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@H](C)C(=O)N1CCc2ccccc21,C25423031_decoy,ITAL,Decoy,0,-6.56067,-8.61,-2.82,-8.557532831881112
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccccc1C(=O)O[C@@H](C)C(=O)N1CCc2ccccc21,C25423037_decoy,ITAL,Decoy,0,-7.13623,-8.73,-3.43,-9.061031627805509
CCCCOc1cccc([C@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2c2nnc(C)s2)c1,C27529810_decoy,ITAL,Decoy,0,-10.0584,-5.91,-4.02,-5.923030796348183
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2cccs2)c1,C33369759_decoy,ITAL,Decoy,0,-9.46358,-5.48,,99.0
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OCC)c3)[C@H]2c2ccccc2)nc1C,C33385626_decoy,ITAL,Decoy,0,-8.54757,-6.29,-2.11,-7.042326169829159
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@H]2c2cccs2)cc1,C09461234_decoy,ITAL,Decoy,0,-9.26662,-6.27,-3.03,-7.53828235293851
CCCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC,C33528298_decoy,ITAL,Decoy,0,-8.04268,-6.45,-3.53,-7.037626723364316
CCCCCOc1ccc([C@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2c2nnc(C)s2)cc1OC,C33662080_decoy,ITAL,Decoy,0,-8.30428,-7.69,-3.63,-8.787402966254424
COCCCN1C(=O)C([O-])=C(C(=O)c2c(C)nc3ccccn23)[C@H]1c1ccc(OCc2ccccc2)cc1,C33814286_decoy,ITAL,Decoy,0,-8.40561,-7.55,-3.36,-7.521942390888128
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1,C34918326_decoy,ITAL,Decoy,0,-9.1765,-8.7,-1.41,-8.611591704448385
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(C)=O)s3)[C@@H]2c2cccc(OCC)c2)cc1,C34931022_decoy,ITAL,Decoy,0,-8.46171,-8.42,-3.83,-8.2618861688882
CCOc1cc([C@@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nnc(C)s2)ccc1OCCC(C)C,C34941110_decoy,ITAL,Decoy,0,-7.93778,-5.71,-2.74,-6.338636508786
C=CCOc1cccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)c1,C34941337_decoy,ITAL,Decoy,0,-8.72234,-6.36,-4.8,-6.997080272439307
Cc1ccc(NS(=O)(=O)c2cc(C(=O)[O-])sc2Br)cc1I,C35255637_decoy,ITAL,Decoy,0,-8.60243,-4.37,-1.33,-4.024745698440013
C=CCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1,C35263432_decoy,ITAL,Decoy,0,-10.0114,-7.49,-2.45,-10.381045153413746
CCOc1ccc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1OC,C35263446_decoy,ITAL,Decoy,0,-9.4091,-7.22,-2.97,-7.452085812254368
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2cccc(OCC)c2)nc1C,C35263744_decoy,ITAL,Decoy,0,-9.72594,-8.54,-3.43,-10.47241447520348
CCCOc1cccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1,C35279941_decoy,ITAL,Decoy,0,-8.70795,-7.39,-3.95,-9.245185705421695
C=CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2Cc2ccccc2)cc1OCC,C35420374_decoy,ITAL,Decoy,0,-9.15871,-7.54,-1.5,-8.583010225291863
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H]1c1cccc([N+](=O)[O-])c1,C35445278_decoy,ITAL,Decoy,0,-7.32538,-7.48,-3.5,-6.633679481203427
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@H]1c1cccc([N+](=O)[O-])c1,C35445279_decoy,ITAL,Decoy,0,-7.31386,-8.9,-2.69,-9.798263039120153
CCCOc1ccc([C@@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2Cc2ccco2)cc1OCC,C35484692_decoy,ITAL,Decoy,0,-7.45166,-8.18,-3.48,-9.064343370449151
CCN(CC)C1=C(c2c(C)nn(-c3cccc(C)c3C)c2[O-])C(=O)N(c2ccc(OC)cc2OC)C1=O,C35621302_decoy,ITAL,Decoy,0,-7.43579,-7.19,-1.96,-6.8110020065378185
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@@H]2c2cccc(Br)c2)s1,C09510461_decoy,ITAL,Decoy,0,-9.13037,-8.29,-1.2,-9.10127772591767
CCOC(=O)[C@H]1C([O-])=NC(SCC(=O)Nc2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1Cl,C02310766_decoy,ITAL,Decoy,0,-8.50785,-5.29,-2.64,-5.867203145451863
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccncc2)nc1C,C38255899_decoy,ITAL,Decoy,0,-9.30078,-7.92,-3.62,-8.367008165431224
Cc1c(C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)c([O-])n(Cc2ccco2)c(=O)c1C#N,C38619487_decoy,ITAL,Decoy,0,-8.76437,-6.16,,99.0
CCOCCCn1c([O-])c(C(=O)CN2C(=O)/C(=C/c3cccs3)SC2=S)c(C)c(C#N)c1=O,C38621431_decoy,ITAL,Decoy,0,-9.52432,-7.29,-1.69,-9.657930404386038
COCCCN1C(=O)C([O-])=C(C(=O)c2sc(Sc3ccc(C)cc3)nc2C)[C@@H]1c1cccc(OC)c1,C39991705_decoy,ITAL,Decoy,0,-9.29048,-7.44,-2.22,-8.036685888749256
CN(C)S(=O)(=O)c1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nccs2)cc1,C39997754_decoy,ITAL,Decoy,0,-7.86137,-5.83,-3.39,-6.062525735230482
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nnc(SCC)s2)cc1,C39999940_decoy,ITAL,Decoy,0,-7.7115,-5.66,-3.47,-6.091069920961293
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2ccc(N(CC)CC)cc2)s1,C39999966_decoy,ITAL,Decoy,0,-7.78489,-4.63,-3.42,-5.922880854135143
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@H]2c2cccc([N+](=O)[O-])c2)cc1,C39999977_decoy,ITAL,Decoy,0,-7.79149,-5.7,-1.96,-5.796803127339593
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1,C39999979_decoy,ITAL,Decoy,0,-8.74451,-5.45,-3.78,-6.529222215006543
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(C(=O)OC)cc2)s1,C40000529_decoy,ITAL,Decoy,0,-10.1313,-4.45,-2.12,-6.937276402080872
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@@H]2c2ccc(N(C)C)cc2)cc1,C40003187_decoy,ITAL,Decoy,0,-9.54013,-5.42,-3.51,-6.775577270221193
Cc1cc(C(=O)C2=C([O-])C(=O)N(CCCO)[C@@H]2c2cccc(Br)c2)ccc1OCC(C)C,C40052501_decoy,ITAL,Decoy,0,-9.15235,-8.84,-3.83,-10.12049639595132
O=C1N=C([O-])/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)C(=O)N1c1ccc(Cl)cc1,C02308375_decoy,ITAL,Decoy,0,-8.13056,-8.04,-3.33,-6.294362442548582
Cc1ccc(NC(=O)CN2C(=O)/C(=N/N=C(\[O-])C(F)(F)C(F)(F)C(F)(F)F)c3ccccc32)cc1,C59148680_decoy,ITAL,Decoy,0,-7.63292,-8.12,,99.0
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3C(=O)[O-])c(=O)n2[C@@H]1c1ccc(OC)c(OC)c1,C59447078_decoy,ITAL,Decoy,0,-8.31639,-7.6,-2.09,-8.884059747167347
O=C1N=C([O-])N(c2ccc(Cl)cc2)C(=O)/C1=C/c1cn(Cc2ccc([N+](=O)[O-])cc2)c2ccccc12,C08927729_decoy,ITAL,Decoy,0,-8.00726,-8.02,-3.41,-6.679325476895254
CCOc1ccccc1[C@@H]1C(C#N)=C(SCC(=O)Nc2cccc(C(C)=O)c2)N=C2CCCC([O-])=C21,C02310019_decoy,ITAL,Decoy,0,-8.74788,-7.38,-2.17,-9.347860382491112
Cc1ccc([C@@H]2CC(=O)C(/C=N/CCN3CCN(CC(=O)Nc4cc(C)cc(C)c4)CC3)=C([O-])C2)cc1,C22930790_decoy,ITAL,Decoy,0,-7.75617,-8.38,-4.11,-7.537586942949251
COc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1,C08821395_decoy,ITAL,Decoy,0,-8.23263,-6.99,-1.99,-8.491567843047378
C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)CSC(=S)SCC(=O)[O-],C12873378_decoy,ITAL,Decoy,0,-8.8442,-5.02,-2.38,-5.607377142305269
CCCCn1c(SCC(=O)c2cc(C)n(C[C@H]3CCCO3)c2C)nc2cc(C(=O)[O-])ccc2c1=O,C13044198_decoy,ITAL,Decoy,0,-8.60639,-8.57,-3.95,-8.75036236359074
CN(C(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@H]1CCCO1)[C@H]1CCS(=O)(=O)C1,C13053183_decoy,ITAL,Decoy,0,-9.21537,-5.74,-1.66,-6.736774633028086
C[C@@H](c1ccc(F)cc1)N(C)C(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C[C@@H]1CCCO1,C13053686_decoy,ITAL,Decoy,0,-9.26758,-5.83,-2.74,-6.564388498576096
Cc1occc1-c1nnc(SCC(=O)[O-])n1/N=C/c1cn(Cc2ccccc2)nc1-c1ccccc1,C13078060_decoy,ITAL,Decoy,0,-5.6981,-5.35,-2.59,-3.941708745808559
CCOc1ccc(-c2nnc(SCc3cc(=O)n4c5c(sc4n3)CCCC5)n2CC(=O)[O-])cc1,C13196000_decoy,ITAL,Decoy,0,-7.62082,-7.57,-3.77,-7.127203956665108
O=C([O-])Cn1c(SCC(=O)N(Cc2ccccc2)CC(F)(F)F)nnc1-c1ccc(Cl)cc1,C13204586_decoy,ITAL,Decoy,0,-6.95344,-8.64,-4.21,-7.554083616538704
Cc1nc2nc(SCC(=O)c3cc(C)n(-c4ccc(Cl)cc4)c3C)nn2c(C)c1CCC(=O)[O-],C13210026_decoy,ITAL,Decoy,0,-7.01611,-6.2,-2.74,-6.098208780625938
Cc1nc2nc(SCC(=O)N(CCc3ccccc3)Cc3cccs3)nn2c(C)c1CC(=O)[O-],C13222399_decoy,ITAL,Decoy,0,-8.36247,-7.5,-3.55,-8.959226307358575
Cc1nc2nc(SCC(=O)N(C[C@H]3CCCO3)[C@@H]3CCS(=O)(=O)C3)nn2c(C)c1CC(=O)[O-],C13234380_decoy,ITAL,Decoy,0,-8.99882,-5.49,,99.0
Cc1nc2nc(SCC(=O)N(C[C@H]3CCCO3)[C@H]3CCS(=O)(=O)C3)nn2c(C)c1CC(=O)[O-],C13234382_decoy,ITAL,Decoy,0,-8.95754,-6.65,-2.82,-6.922542109978721
CCOc1ccc(-c2nnc(SCC(=O)N3CCc4cc([N+](=O)[O-])ccc43)n2CCC(=O)[O-])cc1,C13244626_decoy,ITAL,Decoy,0,-7.09379,-7.64,,99.0
Cc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)c3ccc(CC(=O)[O-])s3)cc2)cc1C,C13307905_decoy,ITAL,Decoy,0,-8.79359,-7.9,-3.23,-7.388967851897381
CCOc1ccc(S(=O)(=O)N(C)c2ccc(OS(=O)(=O)c3cc(C(=O)[O-])cs3)cc2)cc1,C13309106_decoy,ITAL,Decoy,0,-7.44113,-6.38,-3.62,-6.475336476384633
COc1cc(/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)ccc1OCC(=O)c1ccc(C)c(C)c1,C13350332_decoy,ITAL,Decoy,0,-7.61628,-7.51,-3.35,-8.310547859674818
O=C(CSc1ncc(C(=O)[O-])n1-c1ccc(F)cc1)Nc1ccccc1I,C13355614_decoy,ITAL,Decoy,0,-9.22355,-4.68,-3.11,-5.738196861385445
Cc1c(N2C(=O)/C(=C\c3cccc(O[C@@H](C)C(=O)[O-])c3)SC2=S)c(=O)n(-c2ccccc2)n1C,C16909371_decoy,ITAL,Decoy,0,-7.07613,-6.5,-2.78,-6.272555528712772
CCCOc1ccc([C@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1,C09008591_decoy,ITAL,Decoy,0,-8.81248,-6.56,-2.33,-8.06580593460058
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)cc3)[C@@H]2c2cccs2)nc1C,C08984701_decoy,ITAL,Decoy,0,-8.1507,-4.58,-1.68,-5.379842727551561
Cc1ccccc1-n1c([O-])c(C(=O)C[C@@H]2NCCc3ccccc32)c(=O)n(-c2ccccc2C)c1=S,C13757742_decoy,ITAL,Decoy,0,-6.94253,-7.63,-2.36,-6.655131754322467
C=CCOc1ccc(CN(C)C(=O)c2ccc([N-]S(=O)(=O)c3ccc(C)c([N+](=O)[O-])c3)cc2)cc1,C23527290_decoy,ITAL,Decoy,0,-6.86565,-8.0,-3.41,-8.912286657915692
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OCC)c3)[C@H]2c2cccs2)nc1C,C33364419_decoy,ITAL,Decoy,0,-9.11627,-6.22,-2.5,-7.140247523989177
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@@H]2c2ccc(F)cc2)nc1C,C01155151_decoy,ITAL,Decoy,0,-8.44997,-7.89,-1.63,-8.221660411217
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccco2)cc1,C09460984_decoy,ITAL,Decoy,0,-8.37965,-6.6,-2.66,-7.027807602204668
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OC)c3)[C@@H]2c2ccccc2F)nc1C,C33776957_decoy,ITAL,Decoy,0,-7.83074,-8.13,-2.68,-8.442711885598616
CCCCOc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2Cc2cccnc2)cc1,C35420128_decoy,ITAL,Decoy,0,-8.84583,-7.53,-3.18,-8.275467852575115
Cc1cccn2c(C)c(C(=O)C3=C([O-])C(=O)N(CCc4ccccc4)[C@@H]3c3cccc([N+](=O)[O-])c3)nc12,C35484819_decoy,ITAL,Decoy,0,-8.65092,-5.72,-2.32,-6.217992408194861
CCCCCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nnc(C)s2)cc1,C35566176_decoy,ITAL,Decoy,0,-9.76412,-4.38,-3.14,-6.735090288447674
CCCCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2Cc2ccco2)cc1OC,C35567654_decoy,ITAL,Decoy,0,-8.00432,-7.08,-2.88,-7.593797087883892
CCCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2Cc2ccco2)cc1OCC,C35567683_decoy,ITAL,Decoy,0,-9.45509,-7.28,-3.58,-10.197239836108544
CCCOc1ccc([C@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2C[C@@H]2CCCO2)cc1OCC,C35568475_decoy,ITAL,Decoy,0,-10.0476,-8.09,-2.76,-10.63734286210892
C=CCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2C[C@@H]2CCCO2)cc1OCC,C35568478_decoy,ITAL,Decoy,0,-8.3181,-6.36,-2.22,-7.827738651017564
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccs3)[C@H]2c2ccc(OCC)cc2)nc1C,C08779311_decoy,ITAL,Decoy,0,-9.1892,-6.47,-2.56,-8.66894088319002
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccc([N+](=O)[O-])c2)nc1C,C08779340_decoy,ITAL,Decoy,0,-8.44806,-6.83,-1.44,-7.561818211298676
CC[C@H](C)n1c([O-])c(C(=O)CCCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c(C#N)c1=O,C38617437_decoy,ITAL,Decoy,0,-7.70322,-7.01,-4.33,-6.3215834140816565
COCCCn1c([O-])c(C(=O)CCN2C(=O)/C(=C/c3ccccc3)SC2=S)c(C)c(C#N)c1=O,C38620983_decoy,ITAL,Decoy,0,-8.06857,-7.38,-4.3,-8.178198067443414
CC(C)S(=O)(=O)C(=O)[C@@H]([C@@H](/N=C(\[O-])S(=O)(=O)C(C)C)c1ccccc1)S(=O)(=O)C(C)C,C39495197_decoy,ITAL,Decoy,0,-8.79823,-6.06,-4.23,-8.42995508304737
CCN(CC)c1ccc(-c2nnc(SCC3=NC(=O)C4=C(C)[C@@H](C(=O)[O-])SC4=N3)n2CC)cc1,C39692575_decoy,ITAL,Decoy,0,-7.8526,-6.52,,99.0
COCCCN1C(=O)C([O-])=C(C(=O)c2sc(Sc3ccc(C)cc3)nc2C)[C@@H]1c1cccnc1,C39991701_decoy,ITAL,Decoy,0,-8.77183,-7.05,-3.56,-7.523998529570968
COCCCN1C(=O)C([O-])=C(C(=O)c2sc(Sc3ccc(C)cc3)nc2C)[C@@H]1c1ccncc1,C39991721_decoy,ITAL,Decoy,0,-8.85028,-4.71,-3.25,-5.885181624717074
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SC)s3)[C@@H]2c2cccc(OC)c2)cc1,C40003126_decoy,ITAL,Decoy,0,-7.94735,-7.31,-2.5,-7.070738168738974
COCCCn1c([S-])nc2cc(C(=O)Nc3cccc(I)c3)ccc2c1=O,C45546669_decoy,ITAL,Decoy,0,-8.24645,-6.32,-1.77,-9.587496115047154
CCNS(=O)(=O)c1ccc([N-]S(=O)(=O)c2cc(Br)ccc2Br)cc1,C46543317_decoy,ITAL,Decoy,0,-7.97016,-7.33,-3.26,-9.09014980485527
COc1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2[O-])cc(I)c1OC,C33321614_decoy,ITAL,Decoy,0,-7.84305,-4.65,-2.24,-4.8940055309664565
CCOc1ccc(N2C(=O)N=C([O-])/C(=C/c3cc(OC)c(OCCC(C)C)cc3[N+](=O)[O-])C2=O)cc1,C59861052_decoy,ITAL,Decoy,0,-7.7638,-5.15,-2.63,-5.900909069588958
CCOc1ccc([N-]S(=O)(=O)C2=NN=C(C(=O)N3CCN(c4ccc(C(C)=O)cc4)CC3)C2)cc1,C32985018_decoy,ITAL,Decoy,0,-7.5154,-8.24,-1.58,-6.785815379626984
COc1ccc(OCCCn2cc(/C=C3/C(=O)N=C([O-])N(Cc4ccco4)C3=O)c3ccccc32)cc1,C17195415_decoy,ITAL,Decoy,0,-8.24726,-6.78,-2.49,-7.314774969146945
COCCO/C([O-])=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccccc1F,C19881740_decoy,ITAL,Decoy,0,-9.16469,-8.42,-4.62,-9.441097695198444
CC[C@H](C)N(C(=O)COC(=O)[C@@H]1C(C(=O)OC)=C(C)N=C(C)/C1=C(\[O-])OC)[C@@H]1CCS(=O)(=O)C1,C25720984_decoy,ITAL,Decoy,0,-7.52678,-7.29,,99.0
O=C(CN(c1ccc(Cl)c(Cl)c1)S(=O)(=O)c1ccccc1)NCCOc1ccc(F)cc1,C02870004_decoy,ITAL,Decoy,0,-9.67135,-8.33,-3.73,-9.837033006304347
CCc1ccc2[nH]c(=O)c(CN(Cc3ccc(OC)cc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2c1,C06197804_decoy,ITAL,Decoy,0,-7.74106,-9.1,-3.92,-8.4143908639853
O=C(Cn1c(SCCc2ccccc2)nc(-c2ccccc2)cc1=O)Nc1nc2c(s1)CCCC2,C09003623_decoy,ITAL,Decoy,0,-10.1627,-9.75,-2.69,-10.272552845039286
C=CCOC(=O)C1=C(C)N=C(SCC(=O)Nc2cccc(Cl)c2C)C(C#N)[C@@H]1c1cccs1,C09046783_decoy,ITAL,Decoy,0,-8.94229,-7.44,-3.27,-7.999772893286555
O=C(CSc1nnc(-c2ccc(Br)cc2)n1CCc1ccccc1)NCC(F)(F)F,C02620954_decoy,ITAL,Decoy,0,-9.79204,-8.8,-1.91,-15.34414516435366
C=C(Cl)CSc1nnc(CNC(=O)c2cccc(-c3cccc(F)c3)c2)n1-c1ccc(OC)cc1,C11785849_decoy,ITAL,Decoy,0,-9.57141,-9.0,-2.57,-8.453877148629788
COc1ccc(CCNC(=O)/C(C#N)=C2\S[C@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1,C12273793_decoy,ITAL,Decoy,0,-8.14671,-8.07,,99.0
CCn1c(CSc2nc3ccccc3s2)nnc1SCC(=O)Nc1cccc(C(F)(F)F)c1,C03412576_decoy,ITAL,Decoy,0,-8.09828,-6.86,-3.27,-6.483048843827507
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)CSc1nc(C)nc2sc3c(c12)CCC3,C12625138_decoy,ITAL,Decoy,0,-9.80751,-7.8,-1.32,-7.781661323061319
C/C(=N\NC(=O)CN(c1cc(C(F)(F)F)ccc1Cl)S(C)(=O)=O)c1ccc(C(C)(C)C)cc1,C15231327_decoy,ITAL,Decoy,0,-7.25175,-9.34,-4.09,-5.760387359529123
Cc1cc(Br)ccc1NC(=O)CN(C)C(=O)c1ccccc1OCCOc1ccccc1,C16013383_decoy,ITAL,Decoy,0,-7.57859,-8.39,-2.75,-7.564173869892922
C/C(CCc1ccccc1)=N\NC(=O)CN(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1ccccc1,C16157609_decoy,ITAL,Decoy,0,-8.42668,-9.34,-2.68,-8.210336149870217
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@@H](C)C2)[C@@H]1c1ccc(Cl)cc1Cl,C20190655_decoy,ITAL,Decoy,0,-10.0263,-4.41,-2.39,-6.88947655430389
N#CCc1ccc(NC(=O)CN(c2ccc(Cl)c(C(F)(F)F)c2)S(=O)(=O)c2ccccc2)cc1,C20234789_decoy,ITAL,Decoy,0,-8.96005,-10.17,-2.64,-12.95076976234351
COc1ccc(CCNC(=O)C(C#N)=C(SCc2ccccc2)SCc2ccccc2)cc1OC,C20645749_decoy,ITAL,Decoy,0,-8.60523,-8.66,-1.09,-11.171803301359098
CCCSc1nc2ccc(NC(=O)CSc3nnc(C(F)(F)F)n3-c3ccccc3)cc2s1,C20840699_decoy,ITAL,Decoy,0,-9.32789,-8.33,-3.81,-8.247667954445884
CCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(OC)c(OCc3ccccc3)c2)cc1,C21249480_decoy,ITAL,Decoy,0,-7.66865,-5.33,-3.58,-5.297985248343952
Cc1ccc(C)c(C(=O)c2ccccc2C(=O)OCc2csc(CC(=O)NCc3ccccc3)n2)c1,C22525995_decoy,ITAL,Decoy,0,-9.40592,-8.62,-2.86,-11.222039359192376
Cc1cc(C)c([C@H](C)NC(=O)COc2ccc(N(Cc3ccc(F)cc3)S(C)(=O)=O)cc2)cc1C,C22605965_decoy,ITAL,Decoy,0,-7.61492,-7.27,-3.73,-6.670282366897745
COCCn1c(C)cc([O-])c([C@@H](c2ccc(SC)cc2)[NH+]2CCN(c3ccccc3F)CC2)c1=O,C22697778_decoy,ITAL,Decoy,0,-7.78475,-4.69,-3.27,-5.62394645321103
CCOC(=O)c1c(-c2ccccc2)csc1N/C(=N/S(=O)(=O)c1ccc(C)cc1)c1ccccc1,C27490980_decoy,ITAL,Decoy,0,-8.48338,-6.62,-4.17,-6.581289512255244
O=C(CSc1nc2cc(C(=O)NC3CCCC3)ccc2c(=O)n1Cc1ccccc1)c1ccc(F)cc1,C32944299_decoy,ITAL,Decoy,0,-8.20924,-5.94,-4.03,-5.76901541561753
CCOc1ccc(-c2c(C)sc(NC(=O)COc3ccc(Br)cc3)c2C(=O)OC)cc1,C01979575_decoy,ITAL,Decoy,0,-8.26215,-7.0,-3.5,-7.202207758342097
CCCCNC(=O)c1csc(CN(CCCC)C(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1,C33492963_decoy,ITAL,Decoy,0,-7.8359,-8.06,-1.93,-9.85535539216356
COc1ccc(-c2nc(-c3cc(C(=O)NC[C@@H]4CCCO4)c(C)n3CCC3=CCCCC3)cs2)cc1,C33599160_decoy,ITAL,Decoy,0,-9.50684,-6.1,-2.94,-6.89103283282088
CC[NH+](CC)CCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@@H]1c1cccc(Br)c1,C33701396_decoy,ITAL,Decoy,0,-8.34642,-7.68,-2.64,-8.145685831474298
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Br)c2)c1,C34933206_decoy,ITAL,Decoy,0,-8.85638,-7.1,-3.79,-8.074813261134736
CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)Nc3ccccc3F)cc2)C(=O)C[C@H]1c1ccccc1F,C35291948_decoy,ITAL,Decoy,0,-8.89218,-8.68,-3.09,-7.945653823365016
CCCC[C@H](CC)C(=O)N(Cc1ccc(F)cc1)Cc1nc(C(=O)NCc2ccc(F)cc2)cs1,C35319616_decoy,ITAL,Decoy,0,-8.81872,-8.88,-4.8,-9.916475749684915
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)[C@H](C(=O)OC)[C@H](C)C2)[C@H]1c1cccc(Cl)c1Cl,C35329196_decoy,ITAL,Decoy,0,-8.63762,-4.06,-4.18,-6.736949731731225
CN(C)c1ccc(NC(=O)C2CCCC2)cc1CN(Cc1ccccc1)S(=O)(=O)c1ccc(F)cc1,C35944776_decoy,ITAL,Decoy,0,-7.51213,-7.54,-3.27,-7.928886685555801
Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](C2CCCCC2)N(C(=O)Cc2ccccc2C)C(C)(C)C)cc1,C36581093_decoy,ITAL,Decoy,0,-7.97854,-9.18,-3.46,-8.363295233839128
O=C(NCc1ccco1)c1ccc(CSc2nnc(Cc3ccccc3)n2-c2ccc(F)cc2)cc1,C37398373_decoy,ITAL,Decoy,0,-9.37203,-9.19,-3.56,-10.025958740151506
COc1cc(Cn2c(C(=O)NCCc3ccccn3)cc3scc(Br)c32)cc(OC)c1,C37542939_decoy,ITAL,Decoy,0,-9.65882,-7.68,-1.76,-12.570322723555368
O=C(CC[C@H]1N=C2c3ccccc3N=C(SCc3ccccc3F)N2C1=O)NCCc1ccccc1,C02967406_decoy,ITAL,Decoy,0,-8.95886,-9.87,-2.19,-11.365952654747844
Cc1nc(-c2ccccc2)sc1C(=O)C1=C([O-])C(=O)N(CC[NH+](C)C)[C@H]1c1ccc(C(C)(C)C)cc1,C33813125_decoy,ITAL,Decoy,0,-9.62359,-8.82,-3.47,-10.287926956521458
CC(C)CNC(=O)[C@@H](C)Sc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1,C16059884_decoy,ITAL,Decoy,0,-8.78371,-7.7,-3.95,-8.460365212666893
Brc1ccc(OCCSc2nnc(-c3c[nH]c4ccccc34)n2C[C@@H]2CCCO2)cc1,C39591877_decoy,ITAL,Decoy,0,-9.32416,-5.06,-1.89,-6.1109227078362975
CC(C)[C@@H](C)NC(=O)CSc1nnc(CSc2nc3ccccc3s2)n1Cc1ccccc1,C11317629_decoy,ITAL,Decoy,0,-9.3825,-7.74,-2.02,-9.259603699171135
CCc1ccc(C[C@H]2S/C(=C(/C#N)C(=O)NCc3ccco3)N(c3ccc(C(C)C)cc3)C2=O)cc1,C39896442_decoy,ITAL,Decoy,0,-8.23568,-8.26,-4.6,-7.930050452377217
CCCc1ccc(OCC(=O)N/N=C/c2cc(Br)c(OC)c(OC)c2)c(Br)c1,C40960158_decoy,ITAL,Decoy,0,-8.37998,-7.0,-2.38,-10.763197820566766
COC(=O)c1sccc1NC(=O)c1ccc(-n2nc(SCc3ccccc3)sc2=S)cc1,C45479943_decoy,ITAL,Decoy,0,-9.37473,-7.09,,99.0
CC(=O)NCCc1ccc(C(=O)[C@@H](C)Sc2nnc(-c3ccccc3)n2-c2ccc(C)c(C)c2)cc1,C45537809_decoy,ITAL,Decoy,0,-9.61469,-10.23,-1.93,-11.49319386985596
CC[C@@H](C)N(CC(=O)c1c(C(C)C)nn(-c2ccc(C)cc2)c1O)C(=O)c1cccc(Br)c1,C35106799_decoy,ITAL,Decoy,0,-7.87718,-7.89,-3.77,-8.121254181428041
CSc1ccc(/C=N/NC(=O)CN(c2ccc(C)cc2)S(=O)(=O)c2ccc(SC)cc2)cc1,C20232320_decoy,ITAL,Decoy,0,-9.2961,-6.79,-2.45,-7.794222097289041
C/C(=N\NC(=O)c1ccccc1N(Cc1ccccc1)S(=O)(=O)c1ccccc1)c1ccc(F)cc1,C20233047_decoy,ITAL,Decoy,0,-6.95324,-9.25,-2.39,-7.515045041808334
CCCOc1ccc(NC(=O)[C@H]2CC(=O)N(CCc3ccccc3)/C(=N/c3ccc(F)cc3)S2)cc1,C33480439_decoy,ITAL,Decoy,0,-9.24492,-8.1,-2.37,-9.387235074944378
C#CCN1CCN(c2ccc(NC(=O)CSc3nc(-c4ccccc4)c(-c4ccccc4)o3)cc2)CC1,C34688542_decoy,ITAL,Decoy,0,-9.00161,-6.17,-1.51,-7.196095736926728
CCc1ccc(OCCCNC=C2C(=O)N(c3ccccc3C)C(=S)N(c3ccccc3C)C2=O)cc1,C59383140_decoy,ITAL,Decoy,0,-8.36323,-7.65,-3.1,-8.85753749219864
Cc1ccc(/C=N/NC(=O)CN(CCc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1,C59444622_decoy,ITAL,Decoy,0,-9.37115,-9.22,-4.56,-8.541743225245028
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccccc4C(=O)[O-])o3)c(=O)n2[C@H]1c1ccccc1OC,C01806667_decoy,ITAL,Decoy,0,-8.89895,-8.33,-3.44,-7.865010332762185
CCOc1cc(/C=C2/SC(=S)N(CCc3ccc(OC)c(OC)c3)C2=O)ccc1O[C@@H](C)C(=O)[O-],C16916901_decoy,ITAL,Decoy,0,-9.35753,-6.39,-3.43,-7.3686551824624145
COc1cc([C@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)cc(OC)c1OC,C09271659_decoy,ITAL,Decoy,0,-8.9747,-4.99,-3.78,-6.21842860805788
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OCC)s3)[C@@H]2c2ccc(C)cc2)cc1,C09008545_decoy,ITAL,Decoy,0,-7.90459,-6.17,-2.61,-6.307740999039214
CCCCOc1ccc([C@@H]2C(C(=O)c3cccc(OCCC)c3)=C([O-])C(=O)N2c2nccs2)cc1OC,C33498648_decoy,ITAL,Decoy,0,-7.76791,-5.31,,99.0
CCCOc1cccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1,C33534016_decoy,ITAL,Decoy,0,-9.01148,-6.69,,99.0
CCCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2CCc2ccccc2)cc1OC,C33670355_decoy,ITAL,Decoy,0,-7.51237,-7.42,-3.36,-7.457908049793822
CCCCOc1ccc([C@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OCC)s2)cc1,C33769920_decoy,ITAL,Decoy,0,-8.65981,-4.73,-2.29,-5.678582548272543
CCCCOc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(F)cc2)c1,C33770057_decoy,ITAL,Decoy,0,-8.56928,-7.4,-3.71,-7.685304225252033
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2Cc2ccncc2)cc1OCC,C34921082_decoy,ITAL,Decoy,0,-9.08051,-7.83,-1.75,-9.144218780105248
CC(=O)OCCCCC1=C(C)[C@@H]2[C@H](C[C@H]3[C@H]4CC[C@H]5C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]5(C)[C@@H]4CC[C@]23C)O1,C35361488_decoy,ITAL,Decoy,0,-8.8809,-6.7,-3.66,-6.428724413672307
CCCCCCOc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2Cc2ccco2)cc1,C35420246_decoy,ITAL,Decoy,0,-8.68772,-7.12,-4.49,-7.939995921793279
CCOc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2CCCOC)cc1,C35445387_decoy,ITAL,Decoy,0,-8.62694,-8.36,-3.55,-8.356237665946326
CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2Cc2ccco2)cc1,C35445396_decoy,ITAL,Decoy,0,-8.24,-8.23,-3.33,-7.77911179145555
Cc1ccccc1COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2ccc(C(C)C)cc2)cc1,C35445532_decoy,ITAL,Decoy,0,-9.86093,-8.75,-3.7,-10.99233192700138
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@H]1c1ccc(C(=O)OC)cc1,C35445618_decoy,ITAL,Decoy,0,-8.28742,-7.72,-3.31,-7.498585695945879
CCOc1cc([C@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2CCOC)ccc1OCCC(C)C,C35484195_decoy,ITAL,Decoy,0,-8.36739,-7.24,-2.35,-7.877280428141966
CCOc1cc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2Cc2ccco2)ccc1OCCC(C)C,C35567690_decoy,ITAL,Decoy,0,-7.31372,-7.3,,99.0
CCCCCCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2C[C@@H]2CCCO2)cc1OC,C35568586_decoy,ITAL,Decoy,0,-8.295,-7.82,-3.09,-8.450162042911725
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2)N2C(/C=C(\[O-])Nc3ccc(F)cc3)=CSC2=N1,C35696900_decoy,ITAL,Decoy,0,-8.58752,-8.27,-2.52,-9.086137655529956
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N3CCC(C(=O)OCC)CC3)N2[C@H]1c1cccc(C)c1,C35697219_decoy,ITAL,Decoy,0,-8.33541,-7.74,-2.62,-7.863715163917054
CC1=C(C(=O)OC(C)C)[C@H](c2ccc([N+](=O)[O-])cc2)N2C(/C=C(\[O-])N(C)Cc3ccccc3)=CSC2=N1,C35705390_decoy,ITAL,Decoy,0,-8.77394,-4.61,-2.2,-5.881965874255148
COCCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N(C)Cc3ccccc3)N2[C@H]1c1ccc(C(C)C)cc1,C36052731_decoy,ITAL,Decoy,0,-7.93046,-6.33,-3.94,-6.997369782523284
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2CCOC)cc1,C09463319_decoy,ITAL,Decoy,0,-8.0801,-5.77,-4.54,-6.336632157608929
CCCCCCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nccs2)cc1,C33813917_decoy,ITAL,Decoy,0,-10.2398,-6.29,-2.61,-9.049129288113765
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCOC)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1,C39827496_decoy,ITAL,Decoy,0,-9.50353,-8.62,-3.97,-9.187763440544918
COc1ccc(CCn2c([O-])c(/N=N/c3ccccc3C(=O)c3ccccc3)c(C)c(C#N)c2=O)cc1OC,C39871592_decoy,ITAL,Decoy,0,-8.56687,-9.62,-2.5,-10.922541386735997
CCCc1nnc(/N=C([O-])/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)s1,C39997853_decoy,ITAL,Decoy,0,-8.15038,-7.02,-4.08,-6.931743241286308
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(CC(C)C)s2)cc1,C39997977_decoy,ITAL,Decoy,0,-7.18728,-5.26,-3.07,-4.107815910238634
CCCCSc1nnc(/N=C([O-])/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)s1,C39998054_decoy,ITAL,Decoy,0,-8.81958,-5.71,-3.56,-6.112199041700813
CCCCCOc1cccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2c2nnc(SCC)s2)c1,C39999454_decoy,ITAL,Decoy,0,-8.8568,-6.74,-3.48,-9.617013012251029
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nnc(SCC)s2)cc1OC,C39999836_decoy,ITAL,Decoy,0,-8.87177,-4.65,-3.3,-5.919736556756781
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@@H]2c2ccccc2F)cc1,C40000072_decoy,ITAL,Decoy,0,-9.89879,-4.99,-1.96,-6.924797631556876
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@@H]2c2cccc(OC)c2)cc1C,C40000198_decoy,ITAL,Decoy,0,-9.30825,-6.47,-2.26,-8.220017907394997
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@H]2c2ccc(OC)cc2)cc1C,C40000201_decoy,ITAL,Decoy,0,-9.71661,-4.57,-4.01,-6.231345995811258
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCCCC)s3)[C@H]2c2ccc(C)cc2)cc1,C40003214_decoy,ITAL,Decoy,0,-8.83007,-5.29,-4.07,-6.402633995356575
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccc(C)cc3)cc2)[C@H]1c1ccc(OCCCCC)cc1,C40030908_decoy,ITAL,Decoy,0,-6.81416,-6.67,-2.05,-7.521980804241261
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2C)[C@H]1c1ccc(OCCC(C)C)c(OC)c1,C40084553_decoy,ITAL,Decoy,0,-8.15308,-6.39,-2.47,-6.968333089849302
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccccc3Cl)cc2)[C@@H]1c1ccccc1[N+](=O)[O-],C40109681_decoy,ITAL,Decoy,0,-8.42424,-4.75,-2.81,-4.92505935811452
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccc(Cl)cc3)cc2)[C@@H]1c1ccccc1[N+](=O)[O-],C40109849_decoy,ITAL,Decoy,0,-8.1669,-8.3,-2.85,-7.568735366021347
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccc(F)cc4)cc3)=C([O-])C(=O)N2CCCC)cc1,C40110307_decoy,ITAL,Decoy,0,-9.90017,-7.04,-3.75,-7.262422633377951
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccc(F)cc3)cc2)[C@H]1c1ccc(N(CC)CC)cc1,C40110366_decoy,ITAL,Decoy,0,-8.39569,-6.42,-2.51,-7.190423707487132
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C([O-])C(=O)N2CCCC)cc1,C40110854_decoy,ITAL,Decoy,0,-6.50942,-7.58,-3.36,-8.192117014865866
CCCCCOc1cccc([C@H]2C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C([O-])C(=O)N2CCCC)c1,C40110897_decoy,ITAL,Decoy,0,-8.31866,-8.02,-4.1,-13.595146580799684
CCCCCCOc1ccc(/C=C(C#N)/C([O-])=N/c2nnc(Cc3ccc(Cl)cc3)s2)cc1OC,C40858477_decoy,ITAL,Decoy,0,-8.49614,-6.07,-4.13,-6.315686156677224
CCCCCCOc1ccc(/C=C(C#N)/C([O-])=N/c2nc3ccc(S(C)(=O)=O)cc3s2)cc1OC,C40859503_decoy,ITAL,Decoy,0,-7.09672,-6.31,-3.56,-5.379979927824018
COc1ccc(CN(Cc2ccc(OC)c(OC)c2OC)/C([O-])=N/S(=O)(=O)c2ccc(C)cc2)cc1,C59076301_decoy,ITAL,Decoy,0,-7.92372,-7.02,-3.66,-7.7852522062289795
CCOC(=O)C1=C([O-])/C(=C/c2cc(C)n(-c3ccc(C)c(C)c3)c2C)S/C1=N\c1ccc(OCC)cc1,C59105484_decoy,ITAL,Decoy,0,-7.70807,-7.74,-2.74,-6.6993501560546544
CCOC(=O)C1=C([O-])/C(=C\c2ccc(OCC(=O)OC)c(OC)c2)S/C1=N\c1ccc(OCC)cc1,C59364524_decoy,ITAL,Decoy,0,-8.53362,-7.14,-4.12,-7.328059496225681
CCOC(=O)C1=C([O-])/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3C)o2)S/C1=N\c1ccc(OCC)cc1,C59364894_decoy,ITAL,Decoy,0,-8.30482,-7.68,-3.0,-6.84976502491498
COC(=O)c1ccc(S(=O)(=O)N(CCc2ccccc2C)Cc2cc3ccc(C)c(C)c3[nH]c2=O)cc1,C00914427_decoy,ITAL,Decoy,0,-8.71459,-9.98,-3.49,-8.660775002022362
COc1c(Br)c(C(=O)OCC(=O)NCc2ccccc2)c(Br)c(OC)c1OC,C01962999_decoy,ITAL,Decoy,0,-8.1986,-6.09,-4.44,-7.036389600151739
COc1ccc(N(C[C@@H](O)Cn2c([C@H]3CC=CCC3)nc3ccccc32)S(=O)(=O)c2ccccc2)cc1,C08817902_decoy,ITAL,Decoy,0,-8.90021,-8.69,-4.45,-8.757338506529143
COc1ccc([C@@H](CNS(=O)(=O)c2ccc(OC3CCCC3)cc2)S(=O)(=O)c2cccs2)cc1,C08968529_decoy,ITAL,Decoy,0,-9.80418,-7.3,-3.34,-8.225280793997221
COc1ccc([C@@H](CNS(=O)(=O)c2ccc3c(c2)CCCC3)S(=O)(=O)c2cccs2)cc1OC,C08969005_decoy,ITAL,Decoy,0,-9.00278,-8.34,-1.5,-10.881818996038842
COc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(Cl)s2)c2ccc(N(C)C)cc2)cc1,C09081055_decoy,ITAL,Decoy,0,-9.13695,-7.36,-2.67,-8.093638409841354
O=C(CSc1nnc(Cn2c(=O)sc3ccccc32)n1CCc1ccccc1)Nc1ccc(F)cc1,C09343768_decoy,ITAL,Decoy,0,-9.50279,-5.44,-2.46,-6.480360918935455
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1,C09460916_decoy,ITAL,Decoy,0,-9.50219,-8.59,-4.54,-9.612023503979152
CCOc1cc(C2C(C(=O)OC)=CN(Cc3ccc(F)cc3)C=C2C(=O)OC)cc(Br)c1O,C02805673_decoy,ITAL,Decoy,0,-9.08464,-6.25,-1.75,-7.601636498008784
COc1ccc(CCNC(=O)CSc2ccc(-c3sc(-c4cccs4)nc3C)nn2)cc1OC,C10455955_decoy,ITAL,Decoy,0,-9.17017,-7.78,-2.69,-7.212234406722644
COc1cc(CN(C(=O)/C=C/c2cccs2)[C@H]2CCCCNC2=O)ccc1OCCc1scnc1C,C12217836_decoy,ITAL,Decoy,0,-9.86275,-6.25,-2.58,-7.751331477221031
CCOc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCc1ccc(F)cc1,C13881029_decoy,ITAL,Decoy,0,-8.39126,-7.58,-2.64,-9.02885914714427
COCCOc1ccc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)N(C)c2ccccc2)cc1,C14662347_decoy,ITAL,Decoy,0,-7.64467,-7.54,-3.36,-7.484353215256444
Cc1ccccc1CSc1nnc(CCNS(=O)(=O)c2ccc(F)cc2F)n1-c1ccc(F)cc1,C15000474_decoy,ITAL,Decoy,0,-8.92248,-5.51,-3.58,-6.185614796787357
Cc1ccccc1CSc1nnc(CCNC(=O)CCC(=O)c2ccc(F)cc2)n1-c1ccc(F)cc1,C15003262_decoy,ITAL,Decoy,0,-9.08967,-9.36,-1.72,-10.921841902178258
CCOc1cc(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)ccc1OCC(=O)Nc1ccc(CC)cc1,C15230438_decoy,ITAL,Decoy,0,-9.04342,-6.57,-3.39,-7.378710484181566
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4cccc(C)c4)cc3)=C([O-])C(=O)N2CCC[NH+](C)C)cc1,C13552103_decoy,ITAL,Decoy,0,-9.03448,-7.88,-3.89,-7.248109280573083
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(Br)cc2)cc1,C16732577_decoy,ITAL,Decoy,0,-9.27949,-6.63,-3.08,-8.764709248810632
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(Br)cc2)cc1,C16732580_decoy,ITAL,Decoy,0,-8.3207,-7.53,-4.33,-8.060105882693119
CCOC(=O)c1c(NC(=O)CSc2nc3sc(C)cc3c(=O)n2-c2ccccc2)sc(C)c1C,C28163482_decoy,ITAL,Decoy,0,-8.2921,-8.3,-2.24,-8.3095409227443
CCOC(=O)c1cc(C)sc1NC(=O)CSc1nc2sc(CC)cc2c(=O)n1-c1ccccc1,C28164470_decoy,ITAL,Decoy,0,-8.19121,-6.19,-2.7,-7.884375800311667
COCCNC(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCC(=O)c3cc(C)ccc3C)nc2c1,C32944649_decoy,ITAL,Decoy,0,-7.62508,-8.89,-2.69,-8.471353782308503
CCOc1ccc(-n2c(=S)sc3c(=O)n(C)c(SCC(=O)Nc4cccc(CC)c4)nc32)cc1,C32950959_decoy,ITAL,Decoy,0,-7.41255,-4.85,,99.0
COc1ccc(CN(CCc2ccc(OC)c(OC)c2)Cc2nc(C(=O)Nc3ccc(C)cc3)cs2)cc1,C00700514_decoy,ITAL,Decoy,0,-7.7265,-7.64,-2.94,-8.221133893499353
CC[NH+](CC)CCCN1C(=O)C([O-])=C(C(=O)c2sc3nc4ccccc4n3c2C)[C@H]1c1ccc(F)cc1,C33522693_decoy,ITAL,Decoy,0,-8.14419,-6.76,-2.63,-7.081724886020768
C=CCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1ccc(C)s1)C(=O)Nc1cccc(C)c1,C33713263_decoy,ITAL,Decoy,0,-8.14167,-7.26,-3.12,-8.077861346514004
CCOc1ccc(NC(=O)N(CC(=O)N(Cc2ccccc2)Cc2sccc2C)C[C@H]2CCCO2)cc1,C33786904_decoy,ITAL,Decoy,0,-8.3088,-8.04,-4.17,-11.248777843038765
CCCN(Cc1cc(NC(=O)COCc2ccccc2)ccc1N(C)C)S(=O)(=O)c1ccc(F)cc1,C34921727_decoy,ITAL,Decoy,0,-9.23741,-7.47,-2.17,-8.003258899056386
CCOC(=O)[C@@H](c1ccccc1)N1C[C@H](CC[C@@H](C)NC(=O)[C@@H]2CC(=O)OC23CCCC3)c2ccccc21,C35098898_decoy,ITAL,Decoy,0,-9.0018,-8.17,-4.11,-8.840887464423544
Cc1ccc(-n2c(CNS(=O)(=O)c3cccc(C(F)(F)F)c3)nnc2SCc2ccccc2)cc1,C35226306_decoy,ITAL,Decoy,0,-9.57436,-5.44,-2.69,-6.536316409825483
COCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)Nc1ccc(C(F)(F)F)cc1,C35394681_decoy,ITAL,Decoy,0,-9.5667,-7.21,-3.4,-8.779009651898226
O=S(=O)(Cc1ccccc1)c1ncc(CN(C[C@@H]2CCCO2)C(=S)NC2CC2)n1Cc1ccccc1,C35667648_decoy,ITAL,Decoy,0,-9.93648,-7.38,-4.04,-9.033500337663826
Cc1ccc(-n2c(SCc3nc(C(=O)NCc4ccc(F)cc4)cs3)nnc2-c2cccnc2)cc1,C35752356_decoy,ITAL,Decoy,0,-9.02969,-5.41,-4.18,-5.999659949642928
CCNC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@@H]1CCCO1,C36040724_decoy,ITAL,Decoy,0,-8.83821,-7.92,-3.91,-9.928094069624288
CC(C)NC(=S)N(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C[C@@H]1CCCO1,C36040726_decoy,ITAL,Decoy,0,-9.14287,-7.7,-4.63,-9.616539576418496
Cc1ccc(S(=O)(=O)CNC(=O)[C@H](c2ccccc2C)N(Cc2ccco2)C(=O)c2ccccc2)cc1,C36502395_decoy,ITAL,Decoy,0,-9.53191,-10.16,,99.0
COc1cccc([C@H](C(=O)NCS(=O)(=O)c2ccc(C)cc2)N(C(=O)c2ccc(F)cc2)C(C)(C)C)c1,C36593144_decoy,ITAL,Decoy,0,-7.21008,-8.8,,99.0
Cc1ccc(S(=O)(=O)CNC(=O)[C@H](c2ccc(C)cc2C)N(Cc2ccc(C)o2)C(=O)CCS)cc1,C36598189_decoy,ITAL,Decoy,0,-11.7635,-7.97,-2.33,-11.512918671384083
COCCNC(=O)CN1C(=O)CS[C@H](c2ccsc2)c2c(C(C)(C)C)nn(-c3ccc(C)cc3)c21,C37263991_decoy,ITAL,Decoy,0,-9.10107,-4.84,-2.22,-6.480218307851305
Cc1ccc(S(=O)(=O)N[C@H](C(=O)Oc2ccc3c(C(F)(F)F)cc(=O)oc3c2)c2ccccc2)cc1,C01156928_decoy,ITAL,Decoy,0,-8.47742,-10.04,-3.05,-10.710869703554367
CCc1ccccc1NC(=O)Cc1nnc(SCC(=O)c2cc(C)n(-c3ccc(F)cc3)c2C)n1CC,C39742569_decoy,ITAL,Decoy,0,-8.17686,-8.11,-2.85,-7.102608849662889
CC(C)COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]2c2ccc(Br)cc2)cc1,C39826988_decoy,ITAL,Decoy,0,-9.21976,-7.07,,99.0
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(NC(=S)N2CCN(c3ccc(C(C)=O)cc3)CC2)cc1,C39971022_decoy,ITAL,Decoy,0,-8.01292,-6.36,-3.1,-8.856871586751412
CCCCNC(=O)c1cc(-c2csc(-c3ccc(C)nc3)n2)n(CCc2ccc(OC)c(OC)c2)c1C,C43251169_decoy,ITAL,Decoy,0,-8.69046,-6.79,-2.53,-8.533820823621957
CCc1cc(-c2nc(-c3cc(C(=O)NCCCOC)c(C)n3CCc3ccc(OC)cc3)cs2)ccn1,C33875429_decoy,ITAL,Decoy,0,-9.5298,-8.05,-2.83,-10.941408639538269
COc1cccc(O[C@H](C)c2nnc(SCC(=O)Nc3ccc(Br)cc3C(C)C)n2C)c1,C20000466_decoy,ITAL,Decoy,0,-8.49089,-7.43,-3.01,-7.233541888113901
COC(=O)C1=C(C)N(c2ccc(F)cc2)/C(=C\c2ccc(OCC(=O)N[C@H](C)c3ccccc3)cc2)C1=O,C58882529_decoy,ITAL,Decoy,0,-8.08532,-6.49,-3.82,-7.3265100446592015
COC(=O)C1=C(C)N(c2ccc(Cl)cc2)/C(=C\c2ccc(OCC(=O)Nc3ccc(F)cc3)cc2)C1=O,C58882562_decoy,ITAL,Decoy,0,-7.65158,-6.51,-3.32,-6.308288068646623
COc1ccc(CN(Cc2cc(OC)c(OC)c(OC)c2)C(=S)Nc2cc(Cl)ccc2OC)cc1,C59067520_decoy,ITAL,Decoy,0,-9.57759,-7.84,-2.6,-11.615373583763615
C=CCn1c(COc2ccccc2)nnc1SCC(=O)Nc1nc2ccc(Br)cc2s1,C59265970_decoy,ITAL,Decoy,0,-8.74119,-8.22,-3.73,-7.677217378635823
O=C(CN(C(=O)Nc1ccccc1Br)C1CC1)N(Cc1ccccc1)Cc1ccco1,C00741128_decoy,ITAL,Decoy,0,-8.3716,-8.31,-1.87,-9.881567789802451
CCc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)S(=O)(=O)c3cccc(C(C)=O)c3)cc2c1,C00914247_decoy,ITAL,Decoy,0,-9.07873,-10.36,-4.34,-9.864470348012254
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(F)c3)C2=O)cc1,C08820075_decoy,ITAL,Decoy,0,-7.75942,-6.64,-2.92,-6.550720129821452
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)s2)S(=O)(=O)c2cccs2)cc1,C09079473_decoy,ITAL,Decoy,0,-10.0885,-6.98,-3.38,-9.856610123789803
CN(C)c1ccc([C@H](CNS(=O)(=O)c2ccc(Cl)s2)S(=O)(=O)c2cccs2)cc1,C09079474_decoy,ITAL,Decoy,0,-9.80277,-6.79,-2.85,-8.144076779078569
COc1cc(C)c(S(=O)(=O)NC[C@@H](c2cccs2)S(=O)(=O)c2ccc(C)c(C)c2)cc1C,C09103691_decoy,ITAL,Decoy,0,-10.1248,-8.42,-1.73,-12.116362604503188
C=CCN1C(=O)/C(=C\c2ccc(OCC(=O)Nc3ccc(C)c(C)c3)c(OCC)c2)SC1=S,C09235771_decoy,ITAL,Decoy,0,-8.74518,-5.94,-1.88,-6.480941141060537
N#Cc1c(NC(=O)COC(=O)c2ccccc2CSC2=NCCS2)sc2c1CCCCC2,C09556269_decoy,ITAL,Decoy,0,-10.0257,-8.24,-2.66,-11.66596230770003
O=C(CCCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccccc2)c(C(=O)c2ccccc2)s1,C09911971_decoy,ITAL,Decoy,0,-9.27805,-10.06,-2.96,-8.655708368003726
Cc1cc(S(=O)(=O)N(C)C)cc(NC(=O)COc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1C,C10954467_decoy,ITAL,Decoy,0,-7.2658,-9.22,-1.93,-8.016751555913462
COc1ccc(CCN(Cc2cc3c(C)cc(C)cc3[nH]c2=O)C(=O)c2cccc(C)c2)cc1OC,C01366438_decoy,ITAL,Decoy,0,-7.26918,-8.41,-2.42,-7.346248455702391
CC(=O)c1ccc(OCCCC(=O)Nc2nc(-c3cc(C)n(-c4ccc(F)cc4)c3C)cs2)cc1,C13129501_decoy,ITAL,Decoy,0,-8.18055,-7.78,-2.5,-6.570064045140128
CC(=O)Nc1sc(C)c(C)c1C(=O)OCC(=O)c1cc(C)n(-c2cccc(C(F)(F)F)c2)c1C,C12546826_decoy,ITAL,Decoy,0,-8.44502,-9.12,-3.08,-10.94143124832996
COc1ccc(CNC(=O)[C@H](c2ccccc2C)N(C[C@H]2CCCO2)C(=O)Cc2cccs2)cc1,C13505942_decoy,ITAL,Decoy,0,-9.52475,-8.92,-3.11,-9.92281733925924
COc1ccc(CNC(=O)[C@H](c2ccc(C)cc2)N(C[C@@H]2CCCO2)C(=O)Cc2cccs2)cc1,C13505950_decoy,ITAL,Decoy,0,-9.91505,-8.77,-2.14,-13.099494099413008
COc1ccc(CNC(=O)[C@@H](c2ccccc2F)N(Cc2ccco2)C(=O)Cc2cccs2)cc1,C01354065_decoy,ITAL,Decoy,0,-9.40062,-7.46,-2.87,-8.793044998981163
CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H](C)Oc2c(C)cc(Br)cc2C)cc1,C14642647_decoy,ITAL,Decoy,0,-8.57622,-7.22,-2.16,-10.65804713637623
COc1ccc(C[C@]2(CCC(=O)N3CCC[C@@H](COc4cccc(C)c4)C3)CCC(=O)N2)c(F)c1,C14883138_decoy,ITAL,Decoy,0,-8.68755,-9.67,-4.16,-8.458518768722863
COc1ccc(N(C)S(=O)(=O)c2cccc(C(=O)NCCCSc3ccc(F)cc3)c2)cc1,C15497628_decoy,ITAL,Decoy,0,-8.88652,-7.27,-3.24,-7.327937180753882
CCCN(CC(=O)N(Cc1ccccc1)Cc1ccco1)C(=O)Nc1ccccc1Br,C16651413_decoy,ITAL,Decoy,0,-7.47493,-8.92,-2.5,-11.396050537461829
CC(=O)NCCc1ccc(C(=O)CSc2nc3ccccc3c(=O)n2[C@@H](C)c2ccccc2)s1,C16811196_decoy,ITAL,Decoy,0,-8.10734,-9.62,-3.4,-10.165717018285438
COc1ccc(Br)cc1CN(C)C(=O)[C@@H](NS(=O)(=O)c1ccc(C)cc1)C(C)C,C17957629_decoy,ITAL,Decoy,0,-8.74879,-8.31,-1.51,-8.889059840353461
CN(Cc1ccccc1)S(=O)(=O)c1ccc(NC(=O)Cc2csc(-c3ccsc3)n2)cc1,C19205145_decoy,ITAL,Decoy,0,-7.43937,-6.26,-2.07,-6.167075685339007
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)c2ccc(F)cc2)=C(C#N)[C@H]1c1ccco1,C20348198_decoy,ITAL,Decoy,0,-8.54294,-5.43,-3.26,-6.523625080031082
CCN(CC)C(=O)Oc1ccc2c(ccn2Cc2cccc(F)c2)c1NC(=O)C(F)(F)C(F)F,C23444200_decoy,ITAL,Decoy,0,-7.63084,-8.25,-3.24,-9.493908907936792
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)c(C)c1,C24080771_decoy,ITAL,Decoy,0,-8.81718,-7.97,-2.89,-9.394083588495594
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(Br)cc2)c(C)c1,C16733324_decoy,ITAL,Decoy,0,-8.80022,-7.72,-2.14,-8.298144136895655
CN(c1ccccc1)S(=O)(=O)c1ccc(C(=O)NCc2ccc(COCC(F)(F)F)cc2)cc1,C27122903_decoy,ITAL,Decoy,0,-8.56848,-6.57,-4.34,-6.308639092826513
COCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)Nc1ccc(F)cc1F,C33764574_decoy,ITAL,Decoy,0,-8.84776,-8.41,-3.73,-8.551720577669373
Cc1ccccc1COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]2c2ccccc2)cc1,C35445212_decoy,ITAL,Decoy,0,-7.44206,-7.79,-2.89,-7.48765195039116
Cc1ccccc1COc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]2c2ccccc2F)cc1,C35445580_decoy,ITAL,Decoy,0,-7.92232,-8.79,-3.13,-9.258397457403497
Cc1cc(C(=O)[C@H](C)OC(=O)C23C[C@@H]4C[C@@H](CC(O)(C4)C2)C3)c(C)n1-c1ccc(OC(F)F)cc1,C12531457_decoy,ITAL,Decoy,0,-7.7197,-7.49,-3.05,-9.614677517823315
C#CCOC[C@@H](O)CN1CCN(c2nc(-c3ccccc3)nc(C)c2Cc2ccccc2Cl)CC1,C35782860_decoy,ITAL,Decoy,0,-9.66535,-6.48,-2.87,-7.04146740898827
CCC/C=C/[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)c1ccc(F)cc1)C(C)(C)C,C36593262_decoy,ITAL,Decoy,0,-6.91421,-7.9,-2.37,-8.752621579164709
Cc1cccc(CO[C@]2(C(=O)NC3CC3)C[C@H](OCc3c(F)cccc3F)[C@@H]3OC(C)(C)O[C@@H]3C2)c1,C37420607_decoy,ITAL,Decoy,0,-9.18165,-10.21,-2.89,-9.733494927478365
COc1ccc(CNC(=O)[C@@H](c2ccncc2)N(C(=O)Cc2cccs2)c2ccccc2C)cc1,C01354136_decoy,ITAL,Decoy,0,-8.47528,-7.14,-3.56,-7.516759808820219
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@H]1c1ccccc1F,C33813193_decoy,ITAL,Decoy,0,-8.69789,-7.91,-1.74,-7.858393623720483
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2sc(-c3ccccc3)nc2C)[C@@H]1c1cccc(F)c1,C33813196_decoy,ITAL,Decoy,0,-7.8528,-7.54,-3.78,-9.154898091261574
CCc1ccc(OC)c(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(Cl)cc2)c1,C38563089_decoy,ITAL,Decoy,0,-9.57075,-7.22,-3.46,-9.492896370250538
Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2ccc(OCC(C)C)cc2)c2cccs2)cc1,C38564611_decoy,ITAL,Decoy,0,-9.48707,-7.49,-2.32,-10.611643858581097
Cc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(OCC(C)C)cc2)c2cccs2)cc1,C38564613_decoy,ITAL,Decoy,0,-8.81696,-7.48,-2.64,-8.40173619521857
CCCOc1ccc(S(=O)(=O)NC[C@H](c2cccs2)S(=O)(=O)c2ccc(F)cc2)cc1,C38565496_decoy,ITAL,Decoy,0,-9.44449,-7.0,,99.0
CCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccccc2Cl)SC1=S,C39851437_decoy,ITAL,Decoy,0,-8.30037,-7.16,-2.54,-7.348279707715142
CCCN(CCC)C(=O)Cn1c(CCNC(=O)c2ccc(Br)cc2)nc2ccccc21,C40201101_decoy,ITAL,Decoy,0,-7.46781,-8.05,-1.62,-8.061864852304035
Cc1cc(C)n(-c2nc3c(c(SCCC(=O)NCc4ccc(C(F)(F)F)cc4)n2)CCCC3)n1,C40851939_decoy,ITAL,Decoy,0,-7.5887,-8.1,-2.53,-6.829585466998943
COc1ccc(Cn2c(-c3csc(-c4ccccc4)n3)cc(C(=O)NC[C@@H]3CCCO3)c2C)cc1,C43251962_decoy,ITAL,Decoy,0,-9.64115,-8.62,,99.0
Cc1sc(NC(=O)CCS(=O)(=O)c2ccc(Cl)cc2)nc1-c1ccc(OC(F)F)cc1,C45452508_decoy,ITAL,Decoy,0,-7.33161,-7.75,-3.91,-6.969663776134618
COC(=O)c1sc2nc(CN(C)Cc3ccccc3)ccc2c1NC(=O)C1(c2ccccc2)CC1,C55327176_decoy,ITAL,Decoy,0,-8.91898,-7.02,-2.93,-6.991072032417423
COc1cc(OC)c(OC)cc1CN(C[C@H]1CCCO1)C(=S)Nc1cc(Cl)ccc1Cl,C59170256_decoy,ITAL,Decoy,0,-9.57519,-7.96,-2.68,-9.771373306298422
C=CCOc1ccc([C@@H]2CC(=O)Nc3c(S(=O)(=O)c4ccc(C)cc4)csc32)cc1OCC,C64798482_decoy,ITAL,Decoy,0,-8.71485,-7.9,-4.19,-8.21255557185736
O=C(CCCOc1ccc(Cl)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,C01773668_decoy,ITAL,Decoy,0,-7.94829,-8.63,-2.16,-11.582713582319132
S=C(NCCc1ccccc1)N1CCn2cccc2[C@H]1c1ccc(Cl)cc1,C04088094_decoy,ITAL,Decoy,0,-9.38723,-8.02,-1.99,-11.431934785741491
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)c1ccc(F)cc1,C00957040_decoy,ITAL,Decoy,0,-8.7072,-9.64,-2.04,-10.305584014774563
Cc1c(C(=S)Nc2ccc(F)cc2)c2ccccn2c1CCc1ccccn1,C03236019_decoy,ITAL,Decoy,0,-8.27756,-8.48,-1.96,-8.402391762777668
CCc1ccc(NC(=S)N(Cc2ccccn2)Cc2ccccc2Cl)cc1,C03662434_decoy,ITAL,Decoy,0,-8.16714,-9.16,-2.55,-9.085948727102869
Cc1cc(OCCCC(=O)Nc2cccc(Br)c2)ccc1C(C)C,C02609603_decoy,ITAL,Decoy,0,-7.43233,-8.52,-3.11,-8.740962836377946
CN(C(=S)NCc1ccc(F)cc1)[C@@]1(c2ccccc2Cl)CCCCC1=O,C07379286_decoy,ITAL,Decoy,0,-8.57294,-8.29,-2.11,-8.234404817445908
O[C@@H](COc1ccc(Br)cc1)CN(Cc1ccccc1)c1ccccc1,C00938383_decoy,ITAL,Decoy,0,-8.84222,-4.83,-2.85,-5.42413184019166
O=C(Cc1csc(SCc2ccc(F)cc2)n1)Nc1ccc(F)c(F)c1,C08854097_decoy,ITAL,Decoy,0,-8.72784,-4.19,-1.84,-5.118127926801834
CCc1cccc(CC)c1NC(=S)N1CCn2cccc2[C@@H]1c1ccc(F)cc1,C08795503_decoy,ITAL,Decoy,0,-8.3891,-4.52,-3.12,-5.373457697655226
Cc1ccc(NC(=O)Cc2csc(SCc3ccccc3F)n2)c(C)c1,C08939776_decoy,ITAL,Decoy,0,-8.31379,-9.07,-3.23,-8.577011400578993
O=C(CCCSc1ccccc1)Nc1nc2c(cc3c4c(cccc42)CC3)s1,C09473275_decoy,ITAL,Decoy,0,-7.57355,-7.79,-1.89,-6.939066154176135
O=C(CCCSc1nc2ccccc2s1)Nc1ccc(F)c(F)c1F,C02639331_decoy,ITAL,Decoy,0,-7.83272,-7.58,-2.45,-7.693524863918723
O=C(CCSCc1ccccc1)Nc1nc(-c2cccc3ccccc23)cs1,C10613125_decoy,ITAL,Decoy,0,-7.95392,-9.12,-1.93,-12.009852701447825
Cc1cc(-c2cc(F)cc3c2O[C@@H](CNC(=O)CCC(F)(F)F)C3)ccc1F,C12098691_decoy,ITAL,Decoy,0,-5.62333,-10.23,-2.12,-7.389187456868875
O=C(CCCc1ccc(Br)s1)Nc1ccc(-c2nccs2)cc1,C12999804_decoy,ITAL,Decoy,0,-7.12698,-7.33,,99.0
Cc1ccc(Cn2cc(SCC(=O)NCc3ccccc3)c3ccccc32)cc1,C06715225_decoy,ITAL,Decoy,0,-8.49248,-9.42,-1.83,-10.064399704341868
OCc1cnc(SCc2cccc(C(F)(F)F)c2)n1Cc1c(F)cccc1F,C07417652_decoy,ITAL,Decoy,0,-8.69944,-9.44,-3.83,-10.07203907561723
CCCCOc1ccc(C(=O)Nc2ccccc2I)cc1,C14429718_decoy,ITAL,Decoy,0,-7.03585,-7.09,-2.28,-6.923443355834651
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1ccc(C)cc1)N2,C14458758_decoy,ITAL,Decoy,0,-7.89953,-8.49,-3.54,-10.170090420923168
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccccc1C)N2,C14479033_decoy,ITAL,Decoy,0,-8.64856,-9.35,,99.0
CCCN(CCC)C(=O)c1ccc2c(c1)[C@@H]1C=CC[C@@H]1[C@H](c1cccs1)N2,C14548945_decoy,ITAL,Decoy,0,-7.85275,-7.0,-1.66,-9.246813024395736
CCc1ccc(Cl)c(CC)c1NC(=O)Cc1csc(-c2cccs2)n1,C17364126_decoy,ITAL,Decoy,0,-7.81295,-6.72,-2.76,-7.720683665313946
C[C@H](c1ccco1)N(C(=S)Nc1ccc(F)c(Cl)c1)C1CCCCC1,C20688219_decoy,ITAL,Decoy,0,-7.96028,-8.1,-1.52,-9.895483917346738
CCOCCOc1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(SC)cc1)N2,C20759344_decoy,ITAL,Decoy,0,-7.46636,-6.77,-2.22,-6.4503951815772735
O=C(CCc1cccs1)NCc1ccc(-c2ccc(Br)cc2)o1,C22197165_decoy,ITAL,Decoy,0,-8.08217,-6.08,-1.67,-6.01242119446361
CCOc1cc(N[C@@H](C)c2ccc(I)cc2)ccc1OC,C37305764_decoy,ITAL,Decoy,0,-8.33957,-7.15,,99.0
CCOc1cc(N[C@H](C)c2ccc(I)cc2)ccc1OC,C37305765_decoy,ITAL,Decoy,0,-8.40802,-7.61,-2.56,-9.16603574168598
C=C(C)Cn1c(C(=O)NCc2cccc(C(F)(F)F)c2)cc2sc(C)cc21,C37542054_decoy,ITAL,Decoy,0,-7.6349,-8.35,-2.44,-7.108014913365042
Cc1ccc(CCNC(=O)c2ccc(CSCc3ccc(C)cc3)o2)cc1,C02966618_decoy,ITAL,Decoy,0,-6.82789,-7.62,-2.52,-6.383104282973474
CC(C)Sc1ccc(CC(=O)NCCc2csc(-c3cccc(F)c3)n2)cc1,C38667948_decoy,ITAL,Decoy,0,-9.31615,-8.06,-3.8,-9.60343814028277
CC(C)(C)CC(C)(C)NC(=O)COc1ccc(C2SCCCS2)cc1,C58613279_decoy,ITAL,Decoy,0,-8.50552,-5.48,-2.43,-7.782830037374112
Cc1ccsc1/C=N/NC(=O)c1ccc(CSCc2ccccc2)cc1,C58916023_decoy,ITAL,Decoy,0,-8.30491,-6.87,-3.37,-6.560611199286784
COc1ccc(C)cc1NC(=S)N(Cc1ccccc1)C[C@H]1CC=CCC1,C05935516_decoy,ITAL,Decoy,0,-8.53391,-8.35,-2.1,-9.288308541168057
Cc1ccc(CN(Cc2ccco2)C(=S)Nc2ccc(Br)cc2)cc1,C06044346_decoy,ITAL,Decoy,0,-8.42443,-4.32,-1.8,-5.26296877415142
Cc1ccc(NC(=S)N(Cc2cccc(F)c2)Cc2ccco2)c(Cl)c1,C06478171_decoy,ITAL,Decoy,0,-8.72249,-4.45,-4.44,-5.3878207670304095
Cc1ccc(NC(=S)N(C[C@H]2CC=CCC2)C[C@@H]2CCCO2)c(Cl)c1,C06478115_decoy,ITAL,Decoy,0,-9.28597,-8.05,-2.56,-10.23569636532535
Cc1c(Cl)cccc1NC(=S)N(C[C@H]1CC=CCC1)C[C@@H]1CCCO1,C06473210_decoy,ITAL,Decoy,0,-9.9462,-7.78,-1.86,-10.024020382474136
COc1ccccc1NC(=S)N(Cc1ccccc1C)[C@H](C)c1ccccc1,C06632637_decoy,ITAL,Decoy,0,-8.3458,-9.57,-2.02,-11.618852122459334
Cc1cccc(CN(Cc2ccco2)C(=S)Nc2ccc(Cl)c(Cl)c2)c1,C59095556_decoy,ITAL,Decoy,0,-9.36152,-4.48,-1.92,-5.299137939401142
CC(C)(C)c1ccc(CN(Cc2ccco2)C(=S)Nc2ccccc2F)cc1,C59101377_decoy,ITAL,Decoy,0,-9.18833,-8.27,-4.74,-8.376816573817495
CCc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2cc(C)ccc2C)cc1,C05950124_decoy,ITAL,Decoy,0,-9.12864,-9.26,-3.28,-9.345846889813298
COc1ccc(CN(C[C@@H]2CC=CCC2)C(=S)Nc2ccc(F)cc2F)cc1,C59169830_decoy,ITAL,Decoy,0,-9.07829,-8.59,-1.39,-8.74838227624388
C[C@H](c1ccccc1)N(Cc1ccco1)C(=S)Nc1ccc(F)c(Cl)c1,C59170034_decoy,ITAL,Decoy,0,-8.60759,-10.37,-1.96,-9.404146469500338
C[C@H](c1ccccc1)N(Cc1ccco1)C(=S)Nc1ccc(Cl)c(Cl)c1,C59186915_decoy,ITAL,Decoy,0,-9.22426,-9.99,-2.62,-9.462139829592852
Fc1ccc(CN(C[C@@H]2CCCO2)C(=S)Nc2ccc(Cl)c(Cl)c2)cc1,C59188112_decoy,ITAL,Decoy,0,-9.47047,-7.99,-1.86,-10.205235179263784
S=C(NC1CCCCCC1)N(Cc1ccc(Cl)cc1)Cc1cccnc1,C59273501_decoy,ITAL,Decoy,0,-9.06882,-8.44,-2.25,-9.165299717190544
Cc1ccc(NC(=S)N(Cc2ccccc2)Cc2cn(C)c3ccccc23)c(C)c1,C03585982_decoy,ITAL,Decoy,0,-9.1591,-4.85,-2.99,-5.484085654645166
Cc1ccc(NC(=S)N(Cc2cn(C)c3ccccc23)C2CCCC2)cc1C,C04912447_decoy,ITAL,Decoy,0,-8.81589,-8.43,-1.89,-10.44862903697246
CCc1ccc(-c2nc(CN[C@H](c3ccccc3)c3ccccn3)cs2)cc1,C67132671_decoy,ITAL,Decoy,0,-8.31355,-8.59,-3.51,-8.097171388575656
CC1=NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@@H](c2cccc(Cl)c2)C1C(=O)OCCOc1ccccc1,C04067867_decoy,ITAL,Decoy,0,-9.46361,-8.09,-2.44,-8.353419166240613
COc1ccc2c(c1)OC(C)(C)C(c1ccccc1)=C2c1ccc(OCCBr)c([N+](=O)[O-])c1,C01572649_decoy,ITAL,Decoy,0,-8.89749,-5.2,-2.55,-5.494463152981007
CC(C)Cc1nc2sc3c(SCC(=O)c4ccc(Br)cc4)ncnc3c2c2c1CCC2,C02229385_decoy,ITAL,Decoy,0,-9.18688,-7.17,-3.51,-6.562742781440905
CCn1c(SCC(=O)N(c2ccccc2)c2ccccc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,C02256012_decoy,ITAL,Decoy,0,-8.61262,-9.43,-2.33,-8.3739456431186
CCc1cc2c(=O)c(-c3nc4ccccc4s3)coc2cc1OC(=O)N(c1ccccc1)c1ccccc1,C02201644_decoy,ITAL,Decoy,0,-8.42237,-8.84,-2.69,-7.2446776715550065
c1nc(SCc2ccc(CSc3ncnc4sc5c(c34)CCC5)cc2)c2c3c(sc2n1)CCC3,C03371693_decoy,ITAL,Decoy,0,-9.66598,-8.18,,99.0
CCC(=O)OC[C@H](C)CCC1=C(C)[C@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](OC(=O)CC)CC[C@]5(C)[C@@H]4CC[C@@]32C)O1,C12658487_decoy,ITAL,Decoy,0,-8.29742,-6.82,-2.44,-6.755816468330086
Cc1ccc(-n2c(Cc3ccccc3)nnc2SCC(=O)N2c3ccccc3Sc3ccccc32)cc1,C06280008_decoy,ITAL,Decoy,0,-8.76375,-10.89,-4.39,-9.923164053830918
Cc1nn(-c2ccccc2)c2c1[P@@](=S)(OCCOc1ccccc1)OC(c1ccc(Cl)cc1)=N2,C03165824_decoy,ITAL,Decoy,0,-9.2666,-5.78,-2.57,-6.4026031873310165
CC[C@H](C)OC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)c(Cl)c1,C13897638_decoy,ITAL,Decoy,0,-7.85233,-7.06,-1.86,-7.1090264622151365
Cc1ccc(CN2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(Cl)c3)SC2=S)cc1,C16292275_decoy,ITAL,Decoy,0,-8.52002,-7.61,-4.3,-7.754703579917517
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)c1ccc(CC)cc1,C16569452_decoy,ITAL,Decoy,0,-5.9729,-9.14,-2.04,-8.087170612268196
CCOc1ccc(-n2c(SCc3ccc(Br)cc3)nnc2-c2ccc(C(C)(C)C)cc2)cc1,C02444295_decoy,ITAL,Decoy,0,-9.45938,-7.3,-3.98,-7.491656097678964
FC(F)Oc1ccc(-c2cc(-c3ccc(OC(F)F)cc3)n(Cc3cccc(C(F)(F)F)c3)n2)cc1,C22834443_decoy,ITAL,Decoy,0,-8.48143,-10.3,,99.0
COc1ccc(-c2cc(C(F)(F)F)nc(-n3nc(-c4ccc(C)cc4)c(C)c3-c3ccc(C)cc3)n2)cc1,C22838772_decoy,ITAL,Decoy,0,-7.93452,-5.88,-3.51,-5.3467319717218285
CSc1ccc2nc(N(CCc3cccs3)C(=O)c3ccc(C(=O)c4ccccc4)cc3)sc2c1,C22996674_decoy,ITAL,Decoy,0,-8.86166,-6.88,-3.29,-7.012181011856652
O=C(CSC(=S)c1ccc2cc(C(=S)SCC(=O)c3ccccc3)ccc2c1)c1ccccc1,C02519607_decoy,ITAL,Decoy,0,-10.4664,-7.58,-3.47,-10.97787043740627
CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1cccc(Br)c1,C28615425_decoy,ITAL,Decoy,0,-8.41456,-8.07,-2.62,-7.066452972216524
CCCCN1C(=O)/C(=C2/Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccc2nc(C)sc2c1,C28615442_decoy,ITAL,Decoy,0,-8.44318,-7.15,-2.2,-6.767348918061049
CC1=C(C(=O)OCc2ccccc2)[C@@H](c2cccs2)n2c(s/c(=C/c3ccc(C(C)C)cc3)c2=O)=N1,C33692522_decoy,ITAL,Decoy,0,-8.65252,-5.66,-3.49,-5.417904194234839
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(/C#N)c2nc3ccccc3s2)cc1Cl,C35447455_decoy,ITAL,Decoy,0,-8.40956,-8.21,-3.16,-7.338162873632849
CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C\c3cccc(C)c3)C4=O)c2c1,C35550607_decoy,ITAL,Decoy,0,-8.74659,-7.51,-4.01,-7.271656116657817
FC(F)Oc1ccc(-c2nn(Cc3cccc(Cl)c3)c(-c3ccc(OC(F)F)cc3)c2Cl)cc1,C36611630_decoy,ITAL,Decoy,0,-8.73309,-8.8,-4.73,-10.074731704864964
CCCCCCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1,C38594189_decoy,ITAL,Decoy,0,-8.32092,-6.8,-3.46,-6.8593910907626245
O=[N+]([O-])c1ccc(Cl)cc1[C@H]1N=C(c2ccccc2)C(c2ccc(SSc3ccccc3)cc2)=N1,C39550592_decoy,ITAL,Decoy,0,-8.16252,-8.23,-2.02,-8.171264605318799
CCCCCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1,C39825394_decoy,ITAL,Decoy,0,-8.79772,-7.13,-2.34,-8.103529747223861
CCCCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1,C39826410_decoy,ITAL,Decoy,0,-8.82918,-6.63,-2.03,-7.00249732270984
O=C1C[C@H](c2nc3ccccc3n2CCCCOc2ccccc2Cl)CN1c1cccc2ccccc12,C39826891_decoy,ITAL,Decoy,0,-9.20946,-10.19,-2.56,-11.763676807515113
CCCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)c(Cl)c2)cc1,C39878027_decoy,ITAL,Decoy,0,-8.11776,-5.2,-1.96,-5.323473044953314
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(OCCC(C)C)c1)N(c1ccc(C)c(Cl)c1)C3=O,C39878401_decoy,ITAL,Decoy,0,-7.94092,-6.64,-3.68,-6.513350118187905
C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OCC,C39878464_decoy,ITAL,Decoy,0,-8.39685,-5.42,-4.29,-5.261236296974534
CCCCCOc1cccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccccc2Cl)c1,C39911162_decoy,ITAL,Decoy,0,-8.82677,-7.57,-2.1,-8.329990604402264
CCCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1,C39913666_decoy,ITAL,Decoy,0,-9.05843,-5.83,-2.68,-6.554854993254979
CCCCOc1cccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc3ccc(C)cc3s2)c1,C40008433_decoy,ITAL,Decoy,0,-8.33718,-6.47,-2.21,-6.56463451287249
CCC[C@]1(C)Cc2ccccc2-c2nc(SCc3ccccc3F)n(-c3ccc(OCC)cc3)c(=O)c21,C40032776_decoy,ITAL,Decoy,0,-9.96572,-7.74,-2.12,-8.982233839368448
CCCCCCOc1ccc(C(=O)Oc2ccccc2/C=C2\Oc3ccc(Br)cc3C2=O)cc1,C40130212_decoy,ITAL,Decoy,0,-7.73925,-8.53,-2.22,-8.478113170824427
Cc1ccc(C(C)C)c(OCCCCn2c([C@H]3CC(=O)N(c4cccc(C)c4C)C3)nc3ccccc32)c1,C40251776_decoy,ITAL,Decoy,0,-8.03435,-9.75,,99.0
Cc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCCOc3ccc(C(C)(C)C)cc3)CC2=O)c(C)c1,C40252021_decoy,ITAL,Decoy,0,-8.38865,-7.75,-3.33,-7.250593206406176
Cc1ccc(C)c(N2C[C@@H](c3nc4ccccc4n3CCCCOc3ccc(C(C)(C)C)cc3)CC2=O)c1,C40252292_decoy,ITAL,Decoy,0,-9.3957,-7.09,-2.24,-10.287499920029587
CC[C@H](C)c1ccc(OCCCCn2c([C@@H]3CC(=O)N(c4ccc(C)c(C)c4)C3)nc3ccccc32)cc1,C40255453_decoy,ITAL,Decoy,0,-10.1586,-9.52,-4.96,-11.333948244344144
CCc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCCOc3ccc(C(C)(C)C)cc3)CC2=O)cc1,C40257404_decoy,ITAL,Decoy,0,-8.05725,-8.32,-1.64,-8.182779526811704
CC(C)[C@@H]1CC[C@@H](C)C[C@H]1O[C@H]1OC(=O)C(Br)=C1Sc1nnc(-c2cccnc2)s1,C43059811_decoy,ITAL,Decoy,0,-9.43963,-4.99,-3.02,-6.104773477412779
CC(C)(C)c1ccc(/C=C2\S/C(=N/N=C\c3ccc(Br)cc3)N(Cc3ccco3)C2=O)cc1,C47138362_decoy,ITAL,Decoy,0,-8.7197,-7.38,-4.41,-6.694864039224378
CCCCN(CCCC)C(=O)CSc1nc2c(c(=O)n1-c1ccccc1C)C1(CCCCC1)Cc1ccccc1-2,C01868921_decoy,ITAL,Decoy,0,-10.2641,-3.59,-3.87,-6.311081673928093
CCc1ccc(/N=C2\S/C(=C\c3cccn3-c3ccc(N(C)C)cc3)C(=O)N2c2ccc(CC)cc2)cc1,C59104160_decoy,ITAL,Decoy,0,-9.61712,-5.94,-2.29,-6.098372400577003
Cc1ccc(COc2ccc(-c3cc(C(F)(F)F)c4c(C)nn(-c5ccc(C)c(Cl)c5)c4n3)cc2)cc1,C59316681_decoy,ITAL,Decoy,0,-7.05903,-8.99,-2.24,-6.105885551967588
Clc1nc(N=S(c2ccccc2)c2ccccc2)nc(N=S(c2ccccc2)c2ccccc2)n1,C59366329_decoy,ITAL,Decoy,0,-9.03127,-9.35,-2.63,-9.396042303220316
O=[N+]([O-])c1ccc(/C=N/c2ccc3nc(S[C@H](c4ccccc4)c4ccc(Cl)cc4)sc3c2)cc1,C59488355_decoy,ITAL,Decoy,0,-10.372,-8.13,-3.47,-9.668043895429168
COc1cc(C=C2C(=O)OC(c3ccccc3)OC2=O)cc(Br)c1OCc1ccccc1F,C59567456_decoy,ITAL,Decoy,0,-8.04274,-5.81,-2.52,-5.794095505497142
CCn1cc(/C=C2\Oc3cc(OC(=O)c4ccc(C(C)(C)C)cc4)cc(C)c3C2=O)c2cc(OC)ccc21,C41288679_decoy,ITAL,Decoy,0,-8.49605,-7.72,-2.8,-6.413095146893646
O=C(Cc1ccccc1)Nc1nnc(S[C@@H]2C[C@H]3C[NH+](Cc4ccccc4)[C@@H]2[C@@H]3Br)s1,C04288648_decoy,ITAL,Decoy,0,-9.91558,-8.03,-1.44,-9.6498705645139
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(N3CC[NH+](C)CC3)nc12,C02376557_decoy,ITAL,Decoy,0,-9.32587,-5.46,-2.89,-6.069683454422128
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)CC)cc2)sc2c1CC[NH+](Cc1ccccc1)C2,C09384177_decoy,ITAL,Decoy,0,-9.3194,-4.65,-3.63,-5.781349272779049
C[C@H](NS(=O)(=O)c1ccc(Br)cc1)[C@@H](c1cccs1)[NH+]1CCN(c2ccccc2)CC1,C09382623_decoy,ITAL,Decoy,0,-9.49498,-5.3,-3.45,-6.1587231775008
CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(OC)c(OC)c3)[NH2+]2)c1O,C09541381_decoy,ITAL,Decoy,0,-9.9906,-5.25,,99.0
Cc1ccc(Cl)c2sc(N(CCC[NH+](C)C)C(=O)CCCS(=O)(=O)c3ccc(F)cc3)nc12,C09914500_decoy,ITAL,Decoy,0,-8.57646,-7.37,-2.55,-8.58736701963497
Cc1ccc(-c2ccc(C(=O)NC[C@@H]3C[C@H]4C=C[C@@H]3C43CC3)c(N3CCC([NH+]4CCC(O)CC4)CC3)n2)s1,C19955546_decoy,ITAL,Decoy,0,-9.41521,-6.17,-1.41,-7.161733474400851
CC1CC[NH+](Cc2ccc(NC(=O)[C@@H]3c4ccccc4C(=O)N(C4CCCC4)[C@H]3c3cccs3)cc2)CC1,C20508720_decoy,ITAL,Decoy,0,-8.70383,-5.52,-3.51,-6.097404176683947
C=CC[NH+]1CCN(c2nc3sc(C)c(C)c3c(=O)n2CC(=O)Nc2ccc(Br)cc2)CC1,C34748339_decoy,ITAL,Decoy,0,-6.84511,-7.3,-3.04,-5.365308576859333
CCc1c(C)sc2nc(N3CC[NH+](Cc4cc(C)ccc4C)CC3)n(CC(=O)NC3CCCCC3)c(=O)c12,C34749203_decoy,ITAL,Decoy,0,-9.44522,-7.98,-1.96,-7.987468686998318
Cc1ccc(C[NH+]2CCN(c3nc4scc(-c5ccccc5)c4c(=O)n3CC(=O)N(C)C)CC2)c(C)c1,C34749748_decoy,ITAL,Decoy,0,-8.12601,-5.12,-2.12,-5.201345685722263
CC[NH+]1CCN(c2c(CN(CCC(C)C)S(=O)(=O)c3ccc(C)cc3)c(C)nn2-c2ccccc2)CC1,C34832222_decoy,ITAL,Decoy,0,-10.0323,-7.67,-2.26,-9.274707303248988
C[NH+](C)CCN(Cc1ccccc1)C(=O)c1nnc(N2CCN(c3ccccc3F)CC2)c2ccccc12,C34837454_decoy,ITAL,Decoy,0,-8.42612,-5.61,-3.2,-5.221962689946968
COc1ccc(C(=O)N2CC[NH+](CCN(CC3=CC[C@@H]4C[C@H]3C4(C)C)C(=O)c3ccc(F)cc3)CC2)cc1,C35095382_decoy,ITAL,Decoy,0,-8.38195,-7.03,-1.8,-8.348052664447364
Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2nc(C(=O)NCC[NH+]3CCCC3)cs2)cc1,C35343120_decoy,ITAL,Decoy,0,-9.62685,-8.81,-2.61,-11.783059242698029
CC[NH+](CC)CCN1C(=O)c2oc3ccc(Cl)cc3c(=O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1,C35486517_decoy,ITAL,Decoy,0,-8.64167,-7.16,-1.59,-11.316575914615784
COc1ccc(CC[n+]2c(-c3cc4ccccc4o3)csc2Nc2ccc(OC(F)F)cc2)cc1OC,C35518720_decoy,ITAL,Decoy,0,-8.26847,-9.2,-1.63,-8.74833209533217
COc1ccc(-c2csc3nc(C[NH+](C[C@H](O)COc4ccc(Cl)cc4)C(C)C)[nH]c(=O)c23)cc1,C35747430_decoy,ITAL,Decoy,0,-8.60819,-7.75,-1.74,-8.995791942830444
CCc1nc2sc([C@H](c3ccc(Br)cc3)N3CC[NH+](Cc4ccccc4)CC3)c(O)n2n1,C22783461_decoy,ITAL,Decoy,0,-10.1822,-5.47,-2.53,-6.471257012782034
CC(C)C(=O)N(CC[NH+]1CCCC1)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1,C36116627_decoy,ITAL,Decoy,0,-9.21294,-8.45,-1.78,-13.346816968774808
COc1ccccc1-c1csc2nc(C[NH+](C[C@@H](O)COc3ccc(Cl)cc3)C(C)C)[nH]c(=O)c12,C36207133_decoy,ITAL,Decoy,0,-10.0786,-8.21,-3.6,-10.820137267896396
Cc1ccc(-c2csc3nc(C[NH+](C[C@H](O)COc4ccc(Cl)cc4)C(C)C)[nH]c(=O)c23)cc1C,C36207579_decoy,ITAL,Decoy,0,-8.30749,-8.55,-1.79,-10.58686667465722
Cc1ccccc1OC[C@@H](O)C[NH+](Cc1ccccc1)Cc1nc2scc(-c3ccccc3)c2c(=O)[nH]1,C36207608_decoy,ITAL,Decoy,0,-8.16261,-5.92,-1.84,-6.711754946833941
COc1ccc(OC[C@H](O)C[NH+](Cc2nc3sc4c(c3c(=O)[nH]2)CCCCC4)C2CCCCC2)cc1,C36313548_decoy,ITAL,Decoy,0,-9.93536,-7.61,-1.68,-9.31219376912979
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(C)cc3s2)cc1,C36637283_decoy,ITAL,Decoy,0,-9.00607,-7.9,-3.61,-8.00989869589408
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(C)cc(C)cc3s2)cc1,C36637634_decoy,ITAL,Decoy,0,-8.98151,-5.33,-3.58,-6.4758999326275735
Cc1ccc(CO[C@H]2C[C@](OCc3ccc(F)cc3)(C(=O)NCC[NH+](C)C)C[C@H]3OC(C)(C)O[C@@H]23)cc1,C37421248_decoy,ITAL,Decoy,0,-8.33641,-7.42,-1.86,-8.779498975211068
CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CC[NH+](CC)CC2)SC1=S,C33812501_decoy,ITAL,Decoy,0,-9.64654,-6.71,-3.28,-7.977712949556259
CCC(=O)Nc1ccc(S(=O)(=O)N[C@H](C)[C@H](c2cccs2)N2CC[NH+](Cc3ccccc3)CC2)cc1,C38596426_decoy,ITAL,Decoy,0,-8.76337,-8.73,-2.57,-9.031565679771417
C[NH+](C)CCCN(C(=O)c1ccc(S(=O)(=O)N2CCCCC2)cc1)c1nc2c(F)cc(F)cc2s1,C36643790_decoy,ITAL,Decoy,0,-9.01695,-6.01,-3.03,-6.631786109412397
CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccc(Cl)cc1)c1nc2ccc(Cl)cc2s1,C36694356_decoy,ITAL,Decoy,0,-10.0076,-8.06,-3.52,-9.68657958488183
CCOC(=O)c1c(NC(=O)CCCS(=O)(=O)c2ccc(Cl)cc2)sc2c1CC(C)(C)[NH2+]C2(C)C,C38827764_decoy,ITAL,Decoy,0,-9.95768,-7.18,-1.87,-10.398287471372504
CC1(C)C[C@H]2CN(C=[NH+]c3c(C#N)c(-c4ccccc4)c(-c4ccccc4)n3Cc3ccccc3)[C@](C)(C2)C1,C20568384_decoy,ITAL,Decoy,0,-9.67063,-8.8,-1.85,-10.420064330387664
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)C[C@@H]2C=c3cc4c(cc3=[NH+]C2=O)OCCO4)c(C)c1,C39325313_decoy,ITAL,Decoy,0,-8.96673,-5.62,-2.53,-6.78284815654865
CSC1=C[C@H]2C[NH+]3N[P@@](=O)(Cc4ccccc4)OC[C@@H]3C[C@@H]2C=C1S(=O)(=O)Oc1ccccc1,C39466950_decoy,ITAL,Decoy,0,-9.80688,-7.24,-3.63,-7.636564680090638
C[C@@H](CNC(=O)[C@@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2)Oc1ccc(F)cc1,C39596449_decoy,ITAL,Decoy,0,-7.6445,-7.66,-3.54,-6.80473225625023
C[C@@H](CNC(=O)[C@H]1CN(C(=O)c2ccc(-c3ccc(F)cc3)o2)CC12CC[NH2+]CC2)Oc1ccc(F)cc1,C39596454_decoy,ITAL,Decoy,0,-8.21962,-7.45,-3.18,-6.847497556648376
CCc1ccc(CCNC(=O)[C@@H]2CN(C(=O)c3cccc4c3-c3ccccc3C4=O)CC23CC[NH2+]CC3)cc1,C39654239_decoy,ITAL,Decoy,0,-8.86078,-6.89,-2.44,-6.9704397829543465
COc1ccc(OC)c(C(=O)N2C[C@@H](C(=O)N[C@@H](C)c3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)c1,C39657114_decoy,ITAL,Decoy,0,-9.35639,-6.43,-3.6,-8.972851624367646
Cc1ccc(O[C@@H](C)CNC(=O)[C@H]2CN(C(=O)c3ccc(C(F)(F)F)cc3F)CC23CC[NH2+]CC3)cc1,C39666018_decoy,ITAL,Decoy,0,-9.23743,-7.13,-1.85,-8.068244019610148
Cc1ccc(O[C@H](C)CNC(=O)[C@@H]2CN(C(=O)c3ccc(-c4ccccc4F)o3)CC23CC[NH2+]CC3)cc1,C39666237_decoy,ITAL,Decoy,0,-7.86938,-10.1,-3.82,-8.222405882301036
COc1ccc(CC[C@@H](C)NC(=O)[C@H]2CN(C(=O)c3ccc(-c4ccccc4F)o3)CC23CC[NH2+]CC3)cc1,C39675453_decoy,ITAL,Decoy,0,-7.50606,-8.81,,99.0
COc1ccc(C(NC(=O)[C@H]2CN(C(=O)[C@H]3CC=CCC3)CC23CC[NH2+]CC3)c2ccc(OC)cc2)cc1,C39676589_decoy,ITAL,Decoy,0,-9.56859,-8.49,-4.07,-9.596048047532468
CCn1nc(C)c(Br)c1C(=O)N1C[C@H](C(=O)NCCc2cc(C)ccc2C)C2(CC[NH2+]CC2)C1,C39677032_decoy,ITAL,Decoy,0,-7.72459,-7.86,-1.83,-7.386275283967437
CCc1ccc([C@H](C)NC(=O)[C@H]2CN(C(=O)c3cc(OC)ccc3Br)CC23CC[NH2+]CC3)cc1,C39696161_decoy,ITAL,Decoy,0,-9.633,-6.22,-1.71,-6.959817888218725
O=S1(=O)CC[C@@H]([NH+](Cc2ccc(Br)o2)C[C@H](O)COc2ccc(Cl)cc2Cl)C1,C40318050_decoy,ITAL,Decoy,0,-10.5924,-8.31,-1.32,-9.153753268664277
Cc1c(C(N)=O)cc(-c2csc(COc3ccccc3Cl)n2)n1C1CC[NH+](Cc2ccccc2)CC1,C44161409_decoy,ITAL,Decoy,0,-9.07866,-7.13,-3.36,-8.318674936837432
COc1ccc(OC)c([C@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCc4ccc(F)cc4)CC(=O)N32)c1,C63138168_decoy,ITAL,Decoy,0,-7.7475,-7.88,-2.17,-7.78900196366269
COC(=O)c1ccc([C@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCc4ccc(F)cc4)CC(=O)N32)cc1,C63142261_decoy,ITAL,Decoy,0,-7.82157,-7.53,-2.13,-6.640294661001966
Cc1ccc(C)c(CN2C(=O)c3ccccc3[S@@+]([O-])c3ccc(C(=O)NCC[NH+]4CCCC[C@@H]4C)cc32)c1,C36091457_decoy,ITAL,Decoy,0,-7.41381,-6.89,-2.36,-6.39862216230922
CCSCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccc(OC)cc1,C04068325_decoy,ITAL,Decoy,0,-10.2857,-4.48,-2.3,-7.055718505343742
CC(=O)OC[C@H](C)CCC1=C(C)[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC(=O)[C@]23C)O1,C05225038_decoy,ITAL,Decoy,0,-8.38544,-5.88,-3.28,-6.829426320121832
O=C(COC(=O)c1ccc(S(=O)(=O)N2CCCc3ccccc32)cc1)c1ccc(-c2ccccc2)cc1,C03271940_decoy,ITAL,Decoy,0,-7.66976,-8.04,-3.57,-5.953736910678728
CCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(Cl)c(Cl)c1,C06194407_decoy,ITAL,Decoy,0,-10.4184,-8.46,-1.5,-13.2373256250678
CCSCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(C(F)(F)F)cc1,C08439856_decoy,ITAL,Decoy,0,-10.6126,-8.21,-3.66,-12.496850882314552
CCCCN1C(=O)/C(=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S,C02201967_decoy,ITAL,Decoy,0,-10.6339,-7.88,-3.99,-9.342618948859592
Cc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc12,C09541122_decoy,ITAL,Decoy,0,-9.03425,-9.83,-1.64,-11.612209132397728
CSc1ccc2nc(N(CCc3cccs3)C(=O)CCS(=O)(=O)c3ccc(C)cc3)sc2c1,C10097863_decoy,ITAL,Decoy,0,-10.2981,-7.39,-2.77,-9.024506644993927
CN(C1CC1)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3c(F)cc(F)cc3s2)cc1,C10100020_decoy,ITAL,Decoy,0,-8.94469,-6.0,-2.65,-6.399827018910579
COc1ccc(SCCCC(=O)N(C[C@H]2CCCO2)c2nc3ccc(Br)cc3s2)cc1,C11139375_decoy,ITAL,Decoy,0,-8.63491,-7.05,-2.07,-9.668519546326957
CC(=O)OC[C@H](C)CCC1=C(C)[C@@H]2[C@@H](C[C@@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O1,C12658792_decoy,ITAL,Decoy,0,-8.21551,-5.56,-3.1,-5.958884822015521
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)cc1,C02198802_decoy,ITAL,Decoy,0,-8.43806,-5.45,-3.27,-5.876548822184332
CC[C@@H](C)N(CC(=O)N(Cc1cccn1Cc1ccc(F)cc1)C1CCCCC1)C(=O)c1ccc(C)cc1,C16458265_decoy,ITAL,Decoy,0,-8.38206,-7.81,-3.97,-7.998189503403577
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S,C16732639_decoy,ITAL,Decoy,0,-8.61399,-5.81,-3.73,-6.875858249798908
CC(=O)OC[C@@H](C)CCC1=C(C)[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC(=O)[C@]23C)O1,C19927702_decoy,ITAL,Decoy,0,-8.53884,-7.19,-3.0,-6.475601414826015
CC(=O)OC[C@H](C)CCC1=C(C)[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC(=O)[C@]23C)O1,C19927706_decoy,ITAL,Decoy,0,-8.13721,-5.85,-2.54,-6.597807787589766
CC(=O)OC[C@@H](C)CCC1=C(C)[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O1,C19927709_decoy,ITAL,Decoy,0,-8.86604,-6.38,-1.79,-5.986713356836199
CC(=O)OC[C@H](C)CCC1=C(C)[C@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC(=O)[C@@]32C)O1,C19927712_decoy,ITAL,Decoy,0,-8.88142,-6.09,-2.51,-6.133177160686924
COc1ccc2c(C)c(CC(=O)N3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)c(=O)oc2c1,C20588604_decoy,ITAL,Decoy,0,-8.42759,-10.03,-1.57,-7.947552300722697
Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2ccc(C)cc2C)cc1,C22275347_decoy,ITAL,Decoy,0,-9.71705,-8.48,-3.09,-9.49247787644989
Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(C(=O)c1cccc(Br)c1)C1CC1,C00696245_decoy,ITAL,Decoy,0,-9.86605,-8.39,-3.72,-10.696173372036595
CCCCN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)c1cccc(Br)c1,C33535512_decoy,ITAL,Decoy,0,-8.88885,-8.51,-3.81,-8.907155407807087
COc1ccc(CCN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@H]2c2ccc(SC)cc2)cc1OC,C02351244_decoy,ITAL,Decoy,0,-8.13052,-6.64,-2.41,-6.919737526057342
Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(C1CCCCC1)S(=O)(=O)c1ccccc1,C34847964_decoy,ITAL,Decoy,0,-9.58386,-8.88,-2.7,-8.98407561448277
COCCN(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)C(=O)C12CC3CC(CC(C3)C1)C2,C34860682_decoy,ITAL,Decoy,0,-8.24638,-7.59,-4.39,-7.071677132501997
CCOc1ccccc1-n1c([C@@H](C)N(CC)C(=O)c2cccc(Br)c2)nc2ccccc2c1=O,C35092786_decoy,ITAL,Decoy,0,-7.09384,-6.13,-3.01,-6.420769667894973
CC(=O)OC[C@H](C)CCC1=C(C)[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC(=O)[C@]23C)O1,C35361344_decoy,ITAL,Decoy,0,-8.52742,-8.01,-2.63,-9.914160928644993
CC(=O)OC[C@H](C)CCC1=C(C)[C@@H]2[C@@H](C[C@H]3[C@@H]4CC[C@H]5C[C@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC(=O)[C@]23C)O1,C35361346_decoy,ITAL,Decoy,0,-8.36046,-5.73,-2.43,-5.8304164665142135
O=C(c1ccc(-c2ccccc2)cc1)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccco1)C1CC1,C35706919_decoy,ITAL,Decoy,0,-7.63623,-10.19,-3.53,-8.356714685514394
Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(C(=O)c1cccc2ccccc12)C1CCCCC1,C35774150_decoy,ITAL,Decoy,0,-9.95902,-9.87,,99.0
CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccc(C)s1)C(=O)c1cccc(Br)c1,C35808192_decoy,ITAL,Decoy,0,-10.0746,-8.22,-2.12,-11.6751726042761
CC(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(Oc2ccccc2)c1)C(=O)c1cccc(F)c1,C33851285_decoy,ITAL,Decoy,0,-8.56078,-5.68,-2.72,-5.988228861150403
CC(C)C(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCSCC4)o3)cc2[C@H]1c1ccc(F)cc1,C35863009_decoy,ITAL,Decoy,0,-9.63779,-9.35,-1.91,-10.711020023669532
CC[C@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccc(F)cc1,C36121652_decoy,ITAL,Decoy,0,-8.8424,-8.95,,99.0
CCN(C)C(=O)c1csc(COc2ccc3c(c2)[C@H](c2ccc(C)cc2)N(C(=O)C2CCCC2)CC3)n1,C37603731_decoy,ITAL,Decoy,0,-9.49157,-6.82,,99.0
CC(C)(C)c1ccccc1OCCCCn1c([C@@H]2CC(=O)N(c3ccccc3Cl)C2)nc2ccccc21,C38586846_decoy,ITAL,Decoy,0,-8.35708,-7.57,-2.89,-7.57899880799946
CCCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OCC,C38593885_decoy,ITAL,Decoy,0,-9.35558,-6.43,-3.03,-7.628773075368002
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(C)c2N2C[C@@H](C)C[C@H](C)C2)SC1=S,C39769156_decoy,ITAL,Decoy,0,-9.60042,-6.13,-3.96,-7.766787406119127
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(Oc3ccc(F)cc3)nc12,C39835974_decoy,ITAL,Decoy,0,-9.85384,-9.63,-4.22,-8.56276402582672
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)c1,C39850220_decoy,ITAL,Decoy,0,-8.29855,-6.37,-3.33,-6.072951414952065
CCOc1cc(/C=C2\S/C(=N\c3nc(C)cs3)N(CC)C2=O)ccc1OCc1ccc(Cl)cc1,C39865277_decoy,ITAL,Decoy,0,-9.25224,-6.33,-2.95,-6.828252972355943
CCCCn1c(N2C[C@H](C)C[C@@H](C)C2)c(/C=C2\SC(=S)N(C3CCCC3)C2=O)c(C)c(C#N)c1=O,C39990503_decoy,ITAL,Decoy,0,-7.66737,-4.93,-3.37,-5.547775107289866
CCCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(OCC(C)C)c(OC)c1,C40021518_decoy,ITAL,Decoy,0,-8.68311,-6.22,-1.46,-7.345695026923686
CCCOc1ccc([C@@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OCC,C40065782_decoy,ITAL,Decoy,0,-8.23874,-6.5,-2.46,-6.628249536315924
CC(C)CCN([C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1,C35065688_decoy,ITAL,Decoy,0,-6.98292,-6.78,-3.03,-8.217459520855787
Cc1ccccc1OCCCCn1c([C@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21,C40252724_decoy,ITAL,Decoy,0,-8.72423,-5.89,-3.42,-5.749833070869137
CC(=O)OC[C@H](C)CCC1=C(C)[C@@H]2[C@H](C[C@H]3[C@@H]4CC[C@@H]5C[C@H](OC(C)=O)CC[C@@]5(C)[C@@H]4CC(=O)[C@@]23C)O1,C43736841_decoy,ITAL,Decoy,0,-8.76911,-7.73,-3.26,-7.262591320885146
CCOC(=O)C1=C[C@]2(SC=C(C(=O)OCC)S2)C2=C(S1)C(C)(C)N(C(C)=O)c1c(C)cc(C)cc12,C01895909_decoy,ITAL,Decoy,0,-4.96789,-4.11,-1.98,-3.133630269817605
CCOc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C(C)(C)C)cc4)c3C)C(=O)N(C)C2=S)cc1,C59594678_decoy,ITAL,Decoy,0,-7.96301,-4.24,-2.98,-4.592098088941894
Cc1ccc(-n2c(SCC3=NC(=O)C4=C(c5ccccc5)CSC4=N3)nnc2-c2ccccc2)cc1C,C39945168_decoy,ITAL,Decoy,0,-9.97986,-11.07,-3.89,-10.255211183692508
CCOC(=O)c1c(NC(C)=O)sc2c(OCC(=O)c3ccc(Br)cc3)c(Br)ccc12,C01890260_decoy,ITAL,Decoy,0,-9.67222,-7.49,-2.17,-11.018319655692274
CCN(CC)c1ccc([C@H]2C3=C(C[C@@H](c4ccco4)CC3=O)Nc3ccccc3N2C(=O)c2ccccc2)cc1,C00672195_decoy,ITAL,Decoy,0,-8.19713,-5.01,-3.56,-5.618840007864204
C[C@H](C(=O)N(C)Cc1ccccc1)[C@@H]1CC[C@@]2(C)Cc3sc(CS(=O)(=O)c4ccc(Cl)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C04221976_decoy,ITAL,Decoy,0,-8.5792,-8.08,-2.92,-6.733943855346014
COC(=O)c1c(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)sc2c1CC[C@@H](C(C)(C)C)C2,C02087951_decoy,ITAL,Decoy,0,-9.41841,-6.29,-1.54,-9.858314240839404
Cc1ccc(NC(=O)CSc2nc(-c3cccs3)cc(-c3ccc(F)cc3)c2C#N)c(I)c1,C01872626_decoy,ITAL,Decoy,0,-11.0999,-8.56,,99.0
COc1ccc(NC(=O)[C@]2(N(Cc3ccccc3)C(=O)Cc3ccccc3)CC[C@@H]3Cc4ccccc4C[C@H]3C2)c(OC)c1,C08748778_decoy,ITAL,Decoy,0,-9.26784,-10.09,-3.79,-10.315764125674386
COc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccccc3)nc3c(c2=O)C2(CCCCC2)Cc2ccccc2-3)cc1,C03771705_decoy,ITAL,Decoy,0,-10.5427,-6.17,-3.17,-7.956094441631851
COc1ccc(CCC(=O)N[C@@]2(C(F)(F)F)C(=O)N([C@H]3CCC[C@@H](C)[C@H]3C)C3=C2C(=O)CC(C)(C)C3)cc1,C09216475_decoy,ITAL,Decoy,0,-7.65939,-8.7,-1.97,-8.237927156364558
CCc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(I)cc3)C2=O)cc1,C01756170_decoy,ITAL,Decoy,0,-8.10725,-8.08,-2.77,-7.562953542549056
CC[C@@H](C)c1ccc(N(C(=O)c2sc(C)nc2C)[C@@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1,C12485394_decoy,ITAL,Decoy,0,-10.1802,-8.0,-3.91,-10.627679057431395
CC[C@@H](C)c1ccc(N(C(=O)c2sc(C)nc2C)[C@H](C(=O)NC2CCCCC2)c2ccc(OC)cc2)cc1,C12485407_decoy,ITAL,Decoy,0,-9.01638,-8.48,-2.49,-9.92704052671369
FC(F)(F)c1cnc(CO/N=C\c2cn(-c3ncc(C(F)(F)F)cc3Cl)c3ccccc23)c(Cl)c1,C12961255_decoy,ITAL,Decoy,0,-9.45643,-7.89,-1.69,-7.531888656649056
CCCc1ccc(C(=O)[C@H]2[C@H](C(=O)C(C)(C)C)N3c4ccccc4C(C)=C[C@H]3[C@@]23C(=O)Nc2ccccc23)cc1,C16033533_decoy,ITAL,Decoy,0,-8.68658,-5.8,-2.99,-6.570563125004746
Cc1cc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Br)c2)ccc1OCC(C)C,C09270985_decoy,ITAL,Decoy,0,-9.40316,-8.05,-3.76,-8.787506012528496
Cc1cc(OCC(C)C)ccc1C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Br)cc1,C08903215_decoy,ITAL,Decoy,0,-9.06238,-7.21,-4.16,-8.226354808952744
CC(C)OC(=O)c1c(NC(=O)c2cc(-c3ccccc3OC(C)C)nc3ccccc23)sc2c1CCCC2,C02759001_decoy,ITAL,Decoy,0,-10.2624,-8.67,-4.22,-9.074112977772726
CCOC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@H]1c1ccc(OC)c(COc2ccc(F)cc2Cl)c1,C02108497_decoy,ITAL,Decoy,0,-8.16627,-7.56,-1.99,-8.622175805481227
CCCOc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(Br)c(OCC)c(OC)c2)cc1,C20885544_decoy,ITAL,Decoy,0,-8.78513,-3.98,-3.31,-5.486227556272489
CCc1ccc(CN2C(=O)c3c(-n4cccc4)c4cc(C)ccc4n3C[C@]2(C)C(=O)NC2CCC(C)CC2)cc1,C21161570_decoy,ITAL,Decoy,0,-8.38326,-4.75,-3.84,-6.475272347446887
COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2ccc(OCC(C)C)cc2)C3)cc(Br)c1OC,C21258842_decoy,ITAL,Decoy,0,-9.34333,-6.22,-3.81,-7.805952786055879
CCOc1ccc(NC(=O)N2Cc3c(sc4c3CCCC4)-n3cccc3[C@@H]2c2ccc(OCC)cc2)cc1,C21539215_decoy,ITAL,Decoy,0,-8.02322,-5.36,-3.88,-5.6400864975371405
CSc1ccc(S(=O)(=O)N(CC(=O)N[C@H]2CC(C)(C)Oc3ccc(C)cc32)c2cccc(F)c2)cc1,C22426493_decoy,ITAL,Decoy,0,-9.38458,-9.23,-2.1,-9.267422993148797
Cc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(F)cc4)S3)[C@@H](c3ccc(C(C)C)cc3)C2)cc1,C28156247_decoy,ITAL,Decoy,0,-8.75082,-6.35,-3.33,-6.116074819448724
CC[C@@H](C)CN(CC(=O)N(Cc1ccccc1)Cc1cccs1)C(=O)Nc1ccc(Br)cc1,C34863932_decoy,ITAL,Decoy,0,-8.80062,-8.21,-2.58,-8.423770349923668
Cc1ccc(S(=O)(=O)N2CCN(CCN(CC3=CC[C@@H]4C[C@H]3C4(C)C)C(=O)Cc3ccccc3)CC2)cc1,C35095548_decoy,ITAL,Decoy,0,-9.9254,-7.87,-3.65,-8.150155145052935
CC(C)CC(=O)N1CCN(CCN(CC2=CC[C@H]3C[C@@H]2C3(C)C)C(=O)Nc2ccc(Cl)c(Cl)c2)CC1,C35097111_decoy,ITAL,Decoy,0,-10.2619,-6.22,-2.07,-8.384708179110913
CCCCOc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@@H]2c2ccc(C)cc2)C(C)C)cc1,C35706999_decoy,ITAL,Decoy,0,-7.54581,-7.39,-3.17,-7.038914442957962
Cc1ccc(CN(Cc2ccccc2)C(=O)CN(CC(C)C)C(=O)Nc2ccccc2Br)s1,C35804852_decoy,ITAL,Decoy,0,-10.0389,-9.21,-3.86,-10.49406954986369
Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(C)o2)C(=O)/C(=C/c2ccccc2)c2ccccc2)c(C)c1,C36555351_decoy,ITAL,Decoy,0,-8.63406,-8.63,-3.57,-10.816436428798784
C=C(C)C(=O)N(CCC)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1cc2ccccc2c2ccccc12,C36576398_decoy,ITAL,Decoy,0,-8.55311,-9.84,-2.44,-11.67026128186544
CC[C@H](C(=O)N([C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1)C(C)(C)C)c1ccccc1,C36583351_decoy,ITAL,Decoy,0,-8.14816,-9.18,-4.16,-9.055129917750808
Cc1ccc([C@H](C(=O)NCS(=O)(=O)c2ccc(C)cc2)N(C(=O)C[C@@H](C)c2ccccc2)C(C)(C)C)cc1,C36588312_decoy,ITAL,Decoy,0,-8.05679,-9.53,-2.56,-9.46588354780042
CCCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccccc2Cl)SC1=S,C39851439_decoy,ITAL,Decoy,0,-9.39221,-4.82,-2.16,-6.395855933136908
CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CCC)c2NCc2ccccc2Cl)SC1=S,C39851712_decoy,ITAL,Decoy,0,-9.7887,-7.12,-2.87,-11.28792423966837
CCCCn1c(NCc2ccccc2Cl)c(/C=C2/SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O,C39851795_decoy,ITAL,Decoy,0,-9.25795,-7.44,-2.14,-8.797783265171498
CCCCn1c(NCc2ccccc2Cl)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O,C40067058_decoy,ITAL,Decoy,0,-9.67991,-4.54,-3.29,-5.791407898720305
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@@H]3c2ccc(F)cc2)cc1OC,C00648357_decoy,ITAL,Decoy,0,-8.21276,-8.1,-2.51,-9.950681402143523
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(F)c(Br)c1,C00781335_decoy,ITAL,Decoy,0,-7.91354,-8.34,-2.0,-7.368909197817424
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(Br)cc(C)cc1Br,C01235479_decoy,ITAL,Decoy,0,-8.90769,-8.46,-3.73,-8.005762897708268
C=CCn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1cccnc1,C01238748_decoy,ITAL,Decoy,0,-9.3854,-6.92,-3.46,-7.477247638050743
Cc1ccc(-n2c(SCC(=O)N[C@H](C)CCc3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1,C01803149_decoy,ITAL,Decoy,0,-8.89322,-8.41,-2.92,-8.081366167161967
CC1(C)Cc2c(sc3nc(SCC(=O)NC(c4ccccc4)c4ccccc4)n(-c4ccccc4)c(=O)c23)CS1,C01805972_decoy,ITAL,Decoy,0,-9.03014,-8.52,-2.51,-8.177046141366665
COc1ccc(NC(=O)CSc2nc3c(c(=O)n2CCc2ccccc2)C2(CCCCC2)Cc2ccccc2-3)cc1,C01818306_decoy,ITAL,Decoy,0,-7.23255,-5.28,-2.69,-5.498907159703636
C=CCOc1ccc([C@H]2Oc3c(Br)cc(Br)cc3[C@@H]3C=C(c4ccc(OC)cc4)NN23)cc1,C01857235_decoy,ITAL,Decoy,0,-8.86701,-4.66,-1.54,-5.742376219931174
O=P(Oc1ccccc1)(Oc1ccccc1)[C@H](Nc1ccccc1I)c1ccccc1F,C01871769_decoy,ITAL,Decoy,0,-8.12326,-9.09,-3.04,-8.852557613507019
COc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3C)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1,C01887727_decoy,ITAL,Decoy,0,-8.42441,-5.82,-2.99,-5.8256590150027545
C=C(C)Cn1c(SCC(=O)c2cc3ccccc3oc2=O)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,C02401795_decoy,ITAL,Decoy,0,-7.95241,-9.17,-2.7,-7.197134251574331
O=C1/C(=C\Nc2cc(C(F)(F)F)ccc2Cl)c2ccccc2C(=O)N1OCc1ccc(Cl)cc1Cl,C03052622_decoy,ITAL,Decoy,0,-8.56981,-9.72,-3.78,-7.738925115502287
CCOC(=O)c1c(NC(=O)CN2CCn3c4c(c5cc(C6CCCCC6)ccc53)CCC[C@@H]42)sc(C)c1C,C57050639_decoy,ITAL,Decoy,0,-9.58801,-8.5,-3.86,-10.298643775317291
CCn1cc(/C=C2\Oc3c(cc4c(c3C)OCN(CCc3ccc(Cl)cc3)C4)C2=O)c2cc(OC)ccc21,C41589198_decoy,ITAL,Decoy,0,-9.93214,-8.77,-2.93,-7.336840197224207
CC(C)OC(=O)c1c(C(=O)OC(C)C)c2c3ccccc3ccn2c1C(=O)c1ccc(Br)cc1,C04542399_decoy,ITAL,Decoy,0,-7.60216,-9.14,-1.36,-9.08503505215431
Cc1ccc(C)c(S(=O)(=O)N(Br)CCN(Br)S(=O)(=O)c2cc(C)ccc2C)c1,C04293395_decoy,ITAL,Decoy,0,-7.4408,-7.61,-2.08,-8.640913843147889
COc1ccc([C@H]2C(C(C)=O)=C(C)N=c3s/c(=C/c4cc(C(C)C)c(OC)cc4C)c(=O)n32)c(OC)c1,C02186240_decoy,ITAL,Decoy,0,-8.94786,-8.01,-4.09,-9.782244772341336
CSC(=Nc1nc2ccc(S(=O)(=O)c3ccc4nc(N=C(SC)SC)sc4c3)cc2s1)SC,C04293387_decoy,ITAL,Decoy,0,-10.0748,-4.2,-1.84,-6.628682626443386
CCN(CC)c1ccc(C(c2c(C)n(C)n(-c3ccccc3)c2=O)c2c(C)n(C)n(-c3ccccc3)c2=O)cc1,C08694240_decoy,ITAL,Decoy,0,-7.99776,-6.47,-2.95,-6.771339822305786
CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S,C08769729_decoy,ITAL,Decoy,0,-10.203,-5.11,-2.41,-7.049877751447166
COc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)N=C(C)C2C(=O)OC2CCCC2)c(OC)c1OC,C08856913_decoy,ITAL,Decoy,0,-9.07595,-3.82,-1.65,-5.580429299204066
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3c(C)cccc3s2)cc1,C10527915_decoy,ITAL,Decoy,0,-8.55587,-7.8,-3.87,-9.645973830432244
CCOC(=O)[C@@H]1C(=O)C2=C(C[C@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1ccc(OC)cc1,C12413068_decoy,ITAL,Decoy,0,-9.13918,-5.34,-1.74,-6.039201139065922
CCOCCCn1c(CC)nc2c(c1=O)c1nc3ccccc3nc1n2-c1ccc(Br)c(C)c1,C06150796_decoy,ITAL,Decoy,0,-9.32158,-4.77,-1.8,-5.659793618575071
Cc1cccc(C)c1-n1c(SCC(=O)c2ccccc2F)nnc1-c1cccc(S(=O)(=O)N(C)C)c1,C03253833_decoy,ITAL,Decoy,0,-8.81984,-8.95,,99.0
COc1ccc(-n2c(C)cc(C(=O)COC(=O)c3c4c(nc5ccccc35)CC[C@H](C(C)(C)C)C4)c2C)cc1,C02637223_decoy,ITAL,Decoy,0,-9.1248,-6.65,-2.23,-8.03543007206302
COCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)c(C)c2)SC1=S,C13619055_decoy,ITAL,Decoy,0,-8.797,-6.56,-2.75,-7.0285088529696464
c1ccc([C@H](c2ccc(CCCCc3ccc([C@@H](c4ccccc4)n4cncn4)cc3)cc2)n2cnnc2)cc1,C15774033_decoy,ITAL,Decoy,0,-7.86368,-9.59,-3.24,-7.882018945998305
CCc1ccc(C(=O)N(Cc2ccco2)[C@H](CC)c2nc3ccccc3c(=O)n2-c2ccc(CC)cc2)cc1,C16430143_decoy,ITAL,Decoy,0,-6.97068,-8.5,-2.03,-8.39019197640434
CC[C@@H](C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)c1cccc(Br)c1,C16497417_decoy,ITAL,Decoy,0,-8.38432,-7.68,-2.9,-10.323747944058498
C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1,C16504257_decoy,ITAL,Decoy,0,-4.88151,-7.62,-2.38,-6.015319280597297
CCCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)C(=O)c1cc(OC)cc(OC)c1,C16530797_decoy,ITAL,Decoy,0,-9.10355,-7.43,-3.43,-10.442162256815106
COc1ccc(-c2cc(C(=O)N(C)CCc3ccc(OC)c(OC)c3)c(C)n2-c2ccc(F)cc2F)cc1,C16532079_decoy,ITAL,Decoy,0,-8.14912,-7.25,-1.75,-6.90359399470808
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(OC)cc1,C16569115_decoy,ITAL,Decoy,0,-6.43863,-4.81,-2.05,-5.278779058067652
CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)cc2)SC1=S,C16791062_decoy,ITAL,Decoy,0,-8.35824,-6.21,-3.98,-7.643593587528979
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccc(F)cc3)CC(=O)[C@@H]2[C@H]1c1cccc([N+](=O)[O-])c1,C01828834_decoy,ITAL,Decoy,0,-7.98756,-5.76,-2.66,-6.404952780482995
O=C1/C(=C\c2cn(-c3ccccc3)nc2-c2cccs2)C(CSc2ccccn2)=NN1c1ccccc1,C27018097_decoy,ITAL,Decoy,0,-9.55648,-7.94,-3.92,-8.442670706081959
CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(N3C[C@@H](C)O[C@@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S,C33444781_decoy,ITAL,Decoy,0,-10.311,-7.3,-3.47,-9.229619049206276
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1,C34106207_decoy,ITAL,Decoy,0,-8.93754,-6.02,-3.9,-7.400698789904432
Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(CC(C)C)C(=O)c1cccc(C(F)(F)F)c1,C34889663_decoy,ITAL,Decoy,0,-7.8539,-8.7,-3.19,-10.699464846632932
COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)ccc1OCCC(C)C,C35512465_decoy,ITAL,Decoy,0,-8.59934,-4.91,-3.45,-6.018013715853704
CCOC(=O)c1ccc(/N=C2/S/C(=C\c3cc(OC)c(OCC)cc3Br)C(=O)N2C)cc1,C35656320_decoy,ITAL,Decoy,0,-8.0425,-6.81,-2.34,-10.3763892474083
CCCCOc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)C2CC2)cc1,C35707099_decoy,ITAL,Decoy,0,-5.89585,-8.43,-2.75,-7.162378647684519
Cc1ccc(C(=O)N(CCC(C)C)CC(=O)N(Cc2ccccc2)Cc2coc3ccc(C)cc3c2=O)cc1,C35829279_decoy,ITAL,Decoy,0,-8.13439,-9.36,-4.27,-8.289511820185021
CCN(Cc1nn(-c2ccccc2)c2c1CN(Cc1cc(F)ccc1F)CC2)S(=O)(=O)c1ccccc1,C35887340_decoy,ITAL,Decoy,0,-8.91589,-6.43,-1.7,-7.078132940034945
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc(OC)cc1,C36116765_decoy,ITAL,Decoy,0,-9.10341,-7.68,-4.02,-8.341241339650718
Cc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)sc2c1,C11066529_decoy,ITAL,Decoy,0,-8.44277,-9.03,-2.83,-10.157883378894647
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)sc2c(C)cc(C)cc21,C36631503_decoy,ITAL,Decoy,0,-8.63419,-8.27,-2.69,-7.526208206505533
CCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OCC,C08590206_decoy,ITAL,Decoy,0,-8.51688,-5.41,-1.61,-6.927309774084056
CCCCCCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1,C38648944_decoy,ITAL,Decoy,0,-8.59209,-5.16,-3.04,-6.566642586330119
CCCCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1,C38649118_decoy,ITAL,Decoy,0,-7.6783,-5.85,-3.19,-6.473944039237635
O=S(=O)(Oc1ccccc1)[C@H]1CC[C@@]2(C1)[C@H](Cc1ccccc1)CCCN2S(=O)(=O)c1ccccc1,C39519695_decoy,ITAL,Decoy,0,-9.3931,-8.32,-4.03,-10.04047906937767
CCCCn1c(N2CCCCC2)c(/C=C2/SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O,C39770513_decoy,ITAL,Decoy,0,-8.99703,-4.82,-3.13,-5.884584103214446
CCCCn1c(N2C[C@H](C)C[C@H](C)C2)c(/C=C2/SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O,C39770680_decoy,ITAL,Decoy,0,-8.63592,-4.73,-3.19,-5.882909769827269
CCCCCOc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)c1,C39839858_decoy,ITAL,Decoy,0,-9.04858,-9.21,-4.7,-8.827891409560516
CC(C)CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)c1,C39840664_decoy,ITAL,Decoy,0,-10.6721,-4.65,-3.18,-6.9883358710527785
CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C,C39911012_decoy,ITAL,Decoy,0,-8.71512,-5.96,-2.16,-6.6675297886185385
CCCOc1ccc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1OCC,C40045256_decoy,ITAL,Decoy,0,-9.80277,-6.52,-4.12,-7.353231045616897
CCCCOc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1OCC,C40056591_decoy,ITAL,Decoy,0,-9.34204,-4.55,-3.54,-5.481802206009802
CCCCCOc1ccc([C@@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2nccs2)cc1OCC,C40065940_decoy,ITAL,Decoy,0,-8.42636,-4.99,-2.0,-7.322777545586826
CCOc1cc([C@@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C,C40065942_decoy,ITAL,Decoy,0,-8.12035,-6.35,-2.13,-7.505297889488162
CCCN(CCC)C(=O)CSc1nc2ccc(I)cc2c(=O)n1-c1ccc(OC)cc1,C01270787_decoy,ITAL,Decoy,0,-8.98027,-7.62,-1.75,-8.354670767316613
C=CCn1c(SCc2ccc(C(F)(F)F)cc2)nnc1-c1cccn(Cc2ccc(Cl)cc2Cl)c1=O,C03133780_decoy,ITAL,Decoy,0,-8.57776,-5.99,-3.55,-6.052461471309959
C=CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)sc2ccc(Cl)c(C)c21,C09832276_decoy,ITAL,Decoy,0,-9.2815,-7.21,-2.25,-10.08293544589455
CCCS(=O)(=O)c1c(S(=O)(=O)CCC)c2cc(-c3ccncc3)ccn2c1C(=O)c1ccc(C)cc1,C00783589_decoy,ITAL,Decoy,0,-9.6217,-8.4,-1.62,-12.116499924973835
CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C(C)=O)c3ccc(OCC)cc32)S1,C06631056_decoy,ITAL,Decoy,0,-8.10486,-7.02,-3.76,-7.72695638006561
CCOC(=O)c1c(/N=C/c2cc(Br)ccc2OC(C)=O)sc(C)c1-c1ccc2cc(OC)ccc2c1,C01876438_decoy,ITAL,Decoy,0,-9.64737,-5.49,-3.0,-7.42024111302047
CC(=O)Oc1ccc([C@H]2C3=C(C[C@H](c4ccccc4)CC3=O)N=C(C)C2C(=O)OCCc2ccccc2)cc1,C09113218_decoy,ITAL,Decoy,0,-9.53718,-6.16,-2.85,-6.813099375787035
CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3cc(C)cc(C)c3s2)cc1,C09273930_decoy,ITAL,Decoy,0,-9.20831,-8.54,-3.58,-9.7294244923214
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3c(F)cccc3s2)cc1,C09524849_decoy,ITAL,Decoy,0,-8.71719,-7.27,-3.16,-10.698471292415418
CCOc1cc(/C=C2\SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCOc1cc(C)ccc1C,C09957705_decoy,ITAL,Decoy,0,-8.82431,-8.09,-3.21,-7.522216814474401
COc1ccc([C@H]2CC(=O)C3=C(C2)N=C(C)C(C(=O)OCCOc2ccccc2)[C@H]3c2cccc(F)c2)cc1,C08985459_decoy,ITAL,Decoy,0,-9.43281,-5.89,-2.85,-6.104474824382911
COc1ccc(SCC(=O)N(CCc2cccs2)c2nc3c(S(C)(=O)=O)cccc3s2)cc1,C10097659_decoy,ITAL,Decoy,0,-9.33057,-7.73,-4.33,-8.234598645748953
O=S(=O)(Oc1ccc(Oc2ncc(C(F)(F)F)cc2Cl)cc1S(=O)(=O)c1ccccc1)c1ccc(Cl)cc1,C12960439_decoy,ITAL,Decoy,0,-9.24047,-8.09,-4.16,-7.85388262214699
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3)c(=O)n2[C@H]1c1ccc(N(C)C)cc1,C02055758_decoy,ITAL,Decoy,0,-9.20806,-6.72,-2.71,-7.115506998709421
CC(C)Oc1ccc(N(C)C(=O)CSc2nc3sc4c(c3n2C(=O)c2ccccc2)CCCC4)cc1,C05318598_decoy,ITAL,Decoy,0,-8.23631,-8.34,-2.16,-8.960740023177388
COc1ccc(-c2nc3cc(Cl)ccc3cc2CN(C[C@H]2CCCO2)C(=O)CCn2ccc(C)n2)cc1,C14880506_decoy,ITAL,Decoy,0,-8.91629,-8.51,-3.0,-9.21169548293365
CCCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C)C(=O)c1ccc(C)c([N+](=O)[O-])c1,C16530814_decoy,ITAL,Decoy,0,-7.43667,-7.32,-2.93,-7.220113439633211
CCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)c1cccc(F)c1,C16532778_decoy,ITAL,Decoy,0,-9.26502,-7.62,-2.3,-9.483536864040753
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cc(OC)ccc1OC)C(=O)c1ccccc1,C16569542_decoy,ITAL,Decoy,0,-8.37413,-8.65,-2.08,-10.569712035193248
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cccc(C)c1)C(=O)CSc1ccccc1,C16570142_decoy,ITAL,Decoy,0,-9.23221,-9.65,-3.63,-10.104506865787878
CCCCCC(=O)N1c2ccccc2N=C2C[C@@H](c3ccco3)CC(=O)[C@H]2[C@@H]1c1ccc(N(CC)CC)cc1,C01821486_decoy,ITAL,Decoy,0,-8.58384,-7.85,-3.97,-8.009436074486104
Cc1ccccc1CSc1nc2cc(C(=O)N(C)Cc3ccccc3)ccc2c(=O)n1-c1ccc(F)cc1,C33077889_decoy,ITAL,Decoy,0,-8.51274,-8.36,-4.59,-7.445276799351022
Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(C(=O)CSc1ccccc1)C1CCCCC1,C33383739_decoy,ITAL,Decoy,0,-9.55578,-7.64,-2.16,-8.600654060687685
Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2ccc(C)s2)C[C@@H]2CCCO2)cc1,C33555442_decoy,ITAL,Decoy,0,-9.09244,-8.07,-2.36,-9.118682791638708
Cc1ccsc1CN(Cc1ccccc1)C(=O)CN(C[C@H]1CCCO1)C(=O)COc1ccc(Cl)cc1,C33659486_decoy,ITAL,Decoy,0,-9.57381,-8.41,-3.52,-10.279990052623166
Cc1ccsc1CN(Cc1ccc(F)cc1)C(=O)CN(C[C@H]1CCCO1)C(=O)c1ccc(C(C)(C)C)cc1,C34738071_decoy,ITAL,Decoy,0,-9.22767,-9.13,-2.67,-9.143047486368946
CCCN(C(=O)c1cc(C(F)(F)F)cc(C(F)(F)F)c1)[C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1C,C35009244_decoy,ITAL,Decoy,0,-7.92508,-9.26,-3.56,-9.723162840700056
Cc1cc(C)c(S(=O)(=O)N(CC(C)C)[C@H](C)c2nc3ccccc3c(=O)n2-c2ccc(F)cc2)c(C)c1,C35038855_decoy,ITAL,Decoy,0,-6.99816,-8.52,-2.86,-9.360601866633216
CC[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CC)C(=O)C(c1ccccc1)c1ccccc1,C35066556_decoy,ITAL,Decoy,0,-7.89856,-8.98,-3.7,-9.153345803271687
COCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)S(=O)(=O)c1c(C)cc(C)cc1C,C35226056_decoy,ITAL,Decoy,0,-9.50386,-8.59,-3.48,-8.8525951684093
COc1ccc(Oc2c(CN(Cc3ccccc3)C(=O)c3cccc(F)c3)c(-c3ccccc3)nn2C)cc1,C35980588_decoy,ITAL,Decoy,0,-7.68792,-8.35,-3.01,-7.968481191438111
CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc(OC)cc1,C36116911_decoy,ITAL,Decoy,0,-7.51652,-7.87,-3.05,-7.360670410659166
Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C)cc2C)C[C@@H]2CCCO2)cc1,C36119009_decoy,ITAL,Decoy,0,-8.09924,-9.3,-2.56,-9.695908439878805
C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1,C38592597_decoy,ITAL,Decoy,0,-8.23203,-7.56,-3.0,-7.624543770212664
CCOc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nc3sc4c(c3c2=O)CCN(CC)C4)cc1,C39869515_decoy,ITAL,Decoy,0,-9.1914,-8.4,-2.61,-7.990653700787883
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1OCC,C39878467_decoy,ITAL,Decoy,0,-9.60652,-4.18,-3.67,-5.467666350088022
COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccco2)ccc1OCc1ccccc1,C39910888_decoy,ITAL,Decoy,0,-8.71941,-7.4,-1.83,-8.060348323670537
CCOc1cc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2Cc2ccccc2)ccc1OCCC(C)C,C39911013_decoy,ITAL,Decoy,0,-8.88996,-5.32,-3.47,-6.016409782684524
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1,C39983156_decoy,ITAL,Decoy,0,-7.18864,-6.98,-2.39,-6.067552040661178
CCCCn1c(N2C[C@H](C)C[C@H](C)C2)c(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)c(C#N)c1=O,C39990486_decoy,ITAL,Decoy,0,-8.64944,-4.23,-1.5,-5.411039613737694
CCCCCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1,C40014499_decoy,ITAL,Decoy,0,-9.94663,-4.28,-2.71,-5.782648251118776
COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccc5c(c4)C[C@H](C)O5)c(=O)n32)cc1,C40016753_decoy,ITAL,Decoy,0,-8.60195,-8.8,,99.0
CCOc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nc3c(c2=O)[C@](C)(CC)Cc2ccccc2-3)cc1,C40032526_decoy,ITAL,Decoy,0,-10.2296,-9.69,-1.84,-9.485501514672414
CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C,C40041705_decoy,ITAL,Decoy,0,-8.9702,-4.82,-4.28,-6.021808944749481
CCOc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2c2ccc(C)cn2)ccc1OCCC(C)C,C40044799_decoy,ITAL,Decoy,0,-8.48485,-6.62,,99.0
CCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1,C40056140_decoy,ITAL,Decoy,0,-9.97148,-6.17,-1.97,-7.426131972373755
CCCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OCC,C40056566_decoy,ITAL,Decoy,0,-8.64736,-6.32,-2.85,-7.0313812373179
CCOc1cc([C@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2C[C@@H]2CCCO2)ccc1OCCC(C)C,C40065943_decoy,ITAL,Decoy,0,-8.97471,-6.67,-2.54,-7.510789210379977
CC(C)(C)c1ccc(OCCCCn2c([C@H]3CC(=O)N(c4ccc5c(c4)OCO5)C3)nc3ccccc32)cc1,C40182722_decoy,ITAL,Decoy,0,-8.11995,-8.43,-2.69,-8.137762693423012
CCOc1ccccc1OCCn1c([C@@H]2CC(=O)N(c3ccccc3Br)C2)nc2ccccc21,C40252673_decoy,ITAL,Decoy,0,-8.05759,-5.97,-2.81,-6.23665080868253
CCOc1ccc(N(C(=O)COc2ccccc2-c2ccccc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,C40991776_decoy,ITAL,Decoy,0,-9.20741,-9.89,-3.66,-9.26120044480653
CC(C)Cc1nn(-c2ccccc2)cc1/C=C1\CN(C)C/C(=C\c2cn(-c3ccccc3)nc2CC(C)C)C1=O,C20115464_decoy,ITAL,Decoy,0,-9.80875,-8.43,-3.62,-9.21636094463041
CCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@@H]3c3ccc(OC)c(Br)c3)C2=O)cc1,C01887558_decoy,ITAL,Decoy,0,-9.71545,-8.34,-2.1,-15.251524751196705
O=C(c1sc(NP2(=O)C=C(c3ccccc3)OC(c3ccccc3)=C2)nc1-c1cccs1)C(F)(F)F,C03181501_decoy,ITAL,Decoy,0,-7.8918,-10.38,-3.12,-8.634119816088969
[H]/N=C1C(=C/c2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)\C(=O)N=C2SC=C(c3ccccc3)N2\1,C04653053_decoy,ITAL,Decoy,0,-8.97839,-5.9,-1.99,-6.241831750738887
CCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@@H](c3ccc(N(CC)CC)cc3)C2)[C@@H]1c1ccc(OC)cc1,C00685670_decoy,ITAL,Decoy,0,-7.54391,-5.46,-2.91,-5.4653517681172845
Cc1ccc(C(=O)Oc2ccc(N(C(=O)c3ccc(C)cc3)S(=O)(=O)c3c(C)cc(C)cc3C)cc2)cc1,C09030420_decoy,ITAL,Decoy,0,-7.5125,-9.77,-5.1,-7.770430553355694
CCOc1ccc(-n2c(SCC(=O)Nc3ccc(C)c(F)c3)nc3sc4c(c3c2=O)CCCC4)cc1,C01811811_decoy,ITAL,Decoy,0,-9.68582,-8.34,-3.81,-9.53244727779768
Cc1ccc(S(=O)(=O)N(C)Cc2ccc(C(=O)NN=C(Cc3ccccc3)Cc3ccccc3)cc2)cc1,C12650702_decoy,ITAL,Decoy,0,-8.93925,-9.42,-2.69,-10.798408187035449
CC(=O)NC[C@H](C)CCC1=C(C)[C@H]2[C@H](C[C@H]3[C@@H]4CC=C5C[C@@H](OC(=O)CCC(C)C)CC[C@]5(C)[C@@H]4CC[C@@]32C)O1,C12660720_decoy,ITAL,Decoy,0,-9.65719,-6.66,-3.47,-7.457296261423422
CCOC(=O)c1c(NC(=O)CSc2nc3c(c(-c4cccs4)c2C#N)CCC3)sc2c1CCCC2,C12860238_decoy,ITAL,Decoy,0,-9.16013,-8.37,-2.37,-8.314992055822929
CCCSc1nc(SCC(=O)N[C@@H](C)CCc2ccccc2)c2c3c(sc2n1)CO[C@](C)(CC)C3,C02396974_decoy,ITAL,Decoy,0,-9.79456,-7.46,-3.23,-10.03249758996507
[H]/N=C1C(=C\c2ccc(OCCOc3ccc(C(C)(C)C)cc3)cc2)\C(=O)N=C2SC=C(c3ccccc3)N2\1,C13798706_decoy,ITAL,Decoy,0,-9.01138,-5.8,-1.92,-5.193415980563312
CCCC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@@H]3[C@H]2CC[C@]2(C)[C@H]4C(C)=C(CC[C@@H](C)CNC(C)=O)O[C@]4(C)C[C@@H]32)C1,C15958708_decoy,ITAL,Decoy,0,-9.40083,-8.12,-3.49,-7.8563041475646
CCc1cc(C)cc(OCCOc2c(Cl)cc(-c3nc4sc5c(c4c(=O)[nH]3)CCCC5)cc2OC)c1,C18276170_decoy,ITAL,Decoy,0,-10.1364,-8.1,-3.72,-8.1604789758413
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Br)cc1,C02926358_decoy,ITAL,Decoy,0,-9.76398,-4.2,-2.7,-6.179492222193569
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCOc2ccccc2)[C@@H]3c2ccccc2F)cc1,C02727269_decoy,ITAL,Decoy,0,-9.14417,-5.73,-3.71,-6.541823290554891
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Oc3ccccc3)c2)C2=C(CC(C)(C)CC2=O)N1,C19848667_decoy,ITAL,Decoy,0,-8.37379,-9.59,-2.6,-8.842032189798186
CCOc1ccccc1[C@H]1C(C(=O)OCCOc2ccccc2)=C(C)NC2=C1C(=O)C[C@@H](c1ccccc1)C2,C04068145_decoy,ITAL,Decoy,0,-8.24971,-8.4,-3.04,-10.21935878369142
CCCOc1ccc([C@H]2C(C(=O)OC3CCCCC3)=C(C)NC3=C2C(=O)C[C@@H](c2ccc(OC)cc2)C3)cc1,C04112680_decoy,ITAL,Decoy,0,-10.2963,-8.48,-2.64,-9.058703118266678
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(F)c1,C19892271_decoy,ITAL,Decoy,0,-8.78063,-6.57,-2.3,-7.235965672164834
Cc1ccc(-n2c(SCC(=O)N(Cc3ccccc3)C(C)(C)C)nnc2-c2ccc(C(C)(C)C)cc2)cc1,C03284294_decoy,ITAL,Decoy,0,-9.22647,-8.88,-3.62,-12.855172508829089
CCOc1ccc(N(CC(=O)N[C@@H](CC)c2ccc(C)cc2C)S(=O)(=O)c2ccc(SC)cc2)cc1,C22344693_decoy,ITAL,Decoy,0,-9.40195,-7.37,-2.43,-8.30220343435093
CC(/C=N\NC(=O)CSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(C)cc1)=C\c1ccccc1,C30742562_decoy,ITAL,Decoy,0,-10.0447,-8.4,-3.41,-8.265254302318448
Cc1ccc(COc2ccc(-c3nn(-c4ccccc4)cc3/C=C3\SC(=S)N(C(C)C)C3=O)cc2)cc1,C33367708_decoy,ITAL,Decoy,0,-8.48281,-6.8,,99.0
CC[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)N(CCOC)C(=O)C[C@@H](C)CC(C)(C)C,C35073053_decoy,ITAL,Decoy,0,-8.48833,-7.43,-3.65,-8.650353456243582
CCn1c(SCCCCNS(=O)(=O)c2ccc(Cl)cc2)nc(-c2ccccc2)c1-c1ccccc1,C35105831_decoy,ITAL,Decoy,0,-9.04778,-8.0,,99.0
CCCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)c1ccc(C(F)(F)F)cc1,C35131280_decoy,ITAL,Decoy,0,-8.22333,-6.69,-1.85,-7.131000621385875
CCCCCNC(=O)[C@@H](CC)Sc1nnc2c3ccccc3n(Cc3ccc(Br)cc3)c2n1,C35156723_decoy,ITAL,Decoy,0,-9.97638,-8.47,-3.64,-10.686082693306515
Cc1ccc(Cn2c3ccc(C)cc3c3nnc(SCCCCC(=O)N[C@H](C)c4ccccc4)nc32)cc1,C33943192_decoy,ITAL,Decoy,0,-9.93507,-9.84,-1.81,-8.723299128732611
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)Nc1cccc(CC)c1,C35231863_decoy,ITAL,Decoy,0,-6.53648,-9.28,-3.24,-8.67924722509679
C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)C12CC3CC(CC(C3)C1)C2,C35770832_decoy,ITAL,Decoy,0,-8.55343,-7.11,-1.77,-8.638387741357091
CC(C)(C)CC(C)(C)NC(=O)[C@H](C(c1ccccc1)c1ccccc1)N(Cc1ccco1)C(=O)c1ccco1,C36498342_decoy,ITAL,Decoy,0,-7.56672,-6.09,-3.78,-7.469114030250136
Cc1ccc(CN(C(=O)CCC2CCCCC2)[C@H](C(=O)NC(C)(C)C)C(c2ccccc2)c2ccccc2)o1,C36556984_decoy,ITAL,Decoy,0,-8.7722,-5.43,-3.06,-7.2450382099252755
CCCC[C@@H](CC)C(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NC(C)(C)C)c1cc2ccccc2c2ccccc12,C36557923_decoy,ITAL,Decoy,0,-10.0653,-7.39,-3.57,-9.380411763593536
CCCC[C@H](CC)C(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NC(C)(C)C)c1cc2ccccc2c2ccccc12,C36557925_decoy,ITAL,Decoy,0,-9.53642,-8.57,-3.74,-9.704154427730666
CCCCNC(=O)[C@@H]([C@@H](C)c1ccccc1)N(Cc1ccc(C)o1)C(=O)Cc1ccc(Br)cc1,C36595175_decoy,ITAL,Decoy,0,-8.51841,-7.61,-2.54,-8.13361645085546
CCCCNC(=O)[C@@H]([C@H](C)c1ccccc1)N(Cc1ccc(C)o1)C(=O)Cc1ccc(Br)cc1,C36595177_decoy,ITAL,Decoy,0,-9.80346,-8.09,-1.97,-9.3433259700884
CCCNC(=O)CN1C(=O)CS[C@@H](c2ccc(F)cc2F)c2c(C(C)(C)C)nn(-c3cccc(C)c3)c21,C37263956_decoy,ITAL,Decoy,0,-9.65176,-5.27,-2.13,-7.59761742392486
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@H](CC[C@H]4[C@H](C)CCCC(C)C)[C@H]3C(=O)[C@H](Br)[C@H]2C1,C36371677_decoy,ITAL,Decoy,0,-9.36127,-9.21,-2.14,-14.277747491267206
CC[C@@]1(C)Cc2ccccc2-c2nc(SCC(=O)Nc3ccc(OC)cc3)n(-c3ccc(C)cc3)c(=O)c21,C40032571_decoy,ITAL,Decoy,0,-8.98861,-9.75,-3.15,-9.919223960185342
CCC[C@]1(C)Cc2ccccc2-c2nc(N/N=C/c3ccccc3Cl)n(-c3ccc(OCC)cc3)c(=O)c21,C40036035_decoy,ITAL,Decoy,0,-10.3166,-5.99,-2.68,-6.23310199237876
CCCCOc1cccc(/C=N/Nc2nc3c(c(=O)n2-c2ccccc2)C2(CCCCC2)Cc2ccccc2-3)c1,C40036955_decoy,ITAL,Decoy,0,-8.61488,-5.68,-3.61,-6.3185186662584725
CC[C@H](C)CN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)Nc1ccc(C(F)(F)F)cc1,C40372159_decoy,ITAL,Decoy,0,-8.21389,-9.09,-3.28,-8.840324586902788
CC[C@]12C[C@@H]3[C@@H]4CC=C5C[C@H](OC(C)=O)CC[C@@]5(C)[C@@H]4CC[C@@]3(C)[C@@H]1C(C)=C(CC[C@@H](C)CNC(C)=O)O2,C43735729_decoy,ITAL,Decoy,0,-8.66285,-5.87,-3.39,-6.662233801172118
CCC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]4C[C@@]5(C)OC(CC[C@@H](C)CNC(C)=O)=C(C)[C@@H]5[C@]4(C)CC[C@@H]32)C1,C43737510_decoy,ITAL,Decoy,0,-9.30542,-7.89,-2.61,-7.545742731526123
CCCCc1ccc(C(=O)N(CCC)CC(=O)c2c(-c3ccccc3)nn(-c3cccc(Cl)c3)c2O)cc1,C35106751_decoy,ITAL,Decoy,0,-10.0032,-9.64,-3.61,-12.290477013734186
CC(C)(C)c1ccc(-c2nnc(SCC(=O)N/N=C/c3cc(Br)ccc3F)n2-c2ccccc2)cc1,C01765254_decoy,ITAL,Decoy,0,-9.37662,-9.34,-3.16,-8.621767981424044
O=C(CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4)Nc1cccc2ccccc12,C01886130_decoy,ITAL,Decoy,0,-10.0427,-10.16,-2.91,-8.955960621230766
O=C(NC1CCCCC1)[C@@H](C(c1ccccc1)c1ccccc1)N(C(=O)C#Cc1ccccc1)c1ccccc1,C36609545_decoy,ITAL,Decoy,0,-7.70635,-4.98,-2.81,-6.135853119555795
CC[NH+](CC)c1ccc(CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)[C@H]2CCS(=O)(=O)C2)cc1,C54311081_decoy,ITAL,Decoy,0,-9.01649,-8.09,-1.96,-9.344893592830717
Cc1cccc(COc2ccc([C@@H]3C4=C(CCCC4=O)Nc4nc(SCc5ccccc5F)nn43)cc2)c1,C54641692_decoy,ITAL,Decoy,0,-7.89537,-6.61,-2.87,-7.011109810732763
Cc1ccc(Cn2ccc(NC(=O)CCSc3nc4c(c(C(F)(F)F)n3)CCc3ccccc3-4)n2)cc1,C58967063_decoy,ITAL,Decoy,0,-7.5887,-9.64,-3.1,-8.379034604422285
COc1ccc(N(Cc2c(C(F)(F)F)nn(C)c2Cl)S(=O)(=O)c2ccc(Cl)cc2Cl)cc1,C01404116_decoy,ITAL,Decoy,0,-10.1824,-7.84,-2.29,-9.453926428983538
COc1ccc([C@@H]2CC(=O)C3=C(C2)N=C(C)C(C(=O)OCCc2ccccc2)[C@@H]3c2cccs2)cc1OC,C06015612_decoy,ITAL,Decoy,0,-8.70391,-8.08,-2.94,-7.552205888681529
COc1ccc2cc(S(=O)(=O)N(C)Cc3ccccc3)ccc2c1S(=O)(=O)N(C)Cc1ccccc1,C08834407_decoy,ITAL,Decoy,0,-7.39369,-6.32,-4.35,-5.95482258302791
CC(C)Oc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1,C02332536_decoy,ITAL,Decoy,0,-8.65845,-6.85,-3.18,-6.732379083076664
CCOc1cc([C@H]2C=C3c4cc(OC)c(OC)cc4CCN3C3=C2C(=O)CC(C)(C)C3)ccc1OC(F)F,C09129090_decoy,ITAL,Decoy,0,-8.64408,-4.89,-2.19,-5.387546068630565
COc1ccc(CCN2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccc(OC)c(OC)c2)cc1,C02198072_decoy,ITAL,Decoy,0,-8.03952,-4.64,-1.9,-5.301344758072415
CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(Cc2cccnc2)c2nc3c(C)c(C)ccc3s2)cc1,C09273591_decoy,ITAL,Decoy,0,-9.36633,-6.48,-2.71,-9.19499557783058
CCCN(CCC)S(=O)(=O)c1ccc(C(=O)N(Cc2ccccc2)c2nc3ccc(F)cc3s2)cc1,C09525356_decoy,ITAL,Decoy,0,-8.87708,-7.05,-3.82,-7.250531942452744
CCSCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1ccc([N+](=O)[O-])cc1,C09635678_decoy,ITAL,Decoy,0,-10.1953,-5.74,-2.5,-7.418963235225761
C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1,C12193748_decoy,ITAL,Decoy,0,-7.87501,-6.52,-2.36,-6.184095266442476
CCSCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cccc([N+](=O)[O-])c1,C08916481_decoy,ITAL,Decoy,0,-9.52956,-4.4,,99.0
CCOC(=O)[C@@H]1C(=O)C2=C(C[C@@H]1c1cccs1)N(c1ccccc1F)C(=O)C[C@H]2c1ccc(OC)cc1,C12413072_decoy,ITAL,Decoy,0,-8.53584,-5.98,-2.78,-5.9913927445939565
CCN(C(=O)CSc1nnc(Cc2cccc3ccccc23)n1C1CCCCC1)[C@@H]1CCS(=O)(=O)C1,C12532980_decoy,ITAL,Decoy,0,-9.13642,-8.86,-3.6,-10.7047783437
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(Cc3ccc(C)cc3)C2=O)cc1C,C13619119_decoy,ITAL,Decoy,0,-9.16931,-6.26,-2.15,-6.407105309117877
COCCN(C(=O)c1cccc(C(F)(F)F)c1)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C,C16427479_decoy,ITAL,Decoy,0,-6.90315,-4.64,-2.2,-5.106812053639154
O=C(N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)Cc1ccco1)C12CC3CC(CC(C3)C1)C2,C16497924_decoy,ITAL,Decoy,0,-7.97949,-8.25,-3.95,-7.3299005851551104
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc(OC)cc1OC,C16503991_decoy,ITAL,Decoy,0,-7.90903,-7.01,-1.9,-7.068087144758259
C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(OC)cc1)C(=O)c1ccc(OCCCC)cc1,C16508406_decoy,ITAL,Decoy,0,-10.4717,-7.42,,99.0
Cc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)S(=O)(=O)c2c(C)cc(C)cc2C)cc1,C16508879_decoy,ITAL,Decoy,0,-9.34475,-9.4,-2.73,-9.124215817604538
CCOCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)S(=O)(=O)c1ccc(F)cc1,C16531007_decoy,ITAL,Decoy,0,-10.0162,-7.29,-4.44,-10.590141642565664
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c1,C16700745_decoy,ITAL,Decoy,0,-9.04085,-6.33,-4.08,-7.697730900884239
Cc1ccc(=O)n([C@@H](C(=O)c2ccc(F)cc2)C(=O)N2CCN(C(c3ccccc3)c3ccccc3)CC2)c1,C19823446_decoy,ITAL,Decoy,0,-9.52209,-8.11,-4.17,-7.845146434106759
CCOCCCn1c(SCc2cc(F)ccc2C)nc2cc(S(=O)(=O)N3CCC[C@H](C)C3)ccc21,C23460616_decoy,ITAL,Decoy,0,-9.17988,-8.41,-3.32,-8.462942910866717
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)cc1,C27019838_decoy,ITAL,Decoy,0,-7.92222,-10.03,-2.01,-8.190036689864286
CC[C@@H](C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)Cc1cccs1,C34909140_decoy,ITAL,Decoy,0,-7.8026,-8.94,-3.68,-9.505415473224833
CC[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CC)C(=O)C(c1ccccc1)c1ccccc1,C35066558_decoy,ITAL,Decoy,0,-8.06802,-9.9,-4.0,-10.78752503521825
O=C(C(c1ccccc1)c1ccccc1)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccco1)C1CC1,C35706915_decoy,ITAL,Decoy,0,-7.81248,-8.03,-2.93,-10.23359850036572
COc1cc(OC)cc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@@H]2c2cccc(C)c2)C2CC2)c1,C35707092_decoy,ITAL,Decoy,0,-8.47639,-5.36,-3.1,-6.193322303770926
Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C2CC2)S(=O)(=O)c2cc(Cl)ccc2Cl)s1,C35805406_decoy,ITAL,Decoy,0,-10.4267,-7.32,,99.0
Cc1nn(-c2ccc(Cl)cc2)c(Oc2cccc(F)c2)c1CN(C[C@H]1CCCO1)C(=O)c1ccccc1,C35975579_decoy,ITAL,Decoy,0,-10.1936,-5.35,-2.13,-6.785266223615919
CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC2CC2)C(=O)c2ccc(F)cc2)cc1,C36032253_decoy,ITAL,Decoy,0,-9.84039,-8.51,-2.53,-8.194604038431699
CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccccc2)n1Cc1ccccc1)C(=O)c1cccc(F)c1,C36040139_decoy,ITAL,Decoy,0,-9.12602,-8.93,-3.55,-8.980294244377053
COCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccccc1F,C36116683_decoy,ITAL,Decoy,0,-8.83026,-8.1,-3.18,-8.099863060867266
COCCCN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccccc1,C36116887_decoy,ITAL,Decoy,0,-9.58462,-8.1,-2.53,-12.85696996289228
COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C(C)C)cc2)C(C)(C)C)cc1,C36116943_decoy,ITAL,Decoy,0,-8.8585,-7.97,-2.97,-10.12503184882775
Cc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C)cc2C)C[C@H]2CCCO2)cc1,C36119011_decoy,ITAL,Decoy,0,-8.48308,-9.19,-4.18,-9.13506378189786
CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1C)C(=O)c1ccc(F)cc1,C36119053_decoy,ITAL,Decoy,0,-9.87965,-9.8,-4.51,-11.716043279790226
COc1ccc(-c2cc(-c3ccc(C)cc3)nc(SCc3nnc(-c4ccccc4)o3)c2C#N)cc1OC,C06246098_decoy,ITAL,Decoy,0,-8.38237,-6.48,-2.14,-5.985784064796884
CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1OCC,C38593826_decoy,ITAL,Decoy,0,-8.56033,-7.34,-2.95,-7.96458156253053
CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2Cc2ccc(OC)cc2)cc1OCC,C39825374_decoy,ITAL,Decoy,0,-8.17711,-7.65,-2.0,-7.478992022327039
CCCCCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1,C39839835_decoy,ITAL,Decoy,0,-8.7493,-5.85,-1.72,-6.413681900155906
CCCCCOc1c(Cl)cc(C(=O)N(Cc2ccc(Cl)cc2)[C@H]2CCS(=O)(=O)C2)cc1Cl,C39869040_decoy,ITAL,Decoy,0,-8.73948,-6.59,-3.37,-8.191761644992797
CCCCCOc1c(Cl)cc(C(=O)N(Cc2ccc(C(C)C)cc2)[C@H]2CCS(=O)(=O)C2)cc1Cl,C39869048_decoy,ITAL,Decoy,0,-10.8339,-6.7,-3.78,-8.497653192126469
CCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1OCC,C39913790_decoy,ITAL,Decoy,0,-8.74954,-5.44,-3.54,-6.81683300443067
CCCCCOc1ccc([C@@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2cc(C)ccn2)cc1OCC,C40065934_decoy,ITAL,Decoy,0,-8.20012,-4.94,-1.76,-6.220217775911069
CCOc1ccc(-n2c([C@@H](CC)N(CC)C(=O)c3ccc(Cl)cc3Cl)nc3ccccc3c2=O)cc1,C40360306_decoy,ITAL,Decoy,0,-9.27571,-9.02,-3.66,-11.6177432810309
CC(=O)O[C@@]1(C(C)=O)CC[C@@H]2[C@H]3C=C(C)C4=C[C@H](OC(=O)CCc5ccccc5)CC[C@@]4(C)[C@H]3CC[C@]21C,C43735930_decoy,ITAL,Decoy,0,-8.17111,-6.34,-1.93,-5.794330083868378
CCOC(=O)C1=CS[C@]2(S1)C(C(=O)OCC)=CSC1=C2c2cc(C)ccc2N(C(=O)CC)C1(C)C,C00718888_decoy,ITAL,Decoy,0,-3.17904,-4.3,-3.65,-3.2271560339650907
C=CCn1/c(=N\C(=O)c2ccc(S(=O)(=O)N(C)C[C@H]3CCCO3)cc2)sc2cc(Cl)cc(C)c21,C09832279_decoy,ITAL,Decoy,0,-9.74529,-8.09,-2.27,-11.85860858780418
CO[C@@H]1O[C@@H](CBr)[C@@H](OCc2ccccc2)[C@@H](OCc2ccccc2)[C@@H]1OCc1ccccc1,C65743432_decoy,ITAL,Decoy,0,-7.98566,-9.14,-3.39,-9.68587459708109
O=C(CCCN1C(=O)/C(=C/C=C/c2ccccc2)SC1=S)Nc1ccc(O)c(C(=O)[O-])c1,C08820552_decoy,ITAL,Decoy,0,-8.49426,-7.52,-4.03,-8.100338567559875
CCCCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1cc(C(=O)[O-])cc(C)c1C,C10513871_decoy,ITAL,Decoy,0,-7.7873,-6.93,-4.23,-7.899277228288238
NC(=O)[C@@H](Sc1nc2cc(C(=O)[O-])ccc2c(=O)n1Cc1ccccc1)c1ccc(F)cc1,C13045098_decoy,ITAL,Decoy,0,-8.9812,-8.69,-2.24,-9.502415513013265
O=C([O-])c1ccc2c(=O)n(CCO)c(S[C@H](C(=O)Nc3ccc(F)cc3)c3ccccc3)nc2c1,C13045612_decoy,ITAL,Decoy,0,-7.99174,-5.45,-3.0,-6.108786081685023
C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1,C13060854_decoy,ITAL,Decoy,0,-8.12744,-5.88,-4.18,-5.442124711196312
C/C(=N\NC(=O)COc1ccccc1Cc1ccccc1)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1,C13061002_decoy,ITAL,Decoy,0,-6.95102,-8.61,-2.02,-7.903468744515559
C/C(=N\NS(=O)(=O)c1ccccc1)c1ccc(S(=O)(=O)NCc2ccc(C(=O)[O-])cc2)cc1,C13066465_decoy,ITAL,Decoy,0,-6.28283,-7.53,-2.52,-5.223501503254381
C/C(=N\NC(=S)Nc1ccc(F)cc1F)c1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1,C13066530_decoy,ITAL,Decoy,0,-6.82702,-6.96,-2.43,-6.4599055235995015
COc1ccc(CC(=O)N/N=C(\C)c2ccc(S(=O)(=O)NCc3ccc(C(=O)[O-])cc3)cc2)cc1,C13066594_decoy,ITAL,Decoy,0,-7.55882,-6.72,-4.51,-5.983950894407692
Cc1cc(C(=O)[O-])cc(S(=O)(=O)NNC(=O)c2cc(-c3ccccc3)nn2-c2ccccc2)c1C,C13078893_decoy,ITAL,Decoy,0,-8.80367,-5.52,-2.04,-6.199717048714772
Cc1cc(C(=O)[O-])cc(S(=O)(=O)Nc2ccc(S(=O)(=O)Nc3ccccc3)cc2)c1C,C13078932_decoy,ITAL,Decoy,0,-8.56434,-5.04,-4.22,-6.025127130143652
C[C@H]1[C@@H](NC(=O)NC(=O)CSc2nnc(-c3cccs3)n2CCC(=O)[O-])CCC[C@@H]1C,C13193098_decoy,ITAL,Decoy,0,-7.27598,-6.59,-4.1,-6.446547213591317
O=C(CC1(C(=O)[O-])CCCCCC1)Nc1ccc(NS(=O)(=O)c2ccc(F)c(F)c2)cc1,C13249179_decoy,ITAL,Decoy,0,-6.99981,-7.4,-2.61,-6.696137242311916
COc1ccc(NS(=O)(=O)c2cc(NC(=O)[C@H]3CC=CC[C@@H]3C(=O)[O-])ccc2Cl)cc1,C13251168_decoy,ITAL,Decoy,0,-9.34483,-6.92,-3.79,-7.400653596098005
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)CC3(C(=O)[O-])CCCCC3)ccc2OC)cc1,C13251194_decoy,ITAL,Decoy,0,-7.0607,-6.89,-2.36,-7.761683637608932
C[C@@](CC(=O)Nc1cccc(S(=O)(=O)/N=C2\CCCCCN2)c1)(C(=O)[O-])c1ccccc1,C13251354_decoy,ITAL,Decoy,0,-8.01837,-8.78,-3.06,-8.068251186261032
COc1ccc(CC(=O)N/N=C(\C)c2ccc(S(=O)(=O)Nc3ccc(C(=O)[O-])cc3)cc2)cc1,C13264476_decoy,ITAL,Decoy,0,-8.54509,-7.64,,99.0
CCOc1cc([C@@H]2C(C)=C(c3ccc(OCC(=O)[O-])cc3)Nc3nnnn32)cc(Cl)c1O,C13268603_decoy,ITAL,Decoy,0,-8.3553,-7.39,-1.01,-8.884579145280053
NS(=O)(=O)c1ccc(Sc2nnnn2-c2ccc(OC(F)(F)F)cc2)c(C(=O)[O-])c1,C13276306_decoy,ITAL,Decoy,0,-7.97514,-9.52,-1.45,-8.834225424990317
NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2ccc(F)cc2)n1CCC(=O)[O-],C13281096_decoy,ITAL,Decoy,0,-7.41648,-6.58,-2.05,-6.419570273448152
NC(=O)CCN(Cc1ccccc1)C(=O)CSc1nnc(-c2cccs2)n1CCC(=O)[O-],C13443880_decoy,ITAL,Decoy,0,-8.19593,-6.89,-2.43,-7.702038428084547
CCOC(=O)c1c(C)[nH]c(/C=N/NC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)c1C,C19324000_decoy,ITAL,Decoy,0,-8.82591,-7.08,-1.85,-11.305058552835924
Cc1nn(-c2ncc(-c3cccc([N+](=O)[O-])c3)s2)c([O-])c1[C@H](c1ccccc1)[C@H](C#N)C(N)=O,C19897973_decoy,ITAL,Decoy,0,-7.50328,-5.63,-3.02,-5.162102558988607
CC[C@H](Sc1nnc(-c2cc(C)ccc2NC(C)=O)c([O-])n1)C(=O)Nc1cccc(OC)c1,C21882649_decoy,ITAL,Decoy,0,-8.57123,-8.15,-1.77,-10.780042688786995
O=C(NNC(=O)c1ccccc1OC(F)F)c1ccccc1[N-]S(=O)(=O)c1cccs1,C23242151_decoy,ITAL,Decoy,0,-8.30499,-8.28,-3.25,-8.554577687755263
CC[C@@]1(c2ccccc2)NC(=O)N(NC(=O)CCn2c([S-])nnc2-c2cccc(C)c2)C1=O,C24641519_decoy,ITAL,Decoy,0,-6.90282,-7.99,-2.88,-7.1343667043959815
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc([N-]S(C)(=O)=O)c(Cl)c3)cc2)cc1,C30756186_decoy,ITAL,Decoy,0,-7.71597,-8.25,,99.0
CCc1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nc(C)cc(C)n3)cc2)cc1,C30826376_decoy,ITAL,Decoy,0,-8.3184,-7.56,-3.67,-6.680112019848546
O=C(COc1ccc([N+](=O)[O-])cc1)NC(=S)Nc1cc(Br)c([O-])c(Br)c1,C32116782_decoy,ITAL,Decoy,0,-8.43043,-7.33,-4.54,-8.200511886690814
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)COC(=O)CCC(=O)[O-],C03977963_decoy,ITAL,Decoy,0,-6.99492,-4.9,-3.34,-5.757386194216154
C=CCn1c([S-])nnc1CC1=N[C@H](NC(=O)c2cccc(S(=O)(=O)NC3CC3)c2)SC1,C38798759_decoy,ITAL,Decoy,0,-8.53146,-7.74,-3.57,-10.260912589818592
C[C@@H]1CCCC[C@@H]1NC(=O)NC(=O)COC(=O)c1ccccc1[N-]S(=O)(=O)c1ccc(F)cc1,C39599265_decoy,ITAL,Decoy,0,-8.06256,-9.33,-4.35,-8.919909182844238
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(CSc2ncn[nH]2)cc1,C09126880_decoy,ITAL,Decoy,0,-7.95487,-6.8,-3.91,-6.67048611341913
Cc1nc2nc(SCC(=O)NC(=O)N[C@H]3CCC[C@@H](C)[C@@H]3C)nn2c(C)c1CCC(=O)[O-],C39711909_decoy,ITAL,Decoy,0,-7.17651,-6.57,-2.72,-5.825912647840392
O=C(CSc1nc([O-])c2ccccc2n1)Nc1ccc(S(=O)(=O)NCc2ccccc2)cc1,C39858371_decoy,ITAL,Decoy,0,-7.26347,-5.35,-2.83,-4.9723803296726965
Cc1ccc(COc2ccc(/C=C3\SC(=S)N([C@@H](CCC(N)=O)C(=O)[O-])C3=O)cc2)cc1,C39862129_decoy,ITAL,Decoy,0,-7.51902,-6.39,-3.07,-6.075156135356563
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2cccc(O)c2)c(C)c1,C40083587_decoy,ITAL,Decoy,0,-9.04653,-7.61,,99.0
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,ITAL,Decoy,0,-10.4385,-7.25,-1.56,-9.374751661278053
C[C@]12C[C@@H](O)[C@@H]3[C@H](CCC4=CC(=O)C=C[C@]43C)[C@@H]1CC[C@@]2(O)C(=O)COC(=O)CCC(=O)[O-],C43204634_decoy,ITAL,Decoy,0,-8.159,-6.12,-2.28,-6.556986761840648
CC(=O)[C@H]1CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CO)C(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@@]12C,C43743774_decoy,ITAL,Decoy,0,-7.24074,-4.7,-2.66,-5.214993512744339
CCOc1cc(/C=C2\SC(=S)N(CC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)ccc1O,C15036046_decoy,ITAL,Decoy,0,-8.82575,-6.75,-1.75,-6.452659485585724
COc1cc(/C=C2\SC(=S)N(CCCCCC(=O)NCCC(=O)[O-])C2=O)cc(OC)c1O,C15044707_decoy,ITAL,Decoy,0,-8.86874,-6.42,-2.28,-7.72661715258857
COc1ccc(-c2nnc([S-])n2CC(=O)N[C@@H](c2ccccc2)c2ccc3nc[nH]c3c2)cc1,C25145887_decoy,ITAL,Decoy,0,-8.87144,-9.31,-2.08,-11.294800178009064
COc1ccc(C(=O)NNC(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)cc1OC,C14805263_decoy,ITAL,Decoy,0,-9.19669,-6.71,-2.43,-10.511778981204486
CCc1cccc2c1NC(=O)[C@@]21N[C@@H](CCC(=O)[O-])[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21,C15959462_decoy,ITAL,Decoy,0,-8.62682,-7.46,-3.77,-7.711960650643078
CCOc1ccc(S(=O)(=O)/N=C(\[N-]c2ccc(S(N)(=O)=O)cc2)c2ccccc2)cc1,C09097311_decoy,ITAL,Decoy,0,-10.0751,-8.33,-3.51,-9.080374550692811
CCOc1ccc(-c2nnc([S-])n2CC(=O)NNC(=O)c2ccccc2-n2cccc2)cc1,C17363529_decoy,ITAL,Decoy,0,-8.24887,-8.83,-3.97,-12.689917578100331
CCOc1ccc(NC(=O)[C@@H](CC)Sc2nnc(-c3ccccc3NC(C)=O)c([O-])n2)cc1,C35377873_decoy,ITAL,Decoy,0,-8.33212,-8.72,-1.96,-8.650161421964707
COc1ccc(NC(=O)CSc2nnc(-c3cc(C)cc(C)c3NC(C)=O)c([O-])n2)cc1Cl,C64774473_decoy,ITAL,Decoy,0,-8.52692,-9.04,-3.09,-8.582557608483878
C/C([O-])=N/S(=O)(=O)c1ccc(NC(=S)NC(=O)C(C)(C)CCCOc2cc(C)ccc2C)cc1,C66201571_decoy,ITAL,Decoy,0,-7.46226,-7.91,-2.85,-8.491070263090801
COc1c(C)cc(Br)cc1C(=O)NC(=S)Nc1sc2c(c1C#N)CCC2,C01125037_decoy,ITAL,Decoy,0,-8.9286,-8.11,-2.18,-7.606382031219612
FC(F)Oc1ccc(NC(=S)Nc2ccc(Br)cc2Br)cc1,C02638346_decoy,ITAL,Decoy,0,-9.21166,-8.42,,99.0
CCN(CC)c1ccc(NC(=S)NC(=O)c2cccc(I)c2)cc1,C04089275_decoy,ITAL,Decoy,0,-8.98783,-7.0,-0.75,-8.84787013992686
CC(=O)C1=C(Nc2ccc(Br)cc2)C[C@@](C)(O)[C@H](C(C)=O)[C@@H]1c1ccccc1,C06074045_decoy,ITAL,Decoy,0,-8.55982,-7.13,-1.47,-7.473591018284198
COC(=O)C1=C(N)OC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(Br)cc1,C08414021_decoy,ITAL,Decoy,0,-8.32586,-4.35,-2.28,-5.441426261434808
O=C(Nc1nc2c(s1)CCC[C@@H]2C(=O)Nc1ccc(Br)cc1)c1ccccc1,C09071985_decoy,ITAL,Decoy,0,-8.21333,-5.24,,99.0
O=C1NC(=O)/C(=C\c2cc(Br)c(OCc3ccc(F)cc3)c(Br)c2)N1,C09322159_decoy,ITAL,Decoy,0,-7.60191,-7.79,-1.75,-6.571496114896415
COc1ccc([C@H]2C(C(=O)c3ccccc3)=C(N)N(c3ccccc3)C3=C2C(=O)CCC3)cc1,C09861241_decoy,ITAL,Decoy,0,-9.46878,-5.28,-3.39,-5.807747140989192
COc1ccc([C@@H]2Nn3c(C)ccc3S[C@H]2C(=O)Nc2ccc(Br)cc2F)cc1,C11115852_decoy,ITAL,Decoy,0,-9.0721,-8.91,-2.64,-10.219687216351971
Cc1cc(Br)c(NCC(=O)N/N=C/c2ccc(F)cc2)c(Br)c1,C01051741_decoy,ITAL,Decoy,0,-8.2303,-8.28,-1.76,-7.868390539180575
C/C(=N/NC(=O)COc1c(C)cc(Br)cc1Br)c1ccc(O)cc1,C12483282_decoy,ITAL,Decoy,0,-8.46912,-7.86,-2.02,-8.165909332693547
Cc1ccc(NC(=S)N(Cc2ccc(F)cc2)Cc2cc3ccc(C)cc3[nH]c2=O)cc1,C00875303_decoy,ITAL,Decoy,0,-8.73575,-10.14,-2.98,-11.723368579172782
CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)C(=S)Nc3ccc(C)cc3)cc2c1,C00884432_decoy,ITAL,Decoy,0,-9.29199,-9.07,-1.43,-8.95041262221674
O=C(C[C@H]1Sc2ccccc2NC1=O)Nc1ncc(Cc2c(Cl)cccc2Cl)s1,C14244056_decoy,ITAL,Decoy,0,-9.60639,-8.29,-2.2,-11.251665432479516
O=S(=O)(NC[C@@H]1CCCO1)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc3ccccc3c1)N2,C14475520_decoy,ITAL,Decoy,0,-9.90282,-8.97,-1.58,-9.407641393816728
Cc1cc(C)c(NC(=S)NC(=O)c2ccc(OCCC(C)C)c(Br)c2)c(C)c1,C14645791_decoy,ITAL,Decoy,0,-8.49746,-7.46,-2.52,-7.140868528755973
CCOc1ccc(Br)cc1C(=O)NNC(=O)c1ccc(C)c(Br)c1,C14655012_decoy,ITAL,Decoy,0,-7.92737,-6.91,-1.37,-7.154510648383496
C[C@@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S,C15046971_decoy,ITAL,Decoy,0,-8.89066,-7.43,-2.51,-8.317639464860722
C[C@H](C(=O)Nc1ccc(O)cc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S,C15046974_decoy,ITAL,Decoy,0,-7.46311,-8.0,-2.74,-6.480773677532485
C[C@@H](Oc1ccc(F)cc1)C(=O)NNC(=O)c1cc(Br)c(Br)s1,C15384014_decoy,ITAL,Decoy,0,-8.11529,-6.41,-2.32,-6.923170900047549
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(F)ccc2F)c1,C16447528_decoy,ITAL,Decoy,0,-8.10036,-9.27,-2.71,-7.699017499813952
O=C(NC(=S)Nc1ccccc1OC(F)F)c1cccc(I)c1,C01263876_decoy,ITAL,Decoy,0,-8.68545,-8.18,-2.9,-8.15095623824381
CC1=C(C(=O)Nc2ccc(F)cc2F)[C@H](c2cccnc2)C2=C(C[C@H](c3ccccc3)CC2=O)N1,C19850890_decoy,ITAL,Decoy,0,-8.71779,-6.16,-1.27,-5.8676591250079
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2ccccn2)C2=C(C[C@@H](c3ccccc3)CC2=O)N1,C01175698_decoy,ITAL,Decoy,0,-8.25364,-5.02,-2.07,-5.517392598262708
CC1=C(C(=O)Nc2ccc(F)cc2)[C@@H](c2cccnc2)C2=C(C[C@@H](c3cccs3)CC2=O)N1,C12416397_decoy,ITAL,Decoy,0,-8.42225,-4.86,-2.47,-5.109828700827499
Cc1ccc(NC(=O)CSC2=C(C#N)[C@H](c3cccc(Br)c3)CC(=O)N2)cc1,C08969654_decoy,ITAL,Decoy,0,-8.83427,-8.31,-1.87,-10.648261902148413
COc1ccc(/C=C2/Sc3ccc(C(=O)NCCc4ccc(C)cc4)cc3NC2=O)cc1,C20734159_decoy,ITAL,Decoy,0,-8.03446,-7.15,-3.44,-6.505549159697077
O=C(NC[C@H]1CCCO1)c1cccc2c1N[C@H](c1c3ccccc3cc3ccccc13)[C@H]1CC=C[C@H]21,C20753578_decoy,ITAL,Decoy,0,-6.91208,-7.57,-1.52,-5.570641916539578
N#CC1(c2ccc(NC(=S)NC(=O)c3cc(Br)ccc3Cl)cc2)CCCC1,C30828450_decoy,ITAL,Decoy,0,-8.77567,-6.98,-2.62,-6.847300782390263
C=CCSc1nc2c(c(=O)[nH]1)[C@@H](c1ccccc1Br)C1=C(CCCC1=O)N2,C33809957_decoy,ITAL,Decoy,0,-7.80836,-5.07,-1.49,-5.183491631407426
CN(C)c1ccc([C@@H]2C[C@]3(C)[C@@H](CC[C@]3(O)/C=C/CO)[C@H]3CCC4=CC(=O)CCC4=C23)cc1,C34070008_decoy,ITAL,Decoy,0,-8.84715,-5.35,-2.36,-5.42939383864161
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(O)cc1)N2,C36550957_decoy,ITAL,Decoy,0,-8.46984,-6.79,-2.06,-6.214467445196597
Nc1cccc(OCCOc2c(Br)cc(Br)cc2Br)c1,C37114611_decoy,ITAL,Decoy,0,-9.18255,-3.76,-1.51,-5.395254148591979
N#CC1=C(N)Oc2cc(OC(=O)Cc3ccccc3)ccc2[C@@H]1c1cccc(Br)c1,C38651558_decoy,ITAL,Decoy,0,-8.71055,-9.82,,99.0
CCOC1=C2Nc3ccccc3C[NH+]2[C@@H](C(=O)N(I)c2ccccc2)C1,C39545331_decoy,ITAL,Decoy,0,-8.70431,-9.34,-2.03,-10.9402259688213
CC1(C)C[C@H](NC(=O)c2cccc(F)c2)[C@@]2(CCC(=O)N3CCCC3)CC[C@](C)(O)C[C@@H]12,C12531559_decoy,ITAL,Decoy,0,-9.20333,-10.62,-1.78,-12.265269683962083
C[C@H](c1cccs1)N(C)S(=O)(=O)c1c(N)cc(Br)cc1Br,C40334334_decoy,ITAL,Decoy,0,-8.73188,-6.56,-0.77,-8.090580077038073
O=C(Cc1ccc(NC(=O)c2ccccc2I)cc1)NCC(F)(F)F,C44035955_decoy,ITAL,Decoy,0,-7.50653,-8.11,-3.46,-7.000132649004426
Cc1csc(CCNC(=O)Nc2cc(Br)ccc2I)n1,C49030576_decoy,ITAL,Decoy,0,-9.46119,-6.99,-1.24,-8.298164536236126
Cc1ccc2ccc([C@H](Nc3ccc(Cl)c(C(F)(F)F)c3)c3ccncc3)c(O)c2n1,C54620586_decoy,ITAL,Decoy,0,-8.02379,-9.22,-3.69,-7.702639736837725
Cc1cc(N/C(=N\S(=O)(=O)c2ccc(Br)cc2)c2ccccc2)ccc1O,C06023530_decoy,ITAL,Decoy,0,-9.1858,-8.49,-2.67,-8.89034323654911
CC1=C(C(=O)Nc2cccc(F)c2)[C@H](c2ccccn2)C2=C(C[C@H](c3ccccc3)CC2=O)N1,C08415310_decoy,ITAL,Decoy,0,-8.56314,-5.57,-2.89,-6.106496304660467
COc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@@H](c3cccs3)N2)c1O,C58083310_decoy,ITAL,Decoy,0,-10.1566,-6.41,-1.8,-7.784357104403708
CCOc1cccc([C@H]2CC(c3ccc(Br)cc3)=N[C@H](c3ccc(F)cc3)N2)c1O,C53363045_decoy,ITAL,Decoy,0,-8.25092,-5.61,-2.9,-5.762672091362581
C[C@H]1CCc2sc(C(=O)NNC(=O)N(C)Cc3ccc(Br)s3)cc2C1,C09793867_decoy,ITAL,Decoy,0,-7.19974,-7.86,-2.47,-5.267515343625958
CCOc1c(Br)cc(CNC[C@H](O)c2ccc(F)cc2)cc1Br,C58792244_decoy,ITAL,Decoy,0,-8.03963,-6.69,-3.06,-6.684825650859555
COc1cccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2ccccc2F)N3)c1,C58848705_decoy,ITAL,Decoy,0,-8.36944,-7.22,-1.71,-6.9797103417853945
Cc1ccc(NC(=O)CSc2nc3ccc(NC(=O)C(F)(F)F)cc3s2)c(F)c1,C59041145_decoy,ITAL,Decoy,0,-7.87122,-7.66,-1.51,-6.608223812067594
O=C(NC(=S)Nc1ccc2c(c1)oc1ccccc12)c1ccc(I)cc1,C59437544_decoy,ITAL,Decoy,0,-7.39764,-7.24,-1.52,-4.868045210748487
C/C(=N/NC(=O)COc1ccc(Br)cc1Br)c1cccc(O)c1,C66185358_decoy,ITAL,Decoy,0,-8.48735,-7.71,-2.04,-9.55980743982302
Cc1ccc(S(=O)(=O)N(C[C@@H](O)Cn2c3ccccc3c3ccccc32)c2ccc(Cl)cc2)cc1,C00633586_decoy,ITAL,Decoy,0,-10.7464,-9.04,-1.73,-9.725370508291508
CCOC(=O)c1c(-c2ccc(F)cc2)csc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12,C02886658_decoy,ITAL,Decoy,0,-8.39521,-7.99,-1.86,-9.184182452550182
CC1=NC2=C(C(=O)CC(C)(C)C2)[C@H](c2ccc(OCc3ccccc3)cc2)C1C(=O)Nc1ccccc1C,C06444374_decoy,ITAL,Decoy,0,-9.87485,-6.09,-3.62,-6.483998908936889
CCOc1cc(Br)c(/C=C2\S/C(=N/c3ccc(C)c(Cl)c3)NC2=O)cc1OCC,C08452955_decoy,ITAL,Decoy,0,-8.6325,-7.26,-1.68,-7.427761011233659
Cc1ccc(NC(=O)COc2ccc3c(=O)c(-c4ccccc4Cl)c(C(F)(F)F)oc3c2)c(C)c1,C01987300_decoy,ITAL,Decoy,0,-8.07343,-9.2,-2.86,-7.206565036984196
CC1(C)Cc2c(sc3nc(SCc4ccccc4)nc(SCC(=O)Nc4ccccc4)c23)CO1,C08768981_decoy,ITAL,Decoy,0,-10.0662,-8.83,-3.61,-8.874015468551988
COC(=O)c1ccccc1OC(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Br)cc1)N2,C08741363_decoy,ITAL,Decoy,0,-7.81975,-8.25,-2.77,-8.712028377949796
CC(C)c1ccc(NC(=O)CSc2nnc(-c3cccc(Br)c3)n2-c2ccccc2)cc1,C02181424_decoy,ITAL,Decoy,0,-9.32419,-5.24,-2.38,-6.756834842365983
Cc1cccc(Cn2c(SCc3ccc(F)cc3)nc3ccc(C(=O)NCc4ccccc4)cc32)c1,C08911744_decoy,ITAL,Decoy,0,-8.36544,-8.86,-3.49,-8.065271851215103
C=C(C)Cn1c(SCC(=O)Nc2ccccc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,C01834793_decoy,ITAL,Decoy,0,-8.27332,-7.76,-3.81,-8.175892617518295
Cc1cc(Br)cc2c(C(=O)Nc3ccc(C(=O)OC(C)C)cc3)cc(-c3ccccc3)nc12,C09371736_decoy,ITAL,Decoy,0,-8.06987,-5.89,-2.07,-5.828641405446276
N#C/C(=C/c1ccc(-c2ccc(Cl)cc2Cl)o1)C(=O)Nc1ncc(Cc2ccc(F)cc2)s1,C09404121_decoy,ITAL,Decoy,0,-8.46324,-8.71,-2.77,-8.383352963816892
CC1=NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H](c2ccc(O)cc2)C1C(=O)OCCc1ccccc1,C09680321_decoy,ITAL,Decoy,0,-10.474,-8.42,-2.54,-10.716395118461518
COc1ccc(C(=O)NC(=S)N2N=C3/C(=C/c4ccc(F)cc4)CCC[C@H]3[C@@H]2c2ccc(F)cc2)cc1,C12311227_decoy,ITAL,Decoy,0,-8.26598,-9.33,-4.45,-9.5297930885744
O=C(CSc1nc2scc(-c3ccccc3)c2c(=O)n1-c1ccccc1)Nc1cccc2ccccc12,C03267308_decoy,ITAL,Decoy,0,-9.48274,-7.63,-3.82,-7.493458611042668
C[C@H]1CCc2c(sc3nc(SCC(=O)Nc4ccc(C(C)(C)C)cc4)n(-c4ccccc4)c(=O)c23)C1,C12625196_decoy,ITAL,Decoy,0,-8.57401,-7.9,-2.87,-7.3850491896018
CN(c1ccc(C(=O)Nc2ccc(C34CC5CC(CC(C5)C3)C4)cc2)cc1)S(=O)(=O)c1cccs1,C13680204_decoy,ITAL,Decoy,0,-8.31697,-6.38,-3.81,-6.154531818193441
CCN(C(=O)c1ccc(NC(=O)COc2ccc(C)cc2Br)cc1)c1cccc2ccccc12,C14005446_decoy,ITAL,Decoy,0,-7.75631,-5.85,-3.69,-6.11998616900768
CC(C)CN(CC(C)C)C(=S)Oc1ccc(C(=O)Nc2ccc(I)cc2)cc1,C03112757_decoy,ITAL,Decoy,0,-8.33864,-7.01,-3.91,-8.875206394000482
Cc1ccsc1CCN1C(=S)N(c2ccc(Cl)cc2)C(=O)[C@H]1CC(=O)Nc1ccc(F)cc1,C01442565_decoy,ITAL,Decoy,0,-10.0484,-8.77,-2.08,-8.79378389885063
Cc1ccc(-n2c(SCC(=O)Nc3ccc(C)cc3Br)nnc2-c2cccc(C)c2)cc1,C16788949_decoy,ITAL,Decoy,0,-9.22987,-4.74,-4.13,-5.515359875442446
CCN(CC)c1ccc(-c2nc3cc(NC(=O)c4cc(Br)ccc4Cl)ccc3o2)cc1,C16678580_decoy,ITAL,Decoy,0,-8.6761,-5.4,-1.81,-5.169849040990068
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCc2ccccc2)[C@H]3c2cccc(F)c2)cc1,C01201733_decoy,ITAL,Decoy,0,-7.32734,-5.06,,99.0
CCCCCC(=O)N1c2cc(C)ccc2NC2=C(C(=O)C[C@H](c3ccccc3)C2)[C@H]1c1ccc(OC)cc1,C09076000_decoy,ITAL,Decoy,0,-8.01494,-4.9,-1.3,-5.970000493401647
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@H]1c1ccccc1OCc1ccc(Cl)cc1Cl,C19804579_decoy,ITAL,Decoy,0,-8.25339,-8.85,-3.2,-12.471521889688466
CC1=C(C(=O)OC2CCCCC2)[C@H](c2ccccc2OC(C)C)C2=C(C[C@H](c3ccccc3)CC2=O)N1,C03098525_decoy,ITAL,Decoy,0,-8.07647,-8.71,-2.12,-11.044549211940334
CC(C)(C)c1ccc(-c2nnc(SCC(=O)Nc3ccc(F)c(F)c3)n2-c2ccc(Cl)cc2)cc1,C19811065_decoy,ITAL,Decoy,0,-9.85865,-9.04,-1.87,-8.707782222590058
COC(=O)C1=C(C)NC2=C(C(=O)CC(C)(C)C2)[C@@H]1c1cc(COc2ccc(Cl)cc2C)c(C)cc1C,C08441740_decoy,ITAL,Decoy,0,-8.11143,-9.11,-3.66,-8.19010627730646
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1Cl,C02758186_decoy,ITAL,Decoy,0,-9.1994,-5.04,-1.01,-6.054533046783114
CC[C@H]1CCc2c(sc(NC(=O)c3cc(-c4ccc(Cl)s4)nc4ccccc34)c2C(=O)OC)C1,C02737207_decoy,ITAL,Decoy,0,-9.34589,-6.31,-4.74,-6.295630314693583
CC[C@@H](C)Oc1ccc(C(=O)Nc2ccc3oc(-c4cc(Br)ccc4Cl)nc3c2)cc1,C20972485_decoy,ITAL,Decoy,0,-8.87723,-6.33,-2.78,-7.579393450333754
CCCCc1ccc(-n2nc3cc(C)c(NC(=O)c4ccc(I)cc4)cc3n2)cc1,C22834415_decoy,ITAL,Decoy,0,-8.02105,-4.98,-1.91,-4.831240622737706
O[C@H](COc1ccc(C23CC4CC(CC(C4)C2)C3)cc1)CN1CCN(c2cccc(C(F)(F)F)c2)CC1,C26780786_decoy,ITAL,Decoy,0,-7.71178,-8.79,-3.58,-7.103259831453471
C=C(C)Cn1c(SCC(=O)Nc2ccc(C)c(C)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,C26895712_decoy,ITAL,Decoy,0,-7.78597,-8.19,-1.81,-7.400031878022774
COc1ccc(-c2c3n4c(c(-c5ccc(F)cc5)nc4n2C(=S)Nc2ccccc2)CCCC3)cc1,C28527674_decoy,ITAL,Decoy,0,-8.23043,-9.0,-2.63,-8.110053051333082
Cc1ccc(C)c(NC(=O)CSc2nnc(-c3ccccc3Br)n2C2CCCCC2)c1,C32685817_decoy,ITAL,Decoy,0,-7.8915,-9.55,-2.44,-8.169600433988377
O[C@@H](CN1CCCc2ccccc21)Cn1c([C@H](Sc2ccccc2)c2ccccc2)nc2ccccc21,C35099221_decoy,ITAL,Decoy,0,-10.1994,-8.92,-2.92,-9.898079173923048
CCCn1c(SCCNC(=O)c2cccc(C(F)(F)F)c2)nc(-c2ccccc2)c1-c1ccccc1,C35689652_decoy,ITAL,Decoy,0,-8.90714,-9.5,-1.92,-9.7300847870113
COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C(=O)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)c2cccc(Cl)c2)cc1,C36481523_decoy,ITAL,Decoy,0,-8.40993,-4.95,-4.7,-6.341234071251309
COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)c2cccc(Cl)c2)cc1,C36481524_decoy,ITAL,Decoy,0,-9.31293,-6.37,-2.59,-8.908509662714215
Cc1ccc(C)c(-n2c(CNC(=O)C34CC5CC(CC(C5)C3)C4)nnc2S[C@@H](C)c2ccccc2)c1,C39708445_decoy,ITAL,Decoy,0,-8.93001,-8.39,-3.06,-9.584084391516113
Cc1ccc(C)c(-n2c(CNC(=O)C34CC5CC(CC(C5)C3)C4)nnc2S[C@H](C)c2ccccc2)c1,C39708446_decoy,ITAL,Decoy,0,-8.88169,-9.61,-3.93,-12.772937120496696
C[C@@H](Nc1oc(-c2ccc(Br)cc2)nc1S(=O)(=O)c1ccc(Cl)cc1)c1ccccc1,C39845079_decoy,ITAL,Decoy,0,-8.30698,-8.64,-3.31,-9.090620183717736
CC(=O)NC[C@H](C)CCC1=C(C)[C@H]2[C@]3(C)CC[C@@H]4[C@H](CC=C5C[C@@H](OC(C)=O)CC[C@]54C)[C@@H]3C[C@@]2(C)O1,C43736459_decoy,ITAL,Decoy,0,-8.25648,-6.55,-1.99,-9.262156813879953
Cc1ccc(-n2nc(-c3ccccc3)c3c2NC(=O)CS[C@H]3c2ccc(OCc3ccccc3)cc2)cc1,C09307123_decoy,ITAL,Decoy,0,-7.67838,-5.91,-4.29,-5.596429388712258
CCCCOc1ccc([C@H]2Oc3ccc(Br)cc3[C@@H]3C=C(c4ccc(OC)cc4)NN23)cc1,C01769641_decoy,ITAL,Decoy,0,-8.14766,-5.99,-2.2,-6.067471709672152
Cc1c(/C=N/NC(=O)c2ccc(-n3c(-c4ccccc4)ccc3-c3ccccc3)cc2)c2ccccc2n1C,C59302839_decoy,ITAL,Decoy,0,-7.28123,-6.41,-1.81,-6.00425701358492
COc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2C)cc(Br)c1OCc1ccc(C)cc1,C59474998_decoy,ITAL,Decoy,0,-8.42517,-8.23,-3.18,-7.280853725180603
COc1cccc(/N=C/c2cc(C)n(-c3sc4c(c3C(=O)Nc3ccc(C)cc3)CCCC4)c2C)c1,C59679678_decoy,ITAL,Decoy,0,-9.18735,-8.23,-2.73,-8.166558718670055
CC1=C(C(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)C[C@@H](C)N1Cc1ccccc1Cl,C39946141_decoy,ITAL,Decoy,0,-9.72274,-8.59,-4.47,-7.652159743730282
Cc1ccc(-c2nnc(SCC(=O)Nc3cccc(C(F)(F)F)c3)n2-c2cccc3ccccc23)cc1,C02074080_decoy,ITAL,Decoy,0,-9.31943,-10.74,,99.0
COc1ccc(NC(=O)[C@H](c2ccc(C(C)C)cc2)N(Cc2ccc(C)cc2)C(=O)Cc2ccccc2)cc1,C03764985_decoy,ITAL,Decoy,0,-9.26311,-10.19,-2.27,-10.424622110748832
C[C@H](Oc1c(-c2ccc(C(C)(C)C)cc2)oc2ccc(Cl)cc2c1=O)C(=O)Nc1ccc(Cl)cc1,C01925341_decoy,ITAL,Decoy,0,-10.3156,-9.19,-4.1,-12.132036954108152
CCCCn1c(SCC(=O)Nc2ccc(C)cc2C)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,C02320808_decoy,ITAL,Decoy,0,-8.14865,-8.52,-3.35,-7.728742400954905
CC(C)(C)c1ccccc1NC(=O)CSc1nnc(-c2ccc(Cl)cc2)n1-c1ccc(Cl)cc1,C02446959_decoy,ITAL,Decoy,0,-10.0539,-7.35,-4.18,-8.779986682720494
CCOc1cccc(NC(=O)/C(C#N)=C/c2cc(-c3ccccc3)n(-c3ccccc3)c2-c2ccccc2)c1,C09311013_decoy,ITAL,Decoy,0,-9.84244,-7.15,-2.19,-7.502765109902748
CCOC(=O)c1c(NC(=O)CSc2cn(Cc3cccc(C)c3)c3ccccc23)sc2c1CCCC2,C09391738_decoy,ITAL,Decoy,0,-10.0314,-6.22,-1.99,-6.730597343806957
Cn1c(SCC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)nnc1-c1ccc(C(C)(C)C)cc1,C09480185_decoy,ITAL,Decoy,0,-8.47635,-10.01,-2.26,-9.211604234951086
CCCCOc1ccc([C@@H](C)NC(=O)[C@@H](C)[C@H]2Sc3ccccc3N(Cc3cc(C)ccc3C)C2=O)cc1,C09692991_decoy,ITAL,Decoy,0,-10.6788,-9.6,-3.23,-12.11594941401928
Cc1ccc(O)c(C(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@@H](C(C)(C)C)C4)c1,C12447019_decoy,ITAL,Decoy,0,-9.05557,-6.33,-4.5,-6.519178436726839
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)c5ccccc5)CC[C@@]4(C)[C@@H]3C[C@H](O)[C@]21C,C13362201_decoy,ITAL,Decoy,0,-8.87208,-7.58,-2.82,-6.736236263800493
CCOc1ccc(-c2c3c4n(c(-c5ccccc5)cn4c2C(=O)Nc2ccc(Cl)cc2)CCCC3)cc1,C02432145_decoy,ITAL,Decoy,0,-9.83951,-5.36,-3.78,-6.4417745581295
CCCCCC(=O)N1c2ccccc2NC2=C(C(=O)C[C@H](c3ccc(C)cc3)C2)[C@@H]1c1ccc(OC(C)C)cc1,C09380735_decoy,ITAL,Decoy,0,-9.59213,-8.02,-2.77,-8.468211074805415
Cc1ccc(CCCNC(=O)c2ccccc2N(Cc2ccccc2)S(=O)(=O)c2ccc(C)cc2)cc1,C13613713_decoy,ITAL,Decoy,0,-7.77426,-8.86,-3.9,-8.792759720316976
CCOc1ccc(-c2c3c4n(c(-c5ccccc5)cn4c2C(=O)Nc2ccccc2Cl)CCCC3)cc1,C02437471_decoy,ITAL,Decoy,0,-9.97722,-9.95,-2.96,-15.149384641387666
COc1ccc(CN(Cc2ccc(O)cc2)/C(=N/c2ccc(OC)cc2)Sc2ccc(Cl)cc2)cc1,C15779224_decoy,ITAL,Decoy,0,-9.96598,-8.26,-2.57,-11.886872747471338
Cc1ccc(-n2c(SCc3ccccc3)nnc2[C@@H](Cc2ccccc2)NC(=O)C(C)(C)CCl)cc1,C16568795_decoy,ITAL,Decoy,0,-9.66121,-8.48,-2.98,-8.93892593791693
CC1=C(C(=O)OCCOc2ccccc2)[C@@H](c2cccc(Cl)c2)C2=C(C[C@H](c3ccccc3)CC2=O)N1,C02063224_decoy,ITAL,Decoy,0,-8.45524,-7.26,-2.86,-7.078354841041746
CCOc1ccc([C@H]2C(C(=O)OCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2ccc(Cl)cc2)C3)cc1,C04112013_decoy,ITAL,Decoy,0,-9.59547,-8.14,-1.87,-12.04045226050748
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@H]1c1ccc(Cl)cc1,C02731664_decoy,ITAL,Decoy,0,-10.0126,-7.71,-1.47,-14.623982748597488
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Cl)cc1,C02731667_decoy,ITAL,Decoy,0,-8.84362,-6.94,-3.58,-8.68455937956644
Cc1ccc(C(C)C)c(OCC(=O)Nc2ccc3oc(-c4cc(Br)ccc4Cl)nc3c2)c1,C20498208_decoy,ITAL,Decoy,0,-9.03697,-9.34,-2.21,-8.231035992757757
CCCCc1ccc(-c2c(C)sc(NC(=O)COc3ccc(Br)cc3)c2C(=O)OC)cc1,C02758548_decoy,ITAL,Decoy,0,-7.48765,-5.52,-3.2,-6.293131482595113
CCCCOc1ccc([C@@H](C)NC(=O)CN2C(=O)/C(=C/c3ccc(Cl)cc3)Sc3ccccc32)cc1,C20726399_decoy,ITAL,Decoy,0,-9.28783,-6.94,-3.86,-7.860107438041733
COC(=O)CC[C@H](C)[C@H]1CC[C@@H]2[C@@H]3CC[C@@H]4C[C@H](OC(=O)c5ccccc5)CC[C@]4(C)[C@@H]3C[C@H](O)[C@@]21C,C26570866_decoy,ITAL,Decoy,0,-9.92901,-7.36,-2.92,-7.917527200181396
C=C(C)Cn1c(S[C@@H](C)C(=O)Nc2ccc(C)c(C)c2)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,C26895726_decoy,ITAL,Decoy,0,-8.78108,-6.06,-3.74,-6.651425568414571
CCOC(=O)c1c(-c2ccc(CC)cc2)csc1NC(=O)COc1c(C)cc(Br)cc1C,C01979836_decoy,ITAL,Decoy,0,-9.59226,-6.82,-2.86,-7.838656997331222
CCCc1ccc(OCC(=O)Nc2sc(C)c(-c3ccccc3)c2C(=O)OCC)c(Br)c1,C01990547_decoy,ITAL,Decoy,0,-8.91465,-6.66,-3.03,-7.520238654935664
COc1ccc(-c2cc(C(=O)NCCC(c3ccccc3)c3ccccc3)c3cc(C)ccc3n2)c(OC)c1,C35218300_decoy,ITAL,Decoy,0,-9.60369,-5.93,-4.12,-5.97899650496024
Cc1cccc(Cn2cccc2CN(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)[C@@H](C)C(C)C)c1,C35299759_decoy,ITAL,Decoy,0,-7.43095,-10.54,-2.57,-10.765074592998774
Cc1ccc(NC(=O)N(CCc2csc3nc(-c4ccc(Cl)cc4)cn23)Cc2ccccc2)cc1C,C35494069_decoy,ITAL,Decoy,0,-8.12127,-9.23,-4.55,-8.34535791728366
O=C(NC1CCCCC1)[C@@H](C1CCCCC1)N(Cc1ccco1)C(=O)/C(=C\c1ccccc1)c1ccccc1,C36493779_decoy,ITAL,Decoy,0,-9.83952,-7.71,-3.46,-10.149472959817636
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)/C(=C\c2ccccc2)c2ccccc2)c(C)c1,C36493806_decoy,ITAL,Decoy,0,-9.23702,-4.29,-4.38,-6.07098989161358
COc1ccc([C@@H](C(=O)NC(C)(C)C)N(C)C(=O)CCCc2cc3cccc4ccc5cccc2c5c43)cc1,C36524896_decoy,ITAL,Decoy,0,-8.46931,-9.6,-2.08,-8.58257486559135
Cc1ccc(CN(C(=O)CCC2CCCCC2)[C@H](C(=O)NC(C)(C)C)c2cc3ccccc3c3ccccc23)o1,C36556988_decoy,ITAL,Decoy,0,-9.21589,-9.28,-2.91,-10.751416009403169
Cc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccc(Cl)cc2)o1,C36558908_decoy,ITAL,Decoy,0,-8.94058,-8.14,-3.32,-10.653044777661794
N#CN(Nc1ccccc1)c1nc(-c2ccc(Br)cc2)cc(-c2ccc(-c3ccccc3)cc2)n1,C39413717_decoy,ITAL,Decoy,0,-9.30577,-8.01,-1.84,-7.364736804646733
Cc1ccc(C)c(OCCCCn2c(CCNC(=O)c3ccc(Br)cc3)nc3ccccc32)c1,C40201089_decoy,ITAL,Decoy,0,-8.88767,-8.45,-3.11,-8.18242537926425
Cc1cccc(C)c1OCCCn1c(CCCNC(=O)c2ccc(Br)cc2)nc2ccccc21,C40208218_decoy,ITAL,Decoy,0,-8.4541,-8.12,-2.99,-9.10992596368261
CCOC(=O)c1c(NC(=O)CCCOc2ccc(C(C)C)cc2Br)sc2c1CC[C@H](C)C2,C40948583_decoy,ITAL,Decoy,0,-9.01551,-8.34,-4.72,-8.058596844575973
CCc1ccc(-c2csc(NC(=O)CCCOc3ccc(C)cc3Br)c2C(=O)OC)cc1,C41017153_decoy,ITAL,Decoy,0,-8.11314,-8.37,-3.76,-7.851692609348336
COc1ccc(Cn2c(-c3csc(-c4ccccc4)n3)cc(C(=O)NCCC3=CCCCC3)c2C)cc1,C43252148_decoy,ITAL,Decoy,0,-10.0952,-8.48,-3.18,-12.657975470551744
COc1ccc([C@H](C(=O)NC(C)(C)C)N(C(=O)/C(=C\c2ccccc2)c2ccccc2)c2ccccc2)cc1,C36604200_decoy,ITAL,Decoy,0,-7.96641,-5.21,-2.91,-6.330148292073234
O=C(NC1CCCCC1)[C@H](C(c1ccccc1)c1ccccc1)N(C(=O)CCC1CCCCC1)c1ccccc1,C36605844_decoy,ITAL,Decoy,0,-8.8226,-10.1,-3.34,-11.08187050761534
CC(C)(C)CC(C)(C)NC(=O)[C@@H](c1ccco1)N(C(=O)Cc1ccc(Br)cc1)c1ccccc1,C36607906_decoy,ITAL,Decoy,0,-7.72032,-7.18,-2.38,-7.910685713842408
CC[C@H](C)c1ccc(OCC(=O)Nc2ccc3oc(-c4cc(Br)ccc4Cl)nc3c2)cc1,C22838395_decoy,ITAL,Decoy,0,-8.57594,-6.67,-2.85,-6.800889560408581
CCCCOc1ccc(C(=O)Nc2ccc3nc(SC(=O)Cc4ccc(Cl)cc4)sc3c2)cc1,C59517670_decoy,ITAL,Decoy,0,-10.3444,-8.44,-2.74,-9.269553636819705
CCC/C(=N\CCC1=c2cc(OCc3ccccc3)ccc2=[NH+][C@@H]1C)C1=C([O-])C[C@H](c2ccccc2)CC1=O,C63514671_decoy,ITAL,Decoy,0,-10.3766,-8.5,-3.12,-9.19458407046307
CCCC/C(=N\CCC1=c2cc(OC(F)(F)F)ccc2=[NH+][C@H]1C)C1=C([O-])C[C@H](c2ccccc2)CC1=O,C63514740_decoy,ITAL,Decoy,0,-8.25615,-9.09,-2.98,-8.316472253101649
C[C@]1(O)C/C(=N\N=C(c2ccccc2)c2ccccc2)[C@@H](C(=O)OCc2ccccc2)[C@@H](c2ccccc2)C1,C66091563_decoy,ITAL,Decoy,0,-8.58375,-9.55,-3.9,-8.865511842850376
COc1ccc(OCCn2cc(/C=C3\S/C(=N\c4ccccc4)N(C4CC4)C3=O)c3ccccc32)cc1,C02175885_decoy,ITAL,Decoy,0,-8.12375,-6.56,-3.73,-5.770764416227805
CCCCN1C(=O)C(=C2Sc3ccc(Cl)cc3N2CC)S/C1=N\c1ccc(C(=O)OCC)cc1,C08722139_decoy,ITAL,Decoy,0,-9.26482,-6.74,-2.75,-7.881180240882841
COC(=O)C1=C(C)N=c2s/c(=C/c3cn(Cc4ccc(F)cc4)c4ccccc34)c(=O)n2[C@@H]1c1ccc(C(C)C)cc1,C08749867_decoy,ITAL,Decoy,0,-10.5277,-8.99,-4.07,-9.246204804826672
Cc1cc(C)cc(OCC(=O)Oc2ccc3c(=O)c(Oc4cc(C)ccc4C)c(C(F)(F)F)oc3c2)c1,C01936472_decoy,ITAL,Decoy,0,-8.06131,-8.75,-1.91,-8.81156514696901
O=C(C1=NN(c2ccccc2)C(c2ccccc2)=C[P@]1(=S)c1ccccc1)c1ccc([N+](=O)[O-])cc1,C09142777_decoy,ITAL,Decoy,0,-6.9469,-8.5,-2.27,-6.924270510268718
CCCCOc1ccc(-c2nc(SCc3ccc(Cl)cc3)c3c4c(sc3n2)COC(C)(C)C4)cc1,C02239216_decoy,ITAL,Decoy,0,-10.6975,-7.75,-1.94,-7.798422895276561
Clc1ccccc1CSc1nnc2c3c4c(sc3nc(SCc3ccccc3)n12)CCCC4,C02264456_decoy,ITAL,Decoy,0,-10.0236,-9.91,-3.06,-11.158797403177092
CCCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc4ccccc4n3c2=O)cc1,C09463589_decoy,ITAL,Decoy,0,-9.35618,-6.59,-2.42,-6.729791272885109
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(Cl)ccc(Cl)c3n2CC)cc1,C08798007_decoy,ITAL,Decoy,0,-9.26581,-5.54,-2.21,-6.60767360015792
CCOC(=O)c1c(CSc2nnc(-c3ccccc3)n2-c2ccc(Cl)cc2)nc2ccccc2c1C,C02626350_decoy,ITAL,Decoy,0,-9.46299,-9.4,-3.88,-12.932431164712533
CC[C@H](C)OC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(Cl)cc1,C13388581_decoy,ITAL,Decoy,0,-8.30373,-4.02,-2.1,-5.914474708623512
C[C@@H]1CC[C@](C)(C(=O)c2cc(C(=O)[C@@]3(C)CC[C@@H](C)C3(C)C)cc(C(=O)[C@@]3(C)CC[C@@H](C)C3(C)C)c2)C1(C)C,C13405341_decoy,ITAL,Decoy,0,-9.26611,-7.62,-3.24,-9.968185647925898
C[C@@H]1CC[C@](C)(C(=O)c2cc(C(=O)[C@@]3(C)CC[C@@H](C)C3(C)C)cc(C(=O)[C@@]3(C)CC[C@H](C)C3(C)C)c2)C1(C)C,C13405345_decoy,ITAL,Decoy,0,-9.03309,-7.2,-3.48,-9.323317278351372
CC(C)c1ccc(OC(=O)c2ccc(OCCc3ccccc3)c(Br)c2)c(Br)c1,C14783376_decoy,ITAL,Decoy,0,-7.9447,-7.87,-2.16,-7.687833709468064
Cc1cc(C)c(CSc2nc(C)c(Cc3cccc4ccccc34)c(=O)n2Cc2cc(C)ccc2C)c(C)c1,C16881378_decoy,ITAL,Decoy,0,-9.47764,-5.82,-2.33,-5.980059536864657
CCOc1cc(/C=c2\sc3nc4ccccc4n3c2=O)ccc1OCCOc1ccc([C@H](C)CC)cc1,C34782968_decoy,ITAL,Decoy,0,-9.03216,-7.16,-4.21,-6.346665726357672
Cc1ccc(CN(C[C@@]2(C)CCC[C@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)C(=O)c2ccc(F)cc2)cc1,C35689511_decoy,ITAL,Decoy,0,-9.74602,-9.51,-3.8,-10.712205476083144
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2cc(C)cc(C)c21,C36630847_decoy,ITAL,Decoy,0,-9.03643,-8.13,-2.69,-10.965217000754386
C=CCN1C(=O)/C(=C2\Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccc(/C=C/c2ccccc2)cc1,C17418683_decoy,ITAL,Decoy,0,-8.59779,-6.09,-3.79,-6.44160183855505
CC(C)=CCCC1=CC[C@H](C2OCC3(CO2)COC([C@@H]2CC=C(CCC=C(C)C)C[C@@H]2C)OC3)[C@@H](C)C1,C12489971_decoy,ITAL,Decoy,0,-10.2933,-7.67,-3.47,-8.766501888087841
CC(C)CCC[C@@H](C)[C@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)CCBr)CC[C@]4(C)[C@@H]3CC[C@]12C,C08383657_decoy,ITAL,Decoy,0,-9.54988,-7.11,-3.66,-10.388910850499752
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccc4ccccc4c3n2C)cc1,C39716160_decoy,ITAL,Decoy,0,-8.2837,-6.98,-2.13,-6.654426202909171
CCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC(C)C)CC(C)C)cc2)sc2cc(CC)ccc21,C36688091_decoy,ITAL,Decoy,0,-9.40078,-8.05,-3.19,-8.763628479590938
Cc1cccc2s/c(=N\C(=O)CCCCCCCCC(=O)/N=c3\sc4cccc(C)c4n3C)n(C)c12,C39721103_decoy,ITAL,Decoy,0,-8.57861,-8.18,-3.49,-9.553831468995982
CCCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1,C39840228_decoy,ITAL,Decoy,0,-7.98341,-6.7,-3.35,-7.230569441977336
CCOc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)ccc1OCCC(C)C,C39873135_decoy,ITAL,Decoy,0,-8.26487,-5.42,-4.25,-6.15987389813216
CCCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OC,C39873290_decoy,ITAL,Decoy,0,-9.06633,-6.24,-3.45,-6.97100884663864
CCCCCCOc1ccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2ccc(CC)cc2)cc1OC,C39873298_decoy,ITAL,Decoy,0,-8.61001,-6.99,-3.22,-7.479881390209402
C=CCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(CC)cc2)cc1OCC,C39874509_decoy,ITAL,Decoy,0,-9.95168,-6.18,-2.09,-6.720267242227639
CCCCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OC,C39874662_decoy,ITAL,Decoy,0,-8.59684,-8.93,-3.34,-8.10501157744903
CCCCOC(=O)c1ccc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(SC)cc2)cc1,C39874681_decoy,ITAL,Decoy,0,-7.93755,-5.19,-2.72,-5.688528118564402
CCCCCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1,C39877034_decoy,ITAL,Decoy,0,-7.80409,-5.24,-2.53,-5.5685764597343
CCCCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OCC,C39878487_decoy,ITAL,Decoy,0,-7.94342,-6.72,-1.61,-7.936900973839751
CCCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(CC)cc2)cc1OC,C39879036_decoy,ITAL,Decoy,0,-9.98742,-4.69,-3.65,-6.056410009875822
CCCCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1,C39911339_decoy,ITAL,Decoy,0,-8.61137,-7.41,-1.79,-7.701860578458779
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@H]4CC[C@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC(=O)[C@@]32Br)C1,C36371883_decoy,ITAL,Decoy,0,-8.98045,-8.44,-3.42,-8.134430572620428
CCCCCOc1ccc(-c2nc3s/c(=C\c4ccc(OCc5ccc(F)cc5)cc4)c(=O)n3n2)cc1,C40004774_decoy,ITAL,Decoy,0,-8.54777,-6.61,-3.79,-7.045131553185393
CCCCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1,C40033019_decoy,ITAL,Decoy,0,-9.71768,-10.04,-2.68,-9.969305930648948
CCCOc1ccc(/C=c2\sc3n(c2=O)[C@H](c2ccccc2OC)C2=C(N=3)c3ccccc3CC2)cc1,C40033041_decoy,ITAL,Decoy,0,-10.6967,-7.07,-3.5,-7.531608545688742
CCCCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCc2ccccc2)cc1OC,C40043457_decoy,ITAL,Decoy,0,-8.39743,-7.02,-2.65,-6.87536492439366
CCOc1ccc(N(C(=O)[C@@H](C)Oc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,C40992117_decoy,ITAL,Decoy,0,-8.77812,-8.51,-3.48,-8.358980508080077
CCOc1ccc(N(C(=O)[C@H](C)Oc2ccc(-c3ccccc3)cc2)S(=O)(=O)c2ccc(C)cc2)cc1,C40992120_decoy,ITAL,Decoy,0,-8.87593,-9.06,-2.13,-8.716282476154252
CC(C)(C)c1ccc(/C=C2\S/C(=N/N=C\c3ccc(-c4ccccc4)cc3)N(Cc3ccco3)C2=O)cc1,C47138546_decoy,ITAL,Decoy,0,-8.56147,-6.35,-3.55,-5.436611389084208
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC=C4C[C@@H](OC(=O)[C@@H](C)Br)CC[C@]4(C)[C@@H]3CC[C@@]21C,C49543141_decoy,ITAL,Decoy,0,-9.48565,-8.09,-3.11,-11.456293665378023
O=C1/C(=C/c2ccc(Sc3ccc(Cl)cc3)s2)S/C(=N\c2ccccc2)N1Cc1ccco1,C09720942_decoy,ITAL,Decoy,0,-9.41866,-9.29,-3.48,-7.787891286203823
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc(C)n(-c4ccc(-c5ccccc5)cc4)c3C)c(=O)n2[C@H]1c1ccc(C)cc1,C02914768_decoy,ITAL,Decoy,0,-8.96305,-5.57,-4.42,-5.644616471060014
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3cccc4ccccc34)c2=O)=N1,C58872221_decoy,ITAL,Decoy,0,-9.12978,-6.56,-3.09,-7.498020887521743
CCCC1=C(C(=O)OCC)[C@@H](c2ccc(C(C)C)cc2)n2c(s/c(=C\c3ccc(C)c(OC)c3)c2=O)=N1,C58872250_decoy,ITAL,Decoy,0,-8.63382,-6.02,,99.0
CCCCCCOc1ccc(-c2cc(C(F)(F)F)c3c(C)nn(-c4ccc(Cl)c(Cl)c4)c3n2)cc1,C59316808_decoy,ITAL,Decoy,0,-7.65809,-6.83,,99.0
CC(C)(C)c1ccc(C2=C/C(=C/c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)O2)cc1,C59426016_decoy,ITAL,Decoy,0,-7.32242,-8.27,-1.85,-7.236872560583332
Cc1ccc(CN2C(=O)/C(=C3\SC(=S)N(CC(=O)OC4CCCCC4)C3=O)[C@H]3CCCC[C@@H]32)cc1,C04291165_decoy,ITAL,Decoy,0,-10.0824,-6.8,-1.76,-6.787446704137293
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)N(Cc3ccccc3)c3ccccc3)C2=O)cc1,C08819831_decoy,ITAL,Decoy,0,-8.50758,-8.07,,99.0
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(Cc2ccccc2)c2nc3c(C)c(C)ccc3s2)cc1,C08979758_decoy,ITAL,Decoy,0,-9.08024,-11.08,-3.71,-12.265084336223588
C=CCOc1ccc(C2=NN3[C@@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1,C09216351_decoy,ITAL,Decoy,0,-8.73913,-4.32,-2.42,-5.379966355761789
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3cs/c(=N\c4ccccc4)n3Cc3cccnc3)c2)C1,C09293509_decoy,ITAL,Decoy,0,-8.76543,-8.29,-3.47,-7.372172703060643
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCCc4ccccc4)C3=O)c(N3CCC(C)CC3)nc12,C02344335_decoy,ITAL,Decoy,0,-9.77369,-8.71,-3.72,-7.960470164783661
C=CCOc1ccc(C2=NN3[C@H](C2)c2cc(Br)ccc2O[C@H]3c2ccc(OC(C)C)cc2)cc1,C12193728_decoy,ITAL,Decoy,0,-8.37128,-5.56,-2.03,-6.802769230990116
COC(=O)[C@@]1(C)CN=N[C@@H]1CC[C@@H](C)[C@@H]1CC[C@@]2(C)C3=CC[C@@H]4C(C)(C)C(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C,C13423815_decoy,ITAL,Decoy,0,-8.32362,-6.13,-2.18,-5.242897417283289
COC(=O)C(C(=O)OC)[C@H](c1ccc(Br)cc1)[C@@H](C)C(=O)c1ccc(Br)cc1,C15318975_decoy,ITAL,Decoy,0,-8.41592,-6.76,-3.55,-8.460232174967333
CCOCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)c1cccc2ccccc12,C16487057_decoy,ITAL,Decoy,0,-8.45837,-9.84,-3.03,-9.644004734169444
CCOCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)C(=O)C(C)(C)CCl,C16488549_decoy,ITAL,Decoy,0,-9.56336,-7.63,-2.24,-12.118240488639378
CCOCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)C(=O)Cc1ccc(F)cc1,C16488680_decoy,ITAL,Decoy,0,-9.62706,-8.28,-3.01,-8.513890420237956
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)S(=O)(=O)c1c(C)cc(C)cc1C,C16509129_decoy,ITAL,Decoy,0,-8.55742,-9.71,-2.23,-9.156661618178829
CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)C(=O)c1cccc(Br)c1,C16529419_decoy,ITAL,Decoy,0,-9.93148,-7.98,-1.2,-14.830174234993978
Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)c1cccc2ccccc12,C16530387_decoy,ITAL,Decoy,0,-9.79271,-9.33,-1.67,-8.928792004350024
Cc1ccccc1[C@H]1c2ccsc2CCN1C(=O)CN(CC1CC1)C(=O)c1cccc(Br)c1,C16530612_decoy,ITAL,Decoy,0,-8.92317,-9.89,-1.69,-9.403180735329633
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C)S(=O)(=O)c1c(C)cc(C)cc1C,C16530916_decoy,ITAL,Decoy,0,-8.2502,-9.34,-1.73,-8.47476627885921
COc1ccc([C@@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)c2cccc3ccccc23)C2CC2)cc1,C04211939_decoy,ITAL,Decoy,0,-7.72435,-9.22,-2.92,-12.4632685219681
CCCCc1ccc(C(=O)N(CCCC)CC(=O)N2c3ccccc3-n3cccc3[C@H]2c2ccccc2)cc1,C16569354_decoy,ITAL,Decoy,0,-8.99264,-8.8,-2.96,-12.628491521455526
CCCOc1ccc([C@H]2[C@@H]3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC,C17163305_decoy,ITAL,Decoy,0,-9.02245,-5.06,-2.46,-5.9110214412809565
CCCOc1ccc([C@@H]2[C@H]3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1OC,C01825655_decoy,ITAL,Decoy,0,-8.41306,-4.72,-3.99,-5.530967637141877
CCCCN(C)S(=O)(=O)c1ccc2c(c1)nc(SCc1c(F)ccc(F)c1F)n2C1CCCC1,C25142018_decoy,ITAL,Decoy,0,-8.85726,-7.23,-3.42,-7.640513232134893
C=CCn1c(SCC(=O)c2cc3ccccc3oc2=O)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,C26895787_decoy,ITAL,Decoy,0,-9.16972,-8.58,-2.83,-7.508252197049394
Cc1ccc(CN2C[C@@H](CN(CC(C)C)C(=O)c3ccc(F)cc3)[C@H](c3cccc(C(F)(F)F)c3)C2)o1,C34699119_decoy,ITAL,Decoy,0,-8.45736,-8.67,-3.88,-8.411895543209262
CCn1c2ccccc2c2cc(CN(CCc3ccc(OC)c(OC)c3)C(=O)c3ccc(F)cc3)ccc21,C34970223_decoy,ITAL,Decoy,0,-9.04049,-9.34,-3.53,-9.27824162147548
CCCCCCN(C(=O)[C@@H](Cl)c1ccccc1)[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1,C35063651_decoy,ITAL,Decoy,0,-9.35074,-7.85,-3.19,-9.250852190715564
CC(C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)c1cccc(Br)c1,C35174004_decoy,ITAL,Decoy,0,-8.52065,-7.82,-2.26,-8.331551396629289
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2c2ccccc2)c1,C35446487_decoy,ITAL,Decoy,0,-7.26172,-9.51,-3.72,-7.514625171375789
CCCCOc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nccs2)c1,C35512761_decoy,ITAL,Decoy,0,-9.96975,-5.05,-1.73,-6.3420065565764
C=CCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(Cl)cc1)C(=O)c1ccc(C(F)(F)F)cc1,C35768167_decoy,ITAL,Decoy,0,-6.31727,-8.57,-1.91,-6.909546765005135
CCc1nc(C)nc(N2CCCN(S(=O)(=O)c3c(C)cc(C)cc3C)CC2)c1Cc1cccc(F)c1,C35769514_decoy,ITAL,Decoy,0,-9.22986,-9.72,-3.5,-8.175867269814146
Cc1ccc(CN(Cc2ccccc2)C(=O)CN(C(=O)c2cccc3ccccc23)C2CCCCC2)s1,C35798590_decoy,ITAL,Decoy,0,-9.9956,-8.48,-2.79,-9.064929645536928
O=S(=O)(c1ccccc1)N1CCN(c2nc(CCc3ccccc3)nc3sc4c(c23)CCCC4)CC1,C35867797_decoy,ITAL,Decoy,0,-7.47877,-5.59,-2.98,-4.386198127938652
Cc1ccc(C(=O)N(CC(C)C)C[C@@H]2CN(Cc3cc(C)c(C)o3)C[C@@H]2c2cccc(C(F)(F)F)c2)cc1,C35888152_decoy,ITAL,Decoy,0,-8.75969,-7.73,-3.08,-9.475854429309804
Cc1ccc(-c2nc(C)c(Cc3ccccc3)c(N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)n2)cc1,C35891224_decoy,ITAL,Decoy,0,-8.50287,-9.4,-1.58,-10.357821813759305
O=C([C@H]1CC=CC[C@H]1C(=O)N(Cc1ccccc1)Cc1ccccc1)N(Cc1ccccc1)Cc1ccccc1,C38712159_decoy,ITAL,Decoy,0,-8.81246,-9.85,-3.54,-12.191997122867985
CCO[C@H]1C(=O)c2cc3c(cc2[C@@H](c2cccc(I)c2)[C@@H]1C(=O)CC(C)C)OCO3,C39484617_decoy,ITAL,Decoy,0,-10.0486,-8.02,-4.47,-10.84184350737621
Cc1ccccc1-n1c(Cn2c(=O)sc3ccccc32)nnc1SCc1ccc(Cl)c(Cl)c1,C39708826_decoy,ITAL,Decoy,0,-8.79583,-7.39,-2.68,-7.486829430436124
CCCCCCOc1c(Cl)cc(C(=O)N(Cc2sccc2C)[C@H]2CCS(=O)(=O)C2)cc1Cl,C39909566_decoy,ITAL,Decoy,0,-10.0995,-6.7,-2.62,-8.58266866365308
O=c1/c(=C/c2cccc(OCc3ccc(Cl)cc3Cl)c2)sc2nc(/C=C/c3cccs3)nn12,C40004864_decoy,ITAL,Decoy,0,-9.40919,-8.4,,99.0
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(OCCC(C)C)c1)N(CCc1ccccc1)C3=O,C40056519_decoy,ITAL,Decoy,0,-8.73977,-4.26,-2.07,-5.465684681689277
CC[C@H](C)c1ccc(OCCCCn2c([C@@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)cc1,C40253064_decoy,ITAL,Decoy,0,-8.35939,-9.1,-4.13,-7.831983842201217
Cc1cc(OCCCCn2c([C@H]3CC(=O)N(CCc4ccccc4)C3)nc3ccccc32)cc(C)c1Cl,C40273863_decoy,ITAL,Decoy,0,-8.96752,-8.52,-3.69,-8.342904609188084
CCCc1ccc(OCC(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccc(C)cc2)c(Br)c1,C40993007_decoy,ITAL,Decoy,0,-8.98147,-8.52,-4.35,-8.439224171917715
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@@H]1c1cccc(OC)c1,C58827228_decoy,ITAL,Decoy,0,-8.67902,-5.85,-2.87,-5.945833883429796
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3ccc(C)cc3)c(=O)n2[C@H]1c1cccc(OC)c1,C58827231_decoy,ITAL,Decoy,0,-8.43339,-6.26,-2.71,-6.293513606894434
C[C@H](Oc1c(F)c(F)c(F)c(F)c1F)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccc(Cl)cc1)C2=O,C41349851_decoy,ITAL,Decoy,0,-9.52103,-9.31,-3.94,-7.482369924875732
C[C@H](Oc1c(F)c(F)c(F)c(F)c1F)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O,C41349860_decoy,ITAL,Decoy,0,-9.01867,-8.45,-1.82,-7.211138342311646
C[C@@H](Oc1c(F)c(F)c(F)c(F)c1F)C(=O)Oc1ccc2c(c1)O/C(=C\c1ccccc1Cl)C2=O,C41349864_decoy,ITAL,Decoy,0,-8.69735,-9.43,-2.9,-8.229058803658852
C[C@@H](Oc1c(F)c(F)c(F)c(F)c1F)C(=O)Oc1ccc2c(=O)c(-c3ccc(Cl)cc3)coc2c1,C41350242_decoy,ITAL,Decoy,0,-8.57306,-9.03,-2.4,-7.433262829559328
CCOC(=O)C1=C(C)N(c2ccccc2)C2=C(C(=O)N(c3ccccc3)[C@@H]2c2ccccc2)[C@H]1c1ccccc1,C01630943_decoy,ITAL,Decoy,0,-5.9047,-4.27,-2.58,-4.251783835061984
CCOC(=O)c1c(C=O)oc2c(C)cc(OC(=O)c3cccc(Br)c3)c(Br)c12,C03268617_decoy,ITAL,Decoy,0,-8.03149,-4.4,-3.78,-5.069420264893486
C=C[C@H]1CC[C@@]2(COC(C)=O)CC[C@@]3(C)[C@@H](CC[C@@H]4[C@]5(C)CC[C@H](OC(C)=O)C(C)(C)[C@@H]5CC[C@@]43C)[C@H]12,C08385411_decoy,ITAL,Decoy,0,-9.24197,-8.49,-1.94,-13.160267891532884
C=CCn1c2ccccc2c2nnc(S[C@H](CC)C(=O)N3c4ccccc4Sc4ccccc43)nc21,C02758144_decoy,ITAL,Decoy,0,-8.38398,-10.33,-1.96,-11.563668931350207
Cc1ccccc1OCCCCSc1nc2sc(C)c(-c3ccccc3)c2c(=O)n1-c1ccccc1,C09041447_decoy,ITAL,Decoy,0,-7.91198,-8.06,-2.91,-7.437631778452864
C=CCn1/c(=N\C(=O)C2CCN(S(=O)(=O)c3ccc(Cl)s3)CC2)sc2cc(CC)ccc21,C09327217_decoy,ITAL,Decoy,0,-9.31743,-8.51,-3.66,-8.240200633499237
CCOc1ccc(Cc2nnc(SCc3ccc(OC)c(Br)c3)n2-c2ccccc2)cc1,C12650788_decoy,ITAL,Decoy,0,-8.10007,-6.96,-3.22,-7.209009536481817
FC(F)(F)c1cccc(OCCO/N=C/c2c(-c3ccc(Br)cc3)nc3sccn23)c1,C08857252_decoy,ITAL,Decoy,0,-7.56351,-9.33,-2.1,-9.664007459644342
COc1ccc(CN2C(=O)/C(=C\c3cccn3-c3ccc(C)c(Cl)c3)S/C2=N\c2ccccc2)cc1,C04108778_decoy,ITAL,Decoy,0,-9.13226,-7.97,-4.24,-7.720380096228986
CCCCN1C(=O)C(=C2Sc3ccc(OC)cc3N2CC)S/C1=N\c1ccc2nc(C)sc2c1,C13286548_decoy,ITAL,Decoy,0,-8.32355,-7.15,-2.39,-6.494913167728047
O=C(O[C@H](C(=O)c1ccccc1)c1ccccc1)c1ccc2nc3c4ccccc4c4ccccc4c3nc2c1,C13801844_decoy,ITAL,Decoy,0,-10.1463,-11.35,-2.92,-12.25969541452529
CCN1C(=O)/C(=C/c2ccccc2OCc2ccc(Cl)cc2Cl)S/C1=N\c1ccc(OC)cc1,C15009553_decoy,ITAL,Decoy,0,-7.84053,-4.84,-1.83,-5.221717750502193
FC(F)=C(F)Oc1ccc(C2(c3ccc(OC(F)=C(F)F)cc3)c3ccccc3-c3ccccc32)cc1,C04241029_decoy,ITAL,Decoy,0,-7.52907,-5.67,-2.12,-5.323029168090949
Cc1sc2nc(SCc3cc(F)cc4c3O[C@@H](c3ccccc3)OC4)n(CC(C)C)c(=O)c2c1C,C03440968_decoy,ITAL,Decoy,0,-8.27187,-7.7,-3.02,-8.495696541640514
COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)c2ccc(C(C)(C)C)cc2)C2CC2)cc1,C16569303_decoy,ITAL,Decoy,0,-6.99483,-5.89,-3.32,-5.373365025561634
CCOC(=O)C1=C(C)N=c2s/c(=C/C3=Cc4ccccc4O[C@@H]3C)c(=O)n2[C@H]1c1ccc(C(C)C)cc1,C16736702_decoy,ITAL,Decoy,0,-10.2026,-8.03,-4.23,-7.910874470666016
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCCC)c(F)c2)SC1=S,C16805378_decoy,ITAL,Decoy,0,-8.95401,-6.26,-3.02,-7.864603781216592
CCCCCC(=O)N1c2ccccc2N=C2C[C@H](c3ccc(C(C)(C)C)cc3)CC(=O)[C@H]2[C@@H]1c1ccco1,C01863180_decoy,ITAL,Decoy,0,-7.05269,-5.31,-3.25,-5.2258614186991394
Cc1cccc2oc(-c3cccc(/N=C/c4ccc(OC(=O)c5ccc(Br)cc5)cc4)c3)nc12,C03116413_decoy,ITAL,Decoy,0,-8.84465,-7.26,-3.84,-5.957390057186412
CC1(C)[C@H](/C=C(/Cl)c2ccc(Cl)cc2)[C@H]1C(=O)O[C@@H](C#N)c1ccc(F)c(Oc2ccccc2)c1,C22001432_decoy,ITAL,Decoy,0,-9.10774,-9.29,-1.56,-14.07898775951537
COc1ccccc1-c1nn(-c2nc(-c3ccccc3)cs2)c(-c2ccccc2OC)c1Br,C22843093_decoy,ITAL,Decoy,0,-9.0539,-8.29,-3.3,-9.311413995544624
Cc1cc2nc(-c3cccs3)cc(-c3nnc(SCc4ccc(F)c(Cl)c4)n3C(C)C)c2cc1C,C25165765_decoy,ITAL,Decoy,0,-6.68471,-5.35,-3.43,-4.008677010169649
CCCCOc1ccc(-c2nc3s/c(=C/c4ccc(-c5ccc(Cl)c(Cl)c5)o4)c(=O)n3n2)cc1,C28467541_decoy,ITAL,Decoy,0,-8.78603,-5.41,-2.21,-5.527296879083852
CC(C)(C)[C@H]1C/C(=C\c2cccs2)c2nc3ccccc3c(C(=O)OCc3ccc([N+](=O)[O-])cc3)c2C1,C32939974_decoy,ITAL,Decoy,0,-9.2538,-6.6,-3.96,-6.952961156465434
CC[C@H](C)N(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)C(=O)c1ccc(-c2ccccc2)cc1,C34737006_decoy,ITAL,Decoy,0,-7.5942,-9.06,-3.97,-8.287382269718437
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cccc(C)c1)C(=O)C[C@@H](C)CC(C)(C)C,C35231082_decoy,ITAL,Decoy,0,-10.125,-9.27,-4.21,-10.54417694131468
C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccccc2)S/C1=N\c1cccc2ccccc12,C35484898_decoy,ITAL,Decoy,0,-8.63373,-7.11,-3.19,-6.637333958825141
CCCCN(C)S(=O)(=O)c1ccc(C(=O)/N=c2/sc3cccc(Br)c3n2CC)cc1,C09885859_decoy,ITAL,Decoy,0,-9.08467,-7.05,-1.96,-10.40596908290146
O=C(OC(=C(c1ccccc1)c1ccccc1)c1nc2ccccc2s1)C(c1ccccc1)c1ccccc1,C38337942_decoy,ITAL,Decoy,0,-6.50734,-8.9,-3.29,-8.815073478507625
CCCCCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccccc2Cl)cc1,C38592956_decoy,ITAL,Decoy,0,-8.69767,-7.41,-2.95,-7.15912723433311
CCCCCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccccc2Cl)c1,C39826357_decoy,ITAL,Decoy,0,-7.22754,-6.06,-2.27,-5.9174418644139966
O=C1C[C@@H](c2nc3ccccc3n2CCCCOc2ccccc2Cl)CN1c1cccc2ccccc12,C39826890_decoy,ITAL,Decoy,0,-10.0371,-10.41,-3.4,-11.982741837591757
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OCC,C39878463_decoy,ITAL,Decoy,0,-8.26587,-4.9,-1.94,-5.197310555261101
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)C[C@@H](C)O4)c(=O)n2[C@H]1c1ccc(C(C)(C)C)cc1,C40016631_decoy,ITAL,Decoy,0,-9.42084,-9.29,-3.03,-10.126250276217627
CCCCOc1ccc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1,C40032914_decoy,ITAL,Decoy,0,-8.67436,-7.35,-2.26,-6.07712913577162
CCCCCOc1ccc([C@@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2Cc2ccccc2Cl)cc1,C40044001_decoy,ITAL,Decoy,0,-8.3329,-5.32,-2.86,-6.08325333058133
CCCCCCOc1ccc([C@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1,C40066003_decoy,ITAL,Decoy,0,-8.72281,-8.08,-3.72,-7.957541523424036
CCCCCCOc1ccc([C@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1,C40066007_decoy,ITAL,Decoy,0,-8.40618,-5.01,-2.63,-5.775111372455441
C[C@@H](c1ccccc1)N1C[C@H](c2nc3ccccc3n2CCCCOc2ccc(C(C)(C)C)cc2)CC1=O,C40182039_decoy,ITAL,Decoy,0,-8.76419,-8.86,-3.49,-11.519411319559396
Cc1ccc(C(C)C)c(OCCCCn2c([C@@H]3CC(=O)N(c4cccc(C)c4C)C3)nc3ccccc32)c1,C40251775_decoy,ITAL,Decoy,0,-8.29806,-9.49,-3.15,-8.063451762420344
Cc1cccc(N2C[C@H](c3nc4ccccc4n3CCCCOc3ccc(C(C)(C)C)cc3)CC2=O)c1C,C40251807_decoy,ITAL,Decoy,0,-9.72193,-9.21,-2.96,-10.319996215982163
CC[C@@H](C)c1ccc(OCCCCn2c([C@H]3CC(=O)N(c4ccc(C)cc4C)C3)nc3ccccc32)cc1,C40252024_decoy,ITAL,Decoy,0,-8.32667,-8.62,-3.66,-7.854363907746525
CCc1ccc(N2C[C@H](c3nc4ccccc4n3CCCCOc3ccc(C(C)(C)C)cc3)CC2=O)cc1,C40257402_decoy,ITAL,Decoy,0,-10.1188,-8.99,-1.98,-8.899943655773061
Cn1nc(C(F)(F)F)c(COc2cc(Cl)c(Cl)cc2Cl)c1Oc1ccc(Cl)cc1Cl,C03049209_decoy,ITAL,Decoy,0,-9.65673,-5.34,-1.6,-6.226148141021393
CCOC(=O)C1=C(c2ccccc2)N=c2s/c(=C/c3cn(C)c4ccccc34)c(=O)n2[C@@H]1c1ccccc1,C58827200_decoy,ITAL,Decoy,0,-8.01949,-6.11,-1.69,-5.717018016486896
CC(=O)N(Cc1c(OCc2ccccc2)ccc2ccccc12)c1cccc(-c2nc3ccccc3s2)c1,C59058728_decoy,ITAL,Decoy,0,-8.47171,-9.84,-2.2,-9.155133785117204
CCOC(=O)C1=NN(c2ccccc2C)[C@]2(C=CC(c3ccc(C(C)(C)C)cc3)=NN2c2ccccc2)S1,C59123228_decoy,ITAL,Decoy,0,-8.96513,-5.85,-1.86,-6.300284164688317
C[C@@H]1C/C(=N\OC(=O)C23CC4CC(CC(C4)C2)C3)c2ccc(OC(=O)C34CC5CC(CC(C5)C3)C4)cc2C1,C59392540_decoy,ITAL,Decoy,0,-9.47444,-8.61,-3.99,-7.489625784687627
CCN(CC)c1ccc(/C=N/c2sc3c(c2C#N)CCCC3)c(OCc2ccc(Cl)cc2Cl)c1,C02070164_decoy,ITAL,Decoy,0,-10.6903,-7.88,-4.43,-10.76564103918791
CCc1cc(C)cc(OCCSc2nc3ccc(/N=C/c4ccc(Br)cc4)cc3s2)c1,C59855121_decoy,ITAL,Decoy,0,-8.68844,-7.86,-4.21,-6.722114257307402
C[NH+](C)CCCn1c(SCC(=O)Nc2cccc(I)c2)nnc1-c1ccncc1,C06878658_decoy,ITAL,Decoy,0,-8.47844,-7.66,,99.0
CCOC(=O)c1c(C[NH+]2CCCC[C@H]2C)n(-c2ccccc2)c2cc(Br)c(OC(C)=O)cc12,C08856785_decoy,ITAL,Decoy,0,-7.27956,-7.12,-1.63,-7.313425135726908
COC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)[C@H](C)[NH+]1CCN(c2cccc(C)c2C)CC1,C02310405_decoy,ITAL,Decoy,0,-8.5473,-5.73,-1.57,-7.506222081542524
COCCN1C(=O)c2ccccc2[C@@H](C(=O)Nc2ccc(C[NH+]3CCC(C)CC3)cc2)[C@@H]1c1cccs1,C09432863_decoy,ITAL,Decoy,0,-9.10964,-5.2,-4.12,-5.90009941075861
CC[NH+](CC)CCN1C(=O)C(O)=C(C(=O)c2c(C)nc3ccccn23)[C@@H]1c1cccc(Br)c1,C08826889_decoy,ITAL,Decoy,0,-8.70096,-7.68,-2.39,-12.644276303535303
Cc1cc(Cl)cc2sc(N(CC[NH+](C)C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc12,C12493516_decoy,ITAL,Decoy,0,-9.24092,-8.94,-3.39,-9.389003920279006
COc1cccc(-c2c(C)n(Cc3c(F)cccc3F)c(=O)n(C[C@@H](C)[NH2+]CCc3ccccn3)c2=O)c1,C13553275_decoy,ITAL,Decoy,0,-8.31487,-8.43,-3.44,-10.143657345855855
CC[NH+](Cc1ccncc1)Cn1nc(CSc2nc3ccccc3s2)n(Cc2ccccc2)c1=S,C14360057_decoy,ITAL,Decoy,0,-9.45495,-7.29,-3.78,-7.953281875554803
CCC(=O)C(CC[NH+]1CCC(N2C(=O)[C@H](CCC#N)c3ccccc32)CC1)(c1ccccc1)c1ccccc1,C17250192_decoy,ITAL,Decoy,0,-9.14924,-7.9,-2.57,-8.063643566756554
O=c1oc2cc(OC[C@@H](O)CN3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)ccc2c2c1CCC2,C19912370_decoy,ITAL,Decoy,0,-8.71375,-10.18,-3.63,-8.831411787015854
CCOc1ccc([C@H](C)NC(=O)C2CC[NH+](Cc3nc(-c4ccc(Br)cc4)no3)CC2)cc1,C30979658_decoy,ITAL,Decoy,0,-8.59818,-7.98,-2.06,-6.961978714780657
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(C)c2N2CC[NH+](CC)CC2)SC1=S,C33811955_decoy,ITAL,Decoy,0,-8.18741,-4.54,-2.14,-5.736955514076142
CCc1c(C)sc2nc(N3CC[NH+](Cc4ccc(Cl)cc4)CC3)n(CC(=O)N(CC)CC)c(=O)c12,C34749154_decoy,ITAL,Decoy,0,-8.67357,-7.07,-2.77,-7.725136220914528
COc1ccc(C(=O)N(CC[NH+]2CCN(C(=O)Nc3ccccc3C)CC2)CC2=CC[C@H]3C[C@@H]2C3(C)C)cc1,C34997824_decoy,ITAL,Decoy,0,-9.43162,-7.88,-4.24,-8.307389076705993
CCOc1ccc(NC(=O)N2CC[NH+](CCN(Cc3ccc(F)cc3)C(=O)c3ccc(C)cc3)CC2)cc1,C35002823_decoy,ITAL,Decoy,0,-8.36188,-9.83,-1.8,-9.639006462200465
O=C(Nc1sc(Nc2ccccc2)[n+](CCc2ccccc2)c1-c1ccc(F)cc1)c1ccc(F)cc1,C35048182_decoy,ITAL,Decoy,0,-9.88987,-10.07,-2.73,-10.72407949655092
Cc1ccc(-n2c([C@H](C)N(CC[NH+](C)C)C(=O)Nc3c(C)cccc3C)nc3ccccc3c2=O)c(C)c1,C35070307_decoy,ITAL,Decoy,0,-6.62976,-5.48,-1.92,-6.147969552683917
COc1cc(OC)cc([C@@H]2c3cccn3CCC[NH+]2CC(=O)N(CCc2ccccc2)Cc2ccccc2)c1,C35173419_decoy,ITAL,Decoy,0,-8.91346,-7.21,-4.19,-7.835836932195612
CNC(=O)C1=C(C)[NH+]=C2SCCCN2[C@@H]1c1ccc(NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1,C35337835_decoy,ITAL,Decoy,0,-6.97755,-6.09,-4.11,-6.39936571423277
C[C@@H]1C[C@@H](C)CN(S(=O)(=O)c2cccc(-c3csc(Nc4ccccc4)[n+]3Cc3ccccc3)c2)C1,C35447747_decoy,ITAL,Decoy,0,-9.83945,-7.91,-3.08,-7.736864854284418
COc1ccc(C(=O)N(Cc2cc(NC(=O)C3CCC3)ccc2N(C)C2CC[NH+](C)CC2)CC(C)C)cc1,C35619678_decoy,ITAL,Decoy,0,-8.33984,-8.4,-3.21,-10.103244610408618
O=c1[nH]c(C[NH+](Cc2ccco2)C[C@@H](O)COc2ccc(Cl)cc2)nc2sc3c(c12)CCCCC3,C36313545_decoy,ITAL,Decoy,0,-8.43268,-8.29,-3.51,-7.694306365780643
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(F)cccc4s3)cc2)C1,C36637465_decoy,ITAL,Decoy,0,-8.29185,-7.4,-2.48,-7.6963001994632
C[C@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(Cl)cccc4s3)cc2)C1,C36637487_decoy,ITAL,Decoy,0,-9.06395,-7.82,,99.0
Cc1ccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@@H](C)C[C@H](C)C4)cc3)nc2c1C,C36637582_decoy,ITAL,Decoy,0,-8.75444,-8.02,-3.56,-10.404493790151966
Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1,C36637621_decoy,ITAL,Decoy,0,-9.454,-6.07,-3.44,-6.685053161643668
C[C@@H]1CCCN(S(=O)(=O)c2ccc(C(=O)N(CC[NH+](C)C)c3nc4c(F)cc(F)cc4s3)cc2)C1,C36637696_decoy,ITAL,Decoy,0,-9.08497,-7.14,-3.45,-7.970815282650984
CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2CCC[C@H](C)C2)cc1)c1nc2c(F)cccc2s1,C36638045_decoy,ITAL,Decoy,0,-8.88806,-6.23,-2.55,-7.685004526485177
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2CC[NH+](C)CC2)SC1=S,C33812511_decoy,ITAL,Decoy,0,-8.29495,-4.04,-2.91,-5.92678751415826
CCCn1c(N2CC[NH+](CC)CC2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O,C33812561_decoy,ITAL,Decoy,0,-7.37758,-4.3,-3.47,-4.855290629950833
Cc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(CCC[NH+](C)C)c2nc3c(C)cc(C)cc3s2)cc1,C36660309_decoy,ITAL,Decoy,0,-8.20135,-8.05,-2.71,-7.93641725117201
Cc1cc(C)c2sc(N(CCC[NH+](C)C)C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc2c1,C36660367_decoy,ITAL,Decoy,0,-8.54442,-8.77,-3.58,-8.774192433581891
CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)N2C[C@H](C)C[C@H](C)C2)cc1)c1nc2ccccc2s1,C36690281_decoy,ITAL,Decoy,0,-7.37626,-6.47,-3.47,-6.18825397572878
CSC1=C[C@@H]2C[C@@H]3CO[P@](=O)(S(=O)(=O)Oc4ccccc4)N[NH+]3C[C@@H]2C=C1Cc1ccccc1,C39469656_decoy,ITAL,Decoy,0,-8.42102,-10.01,-3.97,-12.671227383545938
CSC1=C[C@@H]2C[C@H]3CO[P@](=O)(S(=O)(=O)Oc4ccccc4)N[NH+]3C[C@@H]2C=C1Cc1ccccc1,C39469658_decoy,ITAL,Decoy,0,-7.19336,-8.07,-3.31,-6.482142639861773
CC(C)S(=O)(=O)c1ccc([C@H](CNCc2ccccc2)[NH+]2CCN[C@H](I)C2)cc1,C39534608_decoy,ITAL,Decoy,0,-9.17701,-7.54,-4.05,-8.36946682033545
O=C(NCc1ccc(OC(F)(F)F)cc1)[C@H]1CN(C(=O)c2cccc(Cl)c2F)CC12CC[NH2+]CC2,C39599745_decoy,ITAL,Decoy,0,-9.26887,-5.82,-3.67,-6.323877011690709
CCn1nc(C)c(Br)c1C(=O)N1C[C@H](C(=O)NCCc2ccc(C)c(C)c2)C2(CC[NH2+]CC2)C1,C39609318_decoy,ITAL,Decoy,0,-8.57496,-5.3,-3.4,-5.539864087739906
COc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3cccc4c3-c3ccccc3C4=O)CC23CC[NH2+]CC3)cc1,C39634956_decoy,ITAL,Decoy,0,-8.5164,-5.54,-2.09,-6.421071188550353
CCOc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3ccc(Br)c(C)c3)CC23CC[NH2+]CC3)cc1,C39653860_decoy,ITAL,Decoy,0,-8.2119,-6.4,-1.44,-7.178024753942911
COc1ccc(OC)c(C(=O)N2C[C@@H](C(=O)N[C@H](C)c3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)c1,C39657116_decoy,ITAL,Decoy,0,-8.16604,-6.68,-3.25,-7.08709507622099
COc1ccc(OC)c(C(=O)N2C[C@H](C(=O)N[C@H](C)c3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)c1,C39657120_decoy,ITAL,Decoy,0,-8.40165,-5.12,-3.55,-5.86323854193048
COc1ccc(CC[C@@H](C)NC(=O)[C@@H]2CN(C(=O)c3csc(Cl)c3OC)CC23CC[NH2+]CC3)cc1,C39675407_decoy,ITAL,Decoy,0,-8.94589,-6.6,-1.47,-6.66403476705389
C=CC[n+]1c(-c2ccc(S(=O)(=O)N3CCC(Cc4ccccc4)CC3)cc2)csc1Nc1ccccc1,C39729429_decoy,ITAL,Decoy,0,-8.68761,-7.42,-2.64,-7.909778201771704
CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(SC)cc1,C40008648_decoy,ITAL,Decoy,0,-8.47581,-6.26,-2.19,-8.683014779247255
Cc1ccc(C)c(NS(=O)(=O)c2cc(C(=O)NCc3ccc(C[NH+]4CCC[C@H](C)C4)cc3)ccc2C)c1,C44878344_decoy,ITAL,Decoy,0,-9.5454,-6.92,-2.96,-8.952572056020863
CCOc1cc(/C=C2/C(=[NH2+])N3N=C(CC)SC3=NC2=O)ccc1OCCSc1ccc(Cl)cc1,C27531174_decoy,ITAL,Decoy,0,-8.51263,-8.3,-2.32,-7.631856967190366
O=C(Oc1cccc([C@H]2N=C(O)c3c(sc4c3CC[NH+](Cc3ccccc3)C4)N2)c1)c1cccc(F)c1,C15947332_decoy,ITAL,Decoy,0,-9.23252,-6.72,-2.89,-6.150243828394873
Cc1cccc(-n2c(SCC(=O)N(CCC#N)c3ccccc3F)nnc2C2=c3ccccc3=[NH+]C2)c1,C63221881_decoy,ITAL,Decoy,0,-9.11009,-5.44,,99.0
CCOc1c(OC)cccc1[C@@H]1CN2C(=O)CN(Cc3ccc(F)cc3)C(=O)[C@]2(C)[C@@H]2[NH+]=c3ccccc3=C12,C63372275_decoy,ITAL,Decoy,0,-7.33824,-5.79,-3.46,-5.591155658524165
COc1cc(/C=C2\SC(=S)N(c3ccccc3)C2=O)ccc1OCCOc1ccc(C(C)(C)C)cc1,C08959050_decoy,ITAL,Decoy,0,-8.16712,-6.83,-2.01,-8.301126718023449
CCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)sc2cccc(F)c21,C09285700_decoy,ITAL,Decoy,0,-8.98764,-7.88,-2.67,-9.268728924894576
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c1,C02427648_decoy,ITAL,Decoy,0,-7.92502,-7.31,-3.5,-6.860905416576148
Cc1ccc2sc(N(Cc3ccccc3)C(=O)[C@@H]3CCCN3S(=O)(=O)c3cccs3)nc2c1C,C09542433_decoy,ITAL,Decoy,0,-8.56506,-10.27,-1.5,-10.245413761435406
CSc1cccc2sc(N(CCc3cccs3)C(=O)CCS(=O)(=O)c3ccc(C)cc3)nc12,C10097405_decoy,ITAL,Decoy,0,-10.0031,-7.56,-3.17,-8.076756128439628
Cc1ccc(SCCC(=O)N(CCc2cccs2)c2nc3ccc(S(C)(=O)=O)cc3s2)cc1,C10098102_decoy,ITAL,Decoy,0,-10.1537,-5.75,-2.35,-7.556166940799643
CS(=O)(=O)c1ccc2nc(N(Cc3ccccc3)C(=O)c3cccc(Oc4ccccc4)c3)sc2c1,C10834948_decoy,ITAL,Decoy,0,-9.1458,-7.41,-4.62,-8.348835816851649
C=CCN1C(=O)/C(=C/c2cc(Cl)c(OCCOc3ccc(C(C)(C)C)cc3)c(OC)c2)SC1=S,C12285464_decoy,ITAL,Decoy,0,-6.70465,-5.86,-2.79,-4.193686656936257
CCCN(CCC)c1nc2ccccn2c(=O)c1/C=C1\SC(=S)N(Cc2ccccc2Cl)C1=O,C13748818_decoy,ITAL,Decoy,0,-8.5552,-8.31,-2.38,-8.05604735873625
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C(C)C)C2=O)cc1Cl,C13750700_decoy,ITAL,Decoy,0,-7.89062,-6.6,-3.95,-7.055126496947438
COc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)OCC(=O)c5cc(C)n(-c6ccccc6)c5C)(C4)C2)C3)c(F)c1,C15980527_decoy,ITAL,Decoy,0,-8.56256,-8.99,-3.91,-7.588332848172013
COc1ccc([C@H]2c3ccsc3CCN2C(=O)CN(CC(C)C)S(=O)(=O)c2ccc(C)cc2)cc1,C16508666_decoy,ITAL,Decoy,0,-9.82501,-8.03,-3.56,-9.030019028290017
COc1ccc(CC(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2C)Cc2ccco2)cc1,C16529315_decoy,ITAL,Decoy,0,-8.96245,-8.57,-1.52,-10.619027451315098
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(Cl)cc1)C(=O)C(C)(C)CCl,C16569127_decoy,ITAL,Decoy,0,-8.31363,-5.79,-3.71,-6.692011077990888
Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(CC(C)C)C(=O)c2ccc(Br)cc2)o1,C16650701_decoy,ITAL,Decoy,0,-7.94119,-8.3,-3.62,-8.94940287883965
Cc1ccc(N2CCN(CN3C(=O)S/C(=C/c4cn(Cc5ccccc5)c5ccccc45)C3=O)CC2)cc1,C20265943_decoy,ITAL,Decoy,0,-8.41155,-9.28,-3.73,-6.54550862921113
Cc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)c2cc(C)ccc2C)cc1,C22275441_decoy,ITAL,Decoy,0,-9.23856,-9.57,-4.28,-9.306376515799096
CCCCN(CCCC)c1nc(F)c2c(c1F)S(=O)(=O)CCN2Cc1cccc(Br)c1,C24615956_decoy,ITAL,Decoy,0,-9.33504,-7.63,-1.66,-9.159136843409708
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1,C33345277_decoy,ITAL,Decoy,0,-8.05099,-6.2,-4.32,-6.312235488555174
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S,C33444767_decoy,ITAL,Decoy,0,-10.2372,-7.24,-3.6,-8.113284357747238
COc1ccc(CCN2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@@H]2c2ccc(SC)cc2)cc1OC,C02351243_decoy,ITAL,Decoy,0,-9.40347,-8.82,-3.97,-9.407135321465551
Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C2CCCCC2)S(=O)(=O)c2ccccc2)s1,C33696644_decoy,ITAL,Decoy,0,-8.8617,-7.95,,99.0
CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)c1cccc(Br)c1,C33745728_decoy,ITAL,Decoy,0,-10.0074,-8.1,-2.34,-9.271099408239325
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccco3)C2=O)cc1C,C34107392_decoy,ITAL,Decoy,0,-8.12017,-6.79,-3.44,-6.813956369090582
COc1ccc(CCN(Cc2cccc(Oc3ccc(Cl)cc3)c2)C(=O)c2ccc(F)cc2)cc1OC,C34945730_decoy,ITAL,Decoy,0,-8.18521,-8.8,-2.62,-8.261487354846105
CCOc1ccccc1-n1c([C@H](C)N(CC)C(=O)c2cccc(Br)c2)nc2ccccc2c1=O,C35092785_decoy,ITAL,Decoy,0,-8.49989,-4.46,-2.93,-5.782717455492247
C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)C(=O)c1ccc(Br)cc1,C35383656_decoy,ITAL,Decoy,0,-9.09429,-7.45,-1.74,-7.789555019974244
Cc1cc(C)c(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2ccc(F)cc2)C2CC2)c(C)c1,C35770950_decoy,ITAL,Decoy,0,-9.61663,-9.35,-1.28,-13.172759629488551
COc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2ccc(C)cc2)CC(C)C)cc1,C35770959_decoy,ITAL,Decoy,0,-10.3765,-8.34,-2.1,-12.48618584530769
CCCN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(Cl)c(C)c1)C(=O)c1ccc(F)cc1,C36116181_decoy,ITAL,Decoy,0,-8.45252,-9.32,-3.05,-8.42059731992936
CC[C@@H](C)CN(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1ccc(F)cc1,C36121651_decoy,ITAL,Decoy,0,-7.72372,-9.6,-2.73,-8.481478255049582
CC(C)(C)c1ccc(OCCCCn2c([C@H]3CC(=O)N(c4ccccc4Cl)C3)nc3ccccc32)cc1,C38586918_decoy,ITAL,Decoy,0,-8.89397,-7.53,-3.58,-7.8875189480986
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)N(Cc3ccc(Cl)cc3)C[C@H]3CCCO3)C2=O)cc1,C38643156_decoy,ITAL,Decoy,0,-10.1096,-8.25,-2.11,-10.54815271765214
O=C(COC(=O)c1ccc(N2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1)c1ccccc1,C00990522_decoy,ITAL,Decoy,0,-8.86411,-7.83,-1.34,-9.402389931150957
O=S(=O)(Oc1ccccc1)[C@H]1CC[C@]2(C[C@@H](Cc3ccccc3)CN2S(=O)(=O)c2ccccc2)C1,C39507958_decoy,ITAL,Decoy,0,-9.86115,-9.85,-4.58,-10.322591693937644
CCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2Cc2ccc(C)cc2)cc1OCC,C39826385_decoy,ITAL,Decoy,0,-8.62966,-5.71,-1.96,-5.885514241265097
CCc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)cc1,C39835637_decoy,ITAL,Decoy,0,-10.7123,-9.68,-3.52,-9.558015654061991
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCc3ccccc3)C2=O)c1C,C39835791_decoy,ITAL,Decoy,0,-9.73729,-9.44,-1.63,-9.230515091912444
CCOc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccccc2)ccc1OCc1ccccc1,C39876979_decoy,ITAL,Decoy,0,-8.88524,-7.84,-1.44,-8.326300920847068
CCCn1c(N2CCC[C@H](C)C2)c(/C=C2\SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O,C39990077_decoy,ITAL,Decoy,0,-7.94509,-4.61,-3.57,-5.215708688271443
CCCn1c(N2CCCCCC2)c(/C=C2\SC(=S)N([C@H](C)c3ccccc3)C2=O)c(C)c(C#N)c1=O,C39990210_decoy,ITAL,Decoy,0,-8.86632,-4.68,-3.15,-5.702818200711308
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccs4)nn3c2=O)cc1,C40004461_decoy,ITAL,Decoy,0,-8.5848,-5.97,-2.05,-6.15295724182711
CCOc1cc(/C=c2\sc3nc(/C=C/c4ccc(F)cc4)nn3c2=O)ccc1OCc1ccc(C)cc1,C40004849_decoy,ITAL,Decoy,0,-8.08481,-6.71,-4.27,-5.791537144599738
CCOc1cc(/C=C(\C#N)S(=O)(=O)c2ccc(Br)cc2)ccc1OCc1ccc(F)cc1,C40007261_decoy,ITAL,Decoy,0,-8.84105,-7.79,-3.26,-7.132695806697678
CCCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1,C40021519_decoy,ITAL,Decoy,0,-8.79417,-4.74,-3.37,-5.077428970935932
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C(F)(F)F)cc1,C40022044_decoy,ITAL,Decoy,0,-7.47497,-7.12,-4.02,-6.811097329153711
CCc1ccc(OCCCC(=O)N(c2ccc(C)cc2)S(=O)(=O)c2ccccc2)c(Br)c1,C40992575_decoy,ITAL,Decoy,0,-9.05879,-9.06,,99.0
CCCc1ccc(OCC(=O)N(c2cccc(C)c2C)S(=O)(=O)c2ccccc2)c(Br)c1,C40993017_decoy,ITAL,Decoy,0,-8.59281,-8.51,-4.34,-8.448097780833548
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OCC)c1OCc1ccc(I)cc1,C59334888_decoy,ITAL,Decoy,0,-7.66181,-7.78,-4.14,-7.633537145240037
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)CCC3CC3)c3ccc(C)cc32)S1,C59475578_decoy,ITAL,Decoy,0,-7.58217,-4.5,-3.67,-5.702332087896285
CCCCOc1ccc([C@@H]2CC(=O)C3=C(C2)c2c(ccc4ccccc24)N[C@@H]3c2ccc(OC)c(OC)c2)cc1,C02030083_decoy,ITAL,Decoy,0,-10.6556,-5.53,-4.75,-6.747650386377456
Cn1c(SCc2ccc(C(F)(F)F)cc2)nnc1[C@H](Cc1ccccc1)NS(=O)(=O)c1ccc(Cl)cc1,C03125389_decoy,ITAL,Decoy,0,-8.9556,-9.52,-2.69,-8.852649607222093
COC(=O)c1c(NC(=O)CSc2ncnc3sc4c(c23)CCCC4)sc2c1CC[C@H](C(C)(C)C)C2,C02087950_decoy,ITAL,Decoy,0,-10.8632,-5.36,-3.31,-6.058185018156075
CCCOc1c(Br)cc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1OCC,C02075908_decoy,ITAL,Decoy,0,-8.41449,-5.33,-2.64,-6.972257869119845
Cc1cccc(-n2c(CNC(=O)C34CC5CC(CC(C5)C3)C4)nnc2S[C@@H]2C(=O)[C@]3(C)CC[C@H]2C3(C)C)c1,C08793660_decoy,ITAL,Decoy,0,-9.41126,-7.5,-3.63,-7.381933525827997
CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C(C)(C)C)cc3)n2-c2ccc(C)cc2)cc1,C02353740_decoy,ITAL,Decoy,0,-10.1274,-7.93,-4.02,-7.87987739642259
CC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N([C@H]3CCC[C@H](C)[C@H]3C)C3=C2C(=O)CC(C)(C)C3)cc1,C09157989_decoy,ITAL,Decoy,0,-7.73436,-5.44,-2.15,-6.046990097774592
CC(C)Oc1ccc(C(=O)N[C@@]2(C(F)(F)F)C(=O)N([C@@H]3CCC[C@H](C)[C@H]3C)C3=C2C(=O)CC(C)(C)C3)cc1,C09157991_decoy,ITAL,Decoy,0,-8.54263,-6.89,-2.01,-7.86957309080405
CC(C)(C)[C@H]1CCc2c(sc3ncn4c(SCC(=O)Nc5ccccc5-c5ccccc5)nnc4c23)C1,C12640782_decoy,ITAL,Decoy,0,-8.78782,-8.68,-2.73,-7.448793528598337
COc1ccc(CSc2nnc([C@H](Cc3ccccc3)NC(=O)c3ccc(F)cc3)n2-c2ccccc2)cc1,C12952115_decoy,ITAL,Decoy,0,-9.84055,-9.75,-2.79,-11.636263702596082
Cc1ccccc1[C@@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)c1ccc(C(C)(C)C)cc1,C16530379_decoy,ITAL,Decoy,0,-7.93776,-9.56,-2.34,-8.167392943823995
Cc1ccccc1[C@H]1c2ccsc2CCN1C(=O)CN(C[C@H]1CCCO1)C(=O)C12CC3CC(CC(C3)C1)C2,C16530438_decoy,ITAL,Decoy,0,-7.62235,-8.3,-2.85,-8.165437472926035
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OCCc2ccccc2)[C@H]3c2ccccc2Cl)cc1,C02758135_decoy,ITAL,Decoy,0,-8.87338,-8.4,-1.82,-8.346935740739964
COc1cccc([C@H]2C(C(=O)OCCc3ccccc3)=C(C)NC3=C2C(=O)C[C@H](c2cccs2)C3)c1OC,C01438609_decoy,ITAL,Decoy,0,-8.74911,-7.09,-2.71,-7.432216125405571
CCc1ccc(CN2C(=O)c3c(-n4cccc4)c4cc(C)ccc4n3C[C@@]2(C)C(=O)NC2CCC(C)CC2)cc1,C21161566_decoy,ITAL,Decoy,0,-9.79142,-7.07,-3.41,-7.204314576456296
Cc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccc(C23CC4CC(CC(C4)C2)C3)cc1)S(C)(=O)=O,C22367044_decoy,ITAL,Decoy,0,-7.55572,-9.0,-3.25,-6.9969990245445794
CCOc1ccccc1N(CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1,C22431208_decoy,ITAL,Decoy,0,-8.29851,-9.43,-4.0,-9.416859366791597
COc1ccc(C)cc1N(CC(=O)N[C@@H](c1ccccc1)c1ccc(C)cc1)S(=O)(=O)c1ccc(C)cc1,C22431768_decoy,ITAL,Decoy,0,-8.87298,-8.93,-4.04,-8.764242767898008
Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)OCC(=O)Nc5cc(S(C)(=O)=O)ccc5Cl)(C4)C2)C3)cc1C,C12541022_decoy,ITAL,Decoy,0,-9.01391,-9.03,-4.59,-8.90834184623969
Cc1ccc(-n2nc(C(C)(C)C)cc2NC(=O)CN(CC(C)C)C(=O)C(c2ccccc2)c2ccccc2)cc1,C33659452_decoy,ITAL,Decoy,0,-8.20495,-9.12,-2.92,-9.307857402282265
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(C)cc1)C(=O)Nc1ccc(F)c(F)c1,C34767160_decoy,ITAL,Decoy,0,-6.97874,-4.95,-3.52,-5.186712550513521
CC1(C)[C@@H]2CC=C(CN(CCN3CCN(C(=O)COc4ccccc4)CC3)C(=O)c3ccccc3Cl)[C@H]1C2,C34997839_decoy,ITAL,Decoy,0,-7.83194,-7.11,-4.2,-7.218192309786746
Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N[C@H](C)C(C)C)C(=O)CS[C@@H]3c2cccc(F)c2)cc1,C35524363_decoy,ITAL,Decoy,0,-6.56762,-4.12,-4.26,-4.773987682739824
Cc1ccc(C(=O)N(CC(=O)Nc2nc(-c3ccccc3)cn2-c2ccc(C)c(C)c2)Cc2ccccc2)cc1,C36049398_decoy,ITAL,Decoy,0,-8.39856,-9.5,-3.44,-8.51442468848527
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(C(C)C)cc1)C(=O)Nc1ccc(C)cc1,C36122211_decoy,ITAL,Decoy,0,-8.24126,-7.28,-2.65,-8.726073593457707
Cc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(C)o2)C(=O)/C(=C\c2ccccc2)c2ccccc2)c(C)c1,C36555350_decoy,ITAL,Decoy,0,-7.23201,-4.73,-2.07,-5.631219750287048
CC[C@@H](C(=O)N([C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1)C(C)(C)C)c1ccccc1,C36583354_decoy,ITAL,Decoy,0,-8.97392,-9.17,-3.65,-9.49136573101896
CCCNC(=O)CN1C(=O)CS[C@@H](c2cccc(F)c2)c2c(-c3ccccc3)nn(-c3ccc(C)cc3)c21,C37264148_decoy,ITAL,Decoy,0,-10.6111,-5.73,-1.42,-6.819929100814851
O=C(c1ccccc1-c1ccc(C(F)(F)F)cc1)N(CCCO)C[C@H]1CC1(c1ccccc1)c1ccccc1,C38738749_decoy,ITAL,Decoy,0,-8.51772,-5.5,-3.52,-6.131225944193641
CCCc1cccc2c(=O)n3c(nc12)/C(=C/c1cc(-c2ccccc2O)cc(S(=O)(=O)C(C)C)c1)CCC3,C39483317_decoy,ITAL,Decoy,0,-10.6431,-6.23,-3.28,-6.306147757185545
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@H](C)C[C@H](C)C2)SC1=S,C39769346_decoy,ITAL,Decoy,0,-8.46618,-4.5,-1.69,-5.778918364831721
CCCCCCN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CC)c2NCc2ccccc2Cl)SC1=S,C40066523_decoy,ITAL,Decoy,0,-9.98578,-7.33,-4.15,-8.818697473476327
COc1ccc(CCN2C(=O)c3[nH]nc(-c4ccc(C)cc4)c3[C@@H]2c2ccc(OCc3ccccc3)cc2)cc1,C40341786_decoy,ITAL,Decoy,0,-8.26102,-6.77,-3.69,-7.053603526412626
CC[C@H](C)NC(=O)CN1C(=O)CS[C@H](c2cccc(C)c2)c2c(C(C)(C)C)nn(-c3ccc(C)cc3C)c21,C40388234_decoy,ITAL,Decoy,0,-8.33267,-7.25,-3.89,-7.923383250633845
CC(=O)O[C@H]1CC[C@]2(C)C(=CC[C@H]3[C@H]2CC[C@@]2(C)[C@@H]4C(C)=C(CC[C@@H](C)CN(C(C)=O)C(C)=O)O[C@H]4C[C@@H]32)C1,C43735673_decoy,ITAL,Decoy,0,-8.67983,-8.18,-1.96,-6.629793111706945
CCCCCOc1c(Cl)cc(C(=O)N(Cc2ccc([C@@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)cc1Cl,C47133089_decoy,ITAL,Decoy,0,-8.16698,-6.61,-3.14,-7.774206855143141
COc1ccc([C@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2cccc(Br)c2)cc1OC,C00678857_decoy,ITAL,Decoy,0,-7.41738,-4.87,-1.26,-5.490518719375517
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(C)=C(C(=O)OC(C)C)[C@@H]3c2ccc(F)c(Br)c2)cc1OC,C00838703_decoy,ITAL,Decoy,0,-8.7762,-8.16,-1.45,-8.052544097985589
CCn1c(SCC(=O)Nc2c(Br)cc(Br)cc2Br)nnc1-c1ccco1,C01269947_decoy,ITAL,Decoy,0,-8.06923,-7.38,-1.99,-7.416804609833418
O=C(CCN1C(=O)/C(=C\c2ccccc2Cl)SC1=S)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1,C01750765_decoy,ITAL,Decoy,0,-9.79362,-4.72,-3.05,-6.366504956749525
Cc1ccc(Cc2cnc(NC(=O)CCCN3C(=O)/C(=C/c4ccccc4Cl)SC3=S)s2)cc1,C01782792_decoy,ITAL,Decoy,0,-7.47756,-8.16,-3.55,-6.853191799896552
Cc1ccc(-n2c(SCC(=O)N[C@@H](C)CCc3ccccc3)nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1,C01803147_decoy,ITAL,Decoy,0,-9.91823,-8.17,-3.43,-7.484697063256743
CC(C)Cc1nc2sc3c(SCC(=O)Nc4ccc(Br)cc4)ncnc3c2c2c1CCCC2,C01822024_decoy,ITAL,Decoy,0,-10.1043,-5.84,-2.06,-7.522542041977837
O=C(CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3)N(c1ccccc1)c1ccccc1,C01836816_decoy,ITAL,Decoy,0,-9.74275,-9.76,,99.0
CCCCOc1ccc([C@@H]2Oc3ccc(Br)cc3[C@H]3C=C(c4ccc(OCC)cc4)NN32)cc1OC,C01836841_decoy,ITAL,Decoy,0,-8.51044,-5.97,-2.7,-6.476718883072234
CCOc1ccc(Br)cc1/C=c1/s/c(=C(\C#N)C(=O)N[C@H](C)c2ccccc2)n(-c2ccccc2)c1=O,C01881408_decoy,ITAL,Decoy,0,-8.13761,-8.35,-4.04,-8.995248359460016
O=C(CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCCC4)NC(c1ccccc1)c1ccccc1,C01896988_decoy,ITAL,Decoy,0,-9.03729,-10.0,-1.58,-8.448441626921008
CCOc1ccc(NC(=O)CSc2nc3cc(-c4ccccc4)sc3c(=O)n2-c2cc(C)ccc2C)cc1,C03346957_decoy,ITAL,Decoy,0,-9.11795,-5.86,-2.62,-6.529984427686412
CCCN(CCC)c1ccc(C(=O)N/N=C2/C(=O)N(C(c3ccccc3)c3ccccc3)c3ccccc32)cc1,C59152417_decoy,ITAL,Decoy,0,-8.68978,-7.76,-4.17,-7.033314613895707
Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccccc3)=NN2C(=S)NCc2ccccc2)cc1,C62602294_decoy,ITAL,Decoy,0,-10.5385,-9.99,-2.99,-9.63238343520924
CCCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(SC)cc1,C06162008_decoy,ITAL,Decoy,0,-8.42022,-4.39,-0.61,-6.340249380903447
CCCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4)nn3c2=O)cc1,C01831395_decoy,ITAL,Decoy,0,-8.04371,-6.68,-4.79,-6.2638594815681214
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc4ccccc34)c(=O)n2[C@H]1c1ccccc1Cl,C01811340_decoy,ITAL,Decoy,0,-9.48774,-7.05,-2.92,-9.675159488517066
CCCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2C)SC1=S,C09234301_decoy,ITAL,Decoy,0,-9.29597,-7.58,-3.81,-7.529645579247673
COc1ccc(COC(=O)C2C(C)=NC3=C(C(=O)C[C@H](c4cccs4)C3)[C@H]2c2ccc(Cl)cc2)cc1,C09553455_decoy,ITAL,Decoy,0,-8.77348,-7.42,,99.0
CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2ccc(Cl)cc2)C1C(=O)OCCOc1ccccc1,C09635750_decoy,ITAL,Decoy,0,-9.69936,-9.21,-1.74,-8.643058449781295
CCOCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)c3ccccc3)cc2)sc2cc(C)cc(C)c21,C09766299_decoy,ITAL,Decoy,0,-8.68426,-8.48,-2.05,-10.107228019477745
CC[C@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(Cc2ccco2)c2nc3ccc(C)cc3s2)cc1,C10528515_decoy,ITAL,Decoy,0,-8.56958,-6.86,-2.82,-6.709577222447227
CCc1ccc2nc(N(C[C@@H]3CCCO3)C(=O)[C@@H]3CCCCN3S(=O)(=O)c3cccs3)sc2c1,C10786388_decoy,ITAL,Decoy,0,-9.87542,-5.68,-2.71,-6.868370522416024
COc1ccc(C(=O)N(Cc2ccco2)Cc2cc3cccc(C)c3nc2-c2cc(OC)ccc2OC)cc1,C12508681_decoy,ITAL,Decoy,0,-8.36038,-7.67,-1.87,-8.089353673902924
Cn1c([C@@H](C#N)C(=O)c2cccc(S(=O)(=O)N(Cc3ccccc3)c3ccccc3)c2)nc2ccccc21,C06094792_decoy,ITAL,Decoy,0,-8.82217,-8.16,-3.57,-7.972571710926651
C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2/SC(=S)N(C)C2=O)cc1OC,C13941733_decoy,ITAL,Decoy,0,-7.75321,-7.52,-2.34,-8.758934108952339
Cc1ccc(OCCOc2ccc([N+](=O)[O-])cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1C,C13942690_decoy,ITAL,Decoy,0,-6.70336,-8.59,-3.13,-7.772072982792606
c1ccc([C@@H](c2ccc(CCCCc3ccc([C@H](c4ccccc4)n4cncn4)cc3)cc2)n2cnnc2)cc1,C15774039_decoy,ITAL,Decoy,0,-8.09854,-7.96,-4.13,-6.786318972015584
CCCN([C@@H](C)c1nc2cc(Cl)ccc2c(=O)n1-c1ccc(OC)cc1)S(=O)(=O)c1ccc(C)cc1,C16425526_decoy,ITAL,Decoy,0,-8.05225,-6.93,-2.51,-9.194010419279913
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1,C16504001_decoy,ITAL,Decoy,0,-6.95061,-7.5,-2.81,-7.247205439778948
CCCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C)C(=O)c1cc(OC)cc(OC)c1,C16530796_decoy,ITAL,Decoy,0,-8.01837,-7.52,-2.44,-7.783193388625644
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(OC)cc1)C(=O)c1cccc(OC)c1,C16569243_decoy,ITAL,Decoy,0,-7.71039,-7.69,-2.36,-9.531044223051854
C=CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1csc(-n2nc(C)cc2C(F)(F)F)n1,C08671281_decoy,ITAL,Decoy,0,-10.0978,-7.94,-3.32,-7.94691242876639
CCCCN(C)S(=O)(=O)c1ccc2c(c1)nc(SCc1ccc(OC(F)F)cc1)n2C1CCCC1,C23461283_decoy,ITAL,Decoy,0,-8.76487,-5.81,-2.54,-6.4261457803484285
CCOCCCn1c(SCc2cccc(F)c2F)nc2cc(S(=O)(=O)N3CCC[C@H](C)C3)ccc21,C23462017_decoy,ITAL,Decoy,0,-9.43301,-7.71,-4.2,-8.295494976653998
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1cc(OC)cc(OC)c1,C33665053_decoy,ITAL,Decoy,0,-9.87546,-6.95,-3.07,-7.937547428331923
C=CCN(CC(=O)N(Cc1ccccc1)Cc1coc2ccc(C)cc2c1=O)C(=O)[C@@H]1C[C@H]1c1ccccc1,C34914644_decoy,ITAL,Decoy,0,-8.06751,-8.69,-4.14,-8.729121715442245
C=CCOc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(F)cc4)c(=O)n32)cc1OC,C34920259_decoy,ITAL,Decoy,0,-10.359,-5.01,-3.53,-6.089605790843717
COC(=O)C1=C(C(=O)OC)[C@H]2C[C@@H]3[C@H]4CC=C5C[C@@H](OC(C)=O)CC[C@]5(C)[C@@H]4CC[C@]3(C)C2=C(C(C)=O)C1,C35240626_decoy,ITAL,Decoy,0,-8.17149,-4.62,-2.17,-5.746882502467542
COc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)[C@H](Cl)c2ccccc2)C(C)C)cc1,C35245254_decoy,ITAL,Decoy,0,-6.50585,-7.57,-3.76,-7.048390468638517
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1cccc(C)c1)C(=O)[C@H](Cl)c1ccccc1,C35246604_decoy,ITAL,Decoy,0,-10.3282,-10.11,-4.03,-12.04291651950422
CC(C)CN(Cc1cnc(S(=O)(=O)Cc2ccc(F)cc2)n1Cc1ccccc1)C(=O)c1ccccc1,C35667557_decoy,ITAL,Decoy,0,-9.00988,-8.1,,99.0
CCOCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C)cc1)S(=O)(=O)Cc1ccccc1,C35770977_decoy,ITAL,Decoy,0,-9.25003,-7.57,-3.96,-8.222046038235842
CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1,C35775774_decoy,ITAL,Decoy,0,-8.51621,-7.45,-1.77,-7.776984960709587
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)cc1,C38592601_decoy,ITAL,Decoy,0,-9.03823,-7.24,-2.07,-7.104198189789519
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(N3C[C@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S,C13646014_decoy,ITAL,Decoy,0,-9.27828,-5.89,-3.45,-6.927368058334357
CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2N2C[C@@H](C)C[C@H](C)C2)SC1=S,C39769349_decoy,ITAL,Decoy,0,-8.59074,-6.37,-3.13,-8.723660766209122
CCOc1ccc(-n2c(SCC(=O)c3ccc(OC)cc3)nc3sc4c(c3c2=O)CC[C@@H](C)C4)cc1,C39869249_decoy,ITAL,Decoy,0,-8.4723,-8.17,-3.17,-7.711083981300291
C=CCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(OCC)cc2)cc1OCC,C39878468_decoy,ITAL,Decoy,0,-8.84309,-5.4,-1.57,-6.2629469525332535
CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1OCC,C39880102_decoy,ITAL,Decoy,0,-8.33264,-5.39,-2.99,-6.188021135348117
CCOc1ccc(N2C[C@@H](c3nc4ccccc4n3CCCCOc3cc(C)ccc3C(C)C)CC2=O)cc1,C39907852_decoy,ITAL,Decoy,0,-8.02795,-8.72,-3.26,-8.075290455083929
CCOc1ccc(/C=C/c2nc3s/c(=C\c4ccc(OCc5ccc(C)cc5)c(OC)c4)c(=O)n3n2)cc1,C40015562_decoy,ITAL,Decoy,0,-9.68015,-7.14,-2.96,-6.686790881418809
COc1ccc([C@H]2C(C(=O)OCC(C)C)=C(C)N=c3s/c(=C\c4ccc5c(c4)C[C@@H](C)O5)c(=O)n32)cc1,C40016752_decoy,ITAL,Decoy,0,-9.15173,-6.75,-3.12,-7.118295527799675
CCCCOc1ccc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1OCC,C40044252_decoy,ITAL,Decoy,0,-8.62667,-5.12,-1.89,-5.752042753634454
CCCOc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1OCC,C40056563_decoy,ITAL,Decoy,0,-9.44642,-4.74,-1.47,-5.583291955075174
CCOc1cc([C@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2C[C@H]2CCCO2)ccc1OCCC(C)C,C40065945_decoy,ITAL,Decoy,0,-8.60254,-6.1,-2.74,-6.637840977231216
CCOc1ccc(N2C[C@H](c3nc4ccccc4n3CCCCOc3ccc(C(C)(C)C)cc3)CC2=O)cc1,C40271408_decoy,ITAL,Decoy,0,-8.92435,-7.09,-4.21,-7.815532706080129
CCCCN([C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C,C40356700_decoy,ITAL,Decoy,0,-6.44655,-8.33,-3.84,-7.3267832880970305
CCCN([C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1)S(=O)(=O)c1c(C)cc(C)cc1C,C40360293_decoy,ITAL,Decoy,0,-7.30881,-7.62,-3.43,-8.092551517662754
CCOC(=O)C1CCN(c2nc3c(C)cccc3cc2/C=C2\SC(=S)N(Cc3ccco3)C2=O)CC1,C40562582_decoy,ITAL,Decoy,0,-9.18272,-5.12,-1.86,-6.202297021708583
O=C(CCN1C(=O)/C(=C/c2ccccc2)SC1=S)Oc1ccc2oc(=O)sc2c1-c1ccc(Br)cc1,C01838988_decoy,ITAL,Decoy,0,-9.85878,-8.67,-2.44,-9.178014027530102
COc1ccc([C@H]2CC(=O)C3=C(C2)OC2=C(C(=O)C[C@H](c4ccc(OC)cc4)C2)C3c2ccc(OC)c(OC)c2)cc1,C01904987_decoy,ITAL,Decoy,0,-9.48052,-5.4,-1.82,-6.478156892785774
CCOC(=O)c1ccc(/N=C2\S/C(=C/c3cc(Br)c(OC)c(OCC)c3)C(=O)N2C)cc1,C34112324_decoy,ITAL,Decoy,0,-8.04751,-6.42,-1.46,-8.827026995846575
Cc1cc(/C=C2\S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1cccc([N+](=O)[O-])c1,C59427290_decoy,ITAL,Decoy,0,-8.87221,-8.84,-3.94,-9.195010921708109
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)c5ccc([N+](=O)[O-])cc5)CC[C@]4(C)[C@@H]3CC[C@@]21C,C04281036_decoy,ITAL,Decoy,0,-7.62998,-6.39,-3.62,-5.972706355416681
Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(C[C@H]2CCCO2)C1=O,C02431750_decoy,ITAL,Decoy,0,-9.44771,-6.92,-3.33,-7.973828181722852
CCCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(CC)Cc3ccccc3)cc2)sc2ccc(OC)cc21,C09583058_decoy,ITAL,Decoy,0,-8.95377,-6.44,-3.74,-6.880801452432703
COc1ccc(N(CC(=O)N(Cc2ccccc2)Cc2ccccc2)S(=O)(=O)c2ccc(F)cc2)cc1,C09847002_decoy,ITAL,Decoy,0,-8.68252,-5.46,-2.72,-6.1150624659558375
CCOc1cc(/C=C2/SC(=S)N(c3ccccc3)C2=O)ccc1OCCCOc1cc(C)cc(C)c1,C09969744_decoy,ITAL,Decoy,0,-8.90529,-7.86,-3.44,-9.895077448967657
CCN(CC)S(=O)(=O)c1ccc(C(=O)N(C[C@H]2CCCO2)c2nc3c(C)cc(Cl)cc3s2)cc1,C10526702_decoy,ITAL,Decoy,0,-10.001,-9.08,-1.63,-13.190651936054342
CCc1cccc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc12,C10527581_decoy,ITAL,Decoy,0,-8.60836,-8.98,-1.88,-10.29324785176824
CCOCCn1/c(=N/C(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)sc2cc(SC)ccc21,C10065445_decoy,ITAL,Decoy,0,-9.08853,-7.63,-3.91,-8.302016045482398
COc1ccc([C@@H]2C3=C(C[C@@H](c4cccs4)CC3=O)N=C(C)C2C(=O)OCCc2ccccc2)cc1OC,C09601157_decoy,ITAL,Decoy,0,-11.0105,-8.28,-2.53,-9.004988473123056
COc1ccc(C(=O)N(CC(=O)N(Cc2ccccc2)Cc2cccn2Cc2ccc(F)cc2)C(C)C)cc1,C16462115_decoy,ITAL,Decoy,0,-7.11527,-8.98,-2.89,-9.355097233412762
CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)S(=O)(=O)c1ccc(OC)cc1,C16490415_decoy,ITAL,Decoy,0,-9.26484,-7.81,-2.26,-10.285432340538206
CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc([N+](=O)[O-])cc1,C16503451_decoy,ITAL,Decoy,0,-7.13218,-7.18,-2.98,-7.139125258687365
CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1ccc(C)c([N+](=O)[O-])c1,C16504004_decoy,ITAL,Decoy,0,-5.18266,-7.94,-2.69,-6.369851140588775
COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)C(=O)c1ccc(C(C)(C)C)cc1,C16529597_decoy,ITAL,Decoy,0,-9.60185,-8.17,-2.6,-11.603862477777882
CCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O)C(=O)Cc1cccs1,C16532772_decoy,ITAL,Decoy,0,-9.49991,-8.83,-3.8,-10.129195561530317
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccccc1)C(=O)c1ccc(OC)cc1OC,C16569348_decoy,ITAL,Decoy,0,-7.56064,-8.81,-3.35,-9.13512231821812
O=C(CN(C[C@@H]1CCCO1)C(=O)c1ccc(-c2ccccc2)cc1)N(Cc1ccc(F)cc1)Cc1ccco1,C16652673_decoy,ITAL,Decoy,0,-9.7184,-7.86,-2.36,-8.976053806367194
C=CCOc1ccc(C(C2C(=O)CC(c3ccccc3)CC2=O)C2C(=O)CC(c3ccccc3)CC2=O)cc1,C08926008_decoy,ITAL,Decoy,0,-8.55206,-8.35,-4.35,-8.644196530331172
Cc1cc(/C=C2/S/C(=N\Cc3ccccc3)N(Cc3ccccc3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1,C20344754_decoy,ITAL,Decoy,0,-8.73749,-8.42,-4.16,-7.4718631029853135
CO[C@@H]1O[C@H](CBr)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@@H]1OCc1ccccc1,C22063792_decoy,ITAL,Decoy,0,-8.27354,-9.23,-3.55,-13.93871060987384
CC[C@H](C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)S(=O)(=O)c1ccc(C(C)(C)C)cc1,C33758810_decoy,ITAL,Decoy,0,-10.0186,-8.32,-4.8,-10.17831794622953
CCOc1ccc(-n2c([C@H](CC)N(C)S(=O)(=O)c3cccc4ccccc34)nc3ccccc3c2=O)cc1,C35060448_decoy,ITAL,Decoy,0,-8.22915,-7.13,-1.76,-6.546474105209516
CCCCCN(C(=O)[C@@H](Cl)c1ccccc1)[C@H](CC)c1nc2ccccc2c(=O)n1-c1ccc(OC)cc1,C35068314_decoy,ITAL,Decoy,0,-8.67643,-7.8,-4.22,-8.913237802773317
CC[C@H](C(=O)N(Cc1ccco1)[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(C)cc1C)c1ccccc1,C35071236_decoy,ITAL,Decoy,0,-6.68239,-7.23,-2.2,-6.729985946842852
CC[C@H](C)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)S(=O)(=O)c1cccc2ccccc12,C35363771_decoy,ITAL,Decoy,0,-8.61929,-9.24,-3.2,-11.118950987318284
CCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OCC,C35513192_decoy,ITAL,Decoy,0,-8.27625,-5.27,-1.98,-5.34844963027985
CCCCCCc1ccc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@@H]2c2ccco2)C2CC2)cc1,C35706933_decoy,ITAL,Decoy,0,-8.92564,-8.02,-3.19,-8.426326295874345
C=CCN(CC(=O)N(Cc1ccc(F)cc1)Cc1sccc1C)S(=O)(=O)c1ccc(C(C)(C)C)cc1,C35775786_decoy,ITAL,Decoy,0,-10.1887,-7.95,-3.53,-9.805307803029892
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C(C)C)cc1)C(=O)c1ccc(OC)cc1,C36116763_decoy,ITAL,Decoy,0,-8.46811,-6.67,-3.46,-7.145013672569086
COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C)cc2C)CC2CC2)cc1,C36119202_decoy,ITAL,Decoy,0,-9.77692,-8.72,-2.43,-11.882575823962988
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@H]2COc2ccc(F)cc2)CC2CC2)cc1,C36124320_decoy,ITAL,Decoy,0,-10.1666,-8.19,-2.06,-8.647518302123657
CC1=C(C#N)C(=O)N(CCCOC(C)C)C(=O)C1=Cc1cn(-c2ccccc2)nc1-c1c(C)cc(C)cc1C,C38606638_decoy,ITAL,Decoy,0,-9.68817,-8.5,-3.97,-9.68946275534277
O=S(=O)(Oc1ccccc1)[C@H]1CC[C@]2(C[C@H](Cc3ccccc3)CN2S(=O)(=O)Oc2ccccc2)C1,C39508191_decoy,ITAL,Decoy,0,-9.51398,-7.24,-4.2,-7.669628985119295
CCCC[C@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCCCC2)SC1=S,C39770502_decoy,ITAL,Decoy,0,-9.51956,-4.5,-3.73,-6.02411888842161
CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2cc(C)ccn2)ccc1OCc1ccccc1,C39837863_decoy,ITAL,Decoy,0,-8.83543,-6.59,-3.33,-6.994872331254655
CCCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OCc3ccccc3)cc2)s1,C39837954_decoy,ITAL,Decoy,0,-8.83106,-7.29,-3.29,-7.149303655139054
CCCCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OCC,C39838984_decoy,ITAL,Decoy,0,-8.13365,-5.4,-2.16,-6.217506253946595
CCOc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cccc(C)n2)ccc1OCCC(C)C,C39838986_decoy,ITAL,Decoy,0,-7.91453,-5.64,-2.98,-6.460306260088066
CCCCCCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2CCc2ccc(OC)cc2)cc1,C39840544_decoy,ITAL,Decoy,0,-7.89812,-5.86,-2.81,-6.886253167916748
COc1cc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)ccc1OCCC(C)C,C39879521_decoy,ITAL,Decoy,0,-8.5118,-5.27,-2.15,-6.046412367337575
CO[C@H]1O[C@@H](CBr)[C@H](OCc2ccccc2)[C@H](OCc2ccccc2)[C@H]1OCc1ccccc1,C39937292_decoy,ITAL,Decoy,0,-8.69334,-8.86,-4.48,-11.659042040701468
CCCC[C@@H](CC)CN1C(=O)/C(=C/c2c(Oc3ccccc3F)nc3ccc(C)cn3c2=O)SC1=S,C39999226_decoy,ITAL,Decoy,0,-11.3535,-8.18,-2.31,-8.836132432791686
CCCCOc1cccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccccc4)nn3c2=O)c1,C40004443_decoy,ITAL,Decoy,0,-8.80725,-7.25,-2.85,-6.659938616474305
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc4c(c3)C[C@H](C)O4)c(=O)n2[C@H]1c1cccc(Cl)c1,C40016797_decoy,ITAL,Decoy,0,-9.2735,-8.27,-3.09,-8.448458911480493
CCCCCOc1ccc([C@@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2cccc(C)n2)cc1OCC,C40065938_decoy,ITAL,Decoy,0,-7.93406,-7.47,-2.33,-7.960368818786311
CCCCCOc1ccc([C@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2cccc(C)n2)cc1OCC,C40065939_decoy,ITAL,Decoy,0,-8.59063,-4.95,-4.57,-6.232479184828179
CCCOc1ccc(CN(C(=O)c2oc3ccc(Br)cc3c2C)[C@@H]2CCS(=O)(=O)C2)cc1,C40114716_decoy,ITAL,Decoy,0,-9.40236,-8.17,-2.72,-9.297759050639112
CCOC(=O)c1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)SC2=S)cc1,C40867448_decoy,ITAL,Decoy,0,-7.23027,-6.15,-3.01,-5.813368841073597
COC(=O)C1=C(C)N(c2ccc(N(C)C)cc2)C(C)=C(C(=O)OC)C1c1ccc(OC)c(Br)c1,C00844886_decoy,ITAL,Decoy,0,-7.53553,-4.01,-3.59,-4.63119181901154
C=CCn1cc(/C=c2/sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21,C06378574_decoy,ITAL,Decoy,0,-9.62129,-7.94,-3.15,-7.894887923756735
CCSCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cccc(Br)c1,C04068263_decoy,ITAL,Decoy,0,-9.85105,-8.56,-1.7,-10.83396919267354
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)N(Cc2cccs2)C2CCCCC2)cc1,C00934068_decoy,ITAL,Decoy,0,-9.67179,-6.9,-4.5,-7.887863420284802
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(N(CC)CC)cc3OC)c(=O)n2[C@@H]1c1ccc(C)cc1,C02916519_decoy,ITAL,Decoy,0,-7.54811,-7.43,-1.26,-12.01429777484894
CCCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(SC)cc1,C06149882_decoy,ITAL,Decoy,0,-9.27991,-5.5,-2.11,-7.927811334036042
CCOC(=O)C1=C(C(=O)OCC)SC(=C2C(=S)C(C)(C)N(C(=O)C(C)C)c3ccc(C)cc32)S1,C06545812_decoy,ITAL,Decoy,0,-8.05899,-7.49,-3.66,-7.59160620827436
Cc1cccc(OCCOc2ccc(Br)cc2/C=N/c2c(C)n(C)n(-c3ccccc3)c2=O)c1,C02179827_decoy,ITAL,Decoy,0,-8.74417,-8.22,-2.53,-10.675999021903674
COc1cc(/C=C2/SC(=S)N(Cc3ccccc3)C2=O)ccc1OCCCOc1cccc(C)c1C,C09112993_decoy,ITAL,Decoy,0,-8.88714,-7.99,-4.26,-7.082240206532816
CCCC[C@H](CC)CN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cccc(OCC)c2)SC1=S,C09424234_decoy,ITAL,Decoy,0,-9.25173,-6.42,-3.8,-7.212272146319517
CCOc1cc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nc(C)c(C)s2)ccc1OCCC(C)C,C09556583_decoy,ITAL,Decoy,0,-8.64551,-6.8,-1.96,-9.21727213472976
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(C)c3n2CCOC)cc1,C09764746_decoy,ITAL,Decoy,0,-8.37702,-8.07,-3.03,-6.909294212999394
CCc1cccc2sc(N(C[C@H]3CCCO3)C(=O)[C@H]3CCCCN3S(=O)(=O)c3cccs3)nc12,C10786309_decoy,ITAL,Decoy,0,-9.73696,-7.61,-2.49,-8.870671655666943
CCOc1cc(/C=C2/SC(=S)N(C)C2=O)cc(Br)c1OCCOc1cc(C)cc(C)c1,C12349765_decoy,ITAL,Decoy,0,-7.6769,-8.05,-3.21,-7.937383853994146
C=CCn1cc(/C=c2\sc3n(c2=O)[C@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21,C02992358_decoy,ITAL,Decoy,0,-9.69325,-5.13,-3.14,-5.9233626548693525
CCc1ccc(-n2c(=S)sc3c(=O)n(-c4ccccc4C)c(SCC(=O)N(CC)CC)nc32)cc1,C03026735_decoy,ITAL,Decoy,0,-8.21811,-6.77,-3.17,-9.854439731560827
C=CCn1cc(/C=c2\sc3n(c2=O)[C@@H](c2ccc(N(C)C)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21,C15220097_decoy,ITAL,Decoy,0,-9.32357,-7.94,-2.36,-7.776149693771309
CCOc1ccc(-n2c([C@H](C)N(CC(C)C)S(=O)(=O)c3ccc(F)cc3)nc3ccccc3c2=O)cc1,C16428800_decoy,ITAL,Decoy,0,-7.30052,-6.79,-3.78,-7.094758237746352
CCc1ccc(C(=O)N(CC(=O)N(Cc2cccn2Cc2ccc(F)cc2)C2CCCCC2)[C@H](C)CC)cc1,C16458308_decoy,ITAL,Decoy,0,-7.94132,-8.16,,99.0
CC(C)CN(CC(=O)N(Cc1ccccc1)Cc1cccn1Cc1ccc(F)cc1)C(=O)c1ccc(F)cc1,C16462081_decoy,ITAL,Decoy,0,-7.32592,-8.4,-2.58,-7.355139735896703
Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(OS(=O)(=O)c3ccc(F)cc3)cc2)CC(C)C)c(C)c1,C16499067_decoy,ITAL,Decoy,0,-8.48403,-8.68,-2.11,-8.027679299640518
CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1,C16503886_decoy,ITAL,Decoy,0,-6.48675,-7.64,-3.6,-7.497988902009639
CC[C@H](C)N(CC(=O)N1CCc2sccc2[C@H]1c1ccc(OC)cc1)C(=O)c1ccc(C(C)(C)C)cc1,C16507353_decoy,ITAL,Decoy,0,-9.0962,-5.08,-3.63,-6.1582444906778
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCOCC)C2=O)c(C)c1,C16713543_decoy,ITAL,Decoy,0,-8.77893,-7.18,-3.83,-8.6956869217302
COc1ccc(-c2nn(-c3nc(-c4ccccc4)c(C)s3)c(-c3ccc(OC)c(OC)c3)c2C)cc1OC,C22861028_decoy,ITAL,Decoy,0,-8.47977,-6.43,-3.17,-6.436640967654127
CCOCCCn1c(SCc2cccc(F)c2F)nc2cc(S(=O)(=O)N3CCC[C@@H](C)C3)ccc21,C23462014_decoy,ITAL,Decoy,0,-9.34462,-7.25,-3.51,-10.53888682004098
Fc1ccc(Cn2nnnc2[C@@H](c2cccc(C(F)(F)F)c2)N(Cc2ccccc2)Cc2ccco2)cc1,C13561877_decoy,ITAL,Decoy,0,-8.39888,-11.4,-1.73,-10.276082510923652
CCCC(=O)N(c1ccc2oc(-c3ccccc3)c(C(=O)OCC)c2c1)S(=O)(=O)c1ccc(C)cc1C,C28119618_decoy,ITAL,Decoy,0,-9.18619,-8.13,,99.0
CCCCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1,C35514074_decoy,ITAL,Decoy,0,-8.59017,-4.76,-3.56,-5.459519829786346
CCOc1cc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nccs2)ccc1OCCC(C)C,C35514128_decoy,ITAL,Decoy,0,-9.52998,-5.67,-3.15,-8.032387880865132
CC[C@H](C)CN(CC(=O)N(Cc1ccccc1)Cc1ccc(C)s1)S(=O)(=O)c1ccc(Cl)cc1,C35805262_decoy,ITAL,Decoy,0,-9.9298,-7.23,-2.11,-8.558762200393783
COC(=O)c1c(C)c(C(=O)[C@H](C)N(Cc2ccc(F)cc2)C(=O)c2ccc(-c3ccccc3)cc2)c(C)n1C,C35868511_decoy,ITAL,Decoy,0,-8.19227,-8.6,-4.11,-9.613105256741338
Cc1nn(-c2ccc(Cl)cc2)c(Oc2ccccc2)c1CN(C[C@@H]1CCCO1)C(=O)c1ccc(F)cc1,C35975459_decoy,ITAL,Decoy,0,-9.94514,-6.83,-2.73,-7.498412813455612
Cc1ccc(S(=O)(=O)N(CC(=O)N2CCc3sccc3[C@@H]2COc2ccc(C)cc2C)C2CC2)cc1,C36124148_decoy,ITAL,Decoy,0,-10.8767,-9.43,-2.26,-15.710678003776154
Cc1cccc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N(C)C4CCCCC4)cc3)nc12,C10527914_decoy,ITAL,Decoy,0,-8.63712,-9.33,-1.45,-13.755950120241142
CCCCCCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1,C38648947_decoy,ITAL,Decoy,0,-8.66545,-5.4,-1.81,-6.50684884010507
CCCCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cc(C)ccn2)cc1OCC,C39838481_decoy,ITAL,Decoy,0,-8.48158,-4.59,-2.82,-5.84033565152463
CCCCCCOc1c(Cl)cc(C(=O)N(Cc2ccc(CC)cc2)[C@H]2CCS(=O)(=O)C2)cc1Cl,C39869100_decoy,ITAL,Decoy,0,-9.73351,-7.78,-3.31,-8.468713809351163
CCCOc1ccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2cccc(OC)c2)cc1OCC,C39874497_decoy,ITAL,Decoy,0,-8.53195,-5.08,-1.4,-5.364157541939544
COC(=O)CC[C@@H](C)[C@H]1CC[C@@H]2[C@H]3CC[C@H]4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3[C@@H](Br)C(=O)[C@@]21C,C39942679_decoy,ITAL,Decoy,0,-9.13393,-4.56,-1.8,-6.230211695211857
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCCCC2)SC1=S,C39990326_decoy,ITAL,Decoy,0,-9.27197,-4.3,,99.0
CCCCCOc1cccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nnc(CC)s2)c1,C40056498_decoy,ITAL,Decoy,0,-9.71206,-5.94,-3.46,-6.8473117906300285
CCCOc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cccc(C)n2)cc1OCC,C40056567_decoy,ITAL,Decoy,0,-8.82681,-5.72,,99.0
CCCCCCOc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1,C40056609_decoy,ITAL,Decoy,0,-8.11231,-6.02,,99.0
CCCOc1ccc([C@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1OCC,C40065801_decoy,ITAL,Decoy,0,-9.16849,-4.94,-1.43,-5.998783793525473
CCCCN([C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)S(=O)(=O)c1c(C)cc(C)cc1C,C40356699_decoy,ITAL,Decoy,0,-6.53146,-6.07,-4.88,-6.170760910118945
COc1ccc(S(=O)(=O)N(CC(=O)N(Cc2ccccc2)Cc2ccc(C)s2)C2CCCCC2)cc1,C40372184_decoy,ITAL,Decoy,0,-8.86619,-8.7,-1.96,-10.53859432241934
CCOC(=O)c1cccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C)cc4)c(OC)c3)SC2=S)c1,C40867449_decoy,ITAL,Decoy,0,-9.33282,-6.36,-4.1,-6.43294687739914
Cc1ccc(-c2cnc(CCC(=O)N(Cc3ccc(-c4ccc(F)cc4)o3)[C@@H]3CCS(=O)(=O)C3)o2)cc1,C41020967_decoy,ITAL,Decoy,0,-8.27077,-8.78,-2.34,-9.238833374836217
COC(=O)[C@]1(C#N)[C@H](c2ccc(N(C)C)cc2)[C@@H](C(=O)c2ccc(OC)c(Br)c2)N2c3ccccc3C=C[C@H]21,C01751179_decoy,ITAL,Decoy,0,-9.08361,-8.14,-3.27,-8.325151309945822
Cc1nc2ccccc2c2c1C(=O)N(c1ccc(C(=O)OCC(=O)c3ccc(-c4ccccc4)cc3)cc1)C2=O,C01827302_decoy,ITAL,Decoy,0,-8.28164,-8.53,-4.04,-8.9084119923767
CC(C)Oc1ccc(CSc2nnc3n(CCc4ccccc4)c(=O)c4c5c(sc4n23)CCCC5)cc1,C01837694_decoy,ITAL,Decoy,0,-10.0458,-6.3,-3.05,-6.620555169798071
Cc1ccc2c(c1)C(C)(C)C(/C=C\C1=C(Cl)C(=C/C=C3\N(C)c4ccc(C)cc4C3(C)C)CCC1)=[N+]2C,C03845433_decoy,ITAL,Decoy,0,-8.44225,-9.53,-1.8,-7.473296665350264
Cc1ccc(C2=C(Cl)/C(=C/C[NH+]3CCCCC3)[C@@H](c3ccccc3)c3ccccc3O2)cc1,C01746493_decoy,ITAL,Decoy,0,-8.06562,-5.84,-3.57,-5.762858751547995
CC(C)[NH2+]C[C@H](O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21,C08398879_decoy,ITAL,Decoy,0,-9.3028,-8.75,-2.89,-10.731162416447196
CC(C)[NH2+]C[C@@H](O)COC(Cn1c2ccccc2c2ccccc21)Cn1c2ccccc2c2ccccc21,C08398883_decoy,ITAL,Decoy,0,-9.30356,-8.52,-2.74,-11.491596261467109
CC1=C(C)[C@H]([NH2+]C[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)N(C[C@@H]2CCCO2)C1=O,C08952004_decoy,ITAL,Decoy,0,-7.85505,-7.24,-1.45,-8.136125097274002
CC1=C(C)[C@@H]([NH2+]C[C@H]2CCCO2)N(C[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)C1=O,C08983975_decoy,ITAL,Decoy,0,-8.78135,-8.35,-2.67,-7.46836911308594
C[NH+]1CCc2c(sc(NC(=O)CSc3ccc(Cl)cc3)c2-c2nc3ccccc3s2)C1,C09630210_decoy,ITAL,Decoy,0,-9.03456,-5.61,-2.75,-5.5395501204674265
Cc1ccc2nc(N(CCC[NH+](C)C)C(=O)c3cc4c(ccc5ccccc54)oc3=O)sc2c1,C10067490_decoy,ITAL,Decoy,0,-10.0719,-5.98,-3.27,-7.536311414994453
COC(=O)C[NH+]1[C@@H](c2ccccc2)c2cc(Br)ccc2N[C@H]1c1ccc(F)cc1,C12311473_decoy,ITAL,Decoy,0,-10.4011,-9.65,-3.44,-11.918198958756683
C[NH2+]C(c1ccccc1)(c1ccccc1)c1ccccc1N(C)C(=O)CC12CC3CC(CC(C3)C1)C2,C12416961_decoy,ITAL,Decoy,0,-7.89472,-8.78,-3.96,-8.582065921818213
C[C@@H]1CCCC[NH+]1C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21,C09546579_decoy,ITAL,Decoy,0,-8.14249,-5.53,-3.35,-5.584287268672023
C[C@H]1CCCC[NH+]1C[C@H](O)Cn1c(-c2ccccc2)c(-c2ccccc2)c2ccc3ccccc3c21,C09546580_decoy,ITAL,Decoy,0,-9.27933,-5.68,-1.67,-6.062710655447623
Cc1ccc2c(c1)C(C)(C)C(/C=C\C1=C(Cl)/C(=C/C=C3/N(C)c4ccc(C)cc4C3(C)C)CCC1)=[N+]2C,C13404022_decoy,ITAL,Decoy,0,-8.49575,-8.38,-3.22,-7.509684923187878
CC(C)Sc1nc2sc3c(c2c2nnc(SCC[NH+]4CCCCC4)n12)CC(C)(C)OC3,C02224657_decoy,ITAL,Decoy,0,-9.04262,-5.25,-2.2,-7.120700223681105
c1ccc(/N=N/c2ccc(-[n+]3c(-c4ccccc4)cc(-c4ccccc4)cc3-c3ccccc3)cc2)cc1,C15772585_decoy,ITAL,Decoy,0,-5.81717,-5.41,-3.3,-4.335552616778316
CSc1ccc([C@H](c2oc3ccccc3c2NC(=O)c2ccc(C)cc2)[NH+]2CCCCC2)cc1,C15859607_decoy,ITAL,Decoy,0,-9.63219,-5.82,-2.07,-6.434648651605012
CCc1c(C)sc2c1CC[NH+](CC(=O)Nc1ccc(Br)cc1)[C@H]2c1ccccc1,C15864856_decoy,ITAL,Decoy,0,-8.42509,-4.51,-2.62,-5.24917273926968
Cc1ccc2c(c1)c1c3n2CCC[NH+](Cc2cccc(Oc4ccc(Cl)cc4)c2)[C@H]3CCC1,C22078063_decoy,ITAL,Decoy,0,-7.60537,-9.97,-1.87,-6.624806426729175
O[C@@](Cc1ccccc1)(c1ccc(Br)cc1)[C@H](C[NH+]1CCCCC1)c1ccccc1,C27241589_decoy,ITAL,Decoy,0,-9.3129,-8.19,-2.57,-9.804170864108334
O[C@](c1ccccc1)(c1ccc(Br)cc1)[C@@H](C[NH+]1CCCCCC1)c1ccccc1,C27244834_decoy,ITAL,Decoy,0,-10.228,-9.66,-2.11,-10.951038822871435
COc1ccc([C@](O)(c2ccc(Br)cc2)[C@H](C[NH+]2CCCCCC2)c2ccccc2)cc1,C27244910_decoy,ITAL,Decoy,0,-10.5487,-4.93,-2.8,-6.983594870991114
COc1ccc([C@](O)(c2ccc(Br)cc2)[C@H](C[NH+]2CCCCC2)c2ccc(F)cc2)cc1,C27252932_decoy,ITAL,Decoy,0,-9.74087,-4.93,-1.33,-6.43117864162464
C=C(C)CSc1nc(N2CC[NH+](Cc3cc(C)ccc3C)CC2)c2c3c(sc2n1)CCCC3,C34756078_decoy,ITAL,Decoy,0,-9.15059,-5.17,-3.52,-5.523789418046598
c1ccc(CC[NH+]2CCN(c3nc(SCc4ccccc4)nc4sc5c(c34)CCCC5)CC2)cc1,C34756238_decoy,ITAL,Decoy,0,-8.45795,-7.51,-2.15,-6.573232627214452
CCCC[NH+]1CCN(c2nc(SCc3ccc(C)cc3C)nc3sc4c(c23)CCC4)CC1,C34757543_decoy,ITAL,Decoy,0,-7.76972,-7.32,,99.0
CCc1c(C)sc2nc(SCc3ccc(C)cc3C)nc(N3CC[NH+](CC(C)C)CC3)c12,C34761940_decoy,ITAL,Decoy,0,-8.5181,-5.44,-3.2,-5.38596380793175
CCc1c(C)sc2nc(SCc3cc(C)ccc3C)nc(N3CC[NH+](CC(C)C)CC3)c12,C34762011_decoy,ITAL,Decoy,0,-8.8601,-5.4,-2.04,-6.420444339981465
CC[NH+]1CCN(c2nc(SCc3cc(C)ccc3C)nc3scc(-c4ccccc4)c23)CC1,C34774628_decoy,ITAL,Decoy,0,-9.16641,-5.55,,99.0
Cc1cc2oc3c(c(=O)c2cc1C)[C@@H](c1cccc(Oc2ccccc2)c1)N(CC[NH+](C)C)C3=O,C35486695_decoy,ITAL,Decoy,0,-7.40625,-6.72,-2.86,-5.471730796665012
Fc1ccc(Nc2scc(-c3ccc(F)c(Cl)c3)[n+]2-c2ccc(Cl)cc2Cl)cc1Cl,C35812771_decoy,ITAL,Decoy,0,-11.7606,-10.07,-1.4,-15.722089746048471
Clc1ccc2c(c1)nc(N1CCC[NH+](Cc3ccsc3)CC1)n1c(C3CCCCC3)nnc21,C35890554_decoy,ITAL,Decoy,0,-8.60541,-4.43,-2.02,-5.420920461129695
Clc1ccc([C@H]2c3cccn3CCC[NH+]2Cc2cccc(Oc3ccccc3)c2)cc1Cl,C36347480_decoy,ITAL,Decoy,0,-8.56066,-9.45,-2.09,-7.985751454195199
C[C@H](Nc1c(Br)cc(Br)cc1Br)[C@@H]1CCC[NH+](C)C1,C37222011_decoy,ITAL,Decoy,0,-8.34425,-6.62,-1.58,-8.558404424307906
C=C1CCC[C@]2(C)C[C@H]3OC(=O)[C@H](C[NH2+][C@@H](Cc4ccccc4)[C@@H]4CCOC(C)(C)C4)[C@H]3C[C@H]12,C38555867_decoy,ITAL,Decoy,0,-7.97329,-10.06,-3.21,-8.22006764007116
Cc1cccc(N2C(=O)c3cc(I)ccc3N[C@@H]2/C=C/C2=c3ccccc3=[NH+][C@@H]2C)c1,C38597056_decoy,ITAL,Decoy,0,-8.2651,-6.2,-1.74,-5.166362282766812
Cc1ccccc1N1C(=O)c2cc(I)ccc2N[C@H]1/C=C/C1=c2ccccc2=[NH+][C@@H]1C,C38599358_decoy,ITAL,Decoy,0,-8.23555,-6.44,-1.89,-5.598417448887057
Cc1ccccc1N1C(=O)c2cc(I)ccc2N[C@H]1/C=C/C1=c2ccccc2=[NH+][C@H]1C,C38599361_decoy,ITAL,Decoy,0,-8.36188,-8.21,-2.88,-7.381913883049694
Cc1cccc(N2C(=O)c3cc(I)ccc3N[C@H]2/C=C/C2=c3ccccc3=[NH+]C2)c1,C38906411_decoy,ITAL,Decoy,0,-6.98867,-7.84,-1.6,-4.508677515902051
Cc1ccc(-n2c(/C=C/C3=c4ccccc4=[NH+][C@H]3C)nc3ccc(I)cc3c2=O)cc1,C38926310_decoy,ITAL,Decoy,0,-8.6221,-8.6,-4.14,-7.427205168517909
CCN1/C(=C/C2=CC3=C/C(=C/c4sc5cc(C)ccc5[n+]4CC)CC[C@H]3CC2)Sc2cc(C)ccc21,C39440161_decoy,ITAL,Decoy,0,-11.0216,-8.77,-4.26,-8.99307996899408
CCN1/C(=C/C2=C/C(=C/c3sc4cc(Cl)ccc4[n+]3CC)CC(C)(C)C2)Sc2cc(Cl)ccc21,C39440311_decoy,ITAL,Decoy,0,-10.9396,-6.88,-3.32,-7.983315238047355
Oc1ccccc1[C@H]1CCC[C@@]2(CCC[C@H](I)[NH+]2Cc2ccccc2)C1,C39520942_decoy,ITAL,Decoy,0,-7.54512,-5.15,-2.09,-5.155067317385597
CC1=C(/[NH+]=C/C2=C(c3ccccc3)S[C@H](c3ccccc3)C(Cc3ccccc3)=C2)[C@H](C)N=N1,C39944207_decoy,ITAL,Decoy,0,-9.74277,-5.29,-2.9,-6.281131002483976
C[C@@H](NC(=O)C1CC[NH+](Cc2ccc(Br)cc2)CC1)c1ccc(C(C)(C)C)cc1,C44906095_decoy,ITAL,Decoy,0,-8.40819,-7.0,-2.58,-6.802777671154479
FC(F)(F)c1ccc(/[NH+]=c2\oc3ccc(Br)cc3cc2-c2nc3ccccc3[nH]2)cc1,C08450275_decoy,ITAL,Decoy,0,-6.49965,-5.58,-4.15,-3.616362281677008
CCCCCn1c(/N=C/c2cc(Br)cc(Br)c2O)[nH+]c2ccccc21,C08951365_decoy,ITAL,Decoy,0,-8.74844,-8.18,-2.21,-8.169076364214899
Cc1ccn2c(CC(=O)Nc3ccc(Br)cc3C)c(-c3ccc(C)c(C)c3)[nH+]c2c1,C62041916_decoy,ITAL,Decoy,0,-7.79354,-4.69,-2.08,-4.823580166633712
Cc1cc(O)c(C[NH+]2C[C@@H](C)C[C@H](C)C2)c2c1C(=O)/C(=C\c1ccccc1Br)O2,C41583631_decoy,ITAL,Decoy,0,-8.24693,-7.12,-2.64,-6.868806039376408
COc1ccc([C@H]2NCCC3=c4ccccc4=[NH+][C@H]32)cc1COc1ccc(Br)cc1,C63350181_decoy,ITAL,Decoy,0,-8.23906,-5.28,-3.48,-5.93464800647925
Cc1cccc([C@](C)(O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)c[nH+]2)c1C,C65743033_decoy,ITAL,Decoy,0,-8.68368,-10.41,,99.0
CCOc1cc(/C=C2\C(=O)NC(=O)N(c3cc(C)cc(C)c3)C2=O)cc(Br)c1OCC(=O)[O-],C02948122_decoy,ITAL,Decoy,0,-7.6266,-8.71,-1.63,-8.699490320099608
CSCC[C@H](NC(=O)CCc1c(C)c2cc3c(C)coc3c(C)c2oc1=O)C(=O)NCCC(=O)[O-],C08790207_decoy,ITAL,Decoy,0,-8.12256,-6.79,-4.39,-7.59604408428652
CC[C@@H](C)[C@H](NC(=O)COc1ccc2c(c1)O/C(=C\c1ccc(OC)c(OC)c1OC)C2=O)C(=O)[O-],C08876231_decoy,ITAL,Decoy,0,-7.77415,-6.72,-3.09,-6.649595186316467
C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)NCC(=O)[O-])[C@]3(C)CC[C@@H]12,C08913887_decoy,ITAL,Decoy,0,-8.13495,-5.88,-2.81,-7.530576799603055
CC[C@H](C)[C@@H](NC(=O)CCC(=O)O[C@@H]1CC[C@H]2[C@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@]12C)C(=O)[O-],C08913949_decoy,ITAL,Decoy,0,-7.85759,-6.76,-2.85,-6.592180778990919
CC(=O)Nc1ccc(S(=O)(=O)N(CCc2ccccc2)CC(=O)N/N=C/c2ccccc2C(=O)[O-])cc1,C09066529_decoy,ITAL,Decoy,0,-7.56931,-7.48,-3.48,-7.944671051117083
CCn1cc(Cl)c(C(=O)N[C@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@@H]23)n1,C02747828_decoy,ITAL,Decoy,0,-8.04261,-4.67,-2.99,-5.572909103896916
Cn1nnnc1SCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3cc(F)c(F)cc3Cl)[C@@H]2SC1,C09944318_decoy,ITAL,Decoy,0,-7.94182,-6.04,-1.62,-5.025751825979076
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@@H](C)n4cc(Cl)c(C)n4)[C@H]3SC2)s1,C09974935_decoy,ITAL,Decoy,0,-8.54653,-6.92,-4.03,-6.760782529601282
CC[C@@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(-c4ccccc4)coc3c(C)c2oc1=O)C(=O)[O-],C02122327_decoy,ITAL,Decoy,0,-6.37413,-7.98,-1.6,-6.325960183765929
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(O)C(C)=O)[C@@]2(C)CC1)C(=O)[O-],C12877263_decoy,ITAL,Decoy,0,-8.07478,-7.66,-2.56,-9.395948098611033
COc1cc(CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2CCO)c([N+](=O)[O-])cc1OC(F)F,C13047018_decoy,ITAL,Decoy,0,-6.10743,-7.58,-2.1,-6.810550637234489
CCN(CC)C(=O)c1cccc(NC(=O)CSc2nnc(-c3ccc(OC)cc3)n2CC(=O)[O-])c1,C13219251_decoy,ITAL,Decoy,0,-7.49459,-6.36,-2.62,-6.408783978569954
COc1ccc(NC(=O)CCCNS(=O)(=O)c2ccc(C(=O)[O-])cc2)cc1S(=O)(=O)N(C)C,C13393555_decoy,ITAL,Decoy,0,-6.83584,-7.06,-2.12,-6.782244107431255
CC[C@@H](C)[C@H](NC(=O)CNC(=O)COc1ccc2c(C)c(Cc3ccccc3)c(=O)oc2c1C)C(=O)[O-],C16032659_decoy,ITAL,Decoy,0,-5.98597,-7.1,-3.4,-5.922790909603594
CCOc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc(OC)cc3)C2=O)ccc1O[C@H](CC)C(=O)[O-],C16918544_decoy,ITAL,Decoy,0,-7.99879,-7.29,-3.46,-6.875176910320199
CCOC(=O)C1=C([O-])NC(SCC(=O)Nc2cccc(OC)c2)=C(C#N)[C@@H]1c1ccccc1OCC,C19901143_decoy,ITAL,Decoy,0,-7.84843,-7.53,-3.42,-8.985333944038668
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C([O-])C(=O)N(CCCOC)[C@@H]2c2ccc(O)cc2)cc1,C09349749_decoy,ITAL,Decoy,0,-8.5562,-7.42,-2.22,-9.147457243418335
CCN(CC)S(=O)(=O)c1ccc(C(=O)C2=C([O-])C(=O)N(CCCOC)[C@H]2c2ccc(O)cc2)cc1,C09349742_decoy,ITAL,Decoy,0,-8.10897,-6.5,-1.94,-8.160508642512289
COc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@H](c2cc(OC)c(OC)c(OC)c2)C3)cc([N+](=O)[O-])c1[O-],C21222082_decoy,ITAL,Decoy,0,-8.0952,-7.03,-1.02,-8.679538297742472
COc1ccc(CCNC(=O)CSc2nnc(/N=C(\[O-])c3ccc([N+](=O)[O-])cc3)s2)cc1OC,C08823050_decoy,ITAL,Decoy,0,-7.11557,-6.41,-2.22,-5.429803769505773
O=C(NNC(=O)c1ccccc1-n1cnnn1)c1cccc(S(=O)(=O)[N-]c2ccccc2Cl)c1,C25527397_decoy,ITAL,Decoy,0,-7.91207,-9.42,-3.99,-8.135834830689221
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)CCc3ccccc3)cc2)nc(OC)n1,C13081291_decoy,ITAL,Decoy,0,-10.0998,-6.83,-4.74,-8.474301988088326
Cc1ccc(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3)c(=O)c3c(C)c(C(=O)[O-])sc32)cc1,C34779299_decoy,ITAL,Decoy,0,-8.96135,-5.2,-2.2,-6.279725009188791
C[C@]12CC[C@H]3[C@@H](CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])[C@H](O)c5ccccc5)CC[C@@]43C)[C@@H]1CC[C@@H]2O,C35361905_decoy,ITAL,Decoy,0,-9.32246,-7.8,-2.97,-6.900031112748623
CC1=C[C@@H]2O[C@H]3C[C@@H](OC(=O)/C=C/C=C/C(=O)[O-])[C@@](C)([C@@]2(COC(=O)/C=C(\C)CCO)CC1)[C@]31CO1,C37538469_decoy,ITAL,Decoy,0,-7.936,-7.57,-2.69,-8.03980879990847
CCc1nnc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(OC)c(OC)c3)cc2)s1,C02196033_decoy,ITAL,Decoy,0,-8.76138,-6.82,-1.67,-6.889095405313018
COc1cc(/C=C2/SC(=S)N(CCC(=O)Nc3ccc(C(=O)[O-])cc3)C2=O)cc(OC)c1OC,C15885229_decoy,ITAL,Decoy,0,-8.12795,-6.4,-2.52,-6.491429661169908
C=CCn1c(CC2=CS[C@@H](NC(=O)CCCN(C)S(=O)(=O)c3cccs3)[N-]2)n[nH]c1=S,C38798840_decoy,ITAL,Decoy,0,-7.91788,-6.62,-3.82,-6.975720627789139
C[C@@H]1Oc2nc(CSc3nnc(-c4cc5ccccc5[nH]4)n3-c3ccccc3)[nH]c(=O)c2[C@H]1C(=O)[O-],C39692796_decoy,ITAL,Decoy,0,-7.15207,-9.19,-2.26,-7.016077338289699
CCOC(=O)[C@@H]1[C@H](C)[C@H](C(=O)OCC)S[C@@H]1NC(=O)CSc1nnc2nc([O-])cc(CC)n12,C39732200_decoy,ITAL,Decoy,0,-8.13713,-6.48,-2.4,-7.176719063740271
CCOC(=O)[C@H]1[C@H](C)[C@H](C(=O)OCC)S[C@@H]1NC(=O)CSc1nnc2nc([O-])cc(CC)n12,C39732204_decoy,ITAL,Decoy,0,-7.53776,-6.49,-3.48,-8.072921326041374
C=CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2CCOCCO)cc1,C40076924_decoy,ITAL,Decoy,0,-8.30398,-7.0,-3.68,-8.20915559382696
C=CCOc1cccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2CCOCCO)c1,C40076933_decoy,ITAL,Decoy,0,-8.57691,-7.37,-3.54,-9.30229376608864
CCCCOc1ccccc1[C@H]1C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)=C([O-])C(=O)N1CCO,C40110762_decoy,ITAL,Decoy,0,-8.14788,-7.65,-1.93,-9.50850889545747
CCCC/C=C/CCN1C(=O)[C@H]2[C@@H](c3nccs3)N[C@@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)[O-])[C@@H]2C1=O,C43218337_decoy,ITAL,Decoy,0,-8.16568,-5.61,-1.86,-6.322800062919221
CC(=O)Oc1ccc([C@H]2N[C@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)[O-])[C@@H]3C(=O)N(C(C)(C)C)C(=O)[C@@H]23)cc1,C33870579_decoy,ITAL,Decoy,0,-6.39899,-4.49,-2.28,-4.72535735368148
COC(=O)c1ccc([C@@H]2N[C@@](Cc3ccc(O)cc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@H]32)cc1,C33869224_decoy,ITAL,Decoy,0,-8.48619,-4.64,,99.0
C#C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](C(=O)NCC(=O)[O-])C(C)C)CC[C@@]4(C)[C@H]3CC[C@]21C,C43740667_decoy,ITAL,Decoy,0,-8.74039,-6.76,-3.41,-6.854963194536116
CC[C@H](C)/C=C(C)/C=C/C1=CC2=C(Cl)C(=O)[C@@](C)(OC(C)=O)C(=O)C2=CN1[C@@H](CCC(=O)[O-])C(N)=O,C49181429_decoy,ITAL,Decoy,0,-7.44634,-6.19,-3.72,-6.33826216896249
CC(=O)Nc1ccc(/N=C2\C(=O)N(c3ccc(NC(C)=O)cc3)[C@H](c3ccccc3)[C@H]2CC(=O)[O-])cc1,C51129947_decoy,ITAL,Decoy,0,-7.97336,-4.55,-2.54,-5.732738644843655
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCN3C(=O)[C@H]4CC[C@@](C)(C3=O)C4(C)C)cc2)c1C,C54647727_decoy,ITAL,Decoy,0,-6.71352,-8.46,-2.54,-6.425619769268259
CCOC(=O)C1=C(S(=O)(=O)[N-]c2ccc(OC)c(NS(=O)(=O)c3ccc(F)cc3)c2)N=NC1,C39933382_decoy,ITAL,Decoy,0,-6.4511,-8.15,-1.63,-7.066832816264941
CCOC(=O)C1=C(C)[C@H](C(C)=O)S[C@@H]1NC(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)[n-]1,C39975255_decoy1,ITAL,Decoy,0,-8.04038,-7.19,,-10.969141878929792
CCOC(=O)C1=C(C)[C@@H](C(C)=O)S[C@@H]1NC(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)[n-]1,C39975255_decoy2,ITAL,Decoy,0,-8.36784,-7.24,,-9.35025466241592
CCOC(=O)C1=C(C)[C@H](C(C)=O)S[C@H]1NC(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)[n-]1,C39975257_decoy,ITAL,Decoy,0,-8.60502,-7.55,-3.17,-7.801024626964533
CCOC(=O)C1=C(C)[C@@H](C(C)=O)S[C@H]1NC(=O)CSc1nnc(-c2cc(OC)cc(OC)c2)[n-]1,C39975258_decoy,ITAL,Decoy,0,-9.04371,-6.87,-3.34,-8.241524043045668
CCCOc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccnc3OC)cc2)c1,C66200610_decoy,ITAL,Decoy,0,-6.52407,-6.41,-3.85,-5.720056538880509
CC[C@H](C)Oc1cccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3nccnc3OC)cc2)c1,C66200621_decoy,ITAL,Decoy,0,-8.12805,-6.4,-3.03,-6.651589360077767
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3cccc(OCC(C)C)c3)cc2)ncn1,C66200687_decoy,ITAL,Decoy,0,-8.14048,-7.67,-2.61,-7.1350083249863685
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CCC(=O)[O-])C3=O)c(NC[C@H](O)c3ccccc3)nc12,C01885434_decoy,ITAL,Decoy,0,-8.55801,-9.1,-3.16,-10.458545166544344
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)[C@H]2SC1,C08715743_decoy,ITAL,Decoy,0,-6.74064,-6.49,-4.43,-6.69706984886583
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)Cn3nc(C(F)F)c(Cl)c3C3CC3)[C@H]2SC1,C08715746_decoy,ITAL,Decoy,0,-7.89778,-7.04,-2.08,-9.0842069684706
CCc1ccc(OCc2ccc(C(=O)N[C@H]3C(=O)N4C(C(=O)[O-])=C(COC(C)=O)CS[C@@H]34)o2)cc1,C08927981_decoy,ITAL,Decoy,0,-7.02473,-6.03,-3.73,-5.164072248609179
CCn1cc(Cl)c(C(=O)N[C@@H]2C(=O)N3C(C(=O)[O-])=C(CSc4nnc(C)s4)CS[C@H]23)n1,C02747825_decoy,ITAL,Decoy,0,-8.48542,-4.03,-1.84,-4.587636113454093
CC(C)[C@H](NC(=O)CNC(=O)CO/N=C1\C=C2CC[C@@H]3[C@@H](CC[C@]4(C)[C@H](O)CC[C@@H]34)[C@@]2(C)CC1)C(=O)[O-],C12659519_decoy,ITAL,Decoy,0,-7.18117,-5.17,-3.09,-5.267222341591621
CCCC[C@H](NC(=O)[C@H](C)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-],C15957545_decoy,ITAL,Decoy,0,-8.33575,-7.49,-2.92,-7.883958245524918
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)[C@H](C)n4ncc(Cl)c4C)[C@@H]3SC2)s1,C16210581_decoy,ITAL,Decoy,0,-8.34145,-6.75,-3.1,-7.061152348848665
COc1cc(/C=C2/SC(=S)N(NC(=O)c3ccc([N+](=O)[O-])cc3)C2=O)ccc1OCCC(=O)[O-],C16912049_decoy,ITAL,Decoy,0,-7.52289,-5.13,-2.64,-5.282408626025276
COc1cc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)ccc1O[C@@H](C)C(=O)[O-],C16914003_decoy,ITAL,Decoy,0,-7.64036,-6.73,-1.65,-8.734333755209512
CCOc1cc(/C=C2/SC(=S)N(c3ccc(NC(C)=O)cc3)C2=O)ccc1O[C@@H](CC)C(=O)[O-],C16918401_decoy,ITAL,Decoy,0,-7.54666,-7.33,-2.02,-10.46858608838581
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ncnn2[C@H]3c2ccc(OCC(=O)[O-])cc2)cc(OC)c1OC,C18198099_decoy,ITAL,Decoy,0,-8.46064,-4.22,,99.0
N#C/C(C(=O)c1ccc([N+](=O)[O-])cc1)=C(/[O-])NN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O,C20068901_decoy,ITAL,Decoy,0,-6.9812,-9.24,-3.26,-8.42253321409344
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)c4nn(C)c(C)c4Cl)[C@@H]3SC2)s1,C20602285_decoy,ITAL,Decoy,0,-9.08533,-6.68,-2.43,-8.47320964952558
CO/N=C(/C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(/C=C\c3scnc3C)CS[C@H]12)c1csc(N)n1,C22054181_decoy,ITAL,Decoy,0,-8.06489,-4.13,-2.56,-5.981027883734683
N/C([O-])=N/S(=O)(=O)c1ccc(NC(=O)CCN2C(=O)/C(=C\c3ccc(F)cc3)SC2=S)cc1,C22341596_decoy,ITAL,Decoy,0,-7.55057,-6.52,-1.46,-6.036381583703818
CCNc1ccc(/C(=C2\C=C/C(=[NH+]/CC)C(C)=C2)c2ccc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-])cc1C,C20230453_decoy,ITAL,Decoy,0,-8.14084,-4.48,-3.21,-5.756959705964271
COc1ccc(NC(=O)Cn2c(=O)n(CC(=O)N3CCCC3)c(=O)c3c(C)c(C(=O)[O-])sc32)cc1,C34779247_decoy,ITAL,Decoy,0,-7.82128,-5.99,-3.0,-7.149964550650621
CC1=C[C@@H]2/C=C(\C)CC[C@H](O)C(=O)[C@H](SC[C@H](O)C(=O)[O-])CC(=O)[C@]23C(=O)N[C@@H](CC(C)C)[C@@H]3[C@@H]1C,C35457400_decoy,ITAL,Decoy,0,-8.71564,-5.51,-1.84,-5.972699164969625
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@@H](NC(=O)[C@H](C)Cn3nc(C)c(Br)c3C)[C@H]2SC1,C35678176_decoy,ITAL,Decoy,0,-7.60598,-6.1,-3.21,-6.0877932383577935
CC(=O)OC[C@]12[C@@H]3[C@@H](CC[C@@]1(O)C[C@@H](OC(C)=O)C[C@@H]2O)[C@@]1(O)CC[C@H](C(=O)[O-])[C@]1(C)C[C@H]3OC(C)=O,C36372216_decoy,ITAL,Decoy,0,-8.29746,-4.76,-2.3,-5.938909988695077
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@@H](NC(=O)Cn4ncc(Cl)c4C)[C@H]3SC2)s1,C02732737_decoy,ITAL,Decoy,0,-7.40316,-6.3,-4.45,-6.545594149483568
O=S(=O)(NCC[C@@H]1NN[C@@H](S(=O)(=O)Cc2cccc(Cl)c2)O1)c1ccc2nc([O-])oc2c1,C38794302_decoy,ITAL,Decoy,0,-8.83378,-6.42,-2.8,-5.543210783024658
CC(C)[C@H](NS(=O)(=O)c1ccc2nc([O-])oc2c1)[C@@H]1NN[C@H](S(=O)(=O)Cc2ccccc2F)O1,C38794608_decoy,ITAL,Decoy,0,-9.14197,-8.39,-4.14,-10.270590228944087
CC(C)[C@H](NS(=O)(=O)c1ccc2nc([O-])oc2c1)[C@H]1NN[C@H](S(=O)(=O)Cc2ccccc2F)O1,C38794611_decoy,ITAL,Decoy,0,-8.57889,-8.31,-2.41,-8.679121029835636
C=CCn1c([S-])nnc1CC1=N[C@H](NC(=O)CCC2=NC(=O)C3=C4CCC[C@@H]4SC3=N2)SC1,C38798828_decoy,ITAL,Decoy,0,-10.146,-8.52,-1.9,-8.640554839448333
[H]/N=C1/N(c2ccc(/N=N/c3ccc(S(=O)(=O)[O-])cc3)c(O)c2)N(Cc2ccc(C)cc2)C(C)(C)N1O,C39775255_decoy,ITAL,Decoy,0,-8.35629,-5.15,-2.41,-5.44104779129728
NS(=O)(=O)c1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1,C40567609_decoy,ITAL,Decoy,0,-8.56814,-5.4,-2.29,-5.769795552207116
Cc1oc2ncn(Cc3ccco3)c(=O)c2c1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1,C41024312_decoy,ITAL,Decoy,0,-7.76654,-5.23,-3.74,-5.072958973428194
COC(=O)c1ccc([C@@H]2N[C@](Cc3ccccc3)(C(=O)[O-])[C@@H]3C(=O)N(CCNc4ccccc4)C(=O)[C@H]32)cc1,C33899441_decoy,ITAL,Decoy,0,-6.81335,-7.38,-3.21,-6.99489258465456
CCCCN1C(=O)[C@H]2[C@@H](c3ccc(OC)c(C)c3OC)N[C@@](Cc3ccc([N+](=O)[O-])cc3)(C(=O)[O-])[C@@H]2C1=O,C33860915_decoy,ITAL,Decoy,0,-8.27233,-8.04,-3.16,-8.384455124100535
CC(=O)Oc1ccc([C@H]2N[C@@](Cc3ccc(O)cc3)(C(=O)[O-])[C@@H]3C(=O)N(c4ccccc4C)C(=O)[C@@H]23)cc1,C33594002_decoy,ITAL,Decoy,0,-7.81062,-6.05,-3.58,-6.451281934956058
CCc1cccc(CC)c1N1C(=O)[C@H]2[C@@H](c3ccc(OC)c(C)c3OC)[NH2+][C@@](CC(=O)[O-])(C(=O)[O-])[C@@H]2C1=O,C33929038_decoy,ITAL,Decoy,0,-6.96357,-7.76,-1.36,-9.081615137969616
C[C@@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@]2(C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-],C43743659_decoy,ITAL,Decoy,0,-6.45208,-7.65,-2.88,-6.407334347326851
CCS(=O)(=O)N1C[C@@H](C(=O)Nc2ccc(S(=O)(=O)[N-]c3ncccn3)cc2)Oc2ccccc21,C44885844_decoy,ITAL,Decoy,0,-7.97509,-8.18,-4.37,-7.152405183510253
COc1cccc(N(CC(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(C)(=O)=O)c1,C44904345_decoy,ITAL,Decoy,0,-8.69996,-7.57,-3.14,-7.36176443058019
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@H]3CC[C@](O)(C(=O)COC(=O)CCC(=O)NCC(=O)[O-])[C@@]3(C)CC(=O)[C@@H]12,C49942549_decoy,ITAL,Decoy,0,-8.10569,-8.39,-1.78,-8.791739111155882
C[C@]12CCC(=O)C=C1CC[C@H]1[C@H]2C(=O)C[C@@]2(C)[C@@H]1CC[C@]2(O)C(=O)COC(=O)CCC(=O)NCC(=O)[O-],C49942551_decoy,ITAL,Decoy,0,-7.66145,-7.78,-1.62,-7.286569508461617
N#C/C(=C\Nc1ccc(S(=O)(=O)/N=C(/N)[O-])cc1)c1nc(-c2ccc(Br)cc2)cs1,C02204051_decoy,ITAL,Decoy,0,-8.1019,-7.14,-2.96,-5.945157382797572
COc1ccc(CCN2C(=O)NC([O-])=C3C2=NC(=O)[C@@]3(NC(=O)c2ccc(C)cc2)C(F)(F)F)cc1OC,C01846174_decoy,ITAL,Decoy,0,-7.46968,-7.35,-2.38,-7.292260113257307
CCOc1ccc([C@@H](O)CCC(=O)NN/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2[O-])cc1,C58893169_decoy,ITAL,Decoy,0,-8.25888,-6.52,-1.94,-7.797049742867572
CC(C)CC[C@]1(C)CN(C2CCC2)C(=O)[C@@H](C2=NS(=O)(=O)c3cc([N-]S(C)(=O)=O)ccc3N2)C1=O,C45253576_decoy,ITAL,Decoy,0,-9.4264,-6.64,-2.62,-7.193288402385389
CC(=O)Nc1ccc(S(=O)(=O)[N-]/N=C2/C(=O)N(CC(=O)Nc3ccc(C)cc3)c3ccccc32)cc1,C59166331_decoy,ITAL,Decoy,0,-7.31971,-7.55,-4.22,-7.947053523296774
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(/C)Nc1ccc(S(=O)(=O)[N-]c2nccc(C)n2)cc1,C20287662_decoy,ITAL,Decoy,0,-8.95645,-8.09,-3.6,-9.100920567717589
COC(=O)c1ccc(I)cc1S(=O)(=O)/N=C(\[O-])Nc1nc(C)nc(OC)n1,C02526773_decoy,ITAL,Decoy,0,-8.43594,-7.28,-1.4,-12.003621846627144
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N[C@@H]2[C@@H]1C(=O)N=C([O-])N2Cc1ccc(F)cc1,C39409790_decoy,ITAL,Decoy,0,-8.02709,-5.98,-2.35,-5.641231740501718
O=C(Cn1c2c(sc1=O)[C@@H](c1ccc(O)cc1)[C@H]1C([O-])=NC(=O)[C@H]1S2)Nc1ccc(Cl)cc1,C39884111_decoy,ITAL,Decoy,0,-8.8254,-5.4,-1.6,-5.509879786775275
CCOc1cc([C@@H]2c3sc(=O)n(CC(=O)N4CCCCC4)c3S[C@H]3C(=O)N=C([O-])[C@H]23)ccc1O,C39884141_decoy,ITAL,Decoy,0,-9.27845,-6.33,-1.43,-8.638358095594096
COc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H](c2ccc(OC)cc2)[C@@H]2C([O-])=NC(=O)[C@@H]2S3)cc1,C39884162_decoy1,ITAL,Decoy,0,-8.678,-8.06,,-9.366412189269358
COC(=O)c1ccc(C(=O)NC(=S)Nc2ccc(S(=O)(=O)[N-]c3cc(OC)ncn3)cc2)cc1,C66200697_decoy,ITAL,Decoy,0,-6.43532,-5.72,-3.23,-5.9510282850110405
CC(C)(C)OC(=O)N[C@@]1(C(=O)[O-])Cc2ccc(NC(=O)OCC3c4ccccc4-c4ccccc43)cc2C1,C02570111_decoy,ITAL,Decoy,0,-7.83624,-8.95,-3.65,-6.583248520223089
O=C1/C(=C2/C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC(=S)N1CCS(=O)(=O)[O-],C01829343_decoy,ITAL,Decoy,0,-8.71948,-4.19,-2.11,-4.928736688521656
COc1ccc(NS(=O)(=O)c2ccc(NCc3cc([N+](=O)[O-])cc(Br)c3[O-])cc2)nn1,C03013735_decoy,ITAL,Decoy,0,-7.23783,-7.21,-1.91,-8.30546889927336
C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@H]2[C@@]3(O)CC[C@H]4C[C@H](O)CC[C@]4(C)[C@@H]3C[C@H](O)[C@]12C,C08385333_decoy,ITAL,Decoy,0,-9.53816,-6.41,-2.54,-8.739610837772338
CCOc1ccc(N2C(=O)NC(=O)/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C2=O)cc1,C09310771_decoy,ITAL,Decoy,0,-7.68709,-6.71,-2.4,-5.85098137580166
CCOc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)c1,C09470675_decoy,ITAL,Decoy,0,-8.62646,-7.0,-3.93,-7.188702173143217
COc1cc(/C=N/NC(=O)[C@@H](NC(=O)c2ccc(C)cc2)C(C)C)cc(Br)c1OCC(=O)[O-],C10042326_decoy,ITAL,Decoy,0,-8.2454,-7.62,-3.24,-8.094649795912476
CO/N=C(\C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3cnns3)CS[C@@H]12)c1csc(N)n1,C11616470_decoy,ITAL,Decoy,0,-8.74372,-6.1,-2.22,-6.91266292976148
CO/N=C(\C(=O)N[C@@H]1C(=O)N2C(C(=O)[O-])=C(CSc3cnns3)CS[C@@H]12)c1csc(N)n1,C11616472_decoy,ITAL,Decoy,0,-7.84019,-5.54,-1.98,-8.374681301807804
CCOc1cc(/C=C2\SC(=S)N(CCS(=O)(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1,C12274899_decoy,ITAL,Decoy,0,-8.96127,-6.92,-2.72,-9.67796080528064
CC(=O)[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C,C12296534_decoy,ITAL,Decoy,0,-6.57255,-5.98,-2.7,-6.898354517141715
CC(=O)[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C,C12296535_decoy,ITAL,Decoy,0,-7.09613,-4.15,-2.3,-5.391593128144602
CCOc1ccc([C@H]2NC(=O)N[C@@H](c3ccc(OCC)c(OC)c3)C23C(=O)NC(=O)N=C3[O-])cc1OC,C09941888_decoy,ITAL,Decoy,0,-7.22722,-4.63,-2.36,-5.795433083397105
Cc1ccc(NC(=O)C[C@H]2SC(N[C@@H](c3cccc(Cl)c3)c3c([O-])[nH]c(=O)[nH]c3=O)=NC2=O)cc1,C20135332_decoy,ITAL,Decoy,0,-9.28637,-8.72,-2.41,-11.11403848222144
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2cc(OC)c(OC)c(OC)c2)cc1,C13551453_decoy,ITAL,Decoy,0,-7.17577,-4.85,-1.47,-4.9584494786625175
CCc1ccc(NC(=O)C[C@@H]2SC(N[C@@H](c3ccc(F)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)=NC2=O)cc1,C20559526_decoy,ITAL,Decoy,0,-8.19006,-8.67,-5.02,-9.571250538168036
COc1ccc([C@@H](NC2=NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1,C20559667_decoy,ITAL,Decoy,0,-8.43746,-8.28,-2.59,-9.704903155170532
Cc1cccc(-n2ncc3c([O-])nc(-n4nc(C)cc4NC(=O)[C@@H]4CC(=O)N(c5ccccc5C)C4)nc32)c1,C21111115_decoy,ITAL,Decoy,0,-7.82318,-6.22,-3.72,-5.664165972843855
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=N[C@@H]2O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@H]1O,C22060937_decoy,ITAL,Decoy,0,-6.63729,-5.18,-2.79,-4.5322949012248746
Cc1ncc2n1-c1ccc(Cl)cc1C(c1ccccc1F)=N[C@H]2O[C@H]1O[C@@H](C(=O)[O-])[C@H](O)[C@@H](O)[C@H]1O,C22060940_decoy,ITAL,Decoy,0,-8.09163,-5.47,-1.5,-5.319919492817207
COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1O[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)OC2,C22063372_decoy,ITAL,Decoy,0,-5.62722,-4.99,-2.56,-4.780956865217527
COc1ccc([N+](=O)[O-])cc1[N-]S(=O)(=O)c1ccc(Cl)c(C(=O)OCC(=O)NC2CCCC2)c1,C25389101_decoy,ITAL,Decoy,0,-8.56372,-7.4,-4.58,-7.708063760151521
CCOc1cc(/C=C2/SC(=S)N(CCS(=O)(=O)[O-])C2=O)ccc1OCc1ccc(Cl)cc1,C27533502_decoy,ITAL,Decoy,0,-8.65532,-6.11,-2.22,-9.687964921903651
CCCOc1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2nnc(C)s2)cc1OCC,C33764477_decoy,ITAL,Decoy,0,-9.74198,-8.14,-3.17,-9.36925013572943
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C,C35565751_decoy,ITAL,Decoy,0,-8.54644,-4.62,-2.37,-5.791913110663377
C=CCOc1ccccc1[C@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1c1nc(C)c(C(C)=O)s1,C35566112_decoy,ITAL,Decoy,0,-8.6109,-7.35,,99.0
COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@@H]1O)C(=O)OC2,C35645255_decoy,ITAL,Decoy,0,-5.40118,-5.36,-4.25,-5.324017766947005
Cc1ccc([C@@H](C(=O)NCS(=O)(=O)c2ccc(C)cc2)N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1,C36530302_decoy,ITAL,Decoy,0,-5.72454,-9.14,-3.01,-7.450036476578148
C#C[C@@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@H](CCC(N)=O)C(=O)[O-])CC[C@]4(C)[C@H]3CC[C@@]21C,C09033432_decoy,ITAL,Decoy,0,-8.86406,-7.01,-1.96,-8.561183843733646
COc1ccc(Br)c(C(=O)NNC(=O)c2ccc([N-]S(=O)(=O)c3cccs3)cc2)c1,C12520878_decoy,ITAL,Decoy,0,-8.3822,-7.23,-1.71,-8.848459382748617
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nnc4c(n3)[nH]c3ccccc34)cc2)c1C,C06767580_decoy,ITAL,Decoy,0,-6.90104,-8.16,-4.19,-6.338350110095606
COCCn1c([O-])c(C(=O)CCN2C(=O)/C(=C/c3ccc(OC)cc3)SC2=S)c(C)c(C#N)c1=O,C38620616_decoy,ITAL,Decoy,0,-7.70402,-6.61,-3.81,-5.868071757915347
Cc1ccc(N(C)C)c([C@H](c2c([O-])[nH]c(=S)n(C(C)C)c2=O)[C@H]2C(=O)NC(=S)N(C(C)C)[C@H]2O)c1,C38760034_decoy,ITAL,Decoy,0,-7.96736,-6.69,-4.17,-8.272973440238303
CO/N=C(/C(=O)N[C@H]1C(=O)N2C(C(=O)[O-])=C(CSc3cnns3)CS[C@H]12)c1csc(N)n1,C38811312_decoy,ITAL,Decoy,0,-8.34054,-4.73,-1.23,-5.915757485067868
COC(=O)c1cc(C)nc2c1C(=O)N[C@H](SCc1cc([O-])nc3c(C#N)cnn13)N2C[C@@H]1CCCO1,C39248049_decoy,ITAL,Decoy,0,-9.42399,-7.61,-2.72,-7.654746861738634
COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1O[C@@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O)C(=O)OC2,C39937261_decoy,ITAL,Decoy,0,-5.80223,-5.02,-2.07,-4.7705058231507325
CCCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CCN2CCOCC2)cc1,C40003785_decoy,ITAL,Decoy,0,-8.75872,-7.26,-4.12,-8.010344512734594
Cc1cc(OC(C)C)ccc1C(=O)C1=C([O-])C(=O)N(CCOCCO)[C@H]1c1cccc(Br)c1,C40084194_decoy,ITAL,Decoy,0,-9.52211,-6.8,-3.68,-8.105752767969646
CCN(CC)C(=O)COc1ccc(/C=C2/SC(=S)N([C@H](C(=O)[O-])c3ccccc3)C2=O)cc1OC,C40936256_decoy,ITAL,Decoy,0,-7.17697,-7.46,-2.3,-8.482619020593477
CC(=O)[C@]1(O)CC[C@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC[C@@]4(C)[C@H]3CC[C@]21C,C43746903_decoy,ITAL,Decoy,0,-8.60296,-6.0,-2.75,-6.624083508267365
Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)CSc3nc([O-])cc(-c4ccccc4)n3)cc2)n1,C18254495_decoy,ITAL,Decoy,0,-8.9976,-8.58,-2.0,-8.332017541596574
COCCN1C(=O)N=C([O-])/C(=C/c2ccc3c(c2)CC2(C(=O)N(C)C(=O)N(C)C2=O)[C@@H]2CCCN32)C1=O,C09122754_decoy,ITAL,Decoy,0,-7.52239,-4.85,-2.08,-5.227010818271446
COc1cc([N-]S(=O)(=O)c2ccc(N/C=C3\C(=O)N(c4ccc(C)c(C)c4)N=C3C)cc2)nc(OC)n1,C08575655_decoy,ITAL,Decoy,0,-8.46317,-7.38,-2.83,-6.501558604491215
N#C/C(=C\Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1nc(-c2ccc([N+](=O)[O-])cc2)cs1,C09638647_decoy,ITAL,Decoy,0,-7.8774,-6.39,-2.45,-6.639735312171942
CCOC(=O)c1ccc(/N=C2\S[C@@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC(=O)N2CC(=O)OC)cc1,C58945520_decoy,ITAL,Decoy,0,-8.01343,-6.83,-3.55,-7.265899782423882
CCOC(=O)c1ccc(/N=C2\S[C@H](C(=O)Nc3cccc(C(=O)[O-])c3)CC(=O)N2CC(=O)OC)cc1,C58945521_decoy,ITAL,Decoy,0,-7.64406,-6.76,,99.0
COC(=O)CC1=NN(c2ccccc2)C(=O)/C1=C(\C)Nc1ccc(S(=O)(=O)[N-]c2onc(C)c2C)cc1,C20287665_decoy,ITAL,Decoy,0,-7.52746,-8.8,-2.47,-9.039787591093654
CCN(C(C)=O)c1nc(/C=N/c2ccc(C(=O)[O-])cc2/N=C/c2csc(N(CC)C(C)=O)n2)cs1,C62587511_decoy,ITAL,Decoy,0,-7.43581,-5.81,-2.64,-5.589329937036343
CCCCCc1cc(O)c2c(c1)OC(C)(C)[C@@H]1CCC(C(=O)O[C@@H]3O[C@@H](C(=O)[O-])[C@@H](O)[C@@H](O)[C@H]3O)=C[C@@H]21,C65748799_decoy,ITAL,Decoy,0,-7.74132,-7.17,-2.44,-6.6576044607521006
COc1cc([N-]S(=O)(=O)c2ccc(NC(=S)NC(=O)c3ccc(-c4ccccc4)cc3)cc2)ncn1,C66200633_decoy,ITAL,Decoy,0,-8.54742,-7.77,-2.89,-7.2741537407909345
CCN1C(=O)/C(=C/C=C2/Sc3ccc(-c4ccccc4)cc3N2CCCS(=O)(=O)[O-])SC1=S,C18173697_decoy,ITAL,Decoy,0,-9.4099,-5.13,-3.0,-5.844122633638501
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc([N+](=O)[O-])cc4)c(OC)c3)C([O-])=NC2=S)cc1,C09934522_decoy,ITAL,Decoy,0,-7.7781,-5.72,-3.17,-5.181896416850652
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C,C09329346_decoy,ITAL,Decoy,0,-7.7379,-5.5,-2.21,-7.1199118996154285
CSc1cccc(NC(=O)C[C@H]2SC(N[C@@H](c3cccs3)c3c([O-])[nH]c(=O)[nH]c3=O)=NC2=O)c1,C20135857_decoy,ITAL,Decoy,0,-8.06855,-7.39,-1.61,-10.765834962522382
Cc1ccc([C@@H](NC2=NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)S2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1,C20559488_decoy,ITAL,Decoy,0,-8.76169,-9.46,-1.58,-12.519544689435143
Cc1ccc([C@H](NC2=NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3C)S2)c2c([O-])[nH]c(=O)[nH]c2=O)cc1,C20559490_decoy,ITAL,Decoy,0,-8.70191,-9.62,,99.0
Cc1ccc(NC(=O)C[C@H]2SC(N[C@H](c3ccc(Cl)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)=NC2=O)cc1,C20559508_decoy,ITAL,Decoy,0,-9.29089,-9.76,-3.7,-10.439949828684156
CCc1ccc(NC(=O)C[C@H]2SC(N[C@H](c3ccc(F)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)=NC2=O)cc1,C20559532_decoy,ITAL,Decoy,0,-8.49799,-9.38,-1.99,-11.286136066522364
Cc1cccc(NC(=O)C[C@H]2SC(N[C@@H](c3ccc(F)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)=NC2=O)c1C,C20559545_decoy,ITAL,Decoy,0,-8.84126,-9.08,-4.05,-8.963837802563134
Cc1ccc(NC(=O)C[C@H]2SC(N[C@H](c3ccc(F)cc3)c3c([O-])[nH]c(=O)[nH]c3=O)=NC2=O)cc1C,C20559568_decoy,ITAL,Decoy,0,-8.6246,-9.61,-4.34,-8.637892394342307
COC(=O)CC/C(C)=C/Cc1c(OC)c(C)c2c(c1O[C@H]1O[C@@H](C(=O)[O-])[C@@H](O)[C@H](O)[C@@H]1O)C(=O)OC2,C22063375_decoy,ITAL,Decoy,0,-5.41085,-7.31,-2.47,-6.77103465623775
CC(=O)OC[C@H]1O[C@@H](n2cnc3c(Sc4ccc(C)cc4)nc([O-])nc32)[C@H](OC(C)=O)[C@H]1OC(C)=O,C22063624_decoy,ITAL,Decoy,0,-8.23217,-6.78,-2.74,-8.893253995382734
O=C(N/N=C(/c1nc2ccc([N+](=O)[O-])cc2nc1[O-])[C@@H](O)c1ccc(Cl)c(Cl)c1)c1ccncc1,C05317267_decoy,ITAL,Decoy,0,-9.75775,-8.34,-2.32,-9.53175772593016
COCCOC(=O)c1c(C)oc2c1cc([N-]S(=O)(=O)c1ccc(OC)c([N+](=O)[O-])c1)c1ccccc12,C26510269_decoy,ITAL,Decoy,0,-6.02382,-5.18,-3.08,-4.806478892727776
COc1cc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3O)cc2)nc(OC)n1,C28467382_decoy,ITAL,Decoy,0,-8.51215,-7.38,-2.9,-7.186288311258495
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3cccc(OCC)c3)[C@H]2c2cccc(O)c2)nc1C,C33368093_decoy,ITAL,Decoy,0,-9.45618,-8.24,-2.55,-9.220195417551253
C=CCOc1ccc([C@@H]2C(C(=O)c3ccco3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC,C33529050_decoy,ITAL,Decoy,0,-8.05297,-6.4,-3.38,-7.306235130562593
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)cc1OCC,C33554735_decoy,ITAL,Decoy,0,-8.35536,-6.98,-3.95,-10.249200248141037
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2cccc([N+](=O)[O-])c2)nc1C,C33581227_decoy,ITAL,Decoy,0,-8.90437,-7.07,-3.62,-7.558889144337424
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccncc3)[C@H]2c2ccc([N+](=O)[O-])cc2)nc1C,C33587884_decoy,ITAL,Decoy,0,-9.33663,-7.66,-1.84,-8.87065646092954
CCCCOc1ccc([C@@H]2C(C(=O)c3ccncc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1,C33769917_decoy,ITAL,Decoy,0,-8.50975,-4.76,-3.07,-5.839653635554946
O=C(CCc1nnc(-c2ccc(OCC3CCC3)cc2)nc1[O-])N1CCN(CC(=O)N2CCCC2)CC1,C34764067_decoy,ITAL,Decoy,0,-7.76623,-6.6,-3.62,-7.461333170573556
CCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1c1nc(C)c(C(=O)OC)s1,C35565783_decoy,ITAL,Decoy,0,-8.97133,-5.81,-2.78,-6.7275479704447685
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@@H]2/C=C/c2ccccc2)nc1C,C35565852_decoy,ITAL,Decoy,0,-9.82522,-8.65,,99.0
CCCCCOc1ccc([C@@H]2C(C(=O)c3sc(C)nc3C)=C([O-])C(=O)N2c2nccs2)cc1OC,C35565897_decoy,ITAL,Decoy,0,-9.08747,-4.12,-3.83,-5.621827522035626
CCOC(=O)[C@H]1C([O-])=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1OCC,C02309829_decoy,ITAL,Decoy,0,-8.56428,-8.67,-3.09,-8.024971323558121
Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](c2ccc(C)cc2C)N(C)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1,C36530080_decoy,ITAL,Decoy,0,-7.74889,-9.59,-3.14,-9.004076479550099
COc1ccc([C@H](C(=O)NC(C)(C)C)N(Cc2ccc(C)o2)C(=O)c2cc([N+](=O)[O-])ccc2[O-])cc1OC,C36596695_decoy,ITAL,Decoy,0,-7.86844,-7.56,-3.06,-8.09607917814919
COC(=O)c1cc(C)nc2c1c(=O)nc(SCc1cc([O-])nc3c(C#N)cnn13)n2C[C@@H]1CCCO1,C36615172_decoy,ITAL,Decoy,0,-8.74519,-6.84,-3.93,-6.876005922702702
COC(=O)c1cc(C)nc2c1c(=O)nc(SCc1cc([O-])nc3c(C#N)cnn13)n2C[C@H]1CCCO1,C36615173_decoy,ITAL,Decoy,0,-8.46929,-5.06,-1.36,-6.447445142066129
CCCOc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nccs2)cc1OCC,C33813914_decoy,ITAL,Decoy,0,-8.54541,-8.59,-2.41,-8.611017955608439
C=CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nccs2)cc1OCC,C33813916_decoy,ITAL,Decoy,0,-9.90084,-8.48,-4.84,-11.163143763059264
Cc1ncc(CO)c(/C=[NH+]/NC(=O)c2cccc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c2)c1[O-],C13129164_decoy,ITAL,Decoy,0,-8.38749,-9.62,-3.21,-10.409136431616126
CCOCCCn1c([O-])c(C(=O)CCN2C(=O)/C(=C/c3ccc(C)cc3)SC2=S)c(C)c(C#N)c1=O,C38621449_decoy,ITAL,Decoy,0,-7.7684,-6.61,-2.46,-8.224906803106345
[H]/N=C1/[N-]C(SCC(C)=O)=NC(=O)[C@@H]1[C@@H](c1ccc(OC)cc1)c1c(N)[nH]c(SCC(C)=O)nc1=O,C39336720_decoy,ITAL,Decoy,0,-8.31952,-5.42,-2.52,-5.631160888135192
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2cccnc2)nc1C,C39828132_decoy,ITAL,Decoy,0,-8.24627,-5.62,-3.11,-6.1730666851783305
O=C([O-])CCCCCN1C(=O)/C(=C\c2c(Oc3ccc(F)cc3)nc3ccccn3c2=O)SC1=S,C39835683_decoy,ITAL,Decoy,0,-8.90735,-8.49,-1.85,-9.666538637045504
CN1C(=O)[C@@]2(C(C(=O)c3ccc(S(=O)(=O)N(C)C)cc3)=C([O-])C(=O)N2C[C@H]2CCCO2)c2ccccc21,C39837579_decoy,ITAL,Decoy,0,-8.96269,-8.03,-2.03,-10.443867002530194
CCCOc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CCCN2CCOCC2)cc1,C40003760_decoy,ITAL,Decoy,0,-9.53848,-5.71,-3.21,-7.013762031848068
Cc1cc(OC(C)C)ccc1C(=O)C1=C([O-])C(=O)N(CCOCCO)[C@@H]1c1ccc(Br)cc1,C40084205_decoy,ITAL,Decoy,0,-8.59767,-7.99,-3.4,-8.632139914412438
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCOCCO)[C@@H]3c3cccc(Oc4ccccc4)c3)ccc2O1,C40094935_decoy,ITAL,Decoy,0,-9.0461,-7.86,-3.48,-8.33733242218165
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCOCCO)[C@H]3c3cccc(Oc4ccccc4)c3)ccc2O1,C40094940_decoy,ITAL,Decoy,0,-9.02121,-9.14,,99.0
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1,C40098716_decoy,ITAL,Decoy,0,-7.90405,-5.21,-2.23,-5.401332608498725
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)CCCCCN3C(=O)c4ccccc4C3=O)cc2)c1C,C40845441_decoy,ITAL,Decoy,0,-6.42587,-8.97,-3.15,-6.608146265053327
O=C([O-])C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2C(=O)N(Cc3ccc([N+](=O)[O-])o3)C(=O)[C@H]21,C43218381_decoy,ITAL,Decoy,0,-6.31025,-6.3,-3.81,-5.176793991439668
CC(=O)[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N/OCC(=O)N[C@@H](CCC(N)=O)C(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@]21C,C43746902_decoy,ITAL,Decoy,0,-8.40099,-6.69,-2.17,-7.607813147297563
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)CN3CCN(c4ccc(C(C)C)cc4)C3=O)cc2)n1,C49404010_decoy,ITAL,Decoy,0,-7.72075,-6.83,-4.59,-6.347791954374861
CCOc1ccc([C@H](O)CCC(=O)N/N=C\c2cc(I)c([O-])c([N+](=O)[O-])c2)cc1,C58892637_decoy,ITAL,Decoy,0,-8.18853,-7.79,-1.41,-8.051555478788867
CC(=O)O[C@H]1C[C@@H](OC(C)=O)C(C)(C)[C@H]2CC(=O)[C@]3(C)[C@H](CC[C@@]4(C)[C@H](C(=O)[O-])OC(=O)[C@H]5O[C@]543)[C@@]12C,C61389442_decoy,ITAL,Decoy,0,-8.05088,-4.56,-1.84,-5.3045282193989385
Cc1ccccc1S(=O)(=O)/N=C(\Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccccc1,C12600858_decoy,ITAL,Decoy,0,-8.50371,-9.21,-2.61,-10.138032784099725
Cc1ccc(/C=C(\Oc2cccc(C)c2)c2nc3ccccc3s2)cc1,C03849569_decoy,ITAL,Decoy,0,-9.09346,-9.83,,99.0
Fc1ccc(Oc2nc3ccccc3cc2-c2cccc(C(F)(F)F)c2)cc1,C03050346_decoy,ITAL,Decoy,0,-8.6322,-11.22,-2.4,-9.192016340375202
Cc1ccc(-c2csc(/C(C#N)=C/c3cccc4ccccc34)n2)c(C)c1,C04010011_decoy,ITAL,Decoy,0,-8.51955,-9.63,-1.76,-7.943696585202709
C[C@H]1[C@H]([C@]2(C)CC[C@@H]3[C@@H](O2)c2ccccc2OC3(C)C)C1(Cl)Cl,C04027053_decoy,ITAL,Decoy,0,-8.14138,-7.46,-2.55,-6.322977277609094
Cc1cc(C)c(SC(Sc2c(C)cc(C)cc2C)=S=O)c(C)c1,C02077463_decoy,ITAL,Decoy,0,-8.46254,-8.23,-1.44,-11.723927827983909
c1ccc2sc(-c3ccc(-c4nc5ccccc5s4)s3)nc2c1,C04174185_decoy,ITAL,Decoy,0,-8.2867,-4.48,,99.0
Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4CC[C@@H]32)cc1,C04343821_decoy,ITAL,Decoy,0,-8.82545,-6.12,-1.34,-4.826064417374831
Cc1ccc([C@H]2Sc3ccccc3N=C3c4ccccc4SC[C@@H]32)cc1,C04343871_decoy,ITAL,Decoy,0,-9.43664,-5.55,-1.31,-5.285453534204515
FC(F)(F)c1ccc([C@@H]2Sc3ccccc3N=C3c4ccccc4OC[C@@H]32)cc1,C04389102_decoy,ITAL,Decoy,0,-9.71709,-9.82,-3.93,-10.078474189409192
c1ccc(C2(c3ccccc3)O[C@@H](c3cccs3)Oc3ccccc32)cc1,C04414426_decoy,ITAL,Decoy,0,-7.95015,-4.89,-1.62,-4.949085920831897
Fc1ccc(Cn2c(Cc3cccc4ccccc34)nc3ccccc32)cc1,C02695669_decoy,ITAL,Decoy,0,-7.71494,-10.59,-2.25,-9.392467394961416
N#CC1=C(Oc2ccccc2)C(c2ccccc2)(c2ccccc2)CCC1,C01564883_decoy,ITAL,Decoy,0,-6.53349,-4.63,,99.0
Cc1sc2ncnc(SCc3c(Cl)ccc(Cl)c3Cl)c2c1C,C01942365_decoy,ITAL,Decoy,0,-8.43228,-7.43,-2.22,-7.522801714833225
CC1=C(c2ccccc2)CC(c2ccccc2)=NN=C1c1ccc(F)cc1,C05523243_decoy,ITAL,Decoy,0,-7.99923,-11.21,-1.41,-9.77467798297022
FC(F)(F)C(F)(F)C(F)(F)c1nc2ccccc2nc1-c1ccccc1,C03177000_decoy,ITAL,Decoy,0,-6.63517,-9.83,-1.88,-8.21173351468477
Cc1ccc2c(c1)-c1nc(SCc3ccc(C(C)(C)C)cc3)ncc1CS2,C05747429_decoy,ITAL,Decoy,0,-10.21,-8.89,-2.92,-7.684304684282893
Cc1cccc(C=C(c2nc3ccccc3s2)c2nc3ccccc3s2)c1,C07238970_decoy,ITAL,Decoy,0,-9.8436,-8.09,-1.04,-9.13662371898762
Cc1ccc2c(c1)CCCN2C(c1ccc(F)cc1)c1ccc(F)cc1,C08232853_decoy,ITAL,Decoy,0,-8.94484,-10.64,-0.54,-10.416191242802508
CCN1/C(=C/C(=S)c2ccccc2)Sc2ccc3ccccc3c21,C04508546_decoy,ITAL,Decoy,0,-8.59525,-8.29,-1.92,-7.387949903020597
CC[C@@H]1CCc2nc3sc4c(c3c(-c3cccs3)c2C1)CCCC4,C12610100_decoy,ITAL,Decoy,0,-9.51215,-4.82,-2.02,-4.80786298475524
C[C@@H]1CCc2nc3sc4c(c3c(-c3ccc(Cl)cc3)c2C1)CCC4,C12610196_decoy,ITAL,Decoy,0,-9.80196,-4.57,-0.74,-4.770680183830843
c1cc(C23CC4CC(CC(C4)C2)C3)nc(C23CC4CC(CC(C4)C2)C3)c1,C05376202_decoy,ITAL,Decoy,0,-7.79077,-5.61,-2.03,-5.00967632811035
O=C1/C(=C/c2ccc(N(c3ccccc3)c3ccccc3)cc2)Cc2ccccc21,C03252622_decoy,ITAL,Decoy,0,-8.21235,-10.79,-1.84,-8.709356810561205
CC/C=C1\CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](OC(C)=O)CC[C@@]4(C)[C@@H]3CC[C@]12C,C13398742_decoy,ITAL,Decoy,0,-8.36727,-4.79,-1.83,-5.318280811764786
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H](CC[C@H]3C4=C(CC[C@@H]32)[C@](C)(C#Cc2ccccc2)CC4)C1,C13400727_decoy,ITAL,Decoy,0,-9.04014,-5.55,-2.06,-5.219727962189334
Cc1c(-c2ccc(Cl)c(Cl)c2)noc1-c1ccc(Cl)c(Cl)c1,C02733336_decoy,ITAL,Decoy,0,-8.38417,-7.9,-1.95,-8.047244525565889
C(N=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1,C15772165_decoy,ITAL,Decoy,0,-8.35981,-5.45,-2.47,-5.930097753525248
C=CCc1c(-c2ccccc2)cc(-c2ccccc2)nc1-c1ccccc1,C16138486_decoy,ITAL,Decoy,0,-8.48883,-5.04,-2.23,-5.461308712096715
Cc1c(-c2ccccc2)cc(-c2ccc(F)cc2)nc1-c1ccc(F)cc1,C16249875_decoy,ITAL,Decoy,0,-8.7916,-5.84,-0.83,-5.582244949848375
O=C/C(=C1/C=CC(c2ccccc2)=C(c2ccccc2)S1)c1ccccc1,C16477941_decoy,ITAL,Decoy,0,-8.44799,-9.34,-3.21,-9.226478740580196
CC(C)c1ccc(-c2cn3cc(-c4ccccc4)n4c3c2CCCC4)cc1,C16740132_decoy,ITAL,Decoy,0,-6.96212,-4.88,-2.03,-4.590081180370135
Fc1ccc(-c2nn(C3CCCC3)c(-c3ccc(F)cc3)c2Cl)cc1,C17074040_decoy,ITAL,Decoy,0,-8.92137,-6.22,,99.0
Cc1ccc(-c2cc(-c3ccc(C)cc3C)n(-c3ccc(F)cc3)n2)c(C)c1,C17075926_decoy,ITAL,Decoy,0,-8.65493,-10.41,-2.13,-9.384390008185155
Cc1ccc(-n2nc(-c3ccc(F)cc3)c(Cl)c2-c2ccc(F)cc2)cc1C,C17080726_decoy,ITAL,Decoy,0,-8.45225,-9.75,-1.56,-9.028875777039538
O=C(Cl)[C@@H](c1ccccc1)C1(C(Cl)(Cl)Cl)CCCCC1,C02048018_decoy,ITAL,Decoy,0,-8.12829,-7.9,-3.28,-8.770553049578625
O=S(=O)(c1ccccc1)c1ccccc1C(c1ccccc1)c1ccccc1,C18194645_decoy,ITAL,Decoy,0,-7.78997,-10.84,-3.22,-9.68894565971448
Fc1ccc(/C=C2\CCC[C@H]3C2=NN(c2ccccc2)[C@@H]3c2ccc(F)cc2)cc1,C04257765_decoy,ITAL,Decoy,0,-9.00189,-11.79,-3.09,-11.00508916821383
Fc1ccc(CSc2cn(Cc3ccc(F)cc3)c3ccccc23)cc1,C33679465_decoy,ITAL,Decoy,0,-9.07804,-9.34,-2.42,-8.990527879852657
Cc1ccc(SC2=C(Sc3ccc(C)cc3)C(=O)c3ccccc3C2=O)cc1,C01756559_decoy,ITAL,Decoy,0,-9.57531,-9.61,-2.14,-9.781808176545375
c1ccc(CSc2nc3c4ccccc4sc3c3ccccc23)cc1,C39291674_decoy,ITAL,Decoy,0,-9.39414,-8.4,-1.36,-9.316097017707335
CC(=O)[C@H]1CC[C@@]2(C)C(=CC[C@H]3[C@H]4CC[C@H](C(=O)c5ccccc5)[C@@]4(C)CC[C@H]32)C1,C39944660_decoy,ITAL,Decoy,0,-8.78572,-5.22,-2.08,-6.0685507867048605
C[C@@]12CCCC[C@H]1CC[C@@H]1[C@H]3C/C(=C\c4ccccc4F)C(=O)[C@]3(C)CC[C@@H]12,C43751985_decoy,ITAL,Decoy,0,-8.12007,-5.84,-1.38,-4.33627038252818
CN(C)c1ccc(/C=C2\C[C@@H]3[C@H]4CC[C@H]5CCCC[C@@]5(C)[C@H]4CC[C@@]3(C)C2=O)cc1,C43752000_decoy,ITAL,Decoy,0,-8.63577,-5.26,-2.13,-5.393190126530408
COc1ccc(/C=C2\C=C[C@H]3CC[C@@H]4[C@@H](CC[C@@]5(C)CCC[C@@H]45)[C@@]3(C)C2)cc1,C43756968_decoy,ITAL,Decoy,0,-8.73205,-5.32,-0.77,-5.921883951333016
C[C@@]12CC[C@@H](OC(=O)c3ccccc3)C[C@H]1CC[C@H]1[C@@H]2CC[C@@]2(C)C=CC[C@@H]12,C43766836_decoy,ITAL,Decoy,0,-7.77467,-5.36,-1.55,-4.825392822950374
CCC(C)(C)C1C/C(=C\c2sccc2C)C(=O)/C(=C/c2sccc2C)C1,C43774090_decoy,ITAL,Decoy,0,-9.33602,-4.95,-1.13,-6.110584408147132
Cc1ccc(C)c(/C=N/c2ccc(-c3nc4ccc(C)cc4s3)cc2)c1,C58854924_decoy,ITAL,Decoy,0,-7.57971,-8.9,-1.72,-6.41759914549865
CSc1ccc(/C=N/c2cccc(-c3nc4ccccc4s3)c2)cc1,C06470833_decoy,ITAL,Decoy,0,-8.13119,-7.18,-3.3,-6.041064408933284
Clc1ccc(-n2cccc2/C=N/c2ccc(Cl)c(Cl)c2)cc1,C59249110_decoy,ITAL,Decoy,0,-8.34048,-8.9,-1.76,-8.362577690139346
C[C@@H]1CCc2c(sc(/N=C/c3c4ccccc4cc4ccccc34)c2C#N)C1,C15225455_decoy,ITAL,Decoy,0,-9.34117,-6.72,-3.28,-5.808868696983613
C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@@H]1CC[C@H]2[C@@H]3CC[C@@H]4C[C@@H](O)CC[C@]4(C)[C@H]3C[C@@H](O)[C@]21C,C01813047_decoy,ITAL,Decoy,0,-8.96547,-5.85,-1.98,-6.372796520664757
CCCC[C@@H](NC(=O)[C@@H](C)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-],C09165590_decoy,ITAL,Decoy,0,-7.02662,-6.63,-2.63,-7.962104021907135
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(NC[C@@H](O)c3ccccc3)nc12,C01880162_decoy,ITAL,Decoy,0,-8.5489,-9.44,-2.08,-10.513584732200291
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,C12296649_decoy,ITAL,Decoy,0,-7.50766,-5.83,-3.78,-6.05084389722636
Cc1cc(C(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2CCO)c(C)n1-c1cccc(F)c1,C13046240_decoy,ITAL,Decoy,0,-8.10627,-7.9,-3.76,-7.045868966800617
COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1CC(C)C,C13049488_decoy,ITAL,Decoy,0,-7.97573,-5.86,-1.54,-6.081253518237759
Cc1cc(C(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2C[C@H](C)O)c(C)n1C[C@@H]1CCCO1,C13051641_decoy,ITAL,Decoy,0,-8.87669,-7.61,-2.65,-11.178028896869696
CCOc1cc2c(cc1NC(=O)CSc1nnc(-c3ccc(OC)cc3)n1CC(=O)[O-])O[C@H](C)C2,C13443040_decoy,ITAL,Decoy,0,-7.0741,-6.77,-2.84,-6.291808190778798
CC[C@H](C)[C@H](NC(=O)CNC(=O)Cc1c(C)c2cc3c(C(C)(C)C)coc3c(C)c2oc1=O)C(=O)[O-],C15955613_decoy,ITAL,Decoy,0,-7.51645,-7.18,-2.38,-6.358228596365376
CC(=O)[C@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)N[C@H](C(=O)[O-])C(C)C)CC[C@]4(C)[C@@H]3CC[C@@]21C,C15957811_decoy,ITAL,Decoy,0,-7.6172,-5.28,,99.0
C[C@@H](NC(=O)CCC(=O)OCC(=O)[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]21C)C(=O)[O-],C15958880_decoy,ITAL,Decoy,0,-7.51518,-6.03,-2.14,-7.683896983390009
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4nn(C)c(C)c4Cl)[C@@H]3SC2)s1,C02751985_decoy,ITAL,Decoy,0,-7.94304,-6.97,-1.66,-7.226388877548381
COc1ccc(C(=O)N(CCCNC(=O)c2nc([O-])c3ccccc3n2)Cc2ccccc2)cc1OC,C22471787_decoy,ITAL,Decoy,0,-8.35551,-8.08,-4.18,-7.690026018300579
CNC(=O)c1ccc(CN(C(=O)c2ccc([N-]S(=O)(=O)c3ccc(F)c(F)c3)cc2)C2CC2)cc1,C26898823_decoy,ITAL,Decoy,0,-8.29814,-8.39,-2.17,-9.839222151237426
CCC(=O)N[C@H](Oc1ccc(/C=C2\SC(=S)N(CCC(=O)[O-])C2=O)cc1)C(Cl)(Cl)Cl,C26967141_decoy,ITAL,Decoy,0,-10.3754,-6.75,-2.02,-11.856271216804494
CCOc1ccc(/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc1OC,C27614708_decoy,ITAL,Decoy,0,-8.00039,-7.76,-3.59,-7.120387304398246
Cc1ccc(NC(=O)Cn2c(=O)c3c(C)c(C(=O)[O-])sc3n(CC(=O)N3CCCCC3)c2=O)cc1,C34779320_decoy,ITAL,Decoy,0,-9.09051,-7.4,-3.06,-7.585193762994976
NNc1ncccc1S(=O)(=O)[N-]c1c(Br)cc(Br)cc1Br,C35358614_decoy,ITAL,Decoy,0,-9.31587,-4.54,-0.77,-5.702179887068153
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,C35806386_decoy,ITAL,Decoy,0,-6.21412,-6.9,-3.24,-5.890175073649449
CCOC(=O)[C@@H]1C([O-])=NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)[C@H]1c1ccccc1OCC,C09089551_decoy,ITAL,Decoy,0,-8.63859,-8.43,-2.94,-8.513455648786854
CCOC(=O)[C@H]1C([O-])=NC(SCC(=O)Nc2c(C)cc(C)cc2C)=C(C#N)[C@@H]1c1ccccc1F,C09015042_decoy,ITAL,Decoy,0,-8.38522,-9.09,-0.83,-11.123725213930909
CCCCC(=O)N[C@@]1(C(F)(F)F)C(=O)N=C2C1=C([O-])NC(=O)N2CCc1ccc(OC)c(OC)c1,C01900391_decoy,ITAL,Decoy,0,-6.98001,-7.6,-2.36,-7.826903175327399
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4ccccn34)[C@@H]2c2ccc(O)cc2)nc1C,C33813426_decoy,ITAL,Decoy,0,-9.05226,-5.8,-3.12,-6.00096362236716
Cc1ccc(N)c(C(=O)N(C)[C@@H](C(=O)N[C@@H]2C(=O)N3[C@@H]2SC(C)(C)[C@H]3C(=O)[O-])c2ccccc2)c1,C38806875_decoy,ITAL,Decoy,0,-8.64657,-5.29,-2.94,-6.078510896679831
C[C@@H]1CC(C)(C)C[C@]2(C1)NC(=O)N(CC(=O)Nc1ccc(S(=O)(=O)[N-]c3nccs3)cc1)C2=O,C12520842_decoy,ITAL,Decoy,0,-7.34139,-6.18,-2.98,-6.362054703654673
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(OCC(N)=O)cc2)s1,C39999748_decoy,ITAL,Decoy,0,-10.3993,-4.64,-2.33,-6.340027015346282
CN(C)S(=O)(=O)c1ccc(C(=O)C2=C([O-])C(=O)N(CCO)[C@@H]2c2cccc(Oc3ccccc3)c2)cc1,C40110583_decoy,ITAL,Decoy,0,-8.45135,-8.67,-3.22,-8.995969770646303
CCOc1cc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2[C@H]2CCS(=O)(=O)C2)ccc1O,C40548204_decoy,ITAL,Decoy,0,-9.01074,-8.68,-2.54,-11.481347855253894
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)[C@@H](C(C)C)N3C(=O)c4ccccc4C3=O)cc2)c1C,C40845429_decoy,ITAL,Decoy,0,-7.81428,-8.42,-1.93,-11.660794846033198
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CCNS(=O)(=O)c3ccc(C)c(C)c3)cc2)nc(C)n1,C41105292_decoy,ITAL,Decoy,0,-8.88667,-7.63,-2.75,-7.586726058869198
O=C([O-])C[C@]1(C(=O)[O-])[NH2+][C@@H](c2ccc(-c3ccccc3)cc2)[C@@H]2C(=O)N(CCNc3ccccc3)C(=O)[C@H]21,C43218375_decoy,ITAL,Decoy,0,-6.51129,-6.23,-2.05,-6.429535126959865
CSCC[C@@H](NC(=O)CCC(=O)O[C@H]1CC[C@@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@@]4(C)[C@@H]3CC[C@@]12C)C(=O)[O-],C43743560_decoy,ITAL,Decoy,0,-9.20867,-5.66,-2.37,-6.414384743283207
C[C@H](CCC(=O)NCCS(=O)(=O)[O-])[C@H]1CC[C@@H]2[C@H]3[C@H](O)C[C@H]4C[C@H](O)CC[C@@]4(C)[C@@H]3CC[C@]21C,C44184603_decoy,ITAL,Decoy,0,-9.70562,-6.01,-3.02,-6.281697794066444
Cc1ccc(N([C@H](C)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccc(C)n3)cc2)S(C)(=O)=O)cc1,C44843083_decoy,ITAL,Decoy,0,-8.10528,-8.38,-3.37,-9.969098701563976
O=C([O-])CCCCCNC(=O)CCN1C(=O)/C(=C/c2cc(Br)ccc2O)SC1=S,C15038514_decoy,ITAL,Decoy,0,-8.78592,-6.09,-1.99,-6.525055577430488
O=C([O-])COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)Nc3[nH]n(-c4ccccc4)c(=O)c32)cc1,C12349874_decoy1,ITAL,Decoy,0,-8.17545,-5.24,,-5.222855944787124
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc(=O)c4c(C)c(C)sc4[nH]3)cc2)no1,C13545157_decoy,ITAL,Decoy,0,-8.50395,-7.64,-3.2,-8.203763556569767
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)CN3C(=O)[C@@H]4CC[C@](C)(C3=O)C4(C)C)cc2)n1,C54645521_decoy,ITAL,Decoy,0,-7.88585,-8.36,-2.73,-10.292442828462892
O=C(NC(=S)Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1,C12500214_decoy,ITAL,Decoy,0,-6.30118,-6.35,-3.09,-5.276607629830719
O=C1Cc2cc(S(=O)(=O)[N-]c3cccc(S(=O)(=O)/N=C4/CCCCCN4)c3)c(Cl)cc2N1,C12521063_decoy,ITAL,Decoy,0,-7.77896,-8.26,-2.34,-8.755213269384383
COc1ccc(N2N=C(C)/C(=C(\C)Nc3ccc(S(=O)(=O)[N-]c4onc(C)c4C)cc3)C2=O)cc1,C20286501_decoy,ITAL,Decoy,0,-6.65259,-6.93,-1.73,-5.618476847502733
COc1cc(/C=C2/SC(=S)N=C2[O-])c(Br)cc1Oc1c(N)n(C)c(=O)n(C)c1=O,C59599180_decoy,ITAL,Decoy,0,-7.26701,-6.06,-2.36,-5.646737432338366
CCOc1cc(/C=C2/SC(=S)N=C2[O-])c(Br)cc1Oc1c(N)n(C)c(=O)n(C)c1=O,C59599428_decoy,ITAL,Decoy,0,-7.11761,-6.02,-3.16,-6.114482131039172
COc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H](c2ccc(OC)cc2)[C@@H]2C([O-])=NC(=O)[C@H]2S3)cc1,C39884162_decoy2,ITAL,Decoy,0,-8.90226,-7.3,,-6.790814382767447
CC(=O)Nc1c([O-])nc(SCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)[nH]c1=O,C59919533_decoy,ITAL,Decoy,0,-8.78995,-6.99,-1.66,-6.6236362702038125
Cc1nn(-c2ccccc2)c(O)c1[C@]1(C(F)(F)F)C(=O)N[C@@H]2[C@@H]1C(=O)N=C([O-])N2c1ccc(F)cc1,C63427081_decoy,ITAL,Decoy,0,-7.16817,-5.96,-3.51,-5.379905168469977
Cc1[nH]n(-c2ccccc2)c(=O)c1[C@@]1(C(F)(F)F)C(=O)N[C@H]2C1=C([O-])NC(=O)N2Cc1ccc(F)cc1,C38959032_decoy,ITAL,Decoy,0,-7.62869,-6.25,-2.4,-5.697841570230246
COc1ccc(C2=NN=C[C@@H]2/C=C(\C#N)C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)cc1,C63772624_decoy,ITAL,Decoy,0,-7.9077,-7.91,-1.97,-8.21384047375163
COc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H](c2ccc(OC)cc2)[C@H]2C([O-])=NC(=O)[C@@H]2S3)cc1,C39884162_decoy3,ITAL,Decoy,0,-8.04307,-5.65,,99.0
COc1ccc(NC(=O)Cn2c3c(sc2=O)[C@@H](c2ccc(F)cc2)[C@@H]2C(=O)N=C([O-])[C@@H]2S3)cc1,C39884165_decoy,ITAL,Decoy,0,-9.07132,-8.66,-3.6,-10.551707327475668
O=C(CN1C(=O)[C@@H]2C3c4ccccc4C(c4ccccc43)[C@H]2C1=O)OCC(=O)c1ccc(Br)cc1,C00837183_decoy,ITAL,Decoy,0,-9.63145,-6.99,-2.94,-7.017555350262252
COc1cc(OC)cc(C(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@H]2c2ccc(F)cc2)C(C)C)c1,C04212389_decoy,ITAL,Decoy,0,-8.96796,-9.6,-2.41,-12.762489032145892
CCOc1cc(/C=C2/SC(=O)N(Cc3ccc([N+](=O)[O-])cc3)C2=O)cc(Cl)c1OCc1ccccc1,C08754128_decoy,ITAL,Decoy,0,-8.68683,-8.2,-2.8,-9.665519446632675
COCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)cc3)C2)[C@@H]1c1ccc(Br)cc1,C08780583_decoy,ITAL,Decoy,0,-9.15574,-7.08,-2.23,-8.473608406470781
CCc1cccc2sc(N(Cc3ccco3)C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(OC)cc3)nc12,C09068700_decoy,ITAL,Decoy,0,-8.31185,-8.78,-3.76,-9.921071603973314
COc1ccc(S(=O)(=O)N2CCC[C@H]2C(=O)N(Cc2ccco2)c2nc3c(C)c(C)ccc3s2)cc1,C09069014_decoy,ITAL,Decoy,0,-8.95117,-9.93,-3.41,-11.261206138950158
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Oc3ncn4nc(Cc5ccc(OC)c(OC)c5)nc4c32)cc1,C02401137_decoy,ITAL,Decoy,0,-7.98211,-7.24,-2.27,-6.223107608055053
CCN(CC)C(=O)c1sc2c(c1C)c(=O)n(-c1ccc(OC)cc1OC)c(=O)n2Cc1ccccc1F,C02957030_decoy,ITAL,Decoy,0,-7.46804,-5.27,-3.77,-6.199281080281923
COC(=O)CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)sc2ccccc21,C09298792_decoy,ITAL,Decoy,0,-9.18233,-7.82,-2.54,-9.106921020053358
COC(=O)Cn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)sc2cccc(C)c21,C09768671_decoy,ITAL,Decoy,0,-8.38275,-8.27,-2.81,-11.820048164529313
COc1ccc(N2CCN(c3nc4c(c(=O)n(C)c(=O)n4C)n3CCSc3ccc(F)cc3)CC2)cc1,C10248742_decoy,ITAL,Decoy,0,-8.94652,-5.68,-3.08,-6.542771093724437
Cc1cccc2sc(N(Cc3ccco3)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)nc12,C10527927_decoy,ITAL,Decoy,0,-8.79007,-9.01,-2.25,-12.510980375150956
CC[C@]1(C)Cc2ccccc2-c2c1c(=O)n(Cc1ccccc1)c1nnc(SCC(=O)N3CCCCC3)n21,C01421842_decoy,ITAL,Decoy,0,-6.82697,-7.01,-3.09,-5.616090155427775
CCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1cc2c(cc1[N+](=O)[O-])OCO2,C08892401_decoy,ITAL,Decoy,0,-7.5141,-4.04,-3.53,-5.056894762575556
CCOCCn1/c(=N/C(=O)[C@H]2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)sc2cc(OCC)ccc21,C12665498_decoy,ITAL,Decoy,0,-9.50634,-7.9,-3.59,-9.370890207656316
Cc1ccc(-n2c([C@H](C)N(Cc3ccco3)C(=O)[C@@H](Cl)c3ccccc3)nc3ccccc3c2=O)cc1C,C16427275_decoy,ITAL,Decoy,0,-9.49831,-6.85,-2.89,-6.999624469044872
CC(C)CN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(C(C)(C)C)cc1)C(=O)c1cccc([N+](=O)[O-])c1,C16502755_decoy,ITAL,Decoy,0,-10.0179,-7.21,-4.13,-7.953926140621325
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)cc1F,C02508723_decoy,ITAL,Decoy,0,-9.23727,-6.58,-4.02,-6.803932086895392
COC(=O)C1=C(C)N=c2s/c(=C/c3c(C)nn(-c4ccccc4)c3C)c(=O)n2[C@@H]1c1ccc(N(C)C)cc1,C02784130_decoy,ITAL,Decoy,0,-9.19722,-7.37,-4.75,-7.515443430672615
Cc1ccc(N(CCN2C(=O)c3cccc4cccc(c34)C2=O)C(=O)COc2ccccc2[N+](=O)[O-])c(C)c1,C21487087_decoy,ITAL,Decoy,0,-8.47742,-5.9,-3.84,-5.786072591830215
COc1cccc(-n2c(SCC(=O)Nc3ccccc3)nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)c1,C26895669_decoy,ITAL,Decoy,0,-9.66296,-8.94,-1.99,-8.294634976421657
Cc1ccc(C)c(S(=O)(=O)N(C)c2ccc(OC(=O)C3CCN(C(=O)c4ccc(F)cc4)CC3)cc2)c1,C32992732_decoy,ITAL,Decoy,0,-8.0452,-8.77,-4.21,-7.410993281906664
CCOc1ccc2c(c1)s/c(=N/C(=O)[C@H]1CCCCN1S(=O)(=O)c1cccs1)n2CCSC,C10065463_decoy,ITAL,Decoy,0,-9.77032,-6.78,-3.83,-10.543687559657595
CCCN(C(=O)Nc1ccccc1Br)[C@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1,C35038905_decoy,ITAL,Decoy,0,-8.72849,-9.13,-1.85,-18.67666876863208
COc1ccc(-n2c([C@H](C)N(CCC(C)C)C(=O)c3ccc(C)c([N+](=O)[O-])c3)nc3ccccc3c2=O)cc1,C35042995_decoy,ITAL,Decoy,0,-6.457,-8.33,-3.73,-8.783903551279376
CCCCCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1OCC,C35485960_decoy,ITAL,Decoy,0,-9.10866,-6.29,-2.66,-7.037993414425928
COc1cccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(C2CC2)S(=O)(=O)c2ccc(C)cc2)c1,C36124114_decoy,ITAL,Decoy,0,-9.70697,-8.33,-3.9,-8.855882109689388
CCCNC(=O)CN1C(=O)CS[C@@H](c2cccc(F)c2)c2c(-c3ccccc3)nn(-c3cccc(C)c3)c21,C37264086_decoy,ITAL,Decoy,0,-8.96945,-5.33,-2.97,-6.000307308169664
CCOc1ccc(-c2ccc(=O)n(CC(=O)N3N=C(c4ccc(OC)cc4)C[C@@H]3c3ccc(F)cc3)n2)cc1,C38479250_decoy,ITAL,Decoy,0,-8.20581,-6.42,-2.85,-5.886554715176218
COc1ccc(CCN2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC,C38591672_decoy,ITAL,Decoy,0,-8.25389,-5.61,-2.86,-6.5518533408388695
CCCOc1cccc([C@@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1,C38593342_decoy,ITAL,Decoy,0,-8.3609,-6.96,-2.73,-6.655010636236834
CCCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1OC,C38648428_decoy,ITAL,Decoy,0,-8.01942,-8.61,-3.23,-8.235214491190014
CCCCCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1OC,C38648433_decoy,ITAL,Decoy,0,-8.11257,-7.27,-3.54,-10.179590407859518
CCCCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1OCC,C38648613_decoy,ITAL,Decoy,0,-8.22489,-8.14,-2.89,-9.09973515222528
Cc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@H](C)C4)cc3)sc2c1,C11065776_decoy,ITAL,Decoy,0,-9.43161,-7.43,-4.01,-7.242678726643502
CCON1CCC(CN2C(=O)N(SC)C[C@]2(C)S(=O)(=O)Oc2ccccc2)(C2CCCCC2)CC1,C39490837_decoy,ITAL,Decoy,0,-10.5388,-8.94,-3.79,-9.930538931330492
CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2/SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O,C39770257_decoy,ITAL,Decoy,0,-8.66109,-4.39,-2.93,-5.159410552883239
CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3F)nc3sc4c(c3c2=O)CC[C@H](C)C4)cc1,C39869242_decoy,ITAL,Decoy,0,-8.71186,-6.19,-3.74,-6.095745950029493
CCCOc1cccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2CCc2ccc(OC)c(OC)c2)c1,C39911368_decoy,ITAL,Decoy,0,-8.54871,-7.92,-3.06,-7.657491152747216
CCCn1c(N2CCN(c3ccc(F)cc3)CC2)c(/C=C2\SC(=S)N(CC)C2=O)c(C)c(C#N)c1=O,C39990193_decoy,ITAL,Decoy,0,-8.54684,-6.09,-3.63,-6.275558227513339
COc1cc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nnc(C(C)C)s2)ccc1OCC(C)C,C40014570_decoy,ITAL,Decoy,0,-10.0755,-4.69,-3.29,-5.950305230599327
O=C1C[C@@H](c2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)CN1Cc1ccc(F)cc1,C40273179_decoy,ITAL,Decoy,0,-8.06446,-8.92,-3.36,-7.985439294129877
CCOc1ccc(S(=O)(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccccc5C)sc4n3)CC2)cc1,C41077584_decoy,ITAL,Decoy,0,-9.12983,-8.04,-2.71,-6.983725771817767
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccccc3OC(C)=O)c(=O)n2[C@@H]1c1ccccc1Cl,C01755758_decoy,ITAL,Decoy,0,-9.0985,-6.71,-2.21,-9.06301443964542
N#CC1=C(SCC(=O)Nc2ccc(Br)cc2)N=C2CCCC(=O)[C@@H]2[C@H]1c1cccc(Cl)c1Cl,C01778954_decoy,ITAL,Decoy,0,-8.92549,-6.44,-3.72,-5.048165697149787
COc1ccc(C(=O)[C@H]2[C@H](c3cc(OC)ccc3OC)C3(C(=O)c4ccccc4C3=O)[C@@H]3c4ccccc4C=NN32)cc1,C01874513_decoy,ITAL,Decoy,0,-7.0362,-5.57,-1.78,-5.210368866323485
Cn1c(=O)c2c(nc(CN(Cc3ccccc3)Cc3ccccc3)n2Cc2cccc3ccccc23)n(C)c1=O,C57010895_decoy,ITAL,Decoy,0,-9.86828,-9.92,-2.52,-11.355330097203453
COc1cc(/C=C2\Oc3c(ccc(OCc4cc(Cl)cc5c4OCOC5)c3C)C2=O)cc(OC)c1OC,C41507414_decoy,ITAL,Decoy,0,-8.74399,-7.63,-1.61,-9.004337773307567
COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc(OCc3cc(Cl)cc4c3OCOC4)c2C)C1=O,C41507472_decoy,ITAL,Decoy,0,-8.32534,-6.89,-2.39,-6.4245253724307085
COC(=O)C1=C(C)N=C(C(=O)CS[C@@H]2N=C3S[C@@H]4C[C@H](C)CCC4=C3C(=O)N2c2ccccc2)[C@H]1C,C63082835_decoy,ITAL,Decoy,0,-8.88278,-6.49,-2.12,-7.452195548291997
O=[N+]([O-])c1cc(Br)c2nsnc2c1Sc1nnc2c3ccccc3nc(-c3ccccc3)n12,C03770941_decoy,ITAL,Decoy,0,-6.09903,-5.2,-2.86,-4.342188375299005
O=C(c1ccc(Br)cc1)[C@@H]1[C@@H](C(=O)c2ccc(F)cc2)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12,C01862481_decoy,ITAL,Decoy,0,-10.4892,-11.89,-1.14,-20.867908199867955
CCOc1ccccc1NC1=Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccn1)[C@H]2c1cccc(Cl)c1,C01740294_decoy,ITAL,Decoy,0,-7.34636,-5.85,-1.96,-5.366485053125678
Cc1nc2ccc(Br)cc2c(-c2ccccc2)c1C1=C[C@@H](c2ccc(Br)cc2)N(S(C)(=O)=O)N1,C01829122_decoy,ITAL,Decoy,0,-8.38078,-6.5,-3.42,-6.0818976996167855
O=S(=O)(Nc1ccc(-n2nc(Br)c(Br)c2Br)cc1)c1ccc(Cl)cc1,C02150362_decoy,ITAL,Decoy,0,-9.67791,-6.87,-2.44,-6.968314532173576
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cn(-c4ccccc4)nc3-c3ccccc3)c(=O)n2[C@H]1c1ccc(C)cc1,C01872421_decoy,ITAL,Decoy,0,-7.69346,-9.47,-4.12,-7.2681304404972895
CCOc1cc([C@H]2C(C(=O)OC)=C(C)N=C3C[C@H](c4ccc(OC)c(OC)c4)CC(=O)C32)cc(Br)c1O,C06195744_decoy,ITAL,Decoy,0,-8.52718,-4.59,-2.55,-5.970437912488433
CCOc1cc([C@@H]2C(C(=O)OC)=C(C)N=C3C[C@@H](c4ccc(OC)c(OC)c4)CC(=O)C32)cc(Br)c1O,C06195800_decoy,ITAL,Decoy,0,-9.0614,-7.58,-2.05,-7.754891367901726
CC(=O)O[C@H]1C[C@@H](O)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@]3(C)[C@@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@@H]5O[C@]534)[C@@]12C,C08214819_decoy,ITAL,Decoy,0,-7.35883,-4.3,-3.17,-5.040966881323997
COc1cc(Br)cc(/C=c2/sc3n(c2=O)[C@H](c2cccc([N+](=O)[O-])c2)C2=C(N=3)c3ccccc3CC2)c1O,C01844664_decoy,ITAL,Decoy,0,-9.12677,-7.1,-2.2,-6.692249501809161
Clc1ccc(-c2cn3nc(-c4nn5cc(-c6ccc(Cl)cc6)c6c5n4CCCC6)n4c3c2CCCC4)cc1,C08694496_decoy,ITAL,Decoy,0,-9.67967,-5.97,-3.65,-5.911251734353487
COc1ccc([C@H]2C(C(=O)Nc3ccccc3C)=C(C)N=c3s/c(=C\c4cc(C)n(-c5ccccc5)c4C)c(=O)n32)cc1OC,C08695545_decoy,ITAL,Decoy,0,-9.32836,-7.92,-3.31,-7.387884093830418
O=C(/N=c1\sn(-c2ccc(Cl)cc2)nc1C(=O)N1CCCC1)c1nnn(-c2ccc(F)cc2)c1-c1ccccc1,C08770674_decoy,ITAL,Decoy,0,-9.6349,-7.33,-2.32,-7.066915019808036
Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCCC3)N(Cc3ccccc3)Cc3cccnc3)c(=O)[nH]c2c1,C19973193_decoy,ITAL,Decoy,0,-9.51845,-10.21,-3.9,-10.439113001627256
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)cc3c1[C@H](C2)N(C)CC3,C28116057_decoy,ITAL,Decoy,0,-6.99974,-5.23,-3.61,-4.483748546765593
CN1C(=O)c2ccc(Oc3ccc(C(C)(C)c4ccc(Oc5ccc6c(c5)C(=O)N(C)C6=O)cc4)cc3)cc2C1=O,C01042092_decoy,ITAL,Decoy,0,-8.26761,-9.12,-2.58,-7.5349253195982
CC(C)C(=O)OCC(=O)[C@@]12O[C@@H](C3CCCCC3)O[C@@H]1C[C@@H]1[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3[C@@H](O)C[C@@]12C,C36047110_decoy,ITAL,Decoy,0,-10.5463,-9.09,-3.72,-11.431004626515891
COc1ccc2cc1Oc1ccc(cc1)C[C@H]1c3cc(c(OC)cc3CCN1C)Oc1c(OC)c(OC)c(OC)c3c1[C@H](C2)N(C)CC3,C19685806_decoy,ITAL,Decoy,0,-7.01725,-5.83,-2.66,-5.691302100202613
COC(=O)C1=C(C)NC2=C(C(=O)c3ccccc32)[C@@H]1c1cc(Cl)c(OCc2ccc([N+](=O)[O-])cc2)c(OC)c1,C00797894_decoy,ITAL,Decoy,0,-9.837,-6.41,-4.32,-6.704635564720316
O=C(c1cc2cc(Br)cc(Br)c2oc1=O)N1CCS[C@H]1c1ccc([N+](=O)[O-])cc1,C00855077_decoy,ITAL,Decoy,0,-8.71071,-8.05,-3.96,-9.684254897916366
Cc1cc(Br)c(NC(=O)CSc2nnc(-c3cccnc3)n2Cc2ccco2)c(Br)c1,C01275146_decoy,ITAL,Decoy,0,-9.51151,-8.17,-2.2,-8.559339762958267
N#Cc1ccccc1OCC(=O)N/N=C/c1cc(Br)cc(Br)c1OC(=O)c1ccco1,C01434010_decoy,ITAL,Decoy,0,-8.41229,-7.52,-2.72,-7.279002483144999
O=C(CSc1ncnc2c1sc1nc(-c3ccccc3)c3c(c12)CCC3)Nc1ccc(Br)cc1,C01762628_decoy,ITAL,Decoy,0,-9.67898,-7.72,-1.6,-6.961661510409371
O=[N+]([O-])c1cccc([C@H]2Nc3c(Cl)cc(Cl)cc3[C@@H]3[C@H](Cl)[C@@H](Sc4ccccc4[N+](=O)[O-])C[C@@H]32)c1,C01792673_decoy,ITAL,Decoy,0,-5.65278,-8.92,-2.04,-6.387900829414233
COc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(Nc4cccc(C)c4)=Nc4ccccc4N32)cc(OC)c1OC,C01815524_decoy,ITAL,Decoy,0,-8.93812,-5.84,-3.6,-6.352965378600205
COc1ccc([C@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C\c4ccc(-c5ccccc5Cl)o4)c(=O)n32)cc1,C01816646_decoy,ITAL,Decoy,0,-9.73248,-8.01,-2.5,-7.981873004264099
Cc1ccccc1-n1c(SCc2nc3c(c(=O)[nH]2)C2(CCCCC2)Cc2ccccc2-3)nc2ccccc2c1=O,C01816990_decoy,ITAL,Decoy,0,-9.34405,-6.93,-3.33,-5.969468409458124
COc1ccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccc(OC)cc2)C2(CCCC2)Cc2ccccc2-3)cc1,C01823942_decoy,ITAL,Decoy,0,-9.41301,-5.79,-2.79,-6.767490117922806
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccc(F)cc1,C01825239_decoy,ITAL,Decoy,0,-8.70812,-5.66,-3.67,-5.414756287039986
CCOc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(OC)c(OC)c2)cc1,C01825997_decoy,ITAL,Decoy,0,-9.61236,-5.81,-3.33,-6.385398072834075
O=[N+]([O-])c1ccc([C@@H]2Nc3c(Cl)cc(Cl)cc3[C@H]3[C@H](Cl)[C@H](Sc4ccccc4[N+](=O)[O-])C[C@H]32)cc1,C01835412_decoy,ITAL,Decoy,0,-4.72312,-8.74,-2.48,-6.960353951585086
O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCC4)N(c1ccccc1)c1ccccc1,C01860736_decoy,ITAL,Decoy,0,-9.17998,-9.11,-4.92,-8.048486773707019
O=C(Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1cc(I)ccc1Cl,C01863412_decoy,ITAL,Decoy,0,-9.26841,-8.54,-2.53,-11.845961063587929
O=c1/c(=C/c2ccc(O)c(Br)c2)sc2n1[C@H](c1cccc([N+](=O)[O-])c1)C1=C(N=2)c2ccccc2CC1,C01866550_decoy,ITAL,Decoy,0,-8.32436,-8.34,-4.03,-6.8331890957981205
COC(=O)c1ccc([C@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(Nc4cccc(F)c4)=Nc4ccccc4N32)cc1,C01871813_decoy,ITAL,Decoy,0,-9.37888,-7.09,-3.27,-7.104759153894719
Cc1ccc(-n2c(=O)c3c4c(sc3n3c(SCC(=O)N(c5ccccc5)c5ccccc5)nnc23)CCCC4)cc1,C01872910_decoy,ITAL,Decoy,0,-8.76395,-6.8,-2.75,-6.5612855875843525
COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccccc2OC)cc1Cl,C01874024_decoy,ITAL,Decoy,0,-9.93313,-5.94,-3.26,-6.9069279175913705
Cc1cccc(-n2c(=O)c3c4c(sc3n3c(SCc5c(Cl)cccc5Cl)nnc23)CO[C@@H](C(C)C)C4)c1,C01875378_decoy,ITAL,Decoy,0,-8.53248,-6.34,-2.94,-4.707006157128385
CCOc1ccccc1NC1=Nc2ccccc2N2C1=Nc1c(c(C)nn1-c1ccccc1)[C@@H]2c1ccc(N(C)C)cc1,C01877751_decoy,ITAL,Decoy,0,-9.28239,-6.55,-3.31,-7.537702636421731
CCOc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc(OC)c2)cc1,C01885912_decoy,ITAL,Decoy,0,-8.19083,-5.6,-3.26,-5.628418137104036
CC(C)(C)C(=O)[C@H]1[C@H](C(=O)c2ccc(Br)cc2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21,C01885946_decoy,ITAL,Decoy,0,-8.05858,-5.78,-1.33,-6.154226574663239
CC(=O)c1ccc(NC(=O)CSc2nnc3c4c5c(sc4nc(SCc4ccccc4)n23)CCCC5)cc1,C01887023_decoy,ITAL,Decoy,0,-8.77209,-8.84,-3.17,-9.602677455508044
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc([N+](=O)[O-])cc3)nc3sc4c(c3c2=O)CCCC4)cc1,C01889636_decoy,ITAL,Decoy,0,-8.83981,-6.71,-4.4,-6.259944682776064
COc1ccc(-c2nnc(SCC(=O)Nc3ccc(-c4nc5ccc(C)cc5s4)cc3)n2-c2ccccc2)cc1,C01892237_decoy,ITAL,Decoy,0,-8.5901,-8.58,-3.41,-7.720332579183927
O=C(c1ccccc1F)[C@@H]1[C@@H](C(=O)c2ccc(Cl)cc2Cl)[C@@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12,C01892997_decoy,ITAL,Decoy,0,-11.3649,-10.16,-2.88,-11.606047217791032
COc1ccc(Cc2nn3c(=O)/c(=C\c4cn(-c5ccccc5)nc4-c4ccc5c(c4)C[C@@H](C)O5)sc3nc2=O)cc1,C01894010_decoy,ITAL,Decoy,0,-8.81581,-7.43,-3.71,-7.204815298404206
CCOc1ccccc1[C@H]1[C@H](C(=O)c2ccc([N+](=O)[O-])cc2)N2c3ccccc3C=C[C@H]2C12C(=O)c1ccccc1C2=O,C01899787_decoy,ITAL,Decoy,0,-7.2738,-10.34,-2.37,-9.63908673778126
COc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc(Cl)c2)c(OC)c1,C01900856_decoy,ITAL,Decoy,0,-6.22701,-5.38,-3.56,-4.543922293105712
O=C1/C(=C/c2ccco2)N=C(SCc2nc3sc4c(c3c(=O)[nH]2)CCCC4)N1c1ccc(OC(F)F)cc1,C03325324_decoy,ITAL,Decoy,0,-8.75785,-10.34,-2.48,-11.07619250098729
CC(=O)O[C@H]1C[C@@H](O)C(C)(C)[C@@H]2C[C@@H](OC(C)=O)[C@]3(C)[C@@H](CC[C@@]4(C)[C@H](c5ccoc5)OC(=O)[C@H]5O[C@@]534)[C@@]12C,C61389455_decoy,ITAL,Decoy,0,-7.46608,-4.88,-3.19,-5.3445864902245495
CC(C)(C)n1nnnc1[C@H](c1cc2cc3c(cc2[nH]c1=O)OCO3)[NH+](Cc1ccccc1)Cc1cccnc1,C06015051_decoy,ITAL,Decoy,0,-9.17284,-6.36,-3.65,-7.045458017076934
CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)ccc(C)c2[nH]c1=O)[NH+]1CCN(c2cc(Cl)ccc2C)CC1,C06077493_decoy,ITAL,Decoy,0,-8.74492,-5.59,-2.55,-5.827320359532965
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CC=C(c4ccc(F)cc4)CC3)cc2c1,C06196823_decoy,ITAL,Decoy,0,-9.39104,-9.11,-2.14,-8.665936109226982
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C[C@H]3CCCO3)[NH+]3CCN(c4ccc(OC)cc4)CC3)cc2c1,C06135355_decoy,ITAL,Decoy,0,-8.29552,-6.11,-1.7,-5.640385890191454
CC(C)(C)c1ccc(Oc2cccc([C@H]3CC(O)=C([C@H]4[NH2+]CCc5ccccc54)C(=O)[C@@H]3n3cncn3)c2)cc1,C08666516_decoy,ITAL,Decoy,0,-8.97576,-6.5,-2.54,-6.03853272953334
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@@H](C)O[C@H](C)C3)cc2)sc2c1CC[NH+](C)C2,C08880829_decoy,ITAL,Decoy,0,-8.27373,-5.02,-2.51,-5.5869345510129085
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3C[C@H](C)C[C@H](C)C3)cc2)sc2c1CC[NH+](C)C2,C09369204_decoy,ITAL,Decoy,0,-8.56524,-6.99,-3.51,-8.803291410767265
COc1ccc2cc([C@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1,C06176868_decoy,ITAL,Decoy,0,-9.18595,-6.98,-3.44,-7.139814858660508
COc1ccc(N2CC[NH+]([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C[C@H]3CCCO3)CC2)cc1,C06193622_decoy,ITAL,Decoy,0,-9.59646,-6.52,,99.0
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCN(c4ccccc4F)CC3)cc12,C06244852_decoy,ITAL,Decoy,0,-9.28883,-11.43,-3.23,-13.890306133202325
CCN(CC)c1ccc(N2CCN(C(=O)[C@]3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)[nH+]c1N(CC)CC,C13651282_decoy,ITAL,Decoy,0,-8.44528,-8.02,-2.06,-10.11963996585598
COc1ccc(N2CC[NH+]([C@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3C[C@@H]3CCCO3)CC2)cc1,C06194985_decoy,ITAL,Decoy,0,-8.64289,-8.97,-1.74,-10.732032302347026
O=c1[nH]c2cc3c(cc2cc1[C@H](c1nnnn1C1CCCCC1)N1CC[NH+](C2CCCCC2)CC1)OCO3,C20080846_decoy,ITAL,Decoy,0,-9.99779,-8.49,-2.93,-10.212211011983602
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3CCc3ccccc3)N3CC[NH+](C4CCCCC4)CC3)cc12,C01381768_decoy,ITAL,Decoy,0,-9.49647,-11.48,-1.32,-17.31755688678682
CCN(CC)C(=O)c1sc(NC(=O)c2cc3cc(Br)ccc3oc2=[NH2+])c(C(=O)OC)c1C,C20568800_decoy,ITAL,Decoy,0,-9.31179,-4.84,,99.0
CCN(CC)C(=O)C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2CC(=O)N2CCCCC2)CCCC4)CC1,C34747469_decoy,ITAL,Decoy,0,-6.87906,-6.04,,99.0
O=C(Cn1c(N2CC[NH+](CC(=O)N3CCCC3)CC2)nc2sc3c(c2c1=O)CCC3)NC1CCCCC1,C34748137_decoy,ITAL,Decoy,0,-9.80899,-5.71,-2.19,-6.877013608719547
Cc1ccc(NC(=O)Cn2c(N3CC[NH+](CC(=O)N4CCCC4)CC3)nc3sc(C)c(C)c3c2=O)cc1,C34748772_decoy,ITAL,Decoy,0,-8.82328,-7.51,-1.64,-7.895958671168797
Cc1ccccc1NC(=O)Cn1c(N2CC[NH+](CC(=O)N3CCCC3)CC2)nc2sc(C)c(C)c2c1=O,C34748773_decoy,ITAL,Decoy,0,-7.86497,-7.67,-2.38,-7.751930241882948
CCc1c(C)sc2nc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)n(CC(=O)N3CCCCC3)c(=O)c12,C34749370_decoy,ITAL,Decoy,0,-8.87073,-6.81,-1.67,-7.31864945980984
CCN(CC)C(=O)CSc1nc(N2CC[NH+](CC(=O)N3CC3)CC2)c2c3c(sc2n1)COC(C)(C)C3,C34750193_decoy,ITAL,Decoy,0,-8.42173,-4.99,-1.9,-6.713666100828979
CCN(CC)C(=O)C[NH+]1CCN(c2nc(SCc3ccc(C)cc3C)nc3sc4c(c23)CCC4)CC1,C34757562_decoy,ITAL,Decoy,0,-8.79697,-6.9,-2.13,-7.1018639525404685
CC[NH+](CC)CCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1cc(Br)c(O)c(OC)c1,C35486387_decoy,ITAL,Decoy,0,-8.82814,-5.97,-1.46,-6.817378226447135
Cc1cccn2c(=O)c3c([nH+]c12)N1CCCCC[C@H]1[C@]1(C3)C(=O)NC(=O)N(Cc2ccccc2Cl)C1=O,C13811632_decoy,ITAL,Decoy,0,-8.96905,-6.07,-1.7,-4.780703618645223
COc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)cc3)nc12,C36637429_decoy,ITAL,Decoy,0,-6.25913,-7.1,-3.25,-4.966175967423262
Cc1ccc2c(c1C)NC(=O)[C@@]21[NH+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@]12C(=O)Nc1ccccc12,C09242755_decoy,ITAL,Decoy,0,-7.22821,-6.0,-1.88,-4.552458007768976
Cc1ccc2c(c1C)NC(=O)[C@@]21[NH+]2CCC[C@@H]2[C@@H](C(=O)c2ccc3ccccc3c2)[C@@]12C(=O)Nc1ccccc12,C09242753_decoy,ITAL,Decoy,0,-8.94812,-6.08,-2.83,-5.458360819567627
CCCCn1c(N2CC[NH+](CC)CC2)c(/C=C2\SC(=S)N(C[C@@H]3CCCO3)C2=O)c(C)c(C#N)c1=O,C33812671_decoy,ITAL,Decoy,0,-7.91954,-4.4,-2.59,-5.434818126772234
Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CC[NH+](c4cccc(C)c4C)CC2)c2ccccc23)cc1C,C08602233_decoy,ITAL,Decoy,0,-8.29298,-7.49,-4.42,-5.726422968044428
O=C(NCc1ccc(-n2ccnc2)cc1)[C@@H]1CCC[NH+](Cc2nc(-c3ccc(Br)cc3)no2)C1,C38905615_decoy,ITAL,Decoy,0,-8.09329,-5.92,-2.35,-6.078157844618868
CSC1=C[C@@H]2C[C@H]3CO[P@](=O)(c4ccccc4O)N[NH+]3C[C@@H]2C=C1S(=O)(=O)Oc1ccccc1,C39467296_decoy,ITAL,Decoy,0,-7.63139,-9.3,-2.01,-7.754814416261304
CSC1=C[C@@H]2C[NH+]3N[P@@](=O)(c4ccccc4O)OC[C@@H]3C[C@@H]2C=C1S(=O)(=O)Oc1ccccc1,C39467572_decoy,ITAL,Decoy,0,-9.53689,-7.81,-3.15,-8.6692607890194
Cc1onc(-c2ccccc2)c1C(=O)N1C[C@@H](C(=O)NC[C@@H](C)Oc2ccc(F)cc2)C2(CC[NH2+]CC2)C1,C39596505_decoy,ITAL,Decoy,0,-7.49274,-7.39,-2.9,-7.43469836301758
CCn1nc(C)c(Br)c1C(=O)N1C[C@H](C(=O)NCCc2ccccc2F)C2(CC[NH2+]CC2)C1,C39638957_decoy,ITAL,Decoy,0,-8.34461,-5.15,-2.39,-5.308459492620065
CCn1nc(C)c(Br)c1C(=O)N1C[C@@H](C(=O)NCCc2ccccc2F)C2(CC[NH2+]CC2)C1,C39638958_decoy,ITAL,Decoy,0,-10.3761,-5.34,-2.89,-7.04506169502625
Cc1ccc(F)c(C(=O)N2C[C@@H](C(=O)N[C@H](C)c3ccc(Br)cc3)C3(CC[NH2+]CC3)C2)c1F,C39656988_decoy,ITAL,Decoy,0,-8.13583,-4.94,,99.0
Cc1ccc(CCNC(=O)[C@H]2CN(C(=O)c3cnc4c(c(C)nn4C)c3Cl)CC23CC[NH2+]CC3)c(C)c1,C39667181_decoy,ITAL,Decoy,0,-8.02054,-7.99,-2.66,-6.859364170270392
Cc1ccc(C(=O)N2C[C@H](C(=O)NCCc3ccccc3Br)C3(CC[NH2+]CC3)C2)c(F)c1F,C39683707_decoy,ITAL,Decoy,0,-9.70565,-8.92,-2.01,-10.129694083305344
O=C(NCc1ccc(-n2cccc2)cc1)[C@H]1CN(C(=O)c2ccc(OC(F)(F)F)cc2)CC12CC[NH2+]CC2,C39690083_decoy,ITAL,Decoy,0,-6.9836,-8.66,-4.05,-7.411053315707423
COc1ccc(Nc2scc(-c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)[n+]2C[C@H]2CCCO2)cc1,C39834614_decoy,ITAL,Decoy,0,-9.01015,-6.91,-2.4,-6.644114853953924
CC[C@]1(O)C[C@H]2C=C3C4=N[C@@H]5C=C(Cl)C(C)=C[C@@H]5C(C[NH+]5CCC(C)CC5)=C4CN3C(=O)[C@@H]2COC1=O,C40689076_decoy,ITAL,Decoy,0,-7.93973,-5.36,-2.44,-4.147410764086107
C[C@@]12CCC3(CC1=CC[C@@H]1[C@H]4CC[C@@](O)(C/[NH+]=C/c5cc(Cl)cc(Cl)c5O)[C@]4(C)CC[C@@H]12)OCCO3,C43741008_decoy,ITAL,Decoy,0,-10.3548,-6.31,-2.03,-6.652258661462225
CCS(=O)(=O)C1=NSC2=NC(=O)/C(=C\c3cn(CCOc4cccc(C)c4)c4ccccc34)C(=[NH2+])N21,C20206508_decoy,ITAL,Decoy,0,-8.46427,-5.95,-3.05,-5.791346022660181
Cc1cccc(C)c1OCCn1cc(/C=C2\C(=[NH2+])N3N=C(S(C)(=O)=O)SC3=NC2=O)c2ccccc21,C20207700_decoy,ITAL,Decoy,0,-8.96145,-5.42,-3.97,-5.516273949110495
COc1ccc([C@H]2c3c(nc[n+](CCc4ccc(OC)c(OC)c4)c3N)Oc3ccc4ccccc4c32)cc1,C09304321_decoy,ITAL,Decoy,0,-10.9662,-10.35,-2.44,-13.11493909156818
CCOC(=O)c1c(-c2cccs2)csc1NC(=O)c1c(S)n(-c2ccccc2C)c2ccc(C)c[n+]12,C03342689_decoy,ITAL,Decoy,0,-10.5733,-9.41,-4.0,-11.065680310079763
COc1ccc(CCN2CC(=O)N3[C@H](c4cc(OC)ccc4OC)[C@@H]4[NH+]=c5ccccc5=C4C[C@H]3C2=O)cc1,C63136942_decoy,ITAL,Decoy,0,-7.44657,-6.73,-2.6,-4.792061603429801
COc1ccc(CCN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@@H]3c3cccc(OC)c3OC)C2=O)cc1,C63137125_decoy,ITAL,Decoy,0,-8.52027,-5.33,-2.02,-5.709048867412871
CCCOc1ccc([C@@H]2CN3C(=O)N(c4cccc(F)c4)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C23)cc1OCC,C63373251_decoy,ITAL,Decoy,0,-8.00377,-5.35,-4.06,-5.909490931508696
Cc1cc(C)c(NC(=O)C2CCN(c3c(C(=O)N4CCC(C)CC4)c[nH+]c4snc(C)c34)CC2)c(C)c1,C65301193_decoy,ITAL,Decoy,0,-7.5085,-4.98,-3.86,-5.207120364874032
Cc1noc(C)c1CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CC[C@H](C)C3,C00707077_decoy,ITAL,Decoy,0,-7.6781,-6.06,-2.18,-5.846746758160755
O=C1N(CCOc2cccc3ccccc23)c2c(Cl)ccc(Cl)c2C12OCCCO2,C08818574_decoy,ITAL,Decoy,0,-8.58992,-10.12,-1.3,-12.080227970315631
COC(=O)Cn1/c(=N/C(=O)c2ccc(Br)s2)sc2cc(F)cc(F)c21,C09078751_decoy,ITAL,Decoy,0,-7.98731,-7.23,-2.35,-8.001290967978068
O=C(c1nc2ccccc2s1)N(/N=C/c1ccc(F)cc1)c1nc2ccccc2s1,C09148016_decoy,ITAL,Decoy,0,-9.22864,-9.1,-1.68,-8.723786425320725
CCOC(=O)[C@H]1[C@H](c2ccccc2)C2(C(=O)c3ccccc3C2=O)[C@H]2C=Cc3ccccc3N12,C09161423_decoy,ITAL,Decoy,0,-8.45719,-4.76,-1.22,-5.130979532638609
Cc1csc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@@H]2c2ccc(Cl)cc2)n1,C09303854_decoy,ITAL,Decoy,0,-9.23945,-4.86,-1.96,-4.572891292592451
Cn1/c(=N/C(=O)C(c2ccccc2)c2ccccc2)sc2cc(S(C)(=O)=O)ccc21,C09444919_decoy,ITAL,Decoy,0,-8.80865,-5.24,-1.65,-6.075386926702258
COc1ccc(Br)cc1/C=c1\sc(=C(C#N)C#N)n(-c2ccc(C)cc2C)c1=O,C03362029_decoy,ITAL,Decoy,0,-9.42795,-5.7,-3.23,-5.948373689587764
COc1cccc(-n2c(=O)c3c(C)c(C)sc3n(Cc3ccc(F)cc3Cl)c2=O)c1,C09599023_decoy,ITAL,Decoy,0,-9.17219,-7.65,-0.75,-8.6488775842497
COc1ccc2cc(CSc3nc4sc5c(c4c(=O)n3C)CCC5)c(Cl)nc2c1,C09955805_decoy,ITAL,Decoy,0,-8.32611,-7.81,-1.82,-6.6491250629004135
Clc1ccc(N2N=C(c3ccccc3)[C@@H](n3cncn3)[C@@H]2c2ccccc2)cc1Cl,C15220590_decoy,ITAL,Decoy,0,-9.36252,-4.38,-2.52,-4.937114507667372
Cc1cccnc1N1C(=O)c2oc3ccccc3c(=O)c2[C@@H]1c1cccc(Br)c1,C16736368_decoy,ITAL,Decoy,0,-7.71943,-9.66,-2.06,-8.881612327921237
CCN1/C(=C/C=c2/sc3nc4ccccc4n3c2=O)N(c2ccccc2)c2ccccc21,C19910461_decoy,ITAL,Decoy,0,-10.0738,-9.83,-2.15,-11.425964099633422
O=C1C[C@@H](c2cc(F)cc(F)c2)Cc2nc(N3CCN(c4ccc(F)cc4)CC3)ncc21,C20102046_decoy,ITAL,Decoy,0,-8.49737,-9.09,-2.73,-6.807656667477113
Cc1ccc(C)c(-n2c(SCC(=O)N3CCCC3)nc3sc4c(c3c2=O)CCCC4)c1,C03430850_decoy,ITAL,Decoy,0,-9.27309,-5.89,-2.46,-6.696507029583901
Cc1ccccc1-c1nnc(SCc2cc3c(cc2Br)OCCO3)n1C,C24472383_decoy,ITAL,Decoy,0,-8.17614,-8.79,-1.91,-7.570253159074143
COc1ccc([C@H]2C3=C(CCCC3=O)N=c3s/c(=C/c4ccc(F)cc4F)c(=O)n32)cc1,C28466300_decoy,ITAL,Decoy,0,-9.44251,-8.57,-2.56,-7.542354954390875
CC1=C(Cl)C(=O)C(Cl)=C(C)C1=N/C(=N/S(=O)(=O)c1ccccc1)c1ccccc1,C06146024_decoy,ITAL,Decoy,0,-8.43955,-9.82,-1.93,-9.878283351589753
C[C@H]1Oc2ccccc2C=C1/C=c1/sc2nc([C@@H]3[C@H](C=C(Cl)Cl)C3(C)C)nn2c1=O,C34107731_decoy,ITAL,Decoy,0,-7.60534,-5.67,-1.94,-3.750626183333966
C[C@H]1Oc2ccccc2C=C1/C=c1/sc2nc([C@H]3[C@H](C=C(Cl)Cl)C3(C)C)nn2c1=O,C34107733_decoy,ITAL,Decoy,0,-8.56935,-6.07,-1.71,-4.2475637130037525
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(C[C@@H]1CCCO1)[C@@H]3c1ccc(Br)cc1,C38591171_decoy,ITAL,Decoy,0,-9.27488,-6.91,-3.53,-7.176516179769302
O=C1C[C@H](c2nc(-c3ccc(F)c(Br)c3)no2)CN1c1cccc2c1CCCC2,C38913386_decoy,ITAL,Decoy,0,-7.80351,-9.11,-1.06,-6.798427097313177
CCc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2Cc2ccco2)cc1,C39839874_decoy,ITAL,Decoy,0,-8.6692,-5.46,,99.0
CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1,C39876003_decoy,ITAL,Decoy,0,-9.45708,-4.96,-1.85,-5.0915914979851005
CCc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2Cc2ccco2)cc1,C39913495_decoy,ITAL,Decoy,0,-7.89322,-5.53,-2.23,-5.343157594679054
Cc1c(Cc2ccccc2)c(=O)nc2s/c(=C\c3ccc(-c4ccc(F)cc4)o3)c(=O)n12,C40004337_decoy,ITAL,Decoy,0,-8.06026,-8.24,-4.4,-6.135951501354533
Cc1cccnc1N1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccccc1,C40008561_decoy,ITAL,Decoy,0,-8.55183,-5.62,-1.93,-4.87628358041571
Cc1cccc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)n1,C40055550_decoy,ITAL,Decoy,0,-9.73121,-4.98,-4.04,-4.99371870438511
Cc1ccc2c(=O)c3c(oc2c1C)C(=O)N(C[C@@H]1CCCO1)[C@@H]3c1cccc(Br)c1,C40063158_decoy,ITAL,Decoy,0,-9.60327,-5.29,-3.09,-5.394181239363067
Cc1ccc2c(=O)c3c(oc2c1C)C(=O)N(c1nc(C)c(C)s1)[C@@H]3c1ccccc1F,C40065000_decoy,ITAL,Decoy,0,-9.02125,-4.84,-1.58,-4.380977761837166
CSc1ccc([C@@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1,C40066312_decoy,ITAL,Decoy,0,-10.0135,-5.09,-1.69,-5.282401149355148
CSc1ccc([C@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2ccc(C)cn2)cc1,C40066313_decoy,ITAL,Decoy,0,-9.24589,-5.36,-2.17,-5.2170457318334265
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C(=O)C=C[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)C[C@@H]4O[C@@]43[C@]21C,C15778307_decoy,ITAL,Decoy,0,-8.2381,-4.79,-1.95,-5.46201260100567
Cc1c(C(=O)Oc2ccc(Cl)cc2)nnn1-c1ccc(I)cc1,C36639072_decoy,ITAL,Decoy,0,-6.79441,-7.18,-1.59,-4.320637274942087
CC(=O)O[C@H]1CC[C@@]2(C)[C@H](CC[C@H]3[C@H]2CC[C@@]2(C)[C@H]3C[C@H]3OC(C)(C)O[C@@]32C(C)=O)C1,C43765268_decoy,ITAL,Decoy,0,-7.84863,-4.47,-1.83,-4.605439795930987
CC(=O)O[C@@H]1C[C@@H]2C(C)(C)C(=O)C=C[C@@]2(C)[C@@H]2CC[C@]3(C)[C@H](c4ccoc4)C[C@@H]4O[C@@]43[C@]12C,C43875389_decoy,ITAL,Decoy,0,-7.28753,-5.06,-3.01,-4.890910025902363
Cc1ccc(CN2C(=O)CC[C@H]2c2nc(-c3ccc(F)c(Br)c3)no2)c(C)c1,C44431952_decoy,ITAL,Decoy,0,-8.51169,-10.75,-2.15,-9.255763597087215
Cc1ccc(-c2noc([C@@H]3CCC(=O)N3Cc3ccc(Br)cc3F)n2)c(C)c1,C44434452_decoy,ITAL,Decoy,0,-9.18952,-9.67,-2.29,-8.63512510857526
O=c1ccc2ccc(OS(=O)(=O)c3c(Cl)cc(Br)cc3Cl)cc2o1,C22454142_decoy,ITAL,Decoy,0,-9.79852,-8.69,-1.69,-8.897102334077593
Cc1cc(-n2c(SCC(=O)N3C[C@@H](C)C[C@H](C)C3)nc3ccsc3c2=O)ccc1F,C57489426_decoy,ITAL,Decoy,0,-8.67937,-8.12,-3.09,-9.287790844085205
COc1ccc2c(c1)CC/C(=C/c1csc(N(C(C)=O)c3ccc(F)cc3F)n1)C2=O,C21674833_decoy,ITAL,Decoy,0,-8.63816,-5.57,-1.84,-5.468972406841164
C[C@@H]1CN(C(=O)C2CCN(C(=O)c3cc4c(s3)CC[C@H](C(C)(C)C)C4)CC2)C[C@H](C)O1,C58787817_decoy,ITAL,Decoy,0,-8.20442,-7.5,-2.16,-8.69910810493683
O=C1[C@H]2[C@@H](ON(c3ccccc3)[C@H]2c2cccc(C(F)(F)F)c2)C(=O)N1c1ccccc1,C13811082_decoy,ITAL,Decoy,0,-8.77071,-11.58,-3.75,-9.325564765872384
CC(C)S(=O)(=O)c1cccc(C(=O)/N=c2\sc3cc(Br)ccc3n2C)c1,C12309196_decoy,ITAL,Decoy,0,-9.07857,-5.5,-2.58,-5.691501973589501
Cc1c(OCc2cc(Br)cc3c2OCOC3)ccc2c(=O)c(Cl)coc12,C41508551_decoy,ITAL,Decoy,0,-8.61337,-8.56,-2.56,-7.3539504389035875
COc1ccc(Br)cc1/C=C1\Oc2c(ccc3c2CN(C2CCCC2)CO3)C1=O,C41657397_decoy,ITAL,Decoy,0,-9.07979,-8.29,-1.73,-7.139819838792952
Cc1ccccc1[C@@H]1[C@@H]2C(=O)N(c3cccc(C(F)(F)F)c3)C(=O)[C@H]2ON1c1ccccc1,C18009398_decoy,ITAL,Decoy,0,-7.97541,-11.14,-2.42,-8.301617256511442
Cc1ccc(N2CCN(S(=O)(=O)C3=CC4=C5CCCCCC5=N[C@@H]4C=C3)CC2)c(C)c1,C63588361_decoy,ITAL,Decoy,0,-7.28575,-5.95,-1.96,-4.628620585292433
Cc1ccc(N2CCN(S(=O)(=O)C3=CC4=C5CCCCCC5=N[C@H]4C=C3)CC2)c(C)c1,C63588364_decoy,ITAL,Decoy,0,-8.54797,-7.02,-2.08,-7.927252213608036
Cc1ccc(Cl)cc1-n1ccn2c(SCc3ccc(F)cc3Cl)nnc2c1=O,C64593796_decoy,ITAL,Decoy,0,-7.8733,-8.59,-3.22,-7.247120472912286
Cc1cc(C)c(C)c(S(=O)(=O)N(C(=O)C(C)C)c2ccc3oc(=O)sc3c2)c1C,C03654188_decoy,ITAL,Decoy,0,-9.39089,-8.03,-2.14,-8.107851594228492
C/C(=N\OCc1nc2c3c4c(sc3ncn2n1)CCCC4)c1ccc(Br)cc1,C08440166_decoy,ITAL,Decoy,0,-9.58203,-5.67,-2.11,-6.015070247347398
Cc1ccc(S(=O)(=O)N2CCS[C@@H]2c2ccc3c4c(cccc24)CC3)cc1[N+](=O)[O-],C08834520_decoy,ITAL,Decoy,0,-6.65119,-10.63,-1.9,-11.334911187699282
COc1cccc2c1O[C@]1(CCOC(C)(C)C1)N1N=C(c3ccccc3OC(F)F)C[C@@H]21,C09007996_decoy,ITAL,Decoy,0,-7.69192,-5.73,-1.8,-5.077193729923771
CCc1nnc(N2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@H]2c2cccc(Cl)c2)s1,C02377266_decoy,ITAL,Decoy,0,-9.29005,-8.5,-2.56,-11.80522470165533
Cc1ccccc1Oc1nc2ccccn2c(=O)c1/C=C(\C#N)c1nc2ccccc2s1,C09215578_decoy,ITAL,Decoy,0,-9.91205,-10.91,-1.18,-11.213512530864392
Cc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cc(C)on2)cc1,C02330012_decoy,ITAL,Decoy,0,-8.83232,-5.25,-2.02,-5.015420679981383
Cc1ccc(-n2c(SCc3cc(=O)n4ccccc4n3)nc3ccsc3c2=O)cc1C,C02925224_decoy,ITAL,Decoy,0,-8.47363,-7.43,-2.9,-6.99330977953025
Cc1occc1-c1nnc(SCC(=O)N2c3ccccc3Sc3ccccc32)n1C,C12787462_decoy,ITAL,Decoy,0,-8.81386,-9.28,-1.98,-10.586179373802826
Cc1ccc(C)c(OS(=O)(=O)c2ccc(-n3ncc(Cl)c(Cl)c3=O)cc2)c1C,C12880531_decoy,ITAL,Decoy,0,-8.12518,-7.79,,99.0
CN(C)C(=O)Oc1ccc(C2C3=C(CC(C)(C)CC3=O)OC3=C2C(=O)CC(C)(C)C3)cc1,C00780586_decoy,ITAL,Decoy,0,-7.23907,-5.01,-1.47,-4.825494820846047
CCCSc1nnc2n(-c3ccc(C)cc3)c(=O)c3c4c(sc3n12)COC(C)(C)C4,C02272004_decoy,ITAL,Decoy,0,-7.81548,-5.77,-1.98,-5.232458087354018
Cn1c(=O)c2ccccc2n2c(SCC(=O)c3ccc4c(c3)-c3ccccc3C4)nnc12,C16321194_decoy,ITAL,Decoy,0,-7.48814,-9.68,-3.83,-7.585369385923508
Cc1nc2ccccc2c(=O)n1/N=C(/N=N/c1ccccc1Cl)c1ccccc1Cl,C17188691_decoy,ITAL,Decoy,0,-8.41116,-8.84,-2.48,-10.70892618839399
c1ccc(-n2ncc3c(N4CCN(C5c6ccccc6-c6ccccc65)CC4)ncnc32)cc1,C19313182_decoy,ITAL,Decoy,0,-8.40613,-8.95,-0.67,-8.460957199328975
C[C@H]1CCCCN1c1ncnc2c1sc1nc(N3CCCC3)c3c(c12)CC(C)(C)OC3,C20357905_decoy,ITAL,Decoy,0,-9.00633,-5.29,-2.32,-4.677564665231088
Cc1oc(-c2cccc(Cl)c2)nc1Cn1c(=O)cc(C)c2c(C)nn(-c3ccccc3)c21,C20996043_decoy,ITAL,Decoy,0,-8.70822,-10.03,-1.43,-8.510638865327198
Cc1ccc(-c2csc3ncn(Cc4nc(-c5ccccc5Cl)no4)c(=O)c23)s1,C24505632_decoy,ITAL,Decoy,0,-9.70471,-8.52,-3.57,-7.548147547715201
Cn1c(Sc2ncnc3scc(-c4ccc(Cl)cc4)c23)nnc1-c1ccncc1,C24770913_decoy,ITAL,Decoy,0,-9.0759,-5.06,-1.27,-5.567582404894278
CC1(C)Cc2nc3ncn4c(SCc5c(Cl)cccc5Cl)nnc4c3cc2CO1,C28443848_decoy,ITAL,Decoy,0,-8.98724,-8.65,-2.47,-6.899986140021398
COC(=O)c1c(C)cc2c(c(C)c1=O)O[C@]1(C2)[C@H](C)CC[C@@H]2C(C)(C)OC(=O)C=C[C@@]21C,C31161335_decoy,ITAL,Decoy,0,-7.98781,-5.2,,99.0
COC(=O)c1c(C)cc2c(c(C)c1=O)O[C@@]1(C2)[C@H](C)CC[C@@H]2C(C)(C)OC(=O)C=C[C@@]21C,C31161339_decoy,ITAL,Decoy,0,-8.00836,-5.66,-1.94,-4.607054610967992
COc1ccc(OC)c(/C=c2\sc3nc(-c4ccc(Cl)cc4Cl)nn3c2=O)c1,C34107636_decoy,ITAL,Decoy,0,-8.34619,-7.35,-1.81,-8.935726586766721
Cc1cccc(S(=O)(=O)N2CCN(C3=Nc4ccccc4Oc4ccccc43)C[C@@H]2C)c1,C34814547_decoy,ITAL,Decoy,0,-8.42894,-9.97,-3.86,-7.652815521573977
CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nc(C)c(C)s1)[C@H]3c1ccc(F)cc1,C38727677_decoy,ITAL,Decoy,0,-8.4526,-4.75,-3.94,-4.832128482723064
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(F)c1)N(c1nnc(CC)s1)C3=O,C38731189_decoy,ITAL,Decoy,0,-8.07209,-4.2,-3.59,-5.146875391530229
Cc1ccc(C)c2sc(N(C[C@@H]3CCCO3)C(=O)[C@H]3Oc4ccccc4O[C@H]3C)nc12,C38840273_decoy,ITAL,Decoy,0,-8.27722,-9.9,-1.73,-9.16814231730396
Cc1c(Cl)c2c(n1F)-c1nc3ccccc3c(S(=O)(=O)Oc3ccccc3)c1C(=O)CC2,C39457647_decoy,ITAL,Decoy,0,-7.30288,-5.54,-1.8,-5.3726858370790085
CCCc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2ccc(Cl)c(Cl)c2)s1,C39837620_decoy,ITAL,Decoy,0,-8.85527,-5.09,-1.89,-5.548069404911271
COc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(C)cc2)cc1OC,C39873772_decoy,ITAL,Decoy,0,-9.02161,-6.85,-1.06,-6.6391746606790285
COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(F)cc2)cc1OC,C39879168_decoy,ITAL,Decoy,0,-8.33416,-5.24,-1.14,-5.397794100368638
COc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2cccc(C)c2)cc1OC,C39879180_decoy,ITAL,Decoy,0,-9.0247,-10.84,-3.13,-9.642787170940618
COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C(C)=O)cc2)cc1,C39879629_decoy,ITAL,Decoy,0,-9.09772,-4.31,-1.69,-4.512677602292498
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(F)cc1)N(c1nnc(C(C)C)s1)C3=O,C40008666_decoy,ITAL,Decoy,0,-9.03236,-4.71,-1.77,-4.85117343785276
CCCc1nnc(N2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3[C@@H]2c2ccc(C)cc2)s1,C40057133_decoy,ITAL,Decoy,0,-8.65569,-6.08,-3.65,-5.270045936866977
CCCc1nnc(N2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3[C@@H]2c2ccc(F)cc2)s1,C40057462_decoy,ITAL,Decoy,0,-8.45462,-5.8,-3.85,-6.156550540100896
CCOc1cccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2c2cccc(C)n2)c1,C40061300_decoy,ITAL,Decoy,0,-8.63777,-10.15,-3.48,-11.157334766079018
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(c1nnc(C)s1)[C@H]3c1ccc(C(C)C)cc1,C40061883_decoy,ITAL,Decoy,0,-8.84333,-5.66,-3.27,-5.222742800845654
CCc1nnc(N2C(=O)c3oc4cc(C)cc(C)c4c(=O)c3[C@@H]2c2ccc(SC)cc2)s1,C40062063_decoy,ITAL,Decoy,0,-9.381,-5.68,-2.56,-5.911015924822536
Cc1nnc(N2C(=O)c3oc4c(C)c(C)ccc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)s1,C40063540_decoy,ITAL,Decoy,0,-9.61728,-9.84,-2.11,-9.243717401636744
CCc1nnc(N2C(=O)c3oc4c(C)c(C)ccc4c(=O)c3[C@@H]2c2cccc(Cl)c2)s1,C40065133_decoy,ITAL,Decoy,0,-8.21403,-5.33,-1.53,-5.079449943925924
COc1ccc([C@H]2[C@H]3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@H]3c2cccs2)cc1,C50479176_decoy,ITAL,Decoy,0,-9.25564,-4.55,-3.81,-4.863791915004595
Cc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3cccnc3)[C@@H]1[C@H](c1ccc(C(C)C)cc1)O2,C50631669_decoy,ITAL,Decoy,0,-8.38896,-4.5,-3.72,-4.45256654515124
C[C@@H]1CCc2c(sc3ncnc(N4CCN(Cc5csc(-c6ccco6)n5)CC4)c23)C1,C12736760_decoy,ITAL,Decoy,0,-9.2916,-8.42,-0.99,-8.602180744659949
Cc1ccc(C2=Nc3nnnn3[C@H](c3cc(Br)ccc3OC(F)F)C2)cc1,C02918857_decoy,ITAL,Decoy,0,-7.71846,-9.17,-0.14,-8.134630849566772
Cc1ccc(-n2c(SCc3nc4ccccc4c(=O)n3C)nc3ccccc3c2=O)c(C)c1,C28080924_decoy,ITAL,Decoy,0,-7.39356,-6.83,-1.93,-6.693136041528257
COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)c1ccccc1[N+](=O)[O-],C59428135_decoy,ITAL,Decoy,0,-5.8602,-5.11,-1.41,-4.569742593578523
COc1cccc([C@H]2[C@@H]3C(=O)N(c4ccc(C)c(Cl)c4)C(=O)[C@H]3ON2c2ccccc2)c1,C13658988_decoy,ITAL,Decoy,0,-9.50268,-9.54,-1.77,-8.283465579928711
Cn1c(=O)c2c(-c3ccc(Cl)cc3)n3c(c2n(C)c1=O)[C@@H](c1ccccc1F)OCC3(C)C,C64788114_decoy,ITAL,Decoy,0,-7.28939,-4.62,-2.39,-4.228367864828037
Cc1cccc(-c2c3c(=O)n(C)c(=O)n(C)c3c3n2CCO[C@@H]3c2c(C)cc(C)cc2C)c1,C64788252_decoy,ITAL,Decoy,0,-7.9601,-5.39,-1.57,-4.678706083699152
Cc1c(C(=O)N(C)C23CC4CC(CC(C4)C2)C3)c(-c2ccccc2)nn1-c1ccccc1,C04007345_decoy,ITAL,Decoy,0,-8.70805,-5.99,-2.91,-5.805130639846287
CC(=O)O[C@H]1CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@@H]3C[C@@H]3O[C@@]32C1,C04027531_decoy,ITAL,Decoy,0,-8.4065,-4.49,-1.72,-4.614993711108235
CC(=O)O[C@@H]1CC[C@]2(C)[C@@H]3CC[C@@]4(C)[C@@H](C[C@@H]5CCCC[C@]54C(C)=O)[C@H]3C[C@@H]3O[C@@]32C1,C05383387_decoy,ITAL,Decoy,0,-8.41117,-7.65,-2.37,-6.718932146457157
Cc1c(C2=CCN(S(=O)(=O)c3ccc(C(C)(C)C)cc3)CC2)c2ccccc2n1C,C04901082_decoy,ITAL,Decoy,0,-8.23496,-10.4,-2.45,-7.84669542516268
Cc1cccc(N2C[C@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1,C08752392_decoy,ITAL,Decoy,0,-8.75677,-9.55,-1.72,-9.15702577479974
Cc1cccc(N2C[C@@H](c3nc4ccccc4n3Cc3c(F)cccc3Cl)CC2=O)c1,C08752395_decoy,ITAL,Decoy,0,-8.37515,-9.94,-1.39,-7.933819774995366
Cn1/c(=N/S(=O)(=O)c2ccc(Cl)s2)sc2cccc(Br)c21,C08967492_decoy,ITAL,Decoy,0,-8.64476,-7.86,-1.03,-7.084036586620472
Cc1ccc(/C=C(/C#N)c2nc(-c3cc4c(ccc5ccccc54)oc3=O)cs2)s1,C08990003_decoy,ITAL,Decoy,0,-9.1985,-8.73,-1.76,-7.639698561246047
COc1cccc(C(=O)N2c3cc(OC)ccc3-c3c(ssc3=S)C2(C)C)c1,C01229006_decoy,ITAL,Decoy,0,-5.95787,-4.75,-2.43,-3.84710186361391
O=c1c2sccc2n(Cc2ccc(F)cc2Cl)c(=O)n1-c1ccc(F)c(Cl)c1,C09598655_decoy,ITAL,Decoy,0,-9.65657,-9.66,-2.62,-10.18487647934369
O=C(c1cccc(Br)c1)N(Cc1ccco1)c1nc2c(F)cccc2s1,C10527681_decoy,ITAL,Decoy,0,-9.4362,-9.17,-3.61,-9.906957605173927
Cc1ccc2nc(N(Cc3ccco3)C(=O)c3ccc(Br)cc3)sc2c1,C10528427_decoy,ITAL,Decoy,0,-10.0659,-8.99,-2.81,-11.591204234182218
O=C1c2ccccc2O[C@H](c2ccccc2)[C@@]12N=NC[C@H]2c1ccc(Br)cc1,C12366808_decoy,ITAL,Decoy,0,-9.46268,-8.28,-1.44,-7.509255473324845
Cc1c(-c2ccccc2)sc2ncn(CC(=O)c3ccc(Br)s3)c(=O)c12,C13121431_decoy,ITAL,Decoy,0,-9.22957,-6.29,-1.46,-6.611929205206236
Cc1nc2sc3c(c2c(=O)n1/N=C/c1c2ccccc2cc2ccccc12)CCCC3,C03189382_decoy,ITAL,Decoy,0,-8.59617,-7.44,-2.67,-5.818844708099968
COc1cccc2cc(-c3nc(-c4ccc(Br)cc4)c(C)s3)c(=O)oc12,C02964182_decoy,ITAL,Decoy,0,-8.59549,-8.05,,99.0
O=[N+]([O-])c1cc(/C=N/c2ccc(I)cc2)ccc1Br,C15134783_decoy,ITAL,Decoy,0,-6.67381,-3.99,-1.48,-3.963725715476576
COc1ccc2cc(/C=C3\CCn4c3nc3cc(C(F)(F)F)ccc3c4=O)ccc2c1,C16386257_decoy,ITAL,Decoy,0,-7.80202,-7.04,-2.56,-5.649938666352909
COc1cnc([C@@H]2CC[C@@H]3[C@@H]4CC=C5C[C@@H](OC(C)=O)CC[C@@]5(C)[C@@H]4CC[C@@]32C)s1,C17219610_decoy,ITAL,Decoy,0,-9.13486,-4.02,-1.4,-5.3016368724519145
CCOc1ccc(-c2nn(-c3ccc(C)c(C)c3)c3c2cnc2c(F)cc(F)cc23)cc1,C09676129_decoy,ITAL,Decoy,0,-6.87968,-6.09,-2.0,-4.806477735207597
Cc1ccc(Cl)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(F)cc3F)nc12,C22890361_decoy,ITAL,Decoy,0,-9.52763,-8.63,-2.49,-12.700375111661335
CCC1=C(C)Cc2sc3c(c21)c(=O)n(C1CCCC1)c(=O)n3Cc1ccc(F)cc1,C34731570_decoy,ITAL,Decoy,0,-7.40784,-5.69,-1.15,-5.0889537829432445
N#C/C(=C\C1=Cc2ccccc2O[C@H]1c1ccccc1)S(=O)(=O)c1ccc(Cl)cc1,C34981700_decoy,ITAL,Decoy,0,-8.14997,-10.47,-3.63,-9.366352107765614
Cc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2Cc2ccc(F)cc2)cc1,C38590657_decoy,ITAL,Decoy,0,-10.0149,-6.17,-1.96,-6.139951238315076
O=C(c1ccc(F)cc1Cl)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1,C38839577_decoy,ITAL,Decoy,0,-9.64411,-9.01,-2.2,-11.08278480996307
COc1c2c(n(SC)c1C)-c1nc3ccccc3c(Cc3ccccc3)c1C(=O)CC2,C39456435_decoy,ITAL,Decoy,0,-8.90111,-5.26,-1.33,-6.37229341222591
COn1c(C)c(SC)c2c1-c1nc3ccccc3c(Cc3ccccc3)c1C(=O)CC2,C39456445_decoy,ITAL,Decoy,0,-8.40721,-6.13,-1.73,-6.182280017590649
COc1c2c(n(Cc3ccccc3)c1C)-c1nc3ccccc3c(SC)c1C(=O)CC2,C39456775_decoy,ITAL,Decoy,0,-8.32436,-5.59,-1.15,-5.928342636057524
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@@H](c2ccc(F)cc2)N1Cc1ccc(F)cc1,C39825121_decoy,ITAL,Decoy,0,-8.41939,-6.85,-1.65,-6.311244822136229
Cc1ccc(CN2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@H]2c2ccc(F)cc2)cc1,C39826030_decoy,ITAL,Decoy,0,-8.78323,-6.66,-1.69,-6.490738591772851
O=C1c2oc3ccc(Cl)cc3c(=O)c2[C@H](c2ccc(F)cc2)N1c1ccc(F)cc1,C39873575_decoy,ITAL,Decoy,0,-8.45677,-5.21,-2.47,-4.664035297184418
CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1,C39876233_decoy,ITAL,Decoy,0,-9.52177,-7.69,-1.72,-7.066026113498285
CCc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(CC)cc2)cc1,C39876249_decoy,ITAL,Decoy,0,-9.28037,-7.32,-1.21,-6.703359937427163
CCCN1C(=O)c2oc3c(C)cc(C)cc3c(=O)c2[C@@H]1c1cccc(Br)c1,C39910449_decoy,ITAL,Decoy,0,-8.80245,-9.96,-2.33,-10.455787469139574
CC[C@H](C)N1C(=O)/C(=C2\C(=O)N(Cc3ccccc3Cl)c3ccccc32)SC1=S,C01477105_decoy,ITAL,Decoy,0,-9.36591,-5.15,-2.78,-6.148251608206986
O=C1C(Br)=C/C(=N\S(=O)(=O)c2cccc3ccccc23)c2ccccc21,C26510246_decoy,ITAL,Decoy,0,-8.71261,-8.5,-1.39,-9.709132148785104
C=CCN1C(=O)c2oc3ccc(CC)cc3c(=O)c2[C@H]1c1cccc(Br)c1,C40041843_decoy,ITAL,Decoy,0,-8.99412,-5.44,-3.63,-5.5110030126980005
Cc1cc2c(cc1Cl)C(=O)/C(=C/c1cn(-c3ccccc3)nc1-c1ccc(F)cc1)O2,C40055459_decoy,ITAL,Decoy,0,-7.64948,-6.89,-4.3,-5.457156387061089
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCc1ccccc1)[C@@H]3c1ccc(F)cc1,C40057448_decoy,ITAL,Decoy,0,-8.8432,-5.12,,99.0
CCCN1C(=O)c2oc3c(C)c(C)ccc3c(=O)c2[C@H]1c1cccc(Br)c1,C40063194_decoy,ITAL,Decoy,0,-8.67843,-10.01,-2.27,-12.330631745428798
Cc1ccc(C)c(Cn2c([C@H]3CC(=O)N(c4cc(C)ccc4C)C3)nc3ccccc32)c1,C40252106_decoy,ITAL,Decoy,0,-7.81281,-10.04,-1.91,-8.377560895989246
Cc1ccc(N2C[C@H](c3nc4ccccc4n3Cc3c(Cl)cccc3Cl)CC2=O)cc1,C40255608_decoy,ITAL,Decoy,0,-8.54188,-9.54,-3.29,-10.362432974391128
O=C(Oc1ccc(I)cc1)c1cc(-c2ccc(F)c(F)c2)on1,C40986728_decoy,ITAL,Decoy,0,-6.83474,-7.69,-2.22,-4.540738497094505
CCN(C(=O)c1c(-n2cccc2)sc2c1CCSC2)c1nc2ccccc2s1,C46566911_decoy,ITAL,Decoy,0,-8.85565,-5.94,-2.44,-6.772703106750557
Cc1nn(-c2ccccc2)c2c1[C@@H](c1ccc(F)cc1)[C@@H]1C(=O)C=C(c3ccccc3)CC1=N2,C12312032_decoy,ITAL,Decoy,0,-7.31925,-6.64,-3.34,-5.047773703667921
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccc(F)cc1)[C@@H]1C(=O)C=C(c3ccccc3)CC1=N2,C12312031_decoy,ITAL,Decoy,0,-9.19444,-5.34,-1.73,-5.821620508329215
CCCCN1C(=O)/C(=C2\SC(=S)N(c3cccc(C)c3C)C2=O)c2ccccc21,C33397207_decoy,ITAL,Decoy,0,-8.83472,-4.8,-1.55,-5.244371869454183
Cc1c2c(cc3c1O/C(=C\c1cccc(Br)c1)C3=O)CN(CC(C)C)CO2,C41587763_decoy,ITAL,Decoy,0,-7.68792,-6.07,-1.27,-4.802822541942695
Cc1cc2c(c3c1C(=O)/C(=C/c1ccccc1Cl)O3)CN([C@@H](C)c1ccccc1)CO2,C41644735_decoy,ITAL,Decoy,0,-7.62916,-6.17,-2.01,-5.062002160812661
Cc1nn(C)c2nc(OCc3ccc(Br)cc3F)cc(-c3ccccc3)c12,C45995234_decoy,ITAL,Decoy,0,-8.71194,-7.75,-2.57,-7.686223106953529
Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)Nc2nc3ccc(S(C)(=O)=O)cc3s2)cc1,C03430478_decoy,ITAL,Decoy,0,-9.37688,-8.55,-2.24,-8.323594375326987
O=C(CSc1nc2scc(-c3ccco3)c2c(=O)n1-c1ccccc1)Nc1cccc2ccccc12,C08433115_decoy,ITAL,Decoy,0,-8.90595,-7.43,-3.11,-7.833887526185029
Cc1ccc(C)c(-n2c(CNC(=O)C34CC5CC(CC(C5)C3)C4)nnc2SCC(=O)c2ccccc2)c1,C08793480_decoy,ITAL,Decoy,0,-10.0227,-7.41,-3.61,-8.029107196733193
C[C@@H](CCc1ccccc1)NC(=O)CSc1nnc2c3c4c(sc3nc(-c3ccccc3)n12)CCC4,C02325834_decoy,ITAL,Decoy,0,-9.2854,-9.11,-2.32,-14.64471707159366
C/C(=N/NC(=O)CSc1nnc(-c2ccccc2)n1-c1ccc(C)cc1)c1cccc(Br)c1,C09064997_decoy,ITAL,Decoy,0,-9.69488,-5.47,-3.49,-6.1567758268809
CSc1ccc(/C=N/NC(=O)CSc2nnc(-c3ccc(C)cc3)n2-c2ccc(Cl)cc2)cc1,C01829619_decoy,ITAL,Decoy,0,-9.76886,-8.96,-2.17,-12.036668610618406
CCCOc1ccccc1[C@H]1C2=C(C[C@@H](c3ccc(OC)cc3)CC2=O)Nc2ccccc2N1C(=O)CC,C09327510_decoy,ITAL,Decoy,0,-7.82392,-7.88,-1.96,-7.626233023273862
Cc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Br)s3)nnc2-c2ccccc2)cc1,C01750675_decoy,ITAL,Decoy,0,-10.156,-5.26,-2.68,-6.738141672665677
Cc1ccc(-n2c(SCC(=O)N/N=C/c3sccc3C)nc3sc4c(c3c2=O)CCCC4)cc1,C02223821_decoy,ITAL,Decoy,0,-9.06096,-6.34,-3.99,-6.897388656239436
O=C(CSc1nc2ccccc2c(=O)n1-c1ccc(Oc2ccccc2)cc1)Nc1cc(F)ccc1F,C02635920_decoy,ITAL,Decoy,0,-8.9261,-9.19,-4.27,-8.520116587703985
CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3CC)nc3sc4c(c3c2=O)CCCC4)cc1,C02261797_decoy,ITAL,Decoy,0,-9.48712,-9.05,-3.73,-9.922891702263692
Cc1cccc(COC(=O)c2ccc([C@@H]3Nc4ccccc4S(=O)(=O)N3Cc3ccccc3C)cc2)c1,C15868400_decoy,ITAL,Decoy,0,-9.36638,-9.02,-4.79,-7.967784274957276
Cc1cccc(COC(=O)c2ccc([C@H]3Nc4ccccc4S(=O)(=O)N3Cc3ccccc3C)cc2)c1,C15868401_decoy,ITAL,Decoy,0,-7.97622,-9.35,-3.95,-7.929596799627824
CCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)C12CC3CC(CC(C3)C1)C2,C16433277_decoy,ITAL,Decoy,0,-8.91268,-8.03,-4.2,-8.718048549632165
CC(C)N(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)Nc1ccc(Br)cc1,C16498511_decoy,ITAL,Decoy,0,-7.71268,-7.87,-3.15,-6.952825436098592
CCOC(=O)C1=C(C)N(Cc2ccc(C(=O)Nc3ccc(C)c(C)c3)cc2)C(=O)C[C@@H]1c1ccc(F)cc1,C16602813_decoy,ITAL,Decoy,0,-9.40805,-8.71,-2.23,-8.51542908404426
Cc1ccc(Cc2c(C)nc3nc(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nn3c2C)cc1,C03038420_decoy,ITAL,Decoy,0,-8.15879,-8.97,-1.66,-7.385194040629463
COc1ccc2c(Cl)c(C(=O)N/N=C/c3cn(-c4ccccc4)nc3-c3ccc(F)cc3)sc2c1,C25584144_decoy,ITAL,Decoy,0,-8.06208,-7.08,-2.69,-5.938387220326786
CC(C)C(=O)N[C@@H](Oc1ccc(/C=c2\sc3nc4ccccc4n3c2=O)cc1)C(Cl)(Cl)Cl,C27025757_decoy,ITAL,Decoy,0,-7.98609,-8.16,-3.85,-7.482056823796255
Cc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(C)cc4C)S3)[C@@H](c3ccc(C)cc3)C2)cc1,C28068280_decoy,ITAL,Decoy,0,-8.36371,-5.75,-3.62,-6.43394718723024
CCc1ccc([C@H]2CC(c3ccc(C)cc3)=NN2C2=NC(=O)[C@@H](CC(=O)Nc3ccc(F)cc3)S2)cc1,C28155948_decoy,ITAL,Decoy,0,-8.80365,-9.17,-3.2,-8.320754306726132
CCc1ccc([C@H]2CC(c3ccc(F)cc3)=NN2C2=NC(=O)[C@H](CC(=O)Nc3ccc(C)cc3)S2)cc1,C28157428_decoy,ITAL,Decoy,0,-8.20808,-7.17,-2.16,-7.475516078186515
Cc1ccc(-n2c(SCC(=O)N/N=C\c3cccc(F)c3)nc3sc4c(c3c2=O)CCCC4)cc1,C32577040_decoy,ITAL,Decoy,0,-8.33132,-6.39,-3.61,-5.839217185697287
C[C@H]1[C@@H](NC(=O)COc2ccc3c(=O)c(Oc4ccc(F)cc4)c(C(F)(F)F)oc3c2)CCC[C@@H]1C,C32655492_decoy,ITAL,Decoy,0,-7.98717,-7.35,-2.63,-8.501348215646491
Cc1cc(C)cc(-n2c(SCC(=O)c3cc(C)ccc3C)nc3cc(C(=O)NC(C)C)ccc3c2=O)c1,C32944374_decoy,ITAL,Decoy,0,-8.79771,-9.5,-2.21,-10.441597111088074
CCC1=C(C)Cc2sc3c(c21)c(=O)n(Cc1ccc(C)cc1C)c(=O)n3CC(=O)Nc1ccccc1C,C34733358_decoy,ITAL,Decoy,0,-8.70585,-9.28,-3.58,-8.68851322759138
CC[C@@H](c1nc2ccccc2c(=O)n1-c1cccc(C)c1)N(CC)C(=O)Nc1cccc(Br)c1,C35066053_decoy,ITAL,Decoy,0,-8.09652,-9.39,-2.04,-8.668553595692746
Cc1ccc(-n2c(SCc3ccccc3C)nnc2[C@@H](C)NS(=O)(=O)c2c(C)cc(C)cc2C)cc1,C35246106_decoy,ITAL,Decoy,0,-7.69704,-9.21,-1.67,-9.469477281515466
Cc1ccc(N2CCCN(Cc3cc(F)ccc3Cl)C2=O)c(NS(=O)(=O)c2ccc(C)c(F)c2)c1,C35916261_decoy,ITAL,Decoy,0,-8.23284,-10.41,-2.41,-8.774193575423238
CCCNC(=O)CN1C(=O)CS[C@H](c2ccccc2F)c2c(C(C)(C)C)nn(-c3ccccc3C)c21,C37264021_decoy,ITAL,Decoy,0,-7.82232,-4.47,-2.51,-4.455058603185963
COc1ccc(NC(=O)c2ccc(CSc3nnc(-c4cccs4)n3-c3ccccc3F)cc2)cc1,C37398629_decoy,ITAL,Decoy,0,-9.74209,-8.02,-2.24,-9.98863032132705
Cc1ccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)NC2CC2)C(=O)CS[C@H]3c2cccc(F)c2)c(C)c1,C37427039_decoy,ITAL,Decoy,0,-9.36067,-4.52,-4.25,-5.986430096735677
Cc1cccc([C@@H]2SCC(=O)N(CC(=O)NC3CC3)c3c2c(-c2ccccc2)nn3-c2cccc(C)c2)c1,C37427361_decoy,ITAL,Decoy,0,-9.49672,-4.88,-2.7,-5.893199367034572
COc1ccc(C(=O)c2oc3ccccc3c2NC(=O)[C@@H](C)Oc2ccc(F)cc2)cc1Br,C38615761_decoy,ITAL,Decoy,0,-7.54381,-5.11,-2.97,-4.918335722452472
COc1ccc(CCNC(=O)[C@@]23CC[C@@](C)(c4nc5cc(Cl)c(Cl)cc5nc42)C3(C)C)cc1OC,C33772189_decoy,ITAL,Decoy,0,-8.27466,-6.54,-2.7,-6.220929965217096
C=CCn1c(SCC(=O)Nc2sc3c(c2C#N)CCCC3)nnc1-c1csc2c1CCCCC2,C39966598_decoy,ITAL,Decoy,0,-10.9346,-8.18,-4.96,-8.624873350209045
O=C(CSc1nnc(-c2csc3c2CCCCC3)n1C[C@H]1CCCO1)Nc1ccc(Cl)cc1F,C39966936_decoy,ITAL,Decoy,0,-11.1926,-8.61,-3.67,-9.46480071369922
O=C(CSc1nnc(-c2csc3c2CCCCC3)n1C[C@H]1CCCO1)Nc1cccc(Cl)c1F,C39966962_decoy,ITAL,Decoy,0,-10.837,-9.61,-4.44,-10.622727673670727
CCN(c1ccccc1)S(=O)(=O)c1ccc(NC(=O)c2oc3ccc(Br)cc3c2C)cc1,C40037963_decoy,ITAL,Decoy,0,-8.36663,-7.14,-2.27,-6.300378549305755
Cc1ccc(C(=O)N/N=C2\C(=O)N(CCCOc3ccc(Br)cc3)c3ccc(C)cc32)cc1,C40138562_decoy,ITAL,Decoy,0,-7.60946,-8.89,-2.92,-8.334310485045714
CC[C@H](Oc1c(-c2ccc(OC)cc2)oc2ccccc2c1=O)C(=O)Nc1ccc(Br)cc1,C40168802_decoy,ITAL,Decoy,0,-8.66204,-5.67,-3.66,-6.015714508158816
CCOC(=O)C1=C(NC(=O)COc2ccccc2Cl)Oc2ccc3ccccc3c2[C@@H]1c1ccccc1,C40844577_decoy,ITAL,Decoy,0,-8.30724,-8.75,-2.3,-8.459734478075065
CCOC(=O)C1=C(NC(=O)COc2ccccc2Cl)Oc2ccc3ccccc3c2[C@H]1c1ccccc1,C40844578_decoy,ITAL,Decoy,0,-9.06187,-8.83,-1.94,-8.465704013358506
CCCSc1nc2n(n1)[C@@H](c1cccc(OCc3ccccc3Cl)c1)C1=C(CC(C)(C)CC1=O)N2,C40982076_decoy,ITAL,Decoy,0,-9.61889,-9.52,-2.82,-10.2476155184034
CCCSc1nc2n(n1)[C@H](c1cccc(OCc3ccc(Cl)cc3Cl)c1)C1=C(CCCC1=O)N2,C40982085_decoy,ITAL,Decoy,0,-10.4312,-5.64,-2.41,-6.1113856110058284
CC(=O)NC[C@H](C)CCc1nnc2c(c1C)[C@]1(C)CC[C@H]3[C@H](CC=C4C[C@@H](OC(C)=O)CC[C@]43C)[C@@H]1C2,C43735644_decoy,ITAL,Decoy,0,-6.71409,-5.22,-2.23,-4.849262029104606
COc1cccc(NC(=O)CSc2nc3c(c(=O)n2-c2ccccc2)C2(CCCCC2)Cc2ccccc2-3)c1,C01742157_decoy,ITAL,Decoy,0,-8.32739,-5.44,-3.56,-5.908843001503866
CC(=O)C1=C(C)Nc2nc(SCc3ccccc3)nn2[C@H]1c1cn(Cc2ccccc2)c2ccccc12,C54643530_decoy,ITAL,Decoy,0,-8.87082,-5.86,-3.91,-5.995048295861468
Cc1ccc(-c2ccccc2)n1-c1ccc(C(=O)N/N=C/c2cc(Br)ccc2OCC#N)cc1,C59304075_decoy,ITAL,Decoy,0,-8.15081,-5.78,-3.77,-5.449426869326226
C#CCOc1ccccc1/C=c1/sc2n(c1=O)[C@@H](c1cccs1)C(C(=O)Nc1ccccc1)=C(C)N=2,C59638946_decoy,ITAL,Decoy,0,-9.32033,-7.62,-2.84,-7.221514079767428
COc1cc([C@@H]2Nc3ccc4ccccc4c3C3=C2C(=O)CC(C)(C)C3)ccc1OCc1ccccc1F,C02186237_decoy,ITAL,Decoy,0,-7.87042,-10.09,-3.36,-8.996306257160818
CCCCc1ccc(-c2cc(C(=O)NC[C@H]3CCCO3)c3cc(Br)ccc3n2)cc1,C02789148_decoy,ITAL,Decoy,0,-9.2309,-7.56,-3.01,-7.217210808796313
O=C(N/N=C/c1cc(-c2ccccc2)n(-c2ccc(Br)cc2)c1-c1ccccc1)c1ccccc1,C03668107_decoy,ITAL,Decoy,0,-10.2013,-8.86,-2.23,-11.3395962626773
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cc(-c2ccc(Br)s2)nc2ccccc12,C09598073_decoy,ITAL,Decoy,0,-7.36858,-9.22,-1.59,-6.495091597345595
C=CCNC(=S)c1c(-c2ccc(OC)cc2)c2c3n(c(-c4ccc(Cl)cc4)cn13)CCCC2,C12370980_decoy,ITAL,Decoy,0,-9.30405,-5.17,-2.69,-5.719251519614935
O=C(COc1ccc2cc(Br)ccc2c1Br)N/N=C/c1ccc2ccccc2c1,C12491325_decoy,ITAL,Decoy,0,-9.55059,-10.17,-2.63,-8.263178472169427
C[C@H](OC(=O)c1ccc(I)cc1)C(=O)Nc1cc(Cl)c(Cl)cc1Cl,C03271448_decoy,ITAL,Decoy,0,-8.17591,-7.5,-1.33,-7.785245986818105
Cc1ccc(NC(=O)[C@H](C)Sc2nc(-c3ccccc3)cc(-c3ccccc3Cl)c2C#N)cc1,C06245227_decoy,ITAL,Decoy,0,-10.69,-9.61,-2.11,-10.86172198689005
O=C(CSc1nc(-c2ccccc2)c(-c2ccccc2)n1-c1ccccc1)Nc1cccc(F)c1,C12546464_decoy,ITAL,Decoy,0,-9.94574,-8.03,-3.64,-9.452435451129594
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cc(Br)ccc1OC(F)F,C13959804_decoy,ITAL,Decoy,0,-9.01563,-8.63,-1.91,-10.426539563720024
COc1ccc(C(=O)Nc2nc(-c3ccc(C)c(C)c3)c(-c3ccccc3)s2)cc1Br,C14406254_decoy,ITAL,Decoy,0,-8.62871,-8.26,-1.41,-7.55978511760954
CCCN(CCC)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1c3ccccc3cc3ccccc13)N2,C14549470_decoy,ITAL,Decoy,0,-10.1695,-8.79,-1.37,-11.0749430683724
COc1cc([C@H]2CC(=O)Nc3sc4c(c32)CC[C@@H](C(C)(C)C)C4)ccc1OCc1ccccc1F,C15106929_decoy,ITAL,Decoy,0,-9.76335,-5.73,-3.72,-6.291307738533938
O=c1cc(-c2ccccc2)cc(-c2ccccc2)n1[C@@H](c1ccccc1Cl)[C@@H](O)c1ccccc1,C15770478_decoy,ITAL,Decoy,0,-8.31376,-6.2,-3.05,-6.686160623467752
N#C/C(=C\c1cccc(Oc2ccccc2)c1)C(=O)Nc1cccc(I)c1,C16157801_decoy,ITAL,Decoy,0,-7.8692,-9.02,-2.61,-7.647252916189714
COc1ccc(Br)cc1/C=C/C(=O)Nc1ccc(-c2nc3ccc(C)cc3s2)cc1,C18052051_decoy,ITAL,Decoy,0,-8.43112,-6.51,-2.8,-5.599038888189657
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1ccccc1I,C00675596_decoy,ITAL,Decoy,0,-7.73265,-5.25,-2.73,-5.495022484075869
CC[C@H](C)OC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@@H]1c1ccccc1F,C20573286_decoy,ITAL,Decoy,0,-7.91767,-5.84,-3.29,-6.339946864063605
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc3ccccc13)N2,C20698529_decoy,ITAL,Decoy,0,-7.96178,-7.97,-1.75,-6.830639941115174
CN(Cc1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1c(Cl)cccc1Cl)N2,C20749843_decoy,ITAL,Decoy,0,-9.52736,-9.72,-2.85,-13.267240685605753
CC(C)COc1ccc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2ccc(F)c(Br)c2)cc1,C21226415_decoy,ITAL,Decoy,0,-7.36247,-5.16,-3.62,-5.217574897243503
O=C(C=C(Sc1ccccc1)Sc1ccccc1)N/N=C/c1ccc(Br)cc1,C21316118_decoy,ITAL,Decoy,0,-7.40714,-8.05,-2.94,-7.426638565656089
CC[C@H](C)c1ccc2oc(-c3ccc(C)c(NC(=O)c4c(F)c(F)c(F)c(F)c4F)c3)nc2c1,C22710216_decoy,ITAL,Decoy,0,-8.26248,-6.0,-2.91,-5.358561503126124
O=C(CSc1nc(SCc2ccccc2)nc2sc3c(c12)CCCC3)Nc1ccccc1,C24545993_decoy,ITAL,Decoy,0,-9.55336,-8.56,-1.87,-8.772168587536479
Cc1ccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccccc2)cc1,C32692467_decoy,ITAL,Decoy,0,-8.28593,-6.45,-2.74,-6.127364901540256
O=C(Nc1cccc(C(F)(F)F)c1)c1ccc(-n2nc(-c3ccccc3)cc2-c2ccccc2)cc1,C33514629_decoy,ITAL,Decoy,0,-7.51488,-8.22,-3.25,-6.157582331891683
O=C(Nc1ccc(F)c(Cl)c1)N(Cc1ccccc1)Cc1cccn1Cc1ccc(F)cc1,C34836435_decoy,ITAL,Decoy,0,-7.64648,-9.61,-4.01,-8.942521131868476
C[C@@H]1[C@H]2C[C@@H](C[C@H]1C(=O)N(C)[C@@H](C(=O)NC(C)(C)C)c1cc3ccccc3c3ccccc13)C2(C)C,C36525556_decoy,ITAL,Decoy,0,-8.38205,-10.74,-3.23,-9.390747232743417
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@H](c1ccc(Cl)cc1Cl)N2,C36557786_decoy,ITAL,Decoy,0,-9.40725,-9.58,-1.27,-11.931888201754974
Cc1ccc([C@@H](C(=O)NC2CCCCC2)N(C(=O)[C@@H]2C[C@@H]3C[C@H]([C@H]2C)C3(C)C)C(C)(C)C)cc1,C36581545_decoy,ITAL,Decoy,0,-6.49979,-6.98,-3.21,-7.0863122599683965
Cc1ccccc1-n1c(SC(c2ccccc2)c2ccccc2)nc2c([nH]c3ccccc32)c1=O,C36634560_decoy,ITAL,Decoy,0,-7.1084,-6.21,-2.58,-5.464624041245992
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@H]3CC[C@@]4(O)C[C@@H](OS(C)(=O)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C,C36371540_decoy,ITAL,Decoy,0,-9.65648,-9.13,-3.44,-10.840172622531954
CC(=O)O[C@H]1CC[C@@]2(C)[C@@H](CC[C@@H]3[C@@H]4CC[C@@H]([C@H](C)CC[C@H](C)C(C)C)[C@@]4(C)CC(=O)[C@@]32O)C1,C36371917_decoy,ITAL,Decoy,0,-9.42826,-7.54,-3.39,-11.010295655134827
COc1cc(CNCCc2ccc(F)cc2)cc(Br)c1OCc1c(Cl)cccc1Cl,C40733692_decoy,ITAL,Decoy,0,-9.21213,-7.43,-2.78,-10.615796677691517
O=C(COc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl)Nc1ccc(N2CCCCC2)cc1,C40869914_decoy,ITAL,Decoy,0,-9.40821,-7.48,-0.65,-10.215449648839355
Cc1ccc(NC(=O)CCCOc2cc(C)c(Cl)c(C)c2Br)c(Br)c1,C40948334_decoy,ITAL,Decoy,0,-8.15071,-7.68,-1.52,-7.58053159936255
Cc1cc(C)c2nc(NC(=O)COc3ccc(-c4ccccc4)cc3Br)sc2c1,C40979772_decoy,ITAL,Decoy,0,-8.9963,-7.95,-4.0,-7.279369076164246
CCc1sc(NC(=O)/C(=C/c2ccccc2)c2ccccc2)nc1-c1ccc(Br)cc1,C41012559_decoy,ITAL,Decoy,0,-8.82424,-9.73,-3.75,-8.826423625220052
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C/c1ccc(OCc2ccccc2)c(Br)c1,C09261301_decoy,ITAL,Decoy,0,-8.20867,-8.03,-2.6,-7.0436690535219295
O=C1N/C(=N/c2ccc(F)cc2)S/C1=C\c1ccc(OCc2ccc(Br)cc2)cc1,C16401697_decoy,ITAL,Decoy,0,-7.46788,-8.27,-2.9,-7.088596093130623
CC1=C(C)[C@@H](NC[C@]2(C)CCC[C@@]3(C)c4ccc(C(C)C)cc4CC[C@H]23)N(C[C@@H]2CCCO2)C1=O,C57049700_decoy,ITAL,Decoy,0,-8.92163,-7.93,-2.3,-7.411997561812633
Cc1ccc(-c2csc(SCc3ccc(C(=O)N[C@@H]4C[C@H](C)CC(C)(C)C4)o3)n2)c(C)c1,C57306027_decoy,ITAL,Decoy,0,-7.88126,-9.99,-2.28,-8.662982773607952
Cc1ccc(C)c(NC(=O)/C(C#N)=C/c2c(OCc3ccc(Br)cc3)ccc3ccccc23)c1,C59198846_decoy,ITAL,Decoy,0,-8.39732,-10.26,-3.75,-8.54251163782238
Cc1cc(/C=N/c2sc3c(c2C(=O)Nc2ccccc2)CCCC3)c(C)n1-c1ccc(F)c(Cl)c1,C59245898_decoy,ITAL,Decoy,0,-8.88337,-6.59,-3.43,-6.057630139370822
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C(/C#N)c4ccc(F)cc4)c3C)sc3c2CCCC3)cc1,C59247979_decoy,ITAL,Decoy,0,-9.23131,-5.6,-2.34,-5.818017662432263
CCc1ccc(N[C@H](CC(=O)c2ccc(OC)cc2)c2ccc(I)cc2)cc1,C59378238_decoy,ITAL,Decoy,0,-9.73966,-9.09,-3.77,-9.61421183423258
Cc1cc(Cl)cc(Cl)c1OCC(=O)Nc1cc(-c2nc3ccccc3s2)ccc1Cl,C59642894_decoy,ITAL,Decoy,0,-9.43242,-8.51,-2.97,-9.907159606700745
COc1cc(CNc2cccc(C(F)(F)F)c2)cc(Br)c1OCc1ccc(Cl)cc1,C59719284_decoy,ITAL,Decoy,0,-8.60616,-5.25,-3.42,-5.758789164391883
CCOc1ccc(-c2c(C)sc3nc(C)nc(Nc4ccc(C)c(Br)c4)c23)cc1,C62040258_decoy,ITAL,Decoy,0,-9.29876,-4.93,-1.58,-5.331310010072762
CCc1ccc(NC(=O)CCCOc2ccc(CC)cc2Br)c(Br)c1,C65000779_decoy,ITAL,Decoy,0,-7.49254,-7.67,-2.18,-7.0853190592257045
Cc1ccc(S(=O)(=O)C2=Cc3ccc(C(F)(F)F)cc3[C@]2(O)c2cccc(C(F)(F)F)c2)cc1,C06005231_decoy,ITAL,Decoy,0,-8.92952,-11.16,-2.23,-11.822957576857492
CS(=O)(=O)c1csc(C(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1Cl,C02148007_decoy,ITAL,Decoy,0,-7.11138,-9.06,-0.89,-10.067531290839115
CCOc1ccc(S(=O)(=O)Nc2ccccc2I)c2ccccc12,C00823151_decoy,ITAL,Decoy,0,-7.6484,-8.14,-2.43,-7.663031271636911
O=S(=O)(Nc1ccccc1)c1cccc(S(=O)(=O)c2ccc(Br)cc2)c1,C01196028_decoy,ITAL,Decoy,0,-7.97745,-8.14,-1.63,-9.237464418886631
CC(C)OC(=O)c1c(NC(=O)[C@@]2(C)CC2(Br)Br)sc2c1CCC2,C02091201_decoy,ITAL,Decoy,0,-8.16333,-5.4,-1.8,-6.725372948783813
O=C(CN1C(=O)/C(=C/c2ccccc2Cl)SC1=S)Nc1ccccc1C(F)(F)F,C01184336_decoy,ITAL,Decoy,0,-9.31362,-4.98,-2.95,-5.677493407011154
Cc1ccc(/C=C2\SC(=S)N(CCCCCC(=O)Nc3cccc(Br)c3)C2=O)cc1,C08819768_decoy,ITAL,Decoy,0,-8.77632,-6.66,-2.01,-6.097668827336939
CC(/C=C1\SC(=S)N(CCCC(=O)Nc2cccc(Br)c2)C1=O)=C\c1ccccc1,C08820561_decoy,ITAL,Decoy,0,-8.80622,-7.32,-2.52,-6.889792563176868
C[C@@H](Sc1nnc(-c2ccc(Cl)cc2)n1C)C(=O)Nc1ccc(Br)cc1,C09531711_decoy,ITAL,Decoy,0,-7.90838,-8.38,-2.32,-9.058710818973031
S=C(Nc1ccccc1)N(Cc1ccccc1)Cc1cn(-c2ccccc2)nc1-c1cccs1,C03299734_decoy,ITAL,Decoy,0,-9.53421,-7.96,-4.99,-8.253674157125614
Cc1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)C2=O)cc1,C13534663_decoy,ITAL,Decoy,0,-7.33978,-8.67,-2.34,-8.961858044534171
Cc1ccc(NC(=O)COc2ccccc2C2SCCS2)cc1I,C14893341_decoy,ITAL,Decoy,0,-8.87133,-7.74,-2.5,-8.126916938240905
Cc1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccc(Br)cc3)SC2=S)cc1,C15043961_decoy,ITAL,Decoy,0,-8.55431,-7.27,-3.68,-6.627756352930192
COc1cc(Br)c(CCNC(=O)c2ccc(C3SCCS3)cc2)cc1OC,C16172737_decoy,ITAL,Decoy,0,-8.2091,-6.75,-2.74,-7.425849852213273
CC(=O)C1=C(C)NC(SCC(=O)c2ccc(Cl)cc2)=C(C#N)[C@H]1c1ccccc1Cl,C08439281_decoy,ITAL,Decoy,0,-8.38933,-8.05,-2.55,-9.477668779339051
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccccc2Br)C2=C(CCCC2=O)N1,C00717058_decoy,ITAL,Decoy,0,-7.42886,-8.48,-2.04,-7.969764465513885
CC1=C(C(=O)OC[C@H]2CCCO2)[C@@H](c2ccc(Br)s2)C2=C(CCCC2=O)N1,C19774741_decoy,ITAL,Decoy,0,-8.62262,-6.88,-3.61,-7.929248790171253
O=C(CCS(=O)(=O)c1ccc(Br)s1)Nc1ccc(Br)cc1F,C20137270_decoy,ITAL,Decoy,0,-8.85762,-7.3,-1.67,-7.721438753834835
COc1cccc(CN(Cc2ccccc2)C(=S)Nc2ccc(Br)cc2)c1OC,C20274596_decoy,ITAL,Decoy,0,-9.36816,-7.27,-1.99,-8.723401061334625
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1ccc(S(=O)(=O)C(F)F)cc1,C21799309_decoy,ITAL,Decoy,0,-7.18963,-7.04,-3.36,-5.691137780464
Cc1nc(COc2ccc(C(=O)NCCSCc3ccc(Br)s3)cc2)cs1,C24179998_decoy,ITAL,Decoy,0,-8.93872,-6.49,-4.37,-7.113313686913682
O=C(NC1CC1)c1ccc(CN(C(=O)c2cc(Br)c(Br)s2)C2CC2)cc1,C26103870_decoy,ITAL,Decoy,0,-7.84186,-6.9,-2.77,-7.614295717437994
O=C(COC(=O)CC12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2)NCCc1ccc(F)cc1,C28305705_decoy,ITAL,Decoy,0,-8.52422,-7.34,-3.08,-7.486428280722307
CC(C)(C)c1ccc(C(=O)N2[C@@H](C(=O)Nc3ccccc3F)CS[C@H]2c2ccccc2)cc1,C35192813_decoy,ITAL,Decoy,0,-9.88399,-9.14,-2.04,-11.900734629598068
O=C(C[C@@H](c1ccsc1)c1cn(Cc2ccc(F)cc2)c2ccccc12)NCCc1ccccn1,C35370783_decoy,ITAL,Decoy,0,-10.0061,-8.46,-0.95,-9.07782385649696
Cc1cc(Br)c(NC(=O)COC(=O)C[C@H]2C[C@@H]3CC[C@H]2C3)c(Br)c1,C03223222_decoy,ITAL,Decoy,0,-8.25196,-8.04,-3.88,-11.309608228182032
CCCCNC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)N(C)C(=O)Cc1ccc(Br)cc1,C36528344_decoy,ITAL,Decoy,0,-7.81538,-7.4,-3.75,-7.740198261584162
CCCN(C(=O)c1ccc(F)cc1)[C@H](C(=O)NC(C)(C)C)C(c1ccccc1)c1ccccc1,C36577663_decoy,ITAL,Decoy,0,-7.73962,-3.19,-1.49,-5.51723809628888
O=C(Nc1ccc(Br)cc1Br)c1ccc(OC[C@@H]2CCCO2)cc1,C36795861_decoy,ITAL,Decoy,0,-7.18943,-4.82,-0.87,-4.625853506996452
Cc1cc(C)c(NC(=O)[C@H](C)OC(=O)c2cc(Br)c(Br)s2)c(C)c1,C03324875_decoy,ITAL,Decoy,0,-7.90085,-6.61,-2.8,-6.84455409565078
CN(C)c1ccc([P@](=O)(OCc2ccccc2)[C@H](O)c2ccc(Br)cc2)cc1,C02209345_decoy,ITAL,Decoy,0,-9.03277,-9.11,-2.35,-9.383048076246324
Cc1ccc(NC(=O)CCS(=O)(=O)c2ccc(Br)s2)c(Br)c1,C08592821_decoy,ITAL,Decoy,0,-8.41133,-7.78,-3.47,-8.070700137335255
CCOC(=O)c1sc(NC(=O)[C@H]2Sc3cc(Cl)cc(Cl)c3[C@H]2Cl)nc1C,C39029759_decoy,ITAL,Decoy,0,-9.54784,-6.88,-1.52,-10.920037168286552
O=CC[C@H](NC=O)c1ccc(I)c(Cc2ccccc2)c1Cc1ccccc1,C39495241_decoy,ITAL,Decoy,0,-8.09762,-4.87,-2.15,-5.943155459440034
O=C(CCCc1c(-c2ccccn2)[nH]c2ccc(F)cc12)N(Cc1ccccc1)Cc1ccccc1,C39852887_decoy,ITAL,Decoy,0,-8.68441,-9.81,-4.44,-9.34820557530435
C=C(Br)Cn1c(CCCCCNC(=O)c2cccc(Br)c2)nc2ccccc21,C40213644_decoy,ITAL,Decoy,0,-8.71235,-8.02,-1.91,-7.947460876233572
C=C(Br)Cn1c(CCCCCNC(=O)c2ccc(Br)cc2)nc2ccccc21,C40214342_decoy,ITAL,Decoy,0,-7.65794,-7.71,-2.17,-9.09022247597009
COCCSCc1c(C)[nH]c(=O)c(I)c1Oc1cc(C)cc(C)c1,C45254617_decoy,ITAL,Decoy,0,-8.60243,-6.9,-1.3,-12.126220465326483
O=C(Nc1cccc(OC[C@H]2CCCO2)c1)c1ccc(Cl)cc1I,C46873238_decoy,ITAL,Decoy,0,-7.77431,-4.71,-2.4,-4.9116795457818805
O=S(=O)(/N=C(/Nc1cccc2ccccc12)c1ccccc1)c1ccc(Br)cc1,C04509423_decoy,ITAL,Decoy,0,-8.69554,-9.77,-3.12,-10.622247692590582
COc1ccc(CN(Cc2ccc(F)cc2)C(=S)Nc2ccc(Br)cc2)cc1,C59049838_decoy,ITAL,Decoy,0,-9.10422,-4.9,-3.6,-5.83516141142551
O=C(Nc1nnc(CSCc2ccccc2)s1)[C@H](Sc1ccccc1)c1ccccc1,C59343256_decoy,ITAL,Decoy,0,-8.94892,-8.99,-3.0,-8.226457559288171
C[C@H](NC(=O)COc1c(F)c(F)c(C(F)(F)F)c(F)c1F)C12CC3CC(CC(C3)C1)C2,C59365978_decoy,ITAL,Decoy,0,-7.24178,-9.3,-3.21,-7.748594747646216
COc1ccc(CN(Cc2ccccc2)C(=S)Nc2ccc(Br)cc2)c(OC)c1,C59406997_decoy,ITAL,Decoy,0,-8.65414,-8.4,-1.79,-10.00026256555456
C/C(=N\NC(=O)CSCc1cc(C)cc(C)c1)c1cccc(I)c1,C59473581_decoy,ITAL,Decoy,0,-8.30225,-8.5,-1.37,-9.106077816885154
O=C(NCc1ccc(Cn2ccccc2=O)cc1)c1cc(C(F)(F)F)cc(C(F)(F)F)c1,C60012521_decoy,ITAL,Decoy,0,-7.28701,-6.11,,99.0
CSc1ccc2cc(CN[C@H](C)c3nccs3)c(OCc3ccccc3Cl)nc2c1,C15071872_decoy,ITAL,Decoy,0,-10.4208,-7.39,-4.23,-9.71242758993
O=S(=O)(N[C@H]1CCN(CC(F)(F)F)C1)c1c(Cl)cc(Br)cc1Cl,C60219277_decoy,ITAL,Decoy,0,-8.66517,-7.24,-3.33,-9.651011277058686
Cc1ccccc1CNC(=O)[C@]1(C)Cc2ccccc2C(=O)N1Cc1ccc(C(F)(F)F)cc1,C65075046_decoy,ITAL,Decoy,0,-7.49296,-5.83,-4.57,-5.482521857550997
O=C(NCc1cccc(Br)c1)c1cc2c(=O)n(Cc3ccccc3)ccc2s1,C65119238_decoy,ITAL,Decoy,0,-8.62972,-7.2,-2.45,-8.709446564527774
N#Cc1c2c(c(N3CC[NH+](C(c4ccccc4)c4ccccc4)CC3)n3c1nc1ccccc13)CCC2,C03877916_decoy,ITAL,Decoy,0,-8.795,-5.43,-2.52,-4.900101916945718
O=C(C[C@H](c1ccccc1)[NH+]1CCCCC1)O[C@H](c1ccccc1)c1ccc(Br)cc1,C01569389_decoy,ITAL,Decoy,0,-9.22973,-9.39,-3.27,-12.011185289721627
Cc1ccc(NC(=O)c2c(NC(=O)C[NH2+]Cc3ccco3)sc3c2CC[C@H](C(C)(C)C)C3)c(C)c1,C08396649_decoy,ITAL,Decoy,0,-8.05001,-7.25,-1.96,-5.906454640292933
COc1ccc(CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[NH+](Cc2ccccc2)C4)cc1,C02182013_decoy,ITAL,Decoy,0,-8.80115,-7.92,-3.38,-7.116634861767404
FC(F)(F)c1cc(/C=C\c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)cc(C(F)(F)F)c1,C08616533_decoy,ITAL,Decoy,0,-8.35395,-5.69,-1.55,-6.0380258836305005
CCN(CC)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(Br)cc3s2)cc1,C10065691_decoy,ITAL,Decoy,0,-9.53558,-6.27,-3.22,-8.491671387752497
Cc1cccc2sc(N(CCC[NH+](C)C)C(=O)c3ccccc3I)nc12,C10067858_decoy,ITAL,Decoy,0,-8.96243,-7.95,-1.84,-10.877232041176583
C[NH+](C)CCN(C(=O)c1cc(-c2cccs2)nc2ccccc12)c1nc2ccc(F)cc2s1,C10461201_decoy,ITAL,Decoy,0,-9.66856,-5.07,-3.24,-6.058398319529833
FC(F)(F)c1cc(/C=C/c2noc(-c3ccc(C[NH+]4CCCC4)cc3)n2)cc(C(F)(F)F)c1,C12339875_decoy,ITAL,Decoy,0,-7.28164,-11.19,-2.19,-10.82804654966638
CC(C)c1ccc(C[NH+](C)Cn2nc(-c3ccc(Cl)cc3)n(C[C@@H]3CCCO3)c2=S)cc1,C13072838_decoy,ITAL,Decoy,0,-8.60114,-6.92,-3.4,-7.511102193563233
COC(=O)[C@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](C(=O)c2ccccc2)[NH+]2C=Cc3ccccc3[C@@H]21,C02357699_decoy,ITAL,Decoy,0,-8.78732,-4.98,-3.71,-5.800644266868742
Cc1ccc(S[C@]2(C[NH+]3CCC[C@@H](C)C3)COc3cc(C)c(Br)cc3C2=O)cc1,C16310870_decoy,ITAL,Decoy,0,-9.0506,-7.26,-2.17,-9.086055321261334
Fc1ccc(C(c2ccc(F)cc2)N2CC[NH+](CCCc3nc(-c4cccs4)no3)CC2)cc1,C22926762_decoy,ITAL,Decoy,0,-8.54114,-8.6,-3.32,-7.447425187802123
CCc1ccc2c(C[NH+]3CCN(C(c4ccc(F)cc4)c4ccc(F)cc4)CC3)cc(=O)oc2c1,C22926774_decoy,ITAL,Decoy,0,-8.46871,-9.9,-2.45,-8.23328666936802
Fc1cccc(C[NH+]2CCN(c3ncc(-c4ccsc4)c4nc(C(F)(F)F)ccc34)CC2)c1,C24903739_decoy,ITAL,Decoy,0,-8.80001,-8.56,-2.56,-8.766389889391068
COc1ccc(C[NH+]2C[C@H](CN(C(=O)c3cccc(C)c3)C3CC3)[C@@H](c3ccc(F)cc3)C2)cc1,C34699189_decoy,ITAL,Decoy,0,-7.85424,-8.71,-3.57,-7.446457730803422
CCCC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2Cc2ccc(Cl)cc2)CCCC4)CC1,C34747214_decoy,ITAL,Decoy,0,-10.0424,-4.79,-2.0,-5.947316750294535
Cc1ccc(C[NH+]2CCN(c3nc4sc5c(c4c(=O)n3Cc3ccccc3)CCCC5)CC2)c(C)c1,C34747324_decoy,ITAL,Decoy,0,-8.65424,-7.24,-1.94,-6.514531721629817
CCCCn1c(N2CC[NH+](Cc3cc(C)ccc3C)CC2)nc2sc3c(c2c1=O)CCCC3,C34747342_decoy,ITAL,Decoy,0,-9.23595,-7.63,-2.23,-7.231349793403011
O=c1c2c3c(sc2nc(N2CC[NH+](CCCc4ccccc4)CC2)n1Cc1ccccc1)CCCC3,C34747386_decoy,ITAL,Decoy,0,-9.35541,-8.37,-2.01,-7.666273158264065
Cc1ccc(-c2cc(C(=O)N(CC[NH+](C)C)Cc3ccccc3)n(-c3ccc(Cl)cc3)n2)cc1C,C35250158_decoy,ITAL,Decoy,0,-9.00679,-8.81,-4.1,-9.270638842442722
CCc1ccc(N(C(=O)c2ccc(F)cc2)C2CC[NH+](Cc3cc(OC)cc(OC)c3)CC2)cc1,C35841695_decoy,ITAL,Decoy,0,-8.04936,-5.91,-3.08,-6.304610662709216
Cc1ccc(N(C2CC[NH+](Cc3ccc(F)cc3F)CC2)S(=O)(=O)c2cccc(C)c2)cc1,C35841767_decoy,ITAL,Decoy,0,-8.96278,-9.55,-2.08,-8.669436974729473
O=S(=O)(c1ccc(Cl)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2ccsc2)CC1,C35853229_decoy,ITAL,Decoy,0,-8.54366,-8.93,-3.08,-8.592237807416131
c1ccc(CCc2nc(N3CC[NH+](Cc4ccccc4)CC3)c3c4c(sc3n2)CCCCC4)cc1,C35892963_decoy,ITAL,Decoy,0,-9.32543,-5.63,-2.07,-6.019099770216487
CC[NH+](CC)CCN(C(=O)c1ccc2c(c1)CCCC2)c1nc2ccc(Br)cc2s1,C36637878_decoy,ITAL,Decoy,0,-10.0315,-4.52,-3.65,-5.912479690522898
CCc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccc(Br)s3)sc2c1,C36637909_decoy,ITAL,Decoy,0,-10.0735,-7.16,,99.0
Clc1ccccc1-c1nc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)cs1,C36832979_decoy,ITAL,Decoy,0,-9.08436,-8.07,-2.06,-8.032687382534439
O=S(=O)(c1ccc(F)cc1)N(c1ccc(F)cc1)C1CC[NH+](Cc2c(F)cccc2F)CC1,C37570554_decoy,ITAL,Decoy,0,-8.2183,-9.94,-3.86,-8.11404119936298
COc1ccc(C[NH+]2CCC(N(c3ccc(C)cc3)S(=O)(=O)c3ccccc3C)CC2)cc1,C37570681_decoy,ITAL,Decoy,0,-8.36094,-10.07,-1.77,-13.529932050333697
COc1ccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(C)cc3)CC2)cc1,C37572249_decoy,ITAL,Decoy,0,-9.01918,-4.83,-2.02,-5.602511701945942
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Cl)c(Cl)c1)N(CC[NH+](CC)CC)C3=O,C38728496_decoy,ITAL,Decoy,0,-8.40063,-3.87,-1.33,-4.811931097177377
CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(CC[NH+](CC)CC)C3=O,C38728500_decoy,ITAL,Decoy,0,-10.0127,-4.77,,99.0
C[NH+](C)CCCN(C(=O)C(c1ccccc1)c1ccccc1)c1nc2c(F)cc(F)cc2s1,C36643798_decoy,ITAL,Decoy,0,-8.86181,-8.76,-1.48,-9.843988550858478
CCSc1cccc(C(=O)N(CCC[NH+](C)C)c2nc3ccc(Br)cc3s2)c1,C36694379_decoy,ITAL,Decoy,0,-8.95713,-3.97,-3.53,-6.40990931416442
CSc1cccc2sc(N(CC[NH+](C)C)C(=O)c3ccc(C(=O)c4ccccc4)cc3)nc12,C38845201_decoy,ITAL,Decoy,0,-8.46873,-5.35,-3.65,-6.1319884989302045
Cc1cc(C)c(S(=O)(=O)N(Cc2ccc(F)cc2)C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)c(C)c1,C39324913_decoy,ITAL,Decoy,0,-8.58036,-4.96,-3.42,-5.923508051647816
Cc1cc(C)c(S(=O)(=O)N(CCc2ccccc2)C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)c(C)c1,C39324915_decoy,ITAL,Decoy,0,-8.79997,-8.21,-3.34,-8.39018667073573
Cc1cccc(CCN(C[C@H]2C=c3c(C)cc(C)cc3=[NH+]C2=O)S(=O)(=O)c2ccc(F)cc2)c1,C39325111_decoy,ITAL,Decoy,0,-8.82899,-5.37,-2.0,-5.928843282223213
C[NH+](C)CCCN(C(=O)c1ccc(C(C)(C)C)cc1)c1nc2ccc(Br)cc2s1,C36643346_decoy,ITAL,Decoy,0,-9.60328,-7.11,-2.47,-10.171012871683354
C[NH+](C)CCCN(C(=O)c1cc(-c2ccccc2)nc2ccccc12)c1nc2c(F)cccc2s1,C36643465_decoy,ITAL,Decoy,0,-8.24184,-5.69,-2.04,-5.876943900175076
CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1ccc(Cl)c(Cl)c1)N(CCC[NH+](CC)CC)C3=O,C40561654_decoy,ITAL,Decoy,0,-9.74275,-4.62,-3.55,-5.928217415312098
FC(F)Oc1ccccc1C1=Nc2[nH+]c3ccccc3n2[C@H](c2ccc(Br)cc2)C1,C20755395_decoy,ITAL,Decoy,0,-9.14818,-11.19,-1.52,-10.41781814685481
CCC[NH+]1CCC(N2CCOc3c(cc(-c4ccccc4C)cc3OC[C@@H]3CCOC3)C2)CC1,C14883204_decoy,ITAL,Decoy,0,-10.5853,-9.99,-2.33,-11.867999611988472
O=C(O[C@@H](C(=O)C1=c2ccccc2=[NH+]C1)c1ccccc1)c1ccc(I)cc1,C39946768_decoy,ITAL,Decoy,0,-7.57823,-8.99,-2.42,-8.849756045735305
CSc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2S(=O)(=O)c2cccc(Cl)c2)cc1,C63625044_decoy,ITAL,Decoy,0,-8.04101,-8.72,-2.26,-7.448664782559512
CCOc1cccc(CC(=O)N2CCC3=c4ccccc4=[NH+][C@H]3[C@H]2c2ccc(F)cc2)c1OCC,C63697267_decoy,ITAL,Decoy,0,-10.1546,-10.3,-2.1,-13.23565264080045
CCOc1ccc([C@H]2[C@H]3[NH+]=c4ccccc4=C3CCN2C(=O)CSCc2ccc(F)cc2)cc1,C63697946_decoy,ITAL,Decoy,0,-8.58272,-7.36,-1.64,-6.973395631937419
O=C1[C@H](CC2=c3ccccc3=[NH+]C2)N=C2c3ccccc3N=C(SCc3ccccc3Cl)N12,C63707935_decoy,ITAL,Decoy,0,-8.42595,-7.57,-3.23,-7.480497155332995
CCC(=O)N1N=C([C@H]2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C[C@@H]1c1ccc(F)cc1,C64343355_decoy,ITAL,Decoy,0,-7.49012,-5.74,-3.53,-5.37140466458135
CC(=O)O[C@@H]1CC[C@@]2(C)[C@H](CC(=O)[C@@H]3[C@H]4CC[C@H]([C@@H](C)CCC(=O)[O-])[C@@]4(C)[C@@H](OC(C)=O)C[C@@H]32)C1,C04293130_decoy,ITAL,Decoy,0,-8.0373,-7.13,-2.05,-7.366378983919202
CCN(C(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1-c1ccc(F)cc1)c1ccc(F)cc1,C13194997_decoy,ITAL,Decoy,0,-7.35177,-6.35,-2.47,-5.720716120341037
COc1ccc(-c2nnc(SCCOc3ccc(Cl)cc3Br)n2CC(=O)[O-])cc1,C13201457_decoy,ITAL,Decoy,0,-7.61922,-7.23,-1.54,-7.034284395218793
CCN(CC)S(=O)(=O)c1ccc(-c2ccc(/C=C(\CC(=O)[O-])c3nc4ccccc4s3)o2)cc1,C13339231_decoy,ITAL,Decoy,0,-7.82112,-7.56,-2.82,-6.62179515790791
C[C@@H]1CCc2c(sc3nc(SCc4occc4C(=O)[O-])n(CCc4ccc(F)cc4)c(=O)c23)C1,C13395011_decoy,ITAL,Decoy,0,-7.86688,-7.93,-3.77,-8.4916614448816
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2ccc(C(C)C)cc2)nc1C,C08738324_decoy,ITAL,Decoy,0,-9.25344,-7.91,-1.76,-9.158532908648338
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C)cc2)nc1C,C09185674_decoy,ITAL,Decoy,0,-8.48553,-8.47,-2.68,-7.881644320727653
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@@H]2c2ccc(C(C)C)cc2)nc1C,C09271512_decoy,ITAL,Decoy,0,-9.90221,-4.4,-2.03,-5.906865971371865
COC(=O)c1sc(S(=O)(=O)[N-]c2ccc(Oc3ccccc3Cl)cc2)c(C(=O)OC)c1C,C33620932_decoy,ITAL,Decoy,0,-8.73416,-7.2,-3.85,-7.475361516693876
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@H]2c2ccc(OCC)cc2)nc1C,C16730280_decoy,ITAL,Decoy,0,-8.76153,-4.66,-2.52,-6.215497735265276
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccccc2F)cc1C,C09994092_decoy,ITAL,Decoy,0,-8.9035,-6.79,-3.13,-7.089337855993843
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccc(C)cc2)nc1C,C35420658_decoy,ITAL,Decoy,0,-8.31272,-8.78,-4.2,-9.004769767175373
COc1cccc([C@H]2C(C(=O)/C=C/c3ccccc3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)c1,C35421798_decoy,ITAL,Decoy,0,-8.96202,-5.58,-3.06,-6.163392140988034
COc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2Cc2ccco2)cc1,C35445556_decoy,ITAL,Decoy,0,-9.25222,-8.24,-3.62,-7.690905879673793
CCCCOc1ccc([C@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2c2nccs2)cc1,C35483707_decoy,ITAL,Decoy,0,-8.5084,-6.37,-3.71,-6.950690361868663
CCCCCOc1cccc([C@@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2c2nccs2)c1,C35483744_decoy,ITAL,Decoy,0,-9.0808,-8.41,-3.19,-10.230870265013207
CCOc1ccc([C@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2CCc2ccccc2)cc1,C35484829_decoy,ITAL,Decoy,0,-9.25793,-9.99,-2.14,-11.923295813675534
CCCc1nn(-c2ccc(C)cc2C)c([O-])c1C1=C(N(CC)CC)C(=O)N(c2ccc(OC)cc2)C1=O,C35621322_decoy,ITAL,Decoy,0,-7.04139,-6.37,-1.92,-6.6211837364587
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N(C)Cc3ccccc3)N2[C@H]1c1ccccc1C,C35695961_decoy,ITAL,Decoy,0,-7.17089,-6.03,-4.45,-6.309851949832565
O=C(CCc1nnc(-c2ccc(OCC3CCC3)cc2)nc1[O-])N1CCN(c2ccc(F)cc2)CC1,C35922372_decoy,ITAL,Decoy,0,-8.35776,-8.22,-2.51,-6.851777170203432
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@@H]2c2ccc(C)cc2)nc1C,C09379672_decoy,ITAL,Decoy,0,-8.81135,-5.02,-3.34,-5.81565518062984
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccc(F)cc1,C01782018_decoy,ITAL,Decoy,0,-8.71731,-7.12,-1.72,-12.64785350098915
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC(C)C)cc3)[C@H]2c2ccccc2)nc1C,C39828062_decoy,ITAL,Decoy,0,-8.78855,-6.28,-3.95,-7.369836046558868
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@H]2c2ccc(C)cc2)nc1C,C39828066_decoy,ITAL,Decoy,0,-9.59796,-7.93,-3.72,-10.63758449098835
O=C(C1=C([O-])C(=O)N(c2nnc(SCc3ccccc3)s2)[C@@H]1c1ccc(F)cc1)c1ccccc1,C39835133_decoy,ITAL,Decoy,0,-9.67919,-9.2,-1.81,-11.053023256568986
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccco2)cc1,C39835190_decoy,ITAL,Decoy,0,-8.16336,-6.56,-2.74,-6.65754154371664
COc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccc(C)cc4)s3)[C@@H]2c2ccco2)cc1,C39835211_decoy,ITAL,Decoy,0,-7.548,-6.96,-2.81,-6.60600761662437
Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccco4)[C@H]3c3ccc(C)cc3)s2)cc1,C39835229_decoy,ITAL,Decoy,0,-8.83813,-5.45,,99.0
COc1ccc(CCn2c([O-])c(/N=N/c3ccccc3Br)c(C)c(C#N)c2=O)cc1OC,C39871006_decoy,ITAL,Decoy,0,-8.26875,-7.5,-1.93,-10.161224504817216
COCCCN1C(=O)C([O-])=C(C(=O)c2sc(Sc3ccc(C)cc3)nc2C)[C@H]1c1ccccc1F,C39991711_decoy,ITAL,Decoy,0,-8.5032,-7.87,-2.89,-7.953236940926498
CCCc1nnc(/N=C([O-])/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(F)c2)s1,C39997857_decoy,ITAL,Decoy,0,-7.95639,-6.85,-2.66,-6.915440559423248
CCCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(C(C)C)s2)cc1,C39997897_decoy,ITAL,Decoy,0,-8.05295,-6.96,-2.03,-6.540311835678804
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(SC)s2)cc1C,C39998014_decoy,ITAL,Decoy,0,-7.04612,-6.23,-3.17,-4.631840607124398
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@H]2c2ccc(C(C)C)cc2)cc1,C40000015_decoy,ITAL,Decoy,0,-9.53273,-5.1,-2.5,-6.151004044544798
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@@H]2c2cccs2)cc1C,C40000206_decoy,ITAL,Decoy,0,-9.26707,-5.76,-2.2,-7.194337822383426
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@@H]2c2ccccc2F)cc1,C40003174_decoy,ITAL,Decoy,0,-7.83507,-5.27,-2.88,-5.7117892882462415
CCCCCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2c2nccs2)cc1,C40003309_decoy,ITAL,Decoy,0,-9.11368,-8.45,-5.58,-9.62846920772384
Cc1nc2c(C)cccn2c1C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1cccc(OCCC(C)C)c1,C40003331_decoy,ITAL,Decoy,0,-7.56118,-6.16,-3.15,-7.407961865812058
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccccc3Cl)cc2)[C@H]1c1cccc([N+](=O)[O-])c1,C40030532_decoy,ITAL,Decoy,0,-7.62576,-5.48,-2.65,-5.203211763037673
Cc1ccc(OCCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3[O-])c3ccccc32)cc1C,C13569686_decoy,ITAL,Decoy,0,-8.51618,-7.45,-2.73,-6.772198886339084
CC[C@@H](C)c1ccc(N2C(=O)N=C([O-])/C(=C\c3cccn3Cc3ccc(Cl)cc3Cl)C2=O)cc1,C08914408_decoy,ITAL,Decoy,0,-9.10077,-9.28,-1.97,-10.12096906183018
C/N=C1/S/C(=C\c2cc(Cl)c(OCc3ccc(C(=O)[O-])cc3)c(Br)c2)C(=O)N1C,C59104103_decoy,ITAL,Decoy,0,-8.31399,-5.86,-2.02,-5.591941158399892
O=c1c2ccccc2nc(Sc2ccc(/C=N/[N-]S(=O)(=O)Cc3ccccc3)o2)n1-c1ccccc1,C59392334_decoy,ITAL,Decoy,0,-8.10149,-8.92,-2.57,-10.322458670861042
CCO/C([O-])=C1\C(=O)/C(=C/c2cc(Br)ccc2OCC#N)S\C1=N/c1ccc(C)cc1,C59437099_decoy,ITAL,Decoy,0,-9.23743,-8.11,-1.63,-9.180820037234586
CC[C@@H](C)c1ccc(N2C(=O)/C(=C/c3cccn3Cc3c(Cl)cccc3Cl)C(=O)N=C2[O-])cc1,C08738327_decoy,ITAL,Decoy,0,-7.57477,-5.5,-3.01,-4.988819397761334
COc1ccc(N2C(=O)/C(=C/c3cccn3CCOc3cc(C)cc(C)c3)C(=O)N=C2[O-])cc1Cl,C08768477_decoy,ITAL,Decoy,0,-8.64154,-8.57,-2.26,-7.375404002591835
CC[C@@H](C)c1ccccc1OCCn1cc(/C=C2/C(=O)N=C([O-])N(Cc3ccco3)C2=O)c2ccccc21,C13660103_decoy,ITAL,Decoy,0,-8.8973,-8.31,-2.99,-7.705502003574127
CCc1ccc(N2C(=O)/C(=C/c3cn(CCCOc4cccc(C)c4C)c4ccccc34)C(=O)N=C2[O-])cc1,C13569983_decoy1,ITAL,Decoy,0,-8.4315,-8.98,,-7.858015147018136
[O-]/C(COc1ccccc1)=N\c1nc2n(n1)[C@H](c1ccccc1Cl)CC(c1ccc(Cl)cc1)=N2,C64790631_decoy,ITAL,Decoy,0,-9.543,-8.56,-2.01,-12.213154435303895
CCOC(=O)c1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)c4sc([S-])nc4S[C@@H]3C2=O)cc1,C40475506_decoy,ITAL,Decoy,0,-8.04641,-8.68,-1.66,-7.406606572449158
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C(=O)[O-])cc3)c(=O)n2[C@@H]1c1ccccc1OCC,C02919469_decoy,ITAL,Decoy,0,-8.91302,-6.99,-2.8,-7.7090759855232225
Cc1ccc(-c2nnc(SCC(=O)c3c(-c4ccccc4)n(C)c4ccccc34)n2CC(=O)[O-])cc1,C13205219_decoy,ITAL,Decoy,0,-8.50666,-8.41,-3.42,-8.048845896740461
O=C([O-])Cc1ccc(S(=O)(=O)Oc2ccc3c(=O)c(Oc4ccc(Cl)cc4)coc3c2)s1,C13307202_decoy,ITAL,Decoy,0,-8.22728,-6.81,-3.28,-7.389603080228094
O=C([O-])CC/C(=C\c1cn(-c2ccccc2)nc1-c1ccc([N+](=O)[O-])cc1)c1nc2ccccc2s1,C13344979_decoy,ITAL,Decoy,0,-7.09193,-5.15,-2.07,-5.2660517208455095
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1,C09043705_decoy,ITAL,Decoy,0,-9.21764,-6.19,-2.96,-7.199349128634233
O=S(=O)([N-]c1ccc(S(=O)(=O)N2CCc3ccccc32)cc1)c1ccc(Br)s1,C20533722_decoy,ITAL,Decoy,0,-8.20881,-6.62,-2.72,-6.378765814029675
COc1ccc(N2C(=O)N=C([O-])/C(=C/c3ccc(OCCOc4ccc(C(C)(C)C)cc4)cc3)C2=O)cc1,C27527819_decoy,ITAL,Decoy,0,-7.35997,-7.46,,99.0
CCc1ccc(N2C(=O)N=C([O-])/C(=C\c3cn(CCCOc4cccc(C)c4C)c4ccccc34)C2=O)cc1,C13569983_decoy2,ITAL,Decoy,0,-7.9191,-7.4,,-6.546143378066135
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OCC)c(C)c3)[C@H]2c2ccc(F)cc2)nc1C,C01480015_decoy,ITAL,Decoy,0,-8.01664,-5.8,-3.81,-6.767925048950438
CCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2Cc2ccco2)cc1,C16247118_decoy,ITAL,Decoy,0,-8.27346,-7.42,-2.84,-8.2627495786241
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@@H]2c2ccccc2F)cc1C,C05355568_decoy,ITAL,Decoy,0,-8.21835,-7.08,-3.57,-7.472353900909368
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc(C)c(C(=O)OC)s3)[C@H]2c2ccc(C)cc2)cc1C,C09994090_decoy,ITAL,Decoy,0,-8.77657,-8.9,-3.17,-8.409353995679309
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)c(F)c3)[C@@H]2c2ccc(OCC)cc2)nc1C,C16730277_decoy,ITAL,Decoy,0,-8.3182,-4.57,-3.39,-6.051441320125786
Cc1ccc(C(C)C)c(OCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3[O-])c3ccccc32)c1,C34828733_decoy,ITAL,Decoy,0,-8.32823,-7.84,-2.74,-7.274921010948146
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)/C=C/c3ccccc3)[C@@H]2c2ccccc2F)nc1C,C35420688_decoy,ITAL,Decoy,0,-9.17628,-8.59,-2.45,-9.521749791274956
CCc1ccc([C@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2Cc2ccco2)cc1,C35445447_decoy,ITAL,Decoy,0,-8.43888,-5.55,-3.72,-5.371542283650514
COc1ccc([C@@H]2C(C(=O)c3ccc(OCc4ccccc4C)cc3)=C([O-])C(=O)N2Cc2ccco2)cc1,C35445558_decoy,ITAL,Decoy,0,-8.68005,-6.74,-2.62,-6.471022888562112
CCCCOc1ccc([C@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2Cc2ccco2)cc1,C35484661_decoy,ITAL,Decoy,0,-9.66599,-6.19,-2.32,-7.379856565615372
CCCOc1ccc([C@@H]2C(C(=O)c3nc4c(C)cccn4c3C)=C([O-])C(=O)N2CCc2ccccc2)cc1,C35484846_decoy,ITAL,Decoy,0,-8.68338,-8.5,-3.18,-8.203881785034644
CCN(CC)C1=C(c2c(C(C)C)nn(-c3ccc(F)cc3)c2[O-])C(=O)N(c2cc(C)ccc2OC)C1=O,C35621348_decoy,ITAL,Decoy,0,-8.16269,-6.23,-3.22,-6.579985494392608
CCc1nn(-c2cccc(Cl)c2)c([O-])c1C1=C(N(CC)CC)C(=O)N(c2cc(C)ccc2OC)C1=O,C35621705_decoy,ITAL,Decoy,0,-8.30728,-7.9,-1.78,-8.303317976748627
CCC1=C(C(=O)OC)[C@@H](c2ccccc2F)N2C(/C=C(\[O-])N3CCc4ccccc4C3)=CSC2=N1,C35969757_decoy,ITAL,Decoy,0,-8.97128,-5.37,-4.1,-5.895746982149108
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)cc3C)[C@H]2c2ccc(C)cc2)nc1C,C09379671_decoy,ITAL,Decoy,0,-8.51191,-6.28,-3.08,-7.069166629170116
CCc1ccc(N2C(=O)/C(=C\c3cn(CCOc4ccc(OC)cc4)c4ccccc34)C(=O)N=C2[O-])cc1,C36550192_decoy,ITAL,Decoy,0,-8.41277,-6.5,-3.51,-6.159916894132702
CC(C)(C)c1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(Br)cc3)[C@@H]2c2ccc(F)cc2)no1,C09272867_decoy,ITAL,Decoy,0,-8.42234,-7.89,-1.37,-7.742297273787416
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OCC(=O)[O-])c3)c(=O)n2[C@@H]1c1ccc(F)cc1,C02049530_decoy,ITAL,Decoy,0,-7.75945,-8.32,-4.13,-7.2740128174498
CCCCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2C[C@H]2CCCO2)cc1,C16733805_decoy,ITAL,Decoy,0,-8.96008,-7.93,-1.86,-8.376683977254075
O=S(=O)([N-]c1ccc2c(c1)N(S(=O)(=O)c1ccc(F)cc1)CCC2)c1cccc2ccccc12,C36646883_decoy,ITAL,Decoy,0,-7.18567,-10.52,-3.88,-7.84107445904645
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc4c(c3)C[C@H](C)O4)=C([O-])C(=O)N2C[C@H]2CCCO2)cc1,C39734457_decoy,ITAL,Decoy,0,-8.94134,-9.02,-1.36,-8.564666610386443
COC(=O)c1ccccc1[N-]C1=NC(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)S1,C39870157_decoy,ITAL,Decoy,0,-8.98392,-6.75,-2.98,-7.796871053977152
CCCc1nnc(/N=C([O-])/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)s1,C39997870_decoy,ITAL,Decoy,0,-8.73157,-7.15,-3.14,-7.377997273182237
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(CC(C)C)s2)cc1,C39997957_decoy,ITAL,Decoy,0,-8.05463,-7.02,-3.8,-6.367234290473955
CSc1nnc(/N=C([O-])/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC(C)C)cc2)s1,C39998003_decoy,ITAL,Decoy,0,-6.93281,-7.48,-3.55,-6.971934203423331
N#CC(=C\c1cn(-c2ccccc2)nc1-c1ccco1)/C([O-])=N/c1nnc(SCc2ccccc2)s1,C39998061_decoy,ITAL,Decoy,0,-7.68078,-5.97,-4.59,-5.046855637922832
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(N(CC)CC)cc2)s1,C39999833_decoy,ITAL,Decoy,0,-9.24662,-4.36,-4.53,-5.963917986432178
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1,C40110817_decoy,ITAL,Decoy,0,-8.71382,-7.38,-4.26,-10.074130378316964
Cc1cc(C)cc(OCCCn2cc(/C=C3/C(=O)N(Cc4ccco4)C(=O)N=C3[O-])c3ccccc32)c1,C08997365_decoy,ITAL,Decoy,0,-7.60078,-9.07,-3.55,-6.723623551121484
COc1cc(/C=C(\Cl)c2nc([O-])c3c(-c4ccccc4)csc3n2)cc(OC)c1OC(F)F,C45314822_decoy,ITAL,Decoy,0,-8.32432,-7.68,-2.27,-5.661979464722908
CC(=O)Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(OC(C)=O)cc4)cn3c2[O-])cc1,C45820597_decoy,ITAL,Decoy,0,-7.9115,-5.93,-2.72,-5.523729267720161
CC(C)(C)c1ccc(OCCn2cc(/C=C3\C(=O)N(Cc4ccco4)C(=O)N=C3[O-])c3ccccc32)cc1,C13685221_decoy,ITAL,Decoy,0,-8.59765,-7.0,-4.24,-7.155674206148709
C=CCc1cc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2[O-])ccc1OC,C59104847_decoy,ITAL,Decoy,0,-7.8473,-8.28,-2.55,-7.658607960778115
CCCCOC(=O)c1ccc(-n2c(C)cc(/C=C3\C(=O)N(Cc4ccccc4)C(=O)N=C3[O-])c2C)cc1,C59109486_decoy,ITAL,Decoy,0,-9.24449,-6.9,-2.27,-6.673621168592826
O=C1/C(=N\[N-]S(=O)(=O)Cc2ccccc2)c2cc(Br)ccc2N1CCc1ccccc1,C59151311_decoy,ITAL,Decoy,0,-9.39735,-9.64,-3.08,-13.09777981855436
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccccc3C(=O)[O-])c(=O)n2[C@@H]1c1ccc(N(C)C)cc1,C59447090_decoy,ITAL,Decoy,0,-8.3408,-4.73,-3.87,-5.4242303076596
COc1cc(/C=C2\SC([N-]c3ccccc3Cl)=NC2=O)ccc1OCc1ccc([N+](=O)[O-])cc1,C38204426_decoy,ITAL,Decoy,0,-7.86026,-8.05,-4.07,-6.797137410204885
Cc1c(Br)ccc(N2C(=O)N=C([O-])/C(=C\c3ccc(N(C)CCC(C)C)cc3)C2=O)c1C,C59859731_decoy,ITAL,Decoy,0,-9.49106,-7.99,-1.5,-9.543254318217762
COc1ccc(N2C(=O)N=C([O-])/C(=C\c3cccn3CCOc3cc(C)ccc3C(C)C)C2=O)cc1Cl,C02593715_decoy,ITAL,Decoy,0,-8.22966,-8.29,-1.75,-7.597340181557494
COc1ccc([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1,C39730294_decoy,ITAL,Decoy,0,-8.08975,-5.51,-4.53,-5.288862908100199
CCN(CC)c1ccc([C@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1,C39731372_decoy,ITAL,Decoy,0,-9.76777,-4.97,-2.43,-5.660516233447336
Cc1ccc(N2C(=O)N=C([O-])/C(=C/c3ccccc3OCCOc3ccc(C(C)(C)C)cc3)C2=O)cc1,C27527825_decoy,ITAL,Decoy,0,-7.87765,-8.06,-2.81,-6.795500952700835
CC1(C)O[C@@](C)([C@H](OC(=O)c2ccc(Br)cc2)C2CCCCC2)CC[C@@H]1C(=O)[O-],C03845888_decoy,ITAL,Decoy,0,-8.26389,-7.53,-2.0,-9.258768306202514
Cc1ccc(N=C2S/C(=C\c3ccc(OCC(=O)[O-])cc3)C(=O)N2CCc2ccccc2)cc1,C02826721_decoy,ITAL,Decoy,0,-8.34434,-5.61,-4.14,-5.79374461786781
CCN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])c(Br)c2)S/C1=N\c1ccc(F)cc1,C12349980_decoy,ITAL,Decoy,0,-8.41283,-3.58,-3.58,-4.460511362995894
CC(C)CCC[C@@H](C)[C@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@]21C,C12501446_decoy,ITAL,Decoy,0,-9.19421,-7.96,-2.39,-10.698248176859549
C=CCn1c(SCc2c(C(=O)[O-])oc3ccccc23)nc2scc(-c3cccs3)c2c1=O,C13256603_decoy,ITAL,Decoy,0,-7.98371,-4.93,,99.0
Cc1cc(C)c(C(=O)CSc2nc3cc(C(=O)[O-])ccc3c(=O)n2-c2ccc(F)cc2)c(C)c1,C13280134_decoy,ITAL,Decoy,0,-6.81542,-5.85,-3.6,-5.016372734117327
CCCOc1c(Br)cc(/C=C(\CCC(=O)[O-])c2nc3ccccc3s2)cc1OC,C13343537_decoy,ITAL,Decoy,0,-8.20238,-6.29,-2.38,-6.902782934598037
Cc1ccccc1-n1c(SCc2c(C(=O)[O-])oc3ccccc23)nc2sc(C)c(C)c2c1=O,C13397874_decoy,ITAL,Decoy,0,-7.00102,-8.23,-2.03,-7.47482733156385
C=CCN(c1ccc(Cn2c(CC)nc3c(C)cc(C)nc32)cc1C)[C@@H](C(=O)[O-])c1ccccc1,C13732514_decoy,ITAL,Decoy,0,-7.92586,-7.55,-3.37,-9.025794780546724
O=[N+]([O-])c1cc(/C=N/c2ccc3nc(SCc4ccc(Br)cc4)sc3c2)ccc1[O-],C03664500_decoy,ITAL,Decoy,0,-7.03775,-8.06,-1.91,-6.068120127266996
CCOc1ccc(C2=C(/C=C3/SC(=S)N=C3[O-])[C@H](c3ccccc3)c3ccccc3O2)cc1,C17180604_decoy,ITAL,Decoy,0,-6.1221,-8.03,-1.7,-4.931375943474715
CCCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@@H]2c2ccc(CC)cc2)s1,C27022144_decoy,ITAL,Decoy,0,-8.97082,-9.01,-2.36,-8.797260546087218
O=C([O-])c1ccc(/C=C2\Oc3cc(OC(c4ccc(F)cc4)c4ccc(F)cc4)ccc3C2=O)cc1,C27101677_decoy,ITAL,Decoy,0,-7.88013,-11.08,-2.53,-7.806349604665533
C=CCc1ccccc1OCCOc1c(Br)cc(/C=C2\SC(=S)N=C2[O-])cc1OC,C27527902_decoy,ITAL,Decoy,0,-7.91477,-5.48,-2.34,-5.358501246500413
Cc1oc2ccc([N-]S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)cc2c1C(=O)OC(C)C,C28463612_decoy,ITAL,Decoy,0,-8.63278,-7.39,-3.7,-7.53506921316092
O=C([O-])c1cccc(-c2ccc(/C=c3\sc4nc(-c5ccccc5)c(-c5ccccc5)n4c3=O)o2)c1,C33481032_decoy,ITAL,Decoy,0,-8.0263,-9.57,-4.15,-7.015592989450058
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@@H]3c3ccc(C(C)(C)C)cc3)ccc2O1,C09123943_decoy,ITAL,Decoy,0,-8.69654,-9.2,-3.88,-8.058362155605764
CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2C)N2C(/C=C(\[O-])N3CCCC[C@H]3C)=CSC2=N1,C34923269_decoy,ITAL,Decoy,0,-7.80052,-8.65,-2.04,-8.16283263034484
CCCOc1cccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)c1,C35263428_decoy,ITAL,Decoy,0,-9.17228,-9.75,-3.65,-9.5810953598586
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@H]2c2cccs2)cc1,C35264000_decoy,ITAL,Decoy,0,-9.70431,-7.26,-1.55,-7.423577136077471
COC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N(C)Cc3ccccc3)N2[C@H]1c1cccc(Cl)c1,C35697746_decoy,ITAL,Decoy,0,-7.6685,-6.94,-3.93,-7.440336691982662
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])N(C)CC)N2[C@@H]1c1cccc(F)c1,C35705113_decoy,ITAL,Decoy,0,-7.96638,-4.34,-2.89,-5.830416619409089
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])N(C)CC)N2[C@@H]1c1ccc(F)cc1,C36049972_decoy,ITAL,Decoy,0,-8.11913,-7.08,-1.99,-8.50953965865534
C=CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N(C)Cc3ccccc3)N2[C@H]1c1ccccc1C,C36053142_decoy,ITAL,Decoy,0,-7.92222,-7.22,-2.24,-7.518476644272589
CC(C)(C)c1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2C[C@H]2CCCO2)cc1,C08438566_decoy,ITAL,Decoy,0,-9.07086,-7.8,-3.49,-10.202170943695366
CCCc1ccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccccc2)CCC3)cc1,C38693246_decoy,ITAL,Decoy,0,-8.79929,-8.9,-3.73,-10.202331703973192
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC([O-])=N\C2=N\c2ccc(C)c(C)c2)cc1,C35516254_decoy,ITAL,Decoy,0,-8.19449,-6.01,-2.38,-5.825334805094044
O=C([O-])c1ccc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(c3ccccc3)C2=O)cc1,C39865966_decoy,ITAL,Decoy,0,-8.6511,-8.62,-3.34,-10.228456494921446
C=CCOc1ccc(/C=C(C#N)/C([O-])=N/c2nnc(SCc3ccc(Cl)cc3)s2)cc1,C39997414_decoy,ITAL,Decoy,0,-9.06562,-7.39,-2.68,-9.763171554668356
C=CCSc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(-c3cccc(Br)c3)o2)s1,C39998175_decoy,ITAL,Decoy,0,-7.0806,-6.31,-2.04,-4.184090252122467
N#CC(=C\c1ccc(-c2ccccc2Cl)o1)/C([O-])=N/c1nnc(SCc2ccccc2Cl)s1,C39998205_decoy,ITAL,Decoy,0,-7.84061,-6.08,-3.85,-5.564241778922056
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(N(CC)CC)cc1,C40077173_decoy,ITAL,Decoy,0,-8.11379,-7.84,-3.16,-8.075795460992113
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)cc2C)[C@@H]1c1cccc(Br)c1,C40082600_decoy,ITAL,Decoy,0,-8.28616,-7.72,-1.32,-10.085697128623472
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccccc2Br)cc1C,C40092505_decoy,ITAL,Decoy,0,-8.03006,-8.1,-1.44,-11.622531940877092
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccccc2Br)cc1,C40099713_decoy,ITAL,Decoy,0,-7.54045,-8.05,-2.04,-9.550936725479698
N#CC(=C\c1ccc(OCCOc2ccccc2Cl)cc1)/C([O-])=N/c1nc2ccccc2s1,C41108889_decoy,ITAL,Decoy,0,-7.50454,-7.42,-3.6,-6.281527774799892
COc1cc(/C=C(C#N)/C([O-])=N/c2nc3ccccc3s2)cc(Cl)c1OCc1ccc(F)cc1,C41120627_decoy,ITAL,Decoy,0,-7.50874,-8.49,-2.61,-5.376817266268781
O=S(=O)([N-]c1ccc(F)c(-c2nnc3n2CCCCC3)c1)c1ccc(Cl)c(C(F)(F)F)c1,C45849423_decoy,ITAL,Decoy,0,-8.56018,-10.06,-1.79,-8.515771382974686
O=C1/C(=N\[N-]S(=O)(=O)c2ccccc2)c2ccccc2N1C(c1ccccc1)c1ccccc1,C59156584_decoy,ITAL,Decoy,0,-7.26368,-9.65,-2.65,-7.933784187471057
CCOC(=O)C1=C([O-])/C(=C/c2cc(Br)ccc2OCC)S/C1=N\c1ccc(C)cc1,C59364601_decoy,ITAL,Decoy,0,-8.79488,-4.49,-2.43,-5.794816406507946
CCOC(=O)C1=C([O-])/C(=C/c2cc(C)n(-c3cccc(C)c3)c2C)S/C1=N\c1ccc(OCC)cc1,C59366097_decoy,ITAL,Decoy,0,-8.89184,-7.74,-3.27,-7.004332376951852
CCOC(=O)C1=C([O-])/C(=C/c2ccc(OCC)cc2)S/C1=N\c1ccc(Br)cc1,C59437084_decoy,ITAL,Decoy,0,-6.17519,-4.46,,99.0
CCO/C([O-])=C1\C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)S\C1=N/c1ccc(Cl)cc1,C59437181_decoy,ITAL,Decoy,0,-10.5119,-6.0,-1.9,-6.321316639234164
CCOc1ccc([C@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1,C39731359_decoy,ITAL,Decoy,0,-8.78775,-6.86,-2.3,-6.33188868362742
COc1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)cc1,C39731482_decoy,ITAL,Decoy,0,-10.2395,-7.41,-2.83,-7.220634773767297
C=CCN1C(=O)/C(=C(\[S-])N(CC)c2ccccc2C)S/C1=N\S(=O)(=O)c1ccccc1,C11859585_decoy,ITAL,Decoy,0,-8.86232,-8.19,-2.0,-8.455476786729921
Cc1nc(SCc2nc(-c3ccc(F)c(Br)c3)no2)nc([O-])c1Cc1ccccc1,C65331003_decoy,ITAL,Decoy,0,-8.14709,-8.46,-2.91,-8.089201862933372
CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@@H]3CC=C4C[C@@H](OS(=O)(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C,C37261765_decoy,ITAL,Decoy,0,-9.5756,-4.25,-2.53,-6.532534029196898
COCCOc1ccc(Br)cc1C(=O)Oc1ccc(C(=O)[O-])cc1Br,C66145173_decoy,ITAL,Decoy,0,-7.96457,-7.85,-2.36,-9.346052712047172
CC(C)COc1ccc(Br)cc1C(=O)Oc1ccc(Br)cc1C(=O)[O-],C66145614_decoy,ITAL,Decoy,0,-8.56874,-7.83,-3.62,-9.156664596015323
Cc1cc(Br)ccc1OCC(=O)Nc1sc(C)c(-c2ccccc2)c1C#N,C01787380_decoy,ITAL,Decoy,0,-8.13882,-8.5,-2.88,-7.74244266180511
COC(=O)c1c(-c2ccc(Br)cc2)csc1NC(=O)c1ccc(C)c(C)c1,C02889735_decoy,ITAL,Decoy,0,-8.47275,-5.11,,99.0
CC(C)OC(=O)c1c(-c2ccc(Cl)cc2)csc1NC(=O)[C@@]1(C)CC1(Cl)Cl,C02103080_decoy,ITAL,Decoy,0,-8.49251,-5.99,-4.07,-8.529835884337212
CC(C)CN1C(=O)c2ccccc2[C@H](C(=O)Nc2ccc(C(C)C)cc2)[C@@H]1c1cccs1,C09433038_decoy,ITAL,Decoy,0,-8.9767,-5.78,-2.53,-6.538396412958618
CCc1ccc(NC(=O)[C@H]2c3ccccc3C(=O)N(C3CCCC3)[C@@H]2c2cccs2)cc1,C09433497_decoy,ITAL,Decoy,0,-8.30613,-7.8,-2.6,-7.62158097623419
CC1=C(C(=O)OCCCc2ccccc2)[C@H](c2ccc(F)c(Br)c2)CC(=O)N1,C09860962_decoy,ITAL,Decoy,0,-8.53758,-9.09,-2.0,-8.779943035045951
COc1cc([C@@H]2c3sc(=O)[nH]c3S[C@H]3[C@H]4CC[C@H](C4)[C@H]23)ccc1OCc1ccccc1,C11859711_decoy,ITAL,Decoy,0,-10.0899,-8.2,-3.89,-10.37244071133271
Fc1c(F)c(F)c(/C=N/Nc2nc(-c3ccccc3)cc(-c3ccccc3)n2)c(F)c1F,C13303703_decoy,ITAL,Decoy,0,-8.44656,-7.32,-2.36,-6.108306177080221
C#CCOc1c(Br)cc([C@H]2CC(=O)Nc3ccc4ccccc4c32)cc1OCC,C02113601_decoy,ITAL,Decoy,0,-8.72977,-4.93,-1.87,-5.450747771162725
CCc1ccc(OCC(=O)N/N=C/c2ccc(Br)s2)c(Br)c1,C13977513_decoy,ITAL,Decoy,0,-8.51014,-8.22,-1.58,-7.882419553733872
O=C(COc1ccc(Br)cc1Cl)N/N=C/c1ccc(Br)s1,C13977840_decoy,ITAL,Decoy,0,-8.69541,-7.8,-2.71,-8.48911699558661
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1cccc(Cl)c1Cl)N2,C14476980_decoy,ITAL,Decoy,0,-8.40046,-6.38,-1.59,-6.91618913454692
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@H](c1ccc(Cl)cc1Cl)N2,C14477537_decoy,ITAL,Decoy,0,-9.77997,-5.14,-0.84,-6.227503530018189
Cc1cccc([C@H]2Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3[C@H]3C=CC[C@H]32)c1,C14479768_decoy,ITAL,Decoy,0,-7.89529,-9.96,-3.75,-8.031273354153024
COc1cc([C@@H]2Sc3ccccc3NC3=C2C(=O)CCC3)ccc1OCc1ccccc1,C14671912_decoy,ITAL,Decoy,0,-9.12252,-8.2,-2.72,-7.418357260887889
Cc1ccccc1NC(=O)[C@@H](C)N1C(=O)/C(=C/c2ccc(-c3ccccc3)cc2)SC1=S,C15045591_decoy,ITAL,Decoy,0,-7.31853,-7.31,-3.76,-7.723088661344211
COc1c(F)c(F)c(C(=O)NCc2ccc(-c3nc4ccccc4s3)cc2)c(F)c1F,C16194427_decoy,ITAL,Decoy,0,-8.44216,-8.64,-3.23,-6.892231874292115
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1ccc(SC)cc1,C01184398_decoy,ITAL,Decoy,0,-9.07722,-3.71,-3.29,-5.510749305426075
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)CCC2)[C@H]1c1ccc(Cl)c(Cl)c1,C19631390_decoy,ITAL,Decoy,0,-8.93943,-7.27,,99.0
CC1=C(C(=O)OC2CCCC2)[C@H](c2ccc(C)s2)C2=C(C[C@H](c3cccs3)CC2=O)N1,C09435058_decoy,ITAL,Decoy,0,-9.00363,-7.69,-4.42,-7.663855326371793
COC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H]1c1cc(C)sc1SC,C09982673_decoy,ITAL,Decoy,0,-7.78209,-4.41,-2.51,-5.461667886143254
Cc1cc(C)c(OCC(=O)NN=Cc2cccc(Br)c2)c(Br)c1,C20100930_decoy,ITAL,Decoy,0,-9.62002,-8.43,-2.35,-8.681472973565855
CC[C@H](Br)C(=O)Nc1nc2ccc(OCc3ccc(Cl)cc3)cc2s1,C20132423_decoy,ITAL,Decoy,0,-8.2511,-6.78,-1.46,-8.503231244776083
CCN(c1ccccc1)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@H]1[C@@H](c1ccc(C)s1)N2,C20688781_decoy,ITAL,Decoy,0,-8.672,-9.22,-2.87,-8.35153632429042
CCN(CC)c1ccc([C@H]2Nc3ccc(C(=O)N4CCC(C)CC4)cc3[C@@H]3C=CC[C@@H]23)cc1,C20697500_decoy,ITAL,Decoy,0,-7.95751,-5.81,-2.46,-6.639195605157622
CCN(CC)S(=O)(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1ccc(Cl)cc1Cl)N2,C20712318_decoy,ITAL,Decoy,0,-8.72379,-5.45,-1.36,-5.864502969135198
Cc1ccc(NC(=O)COC(=O)C23C[C@@H]4C[C@@H](CC(Cl)(C4)C2)C3)c(Br)c1,C20750762_decoy,ITAL,Decoy,0,-9.00214,-8.86,-2.53,-8.891737788256775
Cc1cc(C(F)(F)F)c(C#N)c(SCC(=O)Nc2cc(Cl)c(Cl)cc2Cl)n1,C21514532_decoy,ITAL,Decoy,0,-8.36567,-8.45,-3.43,-7.266306788712688
CN(CC(=O)Nc1ccccc1C(F)(F)F)C(=O)c1sc2cc(F)ccc2c1Cl,C21918305_decoy,ITAL,Decoy,0,-8.97306,-9.55,-1.96,-9.507061200812306
C=CCN1C[C@H](C[C@H](C)NS(=O)(=O)c2ccc(C)cc2)c2cc(Br)ccc21,C27691362_decoy,ITAL,Decoy,0,-9.36484,-8.47,-1.87,-10.295459024834969
Cc1cc(Br)cc(C)c1OCC(=O)Nc1nc(-c2ccc(F)cc2)c(C)s1,C28284403_decoy,ITAL,Decoy,0,-8.8171,-8.59,-1.46,-8.091569871191828
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2[C@H]2C=CC[C@@H]21,C36551047_decoy,ITAL,Decoy,0,-9.06511,-5.48,-3.52,-6.210875339651593
CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N(C)c4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1,C36559326_decoy,ITAL,Decoy,0,-9.27406,-9.1,-1.8,-8.060824653227932
Cc1nc(-c2cccc(F)c2)sc1CCNC(=O)C1c2ccccc2Oc2ccccc21,C38668365_decoy,ITAL,Decoy,0,-8.59939,-9.48,-2.74,-7.768049819579349
COC(=O)c1cc(C)cc(Br)c1NCCOc1ccc(Br)cc1,C39289167_decoy,ITAL,Decoy,0,-7.7585,-7.79,-1.76,-8.541770710756623
Cc1ccc(C)c(Cn2c(CNC(=O)c3cccc(Br)c3)nc3ccccc32)c1,C40278535_decoy,ITAL,Decoy,0,-8.26641,-10.27,-1.54,-8.805457538181516
O=C(NCc1nc2ccccc2n1CCC1CCCCC1)c1cccc(Br)c1,C40278583_decoy,ITAL,Decoy,0,-9.0774,-9.22,-2.07,-9.42117430337529
CSc1ccc([C@H]2c3c(-c4ccc(C)cc4)n[nH]c3C(=O)N2CCc2ccccc2)cc1,C40340270_decoy,ITAL,Decoy,0,-9.26297,-5.77,-2.27,-6.887624726588165
Cc1ccc(OCCCC(=O)Nc2nc(-c3ccc(Br)cc3)cs2)c(C)c1,C40869170_decoy,ITAL,Decoy,0,-8.71733,-8.76,-1.53,-7.360027750818365
O=C(COc1ccc(Cl)cc1Br)Nc1nc(-c2ccc(F)cc2)cs1,C40944107_decoy,ITAL,Decoy,0,-8.42168,-7.8,-3.45,-8.887898228204657
Cc1ccc(OCC(=O)Nc2sc(=S)c3c(c2C#N)CC[C@@H](C)C3)c(C(C)(C)C)c1,C41014477_decoy,ITAL,Decoy,0,-9.36918,-8.32,-4.03,-7.75922451891903
C[C@H]1CCc2c(C#N)c(NC(=O)[C@@H](C)Oc3ccc(C(C)(C)C)cc3)sc(=S)c2C1,C41017928_decoy,ITAL,Decoy,0,-8.43776,-4.65,,99.0
C[C@@H]1CCc2c(C#N)c(NC(=O)[C@H](C)Oc3ccc(C(C)(C)C)cc3)sc(=S)c2C1,C41017931_decoy,ITAL,Decoy,0,-10.3305,-4.87,-1.35,-6.255345869657234
CCc1ccc(-c2csc(/C(C#N)=C\c3cc(Br)c(O)c(OC)c3)n2)cc1,C44827425_decoy,ITAL,Decoy,0,-8.79055,-7.98,-1.79,-7.488691668117467
CCOC(=O)c1c(/N=C/c2cc(Br)cc(Br)c2O)sc(C)c1C,C01229966_decoy,ITAL,Decoy,0,-9.24804,-4.45,-1.43,-5.790455265340404
Cc1ccc(/C(=N\S(=O)(=O)c2ccc(Br)cc2)Nc2ccccc2C)cc1,C06076513_decoy,ITAL,Decoy,0,-7.86159,-9.2,-3.13,-8.385315540217059
O=C(Nc1ccc(OC(F)F)cc1OC(F)F)c1ccc(I)cc1,C59000286_decoy,ITAL,Decoy,0,-7.01951,-8.04,-1.73,-7.25753510380284
C=C(C)[C@H]1CC=C(C)/C(=N/NC(=O)COc2ccc(Br)cc2Br)C1,C12584098_decoy,ITAL,Decoy,0,-7.73093,-7.2,-3.79,-7.134137875711177
Cc1ccc(S(=O)(=O)Nc2ccccc2/N=C\c2c(F)c(F)c(F)c(F)c2F)cc1,C16923191_decoy,ITAL,Decoy,0,-8.51515,-9.3,-2.02,-8.613692082275039
O=C(Nc1ccccc1C(F)(F)F)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)s1,C65085403_decoy,ITAL,Decoy,0,-8.39671,-8.25,-2.26,-7.345157177294581
C=C(Br)CSc1nc2sc3c(c2c(=O)n1-c1ccc(OC)cc1)CC(C)(C)OC3,C02183439_decoy,ITAL,Decoy,0,-9.96561,-7.23,-1.92,-8.737280022137876
CCOC(=O)C1=CS[C@@]2(S1)C(C(=O)OCC)=CSC1=C2c2ccccc2N(CC)C1(C)C,C02302639_decoy,ITAL,Decoy,0,-9.31103,-4.36,-1.58,-5.950670568345337
CCOc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(I)c1OC(C)C,C02177764_decoy,ITAL,Decoy,0,-7.87352,-7.72,-3.8,-7.308980347822902
CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2cccc(Cl)c2)C1C(=O)OC[C@@H]1CCCO1,C08439726_decoy,ITAL,Decoy,0,-8.83824,-5.29,-3.07,-5.2734345053842
COc1c(Cl)cc(C(=O)N(Cc2ccc(C(C)(C)C)cc2)[C@@H]2CCS(=O)(=O)C2)cc1Cl,C08869680_decoy,ITAL,Decoy,0,-8.51587,-7.6,-2.7,-9.439401193623862
Cc1cc(OC(C)C)ccc1-c1nn(-c2ccccc2)cc1/C=C1\SC(=S)N(CC(C)C)C1=O,C02340048_decoy,ITAL,Decoy,0,-8.94118,-6.44,-2.89,-7.8667677522923345
CC[C@H]1SC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3ccc(I)cc3)N2C1=O,C09461599_decoy,ITAL,Decoy,0,-9.68325,-7.38,-1.72,-9.533790679707389
Cc1ccc(-n2c(=S)sc3c(=O)n(-c4ccccc4)c(SCc4csc(C)n4)nc32)c(C)c1,C03026860_decoy,ITAL,Decoy,0,-9.68626,-5.88,-1.8,-7.050637114419504
CSCCn1/c(=N/C(=O)c2cccc(SC(C)C)c2)sc2cc(S(C)(=O)=O)ccc21,C09566285_decoy,ITAL,Decoy,0,-10.4661,-6.13,-2.67,-9.39426041551944
CSCCn1/c(=N/C(=O)c2ccc(SC(C)C)cc2)sc2cc(S(C)(=O)=O)ccc21,C09566385_decoy,ITAL,Decoy,0,-9.60503,-4.76,-2.86,-5.675157924868586
O=C(CSc1nc2ccccc2c(=O)n1-c1ccccc1F)N1CCS[C@@H]1c1ccccc1F,C10079633_decoy,ITAL,Decoy,0,-8.27137,-8.13,-3.79,-8.0123675301216
CCS(=O)(=O)c1ccccc1C(=O)N(Cc1ccccc1)c1nc2ccc(SC)cc2s1,C10830747_decoy,ITAL,Decoy,0,-7.85197,-7.53,-2.02,-7.698231323334447
C=CCn1c(SCc2csc(-c3ccccn3)n2)nc2scc(-c3cccs3)c2c1=O,C12241299_decoy,ITAL,Decoy,0,-10.0595,-4.4,-1.82,-5.271703597957711
CC1=NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccc(OC(=O)c2cccs2)cc1,C12412748_decoy,ITAL,Decoy,0,-8.31527,-5.61,-3.13,-5.244351053643591
CCn1/c(=N/C(=O)CCCS(=O)(=O)c2ccc(C)cc2)sc2cc(Br)ccc21,C12630312_decoy,ITAL,Decoy,0,-9.26414,-7.57,-2.34,-8.150100217317428
CC(C)(C)C(=O)CSc1nc2c(sc(=S)n2-c2ccccc2F)c(=O)n1-c1ccccc1,C03018764_decoy,ITAL,Decoy,0,-8.32752,-4.77,-2.04,-5.672524045610896
CSCCn1/c(=N/C(=O)CS(=O)(=O)Cc2ccccc2)sc2cc(Br)ccc21,C12311056_decoy,ITAL,Decoy,0,-10.8175,-7.73,-1.71,-9.736593033046956
CN(C)c1ccc(/C=c2\s/c(=C\c3nc4ccccc4s3)n(CC(=O)c3ccccc3)c2=O)cc1,C12546891_decoy,ITAL,Decoy,0,-7.98744,-9.67,-2.53,-9.13273182765688
CCOC(=O)[C@H](C)Sc1nc2ccc(I)cc2c(=O)n1-c1cccc(C)c1,C02232231_decoy,ITAL,Decoy,0,-8.68617,-8.48,-2.57,-9.629789466057392
CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2cccc(Cl)c2)C1C(=O)OC[C@H]1CCCO1,C15240681_decoy,ITAL,Decoy,0,-9.79317,-4.88,-3.13,-6.117452785075188
CSc1ccc([C@@H]2C3=C(C[C@H](c4cccs4)CC3=O)N=C(C)C2C(=O)OC[C@@H]2CCCO2)cc1,C12384670_decoy,ITAL,Decoy,0,-9.90799,-5.37,-2.63,-7.303102824905529
COCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1)C(=O)C12CC3CC(CC(C3)C1)C2,C16486461_decoy,ITAL,Decoy,0,-9.24456,-7.12,-3.44,-7.779669606989191
COCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C)cc1)C(=O)c1cccc2ccccc12,C16500635_decoy,ITAL,Decoy,0,-9.62569,-8.63,-2.36,-11.126316782907317
CCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2ccc(OC)cc2)C(C)(C)C)cc1,C16507137_decoy,ITAL,Decoy,0,-8.73552,-7.53,-3.66,-9.051957247823648
CCc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@H]2c2ccccc2C)C[C@H]2CCCO2)cc1,C16530415_decoy,ITAL,Decoy,0,-9.78214,-7.42,-2.08,-8.11363715304461
CC(C)N(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1cccc(Cl)c1)C(=O)c1cccc(F)c1,C16569589_decoy,ITAL,Decoy,0,-7.18585,-5.09,-3.12,-4.96611472168931
C=CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCC)c(Cl)c2)SC1=S,C16732682_decoy,ITAL,Decoy,0,-8.59885,-6.78,-2.75,-7.098993330111464
Cc1ccc(C(=O)Cn2nc(COc3ccc(Br)cc3)n(-c3ccccc3C)c2=S)cc1,C16768956_decoy,ITAL,Decoy,0,-8.24544,-5.51,-2.49,-5.950281463377689
O=C1S/C(=C/c2ccccc2F)C(=O)N1[C@@H](N1CCN(c2ccccc2)CC1)C(Cl)(Cl)Cl,C20266038_decoy,ITAL,Decoy,0,-8.61178,-8.54,-1.37,-7.513721750252466
Cc1ccccc1-n1c(=S)sc2c(=O)n(-c3ccccc3)c(SCc3ccccc3C#N)nc21,C03043127_decoy,ITAL,Decoy,0,-8.57922,-5.12,-2.42,-5.900050379949127
Cc1ccc(S(=O)(=O)N(CC(=O)N(C)Cc2ccccc2)c2cccc(Br)c2)cc1,C22276232_decoy,ITAL,Decoy,0,-8.59761,-9.41,-1.24,-12.149950577773488
O=S(=O)(c1ccc2c(c1)nc(SCc1cc(F)c(F)cc1F)n2CC1CC1)N1CCCC1,C23454454_decoy,ITAL,Decoy,0,-8.19143,-8.05,-2.62,-5.959956862230116
Cc1ccc(C23C[C@@H]4C[C@@H](CC(C(=O)N5CCN(S(=O)(=O)Cc6ccccc6)CC5)(C4)C2)C3)cc1,C28896374_decoy,ITAL,Decoy,0,-9.1725,-10.06,-2.15,-11.156742834593295
O=C(CCCCSc1nc2ccccc2c(=O)n1-c1ccccc1F)N1CCc2ccccc2C1,C35141628_decoy,ITAL,Decoy,0,-7.93678,-9.22,,99.0
Cc1cccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)c2ccc(F)cc2)C(C)C)c1,C35230914_decoy,ITAL,Decoy,0,-6.7346,-5.73,-3.63,-5.257244605225479
Cc1cc(C)n(CCN(C(=O)CSc2ccc(Cl)cc2)c2nc3c(F)cc(F)cc3s2)n1,C38902471_decoy,ITAL,Decoy,0,-10.0031,-9.46,-2.74,-8.967575573390313
CC(C)S(=O)(=O)c1cc(F)cc(/C=C2\CCCn3c2nc2c(Cc4ccccc4)cccc2c3=O)c1,C39483145_decoy,ITAL,Decoy,0,-9.67064,-9.35,-3.69,-10.984145785832814
Cc1cccc2c(=O)n3c(nc12)/C(=C/c1cc(Cc2ccccc2)cc(S(=O)(=O)C(C)C)c1)CCC3,C39483163_decoy,ITAL,Decoy,0,-8.65685,-10.53,-3.37,-8.253505622088433
C=CCOc1ccc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2cccc(Br)c2)cc1,C39876409_decoy,ITAL,Decoy,0,-8.18726,-4.79,-1.91,-5.312711402004857
CCCCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cc(C)c3c(c2)C[C@@H](C)O3)SC1=S,C40022190_decoy,ITAL,Decoy,0,-9.24765,-6.5,-2.8,-7.624290624905933
Cc1ccc2c(=O)c3c(oc2c1C)C(=O)N(CCCOC(C)C)[C@H]3c1ccc(Br)cc1,C40063555_decoy,ITAL,Decoy,0,-8.49028,-4.83,-1.91,-5.5051651209949615
O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2)CN1c1ccccc1Br,C40252691_decoy,ITAL,Decoy,0,-8.48211,-7.63,-3.53,-7.1634914129303935
O=C(c1ccc2ccccc2c1)N(CCc1csc2nc(-c3ccc(F)cc3)cn12)C[C@H]1CCCO1,C40374444_decoy,ITAL,Decoy,0,-10.1257,-8.88,-3.3,-9.467820748683517
COc1ccc(CN2C(=O)/C(=C/c3cc4cc(C)ccc4nc3N3CCC(C)CC3)SC2=S)cc1,C40562539_decoy,ITAL,Decoy,0,-8.40869,-6.3,-2.83,-6.300918298629104
COC(=O)[C@@H](c1ccccc1)N1C(=O)/C(=C/c2cn(Cc3ccccc3)c3ccccc23)SC1=S,C40937726_decoy,ITAL,Decoy,0,-9.04717,-8.39,-2.76,-9.960241068296162
O=C(COC(=O)c1cc(-c2ccccn2)nc2ccc(I)cc12)c1ccccc1,C44787372_decoy,ITAL,Decoy,0,-8.15202,-8.78,-1.93,-9.210564659134784
CCc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4ccccc4F)c4ccccc34)C(=O)N(C)C2=S)cc1,C59594226_decoy,ITAL,Decoy,0,-9.5799,-6.58,-3.77,-7.328482256145741
CCc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4cccc(F)c4)c4ccccc34)C(=O)N(C)C2=S)cc1,C59595437_decoy,ITAL,Decoy,0,-7.66867,-5.07,-2.42,-4.776511868598275
O=C1N=C(CN(Cc2ccccc2)C(=O)C23CC4CC(CC(C4)C2)C3)N=C2S[C@@H]3CCCCC3=C12,C38952644_decoy,ITAL,Decoy,0,-8.0372,-5.61,-4.05,-5.219954328903969
O=C1N=C(CN(Cc2cccs2)C(=O)C23CC4CC(CC(C4)C2)C3)N=C2S[C@H]3CCCCC3=C12,C38952783_decoy,ITAL,Decoy,0,-9.12164,-6.96,-3.2,-7.22027023696924
O=S(=O)(c1ccccc1)c1nc(-c2ccc(F)cc2)oc1SCc1ccc(F)cc1,C02721729_decoy,ITAL,Decoy,0,-9.81166,-10.23,-4.85,-9.68105783377798
CC(C)[C@@H]1Cc2c(sc3nc(SCc4ccccc4)n(-c4ccccc4)c(=O)c23)CO1,C01778572_decoy,ITAL,Decoy,0,-9.14475,-5.95,-4.22,-6.106913191160095
Cc1ccc(Cn2c(-c3ccccc3)cc(C)c(S(=O)(=O)c3cccc(C)c3)c2=O)cc1,C08781465_decoy,ITAL,Decoy,0,-8.82903,-5.92,-3.79,-6.2568517965286174
COc1ccc(-n2c(SCc3ccc(C)cc3C)nc3sc4c(c3c2=O)CCC4)cc1,C01903458_decoy,ITAL,Decoy,0,-8.28193,-9.63,-1.67,-7.955327250965658
CC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@@H](c2ccccc2F)C1C(=O)OC1CCCC1,C00861068_decoy,ITAL,Decoy,0,-8.99024,-10.89,-2.67,-9.077097117281165
C=C(C)CSc1nc2sc3c(c2c(=O)n1CCc1ccccc1)C[C@H](C(C)C)OC3,C01322026_decoy,ITAL,Decoy,0,-9.13353,-8.54,-3.57,-9.12887727913789
O=C(CCSc1ccccc1)N(/N=C/c1cccs1)c1nc2ccc(F)cc2s1,C09148906_decoy,ITAL,Decoy,0,-10.6344,-5.53,-2.01,-7.072152328379032
Cc1ccc(N2C(=O)/C(=C\c3ccc(OCCOc4ccccc4)cc3)SC2=S)cc1C,C09232327_decoy,ITAL,Decoy,0,-7.33297,-6.32,-3.36,-5.286158795794178
CCOc1ccc(-n2c(SCc3ccc(C(F)(F)F)cc3)nc3c(c2=O)SCC3)cc1,C02719921_decoy,ITAL,Decoy,0,-8.40708,-8.78,,99.0
CCCN(C(=O)[C@H]1c2ccccc2C(=O)N(CC(C)C)[C@H]1c1cccs1)c1ccccc1C,C09433082_decoy,ITAL,Decoy,0,-8.17455,-4.01,-2.87,-5.305397337928534
Clc1ccc(-n2c(SCc3c(Cl)cccc3Cl)nnc2-c2ccncc2)cc1,C02261065_decoy,ITAL,Decoy,0,-9.58156,-8.57,-1.87,-8.477967411012802
Cc1ccc(-n2c(SCC(=O)c3ccccc3)nc3c(sc4ccccc43)c2=O)cc1,C09664667_decoy,ITAL,Decoy,0,-8.73145,-9.94,-4.28,-8.78543540878056
CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H](c2cccc(F)c2)C1C(=O)OCC(C)C,C09679906_decoy,ITAL,Decoy,0,-9.09532,-4.52,-1.02,-5.661279741730321
CCc1cccc2sc(N(Cc3ccco3)C(=O)c3ccc(Br)s3)nc12,C10527554_decoy,ITAL,Decoy,0,-10.3058,-5.01,-3.37,-6.068495212330944
CSc1cccc2sc(N(Cc3ccco3)C(=O)CSc3ccc(Cl)cc3)nc12,C10821026_decoy,ITAL,Decoy,0,-9.60045,-8.1,-2.66,-8.66691189486081
O=C(C(c1ccccc1)c1ccccc1)N(C[C@H]1CCCO1)c1nc2ccc(Cl)cc2s1,C11060169_decoy,ITAL,Decoy,0,-10.0292,-7.07,-2.19,-8.428408117694415
Brc1ccc(OCCSc2nc(C3CCCCC3)n(-c3ccccc3)n2)cc1,C12532851_decoy,ITAL,Decoy,0,-8.61989,-8.99,-2.74,-8.583456310302177
Cc1ccc(N=[P@](c2c(C)nn(-c3ccccc3)c2C)(N(C)C)C(C)(C)C)cc1Cl,C12559149_decoy,ITAL,Decoy,0,-7.53708,-9.11,-4.06,-9.755073508056604
Cc1ccc(-n2c(C)cc(/C=C(\C#N)C(=O)c3cc(C)n(C4CCCC4)c3C)c2C)c(C)c1,C12560406_decoy,ITAL,Decoy,0,-8.18997,-8.47,-4.22,-7.1315933040818535
CCCCOc1ccc(-c2nc(-c3cccc(I)c3)cc(=O)o2)cc1,C01820162_decoy,ITAL,Decoy,0,-8.0621,-8.11,-1.93,-8.356703615997612
COCCOc1ccc(C(=O)Oc2c(C)cc(Br)cc2C)cc1Br,C14782840_decoy,ITAL,Decoy,0,-9.03554,-6.97,-2.33,-8.145846212541638
CCOc1ccc(/C=C(\C#N)c2nc(-c3ccc(Cl)cc3Cl)cs2)c(OCC)c1,C16671741_decoy,ITAL,Decoy,0,-9.19527,-7.47,-2.0,-8.89302262878421
C=CCN1C(=O)/C(=C2/C(=O)N(CCCCCC)c3ccc(Br)cc32)SC1=S,C16731836_decoy,ITAL,Decoy,0,-9.52898,-4.13,-2.41,-5.907007100554745
CC1(C)N(/N=C\c2ccccc2)[C@H](c2ccccc2)[C@H](c2ccccc2)N1/N=C/c1ccccc1,C17140156_decoy,ITAL,Decoy,0,-8.5803,-4.73,-2.38,-5.853193713438263
COc1ccc(-n2c(SCc3cccc(C(F)(F)F)c3)nnc2-c2cccs2)cc1,C03355772_decoy,ITAL,Decoy,0,-9.12157,-8.62,-3.08,-9.167066916405735
Cc1ccc(-c2ccc(CCC(=O)N3CCC(C)CC3)n2-c2ccc(CC#N)cc2)c(C)c1,C23427993_decoy,ITAL,Decoy,0,-8.7242,-8.95,-3.07,-9.501444713263677
CC(C)c1ccc(S(=O)(=O)N2CCN([C@H](c3ccccc3)c3ccc(F)cc3)CC2)cc1,C23435694_decoy,ITAL,Decoy,0,-8.17699,-9.49,-2.3,-7.830448235177693
CC1=C(C)c2c(sc3c2c(=O)n(Cc2ccc(F)cc2)c(=O)n3CCc2ccccc2)C1,C34724176_decoy,ITAL,Decoy,0,-9.23286,-5.8,-3.08,-6.019787255064136
O=C(c1cn2c(n1)CC[C@H](c1cccc(F)c1)C2)N(CCc1ccccc1)Cc1ccccc1,C35955118_decoy,ITAL,Decoy,0,-8.54066,-8.94,-1.31,-10.846111278900688
CN(C)c1ccc(CN(C[C@H]2CCCO2)C(=O)c2sc3cc(Cl)ccc3c2Cl)cc1,C38643219_decoy,ITAL,Decoy,0,-10.0864,-7.21,-3.06,-8.79081058249813
CCCCCCN1C(=O)/C(=C/c2cc3cccc(C)c3nc2N2CCCCC2)SC1=S,C38732126_decoy,ITAL,Decoy,0,-8.94201,-7.67,-2.02,-7.945576598752908
C[C@@H]1CCC2=C3C(=O)N=C(SCC(=O)c4ccc(-c5ccccc5)cc4)N=C3S[C@H]2C1,C38747558_decoy,ITAL,Decoy,0,-8.57346,-7.65,-2.57,-6.539121737206052
CCOc1ccc(Br)cc1/C=N/N=C/c1cc(Br)ccc1OCC,C01754820_decoy,ITAL,Decoy,0,-8.08289,-6.76,-2.09,-7.776630105590973
Cc1cc(Br)c2c(c1)C(=O)C(=O)N2CCCCOc1ccc(C(C)(C)C)cc1,C39289012_decoy,ITAL,Decoy,0,-7.78268,-8.06,-3.24,-8.350544724114199
CCOc1c2c(nc3ccccc13)-c1c(c(Cc3ccccc3)c(C)n1SC)CCC2=O,C39457483_decoy,ITAL,Decoy,0,-8.98993,-5.99,-3.0,-6.08708345539771
CCC[C@]1(C)CN(SC)C(=O)N1CC1(C2CCCCC2)CCN(Br)CC1,C39487499_decoy,ITAL,Decoy,0,-9.48223,-7.4,-2.64,-8.903027770237292
O=C(Cc1ccccc1)N(Cc1ccccc1)c1nnc(C23CC4CC(CC(C4)C2)C3)s1,C39724154_decoy,ITAL,Decoy,0,-8.99857,-5.2,-4.78,-5.730650040938764
COc1ccc(N(Cc2ccccc2)C(=O)Cc2coc3ccc(Br)cc23)cc1,C39883387_decoy,ITAL,Decoy,0,-8.84032,-7.85,-1.93,-15.64748052111997
C=CCn1c(SCC(=O)c2ccc(F)cc2)nc2c(c1=O)[C@@](C)(CC)Cc1ccccc1-2,C40032517_decoy,ITAL,Decoy,0,-8.21505,-8.84,-2.04,-8.618084812216827
CCCCN1C(=O)c2oc3ccc(CC)cc3c(=O)c2[C@@H]1c1cccc(Br)c1,C40041838_decoy,ITAL,Decoy,0,-9.58971,-5.43,-1.45,-6.136511483851705
CC1(C)[C@H](c2nc(C#N)c(N(Cc3ccccc3)Cc3ccccc3)o2)[C@@H]1C=C(Cl)Cl,C40062342_decoy,ITAL,Decoy,0,-8.99262,-9.29,-3.12,-9.703675317700675
CC(C)(C)c1ccc(Cn2c([C@@H]3CC(=O)N(Cc4ccc(F)cc4)C3)nc3ccccc32)cc1,C40272801_decoy,ITAL,Decoy,0,-8.67431,-5.51,-1.93,-5.509821978145281
O=C(CCc1ncc(-c2ccc(Cl)cc2)o1)Oc1ccc(I)cc1,C41019145_decoy,ITAL,Decoy,0,-8.42613,-7.9,-1.19,-8.845070060142417
C=CCn1c(N(Cc2ccccc2)Cc2ccccc2)nc2sc3c(c2c1=O)CCCC3,C41394385_decoy,ITAL,Decoy,0,-10.0673,-8.19,-2.55,-9.776504467819567
O=c1c2sc3ncccc3c2nc(SCc2ccccc2F)n1Cc1ccc(F)cc1,C45923648_decoy,ITAL,Decoy,0,-7.5812,-6.68,-1.64,-6.064735091690878
COc1ccc(-c2nnc(SCc3cccc(C(F)(F)F)c3)c3nc(C)sc23)cc1,C36668236_decoy,ITAL,Decoy,0,-6.92838,-5.71,-2.73,-4.12400398255571
Cc1sc2nc(SCCOc3ccccc3Cl)n(-c3ccccc3)c(=O)c2c1C,C59109301_decoy,ITAL,Decoy,0,-9.26966,-5.83,-1.88,-6.294021040338391
CN(C)c1ccc(/C=N/c2cc(-c3ccc(Br)cc3)nn2-c2ccccc2)cc1,C03094747_decoy,ITAL,Decoy,0,-7.41066,-7.23,-1.22,-4.807916215421161
COc1cccc(/C=C2\Oc3c(ccc(OCc4c(F)c(F)c(F)c(F)c4F)c3C)C2=O)c1,C41435995_decoy,ITAL,Decoy,0,-8.36559,-7.27,-1.68,-6.396583097155602
CCn1cc(/C=C2\Oc3c(ccc(OCc4c(F)cccc4F)c3C)C2=O)c2ccccc21,C41508760_decoy,ITAL,Decoy,0,-7.9543,-9.14,-3.22,-6.936149684993262
CCOc1ccc(-c2cn3c(n2)sc2cc(C(=O)NCCC[NH+]4CCCC[C@H]4C)ccc23)cc1,C09406634_decoy,ITAL,Decoy,0,-7.6346,-6.05,-3.45,-5.60749548164019
COc1ccc2c(c1)c(/C=C1/Oc3c(ccc(O)c3C[NH+](CC(C)C)CC(C)C)C1=O)cn2C,C09422256_decoy,ITAL,Decoy,0,-9.00338,-7.52,-3.19,-7.684839947600514
C[C@H](c1nnc(SCC(=O)Nc2ccc(C(C)(C)C)cc2)n1-c1ccc(Cl)cc1)[NH+](C)C,C02650421_decoy,ITAL,Decoy,0,-8.4198,-7.12,-3.89,-7.737552064905276
O=C(Nc1ccccc1)c1ccc(CSc2nnc(C[NH+]3CCCCC3)n2-c2ccccc2)cc1,C11228461_decoy,ITAL,Decoy,0,-9.63138,-7.48,-2.94,-7.340981135135919
CC[NH+](CC)CCSc1nc2c([nH]c3ccccc32)c(=O)n1-c1ccc(OC(F)(F)F)cc1,C10244405_decoy,ITAL,Decoy,0,-8.7781,-8.06,-2.23,-8.60194768020906
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OC[C@@H](O)C[NH+]3CCCC[C@@H]3C)cc12,C09546581_decoy,ITAL,Decoy,0,-8.68099,-4.89,-3.21,-6.516015794039011
C=CCOc1ccc(C(=O)C2=C(O)C(=O)N(CC[NH+](C)C)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1,C08892986_decoy,ITAL,Decoy,0,-9.64211,-5.75,-3.14,-7.209753866442545
COc1ccc(CC[NH2+]Cc2cc(Br)ccc2OCc2ccccc2F)cc1OC,C16227422_decoy,ITAL,Decoy,0,-9.68165,-8.62,-1.95,-9.914557625610511
Cc1ccc(OCC[NH+]2CCN(C[C@H](O)CON=C3c4ccccc4-c4ccccc43)CC2)cc1,C19891817_decoy,ITAL,Decoy,0,-8.60514,-8.93,-1.87,-10.444194083095304
CC1CC[NH+](CCCN(Cc2cccs2)C(=S)Nc2ccc(Oc3ccccc3)cc2)CC1,C20107679_decoy,ITAL,Decoy,0,-8.76878,-7.45,-2.75,-7.678138035354338
Cc1cc(-c2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)o2)ccc1Br,C20875860_decoy,ITAL,Decoy,0,-5.73805,-7.64,-2.31,-5.015975965109563
Clc1ccc(OCc2ccccc2Cl)c(C[NH2+]CCSc2nnnn2-c2ccccc2)c1,C22107977_decoy,ITAL,Decoy,0,-9.66947,-9.39,,99.0
CC[C@@H]1CCCC[NH+]1CCCNC(=O)CN(c1cc(C)ccc1C)S(=O)(=O)c1ccc(C)cc1,C22317636_decoy,ITAL,Decoy,0,-9.23773,-8.62,-2.69,-10.835408921138056
CCCCOc1cccc(C(=O)N(CCC/[NH+]=c2\cc(O)oc3ccccc23)Cc2ccccc2)c1,C22473151_decoy,ITAL,Decoy,0,-9.09901,-7.74,-4.01,-9.225035421095436
C[C@H](c1nnc(SCC(=O)Nc2ccccc2C(C)(C)C)n1-c1ccc(Cl)cc1)[NH+](C)C,C03376106_decoy,ITAL,Decoy,0,-8.4326,-7.39,-3.01,-7.858805150378093
Cc1ccc(OCCOC[C@@H](O)CN2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)cc1C,C22822256_decoy,ITAL,Decoy,0,-8.83974,-8.58,,99.0
C[C@H](Sc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)C(=O)Nc1ccc(C(C)(C)C)cc1,C23483198_decoy,ITAL,Decoy,0,-8.40464,-7.52,-4.49,-8.94714121972222
CCc1ccc(-c2noc(CCC(=O)NCc3ccccc3-c3ccc(C[NH+](C)C)cc3)n2)cc1,C25521501_decoy,ITAL,Decoy,0,-7.48867,-8.06,-3.01,-6.994425874922681
COc1ccc(C(=O)[C@@H]2[C@@H](c3ccc(OC)cc3)[C@@H](C(=O)NCc3ccccc3)[NH+]3C=CC=C[C@@H]23)cc1,C32117006_decoy,ITAL,Decoy,0,-8.72054,-5.58,-3.26,-6.053886781735526
CC[NH+](CC)CCC[C@@H](C)NC(=O)c1cc(-c2ccc(C)c(C)c2)nn1-c1ccc(OC)cc1,C35250296_decoy,ITAL,Decoy,0,-7.84368,-6.07,-3.11,-8.172589428506523
O[C@H](COCc1ccccc1)C[NH+](Cc1cccn1Cc1ccc(F)cc1)CC1CCCCC1,C35498749_decoy,ITAL,Decoy,0,-8.81725,-7.7,-4.13,-9.319950064979286
O[C@H](COCc1ccccc1)C[NH+](Cc1ccccc1F)C[C@@H]1CC(c2ccc(Cl)cc2)=NO1,C35743053_decoy,ITAL,Decoy,0,-9.5482,-8.95,-1.51,-12.110536733598218
CCCC[C@@H](O)C[NH+](Cc1ccccc1)Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1,C35782576_decoy,ITAL,Decoy,0,-9.83301,-8.06,-3.56,-9.49469958240363
O[C@@H](COCc1ccccc1)C[NH+](Cc1cccn1Cc1ccccc1F)CC1CCCCC1,C35840641_decoy,ITAL,Decoy,0,-9.62047,-7.86,-2.13,-10.053108184195423
COc1ccc(OC[C@H](O)C[NH+](Cc2cccn2Cc2cccc(F)c2)C2CCCCC2)cc1,C35840802_decoy,ITAL,Decoy,0,-9.07777,-8.04,-2.67,-8.709448523312616
C=CCC[C@@H](O)C[NH+](Cc1nn(-c2ccc(F)cc2)c2c1CN(Cc1ccccc1F)CC2)C(C)C,C35931206_decoy,ITAL,Decoy,0,-9.62104,-7.98,-3.59,-9.424533810192546
Cc1ccccc1C1=NO[C@@H](C[NH+](Cc2ccc(F)cc2F)C[C@H](O)COc2ccccc2)C1,C36145939_decoy,ITAL,Decoy,0,-8.41914,-8.78,-2.06,-8.86047227885213
CC(C)OC[C@H](O)C[NH+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1,C36146368_decoy,ITAL,Decoy,0,-8.80742,-7.84,-3.08,-8.505632204752976
CC(C)COC[C@@H](O)C[NH+](Cc1ccc(F)cc1)C[C@@H]1CC(c2ccc(Cl)c(Cl)c2)=NO1,C36146373_decoy,ITAL,Decoy,0,-9.26093,-7.93,-3.07,-8.579512298952672
COCCC[NH+](Cc1cccc(C)c1)Cc1ccc(C(O)(c2cccs2)c2cccs2)o1,C36203485_decoy,ITAL,Decoy,0,-8.84122,-6.72,-3.21,-7.538398817125333
CC(C)[C@@H](O)C[NH+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccccc1Cl)C[C@@H]1CCCO1,C36305024_decoy,ITAL,Decoy,0,-10.6045,-7.06,-3.62,-9.005002426275807
Cn1nc(-c2ccccc2)c(C[NH+](C[C@H](O)COC(C)(C)C)C2CC2)c1Oc1ccc(Cl)cc1,C36305157_decoy,ITAL,Decoy,0,-8.89701,-7.61,-2.74,-8.575111256875743
CC(C)[C@@H](O)C[NH+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(Cl)cc1)C[C@@H]1CCCO1,C36305185_decoy,ITAL,Decoy,0,-9.47253,-7.3,,99.0
COc1ccc(Oc2c(C[NH+](C[C@H](O)Cc3ccccc3)C(C)C)c(-c3ccccc3)nn2C)cc1,C36306097_decoy,ITAL,Decoy,0,-7.77694,-8.09,-1.76,-8.14425571262053
CCC[C@@H](O)C[NH+](Cc1ccco1)Cc1c(-c2ccccc2)nn(C)c1Oc1cccc(F)c1,C36306991_decoy,ITAL,Decoy,0,-9.84129,-8.87,-4.04,-10.206645497666122
CC(C)c1nn(-c2ccccc2)c(Oc2ccccc2F)c1C[NH+](CC1CC1)C[C@H](O)C(C)C,C36307927_decoy,ITAL,Decoy,0,-9.62359,-8.35,-3.91,-10.098896740933744
CCC[C@@H](O)C[NH+](CCC(C)C)CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(C)cc1,C36309166_decoy,ITAL,Decoy,0,-9.50416,-7.67,-2.97,-8.739771105899342
C=CCC[C@H](O)C[NH+](Cc1c(-c2ccccc2)nn(C)c1Oc1ccc(F)cc1F)CC(C)C,C36316109_decoy,ITAL,Decoy,0,-9.11814,-6.78,-3.47,-9.44777915266656
Cc1ccc(Oc2c(C[NH+](C[C@@H](O)COC(C)(C)C)C3CC3)c(C)nn2-c2ccccc2)cc1,C36345894_decoy,ITAL,Decoy,0,-8.65362,-8.75,-2.29,-8.926066462563956
O[C@@H](COCCOc1c(F)cc(Br)cc1F)C[NH+]1CCC(Cc2ccccc2)CC1,C39916133_decoy,ITAL,Decoy,0,-7.98493,-8.36,-2.84,-7.473472655654093
Clc1ccc(COc2ccc(C[NH2+]CCSc3nnnn3-c3ccccc3)cc2)cc1Cl,C40721908_decoy,ITAL,Decoy,0,-8.64824,-8.19,-3.74,-7.933260789842062
CCOc1cc(C[NH2+]CCCOC(C)C)cc(Br)c1OCc1ccc(F)cc1Cl,C40740466_decoy,ITAL,Decoy,0,-9.40142,-7.33,-3.02,-2.715102356250434
Cc1nn(CC(C)C)c(C)c1CCC(=O)NCc1ccccc1-c1ccc(C[NH+]2CCCC2)cc1,C29096941_decoy,ITAL,Decoy,0,-9.44378,-7.56,-3.73,-7.970194578907149
COc1ccc([C@H](CNC(=O)Cc2c(-c3ccc(F)c(C)c3)nc3ccc(C)cn23)[NH+](C)C)cc1,C62049254_decoy,ITAL,Decoy,0,-7.87661,-7.21,-3.66,-8.130536704128671
C=C(C)COc1ccc2c(c1)OC(=O)[C@H](CC(=O)NCCC1=c3cc(Cl)ccc3=[NH+]C1)[C@H]2C,C63485913_decoy,ITAL,Decoy,0,-7.04276,-8.09,-3.03,-6.818770969682961
Fc1ccc([C@@H]([NH2+]CCCN2CCN(c3ccccc3F)CC2)c2nnc(-c3ccccc3)o2)cc1,C15733633_decoy,ITAL,Decoy,0,-8.25425,-6.63,-3.13,-6.076159496835729
Fc1ccc([C@H]([NH2+]CCCN2CCN(c3ccccc3F)CC2)c2nnc(-c3ccccc3)o2)cc1,C15733634_decoy,ITAL,Decoy,0,-9.41004,-6.14,-1.95,-6.502982660640262
COc1ccc(OC)c(NC(=S)N(CCC2=c3cc(F)ccc3=[NH+][C@H]2C)Cc2cccs2)c1,C63655251_decoy,ITAL,Decoy,0,-9.21978,-7.65,-1.76,-8.747049966368357
COc1ccc2c(c1)=C(CCN(Cc1cccs1)C(=S)NCCc1ccccc1)[C@H](C)[NH+]=2,C63655409_decoy,ITAL,Decoy,0,-8.98182,-7.13,-1.68,-8.287185522806903
CCOc1ccc(CNC(=O)c2ccc(-c3c(-c4ccc(C)cc4)[nH+]cn3C3CCCC3)o2)cc1,C65055019_decoy,ITAL,Decoy,0,-8.28662,-5.62,-2.03,-5.905152862670722
C=CCOc1c(I)cc(/C=C2\N=C(c3ccc(C)cc3)OC2=O)cc1OC,C06798085_decoy,ITAL,Decoy,0,-8.26548,-8.21,-1.51,-7.603486258515176
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(Br)cc1)N(CCCOC(C)C)C3=O,C02422967_decoy,ITAL,Decoy,0,-8.00032,-5.65,-3.98,-6.821169082405679
CCS(=O)(=O)c1cccc(C(=O)N(Cc2ccccc2)c2nc3c(Cl)cccc3s2)c1,C09524768_decoy,ITAL,Decoy,0,-9.17005,-8.29,-1.48,-12.962878713389625
C[C@H](Sc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)C(=O)C12CC3CC(CC(C3)C1)C2,C09535666_decoy,ITAL,Decoy,0,-9.44246,-8.44,-2.32,-11.869910352465627
CCc1cccc2sc(N(Cc3ccccc3)C(=O)c3cccc(S(=O)(=O)C(C)C)c3)nc12,C09622499_decoy,ITAL,Decoy,0,-8.73158,-8.58,-2.97,-11.680402852079157
CC(=O)N(c1ccccc1)c1nc(COC(=O)c2ccc(I)cc2)cs1,C10751532_decoy,ITAL,Decoy,0,-8.12988,-5.5,-2.33,-7.694147172879172
O=C(CSc1nncn1CCc1cccs1)N1c2ccccc2SC[C@@H]1c1ccccc1,C11107108_decoy,ITAL,Decoy,0,-8.52859,-8.57,-2.51,-10.472387416735248
COc1ccc(-c2nnc(SCc3ccc(F)cc3Br)n2C[C@@H]2CCCO2)cc1,C11684395_decoy,ITAL,Decoy,0,-9.34032,-7.26,-3.43,-7.547442729481859
Cc1c(C(=O)N(Cc2ccc(N(C)C)cc2)C[C@@H]2CCCO2)oc2cc(Br)ccc12,C12062944_decoy,ITAL,Decoy,0,-8.74852,-7.95,-2.1,-10.372834792707987
C[C@H](Sc1nnc(-c2cccs2)n1C[C@@H]1CCCO1)C(=O)c1ccc(Br)cc1,C12788629_decoy,ITAL,Decoy,0,-9.60121,-7.97,-3.43,-10.581011915731432
CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C(C)C)cc1)cn2Cc1cccc(F)c1,C02693906_decoy,ITAL,Decoy,0,-10.1041,-5.37,-1.77,-6.378432369284245
O=C(OC1=CN(Cc2ccccc2)S(=O)(=O)c2ccccc21)c1ccc(Br)cc1,C15669468_decoy,ITAL,Decoy,0,-8.55815,-10.28,-2.08,-9.087401437568293
COc1ccc(C(=O)N(CC(=O)N2CCc3sccc3[C@@H]2c2ccc(C)cc2)C(C)(C)C)cc1,C16500792_decoy,ITAL,Decoy,0,-6.35913,-9.46,-3.54,-7.465612602936362
CC(C)(CCl)C(=O)N(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C1CC1,C16569486_decoy,ITAL,Decoy,0,-8.64153,-8.99,-2.05,-10.25445470577947
C=CCn1c(SCc2cc(F)cc3c2OCOC3)nc2scc(-c3cccs3)c2c1=O,C16663509_decoy,ITAL,Decoy,0,-9.71091,-6.35,-1.96,-7.394699222748687
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c1,C02671916_decoy,ITAL,Decoy,0,-7.19929,-6.11,-1.82,-6.312337390260278
CC(=O)N(c1nc(/C=C(\C#N)c2nc(-c3ccc(C)cc3)cs2)cs1)c1ccc(F)cc1F,C17474940_decoy,ITAL,Decoy,0,-8.152,-7.65,-3.52,-6.622747281557048
Cc1ccc(CN(C)C(=O)CSc2nc3scc(-c4cccs4)c3c(=O)n2C)c(C)c1,C20064989_decoy,ITAL,Decoy,0,-9.04013,-8.56,-1.83,-7.455916948199422
COc1ccc(-c2sc(=S)n3c4ccccc4c(=O)n(Cc4ccccc4F)c23)cc1OC,C20378490_decoy,ITAL,Decoy,0,-10.6298,-7.82,-2.08,-13.28624579893344
Cc1c(C(=O)N2CCC(Cc3ccccc3)CC2)sc2ncn(Cc3ccccc3F)c(=O)c12,C02911049_decoy,ITAL,Decoy,0,-8.64517,-7.81,-2.71,-6.540585723496418
O=C(OCc1nnc(-c2ccc(Cl)cc2)o1)c1cc(Br)c(Br)s1,C20991525_decoy,ITAL,Decoy,0,-9.05173,-7.43,-1.93,-7.188007967984247
O=C1CSCN1CC(=O)N(c1nc2ccccc2s1)c1cc(C(F)(F)F)ccc1Cl,C24018736_decoy,ITAL,Decoy,0,-8.30296,-5.17,-1.48,-5.718295764236623
CCCn1c(SCC(=O)N2CCC[C@@H]3CCCC[C@@H]32)nc2ccc(Br)cc2c1=O,C24144272_decoy,ITAL,Decoy,0,-9.53983,-8.0,-2.55,-9.734100352661006
C=CCSc1nc2ccccc2n1C(=O)CCN1C(=O)/C(=C\c2ccc(C)cc2)SC1=S,C26687434_decoy,ITAL,Decoy,0,-6.67679,-8.01,-2.29,-6.792250277536947
CCn1c(SCC(=O)N2c3ccccc3SC[C@H]2c2ccccc2)nc2ccsc2c1=O,C27832062_decoy,ITAL,Decoy,0,-10.7115,-8.95,-3.72,-11.543567300959108
CCOc1ccc(C(=O)C2=CN(c3ccc(C)c(Cl)c3)c3cc(F)ccc3S2(=O)=O)cc1,C32984465_decoy,ITAL,Decoy,0,-7.81232,-8.4,-1.14,-7.763431475707835
CCN(CC)C(=O)c1ccc2c(=O)n(-c3ccc(F)cc3)c(SCc3ccccc3F)nc2c1,C33077905_decoy,ITAL,Decoy,0,-8.54205,-8.44,-3.24,-11.491288456910912
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(C(C)C)C2=O)ccc1OC(C)C,C33430488_decoy,ITAL,Decoy,0,-8.05871,-6.05,-3.53,-5.725158508631216
CC[C@H](c1nc2ccccc2c(=O)n1C)N(Cc1ccccc1)C(=O)c1cccc(C(F)(F)F)c1,C35008461_decoy,ITAL,Decoy,0,-7.30924,-9.16,-1.71,-8.040169841530135
C[C@@H](c1ccccc1)N(C(=O)c1ccc(Cl)c(Cl)c1)[C@@H](C)c1nc2ccccc2c(=O)n1C,C35034463_decoy,ITAL,Decoy,0,-9.00608,-5.32,-0.85,-6.305697747665967
CCC(=O)N(CCN1CCN(C(=O)c2cccc3ccccc23)CC1)CC1=CC[C@@H]2C[C@H]1C2(C)C,C35100172_decoy,ITAL,Decoy,0,-8.68716,-9.14,-2.91,-11.864881492031458
Cc1ccc([C@H]2c3cccn3-c3ccccc3N2C(=O)CN(C(=O)C(C)(C)CCl)C2CC2)cc1,C35230368_decoy,ITAL,Decoy,0,-8.02816,-4.94,-3.08,-5.682231865757381
CCCN(CC(=O)N1CCn2cccc2[C@@H]1c1ccccc1)C(=O)c1ccc(-c2ccccc2)cc1,C35458278_decoy,ITAL,Decoy,0,-7.58594,-8.69,-2.86,-7.541117779827799
CC(C)N(CC(=O)N1CCn2cccc2[C@@H]1c1cccc(F)c1)C(=O)c1ccc(C(C)(C)C)cc1,C35471225_decoy,ITAL,Decoy,0,-7.49178,-8.97,-2.67,-8.204413622900292
Cc1ccccc1C(=O)N(CCc1csc2nc(-c3ccc(Cl)cc3)cn12)C[C@H]1CCCO1,C35493799_decoy,ITAL,Decoy,0,-9.7101,-5.43,-2.26,-5.8794707559718
CC[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CC)C(=O)[C@H](Cl)c1ccccc1,C35689016_decoy,ITAL,Decoy,0,-7.96,-7.63,-2.29,-7.96308270648727
CC[C@H](c1nc2ccccc2c(=O)n1-c1ccc(F)cc1)N(CC)C(=O)[C@@H](Cl)c1ccccc1,C35689020_decoy,ITAL,Decoy,0,-7.00179,-8.39,-1.37,-8.064293052887336
Cc1nn(-c2ccccc2)c(Oc2ccc(F)cc2F)c1CN(C(=O)c1ccc(F)cc1)C(C)C,C35976241_decoy,ITAL,Decoy,0,-8.7741,-8.86,-3.29,-8.309271461814301
Cc1cc(C)n(CCN(C(=O)CSc2ccccc2)c2nc3c(C)c(Cl)ccc3s2)n1,C38902065_decoy,ITAL,Decoy,0,-9.851,-8.45,-4.02,-9.320778551254378
CSc1ccc(CC(=O)N(CCn2nc(C)cc2C)c2nc3c(F)cc(F)cc3s2)cc1,C38902499_decoy,ITAL,Decoy,0,-10.6343,-7.19,-4.04,-9.141945012997592
CCC(C)(C)c1ccc(OC(=O)CN2C(=O)[C@H]3C4c5ccccc5C(c5ccccc54)[C@@H]3C2=O)cc1,C09371823_decoy,ITAL,Decoy,0,-7.25607,-6.6,-4.39,-5.496290462083764
CCON1CCC(CN2C(=O)N(I)C[C@]2(C)CC)(C2CCCCC2)CC1,C39487272_decoy,ITAL,Decoy,0,-10.0064,-7.63,-2.03,-10.363063445056106
COc1ccc(CN2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2ccc(C(C)(C)C)cc2)cc1,C39825533_decoy,ITAL,Decoy,0,-7.80885,-5.04,-2.74,-5.579574818845028
CCCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2Cc2ccccc2Cl)c1,C39825679_decoy,ITAL,Decoy,0,-8.74929,-8.95,-1.31,-9.65234093943893
CCOc1ccc(-n2c(SCC)nc3sc4c(c3c2=O)CCN(Cc2ccccc2)C4)cc1,C39869429_decoy,ITAL,Decoy,0,-9.65182,-4.47,-2.28,-6.506668862030622
CC(C)(C)c1ccc2occ(CC(=O)N(Cc3ccc(Cl)cc3)[C@@H]3CCS(=O)(=O)C3)c2c1,C39883591_decoy,ITAL,Decoy,0,-9.22887,-7.24,-2.92,-7.659826136417892
CC(C)CCN(C(=O)c1cccc(F)c1)[C@@H](C)c1nc2ccccc2c(=O)n1-c1ccc(F)cc1,C35065676_decoy,ITAL,Decoy,0,-8.3853,-4.99,-3.82,-6.338140277839513
O=C1C[C@@H](c2nc3ccccc3n2CCCOc2ccccc2Cl)CN1c1ccccc1Cl,C38595633_decoy,ITAL,Decoy,0,-9.14696,-9.16,-3.19,-9.009803599220694
Cc1ccc(C(=O)COC(=O)c2cc(-c3ccccn3)nc3c(Br)cc(C)cc23)cc1,C44787383_decoy,ITAL,Decoy,0,-7.92709,-7.86,-1.97,-7.419106540617256
C=CCN(CC=C)C(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Br,C59460420_decoy,ITAL,Decoy,0,-7.45143,-6.71,-1.53,-12.198745683936554
COc1cc(/C=C2\Sc3ccccc3C2=O)c(Br)cc1OCc1ccccc1Cl,C02237921_decoy,ITAL,Decoy,0,-8.85974,-8.16,-4.05,-7.727107449064973
O=C(c1ccc(Br)cc1)[C@@H](Br)[C@@H](c1ccccc1)[C@H](c1ccccc1)[N+](=O)[O-],C04409368_decoy,ITAL,Decoy,0,-8.52345,-8.59,-2.44,-8.290914605065195
Cc1ccc(/C=C2\SC(=S)N(CCC(=O)N3c4ccccc4Sc4ccccc43)C2=O)cc1,C01786646_decoy,ITAL,Decoy,0,-7.17914,-9.87,-2.25,-9.333875704646928
N#C/C(=C\c1ccccc1OC(F)F)S(=O)(=O)c1cc(Br)ccc1Br,C03321154_decoy,ITAL,Decoy,0,-8.60471,-4.82,-2.64,-5.60115231014209
C=C(C)Cn1c(SCC(=O)c2cc(Cl)sc2Cl)nc2sc3c(c2c1=O)CCCC3,C02898766_decoy,ITAL,Decoy,0,-10.2847,-7.51,-3.85,-9.463910898796874
CCN1C(=O)/C(=C/c2cc(Br)ccc2OCCOc2c(C)cccc2C)SC1=S,C02844169_decoy,ITAL,Decoy,0,-8.11833,-8.28,-3.08,-8.626023851685842
CCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@H]1c1cc(Br)ccc1F,C08439785_decoy,ITAL,Decoy,0,-9.54719,-4.8,-1.94,-5.782335457411155
O=C(c1ccc(Cl)cc1)c1oc2ccccc2c1C[S@+]([O-])c1ccc(Br)cc1,C08857023_decoy,ITAL,Decoy,0,-9.70694,-8.06,-4.14,-10.093102186978092
Cn1nc(C(F)(F)F)c(CO/N=C/c2ccc(Cl)cc2)c1Sc1ccc(Br)cc1,C08857141_decoy,ITAL,Decoy,0,-10.0226,-9.04,-2.02,-9.87070002165478
CCSCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@@H]1c1ccc(F)cc1,C08934905_decoy,ITAL,Decoy,0,-9.53717,-6.78,-1.47,-7.994827142030577
CCOC(=O)C1=C(c2ccccc2)S/C(=C2/C(=S)C(C)(C)N(C(C)=O)c3ccccc32)S1,C02372205_decoy,ITAL,Decoy,0,-7.5075,-8.11,-2.59,-8.332542831060268
O=C1/C(=C\c2cccc(OCc3c(F)cccc3Cl)c2)SC(=S)N1c1ccc(F)c(Cl)c1,C03769025_decoy,ITAL,Decoy,0,-8.87828,-9.76,-3.29,-9.90111364743906
O=C1/C(=C/c2ccc(OCc3ccc(Cl)cc3Cl)cc2)SC(=S)N1Cc1ccc(F)cc1,C09295768_decoy,ITAL,Decoy,0,-9.09963,-8.32,-1.52,-10.725461666835338
O=C1/C(=C\c2ccc(-c3ccc(F)c(Cl)c3)o2)SC(=S)N1c1ccccc1C(F)(F)F,C09296714_decoy,ITAL,Decoy,0,-7.97018,-8.36,,99.0
O=C1/C(=C\c2cn(Cc3ccccc3F)c3ccccc23)SC(=S)N1c1ccc(Cl)cc1,C09310267_decoy,ITAL,Decoy,0,-8.61017,-9.22,-2.2,-7.908613169827853
CN(C)c1ccc(/C=C/c2nc3ccc(I)cc3c(=O)n2-c2ccccc2)cc1,C09460948_decoy,ITAL,Decoy,0,-8.59951,-7.81,-1.4,-8.671319249456205
Cc1cc(C)c2sc(N(Cc3ccccn3)C(=O)c3ccccc3I)nc2c1,C09402440_decoy,ITAL,Decoy,0,-8.91963,-8.67,-2.19,-8.278153325510543
CSCCn1/c(=N/C(=O)c2ccccc2I)sc2cc(F)ccc21,C09563481_decoy,ITAL,Decoy,0,-9.50717,-4.23,-0.91,-5.154094272169187
Cc1ccc(CN2C(=O)c3ccccc3[C@H]2c2c(-c3ccc(Br)cc3)n(C)c3ccccc23)o1,C09668904_decoy,ITAL,Decoy,0,-8.88117,-5.37,-3.21,-5.727885938052939
O=C(Cc1ccc(Cl)s1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1,C10061425_decoy,ITAL,Decoy,0,-9.36911,-8.06,-3.65,-9.349449111446548
CSc1ccc(CC(=O)N(CCc2cccs2)c2nc3ccc(SC)cc3s2)cc1,C10097920_decoy,ITAL,Decoy,0,-10.3623,-7.55,-2.9,-9.43686259792361
CSc1ccc2nc(N(Cc3cccnc3)C(=O)c3ccc(Br)s3)sc2c1,C10528840_decoy,ITAL,Decoy,0,-9.81295,-3.79,-3.87,-5.498189403253549
O=C(c1ccccc1I)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1,C10871228_decoy,ITAL,Decoy,0,-9.95624,-8.5,-2.22,-10.857099490255775
O=C(c1ccccc1I)N(C[C@H]1CCCO1)c1nc2ccc(F)cc2s1,C11074306_decoy,ITAL,Decoy,0,-8.44622,-7.28,-2.13,-7.333273103252383
O=C(c1cccc(Br)c1)N(C[C@@H]1CCCO1)c1nc2ccc(Br)cc2s1,C11075326_decoy,ITAL,Decoy,0,-9.45472,-7.94,-1.92,-9.339639157884596
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2sccc2[C@@H]1c1ccc(OC(F)(F)F)cc1,C12368943_decoy,ITAL,Decoy,0,-8.82933,-8.62,-3.54,-7.899072838806868
CC1(C)CC(=O)C2=C(C1)N(c1cccc(C(F)(F)F)c1)C(n1cccc1)=C(C#N)[C@H]2c1cccs1,C01431799_decoy,ITAL,Decoy,0,-6.96466,-4.88,-3.75,-4.658190670054448
CN(C)c1ccc(/C=C2\SC(=S)N(c3cccc(C(F)(F)F)c3)C2=O)cc1Br,C12414052_decoy,ITAL,Decoy,0,-7.82428,-5.32,-2.23,-5.207924033307268
Cc1c(C(=O)C(F)(F)F)cc(-c2ccc(S(C)(=O)=O)cc2)n1-c1cc(Cl)cc(Cl)c1,C08857311_decoy,ITAL,Decoy,0,-9.41764,-5.98,-3.0,-8.175758311642493
O=S(=O)(c1cccc(C(F)(F)F)c1)N1CCc2sccc2[C@H]1c1ccc(OC(F)(F)F)cc1,C13469017_decoy,ITAL,Decoy,0,-9.10357,-9.9,-3.4,-10.185767740561705
CCOc1cc(/C=C2/SC(=S)N(CC)C2=O)cc(Br)c1OCc1ccccc1C,C13942902_decoy,ITAL,Decoy,0,-8.54652,-5.47,-2.34,-6.458821001100407
C=CCn1c(C)cc(C(=O)CSc2ncc(-c3ccc(Cl)cc3)n2-c2ccccc2C)c1C,C15980206_decoy,ITAL,Decoy,0,-9.72157,-7.82,-2.09,-10.505787789967568
CSc1ccc([C@@H]2[C@@H](C(=O)C34CC5CC(CC(C5)C3)C4)N3c4ccccc4C=C[C@H]3C2(C#N)C#N)cc1,C16034432_decoy,ITAL,Decoy,0,-7.67598,-6.39,-3.61,-5.7087140841783794
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccc(F)cc1)C(=O)c1ccc(Cl)cc1,C16505781_decoy,ITAL,Decoy,0,-8.52234,-4.68,-1.47,-5.777198729154264
CCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C)C(=O)c1ccc(-c2ccccc2)cc1,C16529404_decoy,ITAL,Decoy,0,-6.4532,-5.66,-1.87,-5.1423479046738025
CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1C)C(=O)c1ccc(-c2ccccc2)cc1,C16529405_decoy,ITAL,Decoy,0,-8.57251,-5.89,-3.25,-6.126729795474799
CC(=O)C1=C(C)N=C(SCC(=O)c2cccc(Br)c2)C(C#N)[C@H]1c1sccc1C,C16676308_decoy,ITAL,Decoy,0,-8.87304,-6.16,-3.41,-6.852697049479262
CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)C(C#N)[C@@H]1c1sccc1C,C16676309_decoy,ITAL,Decoy,0,-8.70514,-7.54,-2.3,-8.101246824866275
CC(=O)C1=C(C)N=C(SCC(=O)c2ccc(Br)cc2)C(C#N)[C@H]1c1sccc1C,C16676310_decoy,ITAL,Decoy,0,-8.81706,-6.72,-1.75,-7.841456908841821
Cc1cc(C)c2nc(N(Cc3ccco3)C(=O)CCCSc3ccc(Cl)cc3)sc2c1,C22898948_decoy,ITAL,Decoy,0,-8.79014,-9.01,-3.11,-12.008054839766864
O=c1c2cc(Br)ccc2nc(-c2ccc(F)cc2C(F)(F)F)n1Cc1ccccc1,C23453534_decoy,ITAL,Decoy,0,-7.74028,-7.96,-2.0,-7.24348316051695
COc1ccc(Br)cc1CN(C)C(=O)C12C[C@@H]3C[C@@H](CC(Br)(C3)C1)C2,C24625319_decoy,ITAL,Decoy,0,-8.03548,-7.33,-3.09,-8.341290811293385
O=C(/C=C/c1ccccc1)Oc1ccc(/C=C2\SC(=S)N(CCc3ccccc3)C2=O)cc1,C26965542_decoy,ITAL,Decoy,0,-7.54488,-8.15,-2.34,-6.3069039409146495
O=C1S/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C(=S)N1Cc1ccc(Cl)cc1,C33568073_decoy,ITAL,Decoy,0,-10.0671,-8.88,-2.06,-7.942037781342143
CCCCN(CC(=O)N1CCc2sccc2[C@@H]1c1ccccc1C)C(=O)c1ccc(CC)cc1,C33591549_decoy,ITAL,Decoy,0,-8.71629,-8.26,-2.65,-8.220575045285218
CCCOC(=O)[C@@H]1CS[C@H](c2ccc(C(F)(F)F)cc2)N1C(=O)c1ccc(Br)cc1,C35122824_decoy,ITAL,Decoy,0,-8.33213,-7.62,-1.95,-11.914585366232352
O=S(=O)(Oc1ccccc1)N1[C@H](Cc2ccccc2)CCC[C@]12CCC[C@H](Br)C2,C39526990_decoy,ITAL,Decoy,0,-8.7193,-9.94,-3.38,-9.799144575892512
C=CCOc1c(Br)cc(/C=C2\C(=O)N(c3ccccc3)N=C2C)cc1Br,C09260748_decoy,ITAL,Decoy,0,-7.94386,-5.14,-1.79,-5.540696150476087
C=C(C)COc1c(Br)cc(/C=C2/N=C(c3ccccc3)OC2=O)cc1Br,C59227041_decoy,ITAL,Decoy,0,-7.46135,-7.71,,99.0
Cc1cc(OCc2c(F)c(F)c(F)c(F)c2F)cc2c1C(=O)/C(=C/c1cn(C)c3ccccc13)O2,C41436125_decoy,ITAL,Decoy,0,-8.87597,-9.3,-1.47,-7.069575166984676
CCN(CC)c1ccc(N2C(=O)/C(=C/c3ccc(C(=O)[O-])cc3)SC2=S)cc1,C01236392_decoy,ITAL,Decoy,0,-7.13663,-5.92,-3.92,-5.482525896055326
O=C1c2cccc3cccc(c23)C(=O)N1CCCc1nnc([S-])n1-c1ccccc1,C04059167_decoy,ITAL,Decoy,0,-7.37071,-8.7,-1.72,-7.463134121383707
O=C(COc1ccc(Br)cc1Br)NNC(=O)[C@@H]1CCCC[C@H]1C(=O)[O-],C00670412_decoy,ITAL,Decoy,0,-7.86471,-7.45,-3.12,-8.389154914368765
Cc1nn(-c2ccc(F)cc2)c2nc(-c3ccc(OC(F)F)cc3)cc(C(=O)[O-])c12,C12396193_decoy,ITAL,Decoy,0,-6.39077,-6.21,-2.1,-4.916108064592814
Cc1cc(/C=C2\SC(=S)N(c3ccc(C(=O)[O-])cc3)C2=O)c(C)n1CC(C)C,C13348528_decoy,ITAL,Decoy,0,-8.39295,-7.24,-4.47,-7.104842482372825
O=C([O-])CCN1C(=O)/C(=C\c2cc(Br)ccc2OC(F)F)SC1=S,C13351875_decoy,ITAL,Decoy,0,-7.14404,-7.26,-1.3,-8.49565710081846
Cc1cc(C(=O)CSc2nc(CC(=O)[O-])cs2)c(C)n1CCc1ccccc1,C13415464_decoy,ITAL,Decoy,0,-6.80097,-6.92,-1.76,-8.342984196783291
CCc1nc2c(C)cc(C)nc2n1Cc1ccc(/C(=C\C(=O)[O-])c2ccccc2)cc1,C13756101_decoy,ITAL,Decoy,0,-7.75877,-5.68,-3.78,-5.877189761118256
Cc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@H]2c2ccc(C(C)C)cc2)cc1,C05446077_decoy,ITAL,Decoy,0,-8.63944,-8.7,-2.32,-12.422234243627196
CCOc1ccc(N2C(=O)/C(=C/c3cn(CC)c4ccccc34)C([O-])=NC2=S)cc1,C09089793_decoy,ITAL,Decoy,0,-8.2238,-8.38,-2.47,-8.638439877639412
C[C@@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccs2)cc1,C16122263_decoy,ITAL,Decoy,0,-7.25984,-6.32,-3.17,-6.253190634969088
CCOc1cc(/C=C2/SC(=S)N=C2[O-])ccc1OC[C@@H](C)COc1ccccc1,C22241893_decoy,ITAL,Decoy,0,-7.27643,-7.76,-2.08,-7.903401213453345
Cc1ccc(C)c(S(=O)(=O)/N=C2/C=C(SCC(=O)[O-])C(=O)c3ccccc32)c1,C20060196_decoy,ITAL,Decoy,0,-6.49405,-5.06,-3.22,-4.836993813807633
CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3ccc(Cl)s3)cc2s1,C33298905_decoy,ITAL,Decoy,0,-8.69428,-6.29,-1.7,-7.929270850278958
CCS(=O)(=O)c1nc2ccc([N-]S(=O)(=O)c3cc(F)ccc3F)cc2s1,C33298919_decoy,ITAL,Decoy,0,-7.40783,-4.81,-2.25,-5.174777967051921
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2/C=C/c2ccccc2)s1,C35566024_decoy,ITAL,Decoy,0,-9.36926,-8.85,-2.02,-9.920918511624487
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCc3ccccc3)[C@H]2c2sccc2C)s1,C35568083_decoy,ITAL,Decoy,0,-7.52378,-8.29,-2.38,-11.39301136669956
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)c(C)c2)[C@@H]1c1cccc(Cl)c1,C02705516_decoy,ITAL,Decoy,0,-7.80679,-8.41,-1.99,-8.618990805011864
CCN(CC)c1ccc(/C=C2/C(=O)N=C([O-])N(c3ccc(C)c(Cl)c3)C2=O)cc1,C36496220_decoy,ITAL,Decoy,0,-6.17282,-4.77,-2.85,-5.034537456200063
O=C([O-])c1ccc(-n2cccc2/C=C2\SC(=O)N(Cc3ccc(F)cc3)C2=O)cc1,C16429983_decoy,ITAL,Decoy,0,-7.81715,-8.64,-2.57,-7.074591201924197
O=S(=O)([N-]/N=C/[C@H]1C=NN=C1c1ccc(F)cc1)c1cc(Cl)ccc1Cl,C39420272_decoy,ITAL,Decoy,0,-7.41548,-7.91,-1.6,-6.912202008204546
CCc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@@H]2c2cccs2)s1,C39849346_decoy,ITAL,Decoy,0,-9.00202,-8.61,-2.4,-8.10392207263902
CCc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(-c3ccc(Cl)c(Cl)c3)o2)s1,C39998120_decoy,ITAL,Decoy,0,-8.49648,-6.59,-2.23,-8.229147142544603
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)cc2)[C@H]1c1ccccc1Cl,C40026536_decoy,ITAL,Decoy,0,-7.59191,-8.74,-1.77,-12.142333279430703
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2)[C@@H]1c1sccc1C,C40026879_decoy,ITAL,Decoy,0,-7.01869,-6.03,-3.53,-7.312683075595408
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC=C)[C@H]2c2ccc(CC)cc2)cc1C,C40027437_decoy,ITAL,Decoy,0,-7.64259,-8.63,-1.85,-10.620584653444444
C=CCN1C(=O)C([O-])=C(C(=O)c2sc(C)nc2C)[C@@H]1c1ccccc1Br,C40028685_decoy,ITAL,Decoy,0,-7.53629,-6.83,-1.93,-7.073196187938416
C=CCN1C(=O)C([O-])=C(C(=O)c2cccc(OCCCC)c2)[C@@H]1c1cccc(Cl)c1,C40029693_decoy,ITAL,Decoy,0,-7.88823,-8.0,-1.68,-12.046602088516549
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccc(F)cc2)c(C)c1,C40083352_decoy,ITAL,Decoy,0,-7.49783,-7.15,-3.01,-11.301443012598035
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccccc2F)cc1C,C40092403_decoy,ITAL,Decoy,0,-6.65399,-8.67,-2.52,-7.708832696811048
C=CCOc1ccc([C@H]2C(C(=O)c3ccc(C)c(F)c3)=C([O-])C(=O)N2CCCC)cc1,C40100097_decoy,ITAL,Decoy,0,-8.56063,-8.88,,99.0
CSCC[C@H](C(=O)[O-])N1C(=O)/C(=C/c2ccc(-c3ccc(F)cc3)o2)SC1=S,C40567403_decoy,ITAL,Decoy,0,-7.9851,-7.11,-2.03,-7.216333803978271
Cc1ccccc1COc1ccccc1/C=C1/SC(=S)N(CCC(=O)[O-])C1=O,C40937820_decoy,ITAL,Decoy,0,-7.82247,-8.49,-1.99,-9.868751121066357
CCc1ccc(N2C(=O)N=C([O-])/C(=C\c3cccn3Cc3ccc(F)cc3)C2=O)cc1,C02263179_decoy,ITAL,Decoy,0,-7.73661,-8.97,,99.0
COC(=O)c1ccccc1S(=O)(=O)[N-]c1ccc(I)cc1,C57432382_decoy,ITAL,Decoy,0,-7.94618,-5.18,-1.35,-5.601845337265096
COC(=O)c1cccc(S(=O)(=O)[N-]c2ccc(I)cc2)c1,C24256978_decoy,ITAL,Decoy,0,-8.69923,-7.89,-1.77,-8.440351277549984
C=CCc1cc(/C=N/c2ccc(Br)c(C)c2)cc(OC)c1OCC(=O)[O-],C59249251_decoy,ITAL,Decoy,0,-7.15858,-6.09,-2.12,-5.111249797310351
CS(=O)(=O)c1ccc2nc([N-]S(=O)(=O)Cc3ccccc3Cl)sc2c1,C59291775_decoy,ITAL,Decoy,0,-8.26683,-8.45,-2.63,-9.508760985214977
O=S(=O)(Cc1ccc(Cl)cc1)[N-]c1nnc(CSCc2ccccc2)s1,C59345456_decoy,ITAL,Decoy,0,-8.43637,-4.59,-3.35,-5.323797689607016
Cc1cc([N-]S(=O)(=O)c2ccc(/N=C/c3ccc(Br)cc3)cc2)no1,C59466307_decoy,ITAL,Decoy,0,-6.57732,-5.07,-2.53,-3.891187112451254
CCOc1cccc(N2C(=O)/C(=C\c3cccn3-c3ccccc3)C([O-])=NC2=S)c1,C59679010_decoy,ITAL,Decoy,0,-7.33918,-8.59,-2.43,-7.700793248707748
Cc1cccc(N2C(=O)N=C([O-])/C(=C/c3ccc(N(C)CCCl)cc3)C2=O)c1C,C59859692_decoy,ITAL,Decoy,0,-7.41427,-9.33,-1.59,-10.30814960194605
CCc1ccc(N2C(=O)/C(=C/c3cccn3Cc3ccc(C)cc3)C(=O)N=C2[O-])cc1,C02260400_decoy,ITAL,Decoy,0,-7.39548,-7.69,,99.0
Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4ccccc4)no3)sc2C)c1,C64450494_decoy,ITAL,Decoy,0,-9.40892,-8.92,-2.41,-8.046263284332456
Cc1csc(-c2cc(S(=O)(=O)[N-]c3cccc(C(F)(F)F)c3)c(C)n2C)n1,C64668183_decoy,ITAL,Decoy,0,-7.63682,-7.76,-2.15,-6.9398656691615646
COC(=O)c1scc(-c2ccc(C)cc2)c1S(=O)(=O)[N-]c1ccc(F)c(F)c1,C45992773_decoy,ITAL,Decoy,0,-9.274,-4.77,-1.55,-6.033877123945963
O=S(=O)([N-]c1ccc(Cl)cc1F)c1ccc(-c2nnc(C3CCC3)o2)s1,C64920601_decoy,ITAL,Decoy,0,-8.4508,-8.92,-1.77,-9.492187957355874
O=S(=O)([N-]c1ccc(F)cc1Cl)c1ccc(-c2cnc(C3CCC3)o2)s1,C65004498_decoy,ITAL,Decoy,0,-8.06935,-8.48,-1.11,-9.27981630119224
COc1ccc(Cl)cc1[N-]S(=O)(=O)c1cc(-c2nc(C)cs2)n(C)c1C,C65009039_decoy,ITAL,Decoy,0,-8.66168,-7.68,-1.96,-9.507061011339903
Cc1cccc([N-]S(=O)(=O)c2cc(-c3nc(-c4cccc(F)c4)no3)cs2)c1,C65098133_decoy,ITAL,Decoy,0,-8.80438,-6.55,-2.03,-6.260487806543799
N#C/C(=C\c1ccc(OCc2ccc(F)cc2)c(Br)c1)c1ccc(C(=O)[O-])cc1,C02888628_decoy,ITAL,Decoy,0,-8.43911,-8.74,-2.92,-9.17055850350259
CC(C)CN1C(=O)/C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)S/C1=N\c1ccccc1,C09210194_decoy,ITAL,Decoy,0,-7.94445,-9.16,-4.01,-6.98692608987689
Cc1ccc(-c2nc(-c3cc4cc(Br)ccc4oc3=O)sc2CC(=O)[O-])cc1,C09553703_decoy,ITAL,Decoy,0,-8.60951,-5.72,-2.26,-5.6730654018110585
O=C([O-])CC/C(=C\c1cn(-c2ccccc2)nc1-c1ccccc1)c1nc2ccccc2s1,C12620014_decoy,ITAL,Decoy,0,-8.66391,-5.84,-3.18,-6.536599897109928
CN(C)S(=O)(=O)c1ccc(Oc2ccc3cc(Br)ccc3c2)c(C(=O)[O-])c1,C13211066_decoy,ITAL,Decoy,0,-8.22929,-7.16,-1.8,-8.988465641953443
Cc1cc(/C=C2/CCCCn3c2nc2sc(C(=O)[O-])c(C)c2c3=O)cc(C)c1OC(F)F,C13215316_decoy,ITAL,Decoy,0,-5.59686,-4.94,-3.39,-3.2115752385300262
Cc1c(C)c(C)c(S(=O)(=O)Oc2ccc(-c3nc(CC(=O)[O-])cs3)cc2)c(C)c1C,C13463813_decoy,ITAL,Decoy,0,-7.66079,-8.92,-2.34,-7.139014436497621
O=[N+]([O-])c1cc(Cc2ccccc2Cl)cc(/C=N/c2ccccc2N2CCCCC2)c1[O-],C16450174_decoy,ITAL,Decoy,0,-9.1957,-9.27,-2.17,-12.3190665787091
COc1ccc(/N=C/c2c([O-])c(OC)cc(Br)c2Br)cc1Cl,C03113616_decoy,ITAL,Decoy,0,-7.90768,-5.96,-1.84,-7.616498337191221
CCN1/C(=C/C(=O)c2ccccc2[N-]S(=O)(=O)c2cccs2)C(C)(C)c2c1ccc1ccccc21,C18156827_decoy,ITAL,Decoy,0,-10.1264,-8.0,-1.87,-8.233526645818294
Cc1cc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N=C2[O-])ccc1OCC(C)C,C22309772_decoy,ITAL,Decoy,0,-7.1998,-7.03,-2.97,-6.661518837713949
CC(C)(C)[C@@H]1CCc2c(sc3nc([O-])n4nc(COc5ccc6ccccc6c5)nc4c23)C1,C27516907_decoy,ITAL,Decoy,0,-8.24817,-5.68,-1.6,-5.326139188420256
CN(C(=O)c1ccc(S(=O)(=O)[N-]c2ccccc2F)cc1)C(c1ccccc1)c1ccccc1,C29234619_decoy,ITAL,Decoy,0,-7.73029,-8.05,-2.88,-7.725279404387986
C[C@@H]1C/C(=C\c2cn(-c3ccccc3)nc2-c2cc3ccccc3o2)c2nc3ccccc3c(C(=O)[O-])c2C1,C32642113_decoy,ITAL,Decoy,0,-8.0644,-7.28,-2.4,-6.504209610261703
CN1C(=O)Cc2cc(S(=O)(=O)[N-]c3ccc(-c4nc5ccccc5s4)c(Cl)c3)ccc21,C33124034_decoy,ITAL,Decoy,0,-8.2273,-6.29,-2.96,-6.119605757332634
O=S(=O)([N-]c1ccc(-c2nc3ccc(Cl)cc3s2)c(Cl)c1)c1ccc(Cl)cc1,C33169090_decoy,ITAL,Decoy,0,-9.97628,-8.87,-2.33,-8.32247627674371
[O-]c1c(Br)cc(Cc2ccccc2Cl)cc1/C=N\c1ccc(Cc2ccncc2)cc1,C27500949_decoy,ITAL,Decoy,0,-8.87806,-8.37,-2.38,-7.690782794638942
Cc1nn(-c2ccccc2)c(C)c1/C=N/n1c([S-])nnc1-c1ccc(Cl)cc1Cl,C02706603_decoy,ITAL,Decoy,0,-8.58091,-5.6,-1.52,-5.412744235039836
CC[C@@H](C)Oc1c(Cl)cc(/C=C2\SC([N-]c3ccc(Cl)c(Cl)c3)=NC2=O)cc1OC,C09973252_decoy,ITAL,Decoy,0,-9.80755,-6.27,-2.84,-6.975881072509289
CCC1=NO[C@](C(=O)[O-])([C@@H](OCc2ccc(C(C)(C)C)cc2)c2ccc(Cl)c(Cl)c2)C1,C33529150_decoy,ITAL,Decoy,0,-8.73191,-9.28,-2.78,-11.469221089724822
O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@@H]1c1ccc(Br)cc1)c1ccccc1,C09380609_decoy,ITAL,Decoy,0,-10.3426,-9.47,-1.7,-11.063499720669428
O=C1N=C([N-]c2ccccc2Cl)S/C1=C/c1ccccc1OCc1ccccc1Cl,C08833800_decoy,ITAL,Decoy,0,-9.08564,-9.26,-2.24,-9.21606794413027
O=S(=O)([N-]c1cc(C(F)(F)F)ccc1Cl)c1cnc(Cl)c(Br)c1,C35551061_decoy,ITAL,Decoy,0,-8.25355,-7.88,-1.17,-9.093506077273313
O=C1CS[C@H](c2ccc([N-]S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2)N1c1ccc(F)cc1,C35559565_decoy,ITAL,Decoy,0,-7.8867,-9.66,-3.36,-9.73675597908915
O=C(C1=C([O-])C(=O)N(c2ccc(Br)cc2)[C@H]1c1ccc(F)cc1)c1ccccc1,C09379688_decoy,ITAL,Decoy,0,-7.76241,-7.99,-2.79,-7.467150161248943
Cc1cc(OCc2ccc(/C=N/n3c([S-])nnc3-c3cccs3)o2)cc(C)c1Cl,C36611462_decoy,ITAL,Decoy,0,-8.2005,-7.56,-2.12,-9.293590223459336
[S-]c1nnc(CSc2nnc(-c3ccccc3)n2-c2ccccc2)n1C1CCCCC1,C36729279_decoy,ITAL,Decoy,0,-8.28638,-10.21,-1.58,-10.2784029269714
Cc1ccc(COc2ccc(/C=C3\S/C(=N/c4ccc(C(=O)[O-])cc4)N(C)C3=O)cc2)cc1,C35656293_decoy,ITAL,Decoy,0,-8.16735,-5.0,-3.89,-4.69160722275367
CC[C@@H](C)n1c([O-])c(C(=O)c2oc3cc(Br)ccc3c2C)c(C)c(C#N)c1=O,C38617422_decoy,ITAL,Decoy,0,-8.22429,-8.43,-1.27,-15.596160049550178
Cc1cccc(/N=C2/N=C([O-])S/C2=C\c2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1,C35516129_decoy,ITAL,Decoy,0,-7.63541,-6.13,,99.0
O=C([O-])c1ccc(/C=C2\S/C(=N/c3nc(-c4ccccc4)cs3)N(C3CCCCC3)C2=O)cc1,C39866039_decoy,ITAL,Decoy,0,-8.04454,-8.86,-2.93,-7.066532113247858
COC(=O)c1ccccc1[N-]C1=NC(=O)/C(=C\c2ccc(-c3c(Cl)cccc3Cl)o2)S1,C39870216_decoy,ITAL,Decoy,0,-8.8108,-8.3,-3.4,-7.665388927454805
CCCCOc1ccc(/C=C(C#N)/C([O-])=N/c2nc(-c3ccc4c(c3)CCCC4)cs2)cc1,C41013305_decoy,ITAL,Decoy,0,-8.19554,-6.7,-2.58,-6.0460491986552976
N#CC(=C\c1ccc(OCc2ccc(Cl)c(Cl)c2)cc1)/C([O-])=N/c1nc2ccccc2s1,C41108904_decoy,ITAL,Decoy,0,-8.51876,-7.26,-1.84,-7.5226111452553726
CC(=O)O[C@H]1CC[C@@]2(C)C3=C(CC[C@H]2C1(C)C)[C@@]1(C)CC[C@@H]([C@@H](C)CCC(=O)[O-])[C@]1(C)CC3,C43959239_decoy,ITAL,Decoy,0,-7.68511,-5.06,-2.44,-5.634021892287643
Cc1ccc(Sc2ccc(/C=C3/C(=O)N(c4ccc(C)c(C)c4)C(=S)N=C3[O-])o2)cc1,C59137967_decoy,ITAL,Decoy,0,-8.1,-9.3,-2.68,-7.061837629916765
Cc1cc([C@H](C#N)c2ccc(Cl)cc2)c(Cl)cc1[N-]S(=O)(=O)c1cc(Cl)ccc1Cl,C59239753_decoy,ITAL,Decoy,0,-9.1945,-6.21,-2.54,-6.2687929256134565
Cc1ccc(Oc2ccc(C(F)(F)F)cc2/N=C/c2cc([N+](=O)[O-])ccc2[O-])c(Cl)c1,C59507015_decoy,ITAL,Decoy,0,-7.76833,-10.74,-3.23,-8.822508022533919
Cc1ccc(-n2c(C)cc(/C=C3/S/C(=N/c4cccc(C(=O)[O-])c4)N(C)C3=O)c2C)c(C)c1,C59599705_decoy,ITAL,Decoy,0,-8.46211,-9.16,-4.43,-7.164341332586968
Cc1cc(C)cc(-n2c(C)cc(/C=C3/S/C(=N/c4cccc(C(=O)[O-])c4)N(C)C3=O)c2C)c1,C59599759_decoy,ITAL,Decoy,0,-7.43945,-7.68,-2.16,-6.080368871111839
CCSC1=NC(=O)[C@@H]2C(=N1)N=C1CC(C)(C)CC([O-])=C1[C@H]2c1ccc(N(CC)CC)cc1,C39730048_decoy,ITAL,Decoy,0,-7.35041,-6.37,-2.17,-6.245380549592419
CC1(C)CC2=NC3=NC(SCc4ccccc4F)=NC(=O)[C@H]3[C@H](c3cccs3)C2=C([O-])C1,C39730431_decoy,ITAL,Decoy,0,-9.75298,-5.57,-1.75,-7.011167156890619
CN(C)c1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccccc4F)=NC(=O)[C@@H]32)cc1,C39731324_decoy,ITAL,Decoy,0,-10.2871,-5.6,-2.01,-6.276570358788213
Cc1ccc([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCCC(C)C)=NC(=O)[C@@H]32)s1,C39775862_decoy,ITAL,Decoy,0,-9.39183,-4.93,-2.8,-5.8224321050146814
Cc1ccc(SCc2cc([O-])nc(SCC(=O)N3c4ccccc4[C@@H](C)[C@H]3C)n2)cc1,C63395283_decoy,ITAL,Decoy,0,-9.17692,-9.48,-3.37,-8.36088158649964
CC1(C)CC2=NC3=C(C(=O)c4ccccc43)[C@H](c3cccc(OC(=O)c4ccccc4F)c3)C2=C([O-])C1,C18113452_decoy,ITAL,Decoy,0,-9.19783,-7.43,-1.84,-7.113499546375389
N#CC1=C(SCc2ccccc2Cl)N=C2CCCC([O-])=C2[C@H]1c1cccc(Cl)c1Cl,C13174797_decoy,ITAL,Decoy,0,-8.89707,-6.76,-2.82,-6.959415893971356
CC1=C(C)[C@@H](c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(Br)c(C)c2)N=N1,C64452809_decoy,ITAL,Decoy,0,-8.33445,-6.98,-2.17,-8.518266520940989
Cc1ccc(S(=O)(=O)C2=C([O-])C(=O)N(c3ccccc3)[C@@H]2c2ccc(C(C)C)cc2)cc1,C64558172_decoy,ITAL,Decoy,0,-8.3583,-10.07,-1.75,-10.279455731503948
CCCCOc1ccc(Br)cc1C(=O)Oc1ccc(Br)cc1C(=O)[O-],C66145580_decoy,ITAL,Decoy,0,-8.06829,-7.66,-2.42,-8.618031803314542
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)cc2)[C@H]1c1ccc(C(C)(C)C)cc1,C17917080_decoy,ITAL,Decoy,0,-7.28076,-8.71,-3.47,-7.828172720268776
CCC/C(=N\CCc1ccc(OCC)c(OCC)c1)C1=C([O-])C[C@H](c2ccccc2)CC1=O,C08846542_decoy,ITAL,Decoy,0,-8.66618,-7.85,-1.73,-10.864447299217176
O=S(=O)([N-]c1cc(OCC(F)(F)F)cc(OCC(F)(F)C(F)F)c1)c1cccs1,C20479879_decoy,ITAL,Decoy,0,-8.00117,-8.66,-2.37,-8.392591671109901
COc1ccc(CSCCc2c(C)nc(SCc3ccc(F)cc3)nc2[O-])cc1,C25502123_decoy,ITAL,Decoy,0,-6.51018,-7.1,-2.14,-4.9395295797005385
CCc1cc(-c2csc(S(=O)(=O)[N-]c3ccc(OC(F)(F)F)cc3)c2)on1,C33169541_decoy,ITAL,Decoy,0,-7.2812,-8.71,-1.82,-7.836617523957789
C=CCOc1ccc([C@@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2Cc2ccccc2)cc1,C33499914_decoy,ITAL,Decoy,0,-7.77387,-7.98,-3.05,-7.876275528045314
CCCCOc1ccc([C@@H]2C(C(=O)c3cccs3)=C([O-])C(=O)N2CCc2ccccc2)cc1,C33532716_decoy,ITAL,Decoy,0,-9.1871,-7.02,-3.58,-8.06822420662736
COCCN1C(=O)C([O-])=C(C(=O)c2cc(C)ccc2C)[C@H]1c1ccc(C(C)(C)C)cc1,C06382484_decoy,ITAL,Decoy,0,-8.91529,-7.77,-2.89,-13.1507006689836
CCOC(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N(CC)CC)N2[C@@H]1c1cc(C)ccc1C,C35693556_decoy,ITAL,Decoy,0,-7.49189,-6.02,-2.24,-7.486035957191022
CCC1=C(C(=O)OC)[C@@H](c2ccc(C)cc2)N2C(/C=C(\[O-])N(CC)CC)=CSC2=N1,C35696742_decoy,ITAL,Decoy,0,-8.4679,-6.98,-1.96,-8.762583383654095
CCN(C)/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@H](c3cccc(Cl)c3)N12,C36064914_decoy,ITAL,Decoy,0,-8.92948,-6.42,-2.93,-8.187680795771723
CCN(C)/C([O-])=C/C1=CSC2=NC(C)=C(C(=O)OC(C)C)[C@@H](c3cccc(Cl)c3)N12,C36064915_decoy,ITAL,Decoy,0,-9.10584,-3.82,-1.2,-5.231330244467636
CCCOc1cccc(C(=O)c2c(C)c(C#N)c(=O)n([C@H](C)c3ccccc3)c2[O-])c1,C38623197_decoy,ITAL,Decoy,0,-8.12441,-8.73,,99.0
CCCC[C@@H](S[C@@H]1N=C2C(=Nc3ccccc32)C(=O)N1c1cc(C)ccc1C)C(=O)[O-],C39373500_decoy,ITAL,Decoy,0,-9.19577,-8.67,-3.49,-10.837943558350952
C=CCOc1ccc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3)N(CC=C)C2=O)cc1,C39866692_decoy,ITAL,Decoy,0,-7.43181,-5.23,-1.9,-5.487985596523578
CCCCSc1nnc(/N=C([O-])/C(C#N)=C/c2ccc(Br)cc2)s1,C39996986_decoy,ITAL,Decoy,0,-7.34042,-5.12,-4.49,-4.180670224701873
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(C(C)C)cc1,C40026531_decoy,ITAL,Decoy,0,-8.03542,-7.59,-1.75,-8.290468952367185
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)cc2)[C@H]1c1ccc(C(C)C)cc1,C40026858_decoy,ITAL,Decoy,0,-7.89368,-8.71,-3.16,-8.189156237842045
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)c(C)c2)[C@H]1c1ccc(C(C)(C)C)cc1,C40027262_decoy,ITAL,Decoy,0,-8.09107,-8.27,-2.88,-8.15793352712889
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCCC)c(C)c2)[C@H]1c1ccc(C(C)C)cc1,C40027660_decoy,ITAL,Decoy,0,-9.30444,-8.85,-4.03,-9.561467085672996
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCCC)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1,C40027661_decoy,ITAL,Decoy,0,-8.70553,-8.02,-2.75,-12.16952652028776
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1ccc(C(C)C)cc1,C40027821_decoy,ITAL,Decoy,0,-8.64111,-8.55,-1.51,-11.6617544276994
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1ccc(OCCCCC)cc1,C40028911_decoy,ITAL,Decoy,0,-7.64436,-8.53,-1.55,-7.974441216101453
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(C)cc3)=C([O-])C(=O)N2CCCC)cc1,C40076491_decoy,ITAL,Decoy,0,-8.06816,-7.87,-3.78,-9.234349261767264
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(C(C)(C)C)cc1,C40078219_decoy,ITAL,Decoy,0,-8.45522,-7.46,-2.71,-8.189180783792054
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1cccc2ccccc12,C40078313_decoy,ITAL,Decoy,0,-7.76017,-8.45,-1.67,-10.535071558110818
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)cc2)[C@@H]1c1ccc(SC)cc1,C40078343_decoy,ITAL,Decoy,0,-8.81238,-7.84,-1.11,-10.769789628824537
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(SC)cc2)cc1,C40078990_decoy,ITAL,Decoy,0,-8.60779,-8.14,-2.94,-9.872267261160763
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)cc2C)[C@H]1c1ccc(SC)cc1,C40082849_decoy,ITAL,Decoy,0,-8.97436,-7.88,-3.23,-11.159831318089475
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)cc2C)[C@@H]1c1ccc(SC)cc1,C40082850_decoy,ITAL,Decoy,0,-9.32787,-7.61,-2.78,-12.62207910051958
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)cc2C)[C@@H]1/C=C/c1ccccc1,C40082862_decoy,ITAL,Decoy,0,-8.82874,-8.79,,99.0
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(C(C)C)cc2)c(C)c1,C40083435_decoy,ITAL,Decoy,0,-7.99763,-9.01,-1.75,-8.757374050662323
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(SC)cc2)c(C)c1,C40083485_decoy,ITAL,Decoy,0,-9.09419,-7.98,-2.78,-10.652057582430064
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(CC)cc2)c(C)c1,C40084010_decoy,ITAL,Decoy,0,-8.42418,-8.67,-2.19,-11.6512751159684
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCCC)c(C)c2)[C@@H]1c1ccc(SC)cc1,C40091894_decoy,ITAL,Decoy,0,-9.46106,-7.76,-1.26,-12.067725574135466
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccc(SC)cc2)cc1C,C40092528_decoy,ITAL,Decoy,0,-9.63591,-7.77,-1.48,-11.96966221290142
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccccc2)cc1C,C40092915_decoy,ITAL,Decoy,0,-7.97679,-7.98,-1.25,-10.459095520988509
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2CCCC)cc1,C40094707_decoy,ITAL,Decoy,0,-7.72044,-7.53,-2.55,-8.292428026884403
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(C(C)(C)C)cc2)cc1,C40099610_decoy,ITAL,Decoy,0,-7.72316,-8.65,-1.26,-8.308270780751306
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccc(C(C)C)cc2)cc1,C40099679_decoy,ITAL,Decoy,0,-8.1962,-8.2,-2.29,-9.71323103723543
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)c(F)c2)[C@H]1c1ccccc1OCCC,C40100192_decoy,ITAL,Decoy,0,-8.14632,-9.73,-2.24,-10.224330028502983
CCCCN1C(=O)C([O-])=C(C(=O)c2cccc(OCC)c2)[C@H]1c1ccc(C(C)C)cc1,C40101090_decoy,ITAL,Decoy,0,-8.62468,-9.28,-2.02,-9.79107785113812
COc1ccc(/C=C(C#N)/C([O-])=N/c2nc(-c3ccc(OC(C)C)cc3)cs2)cc1,C40927156_decoy,ITAL,Decoy,0,-7.28386,-5.54,-3.75,-5.222205327425773
CCCOc1ccc(/C=C(C#N)/C([O-])=N/c2nc(-c3ccc(CC)cc3)cs2)cc1,C40928693_decoy,ITAL,Decoy,0,-7.08514,-6.31,-2.19,-5.55146587031755
CCCOc1ccccc1/C=C(C#N)/C([O-])=N/c1nc(-c2ccc(Cl)cc2)cs1,C40948979_decoy,ITAL,Decoy,0,-8.36137,-8.73,-2.27,-7.785773418397208
COc1ccc(-c2nc(-c3cc(C(=O)[O-])c(C)n3CCC3=CCCCC3)cs2)cc1,C43252593_decoy,ITAL,Decoy,0,-9.28935,-8.52,-2.49,-8.958124907490403
CCC1=C(C(=O)OC)[C@@H](c2cc(C)ccc2C)N2C(/C=C(\[O-])N(C)C(C)C)=CSC2=N1,C35969792_decoy,ITAL,Decoy,0,-7.64783,-4.08,-1.31,-5.525604865701772
CCc1ccc(CN(Cc2ccccc2)/C([O-])=N/S(=O)(=O)c2ccc(C)cc2)cc1,C06123958_decoy,ITAL,Decoy,0,-8.5831,-9.06,-1.76,-9.166351374815836
CCC(C)(C)c1ccc(OCC(=O)Oc2ccc(C(=O)[O-])cc2Br)cc1,C66145216_decoy,ITAL,Decoy,0,-7.64267,-7.73,-3.32,-7.1300067663762
C[C@H](Oc1ccc(C(C)(C)C)cc1)C(=O)Oc1ccc(Br)cc1C(=O)[O-],C66145607_decoy,ITAL,Decoy,0,-8.28776,-8.21,,99.0
Cc1ccc(S(=O)(=O)N(C[C@H](O)Cn2c3ccccc3c3ccccc32)c2ccccc2C)cc1,C02272961_decoy,ITAL,Decoy,0,-8.68632,-10.91,,99.0
Cc1cc(C)c2cc(CN(CCc3ccccc3C)S(=O)(=O)c3ccc(F)cc3)c(=O)[nH]c2c1,C00914661_decoy,ITAL,Decoy,0,-7.69976,-5.83,-2.56,-5.735252065130661
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)c1cc(-c2ccccc2)nc2ccccc12,C01811319_decoy,ITAL,Decoy,0,-8.19976,-7.74,-1.87,-8.28016720229105
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2C(F)(F)F)c2cc(C)cc(C)c2)cc1,C02978893_decoy,ITAL,Decoy,0,-8.44884,-10.49,-2.04,-9.558367225767997
CC(C)(C)c1ccc(OC[C@H](O)CSc2nc(-c3cccs3)cc(C(F)(F)F)c2C#N)cc1,C08442337_decoy,ITAL,Decoy,0,-9.63969,-7.89,,99.0
CCOc1cc([C@@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)ccc1OCc1ccc(F)cc1,C02177238_decoy,ITAL,Decoy,0,-7.64152,-8.75,-2.5,-7.699922386852501
CCOc1cc([C@H]2Nc3ccccc3C(=O)N2c2ccc(C)cc2)ccc1OCc1ccc(F)cc1,C02177237_decoy,ITAL,Decoy,0,-7.40458,-7.96,-3.49,-6.90894692367435
CC(C)Oc1ccccc1/C=C(\C#N)C(=O)Nc1ncc(Cc2ccc(Cl)c(Cl)c2)s1,C02553543_decoy,ITAL,Decoy,0,-9.16495,-6.57,-2.3,-6.578747019701115
CC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H](c2ccc(O)cc2)C1C(=O)OCCc1ccccc1,C00847715_decoy,ITAL,Decoy,0,-10.3638,-10.41,-4.26,-11.809523279418883
CC(=O)N(c1ccccc1)c1nc(/C=C/C(=O)N[C@H](c2ccc(F)cc2)c2cccs2)cs1,C09900518_decoy,ITAL,Decoy,0,-9.35591,-8.4,-3.54,-13.70152942590697
COc1ccc(-c2cc(-c3ccccc3)c(C#N)c(S[C@H](C)C(=O)Nc3ccccc3C)n2)cc1,C06444094_decoy,ITAL,Decoy,0,-9.39506,-6.38,-1.95,-6.756153568013691
CCN(C(=O)c1ccc(NC(=O)c2cc(Br)ccc2OC(C)C)cc1)c1ccccc1,C13621715_decoy,ITAL,Decoy,0,-7.41679,-8.27,-3.48,-7.462462352485589
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3[C@H]3C=CC[C@H]32)cc1,C14480421_decoy,ITAL,Decoy,0,-7.74923,-4.87,-3.31,-5.750566898101433
CCN(C(=S)NC(=O)c1ccc(OCCc2ccccc2)c(Br)c1)c1ccccc1,C14766898_decoy,ITAL,Decoy,0,-9.02121,-7.33,-1.31,-11.54547957340566
Cc1ccc(C)c(S(=O)(=O)Nc2ccc(CCc3nc4ccccc4n3-c3ccccc3)cc2)c1,C15870809_decoy,ITAL,Decoy,0,-7.65498,-9.66,-2.55,-7.741467094371445
CCOC(=O)c1c(NC(=O)c2cc(-c3ccc(Cl)s3)nc3ccccc23)sc(C)c1CC,C02737236_decoy,ITAL,Decoy,0,-9.15274,-7.98,-2.83,-8.3516729912263
CCc1ccc([C@@H]2C(C(=O)OC[C@@H]3CCCO3)=C(C)NC3=C2C(=O)C[C@@H](c2cccs2)C3)s1,C09635802_decoy,ITAL,Decoy,0,-9.19993,-4.91,-4.39,-6.068680070279624
Cc1ccc(S(=O)(=O)N(CC(=O)Nc2ccccc2Br)Cc2ccccc2)cc1,C20368035_decoy,ITAL,Decoy,0,-8.88574,-4.72,-2.41,-6.001600041060781
CCCCOc1ccc(C(=O)Nc2nc3c(s2)Cc2c(Br)ccc(OC)c2-3)cc1,C20439908_decoy,ITAL,Decoy,0,-8.3124,-5.99,-1.37,-5.894193437993234
CCCCc1nc(N2CCN(C(=S)Nc3ccccc3)CC2)c(C#N)c2c1CSC(C)(C)C2,C20840571_decoy,ITAL,Decoy,0,-7.58535,-7.73,-2.47,-6.89070804761235
CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(C(C)(C)C)cc2)C3)ccc1OC(C)C,C21227319_decoy,ITAL,Decoy,0,-8.56322,-8.39,-3.05,-7.661024251813947
O=C(NCc1ccc(OC(F)(F)F)cc1)c1cncn1-c1ccc(-c2ccc(F)c(F)c2)cc1,C23462223_decoy,ITAL,Decoy,0,-6.48525,-5.93,-3.79,-5.118031242500992
CCOc1ccc([C@@](O)(c2ccccc2OC)[C@H](CN(C)Cc2ccccc2)c2ccccc2)cc1,C27259571_decoy,ITAL,Decoy,0,-8.51047,-8.72,-3.7,-9.74371286650853
O=C(CSc1nnc(-c2ccccc2Br)n1C1CCCCC1)NCc1ccccc1,C32687792_decoy,ITAL,Decoy,0,-9.87144,-9.45,-3.4,-9.810490108082318
CCCCOc1ccc(CCC(=O)Nc2ccc(I)cc2C)cc1OCC,C02609126_decoy,ITAL,Decoy,0,-7.69242,-6.28,-3.81,-6.232974699996222
CCOc1ccc([C@H]2Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3[C@H]3C=CC[C@@H]32)cc1,C36557915_decoy,ITAL,Decoy,0,-8.31699,-9.09,-2.12,-8.7106825763345
CCCCNC(=O)[C@H]([C@@H](C)c1ccccc1)N(CCC)C(=O)Cc1ccc(Br)cc1,C36567266_decoy,ITAL,Decoy,0,-8.31081,-9.09,-2.19,-10.845623785245108
C/C=C\[C@@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)Cc1ccc(Br)cc1)C(C)(C)C,C36583967_decoy,ITAL,Decoy,0,-7.61322,-7.07,-1.81,-7.810065115828711
C/C=C\[C@H](C(=O)NC(C)(C)CC(C)(C)C)N(C(=O)Cc1ccc(Br)cc1)C(C)(C)C,C36583969_decoy,ITAL,Decoy,0,-7.95701,-7.11,-2.78,-9.275355601441234
CC(C)=CC(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NC(C)(C)C)c1cc2ccccc2c2ccccc12,C36599374_decoy,ITAL,Decoy,0,-10.0188,-9.74,-3.93,-12.84413810347095
CCn1c(SCC(=O)Nc2ccc(C(C)C)cc2)nc2c(-c3ccc(C)cc3)csc2c1=O,C38486783_decoy,ITAL,Decoy,0,-9.26659,-7.69,-3.68,-8.398410864036778
Cc1ccc(SCCCC(=O)Nc2nc(-c3ccccc3)c(C(=O)c3ccccc3)s2)cc1,C36717359_decoy,ITAL,Decoy,0,-9.95032,-5.55,-4.49,-6.510904803247142
CCOC(=O)c1c(-c2ccccc2)csc1NC(=O)Cc1coc2ccc(Br)cc12,C39883282_decoy,ITAL,Decoy,0,-8.3743,-5.32,-3.14,-6.027925212440448
C=CCn1c(SCC(=O)Nc2cccc3ccccc23)nnc1-c1csc2c1CCCCC2,C39966645_decoy,ITAL,Decoy,0,-8.64397,-5.32,-2.8,-5.492336140978693
C=CCn1c(SCC(=O)NC23CC4CC(CC(C4)C2)C3)nnc1-c1csc2c1CCCCC2,C39966749_decoy,ITAL,Decoy,0,-9.27118,-8.85,-1.43,-13.788806579961438
O=C(Cc1ccc(-c2ccccc2)cc1)NCCCc1nc2ccccc2n1CCc1ccccc1,C40209226_decoy,ITAL,Decoy,0,-8.3829,-8.42,-3.05,-7.852820979085869
Cc1cccc(Cn2c(CCCCCNC(=O)c3cccc(Br)c3)nc3ccccc32)c1,C40213658_decoy,ITAL,Decoy,0,-8.73388,-9.09,-3.63,-9.341563832113314
O=C(Cc1ccccc1)NCCCCCc1nc2ccccc2n1Cc1cccc(Br)c1,C40220686_decoy,ITAL,Decoy,0,-9.63914,-8.56,-2.31,-10.800629664911462
COC(=O)c1c(NC(=O)COc2cccc(Br)c2)sc(C)c1-c1ccc(F)cc1,C40939584_decoy,ITAL,Decoy,0,-8.0121,-5.59,-1.63,-6.241857276888929
CCC/C=C/[C@H](C(=O)NC(C)(C)C)N(C(=O)Cc1ccc(Br)cc1)c1ccccc1,C36607881_decoy,ITAL,Decoy,0,-8.1568,-7.39,-1.41,-8.859114588637263
CCc1c(C)sc(NC(=O)CSc2nc(-c3ccc(C)cc3)cc(C(F)(F)F)n2)c1C#N,C58960205_decoy,ITAL,Decoy,0,-8.8021,-9.03,-1.1,-9.759105266345795
COc1ccc(CN(C(=S)Nc2cc(Cl)ccc2Cl)[C@H](C)c2ccccc2)c(OC)c1,C59087670_decoy,ITAL,Decoy,0,-9.38879,-8.07,-3.04,-10.319415405773237
COc1ccc(CN(Cc2ccc(N(C)C)cc2)C(=S)Nc2ccc(Cl)cc2Cl)cc1,C06287226_decoy,ITAL,Decoy,0,-9.61063,-8.4,-2.3,-10.044981490498792
CC(C)(C)c1ccc(/C=C2/SC(=O)N(CNc3ccccc3C(=O)c3ccccc3)C2=O)cc1,C59105679_decoy,ITAL,Decoy,0,-9.75029,-9.88,-2.1,-11.1413272667845
CCCCOc1ccc(C(=O)Nc2ccc3oc(-c4c(F)c(F)c(F)c(F)c4F)nc3c2)cc1,C59365295_decoy,ITAL,Decoy,0,-8.87086,-5.69,-1.6,-5.152669816472322
CCOc1cc(/C=C(/C#N)C(=O)Nc2ccc(C)cc2)cc(I)c1OCC,C59484037_decoy,ITAL,Decoy,0,-8.38689,-7.18,-2.59,-7.60069324247009
Cc1ccc(C(=O)C2=C([O-])C(=O)N(CCC3=c4ccccc4=[NH+]C3)[C@H]2c2ccc(C(C)C)cc2)cc1,C63546835_decoy,ITAL,Decoy,0,-9.08129,-9.95,-4.4,-15.362172353837211
CCCCCNC(=O)C1=CC(c2ccc(C)cc2)=NC2=NN=C(c3ccc(Br)cc3)[C@@H]12,C33085745_decoy,ITAL,Decoy,0,-8.43752,-5.24,-1.35,-6.109227935204577
CCCCOc1ccc(C2=N/C(=C\Nc3ccc(I)cc3C)C(=O)O2)cc1,C02947005_decoy,ITAL,Decoy,0,-8.50629,-5.42,-1.79,-5.858514033471799
CCc1ccc(CNC(=O)c2ccc(-c3c(-c4ccc(F)cc4)ncn3C3CCCCC3)o2)cc1,C65055147_decoy,ITAL,Decoy,0,-8.5574,-5.14,-3.13,-4.819544585069506
O=C([O-])c1cccc(-c2ccc(/C=C3/SC(=S)N(c4cccc(F)c4)C3=O)o2)c1,C00971683_decoy,ITAL,Decoy,0,-7.721,-9.2,,99.0
Cc1ccc(-n2c(SCC(=O)[O-])nc3sc4c(c3c2=O)CC(C)(C)SC4)cc1,C01834829_decoy,ITAL,Decoy,0,-8.56397,-5.53,-2.51,-5.793819886749913
CC(=O)C1=CC[C@@H]2[C@@H]3CC[C@H]4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@]4(C)[C@@H]3CC[C@]12C,C12660608_decoy,ITAL,Decoy,0,-8.5297,-4.46,-1.86,-5.394374836715103
O=C([O-])c1cc(S(=O)(=O)Oc2ccc(I)cc2)ccc1Cl,C13068107_decoy,ITAL,Decoy,0,-7.64365,-7.71,-1.36,-7.601227495547079
O=C([O-])c1cc(S(=O)(=O)Oc2ccc(I)cc2)ccc1F,C13068114_decoy,ITAL,Decoy,0,-8.30587,-8.08,-1.41,-10.681126916526908
CCN(Cc1ccc(Br)s1)S(=O)(=O)c1ccc(CCC(=O)[O-])cc1,C13089593_decoy,ITAL,Decoy,0,-8.29292,-7.24,-1.6,-13.042492867245588
Cc1cc(C(=O)CSc2nc(CC(=O)[O-])cs2)c(C)n1-c1ccc(Cl)cc1,C13415196_decoy,ITAL,Decoy,0,-8.23876,-6.14,-2.27,-8.0807752955252
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N(Cc4ccccc4)C3=O)o2)cc1,C14946053_decoy,ITAL,Decoy,0,-6.59843,-7.53,-1.11,-5.838949025519606
CCCOc1ccc(/C=C2\SC(=S)N(c3cc(C(=O)[O-])ccc3C)C2=O)cc1,C16930356_decoy,ITAL,Decoy,0,-8.9657,-7.96,-2.61,-10.958419618211906
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@H]2c2ccc(F)cc2)cc1,C05565182_decoy,ITAL,Decoy,0,-7.65488,-8.59,-2.04,-11.646134531709787
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(F)cc1,C09331361_decoy,ITAL,Decoy,0,-8.07989,-8.16,-1.95,-8.054979875664534
CCOc1ccc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccccc2F)cc1,C06784059_decoy,ITAL,Decoy,0,-7.80841,-8.43,-2.58,-9.44786611272276
Cc1cc(-c2ccc(S(=O)(=O)[N-]c3ccc(Br)cc3F)s2)on1,C20978355_decoy,ITAL,Decoy,0,-8.16642,-6.74,-2.15,-7.3711397633990545
COc1cc(/C=C(\Cl)c2nc([O-])c3cc(Cl)ccc3n2)ccc1OC(F)F,C27123020_decoy,ITAL,Decoy,0,-7.49569,-6.14,-2.48,-6.117381593358698
Cc1ccc(CN(CCc2ccccc2)C(=O)c2ccc(C(F)(F)F)nc2[O-])s1,C32905039_decoy,ITAL,Decoy,0,-7.59291,-9.32,-3.06,-9.578847065254086
CCSc1nc2ccc([N-]S(=O)(=O)c3ccc(OC)c(Cl)c3)cc2s1,C33298848_decoy,ITAL,Decoy,0,-9.105,-6.95,-1.74,-8.469092639104641
CC1=NO[C@](C(=O)[O-])([C@@H](OCc2ccc(F)cc2)c2ccc(Br)cc2)C1,C34258810_decoy,ITAL,Decoy,0,-8.73946,-5.07,-2.31,-5.761148972444155
COc1cc([C@@H]2c3sc([O-])nc3SC[C@H]2C=O)ccc1OCc1cccc(C)c1,C35531322_decoy,ITAL,Decoy,0,-8.35386,-5.94,-2.47,-6.519163397951758
O=S(=O)([N-]/N=C/c1cc(Br)cs1)c1ccc(Br)cc1,C36288196_decoy,ITAL,Decoy,0,-9.28459,-6.67,,99.0
Cn1c(/C=C(\C#N)c2nc([O-])c3ccccc3n2)ccc1-c1cccc(C(F)(F)F)c1,C11690318_decoy,ITAL,Decoy,0,-7.08172,-9.16,-4.36,-6.701958996633987
O=C(c1ccncc1)c1ccc([N-]S(=O)(=O)c2ccc(Br)s2)cc1,C01061234_decoy,ITAL,Decoy,0,-8.29994,-6.54,-1.94,-8.054993367416431
CCN(C[C@H]1CC=C(Cl)S1)C(=O)CCc1c(C)nc(SC(F)F)nc1[O-],C38785285_decoy,ITAL,Decoy,0,-7.74614,-6.58,-2.92,-7.242322959350274
CC1=C(c2ccc(Cl)cc2)[C@@H](/N=C/C2=C([O-])C[C@H](c3ccc(C)cc3)CC2=O)N=N1,C39012603_decoy,ITAL,Decoy,0,-7.17761,-8.92,-2.26,-6.365973683653406
O=C1/C(=C\c2cn(Cc3cccc(F)c3)c3ccccc23)N=C([S-])N1c1ccccc1,C39556955_decoy,ITAL,Decoy,0,-8.29699,-10.08,-3.58,-7.750505753775705
CC(C)N(C(=O)[C@@H](C)Oc1ccc(I)cc1C(=O)[O-])C(C)C,C13315425_decoy,ITAL,Decoy,0,-7.37063,-7.09,-1.88,-8.536991425096222
O=S(=O)([N-]c1cccc(C(F)(F)F)c1)c1cnc(Cl)c(Br)c1,C39753086_decoy,ITAL,Decoy,0,-7.66671,-8.37,-1.99,-10.886537310576212
N#CC(=C\c1cccc(Cl)c1)/C([O-])=N/c1nnc(SCc2ccccc2)s1,C39997114_decoy,ITAL,Decoy,0,-7.93171,-6.61,-3.42,-6.176543748367706
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@H]1c1ccccc1F,C40026016_decoy,ITAL,Decoy,0,-7.5676,-9.07,-1.08,-8.459359953868267
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(F)cc2)[C@@H]1c1cccc(Br)c1,C40027893_decoy,ITAL,Decoy,0,-8.54379,-8.84,-2.0,-8.74220446686375
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(C)c(F)c2)[C@@H]1c1cccc(Br)c1,C40028861_decoy,ITAL,Decoy,0,-8.05373,-4.54,-3.74,-5.13804734589646
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(C)c(F)c2)[C@H]1c1ccc(N(CC)CC)cc1,C40028978_decoy,ITAL,Decoy,0,-7.20995,-8.14,-1.78,-8.561468131141051
CCCCN1C(=O)C([O-])=C(C(=O)c2cccs2)[C@H]1c1ccc(Br)cc1,C40067531_decoy,ITAL,Decoy,0,-9.49303,-8.19,-2.97,-9.375972406790211
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(C)o2)[C@H]1c1ccc(Br)cc1,C40075760_decoy,ITAL,Decoy,0,-8.65616,-7.48,-1.31,-8.746644377871881
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OC(C)C)cc2C)[C@@H]1c1ccc(F)cc1,C40084514_decoy,ITAL,Decoy,0,-7.03688,-7.89,-2.06,-8.802053358273353
CCOC(=O)[C@@H]1[C@H](c2cccs2)c2sc([S-])nc2S[C@@H]1C(=O)OCC,C40475801_decoy,ITAL,Decoy,0,-10.1537,-5.82,-0.3,-17.22774530984271
CCOC(=O)[C@H]1[C@H](c2cccs2)c2sc([S-])nc2S[C@@H]1C(=O)OCC,C40475803_decoy,ITAL,Decoy,0,-11.1201,-6.46,-3.15,-9.825766531036283
CCOC(=O)[C@@H]1[C@@H](c2cccs2)c2sc([S-])nc2S[C@@H]1C(=O)OCC,C40475805_decoy,ITAL,Decoy,0,-10.1174,-6.54,-1.73,-10.06003360956752
O=C([O-])[C@H](c1ccccc1)N1C(=O)/C(=C/c2ccc(-c3ccccc3)o2)SC1=S,C40564233_decoy,ITAL,Decoy,0,-7.905,-7.12,-1.36,-9.210174118737116
N#CC(=C\c1ccc(Cl)cc1)/C([O-])=N/c1nnc(Cc2ccc(Cl)cc2)s1,C40858480_decoy,ITAL,Decoy,0,-7.7841,-5.63,-3.84,-5.319671373642752
CC(=O)C1=CC[C@@H]2[C@H]3CC[C@@H]4C[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]4(C)[C@@H]3CC[C@@]12C,C43737499_decoy,ITAL,Decoy,0,-7.57827,-4.1,-1.75,-5.587186106152172
O=S(=O)(Cc1ccccc1)/N=C(\[O-])c1cc(Br)c(Br)s1,C48519417_decoy,ITAL,Decoy,0,-8.39581,-3.44,-1.31,-4.833912313939018
COc1ccc(Br)cc1[N-]S(=O)(=O)c1sccc1Br,C44352172_decoy,ITAL,Decoy,0,-9.35134,-3.78,-0.67,-5.215424463208198
CCCOc1cccc(C(=O)n2c([O-])c3cc(Br)ccc3nc2=S)c1,C20595697_decoy,ITAL,Decoy,0,-7.22116,-5.81,-1.79,-5.182520484376942
Cc1cc(N2CCSCC2)ccc1[N-]S(=O)(=O)c1cc(Cl)sc1Cl,C60266491_decoy,ITAL,Decoy,0,-10.0136,-3.97,-2.96,-5.124333375267283
CC[C@@H](C)SC1=NC(=O)[C@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1ccc(Cl)cc1,C39775172_decoy,ITAL,Decoy,0,-9.00016,-4.34,-2.45,-5.30411783326147
CC[C@H](C)SC1=NC(=O)[C@@H]2C(=N1)N=C1CCCC([O-])=C1[C@H]2c1ccc(Cl)cc1,C39775177_decoy,ITAL,Decoy,0,-9.74801,-9.35,-4.55,-8.966282234245133
CC[C@@H](C)SC1=NC(=O)[C@@H]2C(=N1)N=C1CC(C)(C)CC([O-])=C1[C@H]2c1cccs1,C39775581_decoy,ITAL,Decoy,0,-9.01008,-4.97,-0.84,-5.608428418072359
CCCCSC1=NC(=O)[C@@H]2C(=N1)N=C1CC(C)(C)CC([O-])=C1[C@H]2c1cccs1,C39776055_decoy,ITAL,Decoy,0,-9.31007,-4.76,-1.92,-6.165820694791253
Cc1ccccc1[N-]S(=O)(=O)c1cc(-c2nc(-c3ccccc3)cs2)n(C)c1C,C64668069_decoy,ITAL,Decoy,0,-8.43231,-8.44,-1.59,-7.734258963164696
CC1=C[C@H](c2c(C)sc(C)c2S(=O)(=O)[N-]c2ccc(C(F)(F)F)cc2)N=N1,C64754250_decoy,ITAL,Decoy,0,-8.39304,-8.48,-2.55,-8.95095447662218
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC#N)cc3)c(=O)n2[C@H]1c1ccccc1,C01829956_decoy,ITAL,Decoy,0,-7.56479,-8.43,-3.02,-7.580878851991546
COc1ccc(CCN2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)cc1,C08821507_decoy,ITAL,Decoy,0,-7.38729,-5.07,-2.57,-5.425249040538947
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccs3)c(=O)n2[C@@H]1c1ccc(OC(C)=O)cc1,C08951211_decoy,ITAL,Decoy,0,-8.4935,-4.25,-3.13,-5.086370063996904
O=c1c2c3nc4ccccc4nc3n(/N=C/c3cccs3)c2ncn1CCC1=CCCCC1,C02436186_decoy,ITAL,Decoy,0,-9.65378,-9.76,-4.46,-10.654294485808324
COC(=O)C1=NN(c2ccc(C)cc2)[C@@]2(S1)SC(C(=O)OC)=C(C)N2c1ccccc1,C09111581_decoy,ITAL,Decoy,0,-8.64184,-3.89,-1.87,-4.796184484893159
COc1ccc2nc(N(/N=C/c3coc4ccccc4c3=O)C(=O)/C=C/c3cccs3)sc2c1,C09629633_decoy,ITAL,Decoy,0,-8.76237,-8.09,-3.74,-7.6352074814090996
CCOCCn1/c(=N/C(=O)c2ccc([N+](=O)[O-])cc2)sc2cc(Br)ccc21,C09724020_decoy,ITAL,Decoy,0,-8.81001,-7.72,-1.87,-9.13757232522226
COc1ccc(Cn2c(SCc3nc(-c4cccs4)no3)nc3ccccc3c2=O)cc1,C12415543_decoy,ITAL,Decoy,0,-8.75411,-4.78,-0.91,-5.13150710835418
COC(=O)C1=C(C)N=c2s/c(=C/c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1,C12416563_decoy,ITAL,Decoy,0,-8.07163,-8.23,-3.56,-9.995900966762076
Brc1ccccc1-c1nnc(CSc2nnc(-c3ccco3)n2C2CCCCC2)o1,C10276608_decoy,ITAL,Decoy,0,-8.91881,-4.66,-2.0,-6.230695507054798
CCCOc1ccc([C@@H]2c3c(oc4c(ccc5ccccc54)c3=O)C(=O)N2c2cc(C)on2)cc1,C13557320_decoy,ITAL,Decoy,0,-7.73862,-5.5,-1.6,-6.0093730142259
COc1ccc([C@@H]2C(C(=O)OC(C)C)=C(C)N=c3s/c(=C/c4cc(C)n(C)c4C)c(=O)n32)cc1,C15822570_decoy,ITAL,Decoy,0,-9.0048,-7.84,-2.18,-13.297057643850408
COc1cccc(-c2nnc(S[C@@H](C)c3nnc(-c4cccs4)o3)n2-c2ccccc2)c1,C17709499_decoy,ITAL,Decoy,0,-9.0236,-4.88,-2.42,-5.633775556328578
Clc1ccccc1-c1noc(CSc2nnc(-c3cccs3)n2C[C@H]2CCCO2)n1,C19296977_decoy,ITAL,Decoy,0,-9.70317,-7.79,-3.0,-8.300796480289796
COC(=O)C1=C(C)N=c2s/c(=C\c3cccc(OC)c3)c(=O)n2[C@H]1c1ccc(OC)cc1,C00635582_decoy,ITAL,Decoy,0,-7.39583,-8.23,-3.56,-8.142203959238753
Cc1cccc(-c2nc(CSc3nc4c(oc5ccccc54)c(=O)n3C[C@@H]3CCCO3)c(C)o2)c1,C21657959_decoy,ITAL,Decoy,0,-9.88232,-5.59,-2.0,-6.04421783425367
O=C(OCCCn1cnc2ccccc2c1=O)c1ccc(-c2cc3ccccc3oc2=O)cc1,C22469109_decoy,ITAL,Decoy,0,-7.67924,-8.25,-2.36,-8.839332219892809
CC(=O)N(c1nc(COC(=O)c2c(C)noc2C(C)C)cs1)c1c(C)cc(C)cc1Cl,C23032700_decoy,ITAL,Decoy,0,-8.26977,-7.42,-4.29,-7.622837055888576
COc1cccc(-c2noc(CSc3nc4cc(-c5ccccc5)sc4c(=O)n3C)n2)c1,C23127078_decoy,ITAL,Decoy,0,-9.00479,-9.35,-2.34,-9.8088881097392
Clc1ccc(-c2nnc(SCc3nc(-c4cccs4)no3)n2Cc2ccco2)cc1,C23222959_decoy,ITAL,Decoy,0,-9.28571,-7.94,-2.17,-10.769131666370422
COc1cccc2cc(-c3cc(=O)oc4cc(-c5ccccc5)c(OS(C)(=O)=O)cc34)oc12,C09323584_decoy,ITAL,Decoy,0,-7.80582,-5.26,,99.0
CCOC(=O)c1ccc(-c2ccc(/C=c3\sc4nc(-c5cccs5)nn4c3=O)o2)cc1,C34107891_decoy,ITAL,Decoy,0,-8.26814,-6.99,-1.18,-4.836655566703986
CCc1nnc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2cccc(Oc3ccccc3)c2)s1,C35490591_decoy,ITAL,Decoy,0,-8.96484,-8.39,-2.66,-7.545029401409388
CCCOc1ccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nnc(CC)s2)cc1,C35511977_decoy,ITAL,Decoy,0,-8.14414,-4.54,-3.6,-5.093405309637671
COc1ccc(-c2nnc(SCc3cc(=O)oc4cc(OC)ccc34)n2-c2ccccc2)cc1,C36772955_decoy,ITAL,Decoy,0,-8.5498,-8.56,-2.09,-8.20292846361382
CCCOc1cccc([C@H]2c3c(oc4cc(OCC)ccc4c3=O)C(=O)N2c2nccs2)c1,C38727577_decoy,ITAL,Decoy,0,-10.073,-5.01,-1.94,-6.055127526979519
CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nnc(C)s1)[C@H]3c1ccc(C(C)(C)C)cc1,C38727822_decoy,ITAL,Decoy,0,-9.06855,-4.39,-4.04,-5.177142790345658
C=CCOc1cccc([C@@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2nnc(CC)s2)c1,C38731280_decoy,ITAL,Decoy,0,-9.62,-5.23,-3.17,-5.772017009297231
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(OC(C)C)c1)N(c1nnc(CC)s1)C3=O,C38731293_decoy,ITAL,Decoy,0,-9.66312,-4.68,-4.66,-5.680272954363109
COc1ccc(C2=NC(=O)C3=C4CCCC[C@H]4SC3=N2)cc1COc1ccc2c(c1)OCO2,C39242975_decoy,ITAL,Decoy,0,-8.35977,-9.23,-4.55,-8.453590689552044
CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OC)cc2)S/C1=N\c1cccnc1,C39862837_decoy,ITAL,Decoy,0,-7.84201,-5.09,-2.55,-5.009951844658362
CCOC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(OCC)cc2)cc1,C39872002_decoy,ITAL,Decoy,0,-9.12558,-4.15,-1.79,-5.580182899290842
CCOC(=O)c1ccc(N2C(=O)c3oc4ccccc4c(=O)c3[C@@H]2c2cccc(OCC)c2)cc1,C39872885_decoy,ITAL,Decoy,0,-7.85587,-8.59,-1.24,-10.716819930100328
Cc1ccc(/C=C/c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccco4)c(=O)n3n2)cc1,C39993177_decoy,ITAL,Decoy,0,-9.54517,-9.14,-2.24,-7.221004799099679
CCOc1cccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nnc(C(C)C)s2)c1,C40008722_decoy,ITAL,Decoy,0,-9.14063,-10.13,-3.19,-9.848947095425846
CCOc1cccc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nnc(C(C)C)s2)c1,C40009213_decoy,ITAL,Decoy,0,-8.41021,-5.1,-1.11,-5.382438083841256
CCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1,C40041119_decoy,ITAL,Decoy,0,-9.65072,-4.3,-1.65,-5.40607789466564
CCCc1nnc(N2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@@H]2c2ccc(OCC)cc2)s1,C40041122_decoy,ITAL,Decoy,0,-8.80462,-3.99,-1.04,-4.730830836908939
C=CCOC(=O)c1sc(N2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@@H]2c2ccccc2)nc1C,C40045368_decoy,ITAL,Decoy,0,-8.61296,-5.04,-2.91,-6.1789666611425575
CCCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2cc(C)on2)cc1,C40056100_decoy,ITAL,Decoy,0,-9.0874,-5.54,-3.51,-5.42991269815994
C=CCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2c2nnc(CC)s2)cc1,C40058428_decoy,ITAL,Decoy,0,-8.90063,-4.47,-2.3,-5.307124078183726
CC(C)c1noc([C@@H](C)Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)n1,C27765552_decoy,ITAL,Decoy,0,-8.65138,-9.35,-1.82,-11.610021351591058
CC(=O)N(c1nc(CSc2nnnn2-c2ccc(C)c(C)c2)cs1)c1ccc(C)cc1C,C21574066_decoy,ITAL,Decoy,0,-7.74749,-7.4,-3.44,-7.00097112623056
CCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@H]3c3ccccc3OC)C2=O)cc1,C18120999_decoy,ITAL,Decoy,0,-8.24683,-5.22,-1.5,-6.233850088345553
C=CCn1/c(=N/C(=O)c2cccc(S(=O)(=O)C(C)C)c2)sc2cc(C(=O)OC)ccc21,C12309223_decoy,ITAL,Decoy,0,-8.59459,-5.39,-3.14,-5.647708946072223
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)C(C)C)cc2)sc2cc(C(=O)OC)ccc21,C12309271_decoy,ITAL,Decoy,0,-8.99777,-5.25,-2.28,-6.081951037075388
Cc1ccc(C)c2c1s/c(=N/C(=O)c1ccc(S(=O)(=O)N(C)C[C@@H]3CCCO3)cc1)n2C,C09832214_decoy,ITAL,Decoy,0,-8.35813,-8.07,-2.12,-6.943628833452884
Cc1c2c(cc3c1O/C(=C\c1cccc([N+](=O)[O-])c1)C3=O)CN(CCCc1ccccc1)CO2,C41587248_decoy,ITAL,Decoy,0,-7.48371,-8.54,-3.54,-6.484140473909994
CCCOc1ccc(Cn2c(=O)c3sccc3n3c(=O)n(Cc4cc(C)ccc4C)nc23)cc1,C64946633_decoy,ITAL,Decoy,0,-8.59682,-8.85,-1.8,-10.106500281303145
CCCCOc1ccc(-c2cc3c4nn(Cc5ccc(F)cc5F)c(=O)n4ccn3n2)cc1,C67260546_decoy,ITAL,Decoy,0,-7.96923,-7.06,-2.43,-6.185502361789665
CCOC(=O)C1=C(C)N=c2s/c(=C/c3cccnc3)c(=O)n2[C@H]1c1cccs1,C04808193_decoy,ITAL,Decoy,0,-8.43911,-4.8,-1.69,-5.59651063958214
CCc1nc2sc3c(c2c2nnc(SCC(=O)OC(C)C)n12)CC[C@H](C)C3,C04848063_decoy,ITAL,Decoy,0,-8.13148,-5.06,,99.0
COc1ccc(C2=NN(CN3C(=O)C(=O)c4ccccc43)[C@@H](c3cccs3)C2)cc1,C05354520_decoy,ITAL,Decoy,0,-8.40206,-7.59,-0.7,-7.392568386449409
CSc1nnc(-c2ccc(S(=O)(=O)Oc3cc(Cl)cc(Cl)c3)s2)n1C,C02152859_decoy,ITAL,Decoy,0,-8.03241,-7.58,-1.99,-10.05914028962772
C[C@H]1CCC[C@H](C)N1S(=O)(=O)c1ccc(S(=O)(=O)N(C)C2CCCCC2)cc1,C04895676_decoy,ITAL,Decoy,0,-7.56968,-6.54,-3.45,-5.972444032382
O=C(COc1ccccc1Cl)OCc1cc(=O)n2c3c(sc2n1)CCCC3,C07159589_decoy,ITAL,Decoy,0,-8.26263,-5.76,-2.59,-5.298778748065566
COc1ccc([C@H]2CC(=O)C3=C(C2)N=C(C)C(C#N)[C@H]3c2cccc(OC)c2OC)cc1,C08780645_decoy,ITAL,Decoy,0,-8.60291,-9.21,-2.84,-9.116713566044195
O=c1c2c(nc(SCc3ccccc3F)n1-c1ccc([N+](=O)[O-])cc1)CCS2,C08923296_decoy,ITAL,Decoy,0,-8.21683,-7.67,-3.35,-8.249449404280824
COC(=O)c1ccc(Cn2nc(-c3ccc(C)cc3C)c3sc(C)nc3c2=O)cc1,C08955837_decoy,ITAL,Decoy,0,-7.9263,-9.07,-2.04,-10.615721648356187
COc1ccc(S(=O)(=O)Oc2ccc3c(c2)O/C(=C\c2cccs2)C3=O)cc1,C09420179_decoy,ITAL,Decoy,0,-8.54139,-7.52,-1.54,-6.827765442896444
CCCOc1ccc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)cc1,C02252704_decoy,ITAL,Decoy,0,-8.60082,-4.11,-2.17,-4.978826475306538
C=CCOc1cccc([C@@H]2c3c(oc4ccccc4c3=O)C(=O)N2c2nccs2)c1,C02478079_decoy,ITAL,Decoy,0,-8.87274,-9.17,-3.64,-8.587459567489297
Cc1ccc(C(=O)OCC(=O)N2N=C(c3cccs3)C[C@H]2c2ccco2)cc1C,C11342523_decoy,ITAL,Decoy,0,-8.0388,-8.87,-0.83,-8.541813259774482
Cc1cc(Sc2nnc(-c3ccc(Br)o3)n2Cc2ccccc2)nc(C)n1,C12863968_decoy,ITAL,Decoy,0,-7.97978,-4.55,-1.52,-4.9029110449245055
O=C1/C(=C\c2cccn2-c2cccc([N+](=O)[O-])c2)SC(=S)N1Cc1ccccc1,C13546265_decoy,ITAL,Decoy,0,-7.70721,-9.01,-2.26,-7.897820162295682
CCn1nccc1C(=O)N(C[C@H]1CCCO1)c1nc2c(C)ccc(Cl)c2s1,C13699128_decoy,ITAL,Decoy,0,-9.03713,-7.5,-1.32,-10.131823711351466
CCn1nc(C(=O)N(Cc2cccnc2)c2nc3c(C)c(Cl)ccc3s2)cc1C,C13703559_decoy,ITAL,Decoy,0,-7.89017,-4.74,-2.23,-5.5776049402378325
CCn1nc(C(=O)N(C[C@@H]2CCCO2)c2nc3c(C)c(Cl)ccc3s2)cc1C,C13703657_decoy,ITAL,Decoy,0,-8.01856,-6.49,-1.88,-6.946882129444634
Fc1ccc([C@@H](c2nnnn2C2CCCC2)N2CCN(c3ccccc3)CC2)cc1,C19372948_decoy,ITAL,Decoy,0,-8.71265,-10.23,-2.56,-9.11531896820445
Cc1ccc(C)c(N2CCN([C@@H](c3cccs3)c3nnnn3C3CCCC3)CC2)c1,C20098434_decoy,ITAL,Decoy,0,-9.81372,-4.81,-0.87,-5.848900856945432
CC(C)(C)n1nnnc1[C@@H](c1ccc(Cl)cc1)N1CCN(c2ccccc2)CC1,C20139371_decoy,ITAL,Decoy,0,-8.31499,-5.56,-2.04,-5.668307328203598
Cc1cc(=O)oc2cc(OCC(=O)c3cc(C)n(-c4nccs4)c3C)c(Cl)cc12,C21281506_decoy,ITAL,Decoy,0,-7.55397,-8.62,-2.1,-8.832856186449792
COc1ccc(N2CCN(c3ncc4c(n3)CCN(Cc3ccc(C)s3)C4)CC2)cc1,C21640128_decoy,ITAL,Decoy,0,-8.78009,-4.46,-1.62,-5.108484607416261
Cc1occc1-c1nnc(S[C@@H](C)C(=O)/C=C2/N(C)c3ccccc3C2(C)C)o1,C22132711_decoy,ITAL,Decoy,0,-7.87963,-8.27,-3.81,-6.874750018333033
Cc1ccc(S(=O)(=O)N2CCCN(S(=O)(=O)c3ccc(C(C)C)cc3)CC2)cc1,C23025113_decoy,ITAL,Decoy,0,-7.90918,-8.43,-4.57,-8.473117830555248
Cc1nnc(COC(=O)c2c3c(nc4ccccc24)/C(=C/c2ccccc2)C[C@H](C)C3)o1,C23469940_decoy,ITAL,Decoy,0,-8.4188,-6.39,-4.37,-6.3710733005733085
C=C1c2ccccc2C(=O)N1CC(=O)OCC(=O)N1c2ccccc2CCc2ccccc21,C25460692_decoy,ITAL,Decoy,0,-7.95828,-11.09,-1.7,-12.444522777170851
N#C[C@@H](c1nc2ccccc2nc1OC1CCCCC1)S(=O)(=O)c1ccccc1,C32105231_decoy,ITAL,Decoy,0,-8.50454,-8.99,-1.18,-8.278651825971599
CC(C)=CCCC1=CC[C@H](/C=N/N2C(=O)N=C3C(=Nc4ccc(F)cc43)C2=O)[C@@H](C)C1,C38597208_decoy,ITAL,Decoy,0,-9.49374,-7.77,-1.5,-7.456020383830123
CCOCCn1/c(=N/C(=O)c2cnn(-c3ccccc3)c2C)sc2ccccc21,C38830205_decoy,ITAL,Decoy,0,-7.56967,-8.76,-2.45,-7.599545493703969
CCOc1cc(S(=O)(=O)Oc2ccccc2)n2c(I)cnc2c1,C39463634_decoy,ITAL,Decoy,0,-7.88458,-4.1,-0.85,-4.716262838500967
CC(C)S(=O)(=O)N1CCC(CN2C(=O)N(Cl)CC2(C)C)(C2CCCCC2)CC1,C39487045_decoy,ITAL,Decoy,0,-8.84097,-6.77,-2.19,-7.433746710851411
FC(F)(F)c1ccc(/C=N/N2[C@@H](S)N=N[C@H]2[C@H]2C=C(c3ccccc3)N=N2)cc1,C39590660_decoy,ITAL,Decoy,0,-7.46435,-7.16,-3.69,-5.888922278350608
CCOC(=O)c1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccccc2)cc1,C39875679_decoy,ITAL,Decoy,0,-8.19133,-4.43,-1.42,-4.610737616693194
COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2C)ccc1OCc1ccccc1,C39908788_decoy,ITAL,Decoy,0,-7.72753,-6.42,-2.83,-6.357704688876079
Cc1nc(Sc2nnc(COc3ccccc3Cl)n2C)c2c3c(sc2n1)CCC3,C40020230_decoy,ITAL,Decoy,0,-7.74323,-7.8,,99.0
CC(C)c1ccc(CN2C[C@@H](c3noc(-c4ccc(Br)o4)n3)CC2=O)cc1,C44425853_decoy,ITAL,Decoy,0,-7.94618,-8.13,-3.1,-7.32178675435944
COc1ccc(CN2C[C@H](c3nc(-c4ccc(C(C)(C)C)cc4)no3)CC2=O)cc1,C44440536_decoy,ITAL,Decoy,0,-7.68303,-7.71,-2.12,-6.448362961747327
N#Cc1ccccc1-c1ccc(CSc2nnc([C@H]3COc4ccccc4O3)o2)cc1,C45773024_decoy,ITAL,Decoy,0,-8.54497,-7.7,-2.6,-6.407489089729534
Cc1ccc2oc(C(=O)N(Cc3ccc([C@@H]4C[C@@H]4C)o3)[C@@H]3CCS(=O)(=O)C3)c(C)c2c1,C47133133_decoy,ITAL,Decoy,0,-8.89427,-8.85,-1.91,-8.829606864542177
COc1ccc([C@@H]2CC(c3ccccc3)=NN2C2=NC(=O)S/C2=C\c2ccco2)cc1,C54201196_decoy,ITAL,Decoy,0,-9.01284,-8.75,-1.84,-10.258569111062242
COc1cccc(-c2nn(-c3ccccc3)cc2/C=C2\C(=O)N(c3ccccc3)N=C2C)c1,C35446366_decoy,ITAL,Decoy,0,-7.71266,-8.86,-4.43,-8.15432358190443
O=C(c1ccc([N+](=O)[O-])s1)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,C14893947_decoy,ITAL,Decoy,0,-8.0052,-8.76,-2.38,-9.676150885937329
O=C1ON=C(c2ccc(Cl)cc2)/C1=C\c1ccc(OS(=O)(=O)c2ccccc2)cc1,C59483077_decoy,ITAL,Decoy,0,-8.06212,-8.81,-2.18,-9.575207654227878
CCOc1ccc(C=C2C(=O)N(c3ccccc3C)C(=O)N(c3ccccc3C)C2=O)cc1,C59484139_decoy,ITAL,Decoy,0,-8.06559,-5.46,-2.38,-6.175821946800729
CCCCN1C(=O)[C@@H]2[C@H](ON(c3ccccc3C)[C@@H]2c2ccc(N(C)C)cc2)C1=O,C04166064_decoy,ITAL,Decoy,0,-8.603,-5.02,-3.41,-5.729142010594639
COc1ccc(CCN2COc3c(cc4c(c3C)O/C(=C\c3ccc(C)o3)C4=O)C2)cc1,C41588594_decoy,ITAL,Decoy,0,-8.84438,-6.63,-3.2,-5.849744240558466
O=C1N=C(CSc2nnc(-c3ccccc3F)n2C2CCCCC2)N=C2C=CS[C@H]12,C39934461_decoy,ITAL,Decoy,0,-8.2265,-8.43,-2.8,-7.986741823020715
Cc1ccc(S(=O)(=O)N(C)CCc2noc(-c3ccc(Cl)cc3)n2)c(C)c1,C64841647_decoy,ITAL,Decoy,0,-7.61245,-9.4,-2.11,-7.764580919629335
CCc1ccc(N(Cc2ccccc2F)S(=O)(=O)c2cccn3cnnc23)cc1,C65185194_decoy,ITAL,Decoy,0,-8.27956,-8.99,-2.92,-8.717999958758337
COc1ccc(CCN2C(=O)/C(=C3/C(=O)N(C(C)=O)c4ccccc43)SC2=S)cc1OC,C08821620_decoy,ITAL,Decoy,0,-7.40956,-5.94,-2.53,-5.493930054779731
O=C(CSc1nc2ccccc2c(=O)n1Cc1ccco1)N1CCC(c2ccccc2)=N1,C09011143_decoy,ITAL,Decoy,0,-7.91589,-9.9,-3.78,-11.804720020142014
Cc1cc(/C=C2\SC(=S)N(Cc3ccco3)C2=O)c(C)n1-c1ccc([N+](=O)[O-])cc1,C01150404_decoy,ITAL,Decoy,0,-7.88811,-5.84,-1.56,-5.047443835045598
CCOC(=O)[C@@H]1CCCN(C(=O)c2sc3nc(C)nc(N4CCC(C)CC4)c3c2C)C1,C00753924_decoy,ITAL,Decoy,0,-7.87959,-4.82,,99.0
Cc1nn([C@H]2CCS(=O)(=O)C2)c(C)c1CN(C)c1ncnc2sc(-c3ccccc3)cc12,C09514467_decoy,ITAL,Decoy,0,-8.30979,-8.06,-2.19,-8.669926826566838
CC[C@@H](C)N(C(=O)CSc1nnc2cc(C)c3ccccc3n12)[C@H]1CCS(=O)(=O)C1,C09666164_decoy,ITAL,Decoy,0,-8.25465,-8.64,-1.53,-8.55687035522381
C[C@@H](c1nc2ccccc2s1)N(C)C(=O)CSc1nnnn1-c1ccc(Cl)cc1,C09780865_decoy,ITAL,Decoy,0,-8.05119,-8.06,-3.13,-7.74328383282806
C[C@@H]1C[C@@H](C)CN(C(=O)CSc2nnc([C@@H]3COc4ccccc4O3)n2-c2ccccc2)C1,C10090322_decoy,ITAL,Decoy,0,-8.4935,-7.51,-3.45,-7.6673519167040896
CCN(Cc1nc2c(c(=O)c3ccccc3n2C)c(=O)n1Cc1ccco1)c1ccccc1,C11692008_decoy,ITAL,Decoy,0,-8.56918,-7.3,-1.97,-9.248545461861502
CCN(CC)S(=O)(=O)c1ccc(-c2nc(C#N)c(N3CCc4ccccc4C3)o2)cc1,C12421051_decoy,ITAL,Decoy,0,-7.41492,-7.36,-1.82,-6.22694659214016
CN(Cc1ccc(-c2ccc(Br)cc2)o1)C(=O)c1cccc(-n2cnnn2)c1,C09764909_decoy,ITAL,Decoy,0,-6.76156,-8.39,-2.43,-6.791107045650136
O=C(O[C@@H](C(=O)N1CCCCC1)c1ccccc1)c1cccc(N2CCCS2(=O)=O)c1,C12893175_decoy,ITAL,Decoy,0,-8.14276,-9.27,-3.59,-9.824414788440622
Cc1c(CC(=O)N(C)CC(=O)N(C)C)c(=O)oc2cc3occ(-c4ccc(Cl)cc4)c3cc12,C09134304_decoy,ITAL,Decoy,0,-8.07178,-5.81,-1.46,-6.334164238961034
CS(=O)(=O)N1CCC(C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Cl)cc3s2)CC1,C13789190_decoy,ITAL,Decoy,0,-7.69811,-8.87,-1.62,-6.095785211003676
C=CCn1c(SCC(=O)N2c3ccccc3C[C@H]2C)nnc1[C@H]1COc2ccccc2O1,C14249556_decoy,ITAL,Decoy,0,-7.13539,-9.13,-2.17,-7.092524903606948
O=C(c1cnc2ccccn2c1=O)N1CCn2c(CCc3ccccc3)nc(-c3ccccc3)c2C1,C14536843_decoy,ITAL,Decoy,0,-8.56311,-7.17,-2.86,-8.056077134689406
COC(=O)c1cc(C2CC2)nc2c1c(-c1ccc(Cl)cc1)nn2[C@H]1CCS(=O)(=O)C1,C16850714_decoy,ITAL,Decoy,0,-10.2306,-7.63,-1.79,-8.989440994019548
CCOc1cc([C@H]2[C@@H]3C(=O)CC(C)(C)CC3=Nc3ccccc3N2C(C)=O)ccc1OC(C)=O,C17137962_decoy,ITAL,Decoy,0,-7.5431,-5.07,-3.44,-5.2654674315861225
Cc1ccc(COC(=O)c2cc(C3CC3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1,C21441340_decoy,ITAL,Decoy,0,-8.20224,-5.4,-2.44,-5.629481743678295
CN(Cc1ccnn1C)C(=O)c1nn2c(C(F)(F)F)cc(-c3cccs3)nc2c1Cl,C02791972_decoy,ITAL,Decoy,0,-6.57587,-7.57,-0.97,-7.029715608174821
COC(=O)CCc1c(C)nc2c(c(-c3ccc(F)cc3)nn2[C@@H]2CCS(=O)(=O)C2)c1C,C23136721_decoy,ITAL,Decoy,0,-9.32877,-4.63,-2.55,-5.425438474051184
COC(=O)c1cccc(S(=O)(=O)N2CCN([C@@H](C)c3nc4ccccc4s3)CC2)c1,C24361204_decoy,ITAL,Decoy,0,-7.95586,-8.3,-2.08,-7.377800016025638
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)OCC(=O)N1C[C@H](C)C[C@@H](C)C1,C24843726_decoy,ITAL,Decoy,0,-8.06078,-7.04,-4.58,-7.1125152813606665
CCc1cc2c(=O)n(CC(=O)N3N=C(c4cccs4)C[C@@H]3c3ccco3)cnc2s1,C24962948_decoy,ITAL,Decoy,0,-9.28473,-8.79,-3.73,-9.48740486965696
COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1cccs1,C26687940_decoy,ITAL,Decoy,0,-9.33286,-4.55,-2.28,-5.774680826422284
CCn1c(Cn2c(C(F)(F)F)nc3ccccc32)nc2cc(S(=O)(=O)N(C)C)ccc21,C31818056_decoy,ITAL,Decoy,0,-7.39864,-7.77,-0.99,-8.99801675158226
COc1ccc(N2C[C@H](c3nc4ccccc4n3CC(=O)N3CCCCCC3)CC2=O)cc1,C31903655_decoy,ITAL,Decoy,0,-8.73044,-6.28,-2.28,-6.298849878980378
COc1cc([C@@H]2CC(=O)N3CN(C4CCCCC4)CSC3=C2C#N)cc(OC)c1OC,C20238249_decoy,ITAL,Decoy,0,-7.93263,-6.93,-2.68,-6.7580192453520045
CN(Cc1ccccc1)S(=O)(=O)c1ccc(S(=O)(=O)n2cnc3ccccc32)cc1,C35289659_decoy,ITAL,Decoy,0,-7.50339,-8.37,-2.7,-8.981532267184358
CCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nnc(CC)s2)c1,C35512214_decoy,ITAL,Decoy,0,-8.60798,-5.05,-2.99,-5.05224351114315
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1OC,C35515156_decoy,ITAL,Decoy,0,-7.8086,-5.07,-1.39,-5.208142235996023
CC(=O)O[C@H]1CC[C@]2(C)[C@@H]1[C@@H]1C[C@H](OC(C)=O)[C@H]3CC(=O)CC[C@]3(C)[C@@H]1C[C@@H]2OC(C)=O,C36370785_decoy,ITAL,Decoy,0,-6.04069,-4.56,,99.0
Cc1cc(C(=O)N(CCN2CCOCC2)c2nc3c(F)cc(F)cc3s2)n(C(C)C)n1,C38507114_decoy,ITAL,Decoy,0,-8.72027,-7.64,-1.57,-8.788907176537975
Clc1cccc(N2CCN([C@H](c3ccccc3)c3nnnn3C[C@@H]3CCCO3)CC2)c1,C39980836_decoy,ITAL,Decoy,0,-9.16469,-7.78,-0.95,-11.148966996293558
O=C(OCCCN1C(=O)c2ccc(Br)cc2C1=O)[C@H]1COc2ccccc2O1,C40881310_decoy,ITAL,Decoy,0,-7.79921,-5.17,-1.97,-5.119487735065753
CC(=O)O[C@H]1CC[C@@]2(C)[C@H]1[C@@H]1C[C@H](OC(C)=O)[C@@H]3CC(=O)CC[C@]3(C)[C@@H]1C[C@@H]2OC(C)=O,C43756928_decoy,ITAL,Decoy,0,-6.61192,-4.18,-2.22,-4.854363038077086
Cc1ccccc1COC(=O)c1cc(C2CC2)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1,C45642918_decoy,ITAL,Decoy,0,-7.98073,-8.7,-3.38,-9.615926756006964
Cc1c(C(=O)N(Cc2ccc(N3CCCCC3)o2)[C@@H]2CCS(=O)(=O)C2)oc2ccccc12,C47132033_decoy,ITAL,Decoy,0,-8.48559,-8.46,-2.92,-7.729825341865024
COC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(OC)cc1)CC(=O)N2c1ccc(F)cc1,C49550461_decoy,ITAL,Decoy,0,-7.62908,-4.34,-1.97,-4.769803765736095
O=S(=O)(c1ccc(Br)s1)N1CCN(Cc2cc(-c3ccco3)on2)CC1,C58010140_decoy,ITAL,Decoy,0,-7.77723,-4.59,-2.61,-4.258101822380976
Cc1nn(C)c(=O)c(C(=O)OCC(=O)c2cc(C)n(-c3ccc(F)c(Cl)c3)c2C)c1C,C58615522_decoy,ITAL,Decoy,0,-7.20211,-8.02,-2.13,-6.6075263265392055
O=C1c2cccc(N3CCN(Cc4cccs4)CC3)c2C(=O)N1C[C@@H]1COc2ccccc2O1,C15000149_decoy,ITAL,Decoy,0,-8.79308,-6.62,-2.12,-5.964973332293979
Cc1ccc(N2C[C@H](C(=O)Oc3ccc(N4C(=O)[C@@H]5[C@H](CC=C[C@@H]5C)C4=O)cc3)CC2=O)cc1,C35900245_decoy,ITAL,Decoy,0,-7.22367,-6.33,-2.02,-4.938890742607416
Cc1cc(C)cc(N2C[C@H](C(=O)Oc3cccc(N4C(=O)[C@H]5[C@@H](C)C=CC[C@H]5C4=O)c3)CC2=O)c1,C35900431_decoy,ITAL,Decoy,0,-7.56885,-10.18,-3.31,-6.932108015585992
CC(C)c1ccc(S(=O)(=O)N2CCN(CC3=NC(=O)C4=C5CCC[C@H]5SC4=N3)CC2)cc1,C39941091_decoy,ITAL,Decoy,0,-8.67797,-8.67,-4.41,-7.311734750033316
CC(=O)N(Cc1ccc(F)cc1)c1nc2ccccc2n(CC(=O)N2CCc3ccccc32)c1=O,C64791445_decoy,ITAL,Decoy,0,-6.2437,-8.98,-3.81,-6.8035901092275655
CC(=O)c1ccc(N2CCN(S(=O)(=O)c3c(C)sc(C)c3-c3ccno3)CC2)cc1,C64845121_decoy,ITAL,Decoy,0,-7.70195,-5.38,-1.61,-5.30312049910523
Cc1ccc(N(C)S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCC4)s3)n(C)c2)cc1C,C65137461_decoy,ITAL,Decoy,0,-8.10887,-6.82,-2.15,-6.244360861433729
COc1cccc(CN(c2cc(F)cc(F)c2)S(=O)(=O)c2cccn3c(C)nnc23)c1,C65185311_decoy,ITAL,Decoy,0,-7.98678,-8.89,-1.34,-9.927646109719944
CCc1ccc(C2=C(C)C(N3CCCN(S(=O)(=O)C(C)C)CC3)=NS2(=O)=O)cc1,C65272009_decoy,ITAL,Decoy,0,-7.6274,-7.37,-3.01,-8.058996422706985
O=C1/C(=C/c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])SC(=S)N1Cc1ccccc1,C02959276_decoy,ITAL,Decoy,0,-9.85151,-9.3,-2.46,-14.135203711755551
COc1ccc(CCN2C(=O)c3oc4ccc(C)cc4c(=O)c3[C@@H]2c2ccc(OC)c(OC)c2)cc1OC,C08917091_decoy,ITAL,Decoy,0,-7.97325,-7.42,-2.31,-6.749412660588258
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(C[C@@H]2CCCO2)c2nc3ccc(C)cc3s2)cc1,C09068792_decoy,ITAL,Decoy,0,-8.35086,-8.44,-4.75,-10.440705954704226
COc1cc(/C=C2\Oc3cc(OCC(=O)c4oc5ccc(F)cc5c4C)ccc3C2=O)cc(OC)c1OC,C09184523_decoy,ITAL,Decoy,0,-8.14098,-7.87,-2.66,-6.91802853719639
COc1ccccc1-c1nc2s/c(=C\c3cc(Br)c(OC(C)=O)c(OC)c3)c(=O)n2n1,C02438844_decoy,ITAL,Decoy,0,-7.37898,-7.55,-2.16,-7.597285637023917
COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N4CCCCC4)cc3)sc2c1,C11062254_decoy,ITAL,Decoy,0,-9.60416,-6.26,-1.32,-7.506237746585245
COc1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)sc2c1,C11062306_decoy,ITAL,Decoy,0,-9.28375,-6.39,-3.1,-6.841171357676808
COc1ccc(OC)c2sc(N(C[C@H]3CCCO3)C(=O)c3ccc(S(=O)(=O)C(C)C)cc3)nc12,C11143679_decoy,ITAL,Decoy,0,-6.99174,-5.75,-2.66,-5.813448006221335
CC1CCN(c2nnc(SCC(=O)N3N=C(c4cccs4)C[C@H]3c3ccco3)n2C2CC2)CC1,C11424305_decoy,ITAL,Decoy,0,-8.95525,-8.47,-2.51,-10.740166287799727
CC[C@@H](C)N(C(=O)COc1ccc2c(=O)c(Oc3ccccc3)c(C)oc2c1)[C@@H]1CCS(=O)(=O)C1,C13128046_decoy,ITAL,Decoy,0,-7.91521,-7.44,-2.81,-6.6074621788588
CC1=CS/C(=C(/C#N)c2nnc(N3CCOCC3)n2-c2ccccc2)N1c1ccc(OC(F)F)cc1,C03198670_decoy,ITAL,Decoy,0,-8.50017,-5.09,-3.62,-5.383063162610975
CCOC(=O)Cn1/c(=N/C(=O)[C@@H]2CCCN(S(C)(=O)=O)C2)sc2cc(Br)ccc21,C13791795_decoy,ITAL,Decoy,0,-10.5553,-7.9,-1.94,-11.041893974921924
CN(Cc1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1)C(=O)CCc1nc(-c2ccncc2)no1,C14020663_decoy,ITAL,Decoy,0,-8.59906,-7.88,,99.0
O=C1/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2[N+](=O)[O-])SC(=S)N1c1ccccc1,C15768734_decoy,ITAL,Decoy,0,-7.84972,-7.78,-1.89,-8.755346258110437
CC(=O)N(c1cccc(Cl)c1)c1nc(COC(=O)CCN2C(=O)[C@H](C)Oc3ccccc32)cs1,C16193873_decoy,ITAL,Decoy,0,-8.06174,-7.66,-3.09,-6.828644229074715
Cc1nn(Cc2ccccc2)c2sc(C(=O)OCC(=O)C(C#N)=C3N(C)c4ccccc4N3C)cc12,C16249847_decoy,ITAL,Decoy,0,-8.73929,-8.64,,99.0
O=C(CCC1CCCC1)N1CCSC12CCN(S(=O)(=O)c1ccc(Cl)c([N+](=O)[O-])c1)CC2,C16492578_decoy,ITAL,Decoy,0,-9.45755,-7.66,-3.18,-7.789165865612198
Cc1nnnn1/C(=C\c1ccccc1)C(=O)OCC(=O)N1c2ccccc2SC[C@H]1c1ccccc1,C17716588_decoy,ITAL,Decoy,0,-7.19,-9.16,-4.13,-7.641067954054448
COc1ccc(C)cc1-n1c(=O)c2ccccc2n2c(S[C@@H](C(=O)N(C)C)c3ccccc3)nnc12,C17741578_decoy,ITAL,Decoy,0,-8.27364,-6.7,-2.39,-6.776119194549007
CCOC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(OC)cc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@H]1S2,C18178514_decoy,ITAL,Decoy,0,-8.65259,-5.25,-1.67,-6.08887421004987
CCN1CCN(C2=NC(=O)/C(=C/c3ccc(OS(=O)(=O)c4ccc(C)cc4)c(OC)c3)S2)CC1,C19842294_decoy,ITAL,Decoy,0,-9.01146,-7.62,-2.31,-8.830840028674745
Cc1nn(-c2ccccc2)c2sc(C(=O)OCCN3CCN(S(=O)(=O)c4cccs4)CC3)cc12,C25336247_decoy,ITAL,Decoy,0,-9.06534,-7.74,-2.58,-6.627421168375061
N#Cc1ccccc1CN1C(=O)c2ccccc2S(=O)(=O)c2ccc(C(=O)OCc3ccco3)cc21,C32943533_decoy,ITAL,Decoy,0,-7.17469,-5.64,-2.74,-5.07772507031761
COc1cccc(-c2nnc(SCc3nc(C(=O)N4C[C@@H](C)O[C@@H](C)C4)cs3)n2-c2ccccc2)c1,C16460817_decoy,ITAL,Decoy,0,-9.37117,-8.82,-2.72,-11.002800737879268
CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nnc(C)s2)cc1OCC,C35485605_decoy,ITAL,Decoy,0,-8.40454,-6.25,-1.29,-7.172865913410947
CCOc1cc([C@@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nncs2)ccc1OCCC(C)C,C35490481_decoy,ITAL,Decoy,0,-9.30381,-8.19,-2.91,-8.217773528141151
CCCOc1cccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc(C)c(C(=O)OCC)s2)c1,C35513612_decoy,ITAL,Decoy,0,-8.92846,-5.02,-3.23,-6.283719191363904
CO[C@H]1O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@@H](OCc2ccccc2)[C@H]1N1C(=O)c2ccccc2C1=O,C35645126_decoy,ITAL,Decoy,0,-7.34598,-6.09,-3.08,-5.69630624641782
Cc1ccc(S(=O)(=O)N(Cc2c(-c3ccccc3F)noc2N2CCOCC2)C[C@H]2CCCO2)cc1,C35781116_decoy,ITAL,Decoy,0,-8.16865,-7.68,-3.23,-8.283106791977326
CCCc1nc(N2CCCN(S(=O)(=O)Cc3ccccc3)CC2)c2c(C)nn(-c3ccccc3)c2n1,C35908740_decoy,ITAL,Decoy,0,-9.07272,-9.0,-3.18,-8.670339393294624
Cc1noc(C)c1CSc1nc2cc(S(=O)(=O)N3CCC[C@H](C)C3)ccc2n1C[C@H]1CCCO1,C37284928_decoy,ITAL,Decoy,0,-8.87867,-7.71,-1.42,-7.685775358716475
Cc1ccc(N(CC(=O)N2CCN(c3cccc(C)c3C)CC2)S(=O)(=O)c2c(C)nn(C)c2C)cc1,C08596599_decoy,ITAL,Decoy,0,-7.56425,-9.36,-3.73,-7.500000739260323
COc1ccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C\c5ccc(OC)cc5)S4)CC3)=NC2=O)cc1,C11582382_decoy,ITAL,Decoy,0,-8.64906,-5.02,-2.01,-5.862064328241719
CCCCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1OC,C38648550_decoy,ITAL,Decoy,0,-9.08644,-5.27,-2.62,-5.828045626726378
Cc1cc(C)n(CCN(C(=O)[C@@H]2CCCN2S(=O)(=O)c2cccs2)c2nc3ccccc3s2)n1,C38901639_decoy,ITAL,Decoy,0,-10.2208,-9.18,-2.52,-10.78710194582784
COc1cc(C(=O)N(CCn2nc(C)cc2C)c2nc3c(F)cc(F)cc3s2)cc(OC)c1OC,C38902418_decoy,ITAL,Decoy,0,-7.28524,-7.7,-3.49,-7.587284434269059
COc1ccc(C2=NN(C(=O)Cn3cnc(-c4ccc(F)cc4)cc3=O)[C@@H](c3ccc(OC)cc3)C2)cc1,C38903181_decoy,ITAL,Decoy,0,-8.66624,-8.92,-2.72,-8.63135218060974
Cc1c(/N=C/c2ccc(/C=N/[C@@H]3C(=O)N(c4ccccc4)N(C)[C@H]3C)cc2)c(=O)n(-c2ccccc2)n1C,C39383900_decoy,ITAL,Decoy,0,-8.04803,-5.94,-3.32,-5.623824256058014
CCO[C@H]1C(=O)c2cc3c(cc2[C@@H](c2cccc(S(=O)(=O)Oc4ccccc4)c2)[C@@H]1C(C)=O)OCO3,C39483922_decoy,ITAL,Decoy,0,-10.0706,-5.31,-2.53,-6.281424222359775
COc1ccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C/c5ccc(OC)cc5)S4)CC3)=NC2=O)cc1,C39983534_decoy,ITAL,Decoy,0,-9.57055,-6.03,-2.81,-7.439133376415423
COc1ccccc1Oc1nc2ccc(C)cn2c(=O)c1/C=C1\SC(=S)N(Cc2ccco2)C1=O,C39999323_decoy,ITAL,Decoy,0,-10.2256,-5.19,-2.57,-5.7950290847139865
CCc1c(C(=O)N2CCN(C(=O)CCC3CCCC3)[C@H](C)C2)cnn1-c1nc(-c2ccc(OC)cc2)cs1,C40361032_decoy,ITAL,Decoy,0,-8.58349,-6.67,-4.23,-9.255125367070091
C[C@@H]1CCc2c(sc3nc(SCCn4nc5ccccn5c4=O)n(C[C@@H]4CCCO4)c(=O)c23)C1,C45705504_decoy,ITAL,Decoy,0,-7.99396,-7.26,-2.29,-6.698601079772623
C[C@H]1CCc2c(sc3nc(SCCn4nc5ccccn5c4=O)n(C[C@@H]4CCCO4)c(=O)c23)C1,C45705510_decoy,ITAL,Decoy,0,-8.59588,-6.53,-2.63,-8.023979855365912
CCOc1cc([C@H]2N(c3ccc(C)cc3)N=C(C(C)=O)N(C)N2C(C)=O)ccc1OCc1ccccc1,C59058196_decoy,ITAL,Decoy,0,-7.92969,-5.36,-3.5,-5.666837180223297
COc1ccc(CCN2COc3ccc4c(c3C2)O/C(=C\c2cc(OC)c(OC)c(OC)c2)C4=O)cc1,C41654265_decoy,ITAL,Decoy,0,-8.07175,-4.89,-2.03,-5.563305361121124
COc1cc(OC)c(OC)cc1/C=C1\Oc2c(ccc3c2CN(CCc2ccccc2OC)CO3)C1=O,C41657285_decoy,ITAL,Decoy,0,-8.38654,-7.36,-2.6,-7.896095482193759
CCOC(=O)c1oc2ccc(Br)cc2c1COC(=O)[C@H](C)N1C(=O)[C@H]2CCCC[C@H]2C1=O,C13098652_decoy,ITAL,Decoy,0,-7.47285,-8.21,-1.97,-9.308789042437542
CC[C@H](Oc1ccccc1)C(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4F)sc3n2)CC1,C35535484_decoy,ITAL,Decoy,0,-8.67455,-7.93,-3.83,-7.100839190131737
CCOC(=O)Cn1c2c(sc1=O)[C@H](c1ccc(OC)cc1)[C@H]1C(=O)N(c3ccccc3)C(=O)[C@@H]1S2,C15087330_decoy,ITAL,Decoy,0,-9.41407,-4.52,-2.44,-5.852871273060881
Cc1ccc(OS(=O)(=O)c2cccc(C(=O)Nc3ccccc3)c2)c(-n2nc3ccccc3n2)c1,C02059411_decoy,ITAL,Decoy,0,-8.94034,-10.14,-2.61,-9.033120135645792
CC(C)(C)c1ccc(NC(=O)Cn2cnc3scc(-c4ccc([N+](=O)[O-])cc4)c3c2=O)cc1,C09004928_decoy,ITAL,Decoy,0,-6.82737,-7.67,-3.25,-6.283069716925513
Cc1cc(Br)cc(C)c1OCC(=O)N/N=C/c1cccn1-c1ccc([N+](=O)[O-])cc1,C08986546_decoy,ITAL,Decoy,0,-7.22683,-7.32,-2.15,-5.967081674971386
COc1ccc([C@H]2c3ccc(O)cc3Oc3ncn4nc(COc5cccc(C)c5C)nc4c32)cc1,C09209829_decoy,ITAL,Decoy,0,-7.64928,-6.82,-4.33,-6.275163936802128
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccc(F)cc1)Nc1cc([N+](=O)[O-])ccc1F,C09093842_decoy,ITAL,Decoy,0,-8.23884,-9.28,-1.92,-10.424446679466824
O=c1oc2ccc(Br)cc2cc1-c1cnc(N/N=C/c2ccc([N+](=O)[O-])cc2)s1,C09553363_decoy,ITAL,Decoy,0,-7.73915,-7.97,-3.8,-6.387577470724995
CC(C)c1ccc(S(=O)(=O)c2nnn3c2nc(NCc2ccco2)c2sccc23)cc1,C09969223_decoy,ITAL,Decoy,0,-8.55115,-8.26,-1.48,-10.983486710892958
COc1ccc(Nc2nc3c(S(=O)(=O)c4ccccc4)nnn3c3ccsc23)cc1Cl,C09971129_decoy,ITAL,Decoy,0,-8.40605,-7.93,-1.54,-7.31870335288898
Cc1ccc(C)c(NC[C@H](C)Cn2c(=O)c3c(nc4n(-c5ccccc5)c(C)cn34)n(C)c2=O)c1,C10048322_decoy,ITAL,Decoy,0,-8.23623,-8.66,-3.04,-8.245936592575609
Cc1cccc(NCCCn2c(=O)c3c(nc4n(-c5cccc(C)c5)c(C)c(C)n34)n(C)c2=O)c1,C10048718_decoy,ITAL,Decoy,0,-6.65024,-6.89,-1.67,-5.380605974281227
Cc1cccc(NCCCn2c(=O)c3c(nc4n(-c5cccc(C)c5C)c(C)cn34)n(C)c2=O)c1,C10048762_decoy,ITAL,Decoy,0,-6.98801,-6.01,-3.17,-5.340741926395961
Cc1ccc(C)c(NCCCn2c(=O)c3c(nc4n(-c5ccc(F)cc5)c(C)c(C)n34)n(C)c2=O)c1,C10048993_decoy,ITAL,Decoy,0,-7.09724,-8.79,-1.6,-6.919846082479821
O=C(CCc1nc(-c2ccco2)no1)Nc1ccc(-c2nc3ccccc3n2C(F)F)cc1,C12525583_decoy,ITAL,Decoy,0,-7.93102,-5.7,-4.14,-4.828646824516744
Cc1ccc(S(=O)(=O)N2CCN(c3ccc([N+](=O)[O-])c(N[C@H](C)c4ccccc4)c3)CC2)cc1,C09680334_decoy,ITAL,Decoy,0,-8.49091,-6.08,-2.19,-6.020832672209999
Cc1cc2nc(COC(=O)c3cccc(NC(=O)C45CC6CC(CC(C6)C4)C5)c3)cc(=O)n2o1,C13370370_decoy,ITAL,Decoy,0,-7.94407,-8.28,-3.35,-6.861547889220688
Cc1c(CCC(=O)Nc2ccc(Cn3cncn3)cc2)c(=O)oc2cc3occ(C(C)(C)C)c3cc12,C13625223_decoy,ITAL,Decoy,0,-7.88407,-7.13,-4.45,-6.670515607839425
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCc3ccco3)c(Oc3ccc(C(C)(C)C)cc3)nc12,C13777784_decoy,ITAL,Decoy,0,-8.68621,-5.9,-4.42,-6.29235290391684
COC(=O)c1ccc(C(=O)OC)c(NC(=O)c2cc(-c3ccccn3)nc3c(C)c(C)ccc23)c1,C01074176_decoy,ITAL,Decoy,0,-8.32051,-5.88,-1.49,-5.17715829049253
O=C1CCCC2=C1[C@@H](c1ccc([N+](=O)[O-])cc1)n1nc(SCc3ccc(F)cc3Cl)nc1N2,C20133938_decoy,ITAL,Decoy,0,-9.54096,-9.85,-1.82,-8.981781783893693
COCc1cc(C)nc2sc3c(c12)N[C@@H](c1ccc([N+](=O)[O-])cc1)N(Cc1ccccc1)C3=O,C20446509_decoy,ITAL,Decoy,0,-9.10339,-4.75,-2.22,-5.178793363713009
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3cccc(F)c3)nn1[C@H]2c1cccc([N+](=O)[O-])c1,C20850725_decoy,ITAL,Decoy,0,-8.65506,-9.43,-1.59,-9.470943391820915
CCOC(=O)C1=C(C)N(CC(=O)Nc2ccc(C)c(Cl)c2)c2ncnn2[C@H]1c1ccc(C)cc1,C21350773_decoy,ITAL,Decoy,0,-8.38893,-8.02,-2.72,-7.7039712619642335
O=C(Nc1ccccc1)c1nnc(/C(Cl)=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Cl)o2)s1,C22608400_decoy,ITAL,Decoy,0,-7.70224,-7.59,-2.53,-5.805228565189011
CCn1nccc1/C=c1/sc2n(c1=O)[C@@H](c1ccc(C)o1)C(C(=O)Nc1ccccc1C)=C(C)N=2,C22745555_decoy,ITAL,Decoy,0,-8.60569,-8.86,-1.77,-7.913186245511776
Cc1ccc(-n2cnnc2S[C@H](C)C(=O)Nc2cc([N+](=O)[O-])ccc2Cl)cc1Cl,C24971758_decoy,ITAL,Decoy,0,-8.12028,-8.0,-3.41,-8.76287269968586
CCOc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccc(F)cc2)n2nnnc2N3)cc1OC,C28055378_decoy,ITAL,Decoy,0,-7.3856,-8.8,-1.56,-7.40996445276558
CCc1ccc([C@@H]2Oc3ccccc3C3=C2[C@@H](c2cc(OC)ccc2OC)n2nnnc2N3)cc1,C28059057_decoy,ITAL,Decoy,0,-8.52865,-5.74,,99.0
CCc1ccc([C@H]2c3cccn3-c3c(c(C)nn3-c3ccccc3)CN2C(=O)NCC(=O)OC)cc1,C32977700_decoy,ITAL,Decoy,0,-8.06007,-4.17,-2.76,-5.148079607296834
Cc1ccc(C)c(NC(=O)Cn2cc(-c3nc(-c4ccccc4C)no3)c(=O)c3ccc(C)nc32)c1,C33284075_decoy,ITAL,Decoy,0,-8.03986,-5.84,-2.3,-5.656459894006889
Cc1ccc(-c2noc(-c3cn(CC(=O)Nc4cccc(C)c4C)c4nc(C)ccc4c3=O)n2)cc1,C33284265_decoy,ITAL,Decoy,0,-6.48158,-9.0,-3.73,-5.400641322629035
COc1ccc(NN(c2nc(-n3nc(C)cc3C)nc3sc4c(c23)CCCC4)N(C)C)cc1,C34786457_decoy,ITAL,Decoy,0,-10.0624,-7.99,-2.55,-9.101871690164952
COc1cc([C@H]2Oc3ccccc3C3=C2[C@H](c2ccc(C)cc2)N2N=CNC2=N3)cc(OC)c1OC,C02344343_decoy,ITAL,Decoy,0,-7.50685,-5.03,-2.73,-5.3161847092229335
COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2ccccc2O[C@@H]3c2cc(OC)ccc2OC)cc1,C09344452_decoy,ITAL,Decoy,0,-8.17266,-4.62,-2.88,-5.243534820004774
COc1cccc(NC(=O)c2nnn(-c3ccc(C)cc3)c2CSc2nc(C)cc(C)n2)c1,C38491230_decoy,ITAL,Decoy,0,-9.12459,-9.1,-1.65,-11.509499921971688
COc1ccc(-n2nnc(C(=O)Nc3cc(C)cc(C)c3)c2CSc2nc(C)cc(C)n2)cc1,C38491688_decoy,ITAL,Decoy,0,-8.84788,-9.22,-2.52,-9.158247406650052
COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cccc(C)c3)nc3c(C)cccn3c2=O)c1,C39858634_decoy,ITAL,Decoy,0,-6.66157,-9.4,-1.88,-7.660337393956109
COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3cc(C)cc(C)c3)nc3ccccn3c2=O)c1,C39858772_decoy,ITAL,Decoy,0,-8.08534,-9.33,-3.25,-8.307880891440588
COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3ccc(C)cc3)nc3c(C)cccn3c2=O)c1,C39992846_decoy,ITAL,Decoy,0,-8.0823,-9.56,-2.71,-8.185843666012767
COc1cccc(NC(=O)/C(C#N)=C/c2c(Oc3cc(C)cc(C)c3)nc3c(C)cccn3c2=O)c1,C39993054_decoy,ITAL,Decoy,0,-7.81479,-8.24,-1.85,-7.036298106792442
O=C(Nc1ccc([N+](=O)[O-])cc1Cl)c1ccc(S(=O)(=O)c2ccc(Br)cc2)o1,C40322929_decoy,ITAL,Decoy,0,-8.23187,-7.7,,99.0
O=[N+]([O-])c1c(Nc2ccc(Br)cn2)ncnc1Oc1ccc(Br)cc1,C40647468_decoy,ITAL,Decoy,0,-7.00822,-5.04,-2.15,-5.805842065277966
O=[N+]([O-])c1c(Nc2ccccc2Br)ncnc1N1CCN(c2ccc(F)cc2)CC1,C40648312_decoy,ITAL,Decoy,0,-7.60541,-5.05,-2.49,-4.522442510150585
COC(=O)c1ccc(OC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc(C)cc2)CCC3)cc1,C40804551_decoy,ITAL,Decoy,0,-7.98507,-6.15,-1.5,-5.755066128511715
Cc1ccnn1-c1cc(Oc2ccc(C(=O)Nc3ccc(Oc4ccccc4)cc3)cc2)ncn1,C40855314_decoy,ITAL,Decoy,0,-7.22287,-8.03,-1.85,-5.809898420488296
CC(C)c1ccc(N/C=C(\C#N)c2nc(-c3cc4cc([N+](=O)[O-])ccc4oc3=O)cs2)cc1,C09065499_decoy,ITAL,Decoy,0,-7.2482,-7.5,-2.02,-4.852271905783135
CCC[C@@H]1CCc2nc(NC(=O)C3CCN(c4oc(-c5ccco5)nc4C#N)CC3)sc2C1,C60309266_decoy,ITAL,Decoy,0,-9.47699,-7.48,-2.32,-6.68599601453273
Cc1ccc(-n2c(S[C@H](C)C(=O)Nc3ccccc3[N+](=O)[O-])nnc2-c2ccccc2)cc1,C11196663_decoy,ITAL,Decoy,0,-7.63607,-6.01,-3.11,-5.503078689921318
Cc1ccc(C2=C3C(=O)N=C(SCC(=O)Nc4cccc([N+](=O)[O-])c4)N=C3SC2)cc1C,C39781293_decoy,ITAL,Decoy,0,-6.3859,-5.21,-2.15,-4.669529877910711
Cc1ccc(C2=C[C@@H](c3ccc(C)cc3)n3nnnc3N2CC(=O)Nc2ccc(N(C)C)cc2)cc1,C64793321_decoy,ITAL,Decoy,0,-7.98638,-5.9,,99.0
COc1cc(/C=N/Nc2nnc3c4ccccc4n(C)c3n2)ccc1OCc1ccccc1C,C64981476_decoy,ITAL,Decoy,0,-7.97942,-5.16,-4.17,-4.677660528501694
CC[C@H](C(=O)[O-])N1C(=O)/C(=C\c2ccc(-c3ccc(OC)cc3[N+](=O)[O-])o2)SC1=S,C08818987_decoy,ITAL,Decoy,0,-7.55718,-7.62,-1.79,-7.274773391680607
COc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](CC(C)C)C(=O)[O-])C3=O)o2)c([N+](=O)[O-])c1,C13073921_decoy,ITAL,Decoy,0,-6.23254,-5.21,-4.59,-4.431540561262573
COC(=O)c1ccc(-n2c(C)cc(C(=O)COc3cc(C(=O)[O-])ccc3[N+](=O)[O-])c2C)cc1,C13187975_decoy,ITAL,Decoy,0,-5.79323,-6.26,-1.5,-5.894250392871824
COc1ccc(-c2nnc(SCc3nc(-c4ccc(Cl)cc4)no3)n2CC(=O)[O-])cc1,C13201396_decoy,ITAL,Decoy,0,-6.75211,-5.12,-2.0,-4.647366087079322
Cc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4cc(C)on4)c3C)n2CC(=O)[O-])cc1,C13205730_decoy,ITAL,Decoy,0,-7.34052,-7.06,-2.33,-6.510056159500748
COc1ccc(-c2cc([N+](=O)[O-])ccc2OS(=O)(=O)c2ccc(CC(=O)[O-])s2)cc1,C13315339_decoy,ITAL,Decoy,0,-8.04523,-8.29,-3.58,-8.712601702920777
Cc1cc(S(=O)(=O)Oc2ccc(-c3nc(CC(=O)[O-])cs3)cc2)cc([N+](=O)[O-])c1C,C13463750_decoy,ITAL,Decoy,0,-6.43188,-8.08,-2.48,-8.916963104394329
CCCN1C(=O)/C(=C\c2ccc(O[C@@H](C)C(=O)[O-])c(OC)c2)S/C1=N\c1nnc(CC)s1,C16914915_decoy,ITAL,Decoy,0,-7.57901,-6.68,-1.48,-6.941505139796867
CCCN1C(=O)/C(=C\c2ccc(OCC(=O)[O-])c(OC)c2)S/C1=N\c1nnc(C)s1,C16915592_decoy,ITAL,Decoy,0,-7.3067,-6.18,-1.95,-7.247834335346154
CCOc1cc(/C=C2\C(=O)N(c3ccccc3)C(=O)N=C2[O-])ccc1OCc1ccc([N+](=O)[O-])cc1,C16677448_decoy,ITAL,Decoy,0,-7.52416,-8.74,-2.74,-7.523867981734009
CCOc1ccc(N2C(=O)N=C([O-])/C(=C/c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1,C15723344_decoy,ITAL,Decoy,0,-7.29038,-8.1,-1.47,-8.714784126823588
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2[O-])o1,C01206136_decoy,ITAL,Decoy,0,-7.88067,-5.74,-1.33,-4.998306398514863
O=C(Oc1ccc(/C=C2\C(=O)N(c3ccccc3)C(=S)N=C2[O-])cc1)c1cccc([N+](=O)[O-])c1,C15822286_decoy,ITAL,Decoy,0,-7.85014,-7.41,-3.26,-5.972715783537181
COc1ccc([N+](=O)[O-])cc1-n1c(C)cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=O)N=C2[O-])c1C,C09246618_decoy,ITAL,Decoy,0,-5.73461,-7.72,-1.95,-4.290844098400113
O=C(C1=C([O-])C(=O)N(c2nccs2)[C@@H]1c1ccccc1[N+](=O)[O-])c1ccc([N+](=O)[O-])cc1,C09068703_decoy,ITAL,Decoy,0,-5.66589,-8.04,-2.58,-6.620525578931426
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@H]2c2ccc(OC)cc2)nc1C,C08738112_decoy,ITAL,Decoy,0,-8.30328,-7.31,-1.44,-8.523203366833553
COc1ccc([C@@H]2C(C(=O)c3ccc([N+](=O)[O-])cc3)=C([O-])C(=O)N2c2ccccc2)c(OC)c1,C09379673_decoy,ITAL,Decoy,0,-6.47219,-4.96,-2.53,-5.184269945581287
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@H]2c2ccc([N+](=O)[O-])cc2)cc1,C09234700_decoy,ITAL,Decoy,0,-8.35452,-8.3,-2.26,-11.487925096615566
COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4ccccc4C)C(=O)N=C3[O-])c2C)c([N+](=O)[O-])c1,C01136994_decoy,ITAL,Decoy,0,-7.39364,-8.18,-1.88,-6.90924975259905
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC)c(C)c3)[C@H]2c2ccco2)nc1C,C09271173_decoy,ITAL,Decoy,0,-8.25664,-6.74,,99.0
CCOc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(OC)cc4)C(=O)N=C3[O-])o2)c([N+](=O)[O-])c1,C20238505_decoy,ITAL,Decoy,0,-7.82033,-7.06,-2.35,-6.3848446473721525
CCOc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccccc4)C(=O)N=C3[O-])o2)c([N+](=O)[O-])c1,C20238520_decoy,ITAL,Decoy,0,-6.7233,-8.13,-1.89,-6.513483766251379
C[C@@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1,C09331258_decoy,ITAL,Decoy,0,-8.5574,-8.32,-3.04,-7.544126008187868
CCc1ccccc1-n1c([S-])nnc1CSc1nnc(-c2ccn(C)n2)n1C[C@H]1CCCO1,C02793338_decoy,ITAL,Decoy,0,-8.46103,-9.21,-2.64,-8.792623820966613
C[C@H](OC(=O)c1ccccc1[N-]S(=O)(=O)c1cccc([N+](=O)[O-])c1)c1nnc(-c2ccccc2)o1,C22611282_decoy,ITAL,Decoy,0,-8.71814,-5.8,-2.98,-6.275050814902502
COc1ccc(-c2csc(/N=C([O-])/C(=C/c3ccco3)n3nnnc3-c3ccccc3)n2)cc1,C23118979_decoy,ITAL,Decoy,0,-9.37043,-9.55,-2.98,-9.33423034296219
CCOC(=O)c1ccc(S(=O)(=O)[N-]c2ccc3nc(C)n(-c4ccc(OC)cc4)c(=O)c3c2)cc1,C23143978_decoy,ITAL,Decoy,0,-7.53408,-6.85,-1.48,-6.203623906239877
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2cc(-c3nnc4n3CCCCC4)c(F)cc2F)cc1,C29876549_decoy,ITAL,Decoy,0,-8.40572,-8.66,-3.41,-9.241650714484363
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(C[C@@H]4CCCO4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2O1,C35024968_decoy,ITAL,Decoy,0,-7.49408,-8.03,-1.45,-7.690935338626267
Cc1cccn2c(C)c(C(=O)C3=C([O-])C(=O)N(Cc4ccco4)[C@H]3c3cccc([N+](=O)[O-])c3)nc12,C35484622_decoy,ITAL,Decoy,0,-7.15952,-5.36,-2.72,-5.074969573191198
COC(=O)c1ccc([C@@H]2C(C(=O)c3ccc(OC(C)C)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1,C04014365_decoy,ITAL,Decoy,0,-7.81179,-4.28,-2.89,-5.380632207572729
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(C[C@H]3CCCO3)[C@@H]2c2ccc([N+](=O)[O-])cc2)cc1,C38241533_decoy,ITAL,Decoy,0,-7.81502,-8.91,-1.36,-9.47446432351418
COc1ccc(CCn2c([O-])c(/N=N/c3ccccc3[N+](=O)[O-])c(C)c(C#N)c2=O)cc1OC,C39870430_decoy,ITAL,Decoy,0,-6.36798,-5.91,-1.85,-6.023375049751007
COc1cc(/C=C2/C(=O)N(Cc3ccco3)C(=O)N=C2[O-])ccc1OCCOc1cc(C)ccc1C,C41076797_decoy,ITAL,Decoy,0,-7.04962,-6.74,-3.51,-5.899057824451713
CCOC(=O)c1ccc(-c2ccc(/C=C3/C(=O)N(c4ccc(OC)cc4)C(=O)N=C3[O-])o2)cc1,C17045885_decoy,ITAL,Decoy,0,-7.67614,-7.25,-2.07,-6.081167342247771
CCOc1ccc(N2C(=O)N=C([O-])/C(=C\c3ccc(-c4ccccc4[N+](=O)[O-])o3)C2=O)cc1,C08771974_decoy,ITAL,Decoy,0,-6.70741,-8.27,-2.35,-8.677455321278535
COc1ccc(N2C(=O)N=C([O-])/C(=C/c3ccc(-c4cc([N+](=O)[O-])ccc4C)o3)C2=O)cc1,C17045034_decoy,ITAL,Decoy,0,-6.86959,-8.9,-1.87,-10.05714148573454
CCN(CC)S(=O)(=O)c1cc(C)c(C)c([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2C)c1,C30530241_decoy,ITAL,Decoy,0,-6.22621,-7.92,-3.27,-9.099918780842302
CCOc1ccc(OCC)c(N2C(=O)N=C([O-])/C(=C\c3cc(OC)c(OC)c(OC)c3)C2=O)c1,C59105016_decoy,ITAL,Decoy,0,-7.04111,-7.46,,99.0
O=[N+]([O-])c1ccc(S(=O)(=O)[N-]c2ccc(S(=O)(=O)N3CCCc4ccccc43)cc2)cc1,C59297587_decoy,ITAL,Decoy,0,-7.57883,-7.78,-2.19,-6.57367736308411
CCOc1cc(/C=C2/S/C(=N/c3ccc(C(=O)[O-])cc3)N(C)C2=O)ccc1OCC(=O)OC,C59598561_decoy,ITAL,Decoy,0,-7.63227,-6.72,-4.04,-6.444855628132111
CCOc1cc(/C=C2/S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCC(=O)OC,C59599630_decoy,ITAL,Decoy,0,-7.86384,-6.78,-3.32,-6.507775954099307
Cc1cccc([N+](=O)[O-])c1S(=O)(=O)[N-]c1ccc(S(=O)(=O)N2CCC[C@@H](C)C2)cc1,C59769770_decoy,ITAL,Decoy,0,-7.09389,-7.75,-2.02,-9.452165070853283
COc1ccc(N2C(=O)N=C([O-])/C(=C/c3cc(OC)c(OCCC(C)C)cc3[N+](=O)[O-])C2=O)cc1,C59861050_decoy,ITAL,Decoy,0,-7.30085,-5.13,-2.55,-5.482427387455941
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2[O-])o1,C13546422_decoy,ITAL,Decoy,0,-7.15567,-5.57,-2.35,-5.39151364125656
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@@H](c3ccncc3)[C@H]12,C39749302_decoy,ITAL,Decoy,0,-7.03107,-7.42,-1.63,-7.66613485764307
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@@H](c3cccnc3)[C@H]12,C39749312_decoy,ITAL,Decoy,0,-8.39213,-8.5,-2.9,-8.033568024235466
CO/C([O-])=C1/C(C)=NC(C)=C(C(=O)OC[C@@H]2CCCO2)[C@H]1c1ccc(Cl)c([N+](=O)[O-])c1,C00629018_decoy,ITAL,Decoy,0,-7.70632,-7.55,-2.17,-8.190252460392495
CCOC(=O)C1=C(C)N=C(C)/C(=C(/[O-])OCC)[C@@H]1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C,C17529862_decoy1,ITAL,Decoy,0,-7.12337,-7.86,,-7.880173080204315
CCOC(=O)C1=C(C)N=C(C)/C(=C(/[O-])OCC)[C@H]1C(=O)OCC(=O)N1c2ccccc2C[C@H]1C,C17529862_decoy2,ITAL,Decoy,0,-8.16056,-7.55,,-7.830671654677194
O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1,C01518334_decoy,ITAL,Decoy,0,-7.98011,-7.55,-2.26,-6.625656432569535
C#CCOc1ccc(/C=C2\SC(=O)N(CC(=O)Nc3ccccc3F)C2=O)cc1Br,C02892044_decoy,ITAL,Decoy,0,-8.97316,-7.19,-3.05,-7.450371248860765
C=CCOc1ccc(/C=C2/C(=O)NC(=O)N(c3ccc(F)cc3)C2=O)cc1I,C02969885_decoy,ITAL,Decoy,0,-8.198,-8.34,-1.41,-7.869287271982193
O=C(Nc1ccc(F)c(F)c1)c1ccc(F)c(S(=O)(=O)N2CCN(c3ccccc3F)CC2)c1,C03031096_decoy,ITAL,Decoy,0,-8.86535,-9.36,-4.33,-7.475939628537513
O=C(CSc1nnc(-c2ccc(F)cc2)n1C[C@@H]1CCCO1)Nc1ccccc1Br,C09536576_decoy,ITAL,Decoy,0,-8.84847,-8.98,-1.92,-11.66984972654135
O=c1[nH]c(CSc2nnc(C3CC3)n2C2CC2)nc2c(Br)cc(Br)cc12,C09832094_decoy,ITAL,Decoy,0,-8.42032,-5.15,-2.0,-5.043321289636932
Cc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C)c(C)c1)cn2CC(=O)Nc1ccc(Cl)cc1,C09856804_decoy,ITAL,Decoy,0,-7.69452,-9.93,-1.48,-8.17488105628386
CCc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3cc(F)ccc32)cc1,C09857037_decoy,ITAL,Decoy,0,-7.81645,-5.78,-2.12,-5.428957030060389
O=C(COC(=O)[C@]12CCC(=O)N1c1ccccc1S2)Nc1cccc(I)c1,C10667846_decoy,ITAL,Decoy,0,-8.11076,-4.75,-2.54,-5.120875033469309
O=C(CSc1ncnc2scc(-c3ccccc3)c12)Nc1ccc(S(=O)(=O)C(F)F)cc1,C11976666_decoy,ITAL,Decoy,0,-7.99488,-7.1,-1.66,-8.050314753234813
Cc1c(C#N)c(NC(=O)COC(=O)c2ccccc2I)n(C2CCCC2)c1C,C12258994_decoy,ITAL,Decoy,0,-8.22218,-7.97,-2.8,-8.022639572308044
O=C(CSc1nc(-c2ccc(Br)cc2)nc2ccccc12)N[C@H]1CCS(=O)(=O)C1,C12549942_decoy,ITAL,Decoy,0,-7.81825,-5.8,-1.95,-5.18429841128232
Cc1ccc(NC(=O)Cn2cc(S(=O)(=O)c3ccc(Cl)cc3)c(=O)c3cc(C)ccc32)c(C)c1,C02691055_decoy,ITAL,Decoy,0,-8.1178,-9.53,,99.0
Cc1ccc(C)c(NC(=O)Cn2cc(S(=O)(=O)c3ccc(C)c(C)c3)c(=O)c3cc(F)ccc32)c1,C02715906_decoy,ITAL,Decoy,0,-7.11825,-5.31,-3.3,-4.621429983755631
Cc1cc(C)c(S(=O)(=O)N2CSC[C@@H]2C(=O)NCc2csc(-c3cccs3)n2)cc1C,C13354781_decoy,ITAL,Decoy,0,-9.22535,-8.32,-3.9,-9.111719386110536
C[C@H]1C[C@H](C)CN(S(=O)(=O)c2ccc(NS(=O)(=O)c3ccc(Br)s3)cc2)C1,C13949276_decoy,ITAL,Decoy,0,-8.49705,-7.26,-1.78,-6.958533625890734
Cc1ccc2c(c1)S[C@@H](C(=O)NCCN1C(=O)S/C(=C\c3ccc(OC(F)F)cc3)C1=O)C2,C14042970_decoy,ITAL,Decoy,0,-7.11255,-7.31,-2.42,-6.092848507805235
O=C(Nc1ccc(F)c(F)c1F)c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1,C15003171_decoy,ITAL,Decoy,0,-8.49901,-8.89,-3.43,-8.021977104141405
COc1ccc(/C=C2/SC(=S)N(CCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1OC,C15799680_decoy,ITAL,Decoy,0,-7.51096,-8.72,-3.0,-6.838015491586533
C[C@@H](NC(=O)C[S@@+]([O-])Cc1cnn(-c2ccccc2)c1-n1cccc1)C12CC3CC(CC(C3)C1)C2,C15822786_decoy,ITAL,Decoy,0,-8.51025,-8.74,-3.67,-10.203801838519825
COCc1c(C(=O)NCCN2C(=O)S/C(=C\c3ccccc3F)C2=O)sc2cccc(F)c12,C17344524_decoy,ITAL,Decoy,0,-8.17823,-8.29,-1.41,-11.80303204682344
O=C(COc1ccc(F)cc1)N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl,C20113997_decoy,ITAL,Decoy,0,-8.85576,-7.48,-4.0,-7.50227961783323
O=c1c2c3c(sc2ncn1C1Cc2ccccc2C1)C[C@@H](NCc1ccc(-n2cccn2)cc1)CC3,C20118676_decoy,ITAL,Decoy,0,-8.17862,-7.94,-1.47,-7.710129407988374
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)N(C)Cc4ccccc4)cc3[C@@H]3C=CC[C@@H]23)cc1OC,C20714996_decoy,ITAL,Decoy,0,-8.27652,-5.71,-3.75,-5.97983585434556
O=C(CSc1nc2ccccc2c(=O)n1C[C@@H]1CCCO1)Nc1ccc(Br)cc1F,C21455710_decoy,ITAL,Decoy,0,-8.10428,-8.88,-2.24,-8.324331876611213
Cc1ccc2c(c1)[C@H](NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O)CC(C)(C)O2,C22364963_decoy,ITAL,Decoy,0,-7.97269,-7.1,-3.11,-7.184211104704448
COc1ccc(CN(C)Cc2nc3c(Br)cc(Br)cc3c(=O)[nH]2)cc1OC,C23777732_decoy,ITAL,Decoy,0,-7.02766,-7.36,-0.69,-6.6384230478265644
Brc1ccc(-c2csc3ncnc(NC[C@@H]([C@@H]4CCOC4)N4CCOCC4)c23)cc1,C12858175_decoy,ITAL,Decoy,0,-8.09325,-4.39,-1.46,-5.393972004614925
Cn1ccnc1[C@H](NC(=O)CSc1ncnc2scc(-c3ccc(F)cc3)c12)c1ccccc1,C24959760_decoy,ITAL,Decoy,0,-8.18602,-5.42,-1.85,-5.856143461335474
CCCN1C[C@@H](C[C@@H](C)NC(=O)[C@@H]2CC(=O)O[C@@]23CCOC(C)(C)C3)c2cc(Br)ccc21,C27690289_decoy,ITAL,Decoy,0,-9.56198,-8.94,-1.97,-12.090101400202746
O=C(C[C@H]1SC(N2N=C(c3ccc(F)cc3)C[C@@H]2c2ccccc2)=NC1=O)Nc1ccccc1F,C28156692_decoy,ITAL,Decoy,0,-8.30808,-10.43,-1.49,-8.049270018881213
COc1ccc(C(=O)Nc2ccccc2Br)cc1S(=O)(=O)N(C)Cc1ccccc1,C28467149_decoy,ITAL,Decoy,0,-8.86585,-7.91,-2.48,-9.61147064036817
Cc1ccc(C)c(N2C(SCC(=O)Nc3ccc(Br)cc3)=N[C@@H]3CS(=O)(=O)C[C@@H]32)c1,C32640204_decoy,ITAL,Decoy,0,-8.98457,-9.45,-2.42,-8.586068867931461
Cn1c(SCC(=O)Nc2ccc(F)cc2Cl)nc2c(sc(=S)n2-c2ccccc2)c1=O,C32952646_decoy,ITAL,Decoy,0,-8.53577,-8.49,-3.08,-8.291971690089056
CN(c1cccc(F)c1)S(=O)(=O)c1c(-c2ccc(F)cc2)csc1C(=O)NCc1ccco1,C32984593_decoy,ITAL,Decoy,0,-7.63708,-7.96,-1.35,-7.936962090268732
CNC(=O)[C@@H]1Cc2ccccc2CN1Cn1nc(-c2ccc(F)cc2)n(-c2ccc(F)cc2)c1=S,C12562478_decoy,ITAL,Decoy,0,-8.54137,-8.49,-1.44,-7.642061934645299
CCn1c(SCC(=O)Nc2nc3ccc(F)cc3s2)nc2ccc(Br)cc2c1=O,C36833759_decoy,ITAL,Decoy,0,-8.38128,-5.29,,99.0
CN(C(=O)Cn1c(CCNC(=O)c2cccc(Br)c2)nc2ccccc21)c1ccccc1,C40201297_decoy,ITAL,Decoy,0,-8.39688,-8.6,-2.86,-10.358479263340756
[H]/N=C1C(=C/c2cc(C)n(-c3ccc([C@H](C)CC)cc3)c2C)/C(=O)N=C2SC(C3CCCCC3)=NN2/1,C41076342_decoy,ITAL,Decoy,0,-7.56078,-7.14,-3.06,-7.8459922589532916
O=C(COc1ccc(F)cc1)N[C@H](N1C[C@H]2C[C@@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl,C43740587_decoy,ITAL,Decoy,0,-7.78885,-8.08,-3.07,-7.964541738325753
C[C@@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@@]4(C)[C@]3(Cl)[C@@H](O)C[C@@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,C44491440_decoy,ITAL,Decoy,0,-7.99291,-7.5,-2.85,-10.30033063376077
COc1ccc([C@@H](C)NC(=O)CN(c2ccc(I)cc2)S(C)(=O)=O)cc1,C44848057_decoy,ITAL,Decoy,0,-6.83923,-7.01,-2.02,-6.584802585311549
C[C@H]1C[C@@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(Cl)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)CCl,C44963886_decoy,ITAL,Decoy,0,-9.59029,-8.19,-2.7,-9.61126772753155
[H]/N=C1C(=C/c2cn(CCCOc3cc(C)c(Cl)c(C)c3)c3ccccc23)/C(=O)N=C2SC=CN2/1,C27572647_decoy,ITAL,Decoy,0,-8.63402,-8.78,-3.83,-7.352379091966014
[H]/N=C1C(=C\c2cc(C)n(-c3ccccc3Cl)c2C)/C(=O)N=C2SC(CCC3CCCCC3)=NN2/1,C09292046_decoy,ITAL,Decoy,0,-8.42502,-6.1,-2.94,-6.311764008604647
O=C(CSCc1ccc(Cl)c(Cl)c1)Nc1nnc(CS(=O)(=O)c2ccccc2)s1,C59345936_decoy,ITAL,Decoy,0,-8.26757,-8.28,-3.27,-8.320083646940565
O=C(NCCCc1nc(-c2ccncc2)cs1)c1cnn(-c2ccc(Cl)cc2)c1C(F)(F)F,C62626379_decoy,ITAL,Decoy,0,-8.42392,-7.8,-2.2,-8.508079743218547
CC1=C2C(=O)N=C(CS[C@@H](C)C(=O)Nc3nc(-c4ccc(Cl)cc4)cs3)N=C2S[C@H]1C,C39943242_decoy,ITAL,Decoy,0,-8.84307,-6.62,-2.23,-6.2832358164949405
CN(CC(=O)Nc1ccc(Br)cc1F)S(=O)(=O)C1=CC2=C3CCCCC3=N[C@@H]2C=C1,C63558399_decoy,ITAL,Decoy,0,-9.44982,-6.22,-1.39,-6.507815731073357
Cc1cc(C)n(CC(=O)Nc2ccc(Br)cc2F)c(=O)c1S(=O)(=O)c1ccccc1,C64838466_decoy,ITAL,Decoy,0,-7.78504,-5.05,-1.63,-5.339800977700041
O=c1[nH]c2cc3c(cc2cc1CN(CCc1ccccc1)S(=O)(=O)c1ccccc1Cl)OCCO3,C01222221_decoy,ITAL,Decoy,0,-9.0686,-10.05,-2.11,-10.142701320328392
CCOc1ccc2nc(NC(=O)[C@@H]3Cc4ccccc4CN3S(=O)(=O)c3ccc(C)cc3)sc2c1,C03192326_decoy,ITAL,Decoy,0,-9.17907,-5.51,-2.73,-6.237933923326396
CCOC(=O)C1=C[C@]2(SC=C(C(=O)OCC)S2)C2=C(S1)C(C)(C)Nc1c(OCC)cccc12,C02060877_decoy,ITAL,Decoy,0,-7.93615,-4.14,-2.69,-4.982707875299461
CCc1ccc2[nH]c(=O)c(CN(Cc3ccccc3)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1,C06197833_decoy,ITAL,Decoy,0,-8.36205,-8.45,-3.52,-9.292309367422984
[H]/N=C1C(=C\c2cn(CCOc3ccc(Cl)c(C)c3)c3ccccc23)/C(=O)N=C2SC(CCC)=NN2/1,C08453482_decoy,ITAL,Decoy,0,-7.58314,-5.89,-2.51,-5.078993070855296
COC(=O)c1ccc(/C=C2\SC(=S)N(CCCC(=O)Nc3cccc(C(F)(F)F)c3)C2=O)cc1,C08819534_decoy,ITAL,Decoy,0,-7.86541,-8.77,-2.33,-7.616369033688291
CN(C)S(=O)(=O)c1ccc(C(=O)Nc2nnc(SCc3ccc(Cl)c(Cl)c3)s2)cc1,C08823324_decoy,ITAL,Decoy,0,-7.5028,-7.84,-4.42,-5.999995771628233
CCc1sc2nc(SCC(=O)N[C@H]3CCS(=O)(=O)C3)n(Cc3ccc(C)cc3)c(=O)c2c1C,C09003951_decoy,ITAL,Decoy,0,-10.2464,-7.22,-1.81,-10.722421743583997
CC1(C)Cc2c(c(-c3ccco3)nc3sc4c(SCC(=O)NCc5ccccc5)ncnc4c23)CO1,C01241634_decoy,ITAL,Decoy,0,-9.29816,-5.43,-2.08,-5.807053543959469
CN(C)c1ccc([C@@H](CNS(=O)(=O)c2ccc(Cl)cc2)S(=O)(=O)c2ccc(Cl)cc2)cc1,C09080753_decoy,ITAL,Decoy,0,-9.61647,-8.04,-2.52,-9.068966052378524
Cc1cc(OCCn2cc(/C=C3/C(=O)NC(=O)N(c4ccc(F)cc4)C3=O)c3ccccc32)ccc1Cl,C02238277_decoy,ITAL,Decoy,0,-8.05145,-8.5,-3.73,-7.720519299260515
C=CCn1c(COc2ccc(C)cc2)nnc1SCC(=O)Nc1c(F)cc(F)cc1Br,C09478718_decoy,ITAL,Decoy,0,-8.97206,-8.41,-1.71,-8.976367370522032
CCn1cc(C(=O)NCCc2ccc(C)cc2)c(=O)c2cc(S(=O)(=O)N3C[C@@H](C)C[C@H](C)C3)ccc21,C09731088_decoy,ITAL,Decoy,0,-7.67409,-7.74,-3.7,-6.222025594282543
CN(C[C@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Br)cccc3s2)cc1,C09832563_decoy,ITAL,Decoy,0,-8.9492,-7.24,-1.88,-9.062227969692184
CCN(Cc1ccccc1)S(=O)(=O)c1ccc(C(=O)Nc2nc(-c3ccc(F)cc3F)cs2)cc1,C12347136_decoy,ITAL,Decoy,0,-8.41708,-8.09,-1.79,-6.867971585173661
Cc1ccc(OCC(=O)Nc2ccc(S(=O)(=O)N(C)Cc3ccccc3)cc2)c(Br)c1,C12493214_decoy,ITAL,Decoy,0,-7.75994,-8.05,-3.41,-9.885546199113502
CCCN(Cc1cccn1Cc1nc(C(=O)Nc2ccc(C)c(C)c2)cs1)C(=O)c1ccc(F)cc1,C16534434_decoy,ITAL,Decoy,0,-8.30102,-8.03,-3.99,-7.546952318632147
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)c3ccccc3F)CC2)C1=O)NCc1ccc(F)cc1,C16612979_decoy,ITAL,Decoy,0,-8.37815,-7.31,-3.05,-6.828151227024918
CCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)Nc1cccc(Br)c1,C16653325_decoy,ITAL,Decoy,0,-7.93111,-7.67,-3.92,-8.26317369508282
Cc1ccc(CN2C(=O)/C(=C/c3c(NCc4ccco4)nc4c(C)cccn4c3=O)SC2=S)cc1,C16713573_decoy,ITAL,Decoy,0,-9.09492,-5.5,,99.0
COc1ccc(CN2C(=O)/C(=C/c3c(NC4CCCCC4)nc4ccccn4c3=O)SC2=S)cc1,C16731606_decoy,ITAL,Decoy,0,-10.6544,-9.51,-2.63,-10.697111294659384
CCSCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(OC)c(OC)c1,C02771906_decoy,ITAL,Decoy,0,-9.47863,-4.23,-1.28,-6.556525184887812
Cc1nc2c(C)cccn2c1C(=O)C1=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]1c1ccc(Br)cc1,C09302194_decoy,ITAL,Decoy,0,-8.95887,-6.97,-2.42,-8.394101880527469
CC1=C(C(=O)OC[C@H]2CCCO2)[C@H](c2cccc(Br)c2)C2=C(C[C@@H](c3ccco3)CC2=O)N1,C20324288_decoy,ITAL,Decoy,0,-8.67899,-5.44,-2.96,-5.718586146855592
CCOc1ccc(-n2c(SCC(=O)Nc3ccccc3)nc3sc4c(c3c2=O)CCN(C)C4)cc1,C20324327_decoy,ITAL,Decoy,0,-8.36285,-6.27,-2.89,-6.121976040840505
COc1ccc2c(c1)CCC[C@@H]2NC(=O)CN(c1ccc(I)cc1)S(C)(=O)=O,C22347845_decoy,ITAL,Decoy,0,-8.43321,-7.39,-4.43,-7.533894049832708
COc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccc(Br)c(C)c1)S(C)(=O)=O)CC(C)(C)O2,C22364983_decoy,ITAL,Decoy,0,-8.62428,-7.82,-3.7,-8.230735149446204
COc1ccc2c(c1)OC(C)(C)C[C@@H]2NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1cccs1,C22426802_decoy,ITAL,Decoy,0,-8.39454,-7.95,-3.43,-7.912419805087709
CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(Br)cc2)cc1C,C24081338_decoy,ITAL,Decoy,0,-8.63888,-8.33,-3.4,-8.492339701810653
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C[C@@H]4CCCO4)C3=O)c(N[C@@H](C)c3ccccc3)nc12,C26503313_decoy,ITAL,Decoy,0,-9.30071,-9.77,-2.06,-12.700093140318646
O=C(C[C@@H]1SC(N2N=C(c3cccs3)C[C@@H]2c2cccs2)=NC1=O)Nc1ccc(F)c(F)c1,C28161953_decoy,ITAL,Decoy,0,-9.93905,-8.66,-1.98,-8.994587215691837
C=CCN1C(=O)/C(=C2\C(=O)N(CC(=O)Nc3cccc(C(F)(F)F)c3)c3ccccc32)SC1=S,C33332615_decoy,ITAL,Decoy,0,-8.92095,-7.61,-1.87,-7.753874996645531
Cc1onc(-c2ccccc2)c1CN(Cc1cnc(-c2ccccc2)[nH]1)C(=O)[C@H]1CC(=O)c2ccccc21,C35453850_decoy,ITAL,Decoy,0,-8.1363,-9.24,-2.71,-8.22266163332556
COCCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@H]1c1cc(Br)c(O)c(OC)c1,C35488021_decoy,ITAL,Decoy,0,-9.82794,-4.72,,99.0
Cc1c(C(=O)C2=C([O-])C(=O)N(CC[NH+](C)C)[C@H]2c2ccc(C(C)C)cc2)sc2nc3ccccc3n12,C35520263_decoy,ITAL,Decoy,0,-8.75993,-8.72,-1.98,-8.451734653080388
CNC(=O)[C@@]1(OCc2cccc(C)c2)C[C@H](OCc2cccc(C(F)(F)F)c2)[C@@H]2OC(C)(C)O[C@@H]2C1,C35591787_decoy,ITAL,Decoy,0,-8.93875,-10.13,-1.97,-9.680992099218264
Cc1cccc(-n2nc(-c3c(C)nc4scc(CC(=O)N[C@H](C)c5ccccc5)n4c3=O)cc2C)c1C,C35912016_decoy,ITAL,Decoy,0,-7.73218,-9.3,-3.6,-7.982621433373782
CC[C@H](C(=O)N(C)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1C)c1ccccc1,C36527262_decoy,ITAL,Decoy,0,-7.70607,-9.7,-4.59,-8.92860364617572
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C)C(=O)Cc1ccc(Br)cc1,C36528387_decoy,ITAL,Decoy,0,-8.07433,-6.84,-3.25,-7.325311985997656
COc1ccc(OC)c([C@H]2C3=C(CC(C)(C)CC3=O)NC3=NC(SCc4ccccc4F)=NC(=O)[C@H]32)c1,C38821312_decoy,ITAL,Decoy,0,-10.346,-4.84,-3.4,-6.45575303700503
COc1ccc([C@H]2C3=NC=N[C@H]3CCN2C(=S)Nc2ccc(I)cc2)cc1OC,C39546425_decoy,ITAL,Decoy,0,-8.0468,-4.54,-3.83,-5.180767506217682
CC(C)COc1ccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]2c2ccc(Br)cc2)cc1,C39826989_decoy,ITAL,Decoy,0,-9.09412,-7.67,-3.31,-9.374721312007102
O=C(CSc1nnc(-c2csc3c2CCCCC3)n1C[C@H]1CCCO1)Nc1ccc(Cl)cn1,C39966920_decoy,ITAL,Decoy,0,-10.8549,-9.31,-3.24,-9.733075566605216
Cc1ccc(Sc2nc(C)c(C(=O)C3=C([O-])C(=O)N(CC[NH+](C)C)[C@@H]3c3ccc(F)cc3)s2)cc1,C39991632_decoy,ITAL,Decoy,0,-8.71697,-7.02,-3.48,-7.014690659728524
CCCCn1c(NCc2ccccc2Cl)c(/C=C2\SC(=S)N(CCC)C2=O)c(C)c(C#N)c1=O,C40067046_decoy,ITAL,Decoy,0,-9.14545,-7.59,-3.94,-9.88699262702344
O=C(CCS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)C1CC1)Nc1cc(F)ccc1F,C40450882_decoy,ITAL,Decoy,0,-9.16371,-8.64,-1.71,-8.134625103209068
C[C@H](C(=O)N1CCN(C)CC1)[C@@H]1CC[C@]2(C)Cc3sc(COC(=O)C(C)(C)C)nc3[C@@H](C)[C@@H]2[C@H]1O,C43549290_decoy,ITAL,Decoy,0,-9.29401,-5.91,-2.35,-6.560838918562754
COC(=O)C1=C([O-])N=C(SCC(=O)Nc2ccc(C)c(Cl)c2)[C@H](C#N)[C@H]1c1ccc(Cl)cc1,C49633042_decoy,ITAL,Decoy,0,-9.19338,-8.75,-2.29,-10.791233260948175
Cc1nn([C@H]2CCS(=O)(=O)C2)c2nc(-c3ccc(F)cc3)cc(C(=O)NCCCc3ccccc3)c12,C57310313_decoy,ITAL,Decoy,0,-10.2922,-6.0,-2.9,-6.329558106537574
COC(=O)[C@H]1C[C@@H](C(C)C)S[C@H]1NC(=O)/C(C#N)=C/[C@@H]1C=NN=C1c1ccc(Br)cc1,C63772842_decoy,ITAL,Decoy,0,-8.66584,-4.97,-1.96,-6.174064144000356
CCOc1ccc(NC(=O)CN(Cc2ccccc2)S(=O)(=O)c2ccc(Br)cc2)cc1,C01208036_decoy,ITAL,Decoy,0,-9.8529,-8.11,-2.43,-13.446692033067812
Cc1cc(C)c(NC(=O)CSc2nc3ccccc3c(=O)n2-c2ccc(OC(F)F)cc2)c(C)c1,C08953030_decoy,ITAL,Decoy,0,-7.4338,-8.03,-3.23,-7.936407910502336
O=S(=O)(NC[C@H](c1ccc(F)cc1)S(=O)(=O)c1cccs1)c1ccc(OC2CCCC2)cc1,C08968237_decoy,ITAL,Decoy,0,-9.31743,-8.94,,99.0
COc1ccc(CCNC(=O)/C(C#N)=C2/S[C@@H](Cc3ccc(F)cc3)C(=O)N2c2ccccc2)cc1,C09075956_decoy,ITAL,Decoy,0,-8.6152,-8.67,-2.98,-8.903462913252847
Cc1ccc(S(=O)(=O)[C@@H](CNS(=O)(=O)c2cc(F)ccc2F)c2ccc(N(C)C)cc2)cc1,C09080095_decoy,ITAL,Decoy,0,-8.68758,-7.77,-1.8,-8.14668464151324
Cc1ccc(F)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)c1,C09080482_decoy,ITAL,Decoy,0,-8.72748,-7.77,-4.01,-8.178730490893589
CCc1c(C)sc2nc(SCC(=O)N[C@H]3CCCc4ccccc43)n(C[C@@H]3CCCO3)c(=O)c12,C09181600_decoy,ITAL,Decoy,0,-8.58709,-8.8,-2.94,-8.069723916760445
O=C(CCCn1c(SCC(=O)c2ccc(F)cc2)nc2ccsc2c1=O)NCCc1ccccc1,C02925371_decoy,ITAL,Decoy,0,-9.80772,-7.65,-2.59,-8.151860595720473
Cc1sc2nc(SCC(=O)NCCOc3ccc(Cl)cc3)n(-c3ccccc3)c(=O)c2c1C,C09583287_decoy,ITAL,Decoy,0,-7.60497,-8.08,-2.72,-7.318098534892488
CC(C)OCCCn1c(SCC(=O)NCCc2ccccc2)nc2c(sc3ccccc32)c1=O,C02961952_decoy,ITAL,Decoy,0,-9.48758,-7.94,-1.39,-8.773959974604137
Cc1ccc(-n2c(S[C@@H](C)C(=O)Nc3ccc(SC(F)F)cc3)nnc2-c2ccncc2)cc1,C10731575_decoy,ITAL,Decoy,0,-8.28855,-9.3,-3.74,-7.835481375915039
C/C(=N\NC(=O)c1ccc(CN(Cc2ccccc2)S(=O)(=O)c2ccccc2)cc1)c1ccccc1,C14158111_decoy,ITAL,Decoy,0,-9.12608,-9.87,-4.57,-8.09818737160092
O=S(=O)(Cc1nc2ccccc2n1C[C@H](O)COc1ccc(-c2ccccc2)cc1)c1ccccc1,C14289964_decoy,ITAL,Decoy,0,-8.39512,-8.88,-3.26,-7.706526346891638
C=CCN(C(=O)[C@@H](C)SCc1nc2sc(C)c(C)c2c(=O)[nH]1)c1nc(-c2ccccc2)cs1,C14723477_decoy,ITAL,Decoy,0,-8.72683,-7.95,,99.0
CCOC(=O)c1ccc(NC(=O)CCCCCN2C(=O)/C(=C/c3ccccc3F)SC2=S)cc1,C15044394_decoy,ITAL,Decoy,0,-8.07403,-7.15,-1.73,-7.71193017718206
CCN(CC)S(=O)(=O)c1ccc(S(=O)(=O)Nc2ccc(I)cc2)cc1,C16125316_decoy,ITAL,Decoy,0,-8.37143,-4.9,-1.79,-6.508311344091387
Cc1cc(OC[C@H](O)Cn2c([C@@H]3CC(=O)N(c4cccc(F)c4)C3)nc3ccccc32)ccc1Cl,C16903512_decoy,ITAL,Decoy,0,-10.4368,-6.82,-3.35,-7.033439829150356
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCC[NH+](C)C)[C@@H]2c2cccc(Br)c2)cc1,C20135665_decoy,ITAL,Decoy,0,-7.59862,-6.43,-1.55,-6.960441183745805
CC(C)(C)C(=O)NCCC(=O)N(C[C@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1,C22523240_decoy,ITAL,Decoy,0,-8.33775,-7.5,,99.0
CC[C@H](C)c1ccc([C@@H](NC(=O)Cn2c(CS(C)(=O)=O)nc3ccccc32)c2cccs2)cc1,C23182435_decoy,ITAL,Decoy,0,-8.4399,-4.46,-1.57,-6.555188360565516
CCN(Cc1ccc(Br)s1)C(=O)CSc1nc2ccccc2c(=O)n1CCCO,C24090555_decoy,ITAL,Decoy,0,-9.33533,-6.13,-3.1,-7.500656893723052
O=S(=O)(c1ccc(C(F)(F)F)cc1)N1CCN(C[C@H](O)CO[C@H]2CCCc3ccccc32)CC1,C12917015_decoy,ITAL,Decoy,0,-7.85935,-8.85,-3.04,-6.919230373363756
Cc1ccc(NC(=O)CSc2nnc(-c3ccncc3)n2Cc2ccccc2)c(Br)c1,C28608924_decoy,ITAL,Decoy,0,-10.1996,-9.32,-3.9,-9.37216715518021
CCOc1ccccc1OCC(=O)Nc1sc(C)c(-c2ccc(Br)cc2)c1C(=O)OC,C32598924_decoy,ITAL,Decoy,0,-8.92785,-7.32,-2.4,-9.40119662454618
COc1ccc(/C=C2/SC(=S)N(CCCCCC(=O)Nc3nc4ccccc4s3)C2=O)cc1,C32701748_decoy,ITAL,Decoy,0,-8.16174,-7.96,-2.79,-7.381526944033996
CCc1cc(-c2nc(-c3cc(C(=O)NCCC4=CCCCC4)c(C)n3C[C@@H]3CCCO3)cs2)ccn1,C33598288_decoy,ITAL,Decoy,0,-9.15492,-7.93,-4.5,-9.294630311917546
COCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)Nc1ccc(Cl)cc1,C33617889_decoy,ITAL,Decoy,0,-8.00821,-7.4,-2.74,-8.376089571146656
C=CCOc1c(Br)cc(/C=N\Nc2nc(C)cc(COC)c2C#N)cc1Br,C34913945_decoy,ITAL,Decoy,0,-8.13346,-6.74,-2.37,-7.426354064194763
CCCOc1cccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@@H]2c2ccc(Br)cc2)c1,C34942160_decoy,ITAL,Decoy,0,-9.14351,-8.03,-3.37,-8.78032901214319
C[C@H]1Cc2cc(C(=O)C3=C([O-])C(=O)N(CCC[NH+](C)C)[C@H]3c3cccc(Br)c3)ccc2O1,C34990720_decoy,ITAL,Decoy,0,-8.9554,-9.02,-3.41,-9.408623919226564
CCCCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2CC[NH+](C)C)cc1,C35024021_decoy,ITAL,Decoy,0,-8.42401,-7.65,-3.62,-9.12779610407601
CCc1ccccc1NC(=O)N(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C[C@H]1CCCO1,C35306809_decoy,ITAL,Decoy,0,-9.09578,-8.2,-3.09,-8.816792453721732
COCCCN(CC(=O)N(Cc1ccc(F)cc1)Cc1cccs1)C(=O)Nc1c(C)cccc1C,C33881348_decoy,ITAL,Decoy,0,-8.62067,-7.81,-2.69,-8.408143780749107
COCCCN(CC(=O)N(Cc1ccccc1)Cc1sccc1C)C(=O)Nc1cccc(Cl)c1,C33856830_decoy,ITAL,Decoy,0,-9.27994,-7.38,-1.46,-8.538492102869336
Cc1nc(C)c(Cc2ccccc2Cl)c(N2CCN(C[C@@H](O)COc3ccc(Cl)cc3)CC2)n1,C36340221_decoy,ITAL,Decoy,0,-10.7509,-9.52,-3.94,-9.733533705808506
CCC/C=C/[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)N(C(=O)CCS)c1ccccc1Cl,C36545842_decoy,ITAL,Decoy,0,-11.1416,-7.57,-3.42,-9.715570383390084
CCCN(C(=O)Cc1ccccc1C)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)C1CCCCC1,C36561399_decoy,ITAL,Decoy,0,-8.17207,-9.73,-2.79,-9.048801314273083
CCCCNC(=O)[C@@H](c1ccc(C(F)(F)F)cc1)N(Cc1ccc(C)o1)C(=O)c1ccc(OC)cc1,C36595535_decoy,ITAL,Decoy,0,-8.79831,-8.22,-2.33,-9.189011393057813
O=C(NCc1ccc(F)cc1)c1ccc(CSc2nnc(-c3ccncc3)n2Cc2ccccc2)cc1,C37397878_decoy,ITAL,Decoy,0,-9.54419,-9.66,-4.31,-7.962088839821932
Cc1ccccc1N1C(=S)S[C@@H]2C(=O)N=C(SCC(=O)N[C@H](C)CCc3ccccc3)N=C21,C39589514_decoy,ITAL,Decoy,0,-9.29457,-6.44,-3.41,-7.4679325427056735
C=CCn1c(SCC(=O)Nc2ccc(I)cc2)nnc1-c1cccc(OC)c1,C39748516_decoy,ITAL,Decoy,0,-6.96223,-8.52,-3.31,-7.117487292788921
CCCCCN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CC)c2NCCc2ccccc2)SC1=S,C39851322_decoy,ITAL,Decoy,0,-8.4973,-7.45,,99.0
CCCn1c(NCCc2ccccc2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O,C40066739_decoy,ITAL,Decoy,0,-8.82162,-4.87,-3.59,-6.274036312256907
CCCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O,C40066977_decoy,ITAL,Decoy,0,-8.758,-6.07,-2.91,-7.730155081615007
CCCCn1c(NCc2ccccc2)c(/C=C2\SC(=S)N([C@H](C)CC)C2=O)c(C)c(C#N)c1=O,C40066979_decoy,ITAL,Decoy,0,-8.70071,-7.55,-2.21,-12.831155806596312
COc1ccc(C(=O)NCCc2nc3ccccc3n2Cc2cccc(Br)c2)cc1OC,C40200425_decoy,ITAL,Decoy,0,-8.69238,-9.11,-2.43,-10.885055266411037
CC[NH+](CC)c1ccc(CN(C(=O)Cc2coc3ccc(C(C)C)cc23)[C@H]2CCS(=O)(=O)C2)cc1,C54362169_decoy,ITAL,Decoy,0,-8.88795,-8.04,-2.28,-9.037529740209775
COc1ccc(CN(Cc2cc(OC)c(OC)c(OC)c2)C(=S)Nc2ccc(C)cc2Cl)cc1,C59064856_decoy,ITAL,Decoy,0,-9.22647,-8.21,-4.46,-9.051968032671423
COc1ccc(CN(Cc2cc(OC)c(OC)cc2OC)C(=S)Nc2ccc(C)c(Cl)c2)cc1,C59068013_decoy,ITAL,Decoy,0,-8.69424,-7.81,-2.36,-8.019560616359634
O=C(CC1CCN(C(=O)c2cn(-c3ccccc3)nc2-c2ccccc2)CC1)NCCC1=CCCCC1,C33115149_decoy,ITAL,Decoy,0,-8.82664,-8.51,-2.91,-9.79448465362846
Cc1ccc(S(=O)(=O)N[C@H](Cc2ccccc2)C(=O)Oc2cc(C)cc3oc(=O)c4c(c23)CCC4)cc1,C02149259_decoy,ITAL,Decoy,0,-8.77344,-5.68,-2.25,-5.949742369847643
O=S(=O)(NCc1ccccc1)c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)C2CCCC2)cc1,C00934012_decoy,ITAL,Decoy,0,-9.43516,-5.5,-2.18,-7.1559842403098335
CCn1c(COc2ccc(OC)cc2)nnc1SCC(=O)Nc1ccc(Br)cc1C(C)C,C02859259_decoy,ITAL,Decoy,0,-7.37842,-7.52,-1.8,-6.513122629575712
CCOC(=O)c1c(NC(=O)Cn2c(=O)cc(C)c3c(C)nn(-c4ccccc4)c32)sc2c1CC[C@@H](C)C2,C09004034_decoy,ITAL,Decoy,0,-9.00783,-9.37,-1.8,-9.034701144982003
Cc1cccn2c(=O)c(/C=C(\C#N)C(=O)NCCc3ccccc3)c(N3CCN(c4ccccc4)CC3)nc12,C02206767_decoy,ITAL,Decoy,0,-7.39475,-10.15,-2.67,-8.137891244289788
COc1cc(C)c(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(F)cc2)cc1C,C09080484_decoy,ITAL,Decoy,0,-7.4856,-8.49,-1.48,-8.446971338101891
CC(=O)c1ccc(NC(=O)c2cnn(-c3ccc(C)cc3C)c2C2CCN(C(=O)OC(C)(C)C)CC2)cc1,C09264941_decoy,ITAL,Decoy,0,-7.96206,-8.74,-3.8,-7.954643758857075
O=C(c1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)N(Cc1ccccn1)c1nc2ccccc2s1,C09292575_decoy,ITAL,Decoy,0,-7.78028,-9.42,-1.97,-10.816481585123515
Cc1ccccc1CSc1nnc(CCNS(=O)(=O)c2ccc(F)c(F)c2)n1-c1ccc(F)cc1,C11963797_decoy,ITAL,Decoy,0,-8.79623,-4.96,-3.3,-5.439973116067718
Cc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)S(=O)(=O)c3c(C)ccc4nsnc34)cc2c1,C06408192_decoy,ITAL,Decoy,0,-8.64815,-5.62,-1.78,-6.126727951442401
CCN(CC)S(=O)(=O)c1ccc(NC(=O)COc2ccc(-c3ccccc3)cc2Br)cc1,C14641932_decoy,ITAL,Decoy,0,-8.3312,-8.09,-2.31,-9.404300852299642
O=C(COC(=O)c1nc(-c2ccccc2)n(-c2cccc(C(F)(F)F)c2)n1)N[C@H]1CCCc2ccccc21,C03424882_decoy,ITAL,Decoy,0,-9.53084,-5.88,-2.24,-6.660980265581975
COCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)c1ccc(C(F)(F)F)cc1,C16436952_decoy,ITAL,Decoy,0,-8.06603,-6.82,-2.56,-7.810037841593401
Cc1ccc(NC(=O)c2csc(CSc3nnc(-c4ccncc4)n3-c3ccccc3F)n2)cc1C,C16464585_decoy,ITAL,Decoy,0,-8.61262,-5.66,-2.02,-6.0753514053044855
COc1ccc(NC(=O)N(CC(=O)N2c3ccccc3-n3cccc3[C@H]2c2ccc(OC)cc2)C2CC2)cc1,C16569766_decoy,ITAL,Decoy,0,-10.2531,-8.46,-3.24,-14.299540313535363
Cc1ccc(CN(Cc2ccc(F)cc2)C(=O)CN(C[C@@H]2CCCO2)C(=O)Nc2ccc(C(C)C)cc2)o1,C16651247_decoy,ITAL,Decoy,0,-7.76113,-8.31,-2.84,-7.724448770709557
CC(C)CN(CC(=O)N(Cc1ccc(F)cc1)Cc1ccco1)C(=O)Nc1c(C(C)C)cccc1C(C)C,C16653232_decoy,ITAL,Decoy,0,-8.36316,-8.68,-4.42,-9.358193587879263
CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3C)S(=O)(=O)c3cccc(C(C)=O)c3)cc2c1,C09694127_decoy,ITAL,Decoy,0,-8.74322,-9.39,,99.0
Cc1cc2cc([C@@H](c3nnnn3C(C)(C)C)N(CCc3ccccc3)Cc3ccccc3)c(=O)[nH]c2cc1C,C20083611_decoy,ITAL,Decoy,0,-9.51332,-9.6,-4.3,-11.605717453047124
COc1ccc(C2=NN(C3=NC(=O)[C@@H](CC(=O)Nc4ccc(C)cc4)S3)[C@@H](c3ccccc3F)C2)cc1,C20490620_decoy,ITAL,Decoy,0,-9.0452,-6.79,-3.64,-6.93548585102026
COc1ccc(C2=NN(C3=NC(=O)[C@H](CC(=O)Nc4ccc(C)cc4)S3)[C@H](c3ccccc3F)C2)cc1,C20490626_decoy,ITAL,Decoy,0,-7.85942,-7.46,,99.0
COc1ccc(NC(=O)C[C@@H]2SC(N3N=C(c4ccc(F)cc4)C[C@H]3c3ccc(C)cc3)=NC2=O)cc1,C20903547_decoy,ITAL,Decoy,0,-8.14413,-6.99,-2.99,-6.148910972606793
COc1cccc(Nc2nc([C@H](C)N3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)nc3ccccc23)c1,C22052459_decoy,ITAL,Decoy,0,-9.30562,-5.63,-3.27,-5.8225413408443885
COc1ccc(Nc2nc([C@@H](C)N3CCN(S(=O)(=O)c4ccc(C)cc4)CC3)nc3ccccc23)cc1,C22052698_decoy,ITAL,Decoy,0,-9.3563,-8.42,-2.62,-7.328345329685621
CC[C@H](NC(=O)CN(c1ccc(C)c(C)c1)S(=O)(=O)c1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1,C22318837_decoy,ITAL,Decoy,0,-8.52462,-9.61,-4.68,-10.466270107470097
COc1ccc2c(c1)[C@@H](NC(=O)CN(c1ccc(F)cc1)S(=O)(=O)c1ccc(F)cc1)CC(C)(C)O2,C22426704_decoy,ITAL,Decoy,0,-8.43519,-9.46,-3.17,-8.356932881448758
CS(=O)(=O)N(CC(=O)NCc1ccc(-n2ccnc2)cc1)c1ccc(C23CC4CC(CC(C4)C2)C3)cc1,C22533953_decoy,ITAL,Decoy,0,-7.69477,-7.57,-2.15,-7.3346742556646625
COc1ccc(C(=O)COC(=O)CCC(=O)Nc2nc(-c3ccc(C)cc3)cs2)cc1Br,C24522349_decoy,ITAL,Decoy,0,-8.20165,-7.35,-2.37,-7.737910059246257
COc1ccc(S(=O)(=O)N/N=C\c2ccc(OC)c(COc3c(F)c(F)c(F)c(F)c3F)c2)cc1,C32573524_decoy,ITAL,Decoy,0,-7.76648,-8.17,-2.55,-7.525809484623
COc1ccc(OCc2nc(-c3cc(C(=O)NCC4CCCCC4)c(C)n3Cc3ccco3)cs2)cc1,C33470047_decoy,ITAL,Decoy,0,-8.72536,-6.32,-3.0,-6.532838191631132
COc1cc(OC)cc([C@@H](CC(=O)NCCc2ccccn2)c2cn(Cc3ccccc3)c3ccccc23)c1,C35372199_decoy,ITAL,Decoy,0,-9.09577,-9.17,-3.34,-9.351910080350672
CC[NH+](CC)CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3ccccc3C)cc2)[C@@H]1c1ccc(F)cc1,C35445323_decoy,ITAL,Decoy,0,-7.83455,-5.96,-4.46,-5.831646980494416
Cc1nn(-c2ccccc2)c(Oc2ccccc2Cl)c1CN(C[C@H]1CCCO1)C[C@H](O)c1ccccc1,C35777666_decoy,ITAL,Decoy,0,-9.0007,-9.28,-3.06,-9.854272459498285
COCCNC(=O)CN1C(=O)CS[C@@H](c2cccs2)c2c(C(C)(C)C)nn(-c3cccc(F)c3)c21,C37264161_decoy,ITAL,Decoy,0,-7.53434,-6.95,-1.93,-7.488641755234152
CCC(=O)N1CCc2ccc(OCc3nc(C(=O)NC[C@H]4CCCO4)cs3)cc2[C@H]1c1cccc(F)c1,C37602542_decoy,ITAL,Decoy,0,-9.64894,-9.32,-2.07,-11.947506490649005
CCOc1cccc([C@@H]2C(C(=O)c3sc(-c4ccccc4)nc3C)=C([O-])C(=O)N2CC[NH+](CC)CC)c1,C33813209_decoy,ITAL,Decoy,0,-8.92087,-8.05,-3.27,-8.71347301613972
CCO[P@@]1(=O)NN2C[C@@H]3C=C(S(=O)(=O)Oc4ccccc4)C(Cc4ccccc4)=C[C@@H]3C[C@@H]2CO1,C39469343_decoy,ITAL,Decoy,0,-9.63112,-5.7,-3.77,-6.843120574580294
CC(C)CC(=O)[C@H]1[C@H](c2cccc(O)c2)c2cc3c(cc2C(=O)[C@H]1S(=O)(=O)Oc1ccccc1)OCO3,C39484625_decoy,ITAL,Decoy,0,-10.1758,-8.76,-3.74,-9.654469143591538
CCOc1ccc(-n2c(=O)c3c4c(sc3n(CC(=O)Nc3ccc(C(C)=O)cc3)c2=O)CCCC4)cc1,C39849756_decoy,ITAL,Decoy,0,-8.54893,-7.03,-3.58,-6.384953220829938
C=CCn1c(SCC(=O)Nc2sc(C)c(C)c2C(=O)OC)nnc1-c1csc2c1CCCCC2,C39966597_decoy,ITAL,Decoy,0,-9.5091,-8.48,-1.72,-11.2828171828166
CC[NH+](CC)CCCN1C(=O)C([O-])=C(C(=O)c2c(C)nc3c(C)cccn23)[C@@H]1c1ccc(C(C)(C)C)cc1,C40004100_decoy,ITAL,Decoy,0,-9.40204,-4.91,-2.35,-6.769384591552594
CCCCCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCO)cc1OC,C40021528_decoy,ITAL,Decoy,0,-9.04467,-5.32,-1.65,-7.426742347389072
CCCCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCO)cc1OC,C40021529_decoy,ITAL,Decoy,0,-8.80598,-5.26,-2.9,-6.405610918667293
Cc1c(C(=O)NCC(C)C)cc(-c2csc(COc3cc(Cl)cc(Cl)c3)n2)n1C[C@H]1CCCO1,C33870213_decoy,ITAL,Decoy,0,-10.7827,-6.32,-2.56,-7.549342563437006
CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2cc(C)c(C)cc2[nH]c1=O,C01375140_decoy,ITAL,Decoy,0,-8.39439,-8.62,-3.7,-8.156289722339794
COc1ccc(NC(=O)C[C@@H]2S/C(=N/S(=O)(=O)c3ccc(F)cc3)N(C3CCCCC3)C2=O)cc1,C36629336_decoy,ITAL,Decoy,0,-9.5114,-7.2,-1.92,-9.726212965635249
CC[C@@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O,C57641575_decoy,ITAL,Decoy,0,-9.86325,-10.04,-3.42,-10.47224291325069
CC[C@H](c1nnnn1CCc1ccccc1)N(Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,C57642098_decoy,ITAL,Decoy,0,-8.42209,-9.44,-3.33,-8.914253517792691
C=CCSc1nc2ccc(NC(=O)CSc3nnc(-c4cccnc4)n3-c3ccccc3)cc2s1,C59048248_decoy,ITAL,Decoy,0,-10.0882,-8.25,-3.2,-8.371773261910546
CCOC(=O)c1ccc(N2C(=O)C[C@H](N(CCc3ccccc3)C(=S)Nc3ccc(F)cc3)C2=O)cc1,C33762259_decoy,ITAL,Decoy,0,-8.97914,-8.72,-2.22,-11.413217929287915
CCC(=O)OCC(=O)[C@@]1(OC(=O)CC)[C@H](C)C[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@@H](O)C[C@@]21C,C03830306_decoy,ITAL,Decoy,0,-8.34431,-8.11,-2.26,-8.001923421673318
CCc1ccc2[nH]c(=O)c(CN(Cc3cccs3)S(=O)(=O)c3ccc(C(=O)OC)cc3)cc2c1,C00914147_decoy,ITAL,Decoy,0,-9.90503,-8.86,-2.64,-9.798484232565151
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccco3)S(=O)(=O)c3cccc(C(F)(F)F)c3)cc2c1,C00918524_decoy,ITAL,Decoy,0,-9.37683,-9.45,-1.91,-9.429436721861569
CCN(CC)S(=O)(=O)c1ccc2oc(SCC(=O)Nc3c(F)c(F)c(F)c(F)c3F)nc2c1,C03264268_decoy,ITAL,Decoy,0,-7.71692,-6.66,-3.21,-6.128713994347475
Cc1ccc(NC(=O)c2cc(S(=O)(=O)N(Cc3ccco3)C[C@H]3CCCO3)ccc2F)cc1Cl,C03023663_decoy,ITAL,Decoy,0,-8.11921,-8.63,-2.58,-8.070041378792512
CCOc1ccc2[nH]c(=O)c(CN(CCc3ccccc3)S(=O)(=O)c3cccc(C(C)=O)c3)cc2c1,C06196648_decoy,ITAL,Decoy,0,-8.53067,-9.83,-2.27,-10.297061141600803
COc1ccc(C(=O)Nc2nnc(SCC(=O)c3ccc(Br)cc3)s2)cc1OC,C02836773_decoy,ITAL,Decoy,0,-7.95093,-7.21,-1.73,-6.675915748115988
COc1ccc([C@H](CNS(=O)(=O)c2c(C)cc(C)cc2C)S(=O)(=O)c2cccs2)cc1OC,C08968926_decoy,ITAL,Decoy,0,-8.4702,-8.06,-2.46,-9.3612385328398
C=CCOC(=O)C1C(C)=NC(SCC(=O)Nc2cccc(C(C)=O)c2)=C(C#N)[C@H]1c1cccs1,C09007692_decoy,ITAL,Decoy,0,-8.52428,-7.4,-1.5,-9.898874478091328
COc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2ccc(C)c(C)c2)c2ccc(N(C)C)cc2)cc1,C09081032_decoy,ITAL,Decoy,0,-9.32713,-7.38,-3.74,-8.425929199623317
COc1ccc(S(=O)(=O)[C@H](CNS(=O)(=O)c2cc(C)ccc2C)c2ccc(N(C)C)cc2)cc1,C09081034_decoy,ITAL,Decoy,0,-9.00028,-8.64,-2.95,-8.268446225702965
CCc1ccc(S(=O)(=O)NC[C@H](c2ccc(N(C)C)cc2)S(=O)(=O)c2ccc(OC)cc2)s1,C09081054_decoy,ITAL,Decoy,0,-9.07685,-6.82,-1.89,-7.889123872375571
Cc1ccc2nc(NCCCOC(C)C)c(/C=C3\SC(=S)N(C4CCCCC4)C3=O)c(=O)n2c1,C09462799_decoy,ITAL,Decoy,0,-7.8606,-8.54,-3.7,-8.205286161496842
Cc1cc(C2=NN=C(Nc3cccc(S(=O)(=O)N(C)C)c3)SC2)c(C)n1CCc1ccccc1,C09491314_decoy,ITAL,Decoy,0,-8.7903,-8.51,-4.13,-8.372709669638805
CC(C)N(C(=O)Cn1cc(S(=O)(=O)CC(=O)Nc2cccc3ccccc23)c2ccccc21)C(C)C,C10460865_decoy,ITAL,Decoy,0,-8.47141,-7.39,-2.85,-7.570444414466607
CCOC(=O)c1c(NC(=O)c2ccc(N3C(=O)CCC3=O)cc2)sc2c1CC[C@H](C(C)(C)CC)C2,C01061001_decoy,ITAL,Decoy,0,-8.89281,-4.55,-3.22,-5.647746862173231
CCOc1ccc(-n2c(S[C@@H](C)C(=O)N[C@@H]3CCCc4ccccc43)nnc2-c2ccncc2)cc1,C12597993_decoy,ITAL,Decoy,0,-9.25432,-8.71,-2.14,-8.510257566728626
COCCCN1C(=O)/C(=C/c2ccc(OC)c(CSc3nc(C)cc(C(F)F)n3)c2)NC1=S,C13642493_decoy,ITAL,Decoy,0,-7.5334,-7.5,-2.53,-9.915978549458282
CCN(CC)S(=O)(=O)c1ccc2c(c1)nc(CCC(=O)Nc1ccc(C(F)(F)F)cc1)n2CC,C15079678_decoy,ITAL,Decoy,0,-7.28182,-7.3,-4.32,-6.416330682798781
CCOc1ccc([C@@H](C)NC(=O)c2ccc(Br)c(S(=O)(=O)N(C)C)c2)cc1OCC,C15966386_decoy,ITAL,Decoy,0,-8.11292,-7.05,-2.08,-7.534247949561987
CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)S(=O)(=O)c1ccc(NC(C)=O)cc1,C16490003_decoy,ITAL,Decoy,0,-9.70254,-7.97,-2.29,-8.644218740656637
Cc1ccc(NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2ccc(C)o2)C[C@H]2CCCO2)cc1,C16651207_decoy,ITAL,Decoy,0,-8.61772,-8.85,-2.27,-10.288324598434402
CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H]1c1ccc(OC(C)=O)cc1,C02771820_decoy,ITAL,Decoy,0,-9.03619,-4.36,-1.87,-6.183169086395327
CCOc1ccc(CNC(=O)CN(c2ccc(Br)c(C)c2)S(C)(=O)=O)cc1OCC,C22364682_decoy,ITAL,Decoy,0,-8.35551,-7.66,-1.81,-9.887441176309778
CC[C@H](NC(=O)CN(c1cc(Cl)c(Cl)cc1Cl)S(C)(=O)=O)c1ccc(OC)c(OC)c1,C22365493_decoy,ITAL,Decoy,0,-8.80634,-6.99,-1.23,-10.663009208478794
Cc1noc(CSc2ccccc2C(=O)OCC(=O)N[C@@H](c2ccc(F)cc2)c2cccs2)n1,C22524452_decoy,ITAL,Decoy,0,-8.95957,-6.68,-2.55,-7.600540837217219
COc1ccc(S(=O)(=O)N[C@H](C(=O)N(C)Cc2cc(Br)ccc2OC)C(C)C)cc1,C23497130_decoy,ITAL,Decoy,0,-7.91124,-8.02,-2.83,-8.921650256907997
[H]/N=C1C(=C/c2ccc(OCc3cccc4ccccc34)c(OC)c2)/C(=O)N=C2SC(CCCC)=NN2/1,C27839148_decoy,ITAL,Decoy,0,-8.62451,-5.81,,99.0
N#Cc1ccc(NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2cccs2)C[C@@H]2CCCO2)cc1,C00699589_decoy,ITAL,Decoy,0,-7.99639,-7.0,-4.43,-9.096369717763322
CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C1/SC(=S)N(CCc2ccccc2)C1=O,C33644218_decoy,ITAL,Decoy,0,-8.24093,-7.89,-2.55,-9.030337009617377
CCOCCCNc1nc2ccc(C)cn2c(=O)c1/C=C1/SC(=S)N(Cc2ccc(C)cc2)C1=O,C33807203_decoy,ITAL,Decoy,0,-7.3382,-8.59,-3.69,-7.517668569151723
COc1ccc(NC(=O)N(CC(=O)N(Cc2ccc(F)cc2)Cc2cccs2)C2CC2)c(OC)c1,C35384942_decoy,ITAL,Decoy,0,-8.97342,-8.42,-2.25,-13.570131070167184
Cc1nc2scc(CC(=O)NCCC(c3ccccc3)c3ccccc3)n2c(=O)c1-c1cc(C)n(C)n1,C35562651_decoy,ITAL,Decoy,0,-8.89617,-9.93,-2.66,-13.072590668982963
CO[C@H](C(=O)N(C)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)[C@@H](C)c1ccccc1)c1ccccc1,C36525019_decoy,ITAL,Decoy,0,-8.3332,-9.36,-1.94,-9.504928201382164
C=C(C)C(=O)N(Cc1ccc(C)o1)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccccc1C,C36601652_decoy,ITAL,Decoy,0,-8.31364,-8.55,-1.71,-9.01951042586476
C=C(C)C(=O)N(Cc1ccc(C)o1)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(C)cc1,C36601877_decoy,ITAL,Decoy,0,-8.2955,-8.96,-2.65,-9.199751920059496
CC[C@@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)c1cccc(F)c1,C37401403_decoy,ITAL,Decoy,0,-7.4908,-8.83,-3.43,-8.625292033356608
CC[C@H](C)N(Cc1ccccc1OS(=O)(=O)c1ccc(NC(C)=O)cc1)C(=O)c1cccc(F)c1,C37401405_decoy,ITAL,Decoy,0,-7.77486,-8.16,-2.06,-8.9754762513613
CC(=O)Nc1ccc(S(=O)(=O)Oc2ccc(Cl)cc2CN(C(=O)CC(C)(C)C)C2CC2)cc1,C37423713_decoy,ITAL,Decoy,0,-9.92174,-8.85,-3.96,-11.99733242197406
O=C(CSc1n[nH]c(=O)n1Cc1ccccc1)N(Cc1ccccc1)[C@H]1N=C2CCCC[C@@H]2S1,C39441312_decoy,ITAL,Decoy,0,-8.49853,-7.6,-3.89,-8.13984737271363
CCOc1ccc(N2C(=S)S[C@H]3C(=O)N=C(SCC(=O)NCc4ccc(C)cc4)N=C32)cc1,C39589592_decoy,ITAL,Decoy,0,-8.72799,-7.06,-3.76,-7.914487342880482
CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N(CC(C)C)C2=O)c(C)c(C#N)c1=O,C40066829_decoy,ITAL,Decoy,0,-8.63731,-7.47,-3.42,-7.892834369042268
CCCn1c(NCc2ccc(OC)cc2)c(/C=C2\SC(=S)N([C@@H](C)CC)C2=O)c(C)c(C#N)c1=O,C40066840_decoy,ITAL,Decoy,0,-8.6193,-4.37,-3.9,-5.785382395295882
CCc1cc(Br)ccc1OCC(=O)Nc1sc2c(c1C(=O)OC)[C@H](C(=O)OC)CC2,C40943093_decoy,ITAL,Decoy,0,-8.3534,-7.14,-2.5,-7.589283560353615
Cc1ccc(C)c2[nH]c(=O)c(CN(Cc3ccc(F)cc3)Cc3nnnn3Cc3ccc(F)cc3)cc12,C01372874_decoy,ITAL,Decoy,0,-7.59523,-9.95,-3.28,-8.640538649356586
CC[C@H](c1nnnn1Cc1ccc(F)cc1)N(Cc1cccs1)Cc1cc2ccc(C)cc2[nH]c1=O,C01374285_decoy,ITAL,Decoy,0,-8.44739,-5.68,-2.54,-5.09816804742036
[H]/N=C1C(=C/c2ccc(OCCOc3cccc(C)c3)cc2)/C(=O)N=C2SC(Cc3ccccc3)=NN2/1,C27549288_decoy,ITAL,Decoy,0,-8.50905,-8.07,-2.27,-6.635007701863002
C=CCn1c(SCC(=O)Nc2c(C)cc(C)cc2C)nnc1[C@@H]1CCCN1C(=O)c1ccc(C)cc1,C59179925_decoy,ITAL,Decoy,0,-8.38245,-9.18,-2.62,-8.412376943498739
O=C(Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1)OCc1ccc(C(=O)N2CCCC2)cc1,C23023745_decoy,ITAL,Decoy,0,-8.90935,-7.47,-2.26,-8.21304768728955
COc1ccc(CNC(=O)CSC2=NC(=O)C3=C(c4ccc(F)cc4)[C@H](C)SC3=N2)cc1OC,C38735202_decoy,ITAL,Decoy,0,-8.9918,-7.41,-1.59,-10.165377328090756
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCc4cccc5ccccc45)cc3)c(=O)n2[C@H]1c1ccccc1OC,C03765887_decoy,ITAL,Decoy,0,-9.4112,-5.38,-3.43,-5.23284177901195
Cc1cccc(-n2c(CNC(=O)C34CC5CC(CC(C5)C3)C4)nnc2SCc2ccc([N+](=O)[O-])cc2)c1C,C08793469_decoy,ITAL,Decoy,0,-7.84314,-7.19,-4.16,-6.886540592347932
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3ccccc3n2CCC(=O)OC)cc1,C09298787_decoy,ITAL,Decoy,0,-8.68689,-6.03,-4.96,-7.026231849554458
CCOc1cc(C(=O)Oc2c(S(=O)(=O)c3ccccc3)c(C)nn2C(C)(C)C)cc(OCC)c1OCC,C09558987_decoy,ITAL,Decoy,0,-8.87477,-7.27,-3.99,-8.11572567008075
CCCCN(CC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3c(C)cc(C)cc3n2CCC(=O)OC)cc1,C09589550_decoy,ITAL,Decoy,0,-8.11534,-6.13,-2.81,-7.006875993650029
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cccc(C)c3n2CC(=O)OC)cc1,C09768667_decoy,ITAL,Decoy,0,-7.52879,-6.49,-1.77,-6.584613846039456
CCOc1cc(C(=O)Nc2cc3nn(-c4ccc(N(CC)CC)cc4)nc3cc2C)cc(OCC)c1OCC,C09886555_decoy,ITAL,Decoy,0,-8.7295,-7.03,-2.87,-6.607394563782309
CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1ccc(Cl)cc1)C(=O)COc1ccc(Cl)cc1,C16431734_decoy,ITAL,Decoy,0,-9.6588,-6.47,-4.22,-7.588605528564202
COCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1-c1cccc(C)c1)C(=O)Nc1ccc(F)c(Cl)c1,C16437964_decoy,ITAL,Decoy,0,-8.38736,-8.42,-2.04,-9.014249573052554
COc1ccc(CCN(C)C(=O)CN(Cc2ccccc2)c2nc(Cc3ccc(C)cc3)ns2)cc1OC,C16516406_decoy,ITAL,Decoy,0,-8.6328,-8.59,-2.58,-8.863506719513904
CCC(C)(C)c1ccc(OCC(=O)Nc2cccc(C(=O)Nc3ccc([N+](=O)[O-])cc3)c2)c(C(C)(C)CC)c1,C22343179_decoy,ITAL,Decoy,0,-7.80933,-7.86,-2.24,-7.514666344270904
CCCCCCOc1ccc([C@H]2Oc3ccc([N+](=O)[O-])cc3[C@@H]3CC(c4ccc(OC)c(OC)c4)=NN23)cc1,C26921054_decoy,ITAL,Decoy,0,-7.54277,-6.36,-3.1,-6.268589034823036
CCN(CC)c1ccc(/C=N/NC(=O)[C@H](NC(=O)c2ccc([N+](=O)[O-])cc2)C23CC4CC(CC(C4)C2)C3)cc1,C27470957_decoy,ITAL,Decoy,0,-8.27033,-6.06,-3.37,-6.910171890636292
C[C@H](CC(=O)N(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)Cc1ccco1)CC(C)(C)C,C34703574_decoy,ITAL,Decoy,0,-9.67672,-7.51,-2.27,-8.308558177483116
CCCCCOc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2CCC[NH+](CC)CC)c1,C35420408_decoy,ITAL,Decoy,0,-8.29,-6.18,-3.14,-7.470918902524021
COCCNC(=O)c1cc2cc(NS(=O)(=O)c3ccc(C(C)(C)C)cc3)ccc2n1Cc1cccc(C)c1,C35579512_decoy,ITAL,Decoy,0,-8.48158,-7.2,-3.77,-6.924196965470451
CO[C@H](C(=O)N(Cc1ccco1)[C@@H](C(=O)NC(C)(C)CC(C)(C)C)c1ccc([N+](=O)[O-])cc1)c1ccccc1,C36495057_decoy,ITAL,Decoy,0,-8.37632,-8.44,-3.09,-8.976323082298101
CCCCCCN(C(=O)CC(C)C)[C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1,C36508761_decoy,ITAL,Decoy,0,-7.1819,-7.3,-3.5,-7.724087149642475
CCCCCCN(C(=O)CCc1ccc(OC)cc1)[C@@H](C(=O)NC(C)(C)C)c1cc([N+](=O)[O-])ccc1Cl,C36515213_decoy,ITAL,Decoy,0,-7.99423,-7.95,-3.33,-10.16017159179405
CCCC[C@@H](CC)C(=O)N(CCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1,C36564792_decoy,ITAL,Decoy,0,-7.62006,-7.39,-3.8,-9.038666887317529
CCCC[C@H](CC)C(=O)N(CCC)[C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc([N+](=O)[O-])cc1,C36564794_decoy,ITAL,Decoy,0,-7.27259,-7.22,-3.8,-8.160573816712324
CCCC[C@@H](CC)C(=O)N([C@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(N(C)C)cc1)C(C)(C)C,C36582845_decoy,ITAL,Decoy,0,-8.5196,-6.52,-2.14,-8.379690276981076
CCCC[C@H](CC)C(=O)N([C@@H](C(=O)NCS(=O)(=O)c1ccc(C)cc1)c1ccc(N(C)C)cc1)C(C)(C)C,C36582848_decoy,ITAL,Decoy,0,-8.88126,-7.32,-3.76,-9.020724806592854
CCCCN(CCCC)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(C)cc(C)c3n2CCOC)cc1,C36632060_decoy,ITAL,Decoy,0,-8.88603,-7.13,-3.42,-10.427268889644749
Cc1ccc(C)c(-n2c(CNC(=O)C34CC5CC(CC(C5)C3)C4)nnc2SCc2ccc([N+](=O)[O-])cc2)c1,C39708441_decoy,ITAL,Decoy,0,-7.41767,-8.62,-2.52,-7.83041661536484
CCCC[C@@H](CC)CN1C(=O)/C(=C\c2c(C)c(C#N)c(=O)n(CCCC)c2N2CCOCC2)SC1=S,C39770453_decoy,ITAL,Decoy,0,-9.01665,-4.95,-3.08,-6.154100019289981
CCCCCCOc1ccc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1,C40040974_decoy,ITAL,Decoy,0,-9.10575,-9.99,-3.47,-8.664461602994692
CCCCCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)cc1,C40041259_decoy,ITAL,Decoy,0,-8.82552,-4.29,-4.73,-5.662732012995554
CCCCCOc1ccc([C@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2c2nnc(CC(C)C)s2)cc1,C40041260_decoy,ITAL,Decoy,0,-9.27704,-3.53,-2.7,-5.330815697823208
CCCCCCOc1ccc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2c2nnc(CCC)s2)cc1,C40041399_decoy,ITAL,Decoy,0,-9.0834,-5.53,-3.1,-6.980406672456176
COc1ccc(C(=O)NCCCc2nc3ccccc3n2CC(=O)N(C2CCCCC2)C2CCCCC2)cc1,C40207678_decoy,ITAL,Decoy,0,-8.96223,-8.2,-3.84,-8.28774588676495
CCCSc1nc2n(n1)[C@H](c1ccc(OCc3ccc(C(C)(C)C)cc3)cc1)C(C(=O)OC(C)C)=C(C)N2,C40981727_decoy,ITAL,Decoy,0,-8.48513,-5.35,-3.17,-6.309688202089341
C=C/C(OC)=C(\C=C/CCN1C(=O)/C(=N\NC(=O)COc2ccc(C(C)(C)C)cc2)c2ccccc21)OCC,C46085065_decoy,ITAL,Decoy,0,-8.61996,-6.96,-2.02,-7.445980790194826
Cc1ccc(-c2nnn(CC(=O)N(c3ccc(C4CCCCC4)cc3)[C@@H](C(=O)NC3CCCCC3)c3ccc(C)o3)n2)o1,C00888458_decoy,ITAL,Decoy,0,-9.67787,-8.0,-3.74,-8.948801840917712
C=CCN1C(=O)/C(=c2\sc3n(c2=O)[C@@H](c2ccc(OC(=O)c4ccco4)cc2)C(C(=O)OCC)=C(C)N=3)c2ccccc21,C01789367_decoy,ITAL,Decoy,0,-9.08401,-5.1,-3.17,-5.9168754173181926
COCCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)c(=O)n2[C@H]1c1ccccc1Cl,C01790988_decoy,ITAL,Decoy,0,-9.58895,-4.88,-3.58,-5.919228678912784
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4ccc(C(=O)OCC)cc4)o3)c(=O)n2[C@H]1c1ccccc1,C01791427_decoy,ITAL,Decoy,0,-9.566,-6.62,-2.95,-6.716943276860983
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3cccc(Oc4ccccc4)c3)c(=O)n2[C@@H]1c1ccc(OC)cc1,C01807718_decoy,ITAL,Decoy,0,-9.53841,-6.38,-4.32,-6.682889875153314
C=CCOC(=O)C1=C(C)N=c2s/c(=C\C=C\c3ccccc3)c(=O)n2[C@H]1c1ccc(OC(=O)c2ccco2)cc1,C01820830_decoy,ITAL,Decoy,0,-8.24087,-6.33,-3.26,-6.958795477969301
CCCCc1ccc(NC2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@H]3c2cccc(OC)c2OC)cc1,C01839839_decoy,ITAL,Decoy,0,-8.89213,-5.96,-2.96,-5.9998945028656205
Cc1ccc(-n2c(SCC(=O)N/N=C/c3cc(Br)ccc3O)nnc2-c2ccc(C(C)(C)C)cc2)cc1,C01860485_decoy,ITAL,Decoy,0,-10.0763,-7.54,-4.29,-7.485973904338969
CCOc1cc([C@@H]2c3c(C)nn(-c4ccccc4)c3N=C3C(Nc4ccccc4OCC)=Nc4ccccc4N32)ccc1O,C01874644_decoy,ITAL,Decoy,0,-9.19128,-4.97,-3.25,-5.983783693002279
CCCCCOC(=O)c1c(NC(=O)c2cccc(Br)c2)n(-c2ccccc2)c2nc3ccccc3nc12,C01897988_decoy,ITAL,Decoy,0,-9.60932,-5.45,-4.27,-6.363238226490765
CCCCOc1ccc(-c2nc3s/c(=C\c4cn(-c5ccccc5)nc4-c4ccc(OC)c(F)c4)c(=O)n3n2)cc1,C01898596_decoy,ITAL,Decoy,0,-8.76235,-6.28,-3.34,-5.952284473916331
CCCCCn1c(=NC(=O)c2cccc([N+](=O)[O-])c2C)c(C(=O)OCC)cc2c(=O)n3cccc(C)c3nc21,C01901209_decoy,ITAL,Decoy,0,-7.12157,-7.58,-2.53,-8.769633144091545
CCCCCn1nc(C(=O)OCc2nc3scc(-c4ccccc4Cl)c3c(=O)[nH]2)c2ccccc2c1=O,C03362516_decoy,ITAL,Decoy,0,-9.83584,-9.65,-3.49,-9.252960217735485
CCOc1ccc([C@H]2C(C(=O)Nc3cccc(C)c3)=C(C)Nc3nc(SCC)nn32)cc1OCCC(C)C,C54614649_decoy,ITAL,Decoy,0,-9.01662,-6.94,-2.85,-7.863951929336814
CCCCc1ccc(NC(=O)c2cc(-c3ccc(CC)cc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1,C57312030_decoy,ITAL,Decoy,0,-7.61071,-5.23,-4.52,-4.409611465819566
CCCCOc1ccc(N2C(=O)[C@H]3[C@H](ON(c4ccccc4)[C@H]3c3ccc(OCCC)c(OC)c3)C2=O)cc1,C09234096_decoy,ITAL,Decoy,0,-9.72263,-6.35,-1.9,-9.152138819704826
CCOc1ccc(/N=C2/S[C@@H](CCCCNC(=O)c3ccccc3)C(=O)N2c2ccc(OCC)cc2)cc1,C32594724_decoy,ITAL,Decoy,0,-9.29745,-8.54,-3.2,-8.12704427847527
COc1ccc(CN(Cc2ccc(Cl)cc2)S(=O)(=O)c2ccc(S(=O)(=O)NC[C@@H]3CCCO3)cc2)cc1,C00933761_decoy,ITAL,Decoy,0,-9.90449,-7.43,-2.37,-9.530555883682185
COc1cccc(CN(Cc2ccccc2OC)S(=O)(=O)c2ccc(S(=O)(=O)NCc3ccccc3)cc2)c1,C00934016_decoy,ITAL,Decoy,0,-9.63356,-7.64,-3.56,-8.540730627315417
CCCOC(=O)C1C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1ccc(OCC)c(OC)c1,C06162354_decoy,ITAL,Decoy,0,-7.77207,-3.99,-2.73,-5.4038725315617215
CCOC(=O)C1=C(N)n2c(s/c(=C\c3ccc(C(=O)OC)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(C(=O)OC)cc1,C01787807_decoy,ITAL,Decoy,0,-8.20799,-5.18,-3.03,-6.885802179903157
C=C1N=C(SCC(=O)N(c2ccccc2)c2ccccc2)C(C#N)[C@H](c2ccc(Cl)cc2)[C@H]1C(=O)OCCOC,C01835193_decoy,ITAL,Decoy,0,-9.43371,-8.63,-2.01,-9.080877041733356
COC(=O)Cc1c(C(=O)OC)sc(N(C(=O)Nc2ccc(Cl)cc2)C(=O)Nc2ccc(Cl)cc2)c1C(=O)OC,C12950799_decoy,ITAL,Decoy,0,-8.52104,-4.56,-2.63,-6.733839531565802
CCOC[C@H](CC(C)C)N(Cc1ccc(N)cc1)S(=O)(=O)c1ccc(Cn2c(C)nc3cnccc32)cc1,C13863963_decoy,ITAL,Decoy,0,-8.61583,-7.89,-1.58,-10.366099867704316
COc1ccc(NC(=O)N(CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccc(C)cc2C)CC(C)C)c(OC)c1,C16436137_decoy,ITAL,Decoy,0,-7.09681,-5.17,-2.64,-5.880551518298903
CCOC(=O)c1ccc(NC(=O)N(CCOC)CC(=O)Nc2cc(C(C)(C)C)nn2-c2ccccc2C)cc1,C16437991_decoy,ITAL,Decoy,0,-8.17168,-6.55,-3.34,-6.718663186063499
CCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1ccc(OCC)c(OC)c1,C02771841_decoy,ITAL,Decoy,0,-8.05324,-8.1,-3.34,-7.56426229380577
CCCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(OC)c1OC,C19892671_decoy,ITAL,Decoy,0,-9.02998,-7.5,-2.59,-8.024270236687181
CCOc1ccc2[nH]c(=O)c(CN(Cc3ccccc3Cl)[C@H](CC)c3nnnn3C3CCCCC3)cc2c1,C13494940_decoy,ITAL,Decoy,0,-10.4705,-9.8,-1.76,-16.503013972720286
CCOc1ccc(Cn2c(SCC(=O)Nc3c(C)cc(C)cc3C)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC,C00719987_decoy,ITAL,Decoy,0,-8.86636,-8.55,,99.0
C=CCOc1ccc([C@H]2C(C(=O)c3c(C)[nH]c(C(=O)OCC)c3C)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1,C33515726_decoy,ITAL,Decoy,0,-9.60468,-7.24,-4.56,-8.941477547004412
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CC[NH+](CC)CC)[C@H]2c2ccc(OCCC)c(OCC)c2)cc1,C33590620_decoy,ITAL,Decoy,0,-8.8432,-7.25,-3.49,-8.126655712053383
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCCC)cc3)=C([O-])C(=O)N2CC[NH+](C)C)cc1OCC,C33627876_decoy,ITAL,Decoy,0,-8.51686,-6.75,-3.77,-8.154642918145068
CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)Nc1ccc(C)cc1C,C33789539_decoy,ITAL,Decoy,0,-8.35691,-7.35,-1.76,-8.171587084078364
CCCCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2CCC[NH+](C)C)cc1OCC,C33814135_decoy,ITAL,Decoy,0,-9.05167,-6.85,-3.37,-8.37154244931545
CCOCCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1cccs1)C(=O)C(C)(C)CCl,C34868466_decoy,ITAL,Decoy,0,-8.41504,-6.46,-2.88,-7.901985344196284
CCCN(CC(=O)N(CCc1ccc(OC)c(OC)c1)Cc1sccc1C)C(=O)Nc1c(C)cccc1C,C34903360_decoy,ITAL,Decoy,0,-8.36867,-7.13,-3.5,-7.644374595471841
CCCN(CC(=O)N(Cc1ccc(F)cc1)C1CCN(C(=O)CCC2CCCC2)CC1)S(=O)(=O)CCC,C34910184_decoy,ITAL,Decoy,0,-8.76543,-7.08,-3.02,-8.40713093075865
CCCCCOc1ccc([C@@H]2C(C(=O)c3ccc(OCC)cc3)=C([O-])C(=O)N2CCC[NH+](C)C)cc1OCC,C34921174_decoy,ITAL,Decoy,0,-8.37892,-6.75,-4.73,-8.24449778140268
CCCCCOc1ccc([C@H]2C(C(=O)c3ccc(F)cc3)=C([O-])C(=O)N2CCC[NH+](CC)CC)cc1OCC,C34940950_decoy,ITAL,Decoy,0,-7.72378,-6.76,-4.09,-7.704161776579902
CC(=O)N[C@@H]1[C@@H](OC(=O)CC[C@H](C)COC(C)=O)C[C@@H]2[C@@H]3CC=C4C[C@H](OC(C)=O)CC[C@]4(C)[C@@H]3CC[C@@]21C,C33925202_decoy,ITAL,Decoy,0,-7.52999,-6.61,-2.54,-6.753845686990713
CCCC[C@H](CC)C(=O)N(CCCOC)CC(=O)N(Cc1ccc(F)cc1)Cc1coc2ccccc2c1=O,C35829200_decoy,ITAL,Decoy,0,-8.51953,-7.73,-3.63,-10.7816990397834
CC(C)(C)CC(C)(C)NC(=O)[C@H](c1ccc(C(F)(F)F)cc1)N(C(=O)c1ccc([N+](=O)[O-])cc1)C(C)(C)C,C36593534_decoy,ITAL,Decoy,0,-5.736,-8.02,-1.92,-7.437195401737963
CCCCCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CC[NH+](C)C)cc1OC,C40003683_decoy,ITAL,Decoy,0,-7.81312,-7.88,-2.18,-7.809615290432989
CCCCCOc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2CC[NH+](C)C)cc1OC,C40003684_decoy,ITAL,Decoy,0,-8.23385,-7.56,-2.7,-7.803459940459297
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC)cc2)[C@@H]1c1ccccc1[N+](=O)[O-],C40019314_decoy,ITAL,Decoy,0,-8.78554,-6.71,-3.98,-8.10957197125229
CCCC[NH+](CCCC)CCCN1C(=O)C([O-])=C(C(=O)c2ccc(F)cc2)[C@H]1c1ccc(OCC)c(OC)c1,C40019595_decoy,ITAL,Decoy,0,-8.44557,-5.96,-4.43,-7.883943287312053
CCOc1cc([C@H]2c3c(oc4ccc(CC)cc4c3=O)C(=O)N2CCCOC(C)C)ccc1OCCC(C)C,C40042950_decoy,ITAL,Decoy,0,-8.7422,-5.36,-3.44,-7.1360635703132
CCOc1cc([C@@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2CCCOC(C)C)ccc1OCCC(C)C,C40065952_decoy,ITAL,Decoy,0,-8.01833,-5.37,-2.75,-6.178042506171928
CCOc1cc([C@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2CCCOC(C)C)ccc1OCCC(C)C,C40065953_decoy,ITAL,Decoy,0,-8.61741,-6.38,-1.71,-8.017329788647897
CCCCCCOc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2CCCOC(C)C)cc1OC,C40513397_decoy,ITAL,Decoy,0,-8.65545,-4.84,,99.0
CCCCOc1ccc([C@H]2C(C(=O)Nc3ccc(C)cc3)=C(C)Nc3nc(SCCC)nn32)cc1OCC,C40982604_decoy,ITAL,Decoy,0,-7.75912,-4.73,-3.15,-6.029677005379016
CCCCCOc1ccc([C@H]2C(C(=O)Nc3cccc(C)c3)=C(C)Nc3nc(SCCC)nn32)cc1OC,C41022224_decoy,ITAL,Decoy,0,-8.24132,-6.23,-4.28,-6.812827500605311
CCOc1ccc(Cn2c(SCC(=O)Nc3ccc(F)cc3F)nc3c2c(=O)n(C)c(=O)n3C)cc1OCC,C00720786_decoy,ITAL,Decoy,0,-7.98257,-8.78,-2.35,-8.188437903178501
COc1ccc(CN(C(=O)Cn2nnc(-c3ccc(C)o3)n2)[C@@H](C(=O)NC2CCCC2)c2ccc(F)cc2)cc1,C00886030_decoy,ITAL,Decoy,0,-8.53796,-9.31,-4.48,-9.539767427809236
COc1ccc(-c2nnc(SCC(=O)N(Cc3ccc(OC)c(OC)c3)c3ccc(F)cc3)o2)c(OC)c1,C00929460_decoy,ITAL,Decoy,0,-7.89522,-7.93,-2.0,-10.33262394826744
O=C(CSc1nnc(CNc2cccc(C(F)(F)F)c2)n1Cc1ccco1)N(c1ccccc1)c1ccccc1,C00929984_decoy,ITAL,Decoy,0,-9.03933,-5.9,-3.27,-6.146335276594515
COc1ccc(CN(Cc2ccco2)[C@@H](c2cc3cc(C)c(C)cc3[nH]c2=O)c2nnnn2Cc2ccco2)cc1,C01382017_decoy,ITAL,Decoy,0,-9.24961,-5.8,-1.4,-6.790762671242126
CCCOc1ccc(N2C(=O)[C@@H]3[C@@H](ON(c4cccc([N+](=O)[O-])c4)[C@H]3c3ccc(OC(=O)c4ccccc4)cc3)C2=O)cc1,C01773067_decoy,ITAL,Decoy,0,-8.94382,-7.87,-3.55,-6.915085618546991
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OC)cc3OC)c(=O)n2[C@H]1c1ccc(OC)c(OC)c1,C01783528_decoy,ITAL,Decoy,0,-8.89562,-8.93,-2.97,-12.316460004052333
COC(=O)C1=C(N)n2c(s/c(=C/c3ccc(C(=O)OC)cc3)c2=O)=C(C(=O)OC)[C@@H]1c1ccc(C(=O)OC)cc1,C01821330_decoy,ITAL,Decoy,0,-8.33462,-4.64,-3.22,-5.21551106587147
C=CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(OCC=C)cc3)c(=O)n2[C@@H]1c1ccc(OC(=O)c2ccco2)cc1,C01826246_decoy,ITAL,Decoy,0,-7.93837,-6.56,-4.08,-6.493087226236752
CCOC(=O)c1sc(NC(=O)c2nn3c(c2Cl)N[C@H](c2ccco2)C[C@H]3C(F)(F)F)c(C(=O)OCC)c1C,C01876972_decoy,ITAL,Decoy,0,-8.978,-4.67,-3.57,-6.272940090745173
COc1ccc(-n2c(SCC(=O)N/N=C/c3ccc(Cl)c([N+](=O)[O-])c3)nnc2-c2ccc(C(C)(C)C)cc2)cc1,C01885232_decoy,ITAL,Decoy,0,-8.73631,-7.31,-3.17,-7.065456867496367
CCOc1ccc2oc(-c3ccccc3)c(C(=O)Oc3ccc4c(c3)O/C(=C/c3cc(OC)c(OC)c(OC)c3)C4=O)c2c1,C01900923_decoy,ITAL,Decoy,0,-8.57899,-8.5,-3.81,-7.088710820076955
CCCOc1ccc([C@H]2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nc(SCCC)nn32)cc1OCC,C54614124_decoy,ITAL,Decoy,0,-10.4761,-5.12,-4.1,-7.436624451100489
CCCSc1nc2n(n1)[C@H](c1ccc(OCCC(C)C)cc1)C(C(=O)Nc1ccccc1OCC)=C(C)N2,C54615561_decoy,ITAL,Decoy,0,-7.91763,-5.64,-2.15,-6.326253668094058
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)cc2OC)cc1OC,C04082255_decoy,ITAL,Decoy,0,-8.98863,-5.34,-2.89,-5.956278848015862
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(OC)c2OC)cc1OC,C04082324_decoy,ITAL,Decoy,0,-8.44336,-5.12,-1.91,-6.01683904734434
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3c(C)cc(Br)cc3C)cc2)cc1,C05941646_decoy,ITAL,Decoy,0,-9.04215,-7.28,-3.12,-8.665824160841858
CCc1ccccc1N(CC(=O)Nc1ccc(S(=O)(=O)Nc2ccc(Cl)cc2)cc1)S(C)(=O)=O,C00659801_decoy,ITAL,Decoy,0,-8.56886,-8.07,-2.01,-7.690368723334
CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3ccc(Br)cc3C)cc2)cc1,C00674940_decoy,ITAL,Decoy,0,-8.48256,-7.8,-3.33,-7.348678777793423
C=CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@]2(C)Cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840836_decoy,ITAL,Decoy,0,-8.17225,-7.54,-3.47,-6.621133262050393
CCOc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC,C08430401_decoy,ITAL,Decoy,0,-9.35769,-8.29,-3.41,-10.772511314300411
CC(C)(C)c1ccc(C(=O)NCc2nnc(SCC(=O)Nc3ccccc3F)n2-c2ccccc2)cc1,C08792539_decoy,ITAL,Decoy,0,-8.21379,-8.04,-3.88,-8.330644187007406
COc1ccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C)c(C)c3)n2-c2cccc(C)c2C)cc1,C09279121_decoy,ITAL,Decoy,0,-9.16449,-9.07,-3.61,-10.671459887146678
CCOc1ccc(NC(=O)c2cnn3c2NC(c2ccc(CC)cc2)=C[C@@H]3c2cccc(OC)c2OC)cc1,C09432145_decoy,ITAL,Decoy,0,-7.67267,-6.05,-3.92,-6.029005283589491
CCOc1ccc([C@H]2C(C(=O)Nc3ccccc3OC)=C(C)Nc3nc(SCc4ccccc4)nn32)cc1,C09597530_decoy,ITAL,Decoy,0,-9.75096,-9.04,,99.0
CCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Oc4ccccc4)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)NC1CCCCC1,C09777274_decoy,ITAL,Decoy,0,-8.93872,-7.15,-3.58,-6.951421358423085
CCOc1cc([C@H]2C(C(=O)Nc3ccc(C)cc3C)=C(C)Nc3ncnn32)ccc1OCc1cccc(C)c1,C09934398_decoy,ITAL,Decoy,0,-8.35754,-5.97,-3.33,-6.552506811194029
CCCc1cc(=O)[nH]c(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)n1,C12007289_decoy,ITAL,Decoy,0,-6.72277,-10.16,-1.12,-10.262732489543035
CCSc1sc(CC)cc1[C@H]1C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CCC2,C12413194_decoy,ITAL,Decoy,0,-8.78916,-4.14,-2.49,-5.374868925504304
CC(=O)[C@@H]1CC[C@H]2[C@@H]3CCC4=C/C(=N/OCC(=O)NCCc5cc6ccccc6[nH]5)CC[C@]4(C)[C@@H]3CC[C@]12C,C12859066_decoy,ITAL,Decoy,0,-8.59501,-9.13,-1.8,-7.343004287836116
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(OC(C)C)c(Br)c3)cc2)cc1,C14657946_decoy,ITAL,Decoy,0,-8.50084,-7.55,-3.03,-8.62287905234095
CC(C)NS(=O)(=O)c1ccc(NC(=O)c2cc(Br)ccc2OCCc2ccccc2)cc1,C14665025_decoy,ITAL,Decoy,0,-8.80062,-8.58,-1.82,-10.039108400178804
CCOC(=O)C1=C(CSc2nc(-c3cccs3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(F)cc1,C08809615_decoy,ITAL,Decoy,0,-8.75586,-6.14,-2.9,-7.352998764827589
COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1F,C15319247_decoy,ITAL,Decoy,0,-6.65777,-4.28,-2.19,-4.270221354562176
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)OC)c5ccccc5)CC[C@@]4(C)[C@@H]3CC[C@@]21C,C17137680_decoy,ITAL,Decoy,0,-8.74651,-6.53,,99.0
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc1OC,C18142672_decoy,ITAL,Decoy,0,-8.58261,-5.1,-2.48,-6.176709523668646
CCOC(=O)C1=C(C)NC(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)=C(C#N)[C@H]1c1cccs1,C19597246_decoy,ITAL,Decoy,0,-8.43409,-6.81,-2.88,-7.178416386295697
CC1=C(C(=O)OCc2ccccc2)[C@H](c2ccco2)C(C#N)=C(SCC(=O)Nc2c(C)cc(C)cc2C)N1,C01142218_decoy,ITAL,Decoy,0,-7.39307,-7.16,-1.85,-6.285571727940567
COc1cc([C@@H]2Nc3ccc(S(=O)(=O)NCCc4ccccc4)cc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC,C20682639_decoy,ITAL,Decoy,0,-8.92846,-6.49,-3.72,-7.204484245038291
CCOc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2cccc(OC)c2OC(C)C)cc1OC,C20884489_decoy,ITAL,Decoy,0,-9.32518,-8.15,-3.8,-8.603119997331827
CCOc1ccc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)c(OC)c(OC)c2)C3)cc1OC,C21223052_decoy,ITAL,Decoy,0,-9.80593,-5.21,-1.39,-7.475077049118645
COc1ccccc1-c1n[nH]c(=S)n1NCc1cc(Cl)c(OCc2ccc(Cl)cc2)c(OC)c1,C22111008_decoy,ITAL,Decoy,0,-8.65701,-6.67,-2.45,-7.442139889657858
CS(=O)(=O)N(CC(=O)Nc1ccccc1C(=O)NC1CCCCC1)c1ccccc1Oc1ccccc1,C22390329_decoy,ITAL,Decoy,0,-9.27495,-8.89,-3.45,-8.711458726523768
CC1=C(C(=O)Nc2ccc(C)cc2C)[C@@H](c2cccnc2)n2nc(SCC(=O)c3ccc(C)cc3)nc2N1,C33085453_decoy,ITAL,Decoy,0,-8.53151,-7.55,-4.55,-7.032659501853083
Cc1ccc(-n2cc(-c3ccc(Cl)cc3)nc2NC(=O)CN(C[C@@H]2CCCO2)C(=O)NC(C)(C)C)cc1,C36051512_decoy,ITAL,Decoy,0,-7.49106,-6.22,-2.61,-7.699751152356986
Cc1ccc([C@@H](C(=O)NC(C)(C)C)N(Cc2ccco2)C(=O)C(O)(c2ccccc2)c2ccccc2)c(C)c1,C36502208_decoy,ITAL,Decoy,0,-7.83724,-5.31,-4.71,-6.661859064475998
Cc1ccc(S(=O)(=O)CNC(=O)[C@@H](c2ccc(O)cc2)N(C(=O)CCC2CCCCC2)C(C)(C)C)cc1,C36581585_decoy,ITAL,Decoy,0,-9.10794,-8.72,-2.77,-9.37814100582652
CCCCNC(=O)[C@@H](c1cc2ccccc2c2ccccc12)N(Cc1ccc(C)o1)C(=O)c1ccc(O)cc1,C36597176_decoy,ITAL,Decoy,0,-7.97588,-8.47,-2.47,-8.559428296706892
COc1cc(C(=O)Nc2nc(-c3cc(C)ccc3C)c(C)s2)ccc1OCC(=O)Nc1ccc(F)cc1,C08693815_decoy,ITAL,Decoy,0,-8.99232,-8.51,-3.79,-7.080235186988538
COc1ccc(OC)c([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1,C38659882_decoy,ITAL,Decoy,0,-9.44872,-8.36,-3.29,-8.462876756317003
COc1cc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cccc(C)c4C)ccc32)ccc1OCC(C)C,C38684229_decoy,ITAL,Decoy,0,-8.35076,-6.34,-3.91,-6.210110709525532
C=CCOc1cccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4cc(C)c(Cl)c(C)c4)ccc32)c1,C38684580_decoy,ITAL,Decoy,0,-9.69569,-9.65,,99.0
CC(C)c1ccc(O[C@H](C)C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)cc1,C39836407_decoy,ITAL,Decoy,0,-8.98012,-7.98,-4.68,-7.862813306503526
CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@@H](C(C)(C)C)C3)cc1,C39836547_decoy,ITAL,Decoy,0,-9.46235,-7.53,-2.42,-7.571790320818938
O=C(Cc1coc2ccc(Br)cc12)Nc1sc2c(c1C(=O)NC[C@@H]1CCCO1)CCCC2,C39883305_decoy,ITAL,Decoy,0,-9.83016,-7.89,-3.57,-8.413015423718482
CCCCCOc1ccc([C@H]2c3c(-c4c(C)cc(C)cc4O)n[nH]c3C(=O)N2C[C@H]2CCCO2)cc1OC,C40550143_decoy,ITAL,Decoy,0,-8.60928,-6.25,-2.18,-7.158912522207136
Cc1ccc(S(=O)(=O)NN=C2[C@H]3CC[C@@H]4C(=NNS(=O)(=O)c5ccc(C)cc5)[C@@H]5CC[C@H]2C5C34)cc1,C43198693_decoy,ITAL,Decoy,0,-9.01326,-8.82,-2.8,-10.20979474492943
CC(=O)[C@H]1CC[C@H]2[C@H]3CCC4=C/C(=N/OCC(=O)NCCc5cc6ccccc6[nH]5)CC[C@@]4(C)[C@@H]3CC[C@@]12C,C43741567_decoy,ITAL,Decoy,0,-9.03226,-8.72,-3.5,-7.193308660259329
CC[C@@H](Sc1ccc(Cl)cc1)C(=O)Nc1ccc(S(=O)(=O)Nc2ccc(OC)cc2OC)cc1,C44884986_decoy,ITAL,Decoy,0,-7.94978,-7.63,-2.63,-7.257392464263525
CCOc1cc([C@H]2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nc(SCC)nn32)ccc1OC(C)C,C54614515_decoy,ITAL,Decoy,0,-10.3147,-8.06,-2.29,-9.838396029350625
COc1ccc(NS(=O)(=O)c2ccc3c(c2)[C@H]2C=CC[C@H]2[C@@H](c2cc(OC)c(OC)c(OC)c2)N3)cc1,C58848512_decoy,ITAL,Decoy,0,-8.83524,-6.51,-1.72,-6.794605634523921
C=CCn1c(CNc2ccccc2)nnc1SCCC(=O)Nc1ccc(I)cc1,C59265824_decoy,ITAL,Decoy,0,-7.1352,-6.91,-2.77,-6.415607541790024
CCc1c(C)sc(NC(=O)c2cc3n(n2)[C@H](C(F)(F)F)C[C@@H](c2ccc(OC)cc2)N3)c1C(=O)OC,C12850555_decoy,ITAL,Decoy,0,-8.71439,-7.86,-1.9,-7.56576983817895
COc1ccc(-n2c(SCC(=O)Nc3sc4c(c3C#N)CCCC4)nnc2-c2ccc(O)cc2)cc1,C13123839_decoy,ITAL,Decoy,0,-10.1159,-9.04,-4.65,-8.809457079172775
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2ccc(OC)c(OC)c2OC)cc1OC,C04082323_decoy,ITAL,Decoy,0,-6.22693,-5.04,-1.83,-3.7595480606421865
CC(C)CCNS(=O)(=O)c1ccc2c(c1)C(=C(C#N)C#N)c1cc(S(=O)(=O)NCCC(C)C)ccc1-2,C02310713_decoy,ITAL,Decoy,0,-8.75466,-6.56,-4.24,-7.34918891690623
C=CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(NS(=O)(=O)c4ccc(C)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840835_decoy,ITAL,Decoy,0,-9.31532,-8.0,-2.48,-7.828718304897118
CCOC(=O)C1=C(CSc2nc(-c3ccncc3)ccc2C#N)OC(N)=C(C#N)[C@H]1c1ccc(Cl)cc1,C08448662_decoy,ITAL,Decoy,0,-9.33237,-8.37,-2.89,-8.93737783360874
Cc1cccc(NC(=O)CSc2nnc(CNC(=O)C34CC5CC(CC(C5)C3)C4)n2-c2cccc(C)c2)c1,C08793643_decoy,ITAL,Decoy,0,-7.49881,-9.44,-3.78,-8.324381106417407
COCCCNC(=O)c1c(NC(=O)c2cc(-c3cccc(OC)c3)nc3ccccc23)sc2c1CCCC2,C08916652_decoy,ITAL,Decoy,0,-8.42553,-8.1,-2.46,-7.981572512690625
CCOC(=O)NC(=O)c1c(NC(=O)c2cc(-c3cccs3)nc3ccccc23)sc2c1CC[C@H](C)C2,C09298257_decoy,ITAL,Decoy,0,-9.76832,-8.48,-2.35,-8.88012430709853
COc1ccc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccc(C)cc4C)[nH]c(=O)c32)cc1OC,C09608852_decoy,ITAL,Decoy,0,-8.51621,-6.93,-2.5,-7.245650803221098
Cc1cccc(NC(=O)[C@@H]2[C@H]3C(=O)N(CCC4=CCCCC4)[C@H](C(=O)N[C@@H]4CCCC[C@@H]4C)[C@]34C=C[C@H]2O4)c1,C09777354_decoy,ITAL,Decoy,0,-10.5474,-9.43,-2.71,-8.8563227372254
Cc1cc(O[C@@H](C)C(=O)NCCCCCC(=O)N2CC[C@]3(O)CCCC[C@@H]3C2)c2c(C)c(C)c(=O)oc2c1,C02108726_decoy,ITAL,Decoy,0,-8.11982,-8.09,-1.68,-8.622685985819592
COc1ccc(NC(=O)CSc2nc(-c3ccc(OC)c(OC)c3)[nH]c2-c2ccc(C)cc2)cc1OC,C09512810_decoy,ITAL,Decoy,0,-8.50858,-8.44,-2.79,-10.688689446541892
Cc1ccc(C)c(N(C(=O)/C=C/C(=O)Nc2cc(C)on2)[C@H](C(=O)NCc2ccccc2)c2ccccc2)c1,C13505911_decoy,ITAL,Decoy,0,-7.52664,-8.5,-4.2,-8.303279051696373
COc1ccccc1NCc1nnc(S[C@H](C)C(=O)N/N=C(/C)c2ccc(F)cc2)n1-c1ccccc1,C13882043_decoy,ITAL,Decoy,0,-9.02219,-8.84,-3.98,-8.764385931622696
COc1cc([C@@H]2Nc3ccc(S(=O)(=O)Nc4ccc(C)cc4C)cc3[C@@H]3C=CC[C@@H]32)ccc1OC(C)=O,C14468559_decoy,ITAL,Decoy,0,-8.42399,-7.86,-3.04,-6.60591632848484
COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@H](c3ccccc3)C2)[C@H]1c1ccc(F)cc1,C15319244_decoy,ITAL,Decoy,0,-6.51784,-3.99,-3.79,-4.291338866024201
COC(=O)C1=C(N)N(c2ccccc2)C2=C(C(=O)[C@@H](C(=O)OC)[C@@H](c3ccccc3)C2)[C@H]1c1ccccc1F,C15319250_decoy,ITAL,Decoy,0,-8.09559,-3.81,-4.13,-4.885813539192543
CCOC(=O)c1ccc(NC(=O)NCc2nnc(SCc3ccc(F)cc3)n2-c2ccc(C)cc2)cc1,C16568970_decoy,ITAL,Decoy,0,-7.81898,-8.54,-2.26,-8.24969540588079
CCOc1ccc(NCc2cccn2-c2nnc(N3CCC(C(=O)N[C@@H]4CCC[C@@H](C)[C@@H]4C)CC3)s2)cc1,C20387707_decoy,ITAL,Decoy,0,-8.37531,-7.91,-4.15,-7.000121762701423
CCOc1ccc(NC(=O)c2c(NC(=O)c3cc(OC)c(OC)c(OC)c3)sc3c2CC[C@H](C)C3)cc1,C01933884_decoy,ITAL,Decoy,0,-7.65998,-7.52,-3.53,-5.866436155382998
O=C(CSc1n[nH]c(N/N=C/c2ccc(Br)cc2)n1)N(C1CCCCC1)C1CCCCC1,C20833722_decoy,ITAL,Decoy,0,-8.61482,-7.77,-2.56,-7.085001925847045
COc1ccc(OC)c([C@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@@H]3c2cc(OC)c(OC)c(OC)c2)c1,C21252723_decoy,ITAL,Decoy,0,-7.34912,-4.61,-2.24,-5.507463130589852
Cc1ccc(NC(=O)CSc2nnc(CNC(=O)C34CC5CC(CC(C5)C3)C4)n2C2CCCCC2)cc1,C09390923_decoy,ITAL,Decoy,0,-9.08205,-8.55,-4.5,-9.323294221208506
CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C(C)C)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C,C34846994_decoy,ITAL,Decoy,0,-8.74641,-7.17,-3.58,-7.017206789046442
COc1ccc(CC(=O)N[C@@H]2CCCC[C@@H]2NC(=O)c2csc(COc3ccc(C(C)C)cc3)n2)cc1,C35957173_decoy,ITAL,Decoy,0,-8.26638,-5.88,-2.55,-7.990203177510876
CCOC(=O)C1=C(c2ccccc2)N=C2SC=C(/C=C(\[O-])NCC[NH+](C)C)N2[C@H]1c1ccc(C)cc1C,C36064397_decoy,ITAL,Decoy,0,-7.46714,-4.14,-4.77,-5.283593426557041
CC[C@H](C)N1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(C)c(Cl)c3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@@H]1C,C36066206_decoy,ITAL,Decoy,0,-8.95274,-7.64,-3.12,-7.679728391585757
Cc1cccc(NC(=S)N/N=C2/C(=O)N(CN3CCN(c4ccccc4F)CC3)c3ccccc32)c1C,C02923685_decoy,ITAL,Decoy,0,-7.62706,-6.36,-2.04,-5.851026693369539
COc1ccccc1OCC(=O)Oc1ccc2c(c1)OC(N)=C(C#N)[C@H]2c1cccc(Oc2ccccc2)c1,C38660800_decoy,ITAL,Decoy,0,-8.44205,-7.72,-3.29,-7.23321229254909
CCc1ccc([C@H]2C(C#N)=C(N)Oc3cc(OC(=O)COc4c(F)c(F)c(F)c(F)c4F)ccc32)cc1,C38677607_decoy,ITAL,Decoy,0,-9.23127,-5.86,-3.24,-5.722609075772735
CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@H](C)Oc4ccc(F)cc4)ccc32)cc1OCC,C38679282_decoy,ITAL,Decoy,0,-8.39806,-8.14,-2.53,-7.252404451227129
C=CCOc1ccc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)[C@@H](C)Oc4ccccc4F)ccc32)cc1OC,C38681088_decoy,ITAL,Decoy,0,-8.12668,-8.16,-3.04,-7.222657541135857
CCOC(=O)[C@@H]1[C@@H](C)[C@H](C(C)=O)S[C@@H]1NC(=O)CSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1,C39153092_decoy,ITAL,Decoy,0,-9.68416,-8.52,-4.16,-9.10080261322343
Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3ccc(C(C)(C)C)cc3)n2-c2cccc(C)c2)c1,C39708421_decoy,ITAL,Decoy,0,-7.30119,-8.77,-3.48,-7.658385793636685
Cc1ccc(NC(=O)Cc2nnc(SCC(=O)Nc3cc(C)c(C)cc3Br)n2C)c(C)c1,C39753971_decoy,ITAL,Decoy,0,-8.00625,-8.69,-2.44,-7.051023962774937
CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H](C(C)(C)C)C3)cc1,C39836480_decoy,ITAL,Decoy,0,-8.26198,-6.38,-2.97,-5.383085165820772
Cc1cc(C)cc(OCC(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H](C(C)(C)C)C3)c1,C39836512_decoy,ITAL,Decoy,0,-8.62408,-7.92,-2.44,-8.00111736376047
CCOc1cccc(C(=O)Nc2sc3c(c2C(=O)N[C@@H]2CCS(=O)(=O)C2)CC[C@H](C(C)(C)C)C3)c1,C39836532_decoy,ITAL,Decoy,0,-8.3473,-4.86,-1.92,-6.039603919495999
CCc1ccc(OCC(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H](C(C)(C)C)C3)cc1,C39836550_decoy,ITAL,Decoy,0,-8.79296,-6.12,-2.74,-8.088429307656844
COc1ccc(NC(=O)C[C@H]2S/C(=N/N=C/c3ccc(-c4ccc(Cl)cc4Cl)o3)NC2=O)cc1,C39887832_decoy,ITAL,Decoy,0,-10.1325,-8.21,-2.12,-8.429220614072714
CCOc1ccc(-n2c(N/N=C/c3ccc(O)c(OCC)c3)nc3c(c2=O)C(C)(C)Cc2ccccc2-3)cc1,C40033269_decoy,ITAL,Decoy,0,-9.39304,-9.8,-3.33,-9.412696284991837
O=C(CCCNC(=O)c1ccccc1)N/N=C1/C(=O)N(CCOc2cccc3ccccc23)c2ccccc21,C40138844_decoy,ITAL,Decoy,0,-8.6959,-9.86,-1.65,-8.733213928704922
CCOc1ccc([C@@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2CCc2ccc(OC)cc2)cc1OC,C39912602_decoy,ITAL,Decoy,0,-8.97893,-7.23,-3.35,-8.014062331683842
CC(=O)[C@@H]1CC[C@H]2[C@H]3CCC4=C/C(=N/OCC(=O)NCCc5cc6ccccc6[nH]5)CC[C@@]4(C)[C@@H]3CC[C@@]12C,C43741565_decoy,ITAL,Decoy,0,-8.56321,-8.22,-3.36,-8.014422040426583
CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(CN4CCc5ccccc54)cc3)cc2)cc1,C44904428_decoy,ITAL,Decoy,0,-9.12877,-9.19,-3.66,-8.596231750439898
CCOc1cc([C@@H]2C(C(=O)Nc3ccccc3)=C(C)Nc3ncnn32)ccc1OCc1ccc(Cl)cc1,C09849776_decoy,ITAL,Decoy,0,-7.61898,-7.94,-3.62,-7.412143235838397
CC(C)OC(=O)c1c(NC(=O)c2cnn3c2N[C@@H](c2ccco2)C[C@@H]3C(F)(F)F)sc2c1CCCC2,C03013007_decoy,ITAL,Decoy,0,-8.81021,-8.21,-3.33,-7.495110370266548
CCCOc1ccc(NC(=O)C[C@H]2C(=O)N(c3ccccc3)C(=S)N2NC(=O)c2cccc(F)c2)cc1,C58940881_decoy,ITAL,Decoy,0,-8.51032,-9.11,-2.24,-8.549254340905755
O=C(CCN1c2ccccc2Sc2ccccc21)Nc1ccc(S(=O)(=O)/N=C2\CCCCCN2)cc1,C12546851_decoy,ITAL,Decoy,0,-9.39562,-8.14,-1.93,-7.779744695740458
COc1cc(/C=C2\C[C@H](C)CC3=C2NC(=S)N[C@H]3c2cc(OC)c(OC)c(OC)c2)cc(OC)c1OC,C63426902_decoy,ITAL,Decoy,0,-8.30071,-7.11,-1.81,-7.060111446035478
COc1cc(/C=N/Nc2nnc3c(n2)[nH]c2ccccc23)cc(Br)c1OCc1cccc(C)c1,C64981661_decoy,ITAL,Decoy,0,-9.40455,-9.0,-1.69,-8.748749317137378
COc1ccccc1CNC(=O)C[C@@H]1[C@H](O)CC[C@@H]2[C@]3(C)CO[C@@H](Cc4ccccc4)O[C@@H]3CC[C@]21C,C04236912_decoy,ITAL,Decoy,0,-8.27963,-6.6,-1.95,-6.393349035582412
O=S(=O)(N/C(=C(\NS(=O)(=O)c1ccccc1)c1ccccc1)c1ccccc1)c1ccccc1,C05009015_decoy,ITAL,Decoy,0,-7.88953,-8.19,-4.47,-8.520985846223631
CCOc1ccccc1NC(=O)c1ccc(O[C@H](C)C(=O)Nc2ccc(Br)cc2)cc1,C00937841_decoy,ITAL,Decoy,0,-8.42517,-7.58,-2.2,-6.903011015925461
COc1ccc(NC(=O)CSc2nc(CC(=O)Nc3ccc(Br)cc3C)cs2)cc1,C08851602_decoy,ITAL,Decoy,0,-9.43087,-8.35,-2.22,-9.199463863772545
COc1ccc2oc(-c3cccc(NC(=S)NC(=O)C(c4ccccc4)c4ccccc4)c3)nc2c1,C08835374_decoy,ITAL,Decoy,0,-8.91909,-9.47,-3.21,-8.632259423681864
Cc1ccc(-c2[nH]c3ccccc3c2[C@@H]2c3ccccc3C(=O)N2CCC(=O)NCc2ccco2)cc1,C09226995_decoy,ITAL,Decoy,0,-8.19685,-8.93,,99.0
CCN(C(=O)c1ccccc1NC(=S)NC(=O)c1cc(Br)ccc1OC)c1ccccc1,C09229317_decoy,ITAL,Decoy,0,-8.62489,-7.24,-2.19,-8.060947007394102
Cc1cc(OCC(=O)NNC(=O)COc2ccc(Br)cc2C(C)C)ccc1Br,C09231618_decoy,ITAL,Decoy,0,-8.59457,-8.02,-2.7,-8.617131901196391
CCOC(=O)NC(=O)c1c(NC(=O)CCSc2ccc(Cl)cc2)sc2c1CC[C@@H](C)C2,C09298374_decoy,ITAL,Decoy,0,-9.82466,-6.04,-1.71,-9.094370544169362
CCOc1cc(/C=N/NC(=O)COc2ccc(C)c(C)c2)c(Br)c(Br)c1O,C09614437_decoy,ITAL,Decoy,0,-8.0829,-7.25,-3.94,-6.873670437116225
COc1ccc(C(=O)NC(=S)Nc2cc(-c3nc4ccccc4s3)ccc2OC)cc1Cl,C06297370_decoy,ITAL,Decoy,0,-8.18221,-7.62,-2.62,-6.573593620749549
CCOC(=O)NC(=O)c1c(NC(=O)CCCSc2ccc(Cl)cc2)sc2c1CCCC2,C09911123_decoy,ITAL,Decoy,0,-10.2118,-8.0,-3.51,-9.229000760093715
CC(C)Oc1ccc(Br)cc1C(=O)NC(=S)Nc1ccccc1OC[C@H]1CCCO1,C10011359_decoy,ITAL,Decoy,0,-8.66813,-7.58,-3.16,-9.521139384693456
Cc1cccc(C)c1NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2)cc1,C12293952_decoy,ITAL,Decoy,0,-8.28799,-8.42,-3.54,-7.859258313850923
O=C(NN=C(Cc1ccccc1)Cc1ccccc1)c1ccc(NS(=O)(=O)c2cccs2)cc1,C12311445_decoy,ITAL,Decoy,0,-9.15356,-9.58,-2.41,-12.011005369499848
N#Cc1cc(C(=O)c2ccc(Br)cc2)[nH]c1Sc1ccccc1C(=O)NCc1ccco1,C12788673_decoy,ITAL,Decoy,0,-8.64637,-7.59,-3.68,-7.721378357716654
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)COc3cccc(Br)c3)cc2)cc1C,C13133932_decoy,ITAL,Decoy,0,-8.09757,-7.33,-2.81,-6.562614332575642
Cc1ccc(-c2nc(S(=O)(=O)c3ccccc3)c(SCC(=O)Nc3cccc(F)c3)[nH]2)cc1,C12252163_decoy,ITAL,Decoy,0,-8.29438,-8.41,-3.25,-8.39847426196457
Cc1cc(Br)ccc1OCC(=O)Nc1ccc(S(=O)(=O)NC2CCCCC2)cc1,C13977489_decoy,ITAL,Decoy,0,-8.43443,-8.13,-2.17,-7.4098972842578945
CCCCOc1cccc(C(=O)NNC(=O)COc2ccc(Br)cc2Br)c1,C14041646_decoy,ITAL,Decoy,0,-7.36902,-6.57,-1.66,-6.578175080433336
CCOC(=O)c1c(NC(=S)NC(=O)c2cc(Br)ccc2OCC)sc2c1CCC2,C14655282_decoy,ITAL,Decoy,0,-9.80178,-7.16,-1.6,-8.516427722576097
CC(C)Oc1ccc(C(=O)Nc2ccc(S(=O)(=O)NCCc3ccccc3)cc2)cc1Br,C14657987_decoy,ITAL,Decoy,0,-8.43091,-6.8,-3.07,-6.729112998045059
Cc1cccc(OCC(=O)NNC(=O)c2cc(Br)ccc2OCCc2ccccc2)c1,C14665551_decoy,ITAL,Decoy,0,-8.96212,-9.41,-3.4,-10.201466200049978
CC(C)(C)c1cc(Br)ccc1OCC(=O)Nc1ccccc1C(=O)NCc1ccco1,C14667866_decoy,ITAL,Decoy,0,-9.08444,-7.67,-3.47,-8.032001061561157
Cc1ccc(S(=O)(=O)N[C@@H](CC(=O)N/N=C/c2ccc(Br)cc2)c2ccccc2)cc1,C15229954_decoy,ITAL,Decoy,0,-8.76814,-8.15,-3.29,-8.400205137360487
CC(C)(C)c1ccc(S(=O)(=O)N(Cc2ccc(Cl)cc2)CC2CCC(C(=O)NO)CC2)cc1,C15827502_decoy,ITAL,Decoy,0,-8.93611,-8.02,-4.57,-7.852939722738624
CCOc1cc([C@H]2C(C(=O)OCCSCC)=C(C)NC3=C2C(=O)CCC3)cc(Br)c1O,C04067976_decoy,ITAL,Decoy,0,-8.83814,-6.84,-3.44,-8.517569551334075
CC1=C(C(=O)Nc2ccccc2C)[C@H](c2ccco2)C(C#N)=C(SCC(=O)c2ccc(C)cc2)N1,C00969396_decoy,ITAL,Decoy,0,-7.67295,-8.77,-4.58,-8.158782871611574
CCOCCOC(=O)C1=C(C)NC2=C(C(=O)C[C@@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccc(O)c1,C02788635_decoy,ITAL,Decoy,0,-9.54176,-8.1,-2.4,-9.543030889429907
C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2ccc(C)cc2)=C(C#N)[C@@H]1c1ccccc1Cl,C20348459_decoy,ITAL,Decoy,0,-8.47465,-7.24,-2.2,-9.968117243687663
Cc1cccc(NC(=S)Nc2cc(S(=O)(=O)N3CCC(C)CC3)ccc2N2CCC(C)CC2)c1C,C20724291_decoy,ITAL,Decoy,0,-8.63052,-9.2,-1.55,-8.982148273087619
Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2)cc1,C14642529_decoy,ITAL,Decoy,0,-7.71992,-7.96,-3.31,-7.155172645749067
CC(C)c1ccc(NC(=O)CSc2nccn2-c2cccc(C(=O)NCc3ccccc3)c2)cc1,C33264926_decoy,ITAL,Decoy,0,-7.09145,-9.42,-3.74,-7.897962339421732
O=C(CCC1CCCC1)N[C@H]1CCCC[C@H]1NC(=O)c1csc(COc2ccc(Cl)cc2)n1,C34905185_decoy,ITAL,Decoy,0,-8.88669,-5.96,-4.93,-6.824483187208237
O=C(CCC1CCCC1)N[C@H]1CCCC[C@@H]1NC(=O)c1csc(COc2ccc(Cl)cc2)n1,C34905186_decoy,ITAL,Decoy,0,-9.19475,-8.46,-2.8,-8.143307164432635
CC(C)(C)NC(=O)[C@H](c1ccc(O)cc1)N(Cc1ccco1)C(=O)C(c1ccccc1)c1ccccc1,C36503537_decoy,ITAL,Decoy,0,-9.7056,-8.85,-3.5,-10.459465587450294
Cc1ccc(CN(C(=O)c2ccc(Cl)cc2)[C@H](C(=O)NC(C)(C)CC(C)(C)C)c2ccc(O)cc2)o1,C36558746_decoy,ITAL,Decoy,0,-8.43697,-7.7,-3.51,-9.545723001730568
CC[C@@](C)(NC(=O)c1cccc(N2C(=O)CS[C@@H]2c2ccccc2)c1)C(=O)Nc1ccccc1C,C00721561_decoy,ITAL,Decoy,0,-8.7273,-9.13,-2.22,-8.223805617637806
COc1ccccc1NC(=S)N/N=C1/C(=O)N(Cc2ccccc2C)c2ccc(Br)cc21,C03043023_decoy,ITAL,Decoy,0,-8.93922,-5.01,-1.65,-5.50809568761282
CC(C)(C)c1ccc2occ(CC(=O)Nc3sc4c(c3C(=O)NC[C@H]3CCCO3)CCC4)c2c1,C39883549_decoy,ITAL,Decoy,0,-9.09841,-9.12,-2.97,-9.067506438976324
COc1ccc([C@H](C)NC(=S)Nc2ccc(S(=O)(=O)N3c4ccc(F)cc4CC[C@@H]3C)cc2)cc1,C39970973_decoy,ITAL,Decoy,0,-8.75023,-7.53,-3.01,-9.921130652843695
C[NH+](Cc1ccccc1NC(=O)c1ccc([N-]S(=O)(=O)c2ccc(F)cc2)cc1)C1CCCCC1,C40030707_decoy,ITAL,Decoy,0,-9.53446,-8.95,-3.51,-8.855954414582497
Cc1cc(C)c(-c2n[nH]c3c2[C@@H](c2cccc(Br)c2)N(CCCOC(C)C)C3=O)c(O)c1,C38704737_decoy,ITAL,Decoy,0,-7.97758,-7.64,-1.4,-8.24632982490119
Cc1ccc(CNC(=O)c2oc3c(c2C)/C(=N/NC(=O)C(c2ccccc2)c2ccccc2)CCC3)cc1,C40815426_decoy,ITAL,Decoy,0,-8.78735,-6.54,-3.18,-5.9987288278498605
N#CC1(c2ccccc2)CCN(C(=O)[C@@H]2CC=CC[C@H]2C(=O)NCCNc2cccc3ccccc23)CC1,C44940707_decoy,ITAL,Decoy,0,-9.17568,-9.06,-2.94,-8.092168483040153
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)Cc3csc(-c4ccsc4)n3)cc2)cc1C,C45530006_decoy,ITAL,Decoy,0,-8.98614,-7.78,-3.19,-8.077414777583037
COc1ccc(-c2nc3ccccc3s2)cc1NC(=S)NC(=O)COc1ccc(Cl)cc1,C06297332_decoy,ITAL,Decoy,0,-7.42435,-6.9,-2.25,-6.577526548386327
COc1ccc(C(=O)NNC(=O)[C@H](C)Oc2ccc(C(C)C)cc2)cc1I,C14040213_decoy,ITAL,Decoy,0,-7.16655,-6.77,-2.08,-4.739296493075946
CC(C)(C)c1ccc(C(=O)Nc2ccc3nc(SCC(=O)Nc4nccs4)sc3c2)cc1,C59417651_decoy,ITAL,Decoy,0,-9.36551,-8.05,-3.84,-6.727583369755748
CCn1nc(C)c(CN/C(=N/C(=O)c2ccc(C(F)(F)F)cc2)Nc2ccc(C(C)C)cc2)c1C,C32971670_decoy,ITAL,Decoy,0,-8.2624,-7.18,-3.67,-6.811864530478198
Cc1cc(OCC(=O)Nc2ccc(S(=O)(=O)Nc3nccs3)cc2)ccc1Br,C00674588_decoy,ITAL,Decoy,0,-8.25974,-7.58,-1.72,-9.213741571940792
CCC(C(=O)Nc1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1)(C(F)(F)F)C(F)(F)F,C03094883_decoy,ITAL,Decoy,0,-7.01572,-6.87,-2.02,-6.529240340020087
CCn1c(CC(=O)Nc2ccccc2)nnc1SCC(=O)Nc1ccc(Br)cc1F,C02854064_decoy,ITAL,Decoy,0,-7.17707,-8.13,-2.83,-7.120142625515716
Cc1cccc(NC(=O)CSc2nnc(CNC(=O)c3cccc(C)c3)n2-c2ccc(F)cc2)c1,C08792449_decoy,ITAL,Decoy,0,-7.71037,-8.87,-2.0,-8.783859920750974
CC[C@H](CO)Nc1nc2c(C)cccn2c(=O)c1/C=C1\SC(=S)N([C@@H](C)c2ccccc2)C1=O,C08913982_decoy,ITAL,Decoy,0,-9.58689,-8.05,-2.22,-9.80272258334992
CCc1ccc(NC(=O)COc2ccc(N3C[C@@H](C(=O)NCc4ccc(C)cc4)CC3=O)cc2)cc1,C09232209_decoy,ITAL,Decoy,0,-7.83109,-9.11,-3.57,-8.57611238032411
CCc1cc(I)ccc1NC(=S)NC(=O)c1ccc(OC)c([N+](=O)[O-])c1,C09355138_decoy,ITAL,Decoy,0,-8.51667,-7.73,-1.87,-7.987976543195058
CCOc1ccc(NC(=O)CSc2nnc(NC(=O)c3cccc(Br)c3)s2)cc1,C09369109_decoy,ITAL,Decoy,0,-7.9611,-6.77,-2.19,-6.660366041492861
CN(C)S(=O)(=O)c1cccc(NC(=O)CSc2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,C09540181_decoy,ITAL,Decoy,0,-8.59469,-8.86,-2.33,-10.396474146450185
CCn1c(SCC(=O)NNC(=O)c2ccc(F)cc2)nc2scc(-c3cccs3)c2c1=O,C09751050_decoy,ITAL,Decoy,0,-8.64023,-7.84,-3.27,-8.80836303327936
CC[C@H](Sc1nnc(-c2cccc(NC(C)=O)c2)n1C)C(=O)Nc1ccc(Br)cc1,C09805664_decoy,ITAL,Decoy,0,-9.6767,-7.96,-2.85,-9.318378319693478
COc1ccc(S(=O)(=O)Nc2nc(CC(=O)Nc3ccc(Br)c(C)c3)cs2)cc1,C09828667_decoy,ITAL,Decoy,0,-8.46005,-8.1,-2.19,-7.7995458297675295
COc1ccc(NCc2cc3ccc(C)cc3n(CC(=O)Nc3ccc(F)c(F)c3)c2=O)cc1OC,C10273898_decoy,ITAL,Decoy,0,-8.15192,-9.38,-2.1,-8.186521147542178
CCNc1ccc(S(=O)(=O)N(C)C)cc1NS(=O)(=O)c1ccc(Cl)c(C(F)(F)F)c1,C10512461_decoy,ITAL,Decoy,0,-8.61866,-7.66,-2.15,-8.341738857147384
COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCO4)C(=S)Nc2ccc(C)cc2)cc1,C06245299_decoy,ITAL,Decoy,0,-9.11306,-5.36,-3.99,-5.6572577753312
COc1ccc(CN(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C(=S)Nc2ccc(C)cc2C)cc1,C00891369_decoy,ITAL,Decoy,0,-8.77562,-10.4,,99.0
COc1cc2cc(CN(Cc3ccc(F)cc3)C(=O)Nc3cccc(Cl)c3)c(=O)[nH]c2cc1OC,C01335753_decoy,ITAL,Decoy,0,-8.10194,-8.78,-2.8,-8.01789257056997
Cc1ccc(S(=O)(=O)N[C@@H](C)C(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1,C12916778_decoy,ITAL,Decoy,0,-8.48047,-9.36,-2.77,-10.20697683899706
CC(C)NS(=O)(=O)c1ccc(Br)c(C(=O)O[C@@H](C)C(=O)N[C@H]2CCCC[C@@H]2C)c1,C12944522_decoy,ITAL,Decoy,0,-8.64833,-6.61,,99.0
Cc1ccc(N(C(=O)CCC(=O)Nc2cc(C)ccn2)[C@H](C(=O)NC(C)C)c2ccc(F)cc2)cc1,C13503709_decoy,ITAL,Decoy,0,-8.01798,-8.43,-2.38,-10.39182054470422
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)N[C@H](c3ccc(F)cc3)c3nccn3C)cc2)cc1C,C14405214_decoy,ITAL,Decoy,0,-9.2613,-8.1,-3.3,-8.04938880695185
CCOc1ccc(NS(=O)(=O)c2cc(NC(=O)c3cncc(Br)c3)ccc2C)cc1,C15898557_decoy,ITAL,Decoy,0,-8.52807,-7.81,-2.95,-7.22950551200431
O=C(CC12CC3CC(CC(C3)C1)C2)NNC(=O)C1CCN(S(=O)(=O)/C=C/c2ccccc2)CC1,C15902287_decoy,ITAL,Decoy,0,-8.96563,-7.98,-2.37,-7.54040227414727
Cc1ccc(-c2csc3ncn(CCC(=O)NCC(=O)Nc4c(C)cc(C)cc4C)c(=O)c23)cc1,C16224257_decoy,ITAL,Decoy,0,-7.21839,-9.03,-3.12,-7.337906354379754
C[C@@H](OC(=O)CNS(=O)(=O)c1c(Cl)cc(Br)cc1Cl)C(=O)NC(C)(C)C,C16973735_decoy,ITAL,Decoy,0,-9.48408,-6.93,-2.79,-11.376775949671597
O=C(COC(=O)[C@@H]1CCCC[C@@H]1c1nc2ccccc2s1)NCC(=O)Nc1ccc(F)c(F)c1,C19354690_decoy,ITAL,Decoy,0,-8.83867,-8.7,-4.14,-8.72414856117972
CCOC(=O)C1=C(c2ccccc2)NC(SCC(=O)Nc2ccccc2F)=C(C#N)[C@H]1c1ccco1,C20136752_decoy,ITAL,Decoy,0,-8.76008,-8.04,-3.18,-9.493621767912437
O=C(Cc1csc(-c2ccsc2)n1)NNC(=O)c1cn(-c2ccccc2)nc1-c1ccccc1,C21876300_decoy,ITAL,Decoy,0,-9.34024,-6.85,-2.14,-7.1684559940450505
Cc1ccc(NC(=O)Cc2c(C)noc2C)cc1S(=O)(=O)Nc1ccc(SC(F)F)cc1,C22700002_decoy,ITAL,Decoy,0,-8.835,-5.64,-3.31,-7.669820114845605
Cc1ccc(C)c(S(=O)(=O)NCCC(=O)N(C)[C@@H](C)c2cccc(NC(=O)c3ccccc3)c2)c1,C24503438_decoy,ITAL,Decoy,0,-7.64737,-8.83,-2.93,-7.386710429964459
COc1ccccc1NS(=O)(=O)c1cc(NC(=O)CCC(=O)c2cc(C)sc2C)ccc1C,C25394559_decoy,ITAL,Decoy,0,-9.50099,-8.79,-2.54,-9.006802800399981
CNS(=O)(=O)Cc1ccc(CNC(=O)c2cn(Cc3ccccc3)nc2-c2ccc(C)cc2)cc1,C25839923_decoy,ITAL,Decoy,0,-8.69686,-8.81,-3.66,-10.939535692228862
Cc1c(NCCc2ccc(NC[C@H]3CC(=O)OC34CCCCC4)cc2)c(=O)n(-c2ccccc2)n1C,C27528782_decoy,ITAL,Decoy,0,-7.8887,-8.75,-2.06,-6.823527788841561
CCS(=O)(=O)c1ccc(O)c(NC(=O)Cc2cn(-c3ccccc3)nc2-c2ccc(Cl)cc2)c1,C28813651_decoy,ITAL,Decoy,0,-10.28,-5.65,-2.49,-7.183782041959632
CCOc1c(Br)cc(C(=O)Nc2cccc(S(=O)(=O)NC(C)(C)C)c2)cc1OC,C32503536_decoy,ITAL,Decoy,0,-6.97434,-6.54,-4.17,-6.604976386127839
COC(=O)c1c(NC(C)=O)sc2c(OCC(=O)NC3CCCCC3)c(Br)ccc12,C33113700_decoy,ITAL,Decoy,0,-8.43263,-4.79,-3.74,-5.460610331931666
Cc1cccc(NC(=O)CNC(=O)CN(Cc2ccco2)C(=O)c2cccc(Br)c2)c1,C33662310_decoy,ITAL,Decoy,0,-8.79523,-8.26,-2.7,-11.911426910226536
Cc1ccc([C@H](C(=O)NC(C)(C)CC(C)(C)C)N(Cc2ccc(C)o2)C(=O)[C@@H]2CCC(=O)N2)cc1,C36601265_decoy,ITAL,Decoy,0,-8.18702,-8.27,-3.13,-8.66931999436722
CC(C)CN(Cc1ccccc1)C(=O)[C@@H]1CC(S(=O)(=O)Oc2ccccc2)=C2Nc3ccccc3C[NH+]21,C39544772_decoy,ITAL,Decoy,0,-9.37433,-6.5,-1.76,-6.999595321595574
CCCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@H](C)C3)cc1,C39836266_decoy,ITAL,Decoy,0,-8.28548,-4.91,-2.2,-5.925119423473388
C=CCOc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)cc1,C39836285_decoy,ITAL,Decoy,0,-9.05218,-4.74,-1.99,-6.165915952940768
CC(C)COc1ccc(C(=O)Nc2sc3c(c2C(=O)N[C@H]2CCS(=O)(=O)C2)CC[C@@H](C)C3)cc1,C39836289_decoy,ITAL,Decoy,0,-8.9303,-5.38,-3.24,-5.8906046261887886
Cc1nn(Cc2ccc(F)cc2)c(C)c1NC(=S)Nc1ccc(S(=O)(=O)N2CCCC[C@H]2C)cc1,C39970885_decoy,ITAL,Decoy,0,-8.98509,-7.57,-3.86,-8.035196687248245
Cc1ccc(Sc2nc(C)c(C(=O)C3=C([O-])C(=O)N(CC[NH+](C)C)[C@H]3c3ccc(O)cc3)s2)cc1,C39991639_decoy,ITAL,Decoy,0,-9.64919,-5.68,-2.94,-6.693862717845002
COCCNC(=O)[C@@H](C)[C@H]1CC[C@]2(C)Cc3sc(COc4ccc(OC)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C43549343_decoy,ITAL,Decoy,0,-9.1232,-7.47,-3.32,-7.536573317115661
CC(C)NS(=O)(=O)c1ccc(C(=O)O[C@H](C)C(=O)Nc2ccc(Br)cc2F)cc1,C16950915_decoy,ITAL,Decoy,0,-8.00499,-5.67,-1.94,-7.630022296499508
O=C(C[C@H](NS(=O)(=O)c1ccc(Cl)cc1)c1ccccc1)Nc1nnc(C(F)(F)F)s1,C54200775_decoy,ITAL,Decoy,0,-8.50138,-9.07,-1.85,-8.974860152404782
O=C(C[C@@H]1S/C(=N/N=C/c2cn(Cc3ccccc3)c3ccccc23)NC1=O)Nc1ccccc1,C16115420_decoy,ITAL,Decoy,0,-9.06968,-7.87,-3.4,-7.01282845502068
CCOc1ccccc1NC(=O)C(=O)N/N=C/c1cc(C)n(-c2cccc(Br)c2)c1C,C58913782_decoy,ITAL,Decoy,0,-8.0416,-7.98,-2.4,-7.257540551996586
CCOC(=O)c1c(NC(=O)CSC2=NC(=O)C[C@H](c3ccccc3)N2)sc2c1CCCCCC2,C59941740_decoy,ITAL,Decoy,0,-8.10441,-7.78,-2.21,-7.248792597846399
CCOc1ccc(-c2csc(/C(C#N)=C/c3ccc(Cl)cc3Cl)n2)cc1,C04010385_decoy,ITAL,Decoy,0,-9.48625,-5.39,-1.73,-6.340622426822211
Cc1ccc(-n2c(Cc3ccccc3)nnc2SCc2ccc(Cl)cc2)cc1,C04144652_decoy,ITAL,Decoy,0,-8.98215,-9.16,-3.61,-8.45411634383591
C=CCn1c(SCc2ccc(F)cc2)nc2sc3c(c2c1=O)CC[C@H](C)C3,C04288395_decoy,ITAL,Decoy,0,-8.71198,-4.96,-1.92,-5.868349118333752
CC(C)(C)c1ccc(CSc2nnc(C3CCCCC3)n2-c2ccccc2)cc1,C02074125_decoy,ITAL,Decoy,0,-8.95697,-7.85,-3.07,-7.8124779123471555
Cc1ccc(-n2c(SCc3ccc(F)c(F)c3)nnc2-c2cccc(C)c2)cc1,C04365642_decoy,ITAL,Decoy,0,-8.35998,-10.52,-2.44,-9.1797562179729
CCCC(=O)N(c1ccc(F)cc1)c1nc(-c2ccc(Cl)cc2)c(CC)s1,C02170660_decoy,ITAL,Decoy,0,-8.38583,-8.71,-2.97,-9.080744674983755
C=C(C)Cn1c(SCCCC)nc2c(c1=O)C1(CCCCC1)Cc1ccccc1-2,C02334286_decoy,ITAL,Decoy,0,-9.29246,-7.77,-3.53,-11.263038330263306
CCS[P@]1(=O)C=C(c2ccccc2)N(c2ccccc2)N=C1c1ccccc1,C04837293_decoy,ITAL,Decoy,0,-7.12172,-9.29,-2.87,-7.821175788612821
CN(C)c1ccc(C(=C(c2ccccc2)c2ccccc2)c2ccc(N(C)C)cc2)cc1,C01708326_decoy,ITAL,Decoy,0,-7.93939,-4.06,-3.4,-4.790459830801551
CCCCCCOc1ccc2c(C)c(C)c(=O)oc2c1I,C02377740_decoy,ITAL,Decoy,0,-7.99983,-6.67,-2.7,-8.651928066308546
C=CCSc1nc(SC)nc2c1sc1nc(CC(C)C)c3c(c12)CCC3,C05111235_decoy,ITAL,Decoy,0,-10.4585,-5.62,-2.83,-6.785416303240129
CC(=O)N(c1nc(CSc2ccc(F)cc2)cs1)c1c(C)cc(C)cc1C,C05204407_decoy,ITAL,Decoy,0,-8.65744,-8.13,-2.37,-8.06531536137438
Cc1ccc(-c2csc3ncnc(SCC(=O)c4ccc(Cl)cc4)c23)cc1C,C01935872_decoy,ITAL,Decoy,0,-10.2788,-9.33,-2.94,-9.913405991175052
C#CCn1/c(=N\C(=O)CCCSc2ccc(C)cc2)sc2cc(F)cc(F)c21,C09474080_decoy,ITAL,Decoy,0,-8.6434,-8.01,-1.63,-9.335476580737406
CSCCn1/c(=N/C(=O)CSc2ccc(F)cc2)sc2cc(F)ccc21,C09563498_decoy,ITAL,Decoy,0,-9.30305,-7.29,-2.43,-8.887255227354942
CSc1cccc2sc(N(Cc3ccccc3)C(=O)Cc3ccc(F)cc3)nc12,C10819245_decoy,ITAL,Decoy,0,-9.20136,-8.39,-2.43,-9.485589308744617
COc1cc(/C=C(/C#N)c2ccc(Cl)cc2)cc(Br)c1OC(C)C,C12382735_decoy,ITAL,Decoy,0,-8.67411,-6.94,-1.91,-7.361393455469094
Cc1cc(Br)ccc1OCC(=O)Oc1ccc(C(C)(C)C)cc1Br,C12491645_decoy,ITAL,Decoy,0,-8.53131,-8.17,-3.08,-9.104335227685842
N#C/C(=C\c1c(-c2ccccc2)n(-c2ccccc2)c2ccccc12)C(=O)c1ccccc1,C12620428_decoy,ITAL,Decoy,0,-8.09436,-8.6,-3.72,-8.279504335281597
CCn1c2ccccc2c2cc(/N=C/c3cc(Br)ccc3OC(F)F)ccc21,C06179997_decoy,ITAL,Decoy,0,-8.44693,-7.78,-1.01,-7.40185059862701
Cc1cc(-c2csc(N(c3ccccc3)c3ccccc3)n2)c(C)n1-c1ccccc1,C03207116_decoy,ITAL,Decoy,0,-7.77309,-9.15,-2.29,-10.235855402652705
CCSc1nnc(-c2ccc(C(C)(C)C)cc2)n1-c1ccc(Br)cc1,C03353656_decoy,ITAL,Decoy,0,-9.09913,-8.54,-3.57,-8.574268743160134
Clc1cccc(Cl)c1Cn1c(SCc2ccccc2)nc2ccccc21,C05238754_decoy,ITAL,Decoy,0,-9.43927,-9.72,-1.9,-10.264864137049775
CCCCOc1ccc(-c2csc3nc4cc(Br)ccc4n23)cc1,C05318088_decoy,ITAL,Decoy,0,-8.22749,-6.95,-2.34,-6.400902784552136
Cc1ccc(-n2c(SCc3ccc(F)cc3F)nnc2-c2ccccc2F)cc1,C04212775_decoy,ITAL,Decoy,0,-9.07635,-9.78,-2.44,-9.368643628021411
O=c1c2c3c(sc2nc(SCc2ccccc2)n1CCc1ccccc1)CCCC3,C01762551_decoy,ITAL,Decoy,0,-9.23425,-7.99,-4.89,-8.079643837542664
Cc1ccc(OCC(=O)Oc2ccc(C(C)C)cc2Br)c(Br)c1,C13982310_decoy,ITAL,Decoy,0,-8.04575,-9.64,-4.47,-8.932397862007798
c1ccc(C[C@@](Sc2ccccc2)(c2ccccc2)n2nnc3ccccc32)cc1,C15771566_decoy,ITAL,Decoy,0,-8.11407,-9.65,-2.55,-10.866494226114616
COc1cc2c(c(OC)c1OC)C(c1ccccc1)(c1ccccc1)C[C@H]2c1ccccc1,C15776272_decoy,ITAL,Decoy,0,-7.4004,-5.08,-3.2,-5.50526200784718
Cc1cccc(CSc2ncnc3c2c(-c2ccccc2)cn3-c2ccccc2)c1,C16757543_decoy,ITAL,Decoy,0,-7.73067,-5.38,-1.66,-5.585447218769668
Cc1cccc(-n2cc(-c3ccccc3)c3c(SCc4cccc(F)c4)ncnc32)c1,C16757720_decoy,ITAL,Decoy,0,-7.91345,-9.14,-1.68,-7.991901397765645
FC(F)(F)c1ccc(SCc2csc(Cc3ccc(Cl)c(Cl)c3)n2)nc1,C23334140_decoy,ITAL,Decoy,0,-9.72795,-7.97,-3.23,-9.248424278271193
CCCn1c(SCc2ccc(C)cc2)nc2cc(-c3ccc(C)cc3)sc2c1=O,C33267985_decoy,ITAL,Decoy,0,-6.93818,-5.67,-3.29,-4.031269050657588
C[C@]12CCC[C@H]1[C@@H]1CC[C@@H]3C[C@H](OC(=O)OCC(Cl)(Cl)Cl)CC[C@]3(C)[C@@H]1CC2,C33757754_decoy,ITAL,Decoy,0,-9.18334,-5.29,-1.34,-6.138496297006651
COc1ccc(-c2cc3c(o2)CC(c2ccccc2)(c2ccccc2)CC3)cc1OC,C34765558_decoy,ITAL,Decoy,0,-8.56037,-9.87,-1.26,-16.1060177942771
C[C@@H](/C=C(\C#N)c1ccc(F)cc1)[C@@H](c1ccc(F)cc1)[C@@H](C#N)c1ccccc1,C35521342_decoy,ITAL,Decoy,0,-9.06567,-5.84,-2.82,-6.331692963365706
Cc1ccccc1-n1c(SCc2cc(F)ccc2F)nnc1C1CCCCC1,C35523665_decoy,ITAL,Decoy,0,-9.42707,-8.94,,99.0
C/C(=N/OCc1ccc(F)cc1)c1cc(-c2ccc(F)cc2)n(-c2ccccc2)c1C,C35843433_decoy,ITAL,Decoy,0,-7.66633,-9.26,-2.68,-7.837497125801739
C/C(=N/OCc1ccccc1C)c1cc(-c2ccc(F)cc2)n(-c2cccc(C)c2)c1C,C35843456_decoy,ITAL,Decoy,0,-7.38598,-10.19,-1.96,-8.067932407441406
Cc1nc(SCc2ccc(C(C)(C)C)cc2)n(C)c(=O)c1Cc1cccc(F)c1,C35844578_decoy,ITAL,Decoy,0,-8.17141,-7.32,-3.09,-6.872043949127402
CCc1ccc(COc2c(Br)cc(CBr)cc2OC)s1,C36815526_decoy,ITAL,Decoy,0,-9.6313,-7.23,-2.28,-8.636468499911729
Cc1cccc(Cn2c(C(=O)N(C)Cc3ccccc3)cc3sc(Br)cc32)c1,C37542390_decoy,ITAL,Decoy,0,-8.47953,-7.83,-1.71,-7.815249202139904
Cc1ccc(C)c2sc(N(Cc3ccccc3)C(=O)c3ccc(SC(C)C)cc3)nc12,C39735574_decoy,ITAL,Decoy,0,-8.66941,-9.46,-3.95,-9.1207617485142
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)COc2cc(C(C)(C)C)cc(C(C)(C)C)c2)C1,C03329455_decoy,ITAL,Decoy,0,-7.6547,-7.14,-2.56,-6.637401424368378
CCn1c(SCc2cccc(C(F)(F)F)c2)nnc1-c1csc2c1CCCCC2,C39966367_decoy,ITAL,Decoy,0,-8.82117,-8.87,-2.34,-8.278641960701577
CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC(=O)C4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@@]21C,C04104774_decoy,ITAL,Decoy,0,-8.16988,-9.13,-3.54,-11.86068651363583
C=CCOc1ccc(/C=C2/C=C(c3ccc(C)cc3)OC2=O)cc1Br,C59425843_decoy,ITAL,Decoy,0,-8.08325,-5.14,-2.57,-5.043743563237415
C=Cc1ccc(COc2ccc3c(c2C)O/C(=C\c2ccc(Cl)cc2)C3=O)cc1,C41504332_decoy,ITAL,Decoy,0,-8.05115,-6.36,-3.81,-5.503340210613731
Cc1ccc(S[C@H]2N=C(c3ccccc3)N=C2/C=N/c2ccc(Cl)cc2)cc1,C63581449_decoy,ITAL,Decoy,0,-9.33102,-7.2,-1.62,-7.100379917804798
C[C@]12CC[C@H]3[C@@H](CCC4=CC(=O)CC[C@H]43)[C@@H]1CC[C@@H]2OC(=O)CCC1CCCC1,C08552456_decoy,ITAL,Decoy,0,-7.75533,-7.65,-3.45,-8.52495559676996
CCN1C(=O)/C(=C/c2cc(Br)ccc2OS(=O)(=O)c2ccc(C)cc2)SC1=S,C02961534_decoy,ITAL,Decoy,0,-8.56688,-8.02,-2.22,-8.892219328911528
Cc1sc2nc(SCC(=O)N(C)Cc3ccccc3)n(-c3ccccc3)c(=O)c2c1-c1ccccc1,C09041410_decoy,ITAL,Decoy,0,-8.11886,-7.85,-2.39,-8.572845886239532
CC(C)N1C(=O)/C(=C/c2c(Oc3ccc(Br)cc3)nc3ccccn3c2=O)SC1=S,C02204797_decoy,ITAL,Decoy,0,-10.1062,-5.02,-3.03,-5.954797691742916
CC1=NC2=C(C(=O)C[C@@H](c3cccs3)C2)[C@H](c2ccccc2F)C1C(=O)OCCOc1ccccc1,C09434953_decoy,ITAL,Decoy,0,-9.08374,-8.86,-3.25,-9.721614888687387
O=C(CCS(=O)(=O)c1ccc(Cl)cc1)N(Cc1ccccc1)c1nc2ccc(Cl)cc2s1,C09525327_decoy,ITAL,Decoy,0,-10.5365,-8.01,-3.17,-9.650707146363612
O=C(CS(=O)(=O)c1ccccc1)N(Cc1ccccc1)c1nc2ccc(Br)cc2s1,C09525465_decoy,ITAL,Decoy,0,-9.09367,-8.06,-2.46,-8.213783994456527
Cc1ccc2sc(N(Cc3ccccc3)C(=O)CCCS(=O)(=O)c3ccc(F)cc3)nc2c1C,C09915369_decoy,ITAL,Decoy,0,-9.03361,-9.05,-2.42,-8.503636364963418
CSc1ccc2nc(N(CCc3cccs3)C(=O)Cc3ccc(S(C)(=O)=O)cc3)sc2c1,C10097922_decoy,ITAL,Decoy,0,-11.2196,-6.88,-2.44,-9.404549961785484
CCSc1cccc(C(=O)N(CCc2cccs2)c2nc3ccc(S(C)(=O)=O)cc3s2)c1,C10098110_decoy,ITAL,Decoy,0,-8.96815,-6.57,-4.21,-8.566774101827772
CCS(=O)(=O)c1ccc(CC(=O)N(Cc2ccccc2)c2nc3ccc(SC)cc3s2)cc1,C10830874_decoy,ITAL,Decoy,0,-9.1313,-8.32,-2.11,-9.556490311364596
COc1ccc(SCCC(=O)N(C[C@@H]2CCCO2)c2nc3ccc(Br)cc3s2)cc1,C11139376_decoy,ITAL,Decoy,0,-9.59422,-7.47,-2.74,-9.148441933512704
O=c1sc2ccccc2n1Cc1nnc(SCc2cccc(C(F)(F)F)c2)n1-c1ccccc1,C09382831_decoy,ITAL,Decoy,0,-8.00253,-9.02,-3.48,-7.708208651268235
CCOc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(C(C)C)cc1)cn2Cc1ccccc1Cl,C02693900_decoy,ITAL,Decoy,0,-9.44759,-5.27,-2.85,-6.085564582495347
COc1ccc(CN2C(=O)/C(=C/c3cn(-c4ccccc4)nc3-c3ccc(C)cc3)SC2=S)cc1,C01763474_decoy,ITAL,Decoy,0,-8.15683,-7.42,-3.07,-8.082931904851174
C=CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1,C13800531_decoy,ITAL,Decoy,0,-6.44141,-7.14,-3.47,-4.513880269121608
CC1=NC2=C(C(=O)C[C@H](c3cccs3)C2)[C@@H](c2ccc(C(F)(F)F)cc2)C1C(=O)OC[C@H]1CCCO1,C15277538_decoy,ITAL,Decoy,0,-10.1739,-8.89,-2.81,-11.135219583444949
COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)C(=O)c1ccc(F)cc1,C16487990_decoy,ITAL,Decoy,0,-9.39801,-7.5,-2.42,-8.7571386210723
CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(Cl)cc1)S(=O)(=O)c1ccc(C)cc1,C16490390_decoy,ITAL,Decoy,0,-10.0191,-8.95,-2.37,-11.727240326351303
CC(C)CN(Cc1ccc(OS(=O)(=O)c2ccc(F)cc2)cc1)C(=O)c1ccc(Cl)c(Cl)c1,C16497574_decoy,ITAL,Decoy,0,-7.10395,-7.65,-3.59,-6.862559967274074
CCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccc(C)cc1)S(=O)(=O)c1ccc(Cl)cc1,C16509091_decoy,ITAL,Decoy,0,-10.2621,-9.25,-2.76,-11.383866927259003
C[C@H]1C[C@H](C)CN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(Cc3ccc(F)cc3)C2=O)C1,C16733623_decoy,ITAL,Decoy,0,-8.17105,-4.9,-2.34,-5.318542408127024
CSc1ccc2cc(CN(Cc3ccco3)C(=O)c3ccc(C(F)(F)F)cc3)c(N(C)C)nc2c1,C20149593_decoy,ITAL,Decoy,0,-8.17912,-8.93,-4.07,-8.881777979008787
Cc1ccc2nc(N3CCC(C)CC3)c(/C=C3/SC(=S)N(CCc4ccccc4)C3=O)c(=O)n2c1,C33333837_decoy,ITAL,Decoy,0,-9.05802,-6.85,-4.05,-6.98850852876249
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)cc1C,C33351046_decoy,ITAL,Decoy,0,-7.49476,-7.75,-1.62,-7.656180076404733
CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2ccc(OCc3ccc(C)cc3)cc2)SC1=S,C33366044_decoy,ITAL,Decoy,0,-8.58551,-8.48,-3.06,-7.644093012605848
Cc1ccc2nc(N3CCCCCC3)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(=O)n2c1,C33473041_decoy,ITAL,Decoy,0,-8.46882,-6.66,-3.31,-6.245139719741985
CCOc1ccc(-c2nn(-c3ccccc3)cc2/C=C2/SC(=S)N(Cc3ccccc3)C2=O)c(C)c1,C33571984_decoy,ITAL,Decoy,0,-7.46059,-6.44,-3.36,-6.765468462780179
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@@H]1c1ccc(F)cc1)C(=O)c1ccccc1F,C33683953_decoy,ITAL,Decoy,0,-5.32385,-7.54,-3.19,-6.309264490331261
Cc1c(/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c(N2C[C@@H](C)C[C@H](C)C2)n(C)c(=O)c1C#N,C33812208_decoy,ITAL,Decoy,0,-7.55588,-5.0,-3.98,-4.9180814740149055
CC1(C)[C@H]2CC=C(CN(CCN3CCN(C(=O)c4ccccc4F)CC3)C(=O)Cc3ccccc3)[C@@H]1C2,C00744666_decoy,ITAL,Decoy,0,-7.73554,-6.85,-4.25,-6.318799272787835
CCCCN(CC(=O)N1c2ccccc2-n2cccc2[C@H]1c1ccc(F)cc1)C(=O)c1cccc(F)c1,C35707044_decoy,ITAL,Decoy,0,-9.18274,-9.07,,99.0
COCCCN(CC(=O)N1CCc2sccc2[C@H]1c1ccccc1)C(=O)c1cccc2ccccc12,C35768008_decoy,ITAL,Decoy,0,-8.88916,-8.66,-1.99,-8.658084773068015
O=C(c1ccccc1F)N(CC(=O)N1CCc2sccc2[C@@H]1COc1ccc(Cl)cc1)C1CC1,C36115781_decoy,ITAL,Decoy,0,-8.42618,-8.48,-2.08,-8.067032930263506
CC[C@@H](C)N(CC(=O)N1CCc2sccc2[C@H]1COc1ccc(F)cc1)C(=O)c1cccc(F)c1,C36121455_decoy,ITAL,Decoy,0,-8.69708,-8.51,-2.11,-11.11626501703994
O=C1[C@@H]2C3c4ccccc4C(c4ccccc43)[C@@H]2C(=O)N1c1cccc(OS(=O)(=O)c2ccccc2)c1,C18247108_decoy,ITAL,Decoy,0,-8.69063,-10.35,-3.77,-9.91608696652098
CC(C)S(=O)(=O)c1cc2c(cc1Cc1ccccc1)CN(S(=O)(=O)C(C)C)C2=Cc1ccccc1,C39499775_decoy,ITAL,Decoy,0,-8.74384,-6.07,-2.79,-6.8605251852843
Cc1ccc2nc(N3CCC[C@@H](C)C3)c(/C=C3/SC(=S)N(Cc4ccccc4Cl)C3=O)c(=O)n2c1,C39729289_decoy,ITAL,Decoy,0,-7.51403,-5.06,-1.6,-4.970371767270517
CCCOc1ccc(CN(C(=O)c2sc3cc(Cl)ccc3c2Cl)[C@@H]2CCS(=O)(=O)C2)cc1,C39837406_decoy,ITAL,Decoy,0,-10.1311,-7.79,-2.29,-9.506823627577814
CCOCCCN1C(=O)/C(=C2\C(=O)N(Cc3ccccc3)c3ccc(Br)cc32)SC1=S,C02509069_decoy,ITAL,Decoy,0,-10.7613,-8.28,-1.97,-11.605491019400086
CCn1c(N2C[C@H](C)C[C@H](C)C2)c(/C=C2\SC(=S)N(C3CCCCC3)C2=O)c(C)c(C#N)c1=O,C39989778_decoy,ITAL,Decoy,0,-8.70096,-4.22,-2.99,-4.463207228506457
CSc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc1,C40056737_decoy,ITAL,Decoy,0,-9.82286,-5.61,-2.98,-5.416455317980214
O=C(c1ccccc1F)N(CCc1csc2nc(-c3ccc4ccccc4c3)cn12)Cc1ccco1,C40374448_decoy,ITAL,Decoy,0,-9.95194,-9.14,-1.7,-8.58407716362503
COC(=O)CCN1C(=O)/C(=C\c2cc(Br)ccc2OCc2ccccc2C)SC1=S,C40938002_decoy,ITAL,Decoy,0,-9.33492,-8.48,-2.85,-10.290328072564227
Cc1c(C(=O)N(Cc2ccc([C@H]3C[C@@H]3C)o2)[C@@H]2CCS(=O)(=O)C2)oc2ccc(Br)cc12,C47133098_decoy,ITAL,Decoy,0,-8.14046,-8.76,-3.31,-8.508902908431539
C=CCc1cc(/C=C(/C#N)C(=O)N(C)C)cc(OC)c1OCc1ccc(I)cc1,C59334858_decoy,ITAL,Decoy,0,-8.12837,-5.58,-2.73,-6.269891067318579
CCOc1ccc(N2C(=O)[C@H]3C4c5ccccc5C(/C=N/c5nccs5)(c5ccccc54)[C@H]3C2=O)cc1,C59382257_decoy,ITAL,Decoy,0,-8.4311,-4.97,-2.07,-5.36094646696195
CCOC(=O)/C(C#N)=C/c1cc(I)c(OCc2ccc(Cl)cc2)c(OC)c1,C59485118_decoy,ITAL,Decoy,0,-8.89725,-7.18,-3.66,-9.675309768186418
CCCCc1ccc(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C(=O)N(C)C2=S)cc1,C59595811_decoy,ITAL,Decoy,0,-9.58602,-6.36,-3.79,-6.626990526946739
Cc1ccc(S(=O)(=O)N2Cc3ccccc3C[C@@H]2C(=O)/N=C2/c3ccccc3CN2c2ccccc2)cc1,C03189663_decoy,ITAL,Decoy,0,-7.36217,-6.37,-4.46,-5.600842741741197
C[C@@H](Oc1c(F)c(F)c(F)c(F)c1F)C(=O)Oc1ccc2c(c1)O/C(=C\C=C\c1ccccc1)C2=O,C41350014_decoy,ITAL,Decoy,0,-8.95974,-9.67,-2.17,-7.441172891763222
FC(F)(F)c1cccc(N2CC[NH+](Cn3nc(-c4ccccc4)n(-c4ccccc4)c3=S)CC2)c1,C00716263_decoy,ITAL,Decoy,0,-8.07309,-7.81,-2.53,-8.411510743649334
O=C(c1ccccc1)c1c(O)n(-c2ccccc2)c2nc(-c3ccccc3)[n+]3c4ccccc4sc3c12,C03223899_decoy,ITAL,Decoy,0,-6.69144,-5.43,-2.95,-4.782826719149354
CN(C(=O)c1ccsc1)[C@@H](Cc1ccccc1F)C1CC[NH+](Cc2ccc3nsnc3c2)CC1,C11870853_decoy,ITAL,Decoy,0,-9.76931,-8.84,-2.49,-8.065758780263984
COCc1c(C(=O)N2CC[NH+](C3C4CC5CC(C4)CC3C5)CC2)c(=O)cc(C)n1Cc1cccc2ccccc12,C12005144_decoy,ITAL,Decoy,0,-10.1689,-7.05,-2.44,-7.652309298649491
Cc1ccc(C[NH+]2CCN(c3cccc4c3C(=O)N(Cc3ccc(C(F)(F)F)cc3)C4=O)CC2)s1,C12243390_decoy,ITAL,Decoy,0,-8.35468,-9.03,-3.51,-8.715281020719317
S=c1n(C[NH+]2CCC(c3nc4ccccc4s3)CC2)nc(-c2cccnc2)n1Cc1ccccc1,C13071573_decoy,ITAL,Decoy,0,-9.40985,-6.36,-3.16,-6.937674353450069
Cc1nn(C)c(C)c1[C@H](C)[NH+](C)Cc1cc2cc3c(cc2n(Cc2cccc(C(F)(F)F)c2)c1=O)CCC3,C14987722_decoy,ITAL,Decoy,0,-10.0334,-8.85,-2.54,-8.427687695329581
O=C1CC[C@@H]2C[NH+](Cc3cn(-c4ccccc4)nc3-c3ccccc3)CC[C@@H]2N1CCc1cccc(F)c1,C14993297_decoy,ITAL,Decoy,0,-9.5171,-7.84,-2.37,-7.479275179968832
C[C@]12CN3C[C@](C)(C[NH+](C1)[C@H]3c1ccc(OP(=O)(Oc3ccccc3)Oc3ccccc3)cc1)C2=O,C19320429_decoy,ITAL,Decoy,0,-8.25621,-5.39,-1.84,-5.849971969583839
COCCN1CC[NH+]([C@@H]2CCc3c(sc4ncn(Cc5cc6ccccc6s5)c(=O)c34)C2)CC1,C23339720_decoy,ITAL,Decoy,0,-8.75019,-5.55,-2.27,-5.427675692851437
S=c1n(C[NH+]2CCC(c3nc4ccccc4o3)CC2)nc(COc2ccccc2Cl)n1C1CC1,C23384962_decoy,ITAL,Decoy,0,-8.8911,-7.86,-4.46,-8.428483452509164
COc1ccccc1Cn1c(=O)c2ccccc2n2c(=S)n(C[NH+](C)[C@H]3CCc4ccccc43)nc12,C25453092_decoy,ITAL,Decoy,0,-10.3762,-9.78,-2.54,-9.835375903999056
CCC[NH+]1CCN(c2ncnc3sc(C(=O)N4CCN(c5ccc(Cl)cc5)CC4)c(C)c23)CC1,C33048405_decoy,ITAL,Decoy,0,-9.33211,-5.42,-3.2,-7.8327162640171935
O=C(Cn1c(N2CC[NH+](Cc3ccccc3)CC2)nc2sc3c(c2c1=O)CCCC3)N1CCCCC1,C34747278_decoy,ITAL,Decoy,0,-7.41759,-5.41,-2.13,-4.254418757395476
O=C(Cn1c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2sc3c(c2c1=O)CCCC3)N1CCCC1,C34747317_decoy,ITAL,Decoy,0,-8.12495,-5.12,-3.49,-5.155436048907285
CCN(CC)C(=O)C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2Cc2ccc(C)cc2C)CCCC4)CC1,C34747461_decoy,ITAL,Decoy,0,-8.15201,-6.69,-2.37,-6.724059170126261
CCN(CC)C(=O)C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2Cc2cc(C)ccc2C)CCC4)CC1,C34748038_decoy,ITAL,Decoy,0,-8.42571,-7.21,-2.35,-8.696975939909752
CCN(CC)C(=O)C[NH+]1CCN(c2nc3sc(C)c(C)c3c(=O)n2Cc2ccc(Cl)cc2)CC1,C34748662_decoy,ITAL,Decoy,0,-7.45211,-6.33,-2.65,-8.016775224341341
CCc1c(C)sc2nc(N3CC[NH+](CC(=O)N4CCCC4)CC3)n(Cc3ccc(C)cc3C)c(=O)c12,C34749402_decoy,ITAL,Decoy,0,-8.35843,-6.77,-3.63,-6.88345710402711
CCCSc1nc(N2CC[NH+](CC(=O)N3CCCCC3)CC2)c2c3c(sc2n1)COC(C)(C)C3,C34749975_decoy,ITAL,Decoy,0,-8.78918,-4.75,-1.64,-4.895651025089796
CCc1c(C)sc2nc(SCC(=O)N(C)C)nc(N3CC[NH+](Cc4ccc(C)cc4C)CC3)c12,C34762284_decoy,ITAL,Decoy,0,-8.38946,-6.21,-1.73,-6.689983272274972
O=C(CC[NH+]1CCc2sccc2[C@H]1c1ccccc1)N1CCCN(S(=O)(=O)c2ccccc2)CC1,C34830599_decoy,ITAL,Decoy,0,-8.9572,-8.16,-1.87,-9.644943879775797
Cc1ccc(C[n+]2c(-c3cccc(S(=O)(=O)N4C[C@H](C)C[C@@H](C)C4)c3)csc2Nc2ccccc2)cc1,C35447847_decoy,ITAL,Decoy,0,-9.81462,-5.07,-2.58,-6.017924457773059
CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1ccc(I)cc1,C35483203_decoy,ITAL,Decoy,0,-9.94867,-5.47,-2.93,-7.339624643503543
Cc1cc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCC[C@@H](C)C4)cc3)nc2c1,C36637654_decoy,ITAL,Decoy,0,-8.8236,-8.36,-1.99,-10.14891198698187
Cc1cc(C)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N4CCCC[C@H]4C)cc3)nc2c1,C36637656_decoy,ITAL,Decoy,0,-8.58375,-8.14,-2.69,-9.547244857055295
C[NH+](C)CCCn1c(SCC(=O)N2CCc3ccccc3C2)nc2sc3c(c2c1=O)CCCC3,C36803023_decoy,ITAL,Decoy,0,-8.90389,-7.94,-3.49,-7.538756838831301
COc1ccc([C@H]2CC([C@H]3C(=O)[NH+]=c4ccc(Cl)cc4=C3c3ccccc3)=NN2S(C)(=O)=O)cc1,C38610501_decoy,ITAL,Decoy,0,-7.90742,-8.94,-2.12,-7.822777791997712
Cc1c(Cl)ccc2sc(N(CC[NH+](C)C)C(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc12,C36660385_decoy,ITAL,Decoy,0,-9.56799,-7.45,-3.28,-8.656842531231877
C[NH+](C)CCN(C(=O)C1c2ccccc2Oc2ccccc21)c1nc2c(S(C)(=O)=O)cccc2s1,C38845885_decoy,ITAL,Decoy,0,-9.01682,-5.34,-2.61,-5.777463912789819
Cc1cc(C)c2nc(N(CC[NH+](C)C)C(=O)C3CCN(S(=O)(=O)c4ccc(F)cc4)CC3)sc2c1,C38847378_decoy,ITAL,Decoy,0,-8.81075,-9.32,-2.46,-8.47142685995493
O=C1[NH+]=c2cc3c(cc2=C[C@H]1CN(CCc1ccccc1)S(=O)(=O)c1ccc(Cl)cc1)OCO3,C39325417_decoy,ITAL,Decoy,0,-9.26466,-9.81,-2.18,-9.86751581418824
Cc1ccccc1CCN(C[C@@H]1C=c2cccc(C)c2=[NH+]C1=O)S(=O)(=O)c1ccc2c(c1)OCCO2,C39325420_decoy,ITAL,Decoy,0,-8.5801,-9.85,-2.1,-8.82245299446394
Cc1ccccc1CCN(C[C@H]1C=c2cccc(C)c2=[NH+]C1=O)S(=O)(=O)c1ccc2c(c1)OCCO2,C39325421_decoy,ITAL,Decoy,0,-7.96909,-8.84,-1.91,-8.244133290556618
Cc1cccc(CCN(C[C@@H]2C=c3ccc(C)cc3=[NH+]C2=O)S(=O)(=O)c2ccc3c(c2)OCCO3)c1,C39325452_decoy,ITAL,Decoy,0,-9.48207,-9.91,-2.7,-8.882118279456023
CCn1nc(C(=O)N2CCSCC2)c2c1CC[C@@H](N1CC[NH+](C3C4CC5CC(C4)CC3C5)CC1)C2,C23353515_decoy,ITAL,Decoy,0,-8.99828,-6.41,-3.32,-6.238628890662826
COC(=O)c1ccc(CSC2=NC3=c4ccccc4=[NH+][C@H]3C(=O)N2c2cccc(C(F)(F)F)c2)o1,C39360885_decoy,ITAL,Decoy,0,-7.66558,-9.7,-1.65,-8.52766792000765
COc1ccc(-c2cc3c(c(OC)c2)OCC[NH+](C[C@@H]2C=NN=C2c2ccc(Cl)cc2)C3)cc1OC,C39420929_decoy,ITAL,Decoy,0,-8.32108,-7.19,-1.9,-7.325662668645724
CC(=O)N1N=C([C@@H]2C(=O)[NH+]=c3ccc(Br)cc3=C2c2ccccc2)C[C@H]1c1ccc(F)cc1,C39706805_decoy,ITAL,Decoy,0,-8.42351,-7.25,-3.15,-8.521572401515959
O=S(=O)(c1ccc(F)cc1)c1nc(-c2ccccc2F)oc1N1CC[NH+](Cc2ccccc2)CC1,C39845766_decoy,ITAL,Decoy,0,-9.20822,-9.54,-2.25,-8.70639777313202
CC[NH+](CC)CCN(C(=O)[C@H]1Oc2ccccc2O[C@@H]1C)c1nc2ccc(Br)cc2s1,C36642470_decoy,ITAL,Decoy,0,-10.0322,-7.0,-2.56,-10.305760968372391
O=C(OC[C@@H]1CCC[NH+]2CCCC[C@@H]12)c1nn2c(C(F)(F)F)cc(-c3ccco3)nc2c1Br,C01421912_decoy,ITAL,Decoy,0,-7.43154,-8.59,-1.55,-6.925907088933901
COc1cccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCC4=CCCCC4)CC(=O)N23)c1OC,C63138257_decoy,ITAL,Decoy,0,-7.7531,-5.37,-2.24,-4.359379890950068
COc1ccc(CCN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@@H]3c3ccc(OC)cc3)C2=O)cc1,C63139891_decoy,ITAL,Decoy,0,-8.1801,-6.01,-2.1,-6.262785212382092
COC(=O)c1ccc([C@@H]2[C@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCC4=CCCCC4)CC(=O)N23)cc1,C63142287_decoy,ITAL,Decoy,0,-7.71007,-8.81,-2.78,-7.585842895606862
CC1(C)C[C@@H]2C[C@@](C)(CN2S(=O)(=O)c2cccc(C(=O)OCC(=O)C3=c4ccccc4=[NH+]C3)c2)C1,C39944926_decoy,ITAL,Decoy,0,-8.49544,-8.97,-2.33,-7.740257516927498
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccccc3)N2C(=O)CN1/N=C/c1ccc(Cl)cc1Cl,C63351456_decoy,ITAL,Decoy,0,-8.8643,-9.85,-3.78,-7.713998806510329
COc1ccc(CCN2CC(=O)N3C[C@H](c4ccccc4OC)C4=c5ccccc5=[NH+][C@H]4[C@@]3(C)C2=O)cc1,C63372816_decoy,ITAL,Decoy,0,-6.03374,-5.68,-3.35,-4.784563013650144
COc1cc([C@H]2CN3C(=O)CN(C4CCCC4)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C32)ccc1OC(C)C,C63375007_decoy,ITAL,Decoy,0,-8.87459,-5.0,-2.36,-5.191712865700045
COc1cc([C@H]2CN3C(=O)CN(CCC(C)C)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C32)ccc1OC(C)C,C63375133_decoy,ITAL,Decoy,0,-8.58405,-5.57,-3.53,-6.880548463501619
CC(C)[C@H](C(=O)OCc1ccccc1)[NH+]1COc2ccc3c(-c4ccccc4)cc(=O)oc3c2C1,C02999088_decoy,ITAL,Decoy,0,-7.69349,-8.1,-3.96,-6.754789677260236
CCOC(=O)c1c(C[NH+]2CCCC[C@@H]2C)n(-c2ccccc2)c2cc(Br)c(OC)cc12,C02192333_decoy,ITAL,Decoy,0,-5.98193,-7.22,-1.96,-6.583190005139912
COc1ccc([C@H](CN2C(=O)[C@H](C)S[C@@H]2c2ccc(Br)s2)[NH+]2CCCC2)cc1,C08881275_decoy,ITAL,Decoy,0,-8.3153,-7.44,-2.52,-7.8208443609930205
O=C(CSc1nnc(C[NH+]2CCCC2)n1-c1ccccc1)N(c1ccccc1)C1CCCCC1,C08725955_decoy,ITAL,Decoy,0,-9.08079,-8.75,-2.12,-8.667104633215013
CC(=O)[C@@H]1[C@H](C)C[C@H]2[C@@H]3CC=C4C[C@H](OC(=O)CC[NH+]5CCOCC5)CC[C@]4(C)[C@@H]3CC[C@]12C,C09034046_decoy,ITAL,Decoy,0,-6.74261,-4.66,-2.41,-5.26468840837422
O=c1cc(C[NH+]2CCN(c3ccccc3F)CC2)occ1OC(c1ccccc1)c1ccccc1,C09286469_decoy,ITAL,Decoy,0,-8.90474,-9.46,-4.72,-7.41212548592642
COc1ccc(C(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(C)cc4C)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[NH+]23)cc1,C09379695_decoy,ITAL,Decoy,0,-7.17429,-7.12,-2.42,-5.822014408872947
C[C@@H](c1nnc(SCC(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)n1-c1ccc(Cl)cc1)[NH+](C)C,C09662066_decoy,ITAL,Decoy,0,-9.36049,-6.88,-2.05,-7.26236760569373
O=C1N=C(N2CC[NH+](C(c3ccccc3)c3ccccc3)CC2)S/C1=C\c1ccccc1Cl,C09762141_decoy,ITAL,Decoy,0,-8.84825,-8.07,-2.57,-7.0535608373093766
Cc1ccc(C)c2sc(N(CC[NH+]3CCOCC3)C(=O)c3ccc(Br)s3)nc12,C10047173_decoy,ITAL,Decoy,0,-10.5752,-9.35,,99.0
COc1ccc(OC)c2sc(N(CC[NH+](C)C)C(=O)c3ccc(Br)s3)nc12,C10066287_decoy,ITAL,Decoy,0,-9.62253,-6.41,-1.68,-11.489368680047114
CC[NH+](CC)CCN(C(=O)c1cccc(Br)c1)c1nc2cc3c(cc2s1)OCCO3,C10066906_decoy,ITAL,Decoy,0,-8.43909,-4.28,-1.56,-5.103282812891468
COc1cccc(-c2cnc(-c3ccncc3)nc2C2CC[NH+](Cc3ccc(N(C)C)cc3)CC2)c1,C11912583_decoy,ITAL,Decoy,0,-8.16835,-5.77,-2.22,-6.435123826033418
O=c1c(C[NH+]2CCC[C@H](c3nc(-c4ccncc4)ncc3-c3ccccc3)C2)coc2ccccc12,C12023484_decoy,ITAL,Decoy,0,-6.94244,-5.54,-2.99,-4.960717823406687
Cn1cnnc1Sc1ccc(C[NH+]2CCOc3ccc(C4=Cc5ccccc5CC4)cc3C2)o1,C12128757_decoy,ITAL,Decoy,0,-8.31781,-7.83,-1.91,-6.5681478604678
O=C1CC[C@@H]2C[NH+](Cc3ccc(-c4ccccc4Cl)o3)CC[C@@H]2N1CCc1cccc(F)c1,C12218410_decoy,ITAL,Decoy,0,-7.61097,-10.11,-1.59,-7.947025636733658
CC(=O)[C@@H]1[C@H](C)C[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCOCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C,C12661859_decoy,ITAL,Decoy,0,-8.32358,-5.28,-1.97,-5.768114984724495
CCN1C(=O)N(Cc2cccc3ccccc23)C(=O)C12CC[NH+](Cc1ccc(SC)cc1)CC2,C14531116_decoy,ITAL,Decoy,0,-7.66133,-7.19,-2.28,-7.55313003564436
COc1ccc(F)c(C[NH+]2CCC([C@H](Cc3ccccc3)N(C)C(=O)c3cc(C)nn3C)CC2)c1,C14991768_decoy,ITAL,Decoy,0,-7.53693,-9.01,-3.31,-7.831738575243347
COc1cc(C2SCCS2)ccc1Oc1nc(C[NH+]2CCCC2)nc2sc(C)c(C)c12,C15171374_decoy,ITAL,Decoy,0,-8.81715,-4.73,-2.3,-5.669142982659159
Cc1ccc(-c2nn(C[NH+](C)Cc3c(C)nn(Cc4ccccc4Cl)c3C)c(=S)n2C)cc1,C23245532_decoy,ITAL,Decoy,0,-7.83236,-8.45,-3.47,-8.273417364434192
c1csc(-c2nc(N3CCN(Cc4cn5ccccc5[nH+]4)CC3)c3c4c(sc3n2)CCC4)c1,C12525250_decoy,ITAL,Decoy,0,-7.92811,-5.61,-2.85,-4.610020802722156
O=C(Oc1ccc(/C=[NH+]/[C@@H]2CCS(=O)(=O)C2)cc1)c1sc2cccc(Cl)c2c1Cl,C26965896_decoy,ITAL,Decoy,0,-9.00959,-8.42,-1.77,-9.86344659782733
Cc1ccc(-c2nn(C[NH+]3CCC(c4nc5ccccc5s4)CC3)c(=O)c3ccccc23)cc1,C31732603_decoy,ITAL,Decoy,0,-8.76467,-9.52,,99.0
Cc1sc2nc(C[NH+]3CCC(C)CC3)nc(N3CCCN(C(=O)C4CCCC4)CC3)c2c1C,C32826143_decoy,ITAL,Decoy,0,-8.08729,-5.27,-2.71,-4.762312070089152
CCn1c(N2CC[NH+](Cc3ccc(Cl)cc3)CC2)nc2sc3c(c2c1=O)CC(C)(C)OC3,C34734861_decoy,ITAL,Decoy,0,-8.79374,-6.11,-4.0,-5.473643712923482
CCn1c(N2CC[NH+](Cc3cc(C)ccc3C)CC2)nc2sc3c(c2c1=O)CC(C)(C)OC3,C34734893_decoy,ITAL,Decoy,0,-8.73891,-8.62,-2.28,-6.870476413581818
CCc1c(C)sc2nc(Cc3ccccc3)nc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)c12,C34760767_decoy,ITAL,Decoy,0,-9.16766,-5.5,-1.63,-6.739968906481029
CCc1c(C)sc2nc(SCC(C)C)nc(N3CC[NH+](CC(=O)N4CCCCC4)CC3)c12,C34761504_decoy,ITAL,Decoy,0,-9.77695,-5.4,-2.63,-7.913377329751163
CC[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(C)cc1)N(CC[NH+](C)C)C(=O)c1ccccc1C,C35058787_decoy,ITAL,Decoy,0,-8.94791,-8.09,-4.29,-8.95781360847594
CC[NH+](CC)CCN1C(=O)c2oc3ccccc3c(=O)c2[C@H]1c1cccc(Oc2ccccc2)c1,C35483168_decoy,ITAL,Decoy,0,-9.6298,-5.4,-2.02,-6.338578513704329
CC(C)CCOc1cccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2CC[NH+](C)C)c1,C35486862_decoy,ITAL,Decoy,0,-8.47264,-6.46,-3.17,-7.573121211759626
CCOC(=O)[C@@H]1CCC[NH+](CC(=O)N2N=C(c3cc(C)ccc3C)C[C@H]2c2cc(C)ccc2C)C1,C35787430_decoy,ITAL,Decoy,0,-7.29798,-9.78,-1.91,-9.272257182253934
COc1ccc(C[NH+]2CCC(N(c3cccc(OC)c3)S(=O)(=O)c3ccccc3)CC2)cc1,C35831022_decoy,ITAL,Decoy,0,-9.18894,-8.73,-3.54,-9.512111012193415
Cc1cccc(C[NH+]2CCCN(c3nc(Cc4ccccc4)nc4c3cnn4-c3ccccc3)CC2)c1,C35925678_decoy,ITAL,Decoy,0,-8.16806,-6.62,-2.62,-5.899457977419272
C[NH+](C)CCN1C(=O)c2oc3c(ccc4ccccc43)c(=O)c2[C@@H]1c1cccc(Br)c1,C38712794_decoy,ITAL,Decoy,0,-9.81463,-4.79,-3.34,-5.466790844247826
CC[NH+](CC)CCCN1C(=O)c2oc3cc(C)c(Cl)cc3c(=O)c2[C@H]1c1cccc(Cl)c1,C38714781_decoy,ITAL,Decoy,0,-7.94052,-6.16,-1.54,-6.450411723499189
CC[NH+](CC)CCN(C(=O)[C@H]1CC(=O)N(c2ccc(F)cc2)C1)c1nc2cc(C)cc(C)c2s1,C36641337_decoy,ITAL,Decoy,0,-8.33996,-7.7,-2.41,-8.10482218660015
c1ccc(CCc2nc3cccnc3n2C2CCN(C3CC[NH+](Cc4ccccc4)CC3)CC2)cc1,C14995851_decoy,ITAL,Decoy,0,-8.86432,-5.88,-2.66,-6.801820454947929
Cc1ccccc1-c1nnc(C[NH+]2CCC(C(=O)N(Cc3ccccc3)Cc3ccccc3)CC2)o1,C41268567_decoy,ITAL,Decoy,0,-8.52729,-6.17,-2.78,-5.871375830371982
CCO/N=C(/c1ccc(C[NH+]2CCC3(CC2)OCc2cc(F)ncc23)cc1)c1ccc(F)c(F)c1,C45259939_decoy,ITAL,Decoy,0,-8.35938,-8.98,-4.87,-6.868380432831549
Cc1ccc2c(c1)[C@H]1C[NH+](C)CC[C@H]1N2C(=O)COc1ccc(N(C)C(=O)c2ccccc2)cc1,C03237274_decoy,ITAL,Decoy,0,-8.02732,-5.48,-3.54,-5.34286179736978
COc1ccc(CCN2CC(=O)N3[C@H](c4ccc(C)cc4)[C@H]4[NH+]=c5ccccc5=C4C[C@H]3C2=O)cc1,C63138000_decoy,ITAL,Decoy,0,-7.50353,-8.72,-1.55,-7.426234738686201
COc1ccc(CCN2CC(=O)N3[C@@H](CC4=c5ccccc5=[NH+][C@@H]4[C@@H]3CCc3ccccc3)C2=O)cc1,C63140095_decoy,ITAL,Decoy,0,-8.37412,-8.44,-1.38,-9.478182811763352
Cc1ccccc1[C@H]1[C@H]2[NH+]=c3ccccc3=C2C[C@H]2C(=O)N(CCc3ccccc3F)CC(=O)N21,C63140410_decoy,ITAL,Decoy,0,-6.61148,-8.1,-1.01,-4.67422545871611
COc1ccc([C@@H]2[C@@H]3[NH+]=c4ccccc4=C3C[C@H]3C(=O)N(CCCc4ccccc4)CC(=O)N23)cc1,C63141096_decoy,ITAL,Decoy,0,-9.26957,-8.47,-4.12,-8.197796372229446
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](CCc3ccccc3)N2C(=O)CN1CCc1ccc(F)cc1,C63141364_decoy,ITAL,Decoy,0,-9.06756,-9.24,-4.24,-8.188449035342781
CC1=C(C(=O)COC(=O)C2=c3ccccc3=[NH+]C(=O)C2)C[C@@H](C)N1c1ccc(Br)cc1,C39946398_decoy,ITAL,Decoy,0,-7.44225,-5.89,-1.65,-5.178993107149486
COc1ccc([C@H]2CN3C(=O)CN(Cc4ccc(C)cc4)C(=O)[C@]3(C)[C@@H]3[NH+]=c4ccccc4=C32)cc1,C63374438_decoy,ITAL,Decoy,0,-7.95806,-6.99,-3.18,-6.05197536098295
Cn1c(=O)c2c(-c3ccc(Cl)cc3Cl)n(CCC3=c4ccccc4=[NH+]C3)cc2n(C)c1=O,C63493776_decoy,ITAL,Decoy,0,-9.27464,-10.24,,99.0
O=S(=O)(c1ccc(F)cc1)c1nc(-c2cccs2)oc1N1CC[NH+](Cc2ccccc2)CC1,C06174002_decoy,ITAL,Decoy,0,-9.04179,-8.58,-3.41,-8.07479397186295
C[C@H](c1nnc(SCc2cc(=O)n3ccsc3n2)n1-c1ccc(Cl)cc1)[NH+]1CCCCC1,C09126474_decoy,ITAL,Decoy,0,-9.39538,-7.85,-2.73,-7.498642053421544
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=C[NH+]2[C@@H]3C(=O)C(C)(C)C)c(Br)c1,C09497699_decoy,ITAL,Decoy,0,-7.4108,-6.8,-0.79,-5.41205290555382
O=S(=O)(c1ccc(Cl)s1)N1CC[NH+](Cc2csc(COc3ccc(F)cc3)n2)CC1,C09499900_decoy,ITAL,Decoy,0,-9.76688,-6.32,-3.56,-7.576827773618985
CC(C)c1nnc(Sc2nc(C[NH+]3CCOCC3)nc3sc4c(c23)CC[C@H](C)C4)n1C1CC1,C09516452_decoy,ITAL,Decoy,0,-10.0858,-5.0,-3.04,-6.722956132131029
O=S1(=O)CC[C@@H]([NH+]2CCN(c3nc(-c4cccnc4)nc4scc(-c5ccccc5)c34)CC2)C1,C09579961_decoy,ITAL,Decoy,0,-9.29293,-4.77,-2.02,-5.38982315888334
Cc1sc2nc(C[NH+]3CCCC3)nc(N3CCN(S(=O)(=O)/C=C/c4ccccc4)CC3)c2c1C,C09960250_decoy,ITAL,Decoy,0,-8.70445,-5.07,-2.7,-5.422967192599805
COc1ccc2c(CSc3nnc(C[NH+]4CCCCC4)n3-c3ccc(F)cc3)cc(=O)oc2c1,C09881347_decoy,ITAL,Decoy,0,-9.32151,-4.91,-3.21,-7.007450327745901
Cc1ccc(-c2nn(-c3ccccc3)cc2[C@@H]2CC(c3ccco3)=NN2C(=O)C[NH+]2CCCCC2)cc1,C10435185_decoy,ITAL,Decoy,0,-7.79198,-5.52,-2.64,-5.958251330268913
CN(C(=O)c1ccsc1)[C@H](Cc1ccccc1)C1CC[NH+](Cc2coc3ccccc3c2=O)CC1,C11998204_decoy,ITAL,Decoy,0,-8.7508,-5.14,-2.29,-5.6434403288326624
CCc1cc(C(=O)N2CCc3c(cc(-c4cccc(F)c4)c(=O)n3CC[NH+]3CCCCC3)C2)n(C)n1,C14536287_decoy,ITAL,Decoy,0,-8.42265,-6.66,-3.45,-6.444917647049316
COc1ccc2cc(C[NH+]3CCc4cc(OC)c(OC)cc4C3)c(=O)n(Cc3ccccc3F)c2c1,C14964449_decoy,ITAL,Decoy,0,-9.49324,-5.83,-2.75,-6.2761988330661405
C[C@H]1CCc2c(sc3nc(-c4cccnc4)nc(N4CC[NH+](CC(=O)N5CCCCC5)CC4)c23)C1,C16742663_decoy,ITAL,Decoy,0,-9.19507,-5.68,-2.16,-6.386672661389103
C=C(C)C[NH+]1CCN(S(=O)(=O)c2ccc(C)c(N(C)S(=O)(=O)c3ccc(C)cc3)c2C)CC1,C08399857_decoy,ITAL,Decoy,0,-7.43499,-7.73,-2.84,-8.33023276828026
CCOc1ccc2ncc(S(=O)(=O)c3ccccc3)c(N3CC[NH+](Cc4ccccc4)CC3)c2c1,C20382272_decoy,ITAL,Decoy,0,-7.4061,-5.77,-3.42,-5.893739687124637
Brc1ccccc1-c1nnc(CSc2nnc(C[NH+]3CCCC3)n2-c2ccccc2)o1,C21243544_decoy,ITAL,Decoy,0,-8.6965,-8.06,-1.82,-7.682699048966278
CCc1cc2c(=O)n(C[NH+]3CCN(Cc4csc(-c5ccc(OC)cc5)n4)CC3)cnc2s1,C22419769_decoy,ITAL,Decoy,0,-8.1331,-7.23,-1.57,-10.80997114648909
Cc1cc(C)c(S(=O)(=O)N2CC[NH+](CCn3nc(-c4ccc(F)cc4)ccc3=O)CC2)c(C)c1,C23245092_decoy,ITAL,Decoy,0,-8.82422,-8.67,,99.0
COc1cccc(S(=O)(=O)N2CC[NH+](Cc3cc4cc(-c5cccc(F)c5)ccc4o3)CC2)c1,C24914102_decoy,ITAL,Decoy,0,-7.71743,-8.69,-1.63,-6.612516728252055
CC[NH+]1CCN(c2nc(-c3ccccc3)nc3c2CN(C(=O)C24CC5CC(CC(C5)C2)C4)CC3)CC1,C33666404_decoy,ITAL,Decoy,0,-8.69994,-5.12,-1.77,-6.253685835748528
CCCSc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c2c3c(sc2n1)COC(C)(C)C3,C34749977_decoy,ITAL,Decoy,0,-9.29018,-4.76,-1.51,-5.694050652836783
C=CCSc1nc(N2CC[NH+](CC(=O)N3CCCC3)CC2)c2c3c(sc2n1)COC(C)(C)C3,C34750003_decoy,ITAL,Decoy,0,-9.02483,-4.54,-1.02,-5.96807865661542
COc1ccc([C@H]2c3ccsc3CC[NH+]2CC(=O)N2CCN(C(=O)c3ccc(F)cc3)[C@@H](C)C2)cc1,C34829639_decoy,ITAL,Decoy,0,-8.42272,-9.09,-2.7,-9.721184579528574
COc1ccc([C@H]2c3ccsc3CC[NH+]2CC(=O)N2CCN(C(=O)CC(C)(C)C)[C@@H](C)C2)cc1,C34829657_decoy,ITAL,Decoy,0,-9.20479,-8.34,,99.0
C[C@@H](c1nc2ccccc2c(=O)n1-c1ccc(Cl)cc1)N(CC[NH+](C)C)C(=O)c1ccccc1F,C35037383_decoy,ITAL,Decoy,0,-7.3241,-5.07,-3.81,-5.637555828171525
CCOc1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CCC[NH+](C)C)cc1,C35486930_decoy,ITAL,Decoy,0,-7.76499,-7.27,-1.41,-10.026354002898202
Cc1ccc(S(=O)(=O)N2CCN(c3nc(C[NH+](C)C)nc4sc5c(c34)CCCC5)CC2)cc1,C35526042_decoy,ITAL,Decoy,0,-8.20372,-5.71,-2.3,-5.508713897403653
COc1cccc([C@H]2CN(S(=O)(=O)c3ccccc3)C[C@@H]2C[NH+]2CCN(c3ccccc3)CC2)c1,C35887269_decoy,ITAL,Decoy,0,-8.77797,-8.73,-2.51,-9.172794622851557
O=[N+]([O-])c1cccc(C[NH+]2CCC(N(c3ccc(F)cc3)S(=O)(=O)c3ccc(F)cc3)CC2)c1,C37280058_decoy,ITAL,Decoy,0,-6.81793,-9.73,-3.61,-7.2979438896514175
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1cccc(Br)c1)N(CCC[NH+](C)C)C3=O,C38714678_decoy,ITAL,Decoy,0,-8.26659,-4.32,-2.49,-5.518897282776206
CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(CCC[NH+](C)C)[C@H]3c1ccc(Br)cc1,C38726897_decoy,ITAL,Decoy,0,-6.0934,-4.35,-2.49,-3.5882899140009923
C[NH+](C)CCN(C(=O)C1c2ccccc2Oc2ccccc21)c1nc2ccc(S(C)(=O)=O)cc2s1,C38845822_decoy,ITAL,Decoy,0,-8.6551,-5.19,-3.67,-5.9768334873262905
COc1ccc2c(c1)=C[C@H](CN(c1ccccc1OC)S(=O)(=O)c1ccc(Cl)cc1)C(=O)[NH+]=2,C38989643_decoy,ITAL,Decoy,0,-7.55635,-9.29,-2.1,-10.049850947818223
Cc1ccc2nsnc2c1S(=O)(=O)N(C[C@@H]1C=c2cccc(C)c2=[NH+]C1=O)C1CCCCC1,C39325574_decoy,ITAL,Decoy,0,-9.23123,-4.88,-2.1,-5.477992090974551
C[C@@H]([C@@H]1C=C(c2ccccc2)N=N1)[NH+](C)Cc1cc2cc3c(cc2n(Cc2ccccn2)c1=O)CCC3,C39515235_decoy,ITAL,Decoy,0,-8.54389,-10.79,-2.6,-12.39733755281585
CC[NH+]1CCN(c2oc(-c3ccc(Br)cc3)nc2S(=O)(=O)c2ccc(F)cc2)CC1,C39845034_decoy,ITAL,Decoy,0,-6.26616,-5.91,-1.97,-4.080010538682961
CC[NH+](CC)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@H]1c1cccc(Br)c1,C40013755_decoy,ITAL,Decoy,0,-8.95525,-4.17,-1.56,-5.199890668566567
CC[NH+](CC)CCN(C(=O)c1cnc2ccccc2n1)c1nc2ccc(Br)cc2s1,C36642489_decoy,ITAL,Decoy,0,-8.22658,-4.48,-3.2,-5.011230653869802
CCOc1ccc2oc(=O)cc(C[NH+]3CCN(Cc4nc(-c5cc(C)ccc5C)oc4C)CC3)c2c1,C20177561_decoy,ITAL,Decoy,0,-8.88872,-8.79,-2.04,-7.759147312831899
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@@H](c3cccc4ccccc34)N2C(=O)CN1Cc1ccccc1F,C63138104_decoy,ITAL,Decoy,0,-7.4405,-7.11,-3.88,-5.56014227152654
O=C1[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@H](c3cccc4ccccc34)N2C(=O)CN1Cc1ccccc1F,C63138109_decoy,ITAL,Decoy,0,-9.27235,-9.43,-1.98,-10.665833130376225
C[C@]12C(=O)N(Cc3ccc(F)cc3)CC(=O)N1C[C@@H](c1ccccc1Cl)C1=c3ccccc3=[NH+][C@@H]12,C63362768_decoy,ITAL,Decoy,0,-9.64463,-10.47,-2.45,-12.165423175509735
C[C@]12C(=O)N(Cc3ccc(F)cc3)CC(=O)N1C[C@H](c1ccccc1Cl)C1=c3ccccc3=[NH+][C@H]12,C63362771_decoy,ITAL,Decoy,0,-8.23303,-5.92,-2.64,-4.983987283493937
Cc1ccc(CN2CC(=O)N3C[C@H](c4ccccc4Cl)C4=c5ccccc5=[NH+][C@H]4[C@@]3(C)C2=O)cc1,C63362853_decoy,ITAL,Decoy,0,-8.95808,-6.08,-1.61,-6.197032624270251
COc1ccccc1[C@@H]1CN2C(=O)CN(CCCc3ccccc3)C(=O)[C@]2(C)[C@H]2[NH+]=c3ccccc3=C12,C63372422_decoy,ITAL,Decoy,0,-9.83759,-9.67,-3.21,-10.077791432869695
CCCOc1ccc([C@@H]2CN3C(=O)CN(CC(C)C)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1OC,C63374470_decoy,ITAL,Decoy,0,-8.39301,-5.74,-1.67,-6.309390192589652
CCCOc1ccc([C@@H]2CN3C(=O)CN(C4CC4)C(=O)[C@]3(C)[C@H]3[NH+]=c4ccccc4=C23)cc1OCC,C63375118_decoy,ITAL,Decoy,0,-8.55673,-5.66,,99.0
C[C@@H]1CC[C@@H]2c3c(nc(SCC(=O)C4=c5ccccc5=[NH+]C4)n(-c4ccccc4)c3=O)S[C@@H]2C1,C40051596_decoy,ITAL,Decoy,0,-8.88435,-5.54,-3.88,-5.957116808008923
C[C@H]1CC[C@@H]2c3c(nc(SCC(=O)C4=c5ccccc5=[NH+]C4)n(-c4ccccc4)c3=O)S[C@@H]2C1,C40051598_decoy,ITAL,Decoy,0,-8.74433,-6.69,-2.49,-6.643185789549435
COc1cccc(N2CCN(C(=O)C[NH+]3CC=C(c4cnn(-c5ccc(C)c(C)c5)c4)CC3)CC2)c1,C35403662_decoy,ITAL,Decoy,0,-7.58747,-7.55,-2.39,-6.903911905534096
O=C1/C(=C2/SC(=S)N([C@@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccccc1Cl,C02672268_decoy,ITAL,Decoy,0,-10.0065,-5.43,-1.38,-5.4799093394725285
O=C1c2cccc3cccc(c23)C(=O)N1OS(=O)(=O)c1ccc(I)cc1,C08834393_decoy,ITAL,Decoy,0,-9.72114,-10.55,-2.41,-11.006283969140013
CC1CCN(c2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CCc3ccccc3)C2=O)CC1,C08915436_decoy,ITAL,Decoy,0,-8.88101,-5.52,-3.11,-5.496279088547036
O=C([C@@H]1COc2ccccc2O1)N(Cc1cccnc1)c1nc2ccc(Br)cc2s1,C09241865_decoy,ITAL,Decoy,0,-8.07461,-8.77,-3.28,-7.7956040463595455
O=C(c1cccc(S(=O)(=O)N2CCN(c3ccc(F)cc3)CC2)c1)N1CCC[C@H]2CCCC[C@H]21,C09205708_decoy,ITAL,Decoy,0,-9.875,-7.48,-2.04,-7.238489139687744
CS(=O)(=O)c1ccc2nc(N(C[C@H]3CCCO3)C(=O)c3cc(Cl)ccc3Cl)sc2c1,C10836830_decoy,ITAL,Decoy,0,-8.52103,-6.0,-3.59,-6.978842498986131
CS(=O)(=O)c1cccc(C(=O)N(C[C@H]2CCCO2)c2nc3ccc(Br)cc3s2)c1,C11139355_decoy,ITAL,Decoy,0,-9.3193,-8.79,-2.99,-11.589154498796574
COc1ccc(OC)c([C@H]2[C@H](C(C)=O)N3c4ccccc4C=C[C@@H]3C23C(=O)c2ccccc2C3=O)c1,C08964933_decoy,ITAL,Decoy,0,-8.22931,-4.92,-1.94,-5.186674901904472
O=C1/C(=C2\SC(=S)N([C@H]3CCS(=O)(=O)C3)C2=O)c2ccccc2N1Cc1ccc(Cl)cc1,C14356616_decoy,ITAL,Decoy,0,-10.1164,-8.11,-1.67,-9.178182921805856
Cc1ccc2nc(N3CCC(Cc4ccccc4)CC3)c(/C=C3\SC(=S)N(C)C3=O)c(=O)n2c1,C16156402_decoy,ITAL,Decoy,0,-7.89042,-5.04,-1.97,-5.518140105314203
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C)cc1C(=O)N1CCC(c2nc3ccccc3s2)CC1,C17960111_decoy,ITAL,Decoy,0,-8.96465,-8.61,-3.58,-7.034041049039468
C=CCN1C(=O)[C@@]2(SC1=S)[C@@H](c1cccs1)CN(C)[C@]21C(=O)N(C)c2ccc(OC)cc21,C13626052_decoy,ITAL,Decoy,0,-9.08062,-3.97,-2.56,-5.481035361158846
Cc1ccccc1-n1c(=S)sc2c(=O)n(-c3ccccc3)c(SCC(=O)N3CCCC3)nc21,C03026584_decoy,ITAL,Decoy,0,-8.28239,-4.96,-3.42,-5.698518483150142
O=C(c1ccc(Cn2nnc3ccccc32)cc1)N1CCN(Cc2ccc(Br)s2)CC1,C23982410_decoy,ITAL,Decoy,0,-9.45568,-8.78,-2.72,-7.675154971332388
Cc1oc(-n2cccc2)c(C#N)c1C(=O)N1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,C13163441_decoy,ITAL,Decoy,0,-7.66229,-9.36,,99.0
CN(Cc1c(F)cccc1Cl)S(=O)(=O)c1ccc(-n2ncc(Cl)c(Cl)c2=O)cc1,C24051284_decoy,ITAL,Decoy,0,-7.34983,-9.08,-1.34,-7.926495834501403
Cc1cc(C)cc(OCC(=O)N2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)c1,C25040530_decoy,ITAL,Decoy,0,-7.91877,-6.6,-1.85,-6.464777032665994
Cc1c(C(=O)N2CCN(Cc3ccc(-c4cccc(F)c4)s3)CC2)sc2ncn(C)c(=O)c12,C30181318_decoy,ITAL,Decoy,0,-8.6848,-5.64,-2.79,-4.8586403063168575
Cc1ccc2nc(N3CCCC3)c(/C=C3/SC(=S)N([C@H](C)c4ccccc4)C3=O)c(=O)n2c1,C33445693_decoy,ITAL,Decoy,0,-8.68186,-4.5,-4.56,-4.59723011637908
C[C@H]1CN(C(=O)CN2CCc3sccc3[C@@H]2c2ccccc2)CCN1S(=O)(=O)c1ccccc1,C34829983_decoy,ITAL,Decoy,0,-8.48448,-8.87,-3.83,-7.272490881887125
C[C@@H]1Cc2ccccc2N1C(=O)CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C35400000_decoy,ITAL,Decoy,0,-9.24569,-8.07,-1.92,-7.719793156412444
COc1ccc(C(=O)N2CCS[C@@]23C(=O)N(Cc2ccc(F)cc2)c2ccc(OC)cc23)cc1,C36165958_decoy,ITAL,Decoy,0,-7.26936,-9.21,-1.83,-7.615499029447402
COc1ccc(C(=O)N2CCS[C@]23C(=O)N(Cc2ccccc2C)c2ccc(OC)cc23)cc1,C36166169_decoy,ITAL,Decoy,0,-8.75125,-6.11,-1.34,-6.245012424546391
O=C(CSc1ncnc2sc3c(c12)CCCC3)N1CCC(c2noc3ccc(F)cc23)CC1,C01106300_decoy,ITAL,Decoy,0,-9.18128,-8.96,-3.19,-7.300243915222539
CC(C)CN1C(=O)/C(=C/c2c(N3CCc4ccccc4C3)nc3ccccn3c2=O)SC1=S,C09215608_decoy,ITAL,Decoy,0,-9.0525,-5.08,-2.91,-5.448357442960645
O=C(c1ccc2c(c1)N(Cc1ccc(F)cc1)C(=O)c1ccccc1S2(=O)=O)N1CCCCCC1,C08597864_decoy,ITAL,Decoy,0,-7.68526,-9.52,-2.08,-7.606623526034925
CC1(C)C[C@H]2C[C@](C)(CN2C(=O)c2cc3n(n2)CCN(Cc2cccc(C(F)(F)F)c2)C3=O)C1,C34811248_decoy,ITAL,Decoy,0,-7.61074,-7.63,-3.02,-6.164955054344769
CN(CC1=NC(=O)[C@@H]2SC=CC2=N1)C(=O)c1c2c(nc3ccccc13)/C(=C/c1cccs1)CCC2,C38776045_decoy,ITAL,Decoy,0,-8.93991,-6.3,-2.44,-5.582902163482611
O=C([C@H]1CS/C(=N\c2ccccc2)N1Cc1cccs1)N1CCN(C2=CC=C[C@H]3N=CC=C23)CC1,C39303542_decoy,ITAL,Decoy,0,-9.23199,-5.06,-1.43,-5.9959048897239136
O=C([C@@H]1C=c2sccc2=N1)N1CC[C@H]2[C@H](C[C@H](c3cccc4cnccc34)C(=O)N2CC2CC2)C1,C39337930_decoy,ITAL,Decoy,0,-8.29827,-5.65,-2.09,-6.047817150623917
COc1c2c(nc3ccccc13)-c1c(c(Br)c(C)n1S(=O)(=O)C(C)C)CCC2=O,C39456711_decoy,ITAL,Decoy,0,-8.62398,-4.63,-2.27,-5.012865847641431
Cc1c(S(=O)(=O)Oc2ccccc2)c2c(n1I)-c1nccc(F)c1C(=O)CC2,C39458746_decoy,ITAL,Decoy,0,-7.67268,-8.03,,99.0
CCOc1ccnc2c1C(=O)CCc1c(S(=O)(=O)c3ccccc3)c(C)n(Br)c1-2,C39459289_decoy,ITAL,Decoy,0,-8.03994,-5.07,-2.3,-5.140960555033958
CSc1cc(Br)c2c(c1)C/C(S(=O)(=O)C(C)C)=N\c1c(Cl)ncnc1N2C,C39479701_decoy,ITAL,Decoy,0,-9.31533,-4.12,-1.9,-5.411523627211023
CC(C)S(=O)(=O)C(=O)[C@H]1[C@H](c2cccc(Br)c2)c2cc3c(cc2C(=O)[C@H]1F)OCO3,C39486447_decoy,ITAL,Decoy,0,-8.87663,-5.43,-1.69,-5.625483549690384
O=S(=O)(c1ccccc1)c1cn(S(=O)(=O)Oc2ccccc2)cc1I,C39540925_decoy,ITAL,Decoy,0,-8.44798,-8.77,-0.84,-8.28521625928302
CC(C)S(=O)(=O)c1cc2nc3n(c(=O)c2cc1F)CCc1c-3n(-c2ccccc2)c2ccccc12,C39541673_decoy,ITAL,Decoy,0,-6.36953,-4.35,-3.19,-3.840173030434907
COC(=O)[C@@H]1CC2=C3CC=CC=C3N=C2[C@H]2C[C@H](N3CCOCC3)C[C@@H](c3ccc(Cl)c(F)c3)N21,C39560798_decoy,ITAL,Decoy,0,-8.37154,-5.77,-1.67,-5.566211347957627
COc1ccc(CN(C(=O)c2oc3ccc(Br)cc3c2C)[C@H]2CCS(=O)(=O)C2)cc1,C40037968_decoy,ITAL,Decoy,0,-9.13443,-8.88,-1.23,-9.201229522726615
CC(=O)N1c2cc(S(=O)(=O)N3CCN(c4cc(C)ccc4C)CC3)c(Br)cc2C[C@@H]1C,C40450638_decoy,ITAL,Decoy,0,-8.1923,-9.09,-2.66,-8.6173418004369
C=CCN1C(=O)[C@]2(SC1=S)[C@@H](c1cccs1)CN(C)[C@@]21C(=O)N(C)c2ccc(OC)cc21,C43732524_decoy,ITAL,Decoy,0,-8.68459,-4.46,-2.54,-5.50277967015502
Cc1ccc(O[C@@H](C)C(=O)N2CCN(S(=O)(=O)c3cccc(F)c3)CC2)c(Br)c1,C46900591_decoy,ITAL,Decoy,0,-7.49856,-9.04,-1.98,-7.39367521686452
Cc1cccc(CN2CCN(C(=O)CSc3nc4sc5c(c4c(=O)n3C)CCCC5)CC2)c1,C32835124_decoy,ITAL,Decoy,0,-9.58199,-8.62,-3.56,-7.648950865957402
COc1ccc2nc(OC3CCN(S(=O)(=O)c4ccc(Br)s4)CC3)sc2c1,C49444601_decoy,ITAL,Decoy,0,-7.75056,-7.04,-1.35,-6.2890800669326925
CCC(=O)N1c2ccc(C)cc2C2=C(SC=C(C(=O)OC)[C@]23SC=C(C(=O)OC)S3)C1(C)C,C58834630_decoy,ITAL,Decoy,0,-3.70299,-4.1,-2.59,-3.5960194059276467
Cc1ccc(-n2cnn(CN3CCN(c4ncc(C(F)(F)F)cc4Cl)CC3)c2=S)c(C)c1,C13073515_decoy,ITAL,Decoy,0,-8.60116,-7.56,-2.06,-6.554765055041992
O=C(Cc1ccc(F)cc1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(OC(F)(F)F)cc1,C32507565_decoy,ITAL,Decoy,0,-7.65739,-5.66,-4.39,-4.612242685410632
O=C1[C@H]2[C@@H](c3ccccc3)OC3(C(=O)c4ccccc4C3=O)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1,C09183559_decoy,ITAL,Decoy,0,-6.96558,-6.63,-3.22,-5.088818702830167
O=C1[C@@H]2[C@@H](C(=O)N1c1cccc(C(F)(F)F)c1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O,C18249379_decoy,ITAL,Decoy,0,-7.10341,-9.74,-2.96,-6.751901087444293
Cc1oc(-c2ccccc2)nc1CN1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C64835837_decoy,ITAL,Decoy,0,-8.97194,-5.03,-2.2,-4.79540633132676
CCOc1cc(Br)c([C@@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1OCC,C04181034_decoy,ITAL,Decoy,0,-7.74598,-8.8,-1.78,-8.10473082267931
O=C(Nc1ccc(S(=O)(=O)c2ccc(NC(=O)C(F)(F)Cl)cc2)cc1)C(F)(F)Cl,C01697997_decoy,ITAL,Decoy,0,-8.26401,-5.68,-2.39,-8.075614103328846
O=C1N[C@H](c2cc3c(cc2Br)OCO3)Nc2c1sc(=S)n2-c1ccccc1,C00857112_decoy,ITAL,Decoy,0,-7.96729,-4.99,-3.04,-4.429039439466721
Cc1cc(NC(=O)[C@H]2Sc3nnc(C)n3N[C@H]2c2ccc(F)cc2)ccc1Br,C09237659_decoy,ITAL,Decoy,0,-8.84103,-8.93,-2.11,-8.479572223275749
CCOC(=O)C1=C(N)OC2=C(C(=O)C[C@@H](c3ccc(F)cc3)C2)[C@]12C(=O)N(C)c1ccccc12,C09427107_decoy,ITAL,Decoy,0,-8.11534,-5.77,-1.6,-5.687594090311942
Cn1cc(C(=O)Nc2cccc(Br)c2)c2[nH]c(=O)n(-c3ccc(F)cc3)c(=O)c21,C09659652_decoy,ITAL,Decoy,0,-7.56409,-7.72,-2.19,-7.647869221482258
Cc1c[nH]c(CNC(=O)c2c3n(c(C)cc2=O)-c2ccccc2S[C@@H](c2ccsc2)C3)n1,C12133337_decoy,ITAL,Decoy,0,-8.66125,-4.81,-1.77,-6.011806628873799
COc1ccc(C(=O)N/N=C2\C(=O)Nc3cc(Br)c(C)cc32)cc1Br,C12446972_decoy,ITAL,Decoy,0,-7.5751,-4.6,-1.44,-4.6143171489550765
Cc1ccc(NC(=S)N(Cc2cc3cc4c(cc3[nH]c2=O)OCCO4)C2CCCCC2)cc1,C00891154_decoy,ITAL,Decoy,0,-9.04442,-5.25,-1.6,-5.795010344123443
C/C(NC(=O)c1ccc(C(=O)N/C(C)=C2\C(=O)C[C@@H]3[C@H]2C3(C)C)cc1)=C1/C(=O)C[C@@H]2[C@H]1C2(C)C,C12876592_decoy,ITAL,Decoy,0,-7.43341,-7.91,-2.61,-8.988703842610759
COc1ccc([C@H]2[C@H](C(=O)c3ccccc3)N3c4ccc(F)cc4C=C[C@H]3[C@@]2(C#N)C(N)=O)cc1,C15023988_decoy,ITAL,Decoy,0,-8.22848,-5.24,-2.77,-6.385748693688404
O=C(CSc1nn(-c2ccccc2)c(=S)s1)NC(=O)NC12CC3CC(CC(C3)C1)C2,C16049202_decoy,ITAL,Decoy,0,-9.0764,-7.86,-2.53,-7.759977793526974
CC(=O)Nc1ccc(-c2csc(NC(=O)COc3ccc(C)cc3Br)n2)cc1,C19681301_decoy,ITAL,Decoy,0,-8.77811,-7.95,-3.87,-10.754591785583816
Cc1ccc(NC(=O)[C@@H]2Sc3nnc(C)n3N[C@H]2c2ccc(Cl)cc2)c(Br)c1,C20060419_decoy,ITAL,Decoy,0,-9.08778,-7.62,-2.95,-7.58611275237442
Cc1sc2[nH]c(=S)n(NC(=O)[C@H](C)Oc3ccc(F)cc3F)c(=O)c2c1-c1ccccc1,C20295165_decoy,ITAL,Decoy,0,-7.35176,-5.2,-2.73,-5.105183463378903
Cc1cccc(CN2c3ccccc3C3=C([C@@H](c4ccccc4F)C(C#N)=C(N)O3)S2(=O)=O)c1,C20558630_decoy,ITAL,Decoy,0,-8.81259,-6.59,-2.73,-6.371269116512657
Cc1ccccc1CN1c2ccccc2C2=C([C@H](c3ccccc3F)C(C#N)=C(N)O2)S1(=O)=O,C20558687_decoy,ITAL,Decoy,0,-7.93038,-10.17,-2.33,-8.789641744023436
COc1cc([C@@H]2Nc3c(C(=O)Nc4ccccc4)cccc3[C@@H]3C=CC[C@H]32)cc(OC)c1OC,C20682756_decoy,ITAL,Decoy,0,-7.5114,-5.74,-3.23,-5.58616060080953
O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc(F)cc1,C01265693_decoy,ITAL,Decoy,0,-8.93947,-8.55,-2.8,-7.233298157974606
O=C(NNC(=O)c1cnn(-c2cccc(C(F)(F)F)c2)c1C(F)(F)F)c1cc2c(s1)CCC2,C22968168_decoy,ITAL,Decoy,0,-8.08497,-5.56,-2.74,-5.915057972312131
Cc1cc(N2C[C@H](C(=O)Nc3ccc4c(c3)NC(=O)[C@@H](C)O4)CC2=O)ccc1Br,C23110663_decoy,ITAL,Decoy,0,-8.20229,-5.03,,99.0
O=C(NCc1ccc(-c2nc3ccccc3s2)o1)[C@@H]1CS[C@@H](Cc2ccc(F)cc2)C(=O)N1,C25610076_decoy,ITAL,Decoy,0,-9.27885,-5.09,-2.26,-5.495899979681818
CC1=C(C(=O)Nc2ccc(C)cn2)[C@H](c2ccccc2F)C2=C(C[C@H](c3ccco3)CC2=O)N1,C13567212_decoy,ITAL,Decoy,0,-7.90551,-5.65,-0.87,-5.863817471239992
CC(=O)Nc1sc2c(c1C(=O)O[C@@H](C)C(=O)Nc1ccc(Br)cc1)CCCC2,C28683359_decoy,ITAL,Decoy,0,-8.44644,-8.01,-2.86,-8.38032996930708
CCOC(=O)C1=c2s/c(=C/c3ccccc3C)c(=O)n2C(N)=C(C#N)[C@H]1c1ccccc1C,C32939098_decoy,ITAL,Decoy,0,-7.85799,-6.07,-1.46,-4.915899873960875
O=C(Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1ccccc1I,C16006059_decoy,ITAL,Decoy,0,-8.27398,-8.17,-1.38,-7.836740885145856
C[C@@H]1CCCN(S(=O)(=O)c2ccc3[nH]c(=O)cc(C(=O)N[C@@H]4CCC[C@H](C)[C@@H]4C)c3c2)C1,C34913691_decoy,ITAL,Decoy,0,-8.16706,-8.0,-2.3,-7.494724388561711
CC(C)(C)C(=O)OCC(=O)[C@@]1(O)CC[C@H]2[C@H]3CCC4=CC(=O)C=C[C@]4(C)[C@]3(F)[C@H](O)C[C@]21C,C38653338_decoy,ITAL,Decoy,0,-9.69903,-5.46,-2.99,-6.161944402872985
C=C1[C@@H](O)[C@@H]2/C=C\C[C@@H](C)CCCC(=O)/C=C\C(=O)O[C@@]23C(=O)N[C@@H](Cc2ccccc2)[C@H]3[C@H]1C,C38654057_decoy,ITAL,Decoy,0,-8.01854,-5.12,-2.08,-4.590298397260814
CCN1/C(=c2\s/c(=C3\SC(=S)N(N)C3=O)n(CC)c2=O)C=Cc2cc(OC)ccc21,C17282378_decoy,ITAL,Decoy,0,-8.2292,-4.18,-3.44,-4.212473026209142
N#CC1=C(N)OC2=NN=C(c3cccs3)[C@@H]2[C@@H]1c1cn(-c2ccccc2)nc1-c1ccccc1,C00987151_decoy,ITAL,Decoy,0,-7.81044,-5.0,-2.45,-3.9694932606360296
CCOc1cnc2c3c(n(I)c(=O)c2c1)C(=O)C[C@@H](c1ccccc1O)N3,C39449476_decoy,ITAL,Decoy,0,-7.71707,-4.83,-1.47,-4.866146758181363
O=C1C[C@H](O)Nc2c1n(I)c(=O)c1cc3c(Cc4ccccc4)cccc3nc21,C39453472_decoy,ITAL,Decoy,0,-8.85292,-5.63,-1.91,-5.124222407031748
CC(C)S(=O)(=O)[P@]1(=O)NN2C[C@@H]3C=C(Cl)C(c4ccccc4O)=C[C@@H]3C[C@@H]2CO1,C39469833_decoy,ITAL,Decoy,0,-8.26971,-5.29,-2.72,-5.906283989465594
CC1=C[C@@H](C(=O)N/N=C/c2cc(I)c(O)c(I)c2)N=N1,C39699757_decoy,ITAL,Decoy,0,-8.16024,-4.34,-2.0,-5.227621372801808
CC1(C)[C@]2(C(=O)Nc3ccc(NC(=O)[C@]45CC[C@](C)(C(=O)C4)C5(C)C)cc3)CC[C@@]1(C)C(=O)C2,C34953663_decoy,ITAL,Decoy,0,-6.04478,-6.19,-1.93,-4.518262554525411
O=C1c2[nH]nc(-c3ccccc3O)c2[C@H](c2ccc(Br)cc2)N1[C@H]1CCS(=O)(=O)C1,C40547557_decoy,ITAL,Decoy,0,-8.36034,-4.83,-2.94,-4.187757881172393
Cc1ccc(O)c(-c2n[nH]c3c2[C@H](c2cccc(Br)c2)N([C@H]2CCS(=O)(=O)C2)C3=O)c1,C40547816_decoy,ITAL,Decoy,0,-9.16548,-5.21,-2.43,-5.976480399833079
COC(=O)NC(=O)c1c(NC(=O)c2ccccc2I)sc(C)c1C,C43898656_decoy,ITAL,Decoy,0,-8.68609,-4.1,-2.01,-5.338537859930392
C[C@]12C=CC(=O)C=C1CC[C@@H]1[C@H]2[C@@H](O)C[C@@]2(C)[C@@H]1C[C@H]1O[C@@H](C3CCCCC3)O[C@]12C(=O)CO,C44963070_decoy,ITAL,Decoy,0,-9.41387,-5.46,-3.0,-6.223592389733728
Cc1ccc2c(c1C)NC(=O)[C@@]21N[C@@H](Cc2ccccc2)[C@H]2C(=O)N(CCc3ccccc3)C(=O)[C@H]21,C15959270_decoy,ITAL,Decoy,0,-9.41194,-6.32,-1.97,-5.109747552888576
Cc1ccc(C2=NC(C(F)(F)F)(C(F)(F)F)c3c(n(-c4ccccc4F)c(=O)[nH]c3=O)N2)cc1,C13769030_decoy,ITAL,Decoy,0,-6.06227,-5.28,-1.68,-4.462043253449273
Cc1cc(/C=N/NC(=O)C(=O)Nc2ccc(F)cc2)c(C)n1-c1cccc(Br)c1,C58912935_decoy,ITAL,Decoy,0,-8.18946,-6.08,,99.0
CSC1=N[C@@H]2Oc3nc(SC)[nH]c(=O)c3[C@H](c3ccc(Br)cc3)C=C2C(=O)N1,C59406638_decoy,ITAL,Decoy,0,-9.98916,-4.14,-1.53,-5.784538306321798
Cc1ccc(OCC(=O)N/N=C2/C(=O)Nc3c(Br)cc(Br)cc32)cc1,C18284755_decoy,ITAL,Decoy,0,-8.43401,-4.47,-1.82,-5.274029402494638
O=C(C1=C([O-])C(=O)N(CCC2=c3ccccc3=[NH+]C2)[C@H]1c1ccc(O)cc1)c1ccc(F)cc1,C63526662_decoy,ITAL,Decoy,0,-9.7455,-9.37,-2.69,-8.84597798439373
Cc1cc(C)c2c(c1)[C@@H](CC(=O)NCCN1Cc3ccccc3O[C@H](c3ccccc3F)C1)C(=O)N2,C19112104_decoy,ITAL,Decoy,0,-8.12982,-5.74,-3.4,-5.753536710148113
Cc1ccc(C(=O)[C@H]2[C@@H]3CCCN3[C@@]3(C(=O)Nc4c(C)cccc43)[C@]23C(=O)Nc2ccccc23)cc1,C64198080_decoy,ITAL,Decoy,0,-8.93236,-12.05,-1.35,-10.149445378573423
C[C@H]1CC(=O)Nc2cc(S(=O)(=O)CCC(=O)Nc3cccc(C(F)(F)F)c3)ccc2S1,C65077731_decoy,ITAL,Decoy,0,-7.56763,-9.71,-2.85,-7.731424010498653
O=C1[C@@H]2[C@@H](c3ccc(O)cc3)c3sc(=O)[nH]c3S[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1,C47146202_decoy,ITAL,Decoy,0,-10.1316,-10.17,-2.01,-9.162491087732048
C[C@H](C(=O)Nc1cccc(I)c1)N1C(=O)c2ccccc2C1=O,C01466649_decoy,ITAL,Decoy,0,-7.03013,-8.57,-2.43,-7.371418130774063
C[C@H](C(=O)Nc1cccc(Br)c1)N1c2cccc3cccc(c23)S1(=O)=O,C01078646_decoy,ITAL,Decoy,0,-8.24619,-10.05,-2.84,-8.558220380626526
Cc1ccc(NS(=O)(=O)c2cccc(C(=O)N3C[C@@]4(C)C[C@@H]3CC(C)(C)C4)c2)cc1,C04863485_decoy,ITAL,Decoy,0,-8.12016,-6.72,-3.33,-6.399694883437076
N#Cc1ccc(-c2cccs2)nc1SCC(=O)Nc1sc2c(c1C#N)CCC2,C08451125_decoy,ITAL,Decoy,0,-9.27406,-8.21,-2.04,-11.802580000050684
CC(C)c1nnc(S)n1/N=C/c1cc(Br)cc(Br)c1O,C08779555_decoy,ITAL,Decoy,0,-10.6538,-7.3,-1.58,-12.46664021020906
O=C(Nc1ccc2c3c(cccc13)CC2)[C@@H]1CCCN1S(=O)(=O)c1ccc(F)cc1,C09066682_decoy,ITAL,Decoy,0,-8.67001,-10.88,-3.64,-9.920539417635972
O=C1NN(c2ccc(F)cc2)C(=O)/C1=C\c1ccc(-c2ccc(Br)cc2)o1,C01216507_decoy,ITAL,Decoy,0,-7.42925,-5.47,-3.17,-4.315196895367631
CC(=O)[C@@H]1[C@@H](C(=O)c2ccccc2F)[C@]2(C(=O)Nc3ccccc32)[C@H]2C=Cc3ccccc3N12,C09109647_decoy,ITAL,Decoy,0,-8.11772,-5.57,-2.02,-5.516450870785215
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(CCO)[C@H]3c1cccc(Br)c1,C09200102_decoy,ITAL,Decoy,0,-7.96807,-5.09,-1.96,-4.918366193534432
CCOc1ccc(Br)cc1/C=C1/C(=O)NC(=S)N(c2ccc(C)cc2C)C1=O,C09262829_decoy,ITAL,Decoy,0,-7.92962,-4.48,-1.96,-5.359575007320845
CC(=O)[C@@H]1[C@H](C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(C)ccc3N12,C09009855_decoy,ITAL,Decoy,0,-8.27196,-4.48,-1.88,-4.50625304127358
COc1ccc(-n2nc3c(c2NC(=O)c2ccc(Br)cc2)CSC3)cc1,C09363786_decoy,ITAL,Decoy,0,-8.55538,-6.45,-1.54,-6.493691435894664
O=C(Cn1c2c(sc1=O)[C@H]1c3ccccc3OC[C@@H]1CS2)Nc1ccc(F)cc1,C09429796_decoy,ITAL,Decoy,0,-9.13129,-7.38,-1.87,-6.818493519185595
Cn1nc(-c2cccc(NC(=O)c3ccccc3I)c2)ccc1=O,C09854010_decoy,ITAL,Decoy,0,-6.75881,-9.38,-1.43,-12.25872949889718
Cc1cc(C)cc(N2C(=O)/C(=C/c3ccc(N4CCCC4)c(F)c3)C(=O)NC2=S)c1,C01131229_decoy,ITAL,Decoy,0,-8.3995,-6.37,-1.42,-6.381339626510932
C[C@@H]1Cc2cc(C(=O)Nc3ccc(I)cc3)ccc2N1S(C)(=O)=O,C10324141_decoy,ITAL,Decoy,0,-7.9429,-4.95,-2.13,-5.669688732464507
O=C(Nc1nc(-c2ccc(Br)s2)cs1)c1cc(=O)c2ccccc2o1,C10573043_decoy,ITAL,Decoy,0,-8.26726,-8.23,-2.37,-6.836748799829346
O=C(CN1C(=O)S/C(=C\c2cccs2)C1=O)Nc1ccc(-c2ccccc2)cc1,C11895869_decoy,ITAL,Decoy,0,-8.03737,-7.06,-3.12,-6.287723608691772
COc1c(Cl)cc(/C=C2/C(=O)NC(=S)N(c3ccc(C)cc3)C2=O)cc1Cl,C12363126_decoy,ITAL,Decoy,0,-7.13205,-4.76,-2.29,-5.061553843303143
Cc1cc(NC(=O)CCn2cnc3sc4c(c3c2=O)CCCC4)ccc1Br,C12779677_decoy,ITAL,Decoy,0,-8.18043,-5.23,-1.6,-5.461117307660213
COc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1,C13635135_decoy,ITAL,Decoy,0,-8.75041,-5.53,-1.4,-5.284368835294934
Cc1nn(C)c(C(=O)N/N=C\c2cc(Br)c(Br)s2)c1Cl,C13959400_decoy,ITAL,Decoy,0,-7.89294,-6.23,-1.57,-6.821462524638629
O=C(CCCn1c(=O)oc2ccccc21)Nc1ccc(I)cc1,C14862733_decoy,ITAL,Decoy,0,-6.63981,-5.14,-1.31,-4.54538848142909
Cc1ccc(-c2nsc(NC(=O)COc3c(F)c(F)c(F)c(F)c3F)n2)s1,C15860004_decoy,ITAL,Decoy,0,-8.43897,-8.14,-1.79,-7.362571032873796
CCc1ccc(NC(=O)N2CCC3(CC2)SCCN3C(=O)c2ccc(F)cc2)cc1,C16491017_decoy,ITAL,Decoy,0,-7.72395,-4.85,-0.98,-5.612536282886399
Cc1ccc2c(c1)N(C(=O)CCC(=O)Nc1c(F)cc(F)cc1Br)C[C@H](C)O2,C20466073_decoy,ITAL,Decoy,0,-7.43694,-8.42,-3.48,-9.201764271522045
Cc1ccc(CN2c3ccsc3C(=O)/C(=C/Nc3ccc(C)cc3)S2(=O)=O)cc1,C20575667_decoy,ITAL,Decoy,0,-8.43503,-8.04,-2.86,-7.678188611909398
O=C(Cn1nc(-c2ccc(F)cc2)c2cnc3ccc(F)cc3c21)Nc1ccccc1F,C20996516_decoy,ITAL,Decoy,0,-9.59927,-9.16,-1.75,-8.948964177366125
COc1ccc(N2C(=O)c3cccnc3[C@@H]2Nc2c(F)c(F)c(F)c(F)c2F)cc1,C21106634_decoy,ITAL,Decoy,0,-8.27644,-8.73,-1.81,-9.066438044244856
Cc1cnc(NC(=O)c2cnn(-c3cccc(C(F)(F)F)c3)c2C(F)(F)F)s1,C22962167_decoy,ITAL,Decoy,0,-6.17696,-9.22,-1.84,-9.84402007132996
Cc1ccc(NC(=O)C2(N(C)C(=O)c3ccccn3)CCCCC2)cc1Br,C00974545_decoy,ITAL,Decoy,0,-6.11754,-8.71,-1.7,-7.314137027437275
COc1cc(Br)cc2cc(C(=O)Nc3ccc(Br)cc3)c(=O)oc12,C26843188_decoy,ITAL,Decoy,0,-7.95807,-7.95,-3.01,-7.24411829856634
O=C(CSc1nc2cc(Cl)ccc2o1)Nc1ccc(I)cn1,C32699264_decoy,ITAL,Decoy,0,-9.10309,-5.23,,99.0
COc1cccc(C(=O)Nc2cccc([C@H]3SCC(=O)N3c3cccc(F)c3)c2)c1,C35927327_decoy,ITAL,Decoy,0,-7.37545,-8.56,-1.48,-7.0872354635731964
Cc1ccsc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@H]2C=CC[C@H]21,C14455866_decoy,ITAL,Decoy,0,-8.68938,-5.53,-1.56,-5.462666267144158
Cc1ccccc1[C@@H]1Nc2ccc(S(=O)(=O)N3CCN(C)CC3)cc2[C@H]2C=CC[C@H]21,C14478715_decoy,ITAL,Decoy,0,-8.89861,-10.74,-1.32,-15.534139157029813
Cc1cccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCN(C)CC4)cc3[C@H]3C=CC[C@@H]32)c1,C14480016_decoy,ITAL,Decoy,0,-8.2382,-5.82,-1.69,-4.960164439660487
O=c1[nH]c(Cn2cc(C(F)(F)F)ccc2=O)nc2scc(-c3ccccc3Cl)c12,C31625322_decoy,ITAL,Decoy,0,-7.68092,-8.47,-2.49,-7.098250577126828
O=C1CCCC2=C1[C@H](c1cccc(F)c1)[C@H]1C(=O)N=C(SCc3ccccc3)N=C1N2,C39360466_decoy,ITAL,Decoy,0,-8.978,-10.27,-1.19,-10.209356963890624
O=C(N/N=C/[C@@H]1C=NN=C1c1ccccc1)c1cc(I)ccc1Cl,C39701972_decoy,ITAL,Decoy,0,-7.64718,-7.54,-1.87,-7.9386887496434335
Cc1ccc2c(=O)c3c(oc2c1C)C(=O)N(CCO)[C@H]3c1ccc(Br)cc1,C40063569_decoy,ITAL,Decoy,0,-8.86138,-4.26,-1.88,-4.98514372508845
CS(=O)(=O)c1ccc2nc(NC(=O)c3ccc(-c4ccccc4)cc3F)sc2c1,C40128196_decoy,ITAL,Decoy,0,-7.15268,-5.72,-3.05,-5.149220051173655
O=C(Nc1nnc(-c2ccco2)s1)c1cc(Br)c(Br)s1,C48818451_decoy,ITAL,Decoy,0,-7.8278,-3.97,-1.33,-3.737490046110756
O=C1C[C@@H](c2cccs2)CC2=C1[C@H](c1cc(F)cc(F)c1)n1nc(C(F)(F)F)nc1N2,C09266858_decoy,ITAL,Decoy,0,-8.08583,-4.44,-3.77,-4.577776788772934
O=C(N1CCC(n2c(=O)[nH]c3ccccc32)CC1)C1(c2ccc(Br)cc2)CC1,C58584613_decoy,ITAL,Decoy,0,-8.95851,-7.92,-1.6,-7.423872140549566
CN1C(=O)C[C@@H](C(=O)Nc2ccc(Br)cc2)S/C1=N\c1ccc(F)cc1,C02727857_decoy,ITAL,Decoy,0,-5.79668,-7.85,-1.97,-4.415458657277818
COc1ccccc1N1C(=O)C2=C(C1=O)[C@H](c1cccs1)Nc1ccccc1S2,C02230715_decoy,ITAL,Decoy,0,-8.76858,-4.67,-2.97,-4.91066047675569
O=C(NN1C(=O)[C@@H]2[C@@H]3C=C[C@@H]([C@@H]4C[C@H]34)[C@@H]2C1=O)[C@@H]1CC1(c1ccccc1)c1ccccc1,C15188367_decoy,ITAL,Decoy,0,-8.55476,-5.81,-2.56,-5.96997901114452
COC(=O)C1=C(C)N=C(c2ccc(Br)cc2)[C@H]1[C@@H]1C(=O)Nc2ccccc21,C63782567_decoy,ITAL,Decoy,0,-8.54387,-8.27,-1.88,-10.582441238501133
Cc1onc(-c2ccc(Br)s2)c1C(=O)NCc1ccc(N(C)C)cc1,C64820245_decoy,ITAL,Decoy,0,-8.249,-6.25,-3.26,-7.25847232654366
COc1cccc(N2C(=O)N(c3ccc(Cl)c(Cl)c3)[C@H]3CS(=O)(=O)C[C@@H]32)c1,C01462249_decoy,ITAL,Decoy,0,-8.33805,-7.45,-2.69,-7.523704128122835
CSc1nccc(-c2ccc(S(=O)(=O)n3nc(C)c(Br)c3C)s2)n1,C01038198_decoy,ITAL,Decoy,0,-7.40582,-6.72,-1.38,-6.49996756613108
Cn1c(=O)c2c(SCc3ccccc3Cl)nc(C3CCCCC3)nc2n(C)c1=O,C08895604_decoy,ITAL,Decoy,0,-9.31511,-9.34,-2.09,-11.126698114791807
C[C@@H]1Oc2c(C(=O)N3CCCN(S(=O)(=O)c4ccc(F)cc4)CC3)cccc2[C@@H]1C,C09217467_decoy,ITAL,Decoy,0,-8.04307,-4.81,-1.34,-4.9862936555407735
Cc1ccc2nc(N3C[C@@H](C)C[C@H](C)C3)c(/C=C3\SC(=S)N(C(C)C)C3=O)c(=O)n2c1,C02370698_decoy,ITAL,Decoy,0,-8.73108,-5.11,-2.49,-5.147660685009262
CC(C)CN1C(=O)/C(=C\c2c(N3C[C@@H](C)C[C@H](C)C3)nc3ccccn3c2=O)SC1=S,C09427771_decoy,ITAL,Decoy,0,-7.47067,-5.5,-4.51,-5.26138403662667
CCCc1nnc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(Cl)cc2)s1,C09593435_decoy,ITAL,Decoy,0,-9.87644,-4.34,-3.57,-5.684102055337747
COc1ccc(CN2C(=O)N(Cc3ccccc3F)c3ccccc3S2(=O)=O)cc1,C10272503_decoy,ITAL,Decoy,0,-7.71822,-9.54,-1.5,-10.31986895602964
O=c1c2nc(N3CCOCC3)sc2c(-c2cccs2)nn1Cc1cccc(F)c1,C11666265_decoy,ITAL,Decoy,0,-7.90134,-5.31,-1.71,-4.420995033145795
COc1ccc2c(c1)[C@H]1C[C@@](C)(O2)N(C)C(=O)[C@@H]1S(=O)(=O)c1ccc(C(C)C)cc1,C12438088_decoy,ITAL,Decoy,0,-8.12219,-7.8,-2.18,-7.529031624660632
Cc1nc(N2CCN(S(=O)(=O)c3ccccc3)CC2)c2c(-c3cccs3)csc2n1,C13039528_decoy,ITAL,Decoy,0,-9.43531,-8.25,-1.56,-11.781015471711967
Cc1ccc(N2C(=O)N(Cc3cc4c(cc3Br)OCCO4)C(=O)[C@H]2C)cc1,C13057595_decoy,ITAL,Decoy,0,-7.09469,-6.7,-3.84,-5.666468734874345
O=C(/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(Oc2ccccc2)cc1)C1CC1,C09579789_decoy,ITAL,Decoy,0,-8.40121,-7.22,-2.2,-7.914853802966577
COc1ccc(CN(C(=O)c2oc3ccc(C)cc3c2C)[C@H]2CCS(=O)(=O)C2)cc1,C13483446_decoy,ITAL,Decoy,0,-7.22388,-8.05,-3.16,-7.113779340015001
CC[C@H](C)N1C(=O)/C(=C/c2c(N3CCC(C)CC3)nc3ccc(C)cn3c2=O)SC1=S,C16736613_decoy,ITAL,Decoy,0,-7.38845,-5.93,-2.39,-6.127851300820415
O=C(c1cnn2c(C(F)(F)F)cc(-c3ccco3)nc12)N1CCC[C@@H]1c1cccc(F)c1,C21791362_decoy,ITAL,Decoy,0,-6.52427,-8.45,,99.0
Cn1c(=O)c2ccccc2n2c(COc3ccc(I)cc3)nnc12,C22043111_decoy,ITAL,Decoy,0,-7.16165,-9.04,,99.0
O=C([C@H]1CCCO1)N1CCN(c2nc(-c3cccs3)nc3sc4c(c23)CCC4)CC1,C22343663_decoy,ITAL,Decoy,0,-8.4434,-5.08,-2.67,-5.2123213148592304
Cc1nnc(CSc2nc3sc4c(c3c(=O)n2-c2ccc(Cl)cc2)CC[C@@H](C)C4)o1,C23647372_decoy,ITAL,Decoy,0,-10.5411,-5.86,-3.07,-6.4852899084852575
CCN1C(=O)/C(=C/c2c(N3C[C@@H](C)C[C@H](C)C3)nc3c(C)cccn3c2=O)SC1=S,C26458748_decoy,ITAL,Decoy,0,-7.36432,-5.67,-2.05,-5.378328541311404
Cc1ccc(C)c(Cn2c(=O)c3c4c(sc3n(CC(=O)N3CCCC3)c2=O)CCCC4)c1,C34729216_decoy,ITAL,Decoy,0,-9.97009,-6.28,-2.07,-7.181484620636673
Cc1nc(N2C(=O)c3oc4ccccc4c(=O)c3[C@H]2c2ccc(N(C)C)cc2)sc1C,C34990991_decoy,ITAL,Decoy,0,-9.85474,-4.56,-1.31,-5.2778972882895046
O=C1[C@@H](c2ccc(F)cc2)N(C[C@@H]2COc3ccccc3O2)C(=O)CN1C1CCCCC1,C03037468_decoy,ITAL,Decoy,0,-9.04169,-9.5,-1.8,-8.360229677402621
O=C1[C@@H](c2ccc(F)cc2)N(C[C@H]2COc3ccccc3O2)C(=O)CN1C1CCCCC1,C03037470_decoy,ITAL,Decoy,0,-9.13337,-9.08,-3.46,-8.43551159405254
COC(=O)c1ccc([C@H]2C3=C(SC4=NC(=O)S[C@@H]42)C(=O)c2ccccc2C3=O)cc1,C38571494_decoy,ITAL,Decoy,0,-8.49694,-5.23,-1.57,-5.763898786623139
CC(=O)O[C@H]1CC[C@@H]2[C@@H](CC[C@H]3[C@@H]2C(=O)C[C@]2(C)[C@H]3C[C@H]3OC(C)=N[C@@]32C(C)=O)[C@@H]1C,C38653770_decoy,ITAL,Decoy,0,-7.78916,-4.96,-2.94,-5.001241410018279
Cc1ccc2nc(N(Cc3cccnc3)C(=O)[C@H]3Oc4ccccc4O[C@H]3C)sc2c1,C36676203_decoy,ITAL,Decoy,0,-7.99053,-8.78,-3.94,-7.825957467042303
O=C(c1cnc2ccccc2n1)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1,C36691913_decoy,ITAL,Decoy,0,-8.33516,-5.74,-2.64,-5.521051922326177
C[C@H]1Oc2ccccc2O[C@@H]1C(=O)N(C[C@@H]1CCCO1)c1nc2ccc(F)cc2s1,C38840192_decoy,ITAL,Decoy,0,-9.20961,-5.86,-2.64,-6.13600007957457
O=C1C[C@H](S[C@@H]2N=N/C(=N\c3ccccc3)S2)C(=O)N1c1ccc(Cl)c(Cl)c1,C38931266_decoy,ITAL,Decoy,0,-8.06296,-5.9,-1.1,-5.615415876573949
COn1c(C)c(S(=O)(=O)C(C)C)c2c1-c1nc3ccccc3c(Cl)c1C(=O)CC2,C39457293_decoy,ITAL,Decoy,0,-8.96818,-5.07,-1.08,-5.845905819786232
CSn1c(C)c(S(=O)(=O)Oc2ccccc2)c2c1-c1nccc(Cl)c1C(=O)CC2,C39458890_decoy,ITAL,Decoy,0,-8.04785,-5.86,-1.08,-5.497933970962076
CSC1=Nc2c(Cl)ncnc2N(C)c2c(cc(SC)cc2S(=O)(=O)C(C)C)C1,C39479616_decoy,ITAL,Decoy,0,-9.75956,-7.31,,99.0
COc1cc(F)cc(/C=C2\CCCn3c2nc2c(S(=O)(=O)C(C)C)cccc2c3=O)c1,C39483553_decoy,ITAL,Decoy,0,-8.05806,-5.78,-2.28,-5.456645166626399
O=C1N=C(SCC(=O)N2CCN(c3ccccc3)CC2)N=C2S[C@@H]3CCCCC3=C12,C39975445_decoy,ITAL,Decoy,0,-9.11505,-7.67,,99.0
CCc1ccc(Oc2nc3ccc(C)cn3c(=O)c2/C=C2\SC(=S)N(C)C2=O)cc1,C39999144_decoy,ITAL,Decoy,0,-9.65065,-8.94,-2.23,-10.389997696513989
CCN1C(=O)/C(=C/c2c(Oc3ccc(C)c(C)c3)nc3ccccn3c2=O)SC1=S,C40016251_decoy,ITAL,Decoy,0,-8.98971,-5.03,-1.48,-5.170565289995694
C=CCn1/c(=N\C(=O)[C@@H]2CCCN2S(C)(=O)=O)sc2cc(Br)ccc21,C44360549_decoy,ITAL,Decoy,0,-8.65716,-7.33,-1.55,-12.48028815298006
O=C(c1ccco1)[C@@H]1[C@@H]2C(=O)N(c3ccc(F)c(Cl)c3)C(=O)[C@@H]2[C@@H]2c3ccccc3C=CN12,C43727009_decoy,ITAL,Decoy,0,-9.16149,-10.01,-1.84,-10.218406561170497
Cc1ccc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2c4ccccc4C=NN2[C@@H]3C(=O)c2ccccc2)cc1,C18033997_decoy,ITAL,Decoy,0,-8.87028,-5.77,-3.95,-5.424677537449267
CC(C)(C)C(=O)[C@H]1[C@H]2C(=O)N(c3ccc(Cl)cc3)C(=O)[C@H]2[C@H]2c3ccccc3C=NN21,C17992391_decoy,ITAL,Decoy,0,-7.2954,-5.52,-2.51,-4.952142163944951
O=C(c1ccc(F)cc1)[C@H]1[C@H]2C(=O)N(c3ccccc3F)C(=O)[C@H]2[C@@H]2c3ccccc3C=NN12,C13770715_decoy,ITAL,Decoy,0,-9.35768,-5.91,-2.12,-5.643921113662671
CCN1C(=O)/C(=C(/C)c2c(N3C[C@H](C)C[C@H](C)C3)nc3ccc(C)cn3c2=O)SC1=S,C51347697_decoy,ITAL,Decoy,0,-7.5549,-6.82,-2.08,-7.402786029558658
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2cncc(Br)c2)C3)c(C)c1,C56912689_decoy,ITAL,Decoy,0,-7.77977,-8.44,-4.65,-7.878297309082893
Cc1cc(-n2c(C)cc(/C=C(\C#N)S(=O)(=O)c3cc(Cl)ccc3Cl)c2C)no1,C32534581_decoy,ITAL,Decoy,0,-8.61491,-7.79,-2.6,-7.229401061748344
O=C(COc1ccccc1)/N=C1\S[C@@H]2CS(=O)(=O)C[C@H]2N1c1ccc(F)c(Cl)c1,C32635300_decoy,ITAL,Decoy,0,-6.64535,-1.83,-2.09,-3.2089824971502794
C[C@H]1CN(S(=O)(=O)c2cccc(C(=O)N(C)c3cccc4ccccc34)c2)C[C@H](C)O1,C60017671_decoy,ITAL,Decoy,0,-7.64522,-5.6,,99.0
O=C1[C@H]2[C@@H](C(=O)N1CCc1ccccc1)C1(O[C@H]2c2ccccc2)C(=O)c2ccccc2C1=O,C04199241_decoy,ITAL,Decoy,0,-9.07051,-11.25,-2.09,-8.966558064292439
Cc1c2c(cc3c1O/C(=C\c1cn(C)c4ccccc14)C3=O)CN(Cc1ccccn1)CO2,C41589018_decoy,ITAL,Decoy,0,-7.72081,-7.75,,99.0
O=C(c1ccccc1)[C@H]1[C@@H]2C(=O)N(c3ccccc3C(F)(F)F)C(=O)[C@@H]2[C@H]2C=CC=NN21,C16038599_decoy,ITAL,Decoy,0,-7.83972,-10.2,-2.57,-8.236173953145224
CC(C)n1nc(C(=O)Nc2ccccc2I)c2ccccc2c1=O,C03549399_decoy,ITAL,Decoy,0,-7.99776,-5.78,-2.21,-5.51166845848147
Cc1ccc(S(=O)(=O)N2CC=C(C(=O)Nc3ccc(Br)c(C)c3)CC2)cc1,C03030448_decoy,ITAL,Decoy,0,-7.23034,-5.15,-1.87,-5.167754967781015
O=C(Nc1ccc(F)cc1)C1CCN(S(=O)(=O)c2ccc(Br)s2)CC1,C02469090_decoy,ITAL,Decoy,0,-8.14884,-4.55,-3.11,-5.154934952609331
Cc1cc(C(F)(F)F)nc(SCC(=O)Nc2sc3c(c2C#N)CCC3)c1C#N,C00663324_decoy,ITAL,Decoy,0,-8.93423,-8.82,-3.77,-8.2833679684613
O=C(Nc1ccc2oc(-c3ccncc3)nc2c1)c1cccc(I)c1,C01241143_decoy,ITAL,Decoy,0,-7.37894,-8.79,-2.66,-6.72505306983904
O=C1[C@@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1Cc1ccc(F)cc1,C02148909_decoy,ITAL,Decoy,0,-9.62577,-6.78,-1.92,-6.452102789990284
Cc1ccc([C@@H]2CC(=O)Nc3c2c(=O)nc(SCc2ccc(F)cc2)n3C)c(C)c1,C09249774_decoy,ITAL,Decoy,0,-8.23591,-9.48,-2.13,-8.177571240778159
Cc1ccccc1CSc1nc(=O)c2c(n1C)NC(=O)C[C@@H]2c1cccc(F)c1F,C09249898_decoy,ITAL,Decoy,0,-8.37228,-9.63,-3.66,-8.71577107406079
CC(=O)N1C[C@H](C)Sc2ccc(S(=O)(=O)Nc3ccc(C)cc3Br)cc21,C09406963_decoy,ITAL,Decoy,0,-7.95758,-7.46,-1.93,-6.8722859050658505
Cc1ccc(C)c(-n2c(=O)/c(=C/c3ccc(C)s3)s/c2=C(/C#N)C(=O)NC2CC2)c1,C03248820_decoy,ITAL,Decoy,0,-8.21833,-7.95,-2.81,-8.374243010850448
Cc1sc2nc(SCC(=O)Nc3ccccc3Br)n(C)c(=O)c2c1C,C02359156_decoy,ITAL,Decoy,0,-8.4716,-7.36,-2.71,-7.008106172080093
O=C1NC(=S)N(c2ccccc2)C(=O)/C1=C/c1cccn1-c1ccc2ccccc2c1,C09493463_decoy,ITAL,Decoy,0,-7.31141,-6.3,-1.47,-5.398254352570297
COc1ccc([C@@H]2CC(=O)C3=C(C2)NC(=O)C[C@H]3c2ccc(Cl)cc2Cl)cc1OC,C09559906_decoy,ITAL,Decoy,0,-9.10742,-7.41,-1.03,-7.667086371810417
CC(C)S(=O)(=O)c1ccc(C(=O)Nc2nc3c(Cl)c(Cl)ccc3s2)cc1,C09623359_decoy,ITAL,Decoy,0,-7.33384,-5.41,-1.67,-3.864617763452196
Cc1ccc(NC(=O)CN2C(=O)CC3(CCCCC3)C2=O)cc1I,C11228723_decoy,ITAL,Decoy,0,-7.97555,-8.39,-1.84,-9.836528955189651
COc1cc(-c2cc(=O)c3cc(O)ccc3o2)cc(I)c1OC,C02096680_decoy,ITAL,Decoy,0,-7.6115,-7.03,-2.36,-6.063974598559958
O=c1[nH]c(/C(Cl)=C/c2ccc(-n3ccnc3)c(F)c2)nc2sc3c(c12)CCCC3,C12506493_decoy,ITAL,Decoy,0,-8.49505,-5.32,-3.29,-4.486100442654693
O=C(CCn1cnc2sc3c(c2c1=O)CCCC3)Nc1ccc(Br)cc1F,C12973250_decoy,ITAL,Decoy,0,-8.50832,-8.49,-2.42,-9.517064312174632
COc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCCCC4)cc3[C@H]3C=CC[C@H]32)cc1,C13635131_decoy,ITAL,Decoy,0,-7.94015,-7.5,-2.24,-7.668276503492119
O=C(Nc1nnc(-c2ccc(Br)s2)o1)c1ccc(Br)s1,C13667191_decoy,ITAL,Decoy,0,-7.90788,-6.71,-2.4,-5.115264811431686
Cc1nc2sc3c(c2c(=O)n1CC(=O)Nc1cccc(Br)c1)CC[C@H](C)C3,C02635388_decoy,ITAL,Decoy,0,-8.61583,-4.83,-3.3,-4.541518810016383
CSc1ccc([C@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@H]3C=CC[C@@H]32)cc1,C14551913_decoy,ITAL,Decoy,0,-9.75765,-6.23,-1.12,-8.244846836852972
CC(=O)[C@@H]1[C@@H](C(=O)c2cccs2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3cc(F)ccc3N12,C16007001_decoy,ITAL,Decoy,0,-9.2487,-5.33,-0.93,-5.970410578543164
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1CCc1ccccc1,C16042221_decoy,ITAL,Decoy,0,-9.71622,-11.34,-3.76,-13.26206464170114
C[C@H](C(=O)Nc1ccc(Br)cc1)N1c2cccc3cccc(c23)S1(=O)=O,C16047443_decoy,ITAL,Decoy,0,-8.27927,-10.03,-1.98,-8.604649089506896
Cc1ccc(NC(=O)Cn2cnc3c(C)cccc3c2=O)cc1I,C16205368_decoy,ITAL,Decoy,0,-7.35399,-7.64,-3.1,-6.724139005498389
Cc1ccc(C)c(-c2csc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)n2)c1,C17026604_decoy,ITAL,Decoy,0,-7.70555,-6.14,-2.06,-5.623869698703241
Cc1cc(C(=O)Nc2ccc(F)cc2F)cc(S(=O)(=O)N2CCC(C)CC2)c1C,C19678894_decoy,ITAL,Decoy,0,-8.79579,-6.37,-2.02,-6.094384037751684
CC(=O)[C@@H]1N2c3ccccc3C=C[C@H]2[C@H](C(=O)c2ccc(F)cc2)[C@]12C(=O)Nc1ccccc12,C19809173_decoy,ITAL,Decoy,0,-7.63107,-5.34,-1.22,-5.107082626664727
CCOC(=O)C1=C(C)NC2=C(C(=O)C[C@H](c3ccc(Cl)cc3)C2)[C@H]1c1cccnc1,C19848613_decoy,ITAL,Decoy,0,-8.67145,-5.41,-1.38,-6.199792929214812
Cc1ccc(CN2c3ccsc3C(=O)/C(=C/Nc3ccc(F)c(F)c3)S2(=O)=O)cc1,C20575707_decoy,ITAL,Decoy,0,-9.30707,-8.82,-2.03,-8.56467095740231
O=C1/C(=C/Nc2cccc(F)c2)S(=O)(=O)N(Cc2ccc(F)cc2)c2ccsc21,C20575780_decoy,ITAL,Decoy,0,-8.75142,-9.22,-3.16,-8.610017619520177
CSc1ccc([C@@H]2Nc3ccc(S(=O)(=O)N4CCOCC4)cc3[C@@H]3C=CC[C@H]32)cc1,C20758847_decoy,ITAL,Decoy,0,-8.06656,-5.93,-1.27,-5.510074253696196
CCN(CC)c1ccc([C@@H]2SCC(=O)Nc3c2c(C)nn3-c2ccc(C)cc2)cc1,C20892806_decoy,ITAL,Decoy,0,-8.11615,-5.02,-1.22,-5.325718936833642
COc1ccc(N2C(=O)c3cccnc3[C@H]2Nc2c(F)c(F)c(F)c(F)c2F)cc1,C21106639_decoy,ITAL,Decoy,0,-6.84313,-9.49,-1.26,-7.561866206377058
C[C@@H](Oc1ccc(Br)cc1Br)C(=O)c1ccc2c(c1)NC(=O)CO2,C23659353_decoy,ITAL,Decoy,0,-8.53915,-8.57,-1.82,-11.073379981704909
Cc1ccc(-c2csc(NC(=O)c3cc(S(C)(=O)=O)ccc3Cl)n2)c(C)c1,C23679276_decoy,ITAL,Decoy,0,-8.87697,-4.77,-3.25,-5.131811742086723
Cc1ccc2nc(-c3ccc(Cl)s3)cc(C(=O)N[C@@H]3CCS(=O)(=O)C3)c2c1,C27977222_decoy,ITAL,Decoy,0,-8.63174,-5.29,-1.68,-6.341603378986109
COc1cccc(-c2cc(C(F)F)c3c(=O)[nH]c(=S)n(-c4ccccc4C)c3n2)c1,C36617275_decoy,ITAL,Decoy,0,-7.0564,-5.05,-2.13,-4.549330289083318
COC(=O)c1cc(Br)cc(Br)c1N[C@@H]1CCS(=O)(=O)C1,C37789495_decoy,ITAL,Decoy,0,-9.00384,-7.47,-0.79,-11.426220890282009
O=C(NC1Cc2ccccc2C1)[C@@H]1Cc2ccccc2CN1S(=O)(=O)c1ccc(F)cc1,C32643067_decoy,ITAL,Decoy,0,-8.75125,-10.38,-2.55,-8.646447297549104
O=C1CCCC2=C1[C@@H](c1ccccc1)[C@@H]1C(=O)N=C(SCc3ccccc3F)N=C1N2,C39360507_decoy,ITAL,Decoy,0,-9.53784,-10.14,-1.54,-9.959380004656753
O=S(=O)(Oc1ccccc1)n1cc(I)c(-c2ccccc2O)c1,C39540867_decoy,ITAL,Decoy,0,-8.23132,-8.58,-2.28,-7.780090183001584
Cc1ccc2nc(NC(=O)CN3C(=O)/C(=C/c4ccccc4)SC3=S)sc2c1,C39874904_decoy,ITAL,Decoy,0,-7.93341,-8.62,-1.97,-6.937810544990306
CC(C)(C)C(=O)N[C@H](N1C[C@@H]2C[C@H](C1)c1cccc(=O)n1C2)C(Cl)(Cl)Cl,C43751620_decoy,ITAL,Decoy,0,-7.97654,-4.26,-2.92,-5.051599718054078
Cc1cc(Br)ccc1NC(=O)[C@@H](C)Sc1nnc(C(F)(F)F)n1C,C45830799_decoy,ITAL,Decoy,0,-8.4489,-7.67,-3.86,-7.735941189387816
Cc1ccc2c(Nc3ccc(I)cc3)c(C(=O)N3CCCC3)cnc2n1,C49004627_decoy,ITAL,Decoy,0,-9.29559,-8.49,-1.98,-9.362001787911
Cc1cc(O)c(CN2CCN(S(=O)(=O)c3ccc(Br)s3)CC2)cc1C,C57395358_decoy,ITAL,Decoy,0,-9.18928,-7.08,-3.24,-9.10920138606092
CCc1ccccc1NC(=O)[C@H]1c2ccccc2C(=O)N(C)[C@H]1c1cn(C)c2ccccc12,C09559384_decoy,ITAL,Decoy,0,-8.84657,-5.38,-2.05,-5.648541181639496
CC(C)(C)[C@H]1CCc2sc(C(=O)N[C@@H]3CS(=O)(=O)C[C@@H]3N3CCCCC3)cc2C1,C60362730_decoy,ITAL,Decoy,0,-8.80766,-5.04,-1.65,-5.379261296394297
O=C(OCc1ccccc1)[C@H]1[C@H]2C(=O)N(c3ccccc3Br)C[C@]23C=C[C@H]1O3,C04112479_decoy,ITAL,Decoy,0,-8.39291,-9.2,-1.44,-8.85912743975104
O=C(c1ccc(F)cc1)N(Cc1ccc(-c2ccc(Cl)cc2)o1)[C@@H]1CCS(=O)(=O)C1,C08994448_decoy,ITAL,Decoy,0,-8.41456,-8.01,-2.09,-7.750925343820169
C#CCn1/c(=N/C(=O)c2cccc(C(F)(F)F)c2)sc2cc(S(C)(=O)=O)ccc21,C09001317_decoy,ITAL,Decoy,0,-8.55968,-7.77,-2.56,-7.692317766775849
O=C1c2oc3ccccc3c(=O)c2[C@H](c2ccc(Br)cc2)N1C[C@H]1CCCO1,C02424217_decoy,ITAL,Decoy,0,-9.10393,-4.66,-2.88,-5.017476119237893
COc1cccc(N2C(SCc3c(F)cccc3Cl)=N[C@H]3CS(=O)(=O)C[C@@H]32)c1,C09341357_decoy,ITAL,Decoy,0,-8.74232,-8.46,,99.0
CC[C@@H](C)c1cnc2c(c1SCc1ccc(Cl)cc1Cl)c(=O)n(C)c(=O)n2C,C09471930_decoy,ITAL,Decoy,0,-9.46627,-7.91,-2.0,-8.749576615373504
CSCCn1/c(=N/C(=O)c2ccc(Cl)s2)sc2cc(S(C)(=O)=O)ccc21,C09564289_decoy,ITAL,Decoy,0,-9.80257,-4.43,-2.01,-6.22076173250459
CSc1ccc([C@H]2c3c(oc4cc(C)cc(C)c4c3=O)C(=O)N2C[C@H]2CCCO2)cc1,C11913709_decoy,ITAL,Decoy,0,-9.55421,-5.04,-2.46,-5.615816678317486
COc1ccc([C@H]2c3cccn3CCN2S(=O)(=O)c2ccc(Br)cc2)cc1,C12361571_decoy,ITAL,Decoy,0,-9.65533,-9.36,-3.74,-8.856664026631963
CC(C)Sc1nnc(N2C(=O)C[C@@H](c3ccccc3F)C3=C2CC(C)(C)CC3=O)s1,C01423604_decoy,ITAL,Decoy,0,-8.80193,-4.23,-1.55,-5.545634421763279
O=C1CSc2ccccc2N1CCC(=O)N1CCCC[C@@H]1c1nc2ccccc2s1,C12601402_decoy,ITAL,Decoy,0,-9.65226,-8.29,-2.07,-11.247534457725587
O=C(c1ccccn1)N(C[C@@H]1CCCO1)c1nc(-c2ccc(Br)cc2)cs1,C12774075_decoy,ITAL,Decoy,0,-7.9945,-5.11,-2.94,-5.107227888772159
COc1ccc2c(c1)c(=O)c(S(=O)(=O)c1ccc(Cl)cc1)cn2Cc1ccccc1C,C02691757_decoy,ITAL,Decoy,0,-9.33625,-10.56,-2.01,-9.796273658382674
CCn1/c(=N/C(=O)c2cccc(S(C)(=O)=O)c2)sc2cccc(Br)c21,C13165512_decoy,ITAL,Decoy,0,-8.569,-4.67,-1.73,-5.159500383566782
CCN1C(=O)/C(=C/c2cn(-c3ccccc3)nc2-c2cn(C)c3ccccc23)SC1=S,C03187951_decoy,ITAL,Decoy,0,-7.76824,-6.02,-2.01,-5.960719036657928
COc1ccc(-n2cccc2/C=C2/SC(=O)N(Cc3c(F)cccc3Cl)C2=O)cc1,C04106608_decoy,ITAL,Decoy,0,-7.7124,-7.99,-2.89,-7.066852310705798
COc1cc(/C=C2\N=C(c3ccccc3F)OC2=O)cc(I)c1OC,C00995614_decoy,ITAL,Decoy,0,-7.89028,-4.49,-1.55,-4.944844685390174
Cc1ccc(/C=C(\C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)o1,C15686623_decoy,ITAL,Decoy,0,-8.25976,-7.11,-1.37,-7.899783182590358
CCOC(=O)C1C(C)=NC(C)=C2C(=O)Oc3c(Br)cc(Br)cc3[C@@H]21,C16682482_decoy,ITAL,Decoy,0,-8.88907,-7.41,-1.74,-9.376300149465544
Cc1ccccc1-n1c(=S)sc2c(=O)n(-c3ccccc3F)c(SCC#N)nc21,C03026522_decoy,ITAL,Decoy,0,-7.8889,-4.79,-1.8,-5.403908534677966
Cc1cccc2nc(COC(=O)c3cc(Br)c(Br)s3)cc(=O)n12,C21106894_decoy,ITAL,Decoy,0,-7.98572,-4.64,-1.29,-4.726589493395789
Fc1ccccc1N1CCN(c2ncc3c(n2)CCN(Cc2cccc(F)c2F)C3)CC1,C15779723_decoy,ITAL,Decoy,0,-9.00834,-6.42,-2.54,-7.114021849450408
O=C(Cn1c(=O)c2ccccc2n2c(=S)sc(-c3ccccc3F)c12)N1CCCC1,C21353571_decoy,ITAL,Decoy,0,-8.75496,-4.55,-3.78,-5.183371305706418
c1csc(-c2csc3nc(CN4CCOCC4)nc(N4CCc5sccc5C4)c23)c1,C14324530_decoy,ITAL,Decoy,0,-9.77267,-5.69,-1.13,-8.348254315503707
O=S(=O)(c1ccc2ccccc2c1)N1CCN(Cc2nc(-c3cccs3)cs2)CC1,C22605899_decoy,ITAL,Decoy,0,-9.01997,-6.71,-2.94,-6.557903316320224
O=C(c1cccc(S(=O)(=O)N2CCc3ccccc32)c1)N1CCC[C@H]1Cc1ccccc1,C25173510_decoy,ITAL,Decoy,0,-9.04479,-9.82,-2.33,-8.460087032043264
Cc1ccc(-c2sc(-c3ccccc3)nc2CC(=O)N(C)[C@H]2CCS(=O)(=O)C2)cc1,C32718825_decoy,ITAL,Decoy,0,-8.94069,-9.13,-2.37,-8.217456320924704
C[C@@H]1C[C@H](C)CN(S(=O)(=O)c2cccc(C(=O)N(C)[C@@H](C)c3ccc(F)c(F)c3)c2)C1,C32899125_decoy,ITAL,Decoy,0,-7.27624,-8.58,-3.95,-9.392193246584492
CCc1ccc(S(=O)(=O)c2c(C(=O)N3CCSCC3)cnc3ccc(C)cc23)cc1,C33249377_decoy,ITAL,Decoy,0,-9.02568,-4.4,-3.65,-5.427870689350181
O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)C2CCCC2)CC1,C34788375_decoy,ITAL,Decoy,0,-8.91423,-8.09,-1.78,-10.13450420918842
O=C(CN1CCc2sccc2[C@@H]1c1cccc(F)c1)N1CCN(C(=O)C2CCCC2)CC1,C34788379_decoy,ITAL,Decoy,0,-9.34337,-9.36,-1.58,-12.55816869221526
COc1ccc(C(=O)N2CCS[C@]23C(=O)N(Cc2cccc(C)c2)c2ccc(F)cc23)cc1,C36165287_decoy,ITAL,Decoy,0,-8.38861,-8.49,-2.05,-7.66444052679464
Cc1sc2ncn(CC(=O)N3CCC[C@H]3c3cccs3)c(=O)c2c1-c1ccccc1,C36776005_decoy,ITAL,Decoy,0,-7.50558,-8.05,-2.28,-7.272211674545626
C[C@@H]1Cc2cc(S(=O)(=O)N(C)c3ccc(Br)cc3)ccc2N1C(=O)C1CC1,C08589406_decoy,ITAL,Decoy,0,-8.37712,-8.16,-2.57,-7.48469310630133
O=C1C[C@H](c2nc(-c3ccc(F)c(Br)c3)no2)CN1Cc1ccc(F)cc1F,C38922918_decoy,ITAL,Decoy,0,-8.23731,-9.08,-1.37,-7.49706808437997
Cc1cccc2c(=O)n(CCCC(=O)N3CCc4sccc4[C@@H]3c3cccs3)cnc12,C40017843_decoy,ITAL,Decoy,0,-8.34638,-8.05,-1.07,-9.98215342246518
CSc1ccc([C@@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2C[C@H]2CCCO2)cc1,C40066264_decoy,ITAL,Decoy,0,-9.6531,-6.29,-3.41,-5.771745948591296
CN(Cc1ccc(F)cc1)C(=O)C1CCN(S(=O)(=O)c2ccc3c(c2)CCCC3)CC1,C18009762_decoy,ITAL,Decoy,0,-8.54115,-7.4,-2.05,-6.583351121845497
O=C(c1ccc(Br)o1)N1CCC(Oc2nc3c(Cl)cccc3s2)CC1,C49432783_decoy,ITAL,Decoy,0,-8.21261,-7.59,,99.0
O=C(c1ccc(Br)o1)N1CCC(Oc2nc3c(F)cc(F)cc3s2)CC1,C49435070_decoy,ITAL,Decoy,0,-8.08587,-8.24,-3.95,-7.948613852396801
CN(Cc1ccc(Cl)s1)C(=O)C1CCN(S(=O)(=O)c2cc(F)ccc2F)CC1,C20911345_decoy,ITAL,Decoy,0,-8.24313,-8.0,-2.62,-7.180594651225028
C[C@@H](C(=O)c1ccc2c(c1)CCC2)n1nnc(-c2ccccc2I)n1,C58369307_decoy,ITAL,Decoy,0,-7.66811,-9.24,-2.19,-7.597061752132881
CC(C)(C)C(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1cc(C(F)(F)F)ccc1Cl,C32634905_decoy,ITAL,Decoy,0,-9.69804,-8.95,-1.48,-9.845224072332098
CCCCC(=O)/N=C1\S[C@H]2CS(=O)(=O)C[C@@H]2N1c1ccc(Cl)c(C(F)(F)F)c1,C32639413_decoy,ITAL,Decoy,0,-7.83466,-9.1,-2.13,-8.687511434777207
COC(=O)c1ccc(F)c(S(=O)(=O)Oc2cccc(I)c2)c1,C60066042_decoy,ITAL,Decoy,0,-7.94056,-7.87,-1.54,-7.32913656666789
COc1ccc(N2CCN(C[C@H]3C(=O)O[C@@H]4C[C@@]5(C)CCC=C(C)C5=C[C@@H]43)C[C@@H]2C)cc1,C61997005_decoy,ITAL,Decoy,0,-8.94872,-9.81,-2.16,-10.911068230635678
CC1=C2C(=O)N=C([C@H](C)Sc3nc(C(F)(F)F)nc4ccccc34)N=C2S[C@H]1C,C63824345_decoy,ITAL,Decoy,0,-8.96518,-9.69,-2.52,-9.621622452753606
O=C1N=C(CN2CCN(c3ccccc3Cl)CC2)N=C2SCC(c3ccccc3)=C12,C64220703_decoy,ITAL,Decoy,0,-7.94344,-7.63,-1.7,-6.349038127739882
O=C1[C@H]2CCCC[C@H]2C(=O)N1CN1CCN(C(c2ccc(F)cc2)c2ccc(F)cc2)CC1,C23473856_decoy,ITAL,Decoy,0,-7.99541,-9.61,-1.81,-7.874301272375018
COC(=O)C1=CN(c2cccc(Br)c2)c2cc(Br)ccc2S1(=O)=O,C64979285_decoy,ITAL,Decoy,0,-9.64242,-8.34,,99.0
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)COC(=O)CCC(=O)[O-],C03881462_decoy,ITAL,Decoy,0,-8.88206,-6.63,-2.14,-8.755525401237728
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)COC(=O)CCC(=O)[O-],C04546504_decoy,ITAL,Decoy,0,-8.21893,-6.43,-2.92,-6.69093544528121
COc1cc(C2=NO[C@@](CC(=O)[O-])(C(=O)Nc3ccc(C(C)=O)cc3)C2)ccc1OCC#N,C09043359_decoy,ITAL,Decoy,0,-8.31073,-7.88,-2.48,-7.760629147521961
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)[C@H](C)n3cc(Br)cn3)[C@H]2SC1,C09431556_decoy,ITAL,Decoy,0,-7.41504,-5.8,-2.45,-5.907949527934743
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1O[C@@H](C)C(=O)[O-],C12447830_decoy,ITAL,Decoy,0,-8.27267,-7.81,-3.62,-7.425227023895951
C/C(=N\NC(=O)[C@H]1CCS(=O)(=O)C1)c1ccc(S(=O)(=O)Nc2ccc(C(=O)[O-])cc2)cc1,C13026391_decoy,ITAL,Decoy,0,-7.49211,-5.6,-3.24,-4.807008452011065
O=C(Cn1cc(C(F)(F)F)ccc1=O)NNS(=O)(=O)c1ccc(Cl)c(C(=O)[O-])c1,C13032162_decoy,ITAL,Decoy,0,-7.72481,-8.09,-1.78,-9.26206786175873
Cc1oc2ncn(CC(=O)Nc3cccc(I)c3)c(=O)c2c1C(=O)[O-],C13056426_decoy,ITAL,Decoy,0,-6.63628,-4.43,-2.15,-4.582996847650926
O=C(Cn1ccc(C(F)(F)F)n1)NNS(=O)(=O)c1cc(C(=O)[O-])ccc1Br,C13059854_decoy,ITAL,Decoy,0,-6.75219,-9.0,-2.37,-7.7835306675407265
CC(=O)NCc1ccc(-c2csc(NS(=O)(=O)c3ccc(F)c(C(=O)[O-])c3)n2)s1,C13093448_decoy,ITAL,Decoy,0,-7.95964,-7.64,-1.7,-7.4777848073717825
O=C([O-])CN1C(=O)C(=O)/C(=C(/O)c2ccc([N+](=O)[O-])cc2)[C@H]1c1ccc(Br)cc1,C09413444_decoy,ITAL,Decoy,0,-7.96955,-5.27,-2.26,-5.893459304179072
COc1ccc(NC(C)=O)cc1NC(=O)CSc1nc2cc(C(=O)[O-])ccc2c(=O)n1C,C13220009_decoy,ITAL,Decoy,0,-6.62049,-7.08,-3.02,-6.209211764467077
CN(CC(=O)Nc1ccc(F)cc1)C(=O)CSc1nc2ccccc2c(=O)n1CC(=O)[O-],C13222960_decoy,ITAL,Decoy,0,-6.66249,-7.07,-3.36,-6.552493848100146
C/C(=N\NC(=O)c1cc(Cl)cn1C)c1ccc(S(=O)(=O)N(C)CCCC(=O)[O-])cc1,C13269049_decoy,ITAL,Decoy,0,-6.91394,-5.75,,99.0
C/C(=N\NC(=O)c1ccc(Br)s1)c1ccc(S(=O)(=O)NCC(=O)[O-])cc1,C13361482_decoy,ITAL,Decoy,0,-6.46385,-6.35,-1.94,-4.385524905603043
Cc1c(C(=O)[O-])sc2ncn(CC(=O)Nc3ccc(S(=O)(=O)N(C)C(C)C)cc3)c(=O)c12,C13418395_decoy,ITAL,Decoy,0,-6.96911,-6.83,-2.96,-6.333801177364383
COc1cc(/C=C2/SC(=O)N(CC(=O)Nc3ccc(C)cc3)C2=O)ccc1OCC(=O)[O-],C13881467_decoy,ITAL,Decoy,0,-8.30525,-7.64,-2.78,-9.297633141098132
Cc1nnc(SCC2=C(C(=O)[O-])N3C(=O)[C@H](NC(=O)c4cn(C)nc4C)[C@H]3SC2)s1,C02782648_decoy,ITAL,Decoy,0,-6.82291,-4.8,,99.0
O=C([O-])COc1cccc(/C=C2/SC(=S)N(NC(=O)c3cccc([N+](=O)[O-])c3)C2=O)c1,C16909620_decoy,ITAL,Decoy,0,-8.11117,-7.93,-1.31,-9.31670351124476
[H]/N=C1C(=[C-]\c2ccc(OCCOc3cc(C)ccc3C)c(Cl)c2)/C(=O)N=C2SC=C(C)N2/1,C20032399_decoy,ITAL,Decoy,0,-7.35178,-9.04,-1.84,-7.190241002081424
C[C@@H](CCCOS(=O)(=O)[O-])[C@@H]1CCC[C@@H]2[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2[C@H](O)C[C@H]2CC(=O)CC[C@@]21C,C22061739_decoy,ITAL,Decoy,0,-9.30433,-8.65,-2.01,-14.3281894541553
CC(=O)OCC1=C(C(=O)[O-])N2C(=O)[C@H](NC(=O)c3nn(C)cc3Br)[C@@H]2SC1,C22566334_decoy,ITAL,Decoy,0,-7.16399,-4.51,-3.37,-5.215516139010704
O=C(C1=C([O-])C(=O)N(CCOCCO)[C@H]1c1cccc(O)c1)c1ccc(Br)cc1,C33392720_decoy,ITAL,Decoy,0,-9.74345,-8.18,-3.79,-9.898408825687824
Cc1ccccc1N1C(=O)[C@H]2[C@@H](c3ccc(N(C)C)cc3)[NH2+][C@@](CC(=O)[O-])(C(=O)[O-])[C@@H]2C1=O,C34255568_decoy,ITAL,Decoy,0,-6.77693,-4.39,-1.46,-4.654964069088504
CC(=O)N[C@@H]1[C@@H](Oc2cccc(C)c2)O[C@H]2CO[C@H](c3ccccc3)O[C@@H]2[C@H]1OCC(=O)[O-],C35057637_decoy,ITAL,Decoy,0,-6.30708,-8.99,-1.75,-9.946709927760738
CC(=O)N[C@@H]1[C@@H](Oc2ccc(C)c(C)c2)O[C@H]2CO[C@H](c3ccco3)O[C@@H]2[C@H]1OCC(=O)[O-],C35057941_decoy,ITAL,Decoy,0,-7.25736,-8.36,-2.8,-9.42200683148506
C=C1C[C@H]2[C@](C)(CCC(=O)[O-])[C@H](C(C)(C)O)CC[C@]2(C)[C@@]2(C(=O)OC)C(=O)[C@@](C)(O)C(=O)[C@]12C,C35465881_decoy,ITAL,Decoy,0,-7.5795,-4.34,-4.04,-5.505290958935939
O=C(NCc1nnc([S-])n1-c1ccc(F)cc1)c1ccc(S(=O)(=O)N2CCOCC2)cc1,C13523574_decoy,ITAL,Decoy,0,-8.46636,-5.38,-2.39,-5.70681061585373
COc1cc(C(=O)Nc2ccc(S(=O)(=O)[N-]c3cc(C)nc(C)n3)cc2)cc(OC)c1OC,C03135929_decoy,ITAL,Decoy,0,-7.54141,-5.51,-2.33,-5.786126521158329
N#CC1=C(N)OC2=NN=C(c3ccc(Br)cc3)[C@@H]2[C@]12C(=O)N(CC(=O)[O-])c1ccccc12,C39210598_decoy,ITAL,Decoy,0,-7.26646,-5.13,-3.17,-4.122518535601112
C[C@H]1Oc2nc(CSc3nnc(-c4ccco4)n3-c3ccccc3)[nH]c(=O)c2[C@@H]1C(=O)[O-],C39691637_decoy,ITAL,Decoy,0,-6.63819,-5.38,-3.53,-5.371035286353365
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCCO)[C@@H]2c2ccccc2Br)s1,C40053510_decoy,ITAL,Decoy,0,-9.06307,-6.74,-2.14,-7.9623266755634114
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(CCOCCO)[C@H]2c2c(Cl)cccc2Cl)s1,C40098728_decoy,ITAL,Decoy,0,-8.41973,-6.86,-2.36,-9.81005839930505
CCOc1ccccc1[C@@H]1C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)=C([O-])C(=O)N1CCO,C40110679_decoy,ITAL,Decoy,0,-7.38932,-4.6,-2.88,-4.978892056421581
C#CCCN1C(=O)[C@@H]2[C@@H](C1=O)[C@@](Cc1ccc([N+](=O)[O-])cc1)(C(=O)[O-])N[C@H]2c1ccccc1C,C43218325_decoy,ITAL,Decoy,0,-8.15753,-9.34,-2.9,-9.356544689349304
O=C([O-])C[C@]1(C(=O)[O-])[NH2+][C@H](c2cccc3ccccc23)[C@@H]2C(=O)N(C3CCCCC3)C(=O)[C@H]21,C33401133_decoy,ITAL,Decoy,0,-7.09526,-5.29,-1.67,-5.256056999458656
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,ITAL,Decoy,0,-7.36122,-4.92,-2.34,-5.599384417855973
C[C@@H](CCCOS(=O)(=O)[O-])[C@@H]1CCC[C@@H]2[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2[C@H](O)C[C@@H]2CC(=O)CC[C@]21C,C44021219_decoy,ITAL,Decoy,0,-9.40871,-5.59,-1.79,-6.414384344709635
C[C@H](CCCOS(=O)(=O)[O-])[C@H]1CCC[C@@H]2[C@@H]1[C@@H](O)C[C@@H]1[C@@H]2[C@H](O)C[C@@H]2CC(=O)CC[C@]21C,C44021228_decoy,ITAL,Decoy,0,-9.33861,-7.88,-3.13,-8.531348780658675
O=C(c1ccc2c([O-])[nH]c(=S)nc2c1)N1CCN(S(=O)(=O)c2cccc3nsnc23)CC1,C46659042_decoy,ITAL,Decoy,0,-7.76296,-6.87,-1.81,-6.07132226086914
O=C(CN1CCN(c2ccc(F)cc2)C1=O)Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1,C49380499_decoy,ITAL,Decoy,0,-7.22078,-5.41,-1.85,-4.668146564927319
Nc1cc(Br)cc(Br)c1[N-]S(=O)(=O)C1CCS(=O)(=O)CC1,C50350942_decoy,ITAL,Decoy,0,-8.41288,-7.4,-1.47,-8.89874694357667
O=C([O-])CC[C@@H]1N[C@@]2(C(=O)Nc3c(Cl)cccc32)[C@H]2C(=O)N(C[C@@H]3CCCO3)C(=O)[C@@H]12,C15972926_decoy,ITAL,Decoy,0,-8.46614,-5.15,-1.25,-5.514507923426964
Cn1nc(I)cc1C(=O)Oc1cccc([C@@H]2N[C@H](C(=O)[O-])CS2)c1,C55028010_decoy,ITAL,Decoy,0,-7.94365,-6.85,-1.82,-7.167716204264846
COCCNC(=O)Cn1cc(/C=C2\C(=O)N(Cc3ccccc3)C(=O)N=C2[O-])c2ccccc21,C59109492_decoy,ITAL,Decoy,0,-8.79556,-8.34,-2.89,-7.975081020987128
COCCn1cc(C(=O)Nc2nc(-c3ccc([N-]S(C)(=O)=O)cc3)cs2)ccc1=O,C59335932_decoy,ITAL,Decoy,0,-7.253,-6.0,-2.51,-5.214328774743382
O=C(NCC[C@H]1CCCO1)c1cc(=O)[nH]c2ccc(S(=O)(=O)[N-]c3ccc(F)cc3)cc12,C12809901_decoy,ITAL,Decoy,0,-8.89232,-5.21,-2.36,-5.733351389136848
CCC(=O)N(C1CC1)[C@@H]1NN=C(SCC(=O)/N=C2\O[C@H](C)c3c(C)nnc([O-])c32)S1,C39939681_decoy,ITAL,Decoy,0,-5.57987,-7.72,-3.35,-6.262048164331496
O=C(Nc1ccc(S(=O)(=O)[O-])cc1)c1ccc2ncc3c(=O)n(-c4ccc(F)cc4)[nH]c3c2c1,C65114737_decoy,ITAL,Decoy,0,-7.93256,-6.3,-1.61,-5.095121410895936
O=C(Cn1c2c(sc1=O)[C@@H](c1ccc(O)cc1)[C@H]1C(=O)N=C([O-])[C@H]1S2)Nc1ccccc1,C39884099_decoy,ITAL,Decoy,0,-9.94755,-5.49,-1.53,-5.310053767898846
Cn1c(-n2ncc(NC[C@H](c3ccccc3Cl)[NH+]3CCCC3)c(Cl)c2=O)nc2ccccc21,C09130574_decoy,ITAL,Decoy,0,-8.93853,-6.16,-2.88,-6.284455777067365
COc1ccc(NC(=O)[C@@H]2[C@@H]3C(=O)N(c4ccc(F)c(Cl)c4)C(=O)[C@@H]3[C@H]3c4ccccc4C=C[NH+]23)cc1,C09480135_decoy,ITAL,Decoy,0,-9.26281,-6.6,-1.52,-7.139448730273481
Cc1ccc(-n2nc(C)c3c(C(=O)NCC4CC[NH+](CCc5cccs5)CC4)cc(C)nc32)cc1,C09610452_decoy,ITAL,Decoy,0,-8.35047,-7.84,-2.44,-7.161385565416193
Cc1sc2nc([C@@H](C)Sc3nnc(C[NH+]4CCCCC4)n3-c3ccc(F)cc3)[nH]c(=O)c2c1C,C09881741_decoy,ITAL,Decoy,0,-9.12128,-8.9,-3.94,-8.321995622255733
CC[C@]1(C2CC[NH+](Cc3cccc(C(F)(F)F)c3)CC2)NC(=O)N(CCc2scnc2C)C1=O,C12053867_decoy,ITAL,Decoy,0,-8.27395,-8.48,,99.0
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1,C06300647_decoy,ITAL,Decoy,0,-9.53402,-10.3,-2.81,-9.160884096905212
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CC=C(c4ccc(F)cc4)CC3)cc12,C06322054_decoy,ITAL,Decoy,0,-9.81461,-11.14,-4.6,-11.319286259786676
COc1ccc(C(=O)C2=C(O)C(=O)N(CCC[NH+](C)C)[C@H]2c2cccc(Br)c2)cc1C,C09273022_decoy,ITAL,Decoy,0,-7.67007,-7.76,-2.16,-8.952272837093778
CC[NH+](CC)CCCN1C(=O)C(=O)/C(=C(/O)c2sc(C)nc2C)[C@@H]1c1cccc(Br)c1,C08922754_decoy,ITAL,Decoy,0,-9.02455,-6.91,-3.26,-7.779613405352838
O=C(C[NH+]1CCc2sccc2[C@H]1c1ccccc1)Nc1cccc(S(=O)(=O)N2CCCC2)c1,C15034274_decoy,ITAL,Decoy,0,-8.13647,-8.43,-2.53,-7.4780343935941955
O=C(CN(C1=[NH+][C@@H]2CS(=O)(=O)C[C@@H]2S1)c1cccc(Cl)c1)Nc1cccc(C(F)(F)F)c1,C20618150_decoy,ITAL,Decoy,0,-9.86623,-9.61,-4.03,-8.948262839547445
CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCCC2)N(CCC[NH+]2CCCC2)C3=O)s1,C21809935_decoy,ITAL,Decoy,0,-9.14736,-5.72,-2.33,-10.30986904629536
CCc1cc2c(cc3n2C[C@@](C)(C(=O)NC2CCCCC2)N(CCC[NH+]2CCCCC2)C3=O)s1,C21810066_decoy,ITAL,Decoy,0,-8.7086,-8.49,,99.0
C[C@@]1(C(=O)NC2CCCCC2)Cn2c(cc3occc32)C(=O)N1C1CC[NH+](Cc2ccccc2)CC1,C21810672_decoy,ITAL,Decoy,0,-8.14287,-7.11,-2.4,-6.85775816395017
C[C@@H]1CCC[C@@H](C)[NH+]1CCCN1C(=O)c2ccc(-c3ccco3)n2C[C@@]1(C)C(=O)NC1CCCC1,C21864199_decoy,ITAL,Decoy,0,-8.54065,-7.82,-1.94,-9.680497441767292
O[C@@H](COc1cccc2ncccc12)CN1CC[NH+]([C@H]2c3ccccc3CCc3cccnc32)CC1,C22934394_decoy,ITAL,Decoy,0,-9.14362,-9.5,-2.18,-11.930659008152858
O[C@H](COc1cccc2ncccc12)CN1CC[NH+]([C@H]2c3ccccc3CCc3cccnc32)CC1,C22934398_decoy,ITAL,Decoy,0,-8.73053,-8.94,-3.67,-8.855003180959637
C[C@H](c1nnc(SCC(=O)N[C@@H](C)C23CC4CC(CC(C4)C2)C3)n1-c1ccc(F)cc1)[NH+](C)C,C23483081_decoy,ITAL,Decoy,0,-8.52283,-6.45,-1.89,-7.18632089236891
C[C@H](c1nnc(SCC(=O)N[C@@H]2C[C@@H]3CC[C@@]2(C)C3(C)C)n1-c1ccc(F)cc1)[NH+]1CCCCC1,C24534902_decoy,ITAL,Decoy,0,-10.131,-9.96,-3.23,-10.418928256069035
O=C(Nc1nc2c(s1)C[NH+](Cc1ccccc1)CC2)[C@@H]1CC(=O)N(Cc2ccccc2Cl)C1,C25409012_decoy,ITAL,Decoy,0,-8.89062,-7.39,-4.47,-7.677805850210976
O=C(CSc1nnc(-c2ccc(F)cc2)n1-c1ccccc1)N[C@H]1CC[NH+](Cc2ccccc2)C1,C27127808_decoy,ITAL,Decoy,0,-9.01577,-8.57,-1.84,-10.270437942180743
C[NH+](C)Cc1ccn2c(-c3ccnc(NCc4cc(F)ccc4F)n3)c(-c3ccc(F)cc3)nc2c1,C28963632_decoy,ITAL,Decoy,0,-8.19027,-6.54,-2.48,-6.109884961443176
Cc1ccc(S(=O)(=O)N2CC[NH+]([C@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@H](C)C5)CC2)cc1,C30539463_decoy,ITAL,Decoy,0,-8.69131,-9.06,-2.75,-10.149337467006164
Cc1ccc(S(=O)(=O)N2CC[NH+]([C@@H](C)c3nc4sc5c(c4c(=O)[nH]3)CC[C@@H](C)C5)CC2)cc1,C30539467_decoy,ITAL,Decoy,0,-8.81043,-9.36,-2.14,-7.749602578375866
CCN(CC)S(=O)(=O)c1ccc(NC(=O)[C@@H]2CCC[NH+](Cc3c(Cl)cccc3Cl)C2)cc1,C30939195_decoy,ITAL,Decoy,0,-9.79032,-7.6,-3.34,-7.873723540475642
C[C@@H](NC(=O)CSc1nnc([C@H](C)[NH+](C)C)n1-c1ccc(F)cc1)c1ccc2c(c1)CCCC2,C32739564_decoy,ITAL,Decoy,0,-8.48593,-7.23,-4.02,-7.779775099367139
Cc1ccc(NC(=O)C[NH+]2CCN(c3nc4sc(C)c(C)c4c(=O)n3Cc3ccccc3)CC2)cc1,C34748817_decoy,ITAL,Decoy,0,-8.3539,-9.81,-4.53,-8.480207580295088
CCc1c(C)sc2nc(N3CC[NH+](CC(=O)Nc4ccc(Br)cc4)CC3)n(C)c(=O)c12,C34749484_decoy,ITAL,Decoy,0,-8.27249,-8.09,-3.66,-7.750183863699436
CCc1c(C)sc2nc(N3CC[NH+](CC(=O)Nc4cccc5ccccc45)CC3)n(CC)c(=O)c12,C34749487_decoy,ITAL,Decoy,0,-9.28086,-6.42,-2.43,-8.22870636942992
COc1ccc([C@H]2c3ccsc3CC[NH+]2CC(=O)N2CCN(C(=O)NC3CCCCC3)[C@@H](C)C2)cc1,C34829943_decoy,ITAL,Decoy,0,-9.71227,-8.41,-2.71,-10.779367396630498
CC[NH+]1CCN([C@@H](c2ccc(Br)cc2)c2sc3nc(-c4ccco4)nn3c2O)CC1,C22798502_decoy,ITAL,Decoy,0,-10.3206,-6.4,-2.47,-8.485048221465444
Cc1ccc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+]3CC=C(c4ccc(F)cc4)CC3)cc12,C20083301_decoy,ITAL,Decoy,0,-8.09102,-10.23,-2.36,-8.856045295977145
COc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)[NH+]=C3N=C(SCc4ccccc4F)NN32)cc1OC,C17242633_decoy,ITAL,Decoy,0,-7.73924,-8.47,-2.21,-10.112882309288686
O=[P@@]1(S(=O)(=O)Oc2ccccc2)N[NH+]2C[C@@H]3C=C(F)C(Cc4ccccc4)=C[C@H]3C[C@H]2CO1,C39469615_decoy,ITAL,Decoy,0,-6.35451,-7.91,-2.08,-5.643422687155381
COc1ccc2c(c1)O[C@@H](C)C[NH+](CCC(=O)NCC[C@]1(c3ccccc3)CCOC(C)(C)C1)C2,C39509292_decoy,ITAL,Decoy,0,-9.31905,-8.9,-3.15,-10.6126943315464
CC(=O)/[NH+]=c1/ccc2c(CSC3=NC(=O)C4=C(c5cccs5)CSC4=N3)cc(O)oc-2c1,C39620922_decoy,ITAL,Decoy,0,-9.57904,-5.91,-2.63,-6.507779630563775
O=C(/N=c1\[nH]c2c(s1)C[NH+](Cc1ccccc1)CC2)c1cccc(S(=O)(=O)N2CCCC2)c1,C49640630_decoy,ITAL,Decoy,0,-9.20122,-7.56,-2.59,-6.785752255438378
Cc1nc2ccccc2c(=O)n1-c1ccc(C(=O)NCc2ccccc2C[NH+]2CCCC[C@H]2C)cc1,C58952627_decoy,ITAL,Decoy,0,-7.44789,-6.61,-4.6,-5.531225149368437
C[C@H]1C[C@H](C)C[NH+](Cc2ccccc2CNC(=O)c2ccc(CS(=O)(=O)c3ccccc3)o2)C1,C59286494_decoy,ITAL,Decoy,0,-6.5814,-6.53,-2.58,-5.477806791361165
Cc1cc(O)c(C[NH+]2CCCC[C@H]2c2cccnc2)c2c1C(=O)/C(=C/c1cc(Cl)cc3c1OCOC3)O2,C41584596_decoy,ITAL,Decoy,0,-6.97126,-5.2,-2.39,-5.091128865035776
COc1ccccc1/C=C1\Oc2c(C[NH+]3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c(O)cc(C)c2C1=O,C41584719_decoy,ITAL,Decoy,0,-7.08192,-6.12,-2.76,-5.3322443355538605
O=C1N[C@H](CC2=c3ccccc3=[NH+]C2)C(=O)N1CC(=O)N1c2ccccc2SC[C@@H]1c1ccccc1,C63152895_decoy,ITAL,Decoy,0,-7.77542,-9.15,-2.5,-9.857783898907272
CC1=C(C(=O)CN2C(=O)N[C@@H](CC3=c4ccccc4=[NH+]C3)C2=O)C[C@H](C)N1c1ccc2c(c1)CCC2,C63182762_decoy,ITAL,Decoy,0,-7.54909,-7.02,-3.36,-6.125702964865283
C[C@]12C(=O)N(c3ccccc3C(=O)NCc3ccccc3F)C(=O)N1CCC1=c3ccccc3=[NH+][C@@H]12,C63362413_decoy,ITAL,Decoy,0,-9.5507,-11.24,-2.67,-12.691142619257738
O=C(NC1CCCC1)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@@H]3[C@H](c3ccccc3)N2C1=O,C63375241_decoy,ITAL,Decoy,0,-9.2286,-5.66,-1.88,-5.845241554155347
O=C(NC1CCCC1)c1ccccc1N1C(=O)[C@@H]2CC3=c4ccccc4=[NH+][C@H]3[C@@H](c3ccccc3)N2C1=O,C63375242_decoy,ITAL,Decoy,0,-9.02825,-6.05,-1.82,-6.377720369625565
C[C@@H]1[NH+]=c2ccccc2=C1CCNS(=O)(=O)c1cccc(S(=O)(=O)c2ccc(Cl)cc2)c1,C63514083_decoy,ITAL,Decoy,0,-7.74848,-8.8,-3.55,-8.05003992767034
Cn1c(=O)oc2cc(S(=O)(=O)NC[C@@H](C3=c4ccccc4=[NH+]C3)c3ccccc3Cl)ccc21,C64057478_decoy,ITAL,Decoy,0,-8.81731,-9.83,-1.89,-11.819887114161322
COc1ccc([C@@H]2c3cccn3-c3sc4c(c3CN2C(=O)Nc2ccccc2OC)CC[NH+](C)C4)cc1,C35427112_decoy,ITAL,Decoy,0,-9.11395,-5.26,-2.11,-5.861762412645851
COc1cc(/[NH+]=c2\oc3ccc(Br)cc3cc2C(=O)Nc2cccc(C)n2)cc(OC)c1,C67294696_decoy,ITAL,Decoy,0,-8.67557,-5.49,-2.93,-6.058146885037485
COCCNC(=O)[C@@H](C)[C@H]1CC[C@]2(C)Cc3sc(NC(=O)c4ccc(OC)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840797_decoy,ITAL,Decoy,0,-8.43583,-4.83,-4.17,-5.216033807883727
C#CCN(C)C(=O)C[C@@H]1c2nc(NC(=O)c3ccc(OC)cc3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@]21C,C03841080_decoy,ITAL,Decoy,0,-9.39255,-5.19,-2.59,-5.723161560913506
COc1c(Cl)cc(Cl)cc1C(=O)NC(=S)Nc1ccc(N2CCN(S(C)(=O)=O)CC2)cc1,C01262923_decoy,ITAL,Decoy,0,-8.92868,-7.7,-1.74,-9.426722945660597
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)C[C@@]3(O)C(=O)Nc4ccc(Br)cc43)cc2)cc1,C04647214_decoy,ITAL,Decoy,0,-9.24013,-8.46,-3.64,-7.898408310346439
O=C(CSc1nnc(-c2ccc(O)cc2)n1-c1ccccc1)NNC(=O)c1ccc(Br)cc1,C00651069_decoy,ITAL,Decoy,0,-9.40414,-4.87,-3.34,-6.14995213124543
Cc1cccc(N2C[C@@H](C(=O)Nc3nnc(SCC(=O)Nc4c(C)cc(C)cc4C)s3)CC2=O)c1,C08905591_decoy,ITAL,Decoy,0,-8.66096,-8.75,-3.29,-9.047072920100485
COc1ccc(/C=C2/C(=O)NC(=S)N(c3cccc(F)c3)C2=O)cc1COc1ccc(NC(C)=O)cc1,C02277329_decoy,ITAL,Decoy,0,-8.94229,-5.95,-2.76,-5.473500929927554
CS(=O)(=O)c1ccccc1-c1nnc(NC(=O)c2ccccc2NS(=O)(=O)c2ccc(F)cc2)o1,C09293214_decoy,ITAL,Decoy,0,-8.82678,-8.27,-4.25,-7.915835117965794
CS(=O)(=O)c1ccc(-c2nnc(NC(=O)c3ccc(NS(=O)(=O)c4ccc(F)cc4)cc3)o2)cc1,C09293301_decoy,ITAL,Decoy,0,-8.10228,-5.2,-1.78,-6.095164393130169
CCOC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N(C)C3CC3)cc2)sc2c1CC[C@@H](C)C2,C10099917_decoy,ITAL,Decoy,0,-8.97566,-6.29,-3.68,-8.183687465734101
COc1cccc(N2C[C@H](C(=O)Nc3cc(-c4cccs4)nn3-c3nc(C(C)C)cc(=O)[nH]3)CC2=O)c1,C11855660_decoy,ITAL,Decoy,0,-8.33543,-7.75,-2.71,-10.637596858366368
COc1ccc(NC(=O)CN2C(=O)[C@]3(C(C#N)=C(N)N(N(C)C)C4=C3C(=O)CCC4)c3ccccc32)cc1,C12413943_decoy,ITAL,Decoy,0,-7.43113,-5.13,-2.4,-5.639856747382112
O=C(NC1CCN(S(=O)(=O)c2ccc(S(=O)(=O)NC3CC3)cc2)CC1)C12CC3CC(CC(C3)C1)C2,C12645605_decoy,ITAL,Decoy,0,-8.39201,-6.92,-2.39,-7.234783386147478
C#C[C@@]1(O)CC[C@H]2[C@@H]3CCC4=C/C(=N\OCC(=O)N5C[C@@H](O)C[C@H]5C(=O)OC)CC[C@]4(C)[C@@H]3CC[C@@]21C,C12662772_decoy,ITAL,Decoy,0,-9.09096,-5.66,-2.55,-6.860039241283683
COc1ccc(C(=O)NC(=S)NNC(=O)COc2c(C)cccc2C)cc1I,C13981204_decoy,ITAL,Decoy,0,-6.75753,-7.38,-2.27,-8.416240652822733
NS(=O)(=O)c1ccc(NC(=O)COc2ccc(Br)cc2/C=C2\SC(=O)NC2=O)cc1,C15056551_decoy,ITAL,Decoy,0,-9.05366,-7.74,-1.06,-9.539498136596592
COc1ccc(-c2cc(-c3ccc(Cl)cc3)n([C@@H]3O[C@H](CO)[C@@H](O)[C@H](O)[C@H]3O)c(=S)c2C#N)cc1,C16958732_decoy,ITAL,Decoy,0,-6.83289,-5.41,-3.31,-4.704852531688594
N#CC1=C(SCC(=O)Nc2ccccc2)NC(N)=C(c2nc(-c3ccccc3)cs2)C12CCCCC2,C08856471_decoy,ITAL,Decoy,0,-8.20024,-4.77,-4.0,-5.206437048037718
CCOc1ccc([C@@H]2NC(=O)NC(CS(=O)(=O)c3ccc(Br)cc3)=C2C(=O)OC)cc1,C20849075_decoy,ITAL,Decoy,0,-7.86786,-5.36,,99.0
COc1ccc([C@@H](c2c(N)n(C)c(=O)n(C)c2=O)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)cc1,C13134444_decoy,ITAL,Decoy,0,-8.16965,-7.87,-3.73,-7.120974567178299
CC(=O)Nc1ccc(NC(=O)C[C@H]2SC(N3N=C(c4ccccc4)C[C@@H]3c3ccc(C)cc3)=NC2=O)cc1,C28065918_decoy,ITAL,Decoy,0,-8.98851,-6.36,-1.84,-6.852167278617554
Cc1c(CN(C)C[C@@H](O)c2ccc([O-])c[nH+]2)sc2c(=O)c(C(=O)NCc3ccc(Cl)cc3)cn(C)c12,C28822559_decoy,ITAL,Decoy,0,-8.89178,-7.96,-3.15,-7.21688083091651
CC(=O)c1sc2c(c1C)c(=O)n(CC(=O)NCc1ccccc1)c(=O)n2CC(=O)Nc1ccccc1C,C34778456_decoy,ITAL,Decoy,0,-7.70341,-6.69,-3.77,-6.420373212293679
COCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@H]1CCC[C@@H](C)[C@H]1C,C36066197_decoy,ITAL,Decoy,0,-8.86097,-7.98,-2.24,-7.625306473469013
O=C(NC(=S)Nc1cccc(S(=O)(=O)/N=C2/CCCN2)c1)c1cc(-c2ccco2)nc2ccccc12,C12651252_decoy,ITAL,Decoy,0,-7.86793,-8.34,-2.78,-6.906593212772175
COc1cccc(-n2c(N)c(C(=O)Nc3c(C)n(C)n(-c4ccccc4)c3=O)c3nc4ccccc4nc32)c1,C02352869_decoy,ITAL,Decoy,0,-7.58053,-6.32,-3.48,-6.007148304692142
CC(C)S(=O)(=O)C1=C2Nc3ccccc3C[NH+]2[C@@H](C(=O)N(Cl)S(=O)(=O)Oc2ccccc2)C1,C39545807_decoy,ITAL,Decoy,0,-9.22107,-5.85,-1.49,-7.626457244581696
COc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@H]2c2ccc(OCC(N)=O)cc2)cc1Cl,C39877101_decoy,ITAL,Decoy,0,-9.8179,-4.89,-3.04,-5.338432675495473
O=C(C[C@@H]1S/C(=N/N=C/c2c(-c3ccccc3)[nH]c3ccccc23)NC1=O)Nc1ccc([N+](=O)[O-])cc1,C40460634_decoy,ITAL,Decoy,0,-7.57139,-8.12,-3.54,-7.554558163301859
C=CCOc1ccc([C@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1OCC,C38701977_decoy,ITAL,Decoy,0,-9.68792,-7.88,-3.4,-10.779954450617288
C=CCOc1ccc([C@@H]2c3c(-c4cc(C)ccc4O)n[nH]c3C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1OC,C40548077_decoy,ITAL,Decoy,0,-8.66727,-8.12,-1.56,-9.90356083372364
CCOc1ccc([C@@H]2c3c(-c4cc(C)c(C)cc4O)n[nH]c3C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1OC,C40548787_decoy,ITAL,Decoy,0,-9.10912,-8.68,-3.72,-12.704789209265968
CCC(=O)N1CCN(c2ccc(NC(=S)NC(=O)c3ccc(N4CCCCC4)c([N+](=O)[O-])c3)cc2)CC1,C40717689_decoy,ITAL,Decoy,0,-8.39902,-6.7,-2.44,-5.773041431673715
CN(Cc1ccccc1)C(=O)C[C@@H]1c2nc(NC(=O)C3CCC3)sc2C[C@@H]2[C@](C)(CO)[C@H](O)CC[C@@]21C,C43553519_decoy,ITAL,Decoy,0,-9.63078,-5.75,-2.35,-6.877265175715844
C[C@]1(CO)[C@H]2Cc3sc(-c4cccnc4)nc3[C@@H](CC(=O)NCc3cc(F)cc(F)c3)[C@@]2(C)CC[C@H]1O,C43554528_decoy,ITAL,Decoy,0,-9.0792,-5.5,-3.43,-6.060862480226199
C[C@@]12CC[C@@H]3[C@H](CC[C@@]4(O)C[C@@H](OC(=O)CBr)CC[C@@]34C=O)[C@]1(O)CC[C@@H]2C1=CC(=O)OC1,C43743488_decoy,ITAL,Decoy,0,-9.21255,-5.21,-1.94,-6.779469645426615
CC(=O)O[C@H]1CC[C@]2(COS(C)(=O)=O)[C@@H]3CC[C@]4(C)C5=C(O)C(=O)CO[C@@]4(CC5)[C@@H]3CC[C@]2(O)C1,C48533530_decoy,ITAL,Decoy,0,-9.14378,-4.29,-2.93,-5.257948530763278
CCOC(=O)N1[C@@H]2CC[C@H]1CC(c1ccnc3c(-c4cccc5[nH]c(=O)[nH]c45)c(-c4ccncc4)nn13)C2,C45258670_decoy,ITAL,Decoy,0,-8.50282,-9.29,-3.15,-9.55408926559353
Cc1nn(C)c(C)c1CNC(=O)c1nn2c(c1Br)N[C@@H](c1cccs1)C[C@H]2C(F)(F)F,C00647316_decoy,ITAL,Decoy,0,-8.74461,-7.62,-3.05,-10.266417592218431
CC(=O)Nc1ccc(NC(=O)c2cc(-c3cccs3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1,C57310567_decoy,ITAL,Decoy,0,-10.1901,-5.3,-2.26,-5.893581642486112
CC(=O)Nc1cccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)c1,C57311167_decoy,ITAL,Decoy,0,-8.29331,-5.77,-2.23,-5.498378724895581
COc1cccc(-c2cc(C(=O)Nc3ccc(C(N)=O)cc3)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)c1,C57311342_decoy,ITAL,Decoy,0,-8.14136,-5.77,-2.05,-5.853956001490968
CC(=O)Nc1ccc(NC(=O)c2cc(-c3ccccc3F)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1,C57311513_decoy,ITAL,Decoy,0,-10.7149,-5.91,-1.35,-7.199602771918031
CCC(=O)Nc1nc2ccc(NC(=S)NC(=O)c3ccccc3I)cc2s1,C57313126_decoy,ITAL,Decoy,0,-7.58371,-7.95,-2.39,-6.57327676148527
Cc1ccc(C(=O)NC(=S)NNC(=O)COc2ccc([N+](=O)[O-])cc2)cc1I,C13977152_decoy,ITAL,Decoy,0,-8.42583,-8.25,-1.57,-8.383382169415823
Cc1cc2c(c(=O)o1)[C@@]1(C(=O)Nc3ccc(Br)cc31)C(C(=O)OCc1ccccc1)=C(N)O2,C59292936_decoy,ITAL,Decoy,0,-7.49049,-5.36,-2.23,-4.167236676824052
[H]/N=C1C(=C\c2ccc(OCCOc3ccc(NC(C)=O)cc3)cc2)/C(=O)N=C2SC(C(F)(F)F)=NN2/1,C20235204_decoy,ITAL,Decoy,0,-6.83725,-6.66,-2.28,-5.33333218640427
CC(C)(C)[C@H]1CCC2=C3C(=O)N=C(CCC(=O)NCCc4ccc(S(N)(=O)=O)cc4)N=C3S[C@@H]2C1,C64580432_decoy,ITAL,Decoy,0,-8.93693,-7.94,-1.57,-8.644447878187838
COc1ccc(CNC(=O)[C@@]2(C)Cn3cnc(C(=O)Nc4cccc5c4CCCC5)c3C(=O)N2C2CC2)cc1,C64954379_decoy,ITAL,Decoy,0,-8.97889,-9.23,-2.38,-8.193955832110461
NC(=O)N1C(=O)[C@H]2[C@H](c3ccccc3)c3sc(=O)n(CC(=O)Nc4ccc(F)cc4)c3S[C@H]2C1=O,C39884082_decoy,ITAL,Decoy,0,-8.81865,-5.56,-3.55,-5.502016129219111
C#CCN(C)C(=O)[C@@H](C)[C@H]1CC[C@@]2(C)Cc3sc(NC(=O)c4ccc(OC)cc4)nc3[C@@H](C)[C@@H]2[C@H]1O,C03840802_decoy,ITAL,Decoy,0,-8.23428,-4.71,-2.88,-5.210673770507525
COc1ccc(C(=O)Nc2nc3c(s2)C[C@@]2(C)CC[C@H]([C@H](C)C(=O)N(C)CCC#N)[C@H](O)[C@H]2[C@@H]3C)cc1,C04222010_decoy,ITAL,Decoy,0,-8.16466,-4.85,-3.38,-5.246692206937319
COc1ccc([C@H]2C(C#N)=C(N)OC3=C2C(=O)CC(C)(C)C3)cc1Cn1nc(C)c(CBr)c1C,C01107298_decoy,ITAL,Decoy,0,-8.27508,-4.88,-1.45,-5.4742401068214
Cc1c(/C=N/NC(=O)c2cc(Br)cc(Br)c2O)c(=O)n(-c2ccccc2)n1C,C01633140_decoy,ITAL,Decoy,0,-9.19156,-7.26,-3.17,-8.90335651471672
CC(=O)c1ccc(NC(=O)N2C[C@@H]3C[C@H](C2)c2ccc(NS(=O)(=O)Cc4ccccc4)c(=O)n2C3)cc1,C03841421_decoy,ITAL,Decoy,0,-6.93544,-9.84,-3.07,-7.510557248449949
CC(C)S(=O)(=O)c1csc(C(=O)NNC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)c1-n1cccc1,C01037635_decoy,ITAL,Decoy,0,-7.54001,-9.59,,99.0
COC(=O)NC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@H]3C)cc2)sc2c1CCCC2,C09297937_decoy,ITAL,Decoy,0,-8.94325,-6.37,-3.29,-8.30243081942933
CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)cc(Br)c1O,C09560075_decoy,ITAL,Decoy,0,-9.10654,-8.6,-3.6,-9.20778034037333
COc1cc([C@H]2C(C#N)=C(N)N(c3sc4c(c3C#N)CCCC4)C3=C2C(=O)CCC3)cc(OC)c1OC,C00714784_decoy,ITAL,Decoy,0,-8.95216,-5.13,-2.0,-5.788381720319867
C#CCn1/c(=N\C(=O)CCCS(=O)(=O)c2ccc(OC)cc2)sc2cc(S(N)(=O)=O)ccc21,C09476057_decoy,ITAL,Decoy,0,-10.5864,-7.43,-4.09,-8.154794920155464
Cc1cc(Br)cc(C)c1O[C@@H](C)C(=O)Nc1ccc(S(=O)(=O)NCc2ccco2)cc1,C10284643_decoy,ITAL,Decoy,0,-8.92993,-7.95,-2.58,-9.53263165269945
Cc1nc(-n2nc(-c3ccco3)cc2NC(=O)c2cc(C(F)(F)F)cc(C(F)(F)F)c2)[nH]c(=O)c1C,C12008251_decoy,ITAL,Decoy,0,-6.5737,-6.61,-3.64,-5.327870412605682
O=C(NC(=S)Nc1cccc(-c2nc3ccccc3s2)c1)c1cc([N+](=O)[O-])ccc1N1CCOCC1,C12860713_decoy,ITAL,Decoy,0,-7.78045,-8.7,-2.57,-6.852706465292418
COc1c(F)c(F)c(C(=O)NC(=S)Nc2ccc(N3CCN(C(=O)C(C)C)CC3)cc2)c(F)c1F,C08896986_decoy,ITAL,Decoy,0,-9.01029,-6.57,-3.0,-6.232676174353958
O=C(NC(=S)Nc1ccc2oc(-c3cncc(Br)c3)nc2c1)c1ccc2c(c1)OCCO2,C14275758_decoy,ITAL,Decoy,0,-9.13343,-6.7,-1.97,-5.9711417535465685
Cc1cc(NS(=O)(=O)c2ccc(NC(=O)[C@H](C)Oc3c(C)cc(Br)cc3C)cc2)no1,C14642655_decoy,ITAL,Decoy,0,-8.1719,-7.95,-2.53,-8.526604772794814
CCOc1ccc(NC(=O)[C@H](C)N2C(=O)/C(=C/c3cc(Br)ccc3O)SC2=S)cc1,C15047513_decoy,ITAL,Decoy,0,-9.77775,-8.87,-2.82,-9.563794007843262
CCCNC(=O)C(=O)N/N=C/C12c3ccccc3C(c3ccccc31)[C@@H]1C(=O)N(c3ccc(C)cc3)C(=O)[C@@H]12,C15133785_decoy,ITAL,Decoy,0,-8.27148,-9.24,-1.6,-2.671501572396642
COc1ccc([C@@H]2C(C#N)=C(N)N(c3ccc(Br)cc3C)C3=C2C(=O)CCC3)c(OC)c1OC,C02754397_decoy,ITAL,Decoy,0,-7.30851,-4.25,-2.54,-4.694414940007935
Cc1cc(Br)c(NC(=O)CSc2nnc([C@@H](C)NC(=O)c3ccc(F)cc3)n2C)cc1C,C16448213_decoy,ITAL,Decoy,0,-8.42027,-7.73,-2.32,-7.87805386807005
O=c1[nH]c(=O)n(-c2ccccc2F)c2c1C(C(F)(F)F)(C(F)(F)F)N=C(c1ccc(Cl)cc1)N2,C20058621_decoy,ITAL,Decoy,0,-6.42164,-5.06,-2.27,-4.218142718554908
CN(C)S(=O)(=O)n1cc(/C=C(\NC(=O)c2ccccc2F)C(=O)NCc2ccco2)c2ccccc21,C20438569_decoy,ITAL,Decoy,0,-8.37063,-8.28,-2.14,-8.322360406984238
CCOc1cc([C@@H]2Nc3ccccc3NC3=C2C(=O)C[C@@H](c2cc(OC)ccc2OC)C3)ccc1OC(C)=O,C21246483_decoy,ITAL,Decoy,0,-10.019,-4.8,-3.24,-7.255754517726545
COc1cc(OC)cc(C(=O)NNC2=CC(=NS(=O)(=O)c3ccc(C)cc3)C3=C(CC=CC3)C2=O)c1,C26786753_decoy,ITAL,Decoy,0,-8.59666,-8.26,-1.76,-13.141661684085577
C=CCn1c(SCC(=O)Nc2ccc(NC(C)=O)cc2)nc2c(c1=O)C1(CCCC1)Cc1ccccc1-2,C26895566_decoy,ITAL,Decoy,0,-8.94806,-5.34,-2.19,-6.811834358886234
COc1ccc(CNC(=O)CC2CCN(C(=O)c3nnc(C(=O)Nc4ccc(C)cc4)s3)CC2)cc1,C33024824_decoy,ITAL,Decoy,0,-7.11581,-7.28,-3.32,-6.105407216411201
COc1cccc(-c2nn(-c3ccc(C)cc3)c(O)c2/C=C2\NC(=O)N(Cc3cccc(F)c3F)C2=O)c1,C35456486_decoy,ITAL,Decoy,0,-8.50382,-7.97,-4.3,-6.699756501392564
Cc1nn(-c2ccccc2)c2sc(C(=O)Nc3cccc(S(=O)(=O)/N=C4/CCCCCN4)c3)cc12,C12561212_decoy,ITAL,Decoy,0,-8.27453,-9.23,-1.95,-7.482816783731213
Cc1ccc(-n2ncc3c(NC4CCC(NS(=O)(=O)c5ccc(Cl)cc5)CC4)nc(C)nc32)cc1,C35643998_decoy,ITAL,Decoy,0,-9.48302,-8.28,-2.17,-9.840766808389237
COCCCN1C(=O)[C@H]2[C@@H](C(=O)Nc3ccc(Cl)cc3)[C@H]3C=C[C@@]2(O3)[C@H]1C(=O)N[C@@H]1CCC[C@H](C)[C@H]1C,C36066204_decoy,ITAL,Decoy,0,-8.40341,-5.54,,99.0
COc1ccc(NC(=O)Cn2c(=O)c3c4c(sc3n(CC(=O)Nc3ccccc3C)c2=O)CCC4)cc1,C37640993_decoy,ITAL,Decoy,0,-8.22937,-8.41,-2.72,-8.473597340132367
COc1ccc(NC(=O)Cn2c(=O)n(CC(=O)Nc3ccccc3C)c(=O)c3c4c(sc32)CCC4)cc1,C37641088_decoy,ITAL,Decoy,0,-8.13506,-8.04,-2.17,-7.613258859623604
O=C(Cn1cnc2sc3c(c2c1=O)CCCC3)NCC(=O)Nc1c(F)cc(F)cc1Br,C02924741_decoy,ITAL,Decoy,0,-7.97873,-8.14,-4.66,-6.748367412607228
COc1cc([C@@H]2C(C#N)=C(N)Oc3cc(OC(=O)Cc4ccc(Cl)cc4)ccc32)cc(OC)c1OC,C38660639_decoy,ITAL,Decoy,0,-7.70693,-8.04,-4.5,-7.106438572961882
COc1cc([C@@H]2CC(=O)C3=C(C2)N[C@H]2N=NC(O)=C2[C@H]3c2cccc(Cl)c2Cl)cc(OC)c1OC,C39359402_decoy,ITAL,Decoy,0,-7.23124,-4.96,-1.1,-5.019744022631675
CCOC(=O)c1c(Cn2cncn2)cc2cc(I)c(O)cc2c1-c1cccc(O)c1,C39502760_decoy,ITAL,Decoy,0,-8.85526,-6.19,-3.77,-6.5988052805244815
C[C@H]1CCc2c(sc(NC(=O)c3ccc(Cl)c([N+](=O)[O-])c3)c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1,C39836238_decoy,ITAL,Decoy,0,-8.23244,-4.73,-2.63,-5.5371169173725
C=CCOc1ccc([C@@H]2c3c(-c4cc(Cl)c(C)cc4O)n[nH]c3C(=O)N2Cc2cccnc2)cc1OC,C39914915_decoy,ITAL,Decoy,0,-9.66575,-8.21,-2.04,-9.934400141069856
CCOc1ccc([C@H]2c3c(-c4cc(C)cc(C)c4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)cc1OCC,C38702166_decoy,ITAL,Decoy,0,-8.74182,-7.24,-1.68,-7.989666728016862
CCOc1ccc([C@H]2c3c(-c4cc(C)c(C)cc4O)n[nH]c3C(=O)N2[C@H]2CCS(=O)(=O)C2)cc1OC,C40548790_decoy,ITAL,Decoy,0,-8.80503,-5.11,-3.23,-5.897862700592277
CCCCOc1cccc([C@@H]2c3c(-c4cc(C)c(C)cc4O)n[nH]c3C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1,C38702262_decoy,ITAL,Decoy,0,-8.81344,-6.76,-2.99,-7.834564523202759
CCOC(=O)c1ccc(NC(=O)c2oc3c(c2C)/C(=N/NC(=O)c2ccc4ccccc4n2)CCC3)cc1,C40825858_decoy,ITAL,Decoy,0,-8.77511,-7.71,-2.27,-8.843079543441963
CC(=O)NC[C@H](C)C[C@@H]1C(=O)C(C)=C2[C@]3(C)CC[C@H]4[C@H](CC=C5C[C@@H](OC(C)=O)CC[C@]54C)[C@@H]3C[C@@]21O,C43736407_decoy,ITAL,Decoy,0,-7.48829,-4.89,-2.05,-5.565948383755619
C[C@@]12CC/C(=N/NC(=O)c3ccncc3)C[C@H]1CC[C@H]1[C@H]2CC[C@@]2(C)/C(=N/NC(=O)c3ccncc3)CC[C@H]12,C43736892_decoy,ITAL,Decoy,0,-9.87318,-6.31,-3.34,-5.851836477828889
O=C(CN1C(=O)[C@@H]2[C@H]3C[C@H]([C@H]4Sc5[nH]c(=O)sc5[C@H](c5cccnc5)[C@H]34)[C@@H]2C1=O)Nc1ccccc1,C47139781_decoy,ITAL,Decoy,0,-9.51289,-5.14,-2.48,-6.677797582295092
O=C(NC(=S)Nc1ccc(-c2nc3ccccc3s2)cc1)c1cc([N+](=O)[O-])ccc1N1CCOCC1,C22844148_decoy,ITAL,Decoy,0,-8.9623,-7.89,-2.24,-6.714884073532438
COc1ccc(/C(C)=N\N=C2\NC(=O)C[C@H](C(=O)Nc3ccc(Cl)cc3)S2)cc1Br,C13423985_decoy,ITAL,Decoy,0,-9.5695,-7.72,-2.32,-7.683409153324213
COc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3ccc(S(=O)(=O)N4CCCC4)cc3)cc2)cc1,C59317423_decoy,ITAL,Decoy,0,-8.1368,-6.4,-4.32,-6.046416947284067
COc1ccc(/C(C)=N/N=C2\NC(=O)C[C@@H](C(=O)Nc3ccc(Cl)cc3)S2)cc1Br,C09008356_decoy,ITAL,Decoy,0,-7.61751,-5.22,-2.97,-4.854171587601638
CC(=O)c1ccc(NC(=O)CSC2=NN[C@H](C3=CC4=C(C)C(C)=N[C@H]4C=C3)N2Cc2ccccc2)cc1,C63730267_decoy,ITAL,Decoy,0,-7.4353,-8.01,,99.0
CCC(C)(C)n1nnnc1[C@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+](Cc1ccccc1)Cc1cccnc1,C06077698_decoy,ITAL,Decoy,0,-9.70812,-10.05,-2.51,-11.968284662808784
O=c1c2c(nc3n1CCCCC3)sc1c(OC[C@H](O)C[NH2+]C3CCCCC3)c(Br)ccc12,C08453883_decoy,ITAL,Decoy,0,-9.03043,-6.92,-1.83,-6.575752251506687
COc1ccc(CC[NH+](CC(=O)Nc2c(C)cc(C)cc2C)CC(=O)Nc2c(C)cc(C)cc2C)cc1OC,C00848831_decoy,ITAL,Decoy,0,-8.92078,-7.22,-1.78,-8.376014117092828
CCOc1ccc(C2=N[C@H](c3ccc(OC)c(Br)c3)[NH2+][C@H](c3cccc(OCC)c3O)C2)cc1,C09542603_decoy,ITAL,Decoy,0,-10.1469,-7.32,-1.87,-10.128359129214711
COc1cc(Br)cc(C[NH2+]CCNc2ccc([N+](=O)[O-])cc2Cl)c1OCc1ccccc1,C10475098_decoy,ITAL,Decoy,0,-8.31974,-7.57,-3.98,-7.644395362928143
CC(C)CCC[C@@H](C)[C@@H]1CC[C@@H]2[C@@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@]4(C)[C@@H]3CC[C@@]21C,C12661314_decoy,ITAL,Decoy,0,-10.0962,-7.63,-2.72,-11.052936566714909
Cc1cc(C)c2cc([C@@H](c3nnnn3C3CCCC3)[NH+](Cc3ccccc3)Cc3cccnc3)c(=O)[nH]c2c1,C06193537_decoy,ITAL,Decoy,0,-9.94961,-9.64,-2.4,-11.663575991280895
Cc1ccc(Cl)cc1N1CC[NH+]([C@@H](c2cc3c(C)ccc(C)c3[nH]c2=O)c2nnnn2C(C)(C)C)CC1,C06244762_decoy,ITAL,Decoy,0,-8.35125,-10.25,-2.36,-8.503082300101756
CCc1ccc2[nH]c(=O)c(C[NH+](Cc3ccccc3)[C@@H](CC)c3nnnn3Cc3ccc(OC)cc3)cc2c1,C13063700_decoy,ITAL,Decoy,0,-9.25471,-8.87,-4.66,-9.155283876434126
CC[C@@H](c1nnnn1Cc1ccc(F)cc1)[NH+](CCc1ccccc1)Cc1cc2cc(OC)ccc2[nH]c1=O,C13064167_decoy,ITAL,Decoy,0,-9.03065,-9.6,,99.0
CC[C@H](c1nnnn1CCc1ccccc1)[NH+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,C13065150_decoy,ITAL,Decoy,0,-9.53251,-8.55,-2.6,-10.943685041131358
CC[C@@H](c1nnnn1CCc1ccccc1)[NH+](CCc1ccccc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,C13065151_decoy,ITAL,Decoy,0,-9.63864,-10.46,-3.6,-10.754917516641504
CC[C@@H](c1nnnn1CCc1ccccc1)[NH+](CCc1ccccc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,C13065287_decoy,ITAL,Decoy,0,-9.5966,-9.04,-4.1,-11.055255463491092
Cc1ccc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+](Cc3ccc(F)cc3)Cc3ccco3)c(=O)[nH]c2c1,C06409837_decoy,ITAL,Decoy,0,-9.66903,-9.42,-2.98,-10.007763011370272
Cc1cc2cc([C@@H](c3nnnn3C3CCCCC3)[NH+](Cc3ccccc3)Cc3cccnc3)c(=O)[nH]c2cc1C,C06194798_decoy,ITAL,Decoy,0,-9.45354,-5.79,-3.97,-6.764399194171675
CC[C@@H](c1nnnn1Cc1ccc(OC)cc1)[NH+](CCc1ccccc1)Cc1cc2cc(C)ccc2[nH]c1=O,C13495829_decoy,ITAL,Decoy,0,-9.27703,-8.9,-3.42,-10.78580403863032
CC[C@H](c1nnnn1CCc1ccccc1)[NH+](CCc1ccccc1C)Cc1cc2cccc(C)c2[nH]c1=O,C13495886_decoy,ITAL,Decoy,0,-9.45646,-10.0,-4.29,-10.650705607634496
Fc1ccc(-n2cc(CCCC[NH+]3CCC4(CC3)OCc3ccc(C(F)(F)F)cc34)c3ccccc32)cc1,C13741544_decoy,ITAL,Decoy,0,-8.45551,-9.72,-3.16,-7.758885923056026
CCC[NH+]1CCC(CN2C(=S)N(c3ccc(OC)cc3)C(=O)[C@@H]2CC(=O)Nc2ccc(OC)cc2)CC1,C15321367_decoy,ITAL,Decoy,0,-7.52611,-8.14,-2.34,-5.873523183659937
CC[NH+](CC)CCCN1C(=O)C(=O)/C(=C(/O)c2c(C)[nH]c(C(=O)OC)c2C)[C@H]1c1ccc(C(C)(C)C)cc1,C09046726_decoy,ITAL,Decoy,0,-8.91614,-5.15,-4.05,-6.285899052204326
CCN(CC)c1ccc(C(=O)C[NH+]2CCC(S(=O)(=O)c3ccc(-c4ccc(COC)cc4)cc3)CC2)cc1,C24875373_decoy,ITAL,Decoy,0,-6.90183,-7.2,-2.7,-5.686859897668791
CCOC(=O)c1ccc(Oc2c(C)oc3c(C[NH+]4CCC(N5CCCCC5)CC4)c(O)ccc3c2=O)cc1,C27100026_decoy,ITAL,Decoy,0,-8.44322,-7.57,-1.79,-6.342888706143898
O=S(=O)(c1ccccc1)N1C[C@@H](C[NH+]2CCC3(CC2)C[S@+]([O-])c2ccccc23)[C@@H](c2ccccc2)C1,C29222708_decoy,ITAL,Decoy,0,-8.66587,-6.66,-3.51,-5.9144934143007895
CCCC[NH+](CCCC)CN1C(=O)/C(=N/c2oc(-c3ccccc3)c(-c3ccccc3)c2C#N)c2ccccc21,C27527876_decoy,ITAL,Decoy,0,-8.84663,-5.08,-2.65,-6.250127206348371
CCCc1cc2c(N3CC[NH+](Cc4ccc(C)cc4C)CC3)nc(SCc3ccc(F)cc3)nc2s1,C34757480_decoy,ITAL,Decoy,0,-8.79076,-6.33,-2.91,-6.349334901241325
CCc1c(C)sc2nc(SCc3cc(C)ccc3C)nc(N3CC[NH+](Cc4cc(C)ccc4C)CC3)c12,C34762024_decoy,ITAL,Decoy,0,-10.2983,-8.98,-1.56,-7.702816634145633
Cc1ccc(NC(=O)C[NH+]2CCN(c3nc(SCc4ccc(F)cc4)nc4scc(C)c34)CC2)cc1,C34774542_decoy,ITAL,Decoy,0,-8.09297,-8.67,,99.0
CCCCCc1ccc(C(=O)N(CCC[NH+]2CCCC[C@@H]2C)Cc2c3ccccc3cc3ccccc23)cc1,C34947257_decoy,ITAL,Decoy,0,-8.33443,-8.3,-4.2,-9.04379333233813
CCCCCc1ccc(C(=O)N(CCC[NH+]2CCCC[C@H]2C)Cc2c3ccccc3cc3ccccc23)cc1,C34947260_decoy,ITAL,Decoy,0,-8.49958,-8.74,-2.65,-10.641158611601664
CCOc1ccc(NC(=O)N2CC[NH+](CCN(CC3=CC[C@H]4C[C@@H]3C4(C)C)C(=O)NC(C)(C)C)CC2)cc1,C00744162_decoy,ITAL,Decoy,0,-8.07079,-7.88,-2.11,-7.180029366338339
CC1(C)[C@@H]2CC=C(C[NH+](CCCc3ccccc3)CCN3CCN(S(=O)(=O)c4ccccc4)CC3)[C@H]1C2,C35095801_decoy,ITAL,Decoy,0,-9.09386,-8.76,-1.83,-13.353627129827592
COc1ccc(C(=O)N(CC[NH+](C)C)CC(=O)Nc2nc(-c3ccc(C)cc3)cn2-c2ccc(C)cc2)cc1,C35694818_decoy,ITAL,Decoy,0,-7.60327,-7.18,-2.98,-8.498308502797293
Cc1nc(-c2ccccc2)nc(N2CCN(C[C@H](O)C[NH+]3CCCCC3)CC2)c1Cc1ccc(Cl)cc1,C36340288_decoy,ITAL,Decoy,0,-8.83487,-6.59,-2.89,-7.425595385343163
CC[C@@H]1CCCCN1S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(C)c(C)ccc3s2)cc1,C36637600_decoy,ITAL,Decoy,0,-7.81591,-8.27,-2.86,-9.89487089807776
CCOc1ccc(NS(=O)(=O)c2ccc(C(=O)NC[C@@H](c3ccc(OC)cc3)[NH+]3CCCC3)cc2)cc1,C12526227_decoy,ITAL,Decoy,0,-9.8223,-8.04,-3.18,-8.311018888545744
CCCC[C@H](CC)CN1C(=O)/C(=C/c2c(C)c(C#N)c(=O)n(CCC)c2N2CC[NH+](C)CC2)SC1=S,C33812602_decoy,ITAL,Decoy,0,-9.12727,-4.8,-2.92,-6.6470342376151095
CC[NH+](CC)CCN(C(=O)c1ccc(S(=O)(=O)CC)cc1)c1nc2ccc(Br)cc2s1,C36694374_decoy,ITAL,Decoy,0,-10.2392,-5.75,-1.65,-7.362872078259779
CC[NH+](CC)CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1nc2c(C)cc(C)cc2s1,C36704394_decoy,ITAL,Decoy,0,-9.90627,-8.58,-2.31,-13.749805411801464
CCOc1cc(C(=O)N(C[C@@H]2C=c3cccc(C)c3=[NH+]C2=O)c2ccc(OC)cc2)cc(OCC)c1OCC,C38963858_decoy,ITAL,Decoy,0,-7.82558,-6.82,,99.0
CCN1/C(=C\C=C2/CCCC(/C=C/c3sc4ccc(OC)cc4[n+]3CC)=C2C)Sc2ccc(OC)cc21,C39440302_decoy,ITAL,Decoy,0,-8.75372,-7.02,-2.88,-8.109762594579276
CCOc1cc(C(=O)N(C[C@H]2C=c3ccc(OC)cc3=[NH+]C2=O)c2ccc(C)cc2)cc(OCC)c1OCC,C39928491_decoy,ITAL,Decoy,0,-7.80004,-7.34,-2.29,-8.259834401347117
CC[NH+](CC)CCCN1C(=O)c2oc3ccc(Br)cc3c(=O)c2[C@H]1c1ccc(C(C)(C)C)cc1,C40008589_decoy,ITAL,Decoy,0,-8.60476,-4.33,-3.06,-5.491551609471532
CN(C)c1cc(N/N=C/c2cn(CCOc3ccc(C4CCCCC4)cc3)c3ccccc23)[nH+]c(N(C)C)n1,C41078040_decoy,ITAL,Decoy,0,-8.48637,-7.74,-2.63,-7.2561684651368035
CCCC[C@@H](NC(=O)CC1CC[NH+](Cc2ccn(-c3ccc(C(F)(F)F)cc3)c2)CC1)c1ccc(=O)[nH]c1,C43071040_decoy,ITAL,Decoy,0,-8.30594,-7.37,-4.56,-6.240470586243682
CC(C)CCC[C@H](C)[C@@H]1CC[C@H]2[C@H]3CC=C4C[C@@H](OC(=O)CC[NH+]5CCCCC5)CC[C@@]4(C)[C@@H]3CC[C@]21C,C43740340_decoy,ITAL,Decoy,0,-9.4159,-7.88,-3.95,-9.968111578132609
COc1ccc(S(=O)(=O)N(CC(=O)NCc2ccc(C[NH+]3CCCC3)cc2)c2ccccc2OC)cc1,C44857352_decoy,ITAL,Decoy,0,-8.05213,-7.23,-3.34,-7.550731615079063
Cc1ccc(C)c(N(CC(=O)NCc2ccc(C[NH+]3CCC[C@H](C)C3)cc2)S(=O)(=O)c2ccccc2)c1,C44877680_decoy,ITAL,Decoy,0,-9.36406,-9.47,-4.13,-10.827699467231062
CCCCC1=NN2C(=[NH2+])/C(=C/c3ccc(OCCOc4cc(C)cc(CC)c4)c(OC)c3)C(=O)N=C2S1,C27549385_decoy,ITAL,Decoy,0,-8.04446,-6.25,-2.1,-6.108010862430885
COc1ccc(CN(C2=N/C(=N\C=C(/C)NC3CC(C)(C)[NH2+]C(C)(C)C3)S2)C2CCCC2)c(OC)c1OC,C20285922_decoy,ITAL,Decoy,0,-9.83365,-6.68,-3.33,-9.007294379637958
COC(=O)[C@@H]1CC2=c3ccccc3=[NH+][C@H]2CN1C(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3,C63351044_decoy,ITAL,Decoy,0,-7.87516,-6.47,-1.5,-5.734393975558879
O=[N+]([O-])c1cc2oc3c(c2c(/C=N/c2ccc(I)cc2)c1[O-])CCCC3,C09041902_decoy,ITAL,Decoy,0,-7.2827,-4.74,-0.75,-4.47652258232419
O=C([O-])Cn1c(SCC(=O)c2cc(Cl)sc2Cl)nnc1-c1ccc(Cl)cc1,C13035546_decoy,ITAL,Decoy,0,-8.90643,-6.68,-1.93,-7.097502697654964
O=C([O-])c1ccc(-n2c(/C=C/c3c(F)c(F)c(F)c(F)c3F)nc3ccccc3c2=O)cc1,C13087036_decoy,ITAL,Decoy,0,-7.60981,-5.04,-2.28,-4.630728367068963
CCOc1ccc2ccccc2c1/C=C1\CCCCn2c1nc1sc(C(=O)[O-])c(C)c1c2=O,C13215280_decoy,ITAL,Decoy,0,-9.12305,-5.6,-3.46,-5.450804549113298
O=C([O-])c1cc(I)ccc1OS(=O)(=O)c1ccc(Cl)c(Cl)c1,C13263236_decoy,ITAL,Decoy,0,-8.53539,-8.05,-1.91,-8.961862407105018
O=C([O-])c1cc(S(=O)(=O)Oc2ccc(Br)cc2Br)ccc1Cl,C13342123_decoy,ITAL,Decoy,0,-9.74331,-7.72,-1.39,-11.273540940311436
O=C1/C(=C\c2ccc(-c3cccc(Cl)c3Cl)o2)C([O-])=NC(=S)N1c1ccc(F)cc1,C01257897_decoy,ITAL,Decoy,0,-8.05557,-9.51,-2.44,-7.067844793102873
O=C1/C(=C\c2cn(Cc3ccccc3)c3ccccc23)C([O-])=NC(=S)N1c1ccccc1F,C01240099_decoy,ITAL,Decoy,0,-9.27609,-8.53,-2.37,-7.428571521572468
O=S(=O)([N-]c1c(Br)cc(Br)cc1Br)c1ccc(Cl)nc1,C20504758_decoy,ITAL,Decoy,0,-9.24063,-7.66,-0.63,-11.534382768916505
N#Cc1ccc(S(=O)(=O)[N-]c2c(Br)cc(Br)cc2Br)cc1,C20504832_decoy,ITAL,Decoy,0,-9.50779,-7.8,-1.62,-10.8387520420647
O=c1oc2c(cc([N-]S(=O)(=O)c3cc(Cl)c(Cl)cc3Cl)c3ccccc32)s1,C28463730_decoy,ITAL,Decoy,0,-9.36978,-7.71,-2.72,-7.011448459961777
Cc1c(S(=O)(=O)[N-]c2ccc(-c3nc4ccccc4s3)c(Cl)c2)cnn1C(F)F,C33124037_decoy,ITAL,Decoy,0,-7.09121,-6.64,-3.22,-5.680241238145272
N#C/C(=C/c1ccc(-c2ccc(Cl)c(Cl)c2)o1)c1nc2ncc(Br)cc2[n-]1,C33247073_decoy,ITAL,Decoy,0,-9.72225,-7.62,-1.93,-6.983035197675852
[O-]c1nc(CSc2nc3ccccc3s2)nc2c(Br)cc(Br)cc12,C03349433_decoy,ITAL,Decoy,0,-8.48136,-7.37,-1.99,-6.6252979308837405
O=C([O-])c1ccoc1COc1c(Br)cc(Br)cc1Br,C35432547_decoy,ITAL,Decoy,0,-7.25723,-6.95,-1.66,-7.29377614848389
CC1=C(C(=O)N(C)C(C)C)[C@@H](c2ccc(F)cc2)N2C(/C=C(\[O-])N3CCCC3)=CSC2=N1,C36053733_decoy,ITAL,Decoy,0,-7.55971,-4.75,-1.33,-5.718592142571725
Cc1ccc(C)c(N2C(=O)/C(=C/c3cn(Cc4ccccc4)c4ccccc34)C([O-])=NC2=S)c1,C09309200_decoy,ITAL,Decoy,0,-7.21317,-9.47,-2.39,-6.848263600225447
O=S(=O)([N-]/N=C1\C[C@@H](c2ccccc2)Oc2ccccc21)c1ccc(Br)cc1,C18063329_decoy,ITAL,Decoy,0,-8.64992,-9.8,-2.03,-10.424598396020896
O=S(=O)([N-]c1ccc(-c2cn3ccsc3n2)cc1)c1cc(Cl)c(Cl)cc1Cl,C38718420_decoy,ITAL,Decoy,0,-9.46427,-8.18,-3.52,-10.185493177039175
Cc1ccc2c(c1)N(C)C(=O)c1cc([N-]S(=O)(=O)c3cc(Cl)ccc3Cl)ccc1O2,C38943241_decoy,ITAL,Decoy,0,-8.26163,-5.95,-1.85,-5.658297915722867
Cc1ccc(S(=O)(=O)Oc2ccc3c(c2)CC[C@@H]2[C@@H]3CC[C@@]3(C)C(=O)CC[C@H]23)cc1C(=O)[O-],C39700830_decoy,ITAL,Decoy,0,-7.63029,-6.48,-2.15,-5.748354694406778
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)cc3)[C@H]2c2ccc(F)cc2)s1,C39999768_decoy,ITAL,Decoy,0,-9.67668,-7.55,-3.41,-8.872746015737475
CCOc1ccc(-n2c(SCC(=O)[O-])nc3c(c2=O)C2(CCCC2)Cc2ccccc2-3)cc1,C40036637_decoy,ITAL,Decoy,0,-9.55541,-5.91,-1.45,-6.84583005662375
O=S(=O)(/N=C(\[O-])c1cc(Cl)ccc1I)c1ccc(Cl)s1,C48518017_decoy,ITAL,Decoy,0,-9.85477,-7.86,-1.62,-7.909832039232506
O=S(=O)(/C=C/c1ccccc1)[N-]c1ccc2c(c1)CCCN2S(=O)(=O)c1ccccc1,C49503946_decoy,ITAL,Decoy,0,-8.79869,-8.15,-4.05,-7.404385193956189
CC(C)(C)c1ccc([C@@H]2c3sc([S-])nc3S[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1,C40475373_decoy,ITAL,Decoy,0,-9.90013,-4.96,-3.08,-5.324197882688369
CC(C)(C)c1ccc([C@H]2c3sc([S-])nc3S[C@H]3C(=O)N(c4ccccc4)C(=O)[C@H]23)cc1,C40475375_decoy,ITAL,Decoy,0,-8.63577,-5.24,-3.97,-5.006260738649063
O=C1[C@@H]2[C@@H](c3ccccc3)c3sc([S-])nc3S[C@H]2C(=O)N1c1cccc(C(F)(F)F)c1,C39886721_decoy,ITAL,Decoy,0,-10.3466,-10.5,-2.37,-9.237190237638996
O=C1N=C([O-])N(c2cccc(C(F)(F)F)c2)C(=O)/C1=C\c1c2ccccc2cc2ccccc12,C16525762_decoy,ITAL,Decoy,0,-8.40934,-10.88,,99.0
CCN(Cc1cc(Br)ccc1F)C(=O)Cn1c([S-])nnc1-c1cccc(C)c1,C58700501_decoy,ITAL,Decoy,0,-8.39404,-8.48,-2.71,-8.950091322540015
Cc1cc(Br)ccc1-c1ccc(/C=C2/C(=O)N(c3ccccc3C)C(=S)N=C2[O-])o1,C58832943_decoy,ITAL,Decoy,0,-8.90325,-7.82,-1.45,-6.98727534500349
O=C([O-])c1ccc(Cl)c(/N=C/c2cc(Br)c(I)o2)c1,C59105169_decoy,ITAL,Decoy,0,-7.20494,-5.99,-1.56,-5.315521407923398
Cc1cc(-n2c(C)cc(/C=C3/C(=O)N(C4CCCCC4)C(=O)N=C3[O-])c2C)ccc1Br,C59109551_decoy,ITAL,Decoy,0,-8.87299,-8.05,-3.95,-6.870341422954906
O=C1N=C([O-])/C(=C/c2ccc(-c3ccc(I)cc3)o2)C(=O)N1c1ccc(F)cc1,C59134982_decoy,ITAL,Decoy,0,-7.78632,-5.21,-1.44,-5.529723184294884
C=CCc1cc(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2[O-])ccc1OCc1ccccc1,C59135512_decoy,ITAL,Decoy,0,-8.15851,-9.17,-2.39,-7.771431146924023
Cc1cc(/C=C2/C(=O)N(c3cccc(Cl)c3Cl)C(=S)N=C2[O-])c(C)n1-c1cccc(F)c1,C59137420_decoy,ITAL,Decoy,0,-9.23922,-8.52,-3.57,-7.002145631194494
Cc1cccc(N2C(=O)N=C([O-])/C(=C\c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C2=O)c1C,C59137625_decoy,ITAL,Decoy,0,-8.09004,-9.66,-3.22,-7.520733898799723
CC(C)Oc1ccc(C(=O)n2c([O-])c3cc(I)ccc3nc2=S)cc1,C20549916_decoy,ITAL,Decoy,0,-5.22026,-8.47,-1.63,-9.148687923868277
O=C1C(=Cc2cccn2-c2ccc(Cl)cc2)C([O-])=NC(=S)N1c1cccc(Cl)c1Cl,C59679302_decoy,ITAL,Decoy,0,-9.91628,-8.39,-3.2,-7.834978161014239
O=C1N=C([O-])/C(=C\c2ccc(-c3ccc(Cl)c(Cl)c3)o2)C(=O)N1c1cccc2ccccc12,C59861885_decoy,ITAL,Decoy,0,-8.88694,-11.09,-2.26,-8.273715033660128
Cc1cc(-c2ccc(/C=C3\C(=O)N(c4cccc(C)c4C)C(=O)N=C3[O-])o2)ccc1Br,C59862920_decoy,ITAL,Decoy,0,-8.03143,-10.29,-2.21,-6.956264849109832
Cc1ccc(CSC2=NC(=O)[C@@H]3C(=N2)N=C2CC(C)(C)CC([O-])=C2[C@@H]3c2ccc(C)o2)cc1,C39766392_decoy,ITAL,Decoy,0,-9.75758,-5.02,-1.65,-5.842816784363168
Cc1ccc(CSC2=NC(=O)[C@@H]3C(=N2)N=C2CC(C)(C)CC([O-])=C2[C@H]3c2ccncc2)cc1,C39766418_decoy,ITAL,Decoy,0,-8.67296,-7.46,-1.63,-7.191775214509567
CC1(C)CC2=NC3=NC(SCc4cccc(F)c4)=NC(=O)[C@@H]3[C@H](c3ccc(F)cc3)C2=C([O-])C1,C63467827_decoy,ITAL,Decoy,0,-8.69475,-5.59,-1.3,-5.67385000265565
CCO/C([O-])=C1\C(C)=NC2=C(C(=O)C[C@@H](c3ccc(OC)c(OC)c3)C2)[C@H]1c1cccc(C)c1,C00863424_decoy,ITAL,Decoy,0,-7.89972,-8.65,-2.57,-7.652332991221122
CCO/C([O-])=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccc(OC)c(OC)c3)C2)[C@@H]1c1cccc(C)c1,C00863427_decoy,ITAL,Decoy,0,-9.00723,-7.47,-1.99,-8.00535986905558
O=C1N=C([O-])N(c2ccc(Cl)cc2)C(=O)/C1=C/c1ccc(-c2cc(Cl)ccc2Cl)o1,C08767397_decoy,ITAL,Decoy,0,-8.13022,-8.76,-2.2,-6.6056156588622565
Cc1cc([N-]S(=O)(=O)c2c(C)sc(C)c2-c2onc(C)c2C)ccc1Br,C64845822_decoy,ITAL,Decoy,0,-9.37812,-8.29,-1.99,-8.914731086335276
Cc1c(S(=O)(=O)[N-]c2cc(F)ccc2F)cc(-c2nc(-c3ccc(F)cc3)cs2)n1C,C65008795_decoy,ITAL,Decoy,0,-8.32359,-9.34,-4.01,-7.336788356929024
O=C1[C@H]2[C@H](c3cccs3)c3sc([S-])nc3S[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1,C39886730_decoy,ITAL,Decoy,0,-8.2664,-6.59,-2.98,-6.342846536515806
O=C(C[NH+]1CCC(=C(c2ccccc2)c2ccccc2)CC1)N[C@H]1c2ccccc2CSc2ccccc21,C08385613_decoy,ITAL,Decoy,0,-9.40717,-10.25,-1.68,-8.50452003373615
FC(F)(F)c1ccc(/C=C2\C[NH2+]C[C@@H]3C2=NN(Cc2ccccc2)[C@@H]3c2ccc(C(F)(F)F)cc2)cc1,C08448214_decoy,ITAL,Decoy,0,-8.67287,-11.69,-3.65,-10.7641007995119
COc1ccc(/C=C2\C[NH+](C)CC3=C2N=C2SC=C(c4ccc(F)cc4)N2[C@@H]3c2ccc(OC)cc2)cc1,C08738299_decoy,ITAL,Decoy,0,-8.68542,-4.63,-2.65,-5.221719327297933
CC[C@@H]1CCCC[NH+]1Cc1c(O)ccc2c(=O)c(Oc3cc(C)c(Cl)c(C)c3)c(C(F)(F)F)oc12,C08789107_decoy,ITAL,Decoy,0,-8.196,-8.75,-2.26,-11.07007942324531
O=C(Nc1ccc(N2CC[NH+](Cc3ccccc3)CC2)cc1)c1ccc(-c2cc3ccccc3oc2=O)cc1,C08902245_decoy,ITAL,Decoy,0,-8.74919,-6.98,-1.98,-5.723185158093836
COc1cc([C@H]2c3c(oc4ccccc4c3=O)C(=O)N2CC[NH+](C)C)ccc1OCc1ccc(Cl)cc1,C02428185_decoy,ITAL,Decoy,0,-8.11065,-8.04,,99.0
COC(=O)C[NH+]1[C@H](c2ccccc2)c2cc(Br)ccc2N[C@@H]1c1ccc(Br)cc1,C09334320_decoy,ITAL,Decoy,0,-8.41129,-4.33,,99.0
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)[NH+]3CCC(Cc4ccccc4)CC3)cc12,C06322211_decoy,ITAL,Decoy,0,-10.5589,-11.07,-3.42,-10.8573607641199
CCOC(=O)c1c(-c2ccc(C)cc2)csc1NC(=O)C[NH+]1CCC(c2nc3ccccc3s2)CC1,C13121311_decoy,ITAL,Decoy,0,-9.34636,-7.58,-2.61,-7.85612457473447
CCc1c(C)c(C#N)c2nc3ccccc3n2c1N1CC[NH+]([C@@H](c2ccccc2)c2ccccc2Cl)CC1,C05297430_decoy,ITAL,Decoy,0,-10.1105,-5.15,-2.14,-6.228344918286109
FC(F)(F)Oc1ccc(Nc2nc(Cl)nc(N3CC[NH+](C45CC6CC(CC(C6)C4)C5)CC3)n2)cc1,C15303865_decoy,ITAL,Decoy,0,-7.86409,-8.04,-3.95,-6.26861306062293
CCCc1ccc(C(=O)[C@@H]2[C@@H](C(=O)C(C)(C)C)[NH+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1,C16038849_decoy,ITAL,Decoy,0,-7.53065,-5.86,-2.3,-5.462597174518509
CCCc1ccc(C(=O)[C@@H]2[C@H](C(=O)C(C)(C)C)[NH+]3C=Cc4ccccc4[C@@H]3[C@@]23C(=O)Nc2ccccc23)cc1,C16038851_decoy,ITAL,Decoy,0,-9.00089,-5.65,-3.09,-5.937609119498165
CC(=O)OCc1cnc(C)c2o/c(=[NH+]\c3ccc(C)cc3Cl)c(C(=O)Nc3ccc(F)c(F)c3)cc12,C20617552_decoy,ITAL,Decoy,0,-7.83414,-5.57,-3.73,-5.541602688286213
O[C@@H](Cn1c(C(c2ccccc2)c2ccccc2)nc2ccccc21)C[NH+](C1CCCCC1)C1CCCCC1,C27695713_decoy,ITAL,Decoy,0,-9.5596,-9.2,-3.64,-9.986617511672971
Cc1ccc(C[NH+]2CCN(c3nc4sc5c(c4c(=O)n3Cc3ccc(Cl)cc3)CCCC5)CC2)c(C)c1,C34747326_decoy,ITAL,Decoy,0,-8.90212,-8.28,-1.76,-6.988275350989255
CCN(CC)C(=O)C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2Cc2ccc(Cl)cc2)CCCC4)CC1,C34747460_decoy,ITAL,Decoy,0,-8.45476,-6.59,-3.75,-7.179683424395115
CCc1c(C)sc2nc(N3CC[NH+](Cc4ccccc4)CC3)n(CC(=O)Nc3ccccc3C)c(=O)c12,C34749116_decoy,ITAL,Decoy,0,-8.506,-8.38,-2.58,-7.903288490625687
CC1(C)Cc2c(sc3nc(-c4ccccc4)nc(N4CC[NH+](CC(=O)NC5CCCCC5)CC4)c23)CO1,C34749868_decoy,ITAL,Decoy,0,-8.95023,-6.1,,99.0
C=C(C)CSc1nc(N2CC[NH+](Cc3cc(C)ccc3C)CC2)c2c3c(sc2n1)COC(C)(C)C3,C34750020_decoy,ITAL,Decoy,0,-9.29042,-5.49,-2.25,-7.0569380923708
Cc1ccc(C[NH+]2CCN(c3nc(SCc4ccc([N+](=O)[O-])cc4)nc4scc(C)c34)CC2)c(C)c1,C34774577_decoy,ITAL,Decoy,0,-8.16244,-7.56,-3.35,-6.778664325003519
CCCN(Cc1c(CC)nn(-c2ccc(F)cc2)c1N1CC[NH+](C(C)C)CC1)C(=O)COc1ccccc1,C34835424_decoy,ITAL,Decoy,0,-8.81322,-4.76,-3.54,-6.053335827731037
C[C@H](c1nc2ccccc2c(=O)n1-c1ccccc1)N(CC[NH+](C)C)C(=O)C(c1ccccc1)c1ccccc1,C35036945_decoy,ITAL,Decoy,0,-6.73228,-4.01,-3.56,-5.169729915808104
O=C(c1ccc(C[NH+](Cc2ccc(F)cc2)C2CCCCC2)o1)N(CCc1ccccc1)Cc1ccccc1,C35226532_decoy,ITAL,Decoy,0,-8.88811,-9.43,-2.71,-8.647817868449431
C=CCN(CC=C)CC[NH+]1CCN(c2nc(Cc3ccccc3)nc3sc4c(c23)CCN(CC)C4)CC1,C35553142_decoy,ITAL,Decoy,0,-9.04568,-6.34,-2.69,-6.783770380189844
CC(C)c1ccc(OC[C@@H]2c3ccsc3CCN2C(=O)CN(CC[NH+]2CCCC2)C(=O)C2CC2)cc1,C35742049_decoy,ITAL,Decoy,0,-9.55845,-7.58,-2.97,-8.158655328656993
CC(C)c1ccc(OC[C@H]2c3ccsc3CCN2C(=O)CN(CC[NH+]2CCCC2)C(=O)C2CC2)cc1,C35742050_decoy,ITAL,Decoy,0,-8.56872,-7.78,-3.08,-8.429029817731879
COc1cccc(C[NH+]2CCCN(c3nc(Cc4ccc(C)cc4)nc4c3cnn4-c3ccccc3)CC2)c1,C35927822_decoy,ITAL,Decoy,0,-9.02467,-8.17,-3.44,-7.992326761735888
CCc1nn(-c2ccc(F)cc2)c(N2CC[NH+](C(C)C)CC2)c1CN(CC(C)C)C(=O)c1cccc(OC)c1,C35954282_decoy,ITAL,Decoy,0,-9.06183,-7.8,-3.43,-8.436410064243352
O=C(C[C@@H](c1ccc(C(F)(F)F)cc1)c1cn(Cc2ccccc2)c2ccccc12)NCC[NH+]1CCCC1,C37380616_decoy,ITAL,Decoy,0,-8.12451,-9.04,-2.88,-10.027454958773562
COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccc(OC)cc2)N2NC(SC)=NC2=[NH+]3)cc1,C09461547_decoy,ITAL,Decoy,0,-10.5555,-5.53,-1.0,-6.473615820253269
O=C(c1ccccc1)c1cc(Cl)ccc1NC(=O)[C@H]1C(=O)[NH+]=c2ccc(Cl)cc2=C1c1ccccc1,C38604243_decoy,ITAL,Decoy,0,-8.04376,-10.56,-1.91,-8.625493443057891
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCc2ccccc2)c(OC)c1)N(CC[NH+](C)C)C3=O,C38728338_decoy,ITAL,Decoy,0,-8.25262,-6.26,-4.07,-6.565753575009106
Cc1ccc(C)c2sc(N(CCC[NH+](C)C)C(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(F)cc3)nc12,C36660374_decoy,ITAL,Decoy,0,-9.14946,-8.75,-3.0,-11.78244724690784
CC[NH+](CC)CCN(C(=O)[C@H]1CCCN1S(=O)(=O)c1cccs1)c1nc2cc(C)cc(C)c2s1,C36704390_decoy,ITAL,Decoy,0,-8.73474,-6.22,-3.1,-7.814625400703441
Cc1ccc(S(=O)(=O)N2CCC(C(=O)N(CCC[NH+](C)C)c3nc4c(C)cccc4s3)CC2)cc1,C38847406_decoy,ITAL,Decoy,0,-9.71682,-8.66,-2.78,-9.167271440820633
Cc1c(Cl)ccc2sc(N(CCC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)nc12,C38850179_decoy,ITAL,Decoy,0,-8.79566,-6.07,-3.27,-8.319068903976788
Cc1ccccc1-c1noc(C[NH+]2CCC[C@H](C(=O)Nc3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C2)n1,C38887151_decoy,ITAL,Decoy,0,-8.17712,-6.92,-2.05,-6.199315116877712
Cc1ccc(-c2noc(C[NH+]3CCC[C@@H](C(=O)Nc4ccc(C56CC7CC(CC(C7)C5)C6)cc4)C3)n2)cc1,C38891036_decoy,ITAL,Decoy,0,-8.34313,-9.32,-4.38,-7.246022857334049
O=C1[NH+]=c2ccc(Cl)cc2=C(c2ccccc2)[C@H]1Sc1nnc(-c2ccccc2)n1C1CCCCC1,C39237634_decoy,ITAL,Decoy,0,-8.83805,-6.05,-2.18,-5.972928673354562
C[NH+]1CCC2(CC1)CC(=O)c1cc(-c3cccc(C(=O)N[C@H](c4ccccc4)c4cccnc4)c3)ccc1O2,C39302124_decoy,ITAL,Decoy,0,-8.65244,-10.21,-2.85,-9.669399830315832
CC[NH+](CC)CCCN1C(=O)c2oc3cc(C)c(C)cc3c(=O)c2[C@@H]1c1ccc(OCC(C)C)c(OC)c1,C40013627_decoy,ITAL,Decoy,0,-7.6898,-5.89,-1.9,-7.34112172457066
CN1C(=O)N[C@@H](c2cccc(Oc3ccccc3)c2)C2=C1CN(C1CC[NH+](Cc3ccccc3)CC1)C2=O,C40374522_decoy,ITAL,Decoy,0,-7.92104,-6.68,-1.76,-5.790566023151079
CC1CC[NH+](Cc2ccc(CNC(=O)CN(c3cccc(Cl)c3)S(=O)(=O)c3ccccc3)cc2)CC1,C44875742_decoy,ITAL,Decoy,0,-8.99489,-8.38,-3.49,-9.535320473068817
CC(C)c1ccc(C2=Nc3[nH+]c4ccccc4n3[C@H](c3cc(Br)ccc3OC(F)F)C2)cc1,C20755388_decoy,ITAL,Decoy,0,-9.92577,-11.12,-3.1,-11.171278313734753
Cc1ccc(OCCOc2ccc(/C=C3/C(=[NH2+])N4N=C(c5ccccc5Cl)SC4=NC3=O)cc2)cc1,C19853970_decoy,ITAL,Decoy,0,-9.21869,-6.68,-3.47,-6.300943077656754
CCn1cc(/C=C2/Oc3c(C[NH+]4CCN(c5ccccc5F)CC4)c(O)cc(C)c3C2=O)c2ccccc21,C41585413_decoy,ITAL,Decoy,0,-8.5293,-8.09,-3.45,-7.48265172844664
CCOC(=O)[C@H]1CCC[NH+](Cc2c(O)ccc3c(=O)c(Oc4ccccc4Br)c(C)oc23)C1,C41586672_decoy,ITAL,Decoy,0,-7.98065,-6.7,-2.28,-8.220561734040514
Cc1ccc(S(=O)(=O)/N=C2\N=c3ccccc3=[NH+][C@H]2Nc2cccc3c(-c4ccccc4)ccnc23)cc1,C39976431_decoy,ITAL,Decoy,0,-7.86779,-9.8,-3.54,-7.797010789660363
Cc1ccc(S(=O)(=O)c2cc3ccccc3o/c2=[NH+]\NS(=O)(=O)c2ccc(C(C)(C)C)cc2)cc1,C20615244_decoy,ITAL,Decoy,0,-9.81829,-6.04,-4.17,-6.472057569681287
COc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)[NH+](Cc3ccccc3)Cc3cccs3)cc2c1,C06014928_decoy,ITAL,Decoy,0,-8.88907,-9.22,-3.35,-9.617252378147054
CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCC[C@@H]3C)cc2)sc2c1CC[NH+](CC)C2,C03007041_decoy,ITAL,Decoy,0,-9.21253,-6.0,-3.41,-6.762504583244062
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+](Cc1ccco1)Cc1cccs1,C06149118_decoy,ITAL,Decoy,0,-9.5351,-8.35,-2.87,-11.426630262095689
CCC(C)(C)n1nnnc1[C@@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+](Cc1ccc(F)cc1)Cc1ccco1,C06149146_decoy,ITAL,Decoy,0,-8.14779,-9.24,-4.51,-9.200576866211572
CCOc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1,C06196774_decoy,ITAL,Decoy,0,-10.1831,-9.2,-1.99,-9.714033259933274
CCc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C[C@@H]3CCCO3)[NH+]3CCC(Cc4ccccc4)CC3)cc2c1,C06198023_decoy,ITAL,Decoy,0,-9.59434,-9.47,-3.67,-10.601983929493048
CCc1ccc2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)CC)[NH+](Cc3ccco3)Cc3cccs3)cc2c1,C06198174_decoy,ITAL,Decoy,0,-8.61894,-7.29,-1.57,-8.057275903729222
Cc1ccc2nc(N(CC[NH+](C)C)C(=O)c3ccc(S(=O)(=O)N(C)C[C@@H]4CCCO4)cc3)sc2c1,C09603821_decoy,ITAL,Decoy,0,-8.22653,-7.67,-3.34,-8.103299702038534
CN(C[C@@H]1CCCO1)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3c(F)cccc3s2)cc1,C09603993_decoy,ITAL,Decoy,0,-7.81537,-8.16,-2.24,-7.905375848731253
CC[NH+](CC)CCN(C(=O)CCCS(=O)(=O)c1ccc(F)cc1)c1nc2c(Cl)cccc2s1,C09914454_decoy,ITAL,Decoy,0,-10.2414,-8.09,-2.32,-10.22531036887478
COc1ccc(Cn2nnnc2C[NH+](Cc2ccc(F)cc2)Cc2cc3cc(C)cc(C)c3[nH]c2=O)cc1,C12833054_decoy,ITAL,Decoy,0,-7.23163,-9.84,-3.53,-9.871327196309975
COc1ccccc1C[NH+](Cc1cc2c(C)ccc(C)c2[nH]c1=O)Cc1nnnn1Cc1ccc(F)cc1,C13032782_decoy,ITAL,Decoy,0,-8.70552,-10.24,-2.51,-10.698546947565177
CC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+](Cc1cccs1)Cc1cc2ccc(OC)cc2[nH]c1=O,C13064329_decoy,ITAL,Decoy,0,-9.22133,-9.0,-3.99,-9.189475506899251
CC[C@H](c1nnnn1Cc1ccc(F)cc1)[NH+](Cc1cccnc1)Cc1cc2cc(C)c(C)cc2[nH]c1=O,C13064694_decoy,ITAL,Decoy,0,-8.14986,-9.45,-3.49,-10.909830339999331
CC[C@H](c1nnnn1C1CCCCC1)[NH+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,C13065202_decoy,ITAL,Decoy,0,-8.12585,-9.45,-2.84,-9.394454486789789
CC[C@@H](c1nnnn1C1CCCCC1)[NH+](Cc1ccc(OC)cc1)Cc1cc2c(C)ccc(C)c2[nH]c1=O,C13065203_decoy,ITAL,Decoy,0,-9.88098,-9.43,-4.28,-10.010233106187169
Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)[NH+](Cc3ccccc3)Cc3ccco3)c(=O)[nH]c2c1,C06410118_decoy,ITAL,Decoy,0,-8.30107,-8.89,-2.8,-9.375214109090011
COCCn1nnnc1[C@H](c1cc2cc(C)ccc2[nH]c1=O)[NH+](Cc1ccccc1)Cc1ccc(F)cc1,C06408711_decoy,ITAL,Decoy,0,-8.14051,-8.48,-1.79,-9.357202025618504
COc1cc(OC)cc(C(=O)N(Cc2cc3cc4c(cc3[nH+]c2N2CCOCC2)CCC4)C[C@H]2CCCO2)c1,C14999059_decoy,ITAL,Decoy,0,-8.39933,-8.31,-3.4,-8.26083146444695
Cc1ccc(-n2c(SCc3nc(C(=O)NCC[NH+]4CCCCC4)cs3)nnc2-c2cccnc2)cc1,C16461109_decoy,ITAL,Decoy,0,-9.25351,-8.75,-2.15,-8.482008368460358
CCCN(Cc1cccn1Cc1nc(C(=O)NCC[NH+]2CCCCC2)cs1)C(=O)c1ccc(F)cc1,C16534395_decoy,ITAL,Decoy,0,-9.76127,-8.14,-3.47,-11.55555810318169
CCCN(Cc1cccn1Cc1nc(C(=O)NCCC[NH+]2CCCC[C@H]2C)cs1)C(=O)c1ccccc1,C16566436_decoy,ITAL,Decoy,0,-8.76245,-6.56,-3.39,-7.137917015970393
CC[NH+](CC)CCNc1nc(SC)nc2c1sc1nc(N3CCOCC3)c3c(c12)CC(C)(C)OC3,C20357364_decoy,ITAL,Decoy,0,-7.7617,-5.03,-2.82,-5.523422545139978
COc1ccc(/C=C2/Sc3ccc(C(=O)NCC[NH+](CC(C)C)CC(C)C)cc3NC2=O)cc1OC,C20736476_decoy,ITAL,Decoy,0,-7.82327,-7.17,,99.0
COc1cc(C[NH2+]CCSc2nnnn2-c2ccccc2)ccc1OCc1ccc(Cl)c(Cl)c1,C22108063_decoy,ITAL,Decoy,0,-8.41637,-7.73,-3.84,-9.422509474944606
CCOc1ccc(-c2ccc(=O)n(CC[NH+]3CCN(S(=O)(=O)c4ccc(F)c(Cl)c4)CC3)n2)cc1,C23244643_decoy,ITAL,Decoy,0,-9.16135,-7.48,-2.68,-8.32787744657992
COC(=O)C[C@@H](c1ccc(OC)nc1)N(C)C(=O)CCCCc1[nH+]c2c(cc1-c1ccccc1)CCCN2,C26002006_decoy,ITAL,Decoy,0,-8.73589,-7.49,-3.77,-7.0866606708468
CCOC(=O)c1ccc(Oc2c(C)oc3c(C[NH+]4CCN(c5ccccc5)CC4)c(O)ccc3c2=O)cc1,C27099818_decoy,ITAL,Decoy,0,-9.27259,-6.47,-2.45,-5.901466766836075
Cc1ccc2c(c1)n(Cc1cccc(F)c1)c(=O)c1nc(C(=O)NCCC[NH+](C)Cc3ccccc3)nn12,C32984974_decoy,ITAL,Decoy,0,-8.7819,-5.56,-3.49,-6.561740755473092
CCOC(=O)CNc1c(-c2cccc(OS(=O)(=O)c3ccc4ccccc4c3)c2)[nH+]c2cccc(C)n12,C33662411_decoy,ITAL,Decoy,0,-9.04211,-6.03,-3.53,-6.021540257508155
Cc1ccc(S(=O)(=O)N(CC[NH+]2CCCC2)CC(=O)N(CCc2ccccc2)Cc2ccc(C)o2)cc1,C35377347_decoy,ITAL,Decoy,0,-9.06776,-8.12,-1.99,-8.378051692601193
COc1ccc(C[NH+](Cc2nc(C(=O)NCCc3ccccn3)cs2)[C@@H](C)c2ccccc2)c(OC)c1,C35404758_decoy,ITAL,Decoy,0,-9.51175,-7.43,-3.33,-10.06188872755284
CN1C(=O)N[C@@H](c2ccc(C(C)(C)C)cc2)C2=C1CN(CC(=O)N(CC[NH+](C)C)Cc1ccccc1)C2=O,C35934485_decoy,ITAL,Decoy,0,-7.94076,-5.71,-4.33,-7.062795090498765
COCC[NH+](Cc1nc2scc(-c3ccc(C)cc3)c2c(=O)[nH]1)C[C@H](O)COc1ccc(Cl)cc1,C36207639_decoy,ITAL,Decoy,0,-8.06166,-7.97,-2.34,-8.48181303286787
C#CCOC[C@@H](O)C[NH+](Cc1c(C)nn(-c2ccccc2)c1Oc1ccc(F)cc1F)C[C@@H]1CCCO1,C36304248_decoy,ITAL,Decoy,0,-9.42102,-7.59,-2.44,-8.914309014650033
COCCCN(Cc1c(-c2ccc(F)cc2)noc1N1CC[NH+](C)CC1)S(=O)(=O)c1ccc(C)cc1,C36312921_decoy,ITAL,Decoy,0,-9.13241,-7.81,-2.64,-9.185237077347146
CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(CC[NH+](C)C)c2nc3ccc(OCC)cc3s2)cc1,C36637314_decoy,ITAL,Decoy,0,-8.19309,-6.19,-1.72,-6.639657687690463
CCCCN(C)S(=O)(=O)c1ccc(C(=O)N(CCC[NH+](C)C)c2nc3cc(OC)ccc3s2)cc1,C36643631_decoy,ITAL,Decoy,0,-8.65566,-6.16,-2.68,-7.158527362815493
CCC[NH+]1CCc2c(sc(NC(=O)[C@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)c2C(=O)OCC)C1,C36660259_decoy,ITAL,Decoy,0,-8.39892,-6.61,-2.26,-8.520216696081055
COc1ccc(S(=O)(=O)N2CCC[C@@H]2C(=O)N(CCC[NH+](C)C)c2nc3ccc(F)cc3s2)cc1,C36660407_decoy,ITAL,Decoy,0,-7.89563,-6.53,-3.6,-7.234563339494056
CC[NH+](CC)CCN(C(=O)CCS(=O)(=O)c1ccc(OC)cc1)c1nc2c(OC)ccc(C)c2s1,C38827791_decoy,ITAL,Decoy,0,-9.66295,-7.65,-1.88,-10.732293014063272
CCOc1ccc2nc(N(CC[NH+](CC)CC)C(=O)c3ccc(S(=O)(=O)N(C)C4CC4)cc3)sc2c1,C38850144_decoy,ITAL,Decoy,0,-8.7281,-5.87,-3.5,-7.170675459780981
CC[NH+](CC)CCCN1C(=O)c2oc3ccc(F)cc3c(=O)c2[C@@H]1c1ccc(OCCC(C)C)c(OC)c1,C40014226_decoy,ITAL,Decoy,0,-8.26804,-7.17,-3.28,-7.777142297029866
C[NH+](C)CCN(Cc1ccccc1)C(=O)Cc1csc(NC(=O)CN(C(=O)C2CCCCC2)C2CC2)n1,C00690237_decoy,ITAL,Decoy,0,-8.28343,-6.87,-2.45,-7.149700525986892
CCCCC1=NN2C(=[NH2+])/C(=C/c3ccc(OCCOc4c(C)cccc4C)c(OCC)c3)C(=O)N=C2S1,C27549390_decoy,ITAL,Decoy,0,-7.54336,-8.32,-4.26,-6.897644899150087
CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccccc2F)nc2c1c(C)nn2[C@@H]1CCS(=O)(=O)C1,C57312004_decoy,ITAL,Decoy,0,-11.1178,-4.52,-4.24,-5.986671029188947
CC[NH+](CC)CCC[C@H](C)NC(=O)c1cc(-c2ccccc2F)nc2c1c(C)nn2[C@H]1CCS(=O)(=O)C1,C57312009_decoy,ITAL,Decoy,0,-10.093,-8.22,-2.94,-8.904750346276888
Cc1ccc(S(=O)(=O)N[C@@H](CC2=c3ccccc3=[NH+]C2)C(=O)Oc2ccc3c(C)cc(=O)oc3c2)cc1,C63350713_decoy,ITAL,Decoy,0,-8.77821,-9.51,-2.92,-8.897680787380319
CCOc1ccc(CC(=O)N(CCC2=c3cc(OC)ccc3=[NH+][C@@H]2C)Cc2ccccc2F)cc1OCC,C63514247_decoy,ITAL,Decoy,0,-6.76619,-7.04,,99.0
COc1ccc(NC(=S)N(CCC2=c3ccccc3=[NH+][C@H]2C)Cc2cc(OC)c(OC)c(OC)c2)cc1,C63655011_decoy,ITAL,Decoy,0,-8.02736,-8.63,-2.3,-8.221559377541913
Cc1ccc(-c2csc(NC(=O)c3cc4c(ccc5ccccc54)oc3=O)n2)o1,C04174159_decoy,ITAL,Decoy,0,-8.67835,-6.09,-3.62,-5.764692391525518
Cc1cc(C)nc(-n2nc(C)c3c2NC2=CC(C)(C)CC(=O)[C@H]2[C@@H]3c2cccs2)n1,C03256820_decoy,ITAL,Decoy,0,-7.82191,-5.28,-1.69,-4.365146496787657
CCSc1nnc2c(n1)O[C@H](c1cccnc1)Nc1ccc(Br)cc1-2,C00683715_decoy,ITAL,Decoy,0,-8.66054,-5.2,-1.86,-5.013934271165535
Cc1cccc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(O)c2)n1,C01315221_decoy,ITAL,Decoy,0,-9.36143,-5.34,-1.64,-4.782558752840252
Cc1nn(-c2ccc(F)cc2)c2ncc(C(=O)Nc3ccccc3C#N)c(Cl)c12,C05313954_decoy,ITAL,Decoy,0,-7.02412,-6.33,-2.08,-5.60210542345694
O=C1c2ccccc2C(=O)c2c(NC(=O)c3coc4ccccc4c3=O)cccc21,C06345037_decoy,ITAL,Decoy,0,-7.6218,-9.94,,99.0
CC1(C)Cc2c(c(N3CCOCC3)[nH+]c3sc4c([S-])nc(S)nc4c23)CO1,C01839742_decoy,ITAL,Decoy,0,-9.30747,-4.42,-0.5,-3.828041715096698
Cc1c(C(=O)CN2C(=O)N[C@@]3(CCOc4ccccc43)C2=O)sc2ccccc12,C09647915_decoy,ITAL,Decoy,0,-8.63412,-8.94,-4.02,-7.060997505780647
COc1cccc2cc(C(=O)NC(C)=O)/c(=N/c3cccc(Br)c3)oc12,C09659976_decoy,ITAL,Decoy,0,-8.08174,-4.9,-1.25,-4.979918270215844
Cc1cc(=O)n2c(-c3cccc(NC(=O)c4ccc(Br)o4)c3)csc2n1,C11768245_decoy,ITAL,Decoy,0,-8.39133,-8.16,-2.2,-7.0955800123279
O=C(Nc1nc(C23CC4CC(CC(C4)C2)C3)cs1)c1cnc2ccccn2c1=O,C12744635_decoy,ITAL,Decoy,0,-7.08185,-7.14,-1.88,-4.246407601654856
Cc1nc2ccc(I)cn2c1/C=N/Nc1ccc(Cl)nn1,C09086945_decoy,ITAL,Decoy,0,-7.28622,-7.1,-2.24,-6.264263494282
Cc1csc2nc(-c3ccc(NC(=O)c4cc5ccccc5oc4=O)cc3)cn12,C05083796_decoy,ITAL,Decoy,0,-6.41142,-6.85,-2.73,-5.012843112435561
O=S(=O)(Nc1cccc(Cl)c1)c1nc2nc(Cl)nc(Cl)c2s1,C15444256_decoy,ITAL,Decoy,0,-8.68125,-8.34,-2.28,-7.859348443417535
Cc1ccc(N2C[C@@H](C(=O)Nc3nc4c(s3)C(=O)CC(C)(C)C4)CC2=O)c(C)c1,C15466225_decoy,ITAL,Decoy,0,-7.3088,-9.25,-1.58,-6.670051163088095
O=C1[C@H]2Cc3c([nH]c4ccccc34)[C@H](c3ccccc3)N2C(=O)CN1/N=C/c1ccccc1,C16032420_decoy,ITAL,Decoy,0,-9.33907,-5.19,-2.43,-5.762372214401294
CC(C)N1C(=O)NC(=O)[C@]2(Cc3ccccc3N3C[C@@H](c4ccccc4)C[C@@H]32)C1=O,C08995647_decoy,ITAL,Decoy,0,-9.14978,-10.96,-1.97,-10.296418651478268
Cc1nn(-c2ccccc2)c2sc(C(=O)/C=C3\NCCc4cc5c(cc43)OCO5)cc12,C13606797_decoy,ITAL,Decoy,0,-8.37625,-9.04,-2.6,-6.656539171078239
CN(C)C(=O)c1ccc2c(c1)[C@H]1C=CC[C@@H]1[C@@H](c1cc([N+](=O)[O-])ccc1Cl)N2,C20706557_decoy,ITAL,Decoy,0,-7.88811,-6.69,-1.25,-6.88672470414371
Cc1nn(-c2nc3ccccc3n2C)c2c1[C@@H](c1ccc(F)cc1Cl)CC(=O)N2,C21660836_decoy,ITAL,Decoy,0,-7.27857,-9.28,-1.61,-6.791909133842583
Cc1nn(-c2nc3ccccc3n2C)c2c1[C@H](c1cc(Cl)ccc1F)CC(=O)N2,C21660837_decoy,ITAL,Decoy,0,-8.17414,-5.98,-1.39,-5.641788673130579
Cc1nn(-c2nc3ccccc3n2C)c2c1[C@@H](c1cccc(C(F)(F)F)c1)CC(=O)N2,C21660843_decoy,ITAL,Decoy,0,-7.13946,-9.94,-2.43,-6.892701427145949
COc1ccc2nc(-n3nc(C)c4c3NC(=O)C[C@H]4c3c(F)cccc3F)sc2c1,C21661150_decoy,ITAL,Decoy,0,-9.25326,-5.87,-0.63,-6.392200106471371
Cc1ccc2c(c1)NC(=O)c1cc(S(=O)(=O)N3CCc4ccccc4C3)ccc1O2,C21723206_decoy,ITAL,Decoy,0,-7.54388,-9.43,-1.69,-6.58819866738549
Fc1ccccc1[C@H]1Oc2ccccc2C2=C1[C@@H](c1cccs1)n1nnnc1N2,C28060416_decoy,ITAL,Decoy,0,-7.85828,-5.03,-1.13,-3.873419992693816
Cc1cc(C)c(-c2csc(NC(=O)c3ccc4c(c3)C(=O)N(C)C4=O)n2)cc1C,C28641643_decoy,ITAL,Decoy,0,-7.97213,-5.89,-4.72,-5.027515448690423
Cc1[nH]/c(=N\C(=O)c2cc([N+](=O)[O-])ccc2I)sc1C,C33228853_decoy,ITAL,Decoy,0,-6.3582,-3.44,-0.71,-3.853602462785894
COc1ccc2cc(C(=O)Nc3nc4ccc(Br)cc4s3)c(=O)oc2c1,C33809606_decoy,ITAL,Decoy,0,-7.8652,-4.62,-2.07,-4.3976965575756655
CC1([C@H]2CC[C@@H]3[C@@H]4C[C@@H]5O[C@@]56CC5(CC[C@@]6(C)[C@H]4[C@H](O)C[C@]32C)OCCO5)OCCO1,C34770018_decoy,ITAL,Decoy,0,-9.31898,-5.15,-1.8,-4.457239174082476
CCN1C(=O)[C@]2(SCCN2C(=O)Nc2ccc(OC)cc2)c2cc(F)ccc21,C36151713_decoy,ITAL,Decoy,0,-6.08539,-4.6,-0.95,-4.318150633839981
Fc1ccccc1[C@H]1C2=C(N=C3N=CNN31)c1cc(Cl)ccc1O[C@@H]2c1ccncc1,C09463148_decoy,ITAL,Decoy,0,-8.55224,-5.05,-2.06,-4.777558353517235
Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccnc2)N2NC=NC2=N3)cc1,C09293298_decoy,ITAL,Decoy,0,-8.37098,-9.07,0.08,-9.824735634566585
COc1cc(O)c2c(c1)C/C(I)=N/c1c(Cl)ncnc1N2C,C39479530_decoy,ITAL,Decoy,0,-8.23915,-7.46,-0.67,-6.558999952542353
Cc1sc2nc([C@H](C)Sc3nc4sc(C)c(C)c4c(=O)n3C)[nH]c(=O)c2c1C,C24774370_decoy,ITAL,Decoy,0,-8.69775,-5.53,-2.8,-5.174912350151608
Cc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(c1ncccc1C)C3=O,C40008380_decoy,ITAL,Decoy,0,-8.3292,-5.15,-2.56,-4.95366471860282
CCc1ccc2oc3c(c(=O)c2c1)[C@H](c1cccc(O)c1)N(c1cccc(C)n1)C3=O,C40045172_decoy,ITAL,Decoy,0,-9.03376,-4.93,-1.89,-5.380379865313317
Cc1cc2oc3c(c(=O)c2cc1Cl)[C@H](c1ccc(O)cc1)N(c1nccs1)C3=O,C40055821_decoy,ITAL,Decoy,0,-9.259,-4.78,-1.71,-4.567695476811125
Cc1cccc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2cccc(O)c2)n1,C40056366_decoy,ITAL,Decoy,0,-8.78409,-5.9,-1.48,-5.257832619017955
Cc1ccc(-n2c(C)nc3nc(N4CCc5ccccc5C4)[nH]c(=O)c3c2=S)c(C)c1,C40386901_decoy,ITAL,Decoy,0,-8.09812,-5.14,-1.81,-3.4054548366298163
COc1ccc([C@@H]2CC(=O)C3=C(C2)Nc2nc(C)nn2[C@@H]3c2cc(F)cc(F)c2)cc1,C17092963_decoy,ITAL,Decoy,0,-8.58234,-9.75,-2.12,-10.951962832449256
Cc1cccc(-n2nc(C)c3c2NC(=O)[C@H](C)S[C@@H]3c2ccc3c(c2)OCO3)c1,C06679133_decoy,ITAL,Decoy,0,-8.81598,-6.48,-1.87,-5.743220298720878
CCn1c2ccccc2c2cc(NC(=O)c3cc(C)nc4c3c(C)nn4C)ccc21,C58544042_decoy,ITAL,Decoy,0,-8.37488,-5.67,-3.85,-5.4664897724338575
Cc1ccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c2ccc(C)c4C)N2CCC[C@@H]32)cc1C,C35805232_decoy,ITAL,Decoy,0,-7.54759,-4.82,-0.8,-4.270594781957701
O=C(Nc1ccc2c(c1)CCC2)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12,C07801968_decoy,ITAL,Decoy,0,-8.15054,-8.56,-2.31,-9.408441448483313
Cc1cccc(N2C(=O)[C@H]3[C@@H](C2=O)[C@]2(C(=O)Nc4c2ccc(C)c4C)N2CCC[C@@H]32)c1C,C15954601_decoy,ITAL,Decoy,0,-7.98915,-4.98,-2.22,-3.909640487680712
Cc1nn(-c2ccc(Cl)nn2)c2c1[C@@H](c1ccccc1Br)CC(O)=N2,C32071922_decoy,ITAL,Decoy,0,-8.88753,-8.65,-1.79,-8.134813667755436
Cc1ccc(-c2cc3nc(-c4ccnc(S(C)(=O)=O)c4)[nH]c(=O)c3s2)cc1,C63925876_decoy,ITAL,Decoy,0,-8.3326,-6.5,-2.11,-5.378135325513904
C[C@H]1CCc2[nH]/c(=N\S(=O)(=O)[C@H]3CS(=O)(=O)c4ccccc43)sc2C1,C66249706_decoy,ITAL,Decoy,0,-8.12729,-5.35,-1.64,-5.657220088131674
O=C(Nc1ccc(F)c(F)c1)c1ccc2c(c1)SC1=NS(=O)(=O)CCN12,C15011490_decoy,ITAL,Decoy,0,-8.41743,-5.65,-1.85,-4.819894048515513
Cc1ccc2nc(C)c(C(=O)Nc3ccc(-c4nnc5n4CCCC5)cc3)cc2c1,C66803232_decoy,ITAL,Decoy,0,-7.8335,-9.81,-2.86,-9.374311411304848
CCS(=O)(=O)c1ccc2oc(SCC(=O)N3c4ccccc4Sc4ccccc43)nc2c1,C03247269_decoy,ITAL,Decoy,0,-8.21656,-9.86,-1.09,-10.430141899029444
N#C/C(=C\c1cn(-c2ccccc2)nc1-c1cc2ccccc2o1)S(=O)(=O)c1ccc(Cl)cc1,C03635781_decoy,ITAL,Decoy,0,-8.37055,-6.05,-2.22,-5.543823131566529
COC(=O)c1ccc(/C=C(/C#N)c2nc(-c3cc4cc(Br)ccc4oc3=O)cs2)cc1,C08771157_decoy,ITAL,Decoy,0,-8.38929,-6.74,-1.73,-6.167254580670357
COc1ccc2c(c1)O/C(=C\c1cccc(OS(=O)(=O)c3ccc(Br)cc3)c1)C2=O,C08823687_decoy,ITAL,Decoy,0,-8.05037,-8.65,-2.78,-7.050845606482743
COc1ccc2c(c1)O/C(=C\c1ccc(OS(=O)(=O)c3ccc(Br)cc3)cc1)C2=O,C08823693_decoy,ITAL,Decoy,0,-7.94523,-8.42,-1.76,-6.505020273428007
O=C(c1cc2c(ccc3ccccc32)oc1=O)N(/N=C/c1cccs1)c1nc2ccccc2s1,C09147904_decoy,ITAL,Decoy,0,-9.38118,-9.95,-2.15,-8.549909905431006
Cc1ccc(Cc2nn3c(=O)/c(=C/c4ccc(-c5cccc(C(F)(F)F)c5)o4)sc3nc2=O)cc1,C09158069_decoy,ITAL,Decoy,0,-8.41805,-9.74,-3.29,-7.481876703408834
COc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1,C02355292_decoy,ITAL,Decoy,0,-10.0798,-5.68,-1.41,-5.656559460675332
O=C(Oc1ccc2c(c1)O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O)c1cccs1,C09477080_decoy,ITAL,Decoy,0,-7.76528,-6.39,-3.35,-5.432108335296539
O=C(c1cc2c(ccc3ccccc32)oc1=O)N(Cc1ccccn1)c1nc2c(F)cccc2s1,C09401775_decoy,ITAL,Decoy,0,-10.1737,-8.78,-2.25,-8.431606538249563
Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(S[C@@H](C)C(=O)c4ccc(F)c(F)c4)nnc23)c1,C09558727_decoy,ITAL,Decoy,0,-8.58829,-9.94,,99.0
CC(C)N(C)S(=O)(=O)c1ccc(C(=O)/N=c2\sc3cc(Br)ccc3n2C)cc1,C10098186_decoy,ITAL,Decoy,0,-7.404,-5.05,-3.04,-4.979791373871209
C[C@@H]1CCc2c(sc3ncn4c(SCC(=O)N(c5ccccc5)c5ccccc5)nnc4c23)C1,C00929559_decoy,ITAL,Decoy,0,-8.95814,-9.43,-2.57,-8.227308375181098
O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccc(F)cc1,C03003740_decoy,ITAL,Decoy,0,-8.02768,-8.12,-2.37,-6.732321156211979
Cc1cc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc4ccccc4n3c2=O)ccc1OC(C)C,C13240116_decoy,ITAL,Decoy,0,-7.85497,-6.78,-2.04,-5.650875610352357
Ic1ccc(-n2nnnc2-c2cnn(-c3ccccc3)c2-c2ccccc2)cc1,C01041337_decoy,ITAL,Decoy,0,-8.11776,-6.59,-2.34,-7.033849249879992
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(C(C)(C)C)cc1)N(c1nnc(CC(C)C)s1)C3=O,C02406927_decoy,ITAL,Decoy,0,-9.89874,-4.28,-3.04,-5.592570156830629
Cn1cc(I)c(-c2nc3c4c5c(sc4ncn3n2)C[C@@H](C(C)(C)C)CC5)n1,C02798269_decoy,ITAL,Decoy,0,-9.01475,-4.36,-4.14,-4.415024400864374
Cc1ccc(-c2noc(CSc3nc4sc5c(c4c(=O)n3-c3ccccc3)CCCC5)n2)cc1,C02997310_decoy,ITAL,Decoy,0,-8.79609,-7.02,-2.11,-6.440004458364166
Cc1ccc2c(c1)-n1c(-c3ccccc3C)c3c(=O)n(C)c(=O)n(C)c3c1[C@@H](c1cccc(F)c1)O2,C15858853_decoy,ITAL,Decoy,0,-4.68555,-5.75,-2.14,-2.957234110207256
COc1ccc(-c2cc(C(=O)N3C[C@]4(C)C[C@H]3CC(C)(C)C4)n(-c3ccc(C)cc3C)n2)c(OC)c1,C16573519_decoy,ITAL,Decoy,0,-7.91529,-7.99,,99.0
C[C@H](Sc1nc2ccccc2c(=O)n1-c1ccc(F)c(Cl)c1)c1nnc(-c2cccs2)o1,C17671253_decoy,ITAL,Decoy,0,-9.19025,-7.73,-3.05,-7.914405205256844
Cc1onc(-c2ccccc2Cl)c1C(=O)N(C[C@@H]1CCCO1)c1nc2c(Cl)cccc2s1,C22889687_decoy,ITAL,Decoy,0,-8.50849,-5.12,-2.25,-6.238945124314129
Cc1c(/N=c2/scc(-c3ccccc3F)n2N=C2CCC(C)CC2)c(=O)n(-c2ccccc2)n1C,C12564169_decoy,ITAL,Decoy,0,-8.42175,-7.84,,99.0
CCC(=O)N1c2c(C)cc(C)cc2-c2nnc(SCC(C)C)nc2O[C@H]1c1cc(F)ccc1F,C32997608_decoy,ITAL,Decoy,0,-8.55983,-5.79,-3.22,-5.994943859504073
Cc1ccccc1OCc1nc2s/c(=C\c3ccc(-c4cccc(Cl)c4Cl)o3)c(=O)n2n1,C33568051_decoy,ITAL,Decoy,0,-7.36296,-8.43,-3.8,-5.842260558263533
Cc1ccc(OCc2nc3s/c(=C\c4ccc(-c5c(Cl)cccc5Cl)o4)c(=O)n3n2)cc1,C33568366_decoy,ITAL,Decoy,0,-9.31789,-8.74,-2.31,-9.135386675982124
Cc1ccc2c(c1)Oc1ccc(C)cc1C(N1CCN(S(=O)(=O)c3ccc(C)c(F)c3)[C@H](C)C1)=N2,C34814827_decoy,ITAL,Decoy,0,-7.9356,-10.66,-2.96,-7.111816256778347
Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4cccs4)nn3c2=O)c(C)c1,C34990035_decoy,ITAL,Decoy,0,-8.39311,-9.49,-3.08,-7.316716462634031
Cc1ccc(S(=O)(=O)N2CCN(c3nc(C(C)C)nc4sc5c(c34)CC[C@H](C)C5)CC2)cc1,C35867896_decoy,ITAL,Decoy,0,-8.0109,-5.29,-1.81,-4.966763067430385
Cc1ccc(C)c(-n2nc(-c3c(C)nc4c(OCc5c(F)cccc5Cl)cccn4c3=O)cc2C)c1,C35911425_decoy,ITAL,Decoy,0,-8.69826,-9.5,-3.02,-7.868575340282456
C[C@@H]1[C@H](N2C(=O)c3ccc4c5c(ccc(c35)C2=O)C(=O)N([C@@H]2CCC[C@H](C)[C@H]2C)C4=O)CCC[C@@H]1C,C36019151_decoy,ITAL,Decoy,0,-8.10809,-7.34,-2.64,-6.321211550982978
Cc1ccc(/C=C2\SC(N3CCN(C4=NC(=O)/C(=C\c5ccc(C)cc5)S4)CC3)=NC2=O)cc1,C17293515_decoy,ITAL,Decoy,0,-8.99594,-5.71,-1.92,-6.022760930180196
CC1=C(C#N)C(=O)N([C@H](C)c2ccccc2)C(=O)/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1,C38607293_decoy,ITAL,Decoy,0,-9.01014,-5.91,-3.64,-5.992976518111612
CCOc1ccc2c(=O)c3c(oc2c1)C(=O)N(c1nc(C)c(C)s1)[C@@H]3c1ccc(C(C)(C)C)cc1,C38727646_decoy,ITAL,Decoy,0,-8.49343,-4.9,-4.35,-5.430719407707288
CC(C)(C)[C@H]1CCC2=C3C(=O)N=C(c4ccc(OS(=O)(=O)c5ccccc5)cc4)N=C3S[C@H]2C1,C39280249_decoy,ITAL,Decoy,0,-7.80045,-6.16,-3.69,-5.402708071867485
COn1c(C)c(S(=O)(=O)C(C)C)c2c1-c1nc3ccccc3c(Cc3ccccc3)c1C(=O)CC2,C39456512_decoy,ITAL,Decoy,0,-9.02199,-5.85,-3.04,-5.834131250514328
COn1c(C)c(Cc2ccccc2)c2c1-c1nc3ccccc3c(S(=O)(=O)C(C)C)c1C(=O)CC2,C39457659_decoy,ITAL,Decoy,0,-8.86267,-5.96,-1.76,-6.2153335484952645
CCCN1C(=O)/C(=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)SC1=S,C39835825_decoy,ITAL,Decoy,0,-9.64397,-4.91,-1.75,-5.730156871911172
CC[C@H](C)N1C(=O)/C(=C\c2c(Oc3ccccc3Cl)nc3c(C)cccn3c2=O)SC1=S,C39835963_decoy,ITAL,Decoy,0,-9.31518,-9.0,-2.44,-8.89574756524413
CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(OC)c(Cl)c2)c1,C39874387_decoy,ITAL,Decoy,0,-8.7516,-8.88,-2.62,-7.721959207603567
CCOc1ccc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc1OC,C39877575_decoy,ITAL,Decoy,0,-7.6526,-5.19,-1.89,-5.443032462409049
CCc1ccc2oc3c(c(=O)c2c1)[C@@H](c1cccc(Oc2ccccc2)c1)N(c1cccc(C)n1)C3=O,C40045009_decoy,ITAL,Decoy,0,-8.30936,-6.09,,99.0
Cc1cc(C)c2oc3c(c(=O)c2c1)[C@H](c1ccc(OCc2ccccc2)cc1)N(c1nccs1)C3=O,C40045640_decoy,ITAL,Decoy,0,-8.98482,-5.77,-3.77,-5.736089971827962
COc1ccc2nc(N3C(=O)c4oc5cc(C)cc(C)c5c(=O)c4[C@@H]3c3ccccc3F)sc2c1,C40058716_decoy,ITAL,Decoy,0,-8.63586,-4.56,-2.15,-4.502308038633812
CC(=O)c1sc(N2C(=O)c3oc4c(C)c(C)ccc4c(=O)c3[C@H]2c2ccc(C(C)C)cc2)nc1C,C40066088_decoy,ITAL,Decoy,0,-10.7211,-4.84,-2.51,-5.274731600893766
COc1ccc([C@H]2[C@H]3C(=Nc4nc(SC)nn42)c2cc(C)ccc2O[C@H]3c2ccc(F)cc2)cc1,C50629983_decoy,ITAL,Decoy,0,-8.98987,-5.19,-2.93,-5.6803761310685
Clc1ccc2c(c1)C1=Nc3ncnn3[C@H](c3cccnc3)[C@H]1[C@@H](c1cccc(Br)c1)O2,C50631389_decoy,ITAL,Decoy,0,-9.88542,-9.09,-4.48,-8.338885261813322
C[C@@H]1CCC2=C3C(=O)N=C(COC(=O)c4cc(-c5cccs5)nc5ccccc45)N=C3S[C@@H]2C1,C39946444_decoy,ITAL,Decoy,0,-9.39975,-7.81,-2.8,-7.184219512636382
C[C@@H]1CCC2=C3C(=O)N=C([C@H](C)SC4=NC(=O)C5=C6CCCC[C@@H]6SC5=N4)N=C3S[C@@H]2C1,C64050588_decoy,ITAL,Decoy,0,-7.9825,-6.96,-1.62,-5.486761219455095
Cc1ccc(C)c(-n2c(SCC(=O)c3c(N)n(C)c(=O)n(C)c3=O)nnc2-c2cccc(Cl)c2)c1,C03450734_decoy,ITAL,Decoy,0,-9.42859,-9.88,-2.42,-11.754319857176776
O=C(Nc1c2c(nn1-c1ccc([N+](=O)[O-])cc1)CS(=O)(=O)C2)c1cc(Br)ccc1Cl,C03009169_decoy,ITAL,Decoy,0,-9.66571,-5.39,-2.6,-5.9272313199786
O=C1c2ccc([N+](=O)[O-])cc2C(=O)N1C12CC3CC(C1)CC(N1C(=O)c4ccc([N+](=O)[O-])cc4C1=O)(C3)C2,C08386295_decoy,ITAL,Decoy,0,-7.70358,-8.86,-3.35,-7.485810927950136
Cc1ccc(-c2oc3cc(C)c(C)cc3c(=O)c2OC(=O)CN2C(=O)c3ccc([N+](=O)[O-])cc3C2=O)cc1,C08950675_decoy,ITAL,Decoy,0,-7.62388,-6.5,-2.52,-7.337357769308399
COc1ccc([C@@H]2C(C#N)=C(N)Oc3c2c(C)nn3-c2ccc(C)cc2)cc1Cn1nc(C)c([N+](=O)[O-])c1C,C00994598_decoy,ITAL,Decoy,0,-7.70929,-7.79,-3.03,-9.281954705732382
Cc1cccc(C)c1OCc1nc2c3c(ncn2n1)Oc1c(c(C)nn1-c1ccccc1)[C@H]3c1cccnc1,C09446607_decoy,ITAL,Decoy,0,-7.65063,-5.7,-2.1,-5.220118757913461
COc1ccccc1[C@@H]1c2c(C)nn(-c3ccc(Cl)cc3)c2Oc2ncn3nc(-c4ccco4)nc3c21,C09453482_decoy,ITAL,Decoy,0,-8.7044,-5.64,-2.09,-5.954239486112951
Cc1nn(-c2ccccc2)c2c1[C@H](c1ccco1)c1c(ncn3nc(COc4ccc(Cl)cc4)nc13)O2,C09486973_decoy,ITAL,Decoy,0,-8.04364,-5.75,-3.02,-5.777159828152368
COc1ccc(-c2nc3c4c(ncn3n2)OC2=C(C(=O)CC(C)(C)C2)[C@H]4c2ccc(OC)c(OC)c2)cc1,C02424147_decoy,ITAL,Decoy,0,-7.78218,-5.18,-1.47,-4.718973269960453
COc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cc(=O)n5ccccc5n3)c2=O)CCCC4)c(OC)c1,C09615318_decoy,ITAL,Decoy,0,-8.53612,-7.14,-1.53,-7.845040701583534
Cc1cc2c(c(=O)o1)[C@@]1(C(=O)N3c4c(cc(OC(=O)c5ccccc5)cc41)[C@H](C)CC3(C)C)C(C#N)=C(N)O2,C01460187_decoy,ITAL,Decoy,0,-7.29052,-5.78,-1.95,-4.778925370520669
COc1ccc(-n2c(C)cn3c4c(=O)n(Cc5c(Cl)cccc5Cl)c(=O)n(C)c4nc23)c(OC)c1,C10103207_decoy,ITAL,Decoy,0,-7.75979,-8.27,-2.39,-7.3734603721262575
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C2CCCCC2)c1=NC(=O)c1ccc([N+](=O)[O-])cc1,C11691156_decoy,ITAL,Decoy,0,-7.91776,-6.19,-4.85,-5.514527642001434
COc1ccc(N2C3=C(C(=O)CCC3)[C@H](c3ccc4c(c3)OCO4)C(C#N)=C2n2cccc2)c([N+](=O)[O-])c1,C12420095_decoy,ITAL,Decoy,0,-7.37454,-5.26,-2.55,-5.175160944163823
CC1(C)CC(=O)C2=C(C1)Nc1cc(C(=O)c3ccccc3)ccc1N[C@@H]2c1cc2c(cc1[N+](=O)[O-])OCO2,C08986514_decoy,ITAL,Decoy,0,-7.40689,-6.98,-1.59,-6.827222146198664
COc1ccc([C@H]2OC(=O)C(=C3OC(=O)c4cccc([N+](=O)[O-])c43)c3cc(OC)c(OC)cc32)cc1OC,C15772388_decoy,ITAL,Decoy,0,-7.19194,-4.75,-2.34,-5.215754123448373
CC(=O)Oc1c(C2=NN(C(C)=O)[C@H](c3cc(C)nc4ccccc34)O2)cc(Br)cc1[N+](=O)[O-],C15785722_decoy,ITAL,Decoy,0,-8.53796,-8.5,-3.34,-9.537345937476111
O=c1c2ccccc2nnn1CSc1nc2ccccc2nc1SCn1nnc2ccccc2c1=O,C03176120_decoy,ITAL,Decoy,0,-8.89612,-8.76,-1.99,-9.584378305480744
Cc1ccc2cc([C@H](c3nnnn3C3CCCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1,C19941473_decoy,ITAL,Decoy,0,-9.19975,-9.59,-1.98,-10.950607982929958
Cc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2cc1C,C20079862_decoy,ITAL,Decoy,0,-8.38548,-7.55,-1.94,-6.928691432392131
Cc1ccc2cc([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)c(=O)[nH]c2c1C,C20082777_decoy,ITAL,Decoy,0,-7.57873,-7.79,-2.27,-6.773096939496441
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4ccc([N+](=O)[O-])cc4)CC3)cc2c1,C20083076_decoy,ITAL,Decoy,0,-8.61996,-9.82,-1.99,-9.496681183060192
Nc1cn2nc(N3CCN(C(c4ccccc4)c4ccccc4)CC3)nc2nc1S(=O)(=O)c1ccccc1,C20386588_decoy,ITAL,Decoy,0,-8.50633,-9.36,-3.36,-7.606691274887106
COc1cc([C@@H]2CC(=O)C3=C(C2)Nc2ccccc2N[C@H]3c2ccc(C)c([N+](=O)[O-])c2)cc(OC)c1OC,C21257201_decoy,ITAL,Decoy,0,-5.94568,-5.01,,99.0
COc1ccc(OC)c([C@H]2C3=C(Nc4nnnn42)c2cc(C)ccc2O[C@H]3c2ccc(NC(C)=O)cc2)c1,C28059335_decoy,ITAL,Decoy,0,-6.80875,-4.92,-2.63,-4.829326562467148
CCOC(=O)c1cc2c(=O)n3ccccc3nc2n(C[C@H]2CCCO2)/c1=N\C(=O)c1cccc2ccccc12,C11691274_decoy,ITAL,Decoy,0,-7.7611,-8.13,-1.47,-8.342714381869474
Cc1cccc(-n2c([C@@H](C)N(C)S(=O)(=O)c3ccc(Cl)c([N+](=O)[O-])c3)nc3ccccc3c2=O)c1,C35065142_decoy,ITAL,Decoy,0,-7.75906,-5.19,-2.34,-4.987685341996005
CC(C)c1nc(N2CCN(S(=O)(=O)c3ccc([N+](=O)[O-])cc3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3,C35867904_decoy,ITAL,Decoy,0,-7.25227,-7.46,-3.4,-4.842515575172355
COc1cc(NC(=O)N2CCN(C3=Nc4ccc(C)cc4Oc4ccc(OC)cc43)C[C@H]2C)cc(OC)c1,C35938330_decoy,ITAL,Decoy,0,-9.08324,-8.78,-1.03,-11.730109948043657
Cc1nn(-c2ccccc2)c2c1[C@@H](c1cc([N+](=O)[O-])ccc1OCc1ccccc1Cl)[C@H](C#N)[C@@H](N)O2,C39793571_decoy,ITAL,Decoy,0,-8.88567,-9.7,-1.24,-10.132504768705257
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(=O)N[C@@H]2CCS(=O)(=O)C2)C1,C39836487_decoy,ITAL,Decoy,0,-7.59146,-7.21,-4.19,-5.488952678183145
CC(C)(C)[C@@H]1CCc2c(sc(NC(=O)c3ccccc3[N+](=O)[O-])c2C(=O)N[C@H]2CCS(=O)(=O)C2)C1,C39836489_decoy,ITAL,Decoy,0,-7.43847,-4.72,-2.83,-4.260654420556461
COc1cc([C@@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc(OC)c1OC,C40008996_decoy,ITAL,Decoy,0,-9.13356,-4.93,-1.66,-5.485192297331252
COc1cc([C@@H]2c3c(oc4c(C)cc(C)cc4c3=O)C(=O)N2c2nnc(C(C)C)s2)cc(OC)c1OC,C40041197_decoy,ITAL,Decoy,0,-9.7261,-4.33,-2.68,-5.800512228161313
CCOC(=O)c1sc(N2C(=O)c3oc4c(C)c(C)ccc4c(=O)c3[C@@H]2c2ccc([N+](=O)[O-])cc2)nc1C,C40063369_decoy,ITAL,Decoy,0,-8.55884,-5.47,-1.83,-6.051624059380552
COC(=O)c1ccc([C@@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2nc(C)c(C(=O)OC)s2)cc1,C40065084_decoy,ITAL,Decoy,0,-8.90721,-4.55,-2.33,-5.919288237579035
CC(=O)c1sc(N2C(=O)c3oc4c(C)c(C)ccc4c(=O)c3[C@H]2c2ccc(OCC(N)=O)cc2)nc1C,C40066164_decoy,ITAL,Decoy,0,-9.75705,-5.11,-1.19,-5.695647730781652
Cc1c(C(=O)Nc2cc(Cl)ccc2Cl)oc2c1/C(=N/NC(=O)Cc1ccc([N+](=O)[O-])cc1)CCC2,C40814603_decoy,ITAL,Decoy,0,-9.34754,-7.8,-3.97,-7.109425249914001
O=C1[C@@H](Cl)[C@@H](c2ccccc2)N1n1c(CSc2nnc(-c3ccncc3)o2)nc2ccccc2c1=O,C40866744_decoy,ITAL,Decoy,0,-8.18459,-8.51,-2.04,-7.848550144277802
Cc1ccc(NS(=O)(=O)c2ccc(NC(=O)[C@H]3CN(S(C)(=O)=O)c4ccccc4O3)cc2)cc1C,C44849731_decoy,ITAL,Decoy,0,-8.0113,-6.76,-3.17,-6.773998669257519
Cn1ncc(/N=[N+](\[O-])c2cnn(C)c2C(=O)Nc2ccc(Cl)cc2)c1C(=O)Nc1ccc(Cl)cc1,C13598756_decoy,ITAL,Decoy,0,-7.48142,-8.16,-3.74,-9.756687745136492
Cc1c(N2C(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4)o3)SC2=S)c(=O)n(-c2ccccc2)n1C,C01744050_decoy,ITAL,Decoy,0,-8.23291,-8.82,-3.73,-6.612487087008911
COc1cc([C@H]2C(C(=O)Nc3cccc(C)c3)=C(C)Nc3nnnn32)cc(Br)c1OC(C)C,C54593548_decoy,ITAL,Decoy,0,-7.35967,-7.55,-2.48,-7.404428373789919
CCOc1cc([C@@H]2C(C(=O)Nc3cccc(C)c3C)=C(C)Nc3nnnn32)cc(Br)c1OC,C54613677_decoy,ITAL,Decoy,0,-7.97735,-8.42,-1.31,-8.76191773692417
COc1cccc(-c2cc(C(=O)Nc3ccc(N(C)C)cc3)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)c1,C57311355_decoy,ITAL,Decoy,0,-8.46892,-6.62,,99.0
CCOc1cc(/C=C2\S/C(=N\c3ccc(C)cc3)N(C)C2=O)ccc1Oc1c(N)n(C)c(=O)n(C)c1=O,C59599052_decoy,ITAL,Decoy,0,-8.47248,-8.35,-3.83,-7.10637840892197
CCOC(=O)C1=C(C)N=c2s/c(=C\c3cc4c(cc3[N+](=O)[O-])OCO4)c(=O)n2[C@@H]1c1ccc(F)cc1,C59600253_decoy,ITAL,Decoy,0,-8.12941,-7.66,-2.74,-8.449954312417939
CC1=NN=C2Oc3ncn4nc(-c5cccc(COc6ccc(C)cc6C)c5)nc4c3[C@@H](c3cnn(C)c3)[C@H]12,C22843225_decoy1,ITAL,Decoy,0,-8.56539,-7.15,,-6.376254805590966
COc1ccc(N2C(=O)C3=CN=NC3=N[C@H]2SCc2cc(=O)n3cc(Br)ccc3n2)cc1,C63710201_decoy,ITAL,Decoy,0,-8.65838,-6.05,-1.2,-6.223822501552976
COc1ccc(N2C(=O)C3=CN=NC3=N[C@@H]2SCc2cc(=O)n3cc(Br)ccc3n2)cc1,C63710202_decoy,ITAL,Decoy,0,-8.17946,-6.96,-2.08,-7.065745633612429
Cc1ccc(-c2c(C#N)c(-c3ccc([N+](=O)[O-])cc3)c(C#N)c(=O)n2NS(=O)(=O)c2ccccc2)cc1,C01650974_decoy,ITAL,Decoy,0,-7.86731,-5.03,-2.84,-5.151404886638492
Cc1ccc(NC(=O)c2cccc(S(=O)(=O)N(C)c3c(C)n(C)n(-c4ccccc4)c3=O)c2)c(C)c1,C03215740_decoy,ITAL,Decoy,0,-7.25963,-8.52,-3.47,-6.908739711372906
COc1ccc(NC(=O)CSc2nc3nc4c(cc3c(=O)n2-c2ccc(C)cc2)COC(C)(C)C4)cc1,C01255275_decoy,ITAL,Decoy,0,-8.69074,-6.18,-1.26,-6.393110469943584
CCc1nnc2sc(-c3ccc(OC)c(NC(=O)c4cc(Br)cc(C)c4OC)c3)nn12,C10010248_decoy,ITAL,Decoy,0,-9.00216,-8.54,-2.5,-10.363539833305982
O=C(Nc1ccc(-c2cn3c(n2)SCC3)cc1)c1ccccc1C(=O)c1ccc(Cl)c([N+](=O)[O-])c1,C10251459_decoy,ITAL,Decoy,0,-8.45747,-10.34,-1.27,-11.955693486720406
O=C(OCc1nc2sc3c(c2c(=O)[nH]1)CCC3)c1ccc2c(c1)C(=O)N(c1ccccc1Cl)C2=O,C13109781_decoy,ITAL,Decoy,0,-9.92434,-7.3,-3.98,-6.496037234035036
Cc1cc(C)cc(N2C(=O)NC(=O)/C(=C/c3ccc(-c4ccc([N+](=O)[O-])cc4Br)o3)C2=O)c1,C09310902_decoy,ITAL,Decoy,0,-7.05026,-9.45,-3.51,-6.620157149957084
C/C(=N\NC(=O)c1cc(-c2cccc([N+](=O)[O-])c2)nc2c1c(C)nn2C)c1cc(Br)cs1,C13961057_decoy,ITAL,Decoy,0,-7.59558,-6.05,-3.82,-5.645452790823102
Cc1cc(C)c2[nH]c(=O)c([C@@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccccc4)CC3)cc2c1,C19940300_decoy,ITAL,Decoy,0,-8.4825,-11.44,-2.69,-9.497807932410986
COc1ccc(N2CCN([C@H](c3cc4cc(C)c(C)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)cc1,C19940776_decoy,ITAL,Decoy,0,-8.28288,-6.18,-1.72,-5.617880470345691
Cc1ccc(C)c2[nH]c(=O)c([C@@H](c3nnnn3C3CCCC3)N3CCN(c4ccc(F)cc4)CC3)cc12,C19940851_decoy,ITAL,Decoy,0,-10.6263,-10.74,-1.79,-15.750981453484934
Cc1cc(C)c2[nH]c(=O)c([C@H](c3nnnn3C(C)(C)C)N3CCN(c4cc(Cl)ccc4C)CC3)cc2c1,C19973145_decoy,ITAL,Decoy,0,-8.88699,-9.42,-1.57,-8.47140945848287
COc1ccc2[nH]c(=O)c([C@@H](c3nnnn3C(C)(C)C)N3CCN(c4cc(C)ccc4C)CC3)cc2c1,C19973258_decoy,ITAL,Decoy,0,-7.81905,-7.3,-2.38,-7.691246441673257
Cc1cc(C)c2cc([C@H](c3nnnn3C[C@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1,C20079665_decoy,ITAL,Decoy,0,-9.60121,-9.7,-3.22,-8.82933341584196
Cc1cc(C)c2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1,C20079684_decoy,ITAL,Decoy,0,-8.1052,-5.93,-3.2,-5.336297152335525
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2coc3ccc(C)cc3c2=O)C2=C(C[C@@H](c3ccco3)CC2=O)N1,C16293945_decoy,ITAL,Decoy,0,-8.99957,-5.45,-2.4,-5.552375821946908
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@H](c2coc3ccc(C)cc3c2=O)C2=C(C[C@@H](c3ccco3)CC2=O)N1,C16293948_decoy,ITAL,Decoy,0,-8.07323,-5.44,-2.45,-5.366092602229045
COc1ccc(N2C[C@@H](c3nnc(NC(=O)N4c5ccccc5Sc5ccccc54)s3)CC2=O)cc1,C20583681_decoy,ITAL,Decoy,0,-6.72721,-5.68,-1.75,-5.295037933132179
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccc(N2C[C@H]3C[C@@H](C2)c2cccc(=O)n2C3)c([N+](=O)[O-])c1,C20663203_decoy,ITAL,Decoy,0,-6.93844,-8.44,-4.12,-6.097761549510013
Cc1ccc2c(=O)c(-c3nc(-c4ccc(Cl)cc4)no3)cn(CC(=O)Nc3ccc(C)c(F)c3)c2n1,C21654937_decoy,ITAL,Decoy,0,-8.9927,-8.88,-2.34,-7.453678296317551
COc1ccc2nc(-n3nc(C)cc3NC(=O)[C@@H]3CCCN3S(=O)(=O)c3ccc(C)cc3)sc2c1,C21684972_decoy,ITAL,Decoy,0,-8.39934,-8.49,-2.43,-8.00496421931687
Cc1cc(NC(=O)[C@H]2CCCCN2S(=O)(=O)c2cccs2)n(-c2nc3ccc(F)cc3s2)n1,C21685083_decoy,ITAL,Decoy,0,-10.9183,-8.17,-2.25,-9.18475464330266
O=[N+]([O-])c1ccc([C@@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(c3ccccc3F)CC2)cc1,C22852316_decoy,ITAL,Decoy,0,-8.55758,-7.37,-3.66,-6.959933717470631
COc1cccc([C@H](c2sc3nc(-c4ccco4)nn3c2O)N2CCN(c3ccc(F)cc3)CC2)c1,C22852482_decoy,ITAL,Decoy,0,-9.09558,-7.18,-4.41,-7.001704714388516
O=C1N/C(=N\S(=O)(=O)c2ccc([N+](=O)[O-])cc2)S/C1=C\c1ccc(I)o1,C27904215_decoy,ITAL,Decoy,0,-8.16303,-8.01,,99.0
COc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2ccccc2)n2nnnc2N3)c(OC)c1OC,C28053748_decoy,ITAL,Decoy,0,-6.77995,-5.03,-2.57,-4.988231842269276
COc1ccc([C@H]2C3=C(Nc4nnnn42)c2cc(Cl)ccc2O[C@@H]3c2cc(OC)ccc2OC)cc1,C28055864_decoy,ITAL,Decoy,0,-8.25458,-5.11,-0.44,-6.050528692591036
COc1cccc([C@H]2C3=C(Nc4nnnn42)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)cc2OC)c1,C28057082_decoy,ITAL,Decoy,0,-8.56139,-4.69,-3.14,-5.404289938930022
COC(=O)c1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccc(OC)c2)n2nnnc2N3)cc1,C28057141_decoy,ITAL,Decoy,0,-8.4931,-4.63,-1.73,-5.746082839799072
COc1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@@H](c2ccccc2F)n2nnnc2N3)c(OC)c1OC,C28057603_decoy,ITAL,Decoy,0,-6.09488,-4.35,-1.64,-5.042267561302812
COc1ccc(OC)c([C@@H]2C3=C(Nc4nnnn42)c2cc(C)ccc2O[C@H]3c2ccc(OC)c(OC)c2)c1,C28059255_decoy,ITAL,Decoy,0,-7.20296,-5.08,-3.23,-4.970371329884467
COc1ccc(OC)c([C@H]2C3=C(Nc4nnnn42)c2cc(C)ccc2O[C@@H]3c2cc(OC)ccc2OC)c1,C28059273_decoy,ITAL,Decoy,0,-7.73004,-5.22,-2.55,-5.488023347639004
COc1ccc([C@@H]2C3=C(Nc4nnnn42)c2cc(C)ccc2O[C@@H]3c2cccc(OC)c2OC)cc1OC,C28059709_decoy,ITAL,Decoy,0,-7.54285,-4.61,,99.0
COC(=O)c1ccc([C@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)c(OC)c2)n2nnnc2N3)cc1,C28059778_decoy,ITAL,Decoy,0,-7.06165,-4.68,-2.17,-4.863583148608409
O=C(Cn1c(=O)n2nc(-c3ccoc3)nc2c2c(-c3ccc(Cl)cc3)csc21)Nc1ccccc1,C28443991_decoy,ITAL,Decoy,0,-8.20352,-5.96,-1.69,-5.908864578497816
O=C(/C=C1\SC(=O)NC1=O)COc1ccc([C@@H]2Oc3ccccc3[C@@H]3CC(c4ccccc4)=NN32)cc1,C28629149_decoy,ITAL,Decoy,0,-8.22594,-5.72,-3.06,-5.342967790942064
CCOc1ccccc1NC(=O)N1CCN(Cc2cc(=O)n3nc(-c4ccccc4C)sc3n2)CC1,C35447039_decoy,ITAL,Decoy,0,-7.96276,-7.99,-3.36,-6.5280480936708365
COC(=O)c1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc1,C35509748_decoy,ITAL,Decoy,0,-9.05099,-5.97,-1.72,-7.113313794211309
Cc1c(C(c2cc([N+](=O)[O-])ccc2O)c2c(C)n(C)n(-c3ccccc3)c2=O)c(=O)n(-c2ccccc2)n1C,C36026163_decoy,ITAL,Decoy,0,-7.89111,-5.16,-4.06,-5.204806437315529
Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccccc3)c(=O)c3c(C)c(C(=O)N(C)C)sc32)c(C)c1,C02957177_decoy,ITAL,Decoy,0,-7.49681,-9.57,-3.16,-6.232036263326732
COc1ccc([C@H]2C3=C(N=C4N=CNN42)c2cc(Cl)ccc2O[C@H]3c2ccc(OC)c(OC)c2)cc1,C00651434_decoy,ITAL,Decoy,0,-9.61684,-5.82,-0.7,-7.409921166163275
COc1cccc(NC(=O)/C(C#N)=C\c2c(Oc3ccc(Cl)cc3Cl)nc3ccccn3c2=O)c1,C39858845_decoy,ITAL,Decoy,0,-8.39101,-10.19,,99.0
C=CCOC(=O)c1sc(N2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@@H]2c2ccc(O)cc2)nc1C,C40045488_decoy,ITAL,Decoy,0,-9.08404,-4.72,-0.95,-5.911391740904653
CCCc1nnc(N2C(=O)c3oc4cc(C)c(Cl)cc4c(=O)c3[C@H]2c2ccc(O)c(OCC)c2)s1,C40055994_decoy,ITAL,Decoy,0,-9.97875,-9.36,-1.71,-10.219855524796149
CC1=NN(c2ccc(C)cc2)C(=O)[C@H]1[C@@H](c1ccccc1[N+](=O)[O-])c1c(C)[nH]n(-c2ccc(C)cc2)c1=O,C01192407_decoy,ITAL,Decoy,0,-7.00669,-7.39,-2.4,-7.185935833190639
[H]/N=C1C(=C/c2ccccc2OS(=O)(=O)c2ccc(C)cc2)/C(=O)N=C2SC(c3ccc(C)cc3)=NN2/1,C08493459_decoy,ITAL,Decoy,0,-8.38335,-9.56,-3.82,-8.021234547012714
COc1ccc(-c2cc(C(=O)Nc3cc(C)cc(C)c3)c3c(C)nn([C@@H]4CCS(=O)(=O)C4)c3n2)cc1,C57310140_decoy,ITAL,Decoy,0,-8.6697,-5.52,-1.91,-6.774031165298237
[H]/N=C1C(=C/c2ccc(OC(=O)c3ccc(F)cc3)c(Cl)c2)/C(=O)N=C2SC(c3cccnc3)=NN2/1,C09210690_decoy,ITAL,Decoy,0,-7.71622,-7.6,-2.55,-5.487733102516229
[H]/N=C1C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)\C(=O)N=C2SC(C34CC5CC(CC(C5)C3)C4)=NN2\1,C20238975_decoy,ITAL,Decoy,0,-8.81333,-7.58,-2.65,-6.954369508442211
COc1ccc(N2C(=O)[C@H]3Sc4c(sc(=O)n4CC(=O)Nc4ccccc4)C(C)(C)[C@H]3C2=O)cc1,C15087737_decoy,ITAL,Decoy,0,-9.36549,-5.58,-2.69,-5.686101153859415
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@H](OC(=O)C(F)(F)F)C[C@@]2(C)[C@@H]1CC[C@@]21OCO[C@@]12COCO2,C08740193_decoy,ITAL,Decoy,0,-8.09679,-4.92,-1.76,-5.073728341822863
CC(=O)c1cccc(N2C(=O)/C(=C\c3ccc(-c4ccc([N+](=O)[O-])cc4Cl)o3)SC2=S)c1,C08821529_decoy,ITAL,Decoy,0,-8.38848,-8.49,-2.93,-6.870130573263896
COc1ccc(OC)c([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nccs2)c1,C02405947_decoy,ITAL,Decoy,0,-8.99261,-4.69,-2.01,-6.031944797072926
Cc1c(C(=O)COc2ccc3c(-c4cc5ccccc5oc4=O)cc(=O)oc3c2)c2ccccc2n1C,C02122015_decoy,ITAL,Decoy,0,-7.36069,-8.94,-3.47,-6.34494530146347
O=C1c2oc3ccc(Br)cc3c(=O)c2[C@@H](c2ccc([N+](=O)[O-])cc2)N1C[C@H]1CCCO1,C09011941_decoy,ITAL,Decoy,0,-8.69854,-4.65,-1.65,-4.782437625357609
Cc1ccc(-n2c(=O)c3c4c(sc3n3c(SCC(=O)c5ccccc5)nnc23)COC(C)(C)C4)cc1,C02272579_decoy,ITAL,Decoy,0,-8.26884,-6.43,-1.26,-5.761639900373461
Cc1ccc(S(=O)(=O)c2nnn3c2nc(N2CCN(c4ccccc4)CC2)c2ccccc23)cc1,C09152452_decoy,ITAL,Decoy,0,-8.28966,-9.35,-1.8,-10.103123632964635
COc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)cc1OC,C02439206_decoy,ITAL,Decoy,0,-9.35573,-5.04,-1.81,-5.8348145211882585
COc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1OC,C02338977_decoy,ITAL,Decoy,0,-8.39636,-6.61,-3.17,-6.160603403678542
C[C@H](Sc1nnc([C@H]2COc3ccccc3O2)n1-c1ccccc1)C(=O)N1CCc2ccccc21,C09220669_decoy,ITAL,Decoy,0,-7.63542,-7.05,-2.1,-7.618729419084395
O=c1c2c3c(sc2n(Cc2cc(=O)n4ccccc4n2)c(=O)n1-c1ccc(Cl)cc1)CCCC3,C09615699_decoy,ITAL,Decoy,0,-8.14316,-7.53,-2.08,-6.134935920799347
Cn1c(SCc2cc(=O)n3nc(-c4ccccc4)sc3n2)nc2sc3c(c2c1=O)CCCC3,C09858694_decoy,ITAL,Decoy,0,-9.83264,-8.62,-4.49,-7.766829819041441
Cc1cn2c3c(=O)n(C)c(=O)n(C)c3nc2n1-c1ccccc1OCc1ccc(Cl)cc1Cl,C10102926_decoy,ITAL,Decoy,0,-8.14007,-7.64,-2.96,-7.959704262112096
COc1cccc(-n2c(SCc3cn4c(C)cc(C)nc4n3)nc3sc4c(c3c2=O)CCC4)c1,C09373592_decoy,ITAL,Decoy,0,-8.91207,-8.61,-1.84,-8.046689951053287
CC(=O)[C@H]1[C@H](c2ccc([N+](=O)[O-])cc2)C2(C(=O)c3ccccc3C2=O)[C@@H]2C=Cc3cc(F)ccc3N21,C09308894_decoy,ITAL,Decoy,0,-6.93149,-5.5,-0.76,-4.754759651658162
O=C(/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21)c1ccccc1[N+](=O)[O-],C13306944_decoy,ITAL,Decoy,0,-7.67457,-4.7,-2.36,-4.510248942140387
Cc1nn([C@@H](C)c2nc3c4sc5nc(C(F)F)cc(-c6ccccc6)c5c4ncn3n2)cc1Cl,C13643931_decoy,ITAL,Decoy,0,-8.57178,-9.68,-2.1,-9.57647871009269
Cc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C(\C#N)S(=O)(=O)c2ccc(Cl)cc2)cc1,C13768300_decoy,ITAL,Decoy,0,-8.26641,-9.26,-3.65,-8.149255645914112
COc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)c1OC,C02422503_decoy,ITAL,Decoy,0,-7.2169,-6.57,-1.54,-5.6224331610248655
Cc1ccc(-c2nn(C)c(=O)c3c2CCCC3)cc1S(=O)(=O)N1CCN(C)C[C@@H]1c1ccccc1,C20096098_decoy,ITAL,Decoy,0,-8.39956,-5.32,-1.49,-5.464972911904265
CCCn1c(=O)c2ccccc2n2c(=S)n(CN3CCCC[C@H]3c3nc4ccccc4s3)nc12,C24280512_decoy,ITAL,Decoy,0,-8.80223,-8.35,-1.45,-10.171792170292749
CN(c1ccc(C2=Nn3c(nc4scc(-c5ccccc5)c4c3=O)SC2)cc1)S(C)(=O)=O,C25175366_decoy,ITAL,Decoy,0,-9.2083,-4.61,-1.38,-5.148633689491711
COC(=O)C1=C(C)N=C2SCCC(=O)N2[C@H]1c1cn(-c2ccccc2)nc1-c1ccc(Cl)cc1,C26964468_decoy,ITAL,Decoy,0,-8.74084,-4.3,-3.15,-4.962983894317012
O=C1/C(=c2\sc3nc(=O)c(Cc4ccccc4)nn3c2=O)c2ccccc2N1Cc1ccccc1F,C34107816_decoy,ITAL,Decoy,0,-8.13324,-6.52,-1.77,-5.108830202121101
O=C1/C(=c2\sc3nc(=O)c(-c4ccccc4)nn3c2=O)c2ccccc2N1Cc1ccc(F)cc1,C34107826_decoy,ITAL,Decoy,0,-9.13694,-6.56,-2.38,-5.681596215085182
Cc1cc(C)n(-c2nc(N(N3CCCCC3)N3CCCCC3)c3c4c(sc3n2)COC(C)(C)C4)n1,C34786342_decoy,ITAL,Decoy,0,-9.23604,-4.82,-1.92,-5.806186424950915
COc1ccc2c(c1)C(N1CCN(S(=O)(=O)c3ccc(C)c(F)c3)[C@H](C)C1)=Nc1ccccc1O2,C34814676_decoy,ITAL,Decoy,0,-9.70361,-9.82,-3.64,-7.788271451219295
O=c1/c(=C/c2ccc(-c3cc(Cl)ccc3Cl)o2)sc2nc([C@H]3COc4ccccc4O3)nn12,C34954301_decoy,ITAL,Decoy,0,-9.31014,-8.91,-2.44,-9.089845444836094
Cc1cc(C)c(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(-c4ccncc4)nn3c2=O)c(C)c1,C34990032_decoy,ITAL,Decoy,0,-8.0518,-9.63,-2.99,-8.43690716379253
CCOc1cccc([C@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1,C35514078_decoy,ITAL,Decoy,0,-9.34796,-6.23,-3.28,-6.606660537716427
CCOc1ccc([C@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nccs2)cc1OC,C38713864_decoy,ITAL,Decoy,0,-8.22783,-4.26,-2.11,-4.553521093855107
COc1cc2c(c(Cc3ccccc3)c1)N(C)c1ncnc(Cl)c1/N=C(/S(=O)(=O)C(C)C)C2,C39479561_decoy,ITAL,Decoy,0,-8.70135,-6.75,-4.43,-6.042290268272724
CSc1cc2nc3n(c(=O)c2cc1F)CCc1c-3n(S(=O)(=O)Oc2ccccc2)c2ccccc12,C39542053_decoy,ITAL,Decoy,0,-10.1098,-5.68,-2.73,-5.9329201381927215
CC(=O)O[C@@H]1C[C@H]2C(C)(C)C=CC(=O)[C@]2(C)[C@H]2CC[C@@]3(C)[C@H](c4ccoc4)OC(=O)[C@@H]4O[C@@]43[C@@]21C,C03978208_decoy,ITAL,Decoy,0,-7.34848,-4.77,,99.0
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(C[C@H]3CCCO3)C2=O)c(C)c1,C39835851_decoy,ITAL,Decoy,0,-9.91399,-8.89,-3.56,-9.959111395075444
CCOc1ccc([C@@H]2c3c(oc4ccc(Cl)cc4c3=O)C(=O)N2c2ccc(Cl)cn2)cc1OC,C39838407_decoy,ITAL,Decoy,0,-9.34752,-4.38,-1.73,-5.766589806407823
COc1cc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(C)c(C)c2)cc(OC)c1OC,C39879322_decoy,ITAL,Decoy,0,-7.87089,-4.87,-5.11,-5.068721389001001
Cc1cc(C)c2nc(N3C(=O)c4oc5ccc(F)cc5c(=O)c4[C@@]34C(=O)N(C)c3ccccc34)sc2c1,C39890083_decoy,ITAL,Decoy,0,-9.38914,-5.57,-1.98,-3.9997142235399017
CCOC(=O)c1sc(N2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@@H]2c2ccccc2F)nc1C,C40045682_decoy,ITAL,Decoy,0,-8.50111,-4.75,-2.88,-5.515932683800982
CCOC(=O)c1sc(N2C(=O)c3oc4c(C)c(C)ccc4c(=O)c3[C@H]2c2ccc(F)cc2)nc1C,C40063464_decoy,ITAL,Decoy,0,-7.8662,-4.94,-3.01,-5.051535966206664
CCOc1cccc([C@H]2c3c(oc4c(C)c(C)ccc4c3=O)C(=O)N2c2nc(C)c(C(C)=O)s2)c1,C40065515_decoy,ITAL,Decoy,0,-8.74326,-5.3,-1.19,-5.523162516822176
COC(=O)c1sc(N2C(=O)c3oc4c(C)c(C)ccc4c(=O)c3[C@@H]2c2ccc(SC)cc2)nc1C,C40066323_decoy,ITAL,Decoy,0,-8.89138,-4.41,-2.89,-5.295935714890816
COc1ccc([C@@H]2Oc3ccccc3C3=Nc4ncnn4[C@@H](c4ccc(Br)cc4)[C@@H]32)cc1OC,C50616787_decoy,ITAL,Decoy,0,-10.1699,-8.26,-1.7,-9.829898192995168
Cc1ccc(-n2nc3c(c2-n2cccc2)CN(C(=O)COc2cccc4c2OC(C)(C)C4)C3)c(C)c1,C56912617_decoy,ITAL,Decoy,0,-8.71039,-5.6,-2.11,-5.392617462143057
COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4ccc(F)cc4)[C@@H]32)cc1OC,C61899902_decoy,ITAL,Decoy,0,-7.79643,-5.69,-1.37,-5.511280380027431
Cc1c(OC(=O)c2ccncc2)ccc2c1O/C(=C\c1cc(Br)cc3c1OCOC3)C2=O,C41294020_decoy,ITAL,Decoy,0,-8.35503,-8.06,-2.07,-7.416596626455308
Cc1cc(OC(=O)[C@@H]2CCCO2)cc2c1C(=O)/C(=C/c1cc(Br)cc3c1OCOC3)O2,C41429329_decoy,ITAL,Decoy,0,-8.5558,-7.69,-1.7,-6.474364205017039
CCOc1ccc(N2C(=O)[C@H]3[C@@H](c4ccc(F)cc4)OC4(C(=O)c5ccccc5C4=O)[C@@H]3C2=O)cc1,C18181128_decoy,ITAL,Decoy,0,-7.55035,-6.21,-1.47,-5.856375943653887
COc1ccc([C@H]2OCC(C)(C)n3c(-c4ccc(C)cc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc1OC,C35373042_decoy,ITAL,Decoy,0,-8.02697,-5.49,-3.61,-5.045328320912224
Cc1ccc(N(C)S(=O)(=O)c2cc(-c3nc(C)c(C(=O)N4CCCCC4)s3)n(C)c2C)cc1,C65036010_decoy,ITAL,Decoy,0,-8.74682,-8.3,-3.88,-7.055356278213658
O=[N+]([O-])c1cccc(S(=O)(=O)N/N=C/c2cc(I)cc([N+](=O)[O-])c2[O-])c1,C05810034_decoy,ITAL,Decoy,0,-7.36069,-7.54,-2.79,-8.05639727117919
O=C([O-])c1ccc(S(=O)(=O)N(C(=O)c2cccnc2)c2cc3sc(=O)oc3c3ccccc23)cc1,C10128458_decoy,ITAL,Decoy,0,-8.91,-4.86,-1.73,-5.260172428952735
COc1ccc(-n2c(=O)c3ccccc3n3c(SCc4c(C(=O)[O-])oc5ccccc45)nnc23)cc1,C13256449_decoy,ITAL,Decoy,0,-6.83368,-6.62,-3.38,-5.805572329921837
Cc1ccc(-n2c(SCc3nc4sc(C(=O)[O-])c(C)c4c(=O)[nH]3)nc3ccccc3c2=O)cc1,C13412063_decoy,ITAL,Decoy,0,-8.55761,-7.14,-1.93,-6.791991152021558
Cc1ccccc1-n1c(SCc2nc3sc(C(=O)[O-])c(C)c3c(=O)[nH]2)nnc1-c1ccncc1,C13413879_decoy,ITAL,Decoy,0,-7.29647,-9.02,-4.35,-7.801433664916844
O=C([O-])c1ccc(Br)c(S(=O)(=O)Oc2ccc(-c3nnc4n3CCCCC4)cc2)c1,C13456020_decoy,ITAL,Decoy,0,-8.16915,-8.45,-1.98,-8.604506230758242
COc1cc(/C=C2\S/C(=N/c3ccc(C(=O)[O-])cc3)NC2=O)cc(Br)c1OCC#N,C15931997_decoy,ITAL,Decoy,0,-7.04977,-5.68,-1.26,-4.066109174551544
COc1ccc(-n2c(C)cc(/C=C3\C(=O)N(c4ccccc4F)C(=S)N=C3[O-])c2C)c([N+](=O)[O-])c1,C19825059_decoy,ITAL,Decoy,0,-7.42434,-8.42,-2.13,-6.810050926616722
COc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(OC)c(Cl)c4)C(=O)N=C3[O-])o2)c([N+](=O)[O-])c1,C20238598_decoy,ITAL,Decoy,0,-8.2904,-8.05,-2.18,-7.038023913257337
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccc(F)c(Cl)c4)o3)cc2)n1,C20497095_decoy,ITAL,Decoy,0,-7.27999,-7.31,-3.62,-5.668414880338868
Cc1cc(NC(=O)c2cc3ccccc3oc2=O)n(-c2nc([O-])c3cnn(-c4cccc(Cl)c4)c3n2)n1,C21112329_decoy,ITAL,Decoy,0,-6.11871,-8.0,-4.26,-5.988567556872013
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2)n(-c2nc([O-])c3cnn(-c4ccc(Cl)cc4)c3n2)n1,C21112557_decoy,ITAL,Decoy,0,-6.51447,-7.12,-3.49,-5.893595990960626
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2nc([O-])c3cnn(-c4ccc(Cl)cc4)c3n2)n1,C21112568_decoy,ITAL,Decoy,0,-6.6343,-5.34,-2.58,-5.420816644878574
Cc1cc(NC(=O)c2cccc(C(F)(F)F)c2)n(-c2nc([O-])c3cnn(-c4ccc(Cl)cc4)c3n2)n1,C21112583_decoy,ITAL,Decoy,0,-6.14786,-6.51,-1.99,-5.016879338498598
Cc1cc(NC(=O)Cc2ccc(-c3ccccc3)cc2)n(-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)n1,C21113165_decoy,ITAL,Decoy,0,-8.89282,-7.57,-2.36,-7.5886279876075555
Cc1cc(NC(=O)Cc2ccc([N+](=O)[O-])cc2)n(-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)n1,C21113529_decoy,ITAL,Decoy,0,-7.74911,-6.54,-3.85,-6.252103069591072
O=C1/C(=C/c2cn(Cc3cccc([N+](=O)[O-])c3)c3ccccc23)C([O-])=NC(=S)N1c1ccccc1F,C15231266_decoy,ITAL,Decoy,0,-8.99606,-9.51,-2.16,-10.738287209279918
C#CCOc1c(Br)cc(/C=C2\C(=O)N(c3cccc([N+](=O)[O-])c3)C(=O)N=C2[O-])cc1OC,C16195320_decoy,ITAL,Decoy,0,-7.98035,-4.19,-3.34,-4.783420193492234
Cc1cc(C)c2nc(N3C(=O)C([O-])=C(C(=O)c4c(C)nc5ccccn45)[C@@H]3c3cccc(O)c3)sc2c1,C33814088_decoy,ITAL,Decoy,0,-9.39879,-9.93,-3.46,-8.401454476767977
Cc1ccc(NC(=O)Cn2c(=O)n(Cc3ccc(C)cc3C)c(=O)c3c(C)c(C(=O)[O-])sc32)cc1,C34778959_decoy,ITAL,Decoy,0,-7.70876,-8.83,-2.69,-8.968006434964163
Cc1ccc(NC(=O)Cn2c(=O)c3c(C)c(C(=O)[O-])sc3n(Cc3cc(C)ccc3C)c2=O)cc1,C34779313_decoy,ITAL,Decoy,0,-6.85214,-7.64,-3.22,-6.579076130944831
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3CC4=C(C3=O)[C@H](c3ccccc3)NC(=O)N4C)cc2)n1,C35326611_decoy,ITAL,Decoy,0,-9.23815,-9.27,-2.82,-8.27925674014454
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3nc4c(C)cccn4c3C)[C@H]2c2ccc(F)cc2)nc1C,C35483764_decoy,ITAL,Decoy,0,-7.92326,-7.04,-3.0,-7.00818954028382
N#C/C(=C\c1ccccc1OCC(=O)Nc1nccs1)c1nc([O-])c2cc(Br)ccc2n1,C35519725_decoy,ITAL,Decoy,0,-9.32169,-5.04,-2.03,-5.929231781310569
Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4ncccn4)cc3)c3ccccc3n2)cc1,C01114745_decoy,ITAL,Decoy,0,-8.1322,-7.13,-1.8,-6.113212213751797
COc1cccc([C@@H](c2sc3nc(-c4ccco4)nn3c2[O-])N2CCN(c3ccccc3F)CC2)c1,C22852480_decoy,ITAL,Decoy,0,-8.67247,-5.51,,99.0
Cc1ccc([N+](=O)[O-])cc1S(=O)(=O)[N-]c1ccc2c(c1)N(S(=O)(=O)c1ccccc1)CCC2,C36646831_decoy,ITAL,Decoy,0,-8.75218,-8.7,-2.77,-8.171484239569613
Cc1cnc2n(c1=O)[C@@H](CC(=O)Nc1cc(C(C)(C)C)nn1-c1nc([O-])c3c(n1)CCCC3)CS2,C38741322_decoy,ITAL,Decoy,0,-7.81003,-6.8,-2.17,-6.346245108654602
CS[C@@H]1CC(=O)c2c(c3ncc(S(=O)(=O)Oc4ccccc4)cc3c(=O)n2-c2ccccc2[O-])N1,C39449891_decoy,ITAL,Decoy,0,-8.98132,-5.97,-3.33,-6.000191768702987
COc1cccc(C(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)c1OC,C17135727_decoy,ITAL,Decoy,0,-7.65117,-5.39,-3.02,-5.465452897682202
CC[C@@H]1CCc2sc(-c3nnc(SCc4nc5c(c(=O)[nH]4)[C@H](C(=O)[O-])[C@H](C)O5)n3C)cc2C1,C39690096_decoy,ITAL,Decoy,0,-7.42819,-7.51,-3.79,-7.696487023527668
CCCN1C(=O)[C@H]2C3=C(CCC3)S[C@@H]2N=C1SCc1nc2sc(C(=O)[O-])c(C)c2c(=O)[nH]1,C39691535_decoy,ITAL,Decoy,0,-9.77637,-7.52,-1.69,-10.997704642052163
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4c(C)cccn34)[C@@H]2c2ccc(F)cc2)nc1C,C40003342_decoy,ITAL,Decoy,0,-8.9318,-5.94,-2.61,-5.760900092324732
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4c(C)cccn34)[C@H]2c2ccc(O)cc2)nc1C,C40003343_decoy,ITAL,Decoy,0,-9.45567,-6.64,-1.88,-6.718686296178598
Cc1noc([N-]S(=O)(=O)c2ccc(NC(=O)c3oc4cc(Br)ccc4c3C)cc2)c1C,C40115553_decoy,ITAL,Decoy,0,-8.30583,-7.21,-3.17,-6.117509515019838
CCCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2[C@H]2CCS(=O)(=O)C2)c1,C40548288_decoy,ITAL,Decoy,0,-7.74896,-8.48,-2.34,-8.20009693103004
C=CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2[C@@H]2CCS(=O)(=O)C2)c1,C38702059_decoy,ITAL,Decoy,0,-9.46359,-4.7,-2.25,-4.639286870011537
Cc1ccccc1-n1c(SCc2cc(=O)[nH]c3sc(C(=O)[O-])c(C)c23)nnc1-c1cccnc1,C13412735_decoy,ITAL,Decoy,0,-8.47185,-9.31,-2.02,-8.442773121454609
C=CCn1c([S-])nnc1-c1s/c(=N/C(=O)c2ccc(N3CCC[C@@H](C)C3)c([N+](=O)[O-])c2)[nH]c1C,C22890501_decoy,ITAL,Decoy,0,-6.91095,-5.4,-2.81,-6.083128069939638
COc1ccc([C@H]2c3sc([S-])nc3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1O,C40475569_decoy1,ITAL,Decoy,0,-8.84325,-9.05,,-7.365213482318542
O=C1N=C([O-])/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C(=O)N1c1ccc(F)cc1,C59106171_decoy,ITAL,Decoy,0,-6.08137,-8.04,-3.92,-6.992021669308072
Cc1c(/C=C2/C(=O)N(c3ccc(F)cc3)C(=O)N=C2[O-])c2ccccc2n1Cc1ccc([N+](=O)[O-])cc1,C59135094_decoy,ITAL,Decoy,0,-7.76557,-10.01,-2.6,-8.276725647493539
Cc1cc(C)cc(/N=C(\[O-])C(C#N)=c2s/c(=C/c3cccc([N+](=O)[O-])c3)c(=O)n2-c2ccccc2)c1,C61947388_decoy,ITAL,Decoy,0,-7.59331,-9.48,,99.0
CC1(C)CC2=NC3=NC(SCc4ccccc4)=NC(=O)[C@@H]3[C@@H](c3cccc([N+](=O)[O-])c3)C2=C([O-])C1,C39730176_decoy,ITAL,Decoy,0,-7.67074,-8.44,-1.71,-7.587575629268598
O=C1N=C(SCc2ccccc2Cl)N=C2N=C3CCCC([O-])=C3[C@H](c3ccc([N+](=O)[O-])cc3)[C@@H]12,C39731565_decoy,ITAL,Decoy,0,-6.96514,-8.09,-2.95,-6.7615951317280505
CC1(C)CC2=NC3=NC(SCc4ccc([N+](=O)[O-])cc4)=NC(=O)[C@@H]3[C@@H](c3ccc(O)cc3)C2=C([O-])C1,C39749428_decoy,ITAL,Decoy,0,-7.3727,-8.16,-1.68,-6.527712874429794
CC1(C)CC2=NC3=NC(SCc4ccc([N+](=O)[O-])cc4)=NC(=O)[C@@H]3[C@H](c3cccc(O)c3)C2=C([O-])C1,C39749467_decoy,ITAL,Decoy,0,-8.79707,-5.14,-2.19,-6.159317315215176
COc1ccc(Oc2cc3c(cc2[N-]S(=O)(=O)c2ccc(C)c(Cl)c2)n(C)c(=O)n3C)cc1,C64591930_decoy,ITAL,Decoy,0,-8.09297,-8.1,-3.14,-7.906479217152708
O=S(=O)(/N=C1/CCCCCN1)c1ccc2sc([N-]S(=O)(=O)c3ccc4ccccc4c3)nc2c1,C13132644_decoy,ITAL,Decoy,0,-9.53974,-9.38,-3.58,-10.145928888199768
CCOc1cc([C@H]2c3sc([S-])nc3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)ccc1O,C40475536_decoy,ITAL,Decoy,0,-11.5613,-5.68,-2.75,-6.736737883082362
CN(c1ccc(C(=O)N/N=C/c2cc3c(cc2Br)OCO3)cc1)S(=O)(=O)c1ccccc1,C00840061_decoy,ITAL,Decoy,0,-8.15584,-7.22,-3.39,-8.159647490473287
Cn1c(=O)n(C)c2cc(S(=O)(=O)Nc3cc4c5c(oc4c4ccccc34)CC(C)(C)CC5=O)ccc21,C01320754_decoy,ITAL,Decoy,0,-6.61935,-6.82,-1.64,-4.124412598715642
COc1ccc(F)cc1S(=O)(=O)Nc1ccc2c(c1)oc1ccc(S(=O)(=O)N3CCCC3)cc12,C03627945_decoy,ITAL,Decoy,0,-8.98794,-8.83,-2.69,-9.347152191157075
O=C(Cn1cnc2c(nnn2-c2ccc(Br)cc2)c1=O)Nc1ccc(OC(F)(F)F)cc1,C08903177_decoy,ITAL,Decoy,0,-7.89746,-6.89,-4.6,-7.506525246225214
CCOc1ccc(Br)cc1/C=N/NC(=O)Cn1nnc2sc3c(c2c1=O)CC[C@H](C)C3,C09041985_decoy,ITAL,Decoy,0,-8.86688,-7.97,-4.57,-7.464645791662808
O=C1NC(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)/C1=C\c1ccc(N2CCOCC2)o1,C09311157_decoy,ITAL,Decoy,0,-8.78456,-8.03,-4.06,-7.514122084908965
CCOC(=O)c1nn(-c2cccc(F)c2)c(=O)c2c(NC(=O)c3cc4ccccc4oc3=O)scc12,C10247840_decoy,ITAL,Decoy,0,-8.39207,-5.93,-2.67,-5.686639123021206
O=C(Nc1ccc(Sc2ccc([N+](=O)[O-])cc2)cc1)c1ccc2c(c1)C(=O)N(c1nccs1)C2=O,C03144054_decoy,ITAL,Decoy,0,-7.6499,-5.97,-3.86,-4.910552571910118
Cc1sc(NC(=O)CSc2nnc(-c3cc4c(C)nn(-c5ccccc5)c4s3)n2C)c(C#N)c1C,C12491724_decoy,ITAL,Decoy,0,-9.04923,-5.13,-4.0,-5.914121179821121
COc1cc2c(cc1OC)[C@@H]1CC(=NNS(=O)(=O)c3ccc(C)cc3)C3=C(CC(C)(C)CC3=O)N1CC2,C12653273_decoy,ITAL,Decoy,0,-7.58619,-5.97,-1.94,-4.333485606117957
N#Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3,C12661165_decoy,ITAL,Decoy,0,-8.57374,-5.73,-3.39,-5.864238625525784
CC(=O)Oc1c(Br)cc(/C=C(\C#N)C(=O)Nc2ccc([N+](=O)[O-])cc2)cc1Br,C13388048_decoy,ITAL,Decoy,0,-6.52183,-6.91,-2.95,-5.637521326307454
Cc1cc(NC(=O)CSc2nc3nn(-c4ccccc4)c(=O)c-3c3n2CCCCC3)c([N+](=O)[O-])cc1C,C15978543_decoy,ITAL,Decoy,0,-7.52747,-8.76,-1.87,-7.961039494274181
Cc1ccc2cc([C@H](c3nnnn3Cc3ccccc3)N3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1C,C19826549_decoy,ITAL,Decoy,0,-8.4923,-9.35,-2.96,-8.353177081415764
COc1ccc(N2CCN([C@@H](c3cc4c(C)cc(C)cc4[nH]c3=O)c3nnnn3C3CCCC3)CC2)cc1,C19940933_decoy,ITAL,Decoy,0,-10.8534,-9.3,-1.46,-10.81961138446509
Cc1ccc(C)c(N2CCN([C@H](c3cc4ccc(C)cc4[nH]c3=O)c3nnnn3C3CCCCC3)CC2)c1,C19941476_decoy,ITAL,Decoy,0,-8.75427,-10.46,-3.1,-9.018956663609714
Cc1cc(C)c2cc([C@@H](c3nnnn3C[C@@H]3CCCO3)N3CCN(c4cccc(C)c4C)CC3)c(=O)[nH]c2c1,C20079662_decoy,ITAL,Decoy,0,-8.60492,-9.15,-2.93,-7.628826616689626
CCC(C)(C)n1nnnc1[C@@H](c1cc2c(C)cc(C)cc2[nH]c1=O)N1CCN(c2cc(C)ccc2C)CC1,C20079749_decoy,ITAL,Decoy,0,-8.59348,-9.76,-3.0,-14.089246296942498
Oc1ccc([C@@H](c2nnnn2Cc2ccc(F)cc2)N2CCN(c3nc4ccccc4s3)CC2)cc1,C13496444_decoy,ITAL,Decoy,0,-8.774,-9.06,-2.66,-10.102381531884856
FC(F)(F)[C@H]1C[C@H](c2cccs2)Nc2cc(-c3nc4c5cnn(-c6ccccc6)c5ncn4n3)nn21,C02802842_decoy,ITAL,Decoy,0,-7.8774,-4.93,-1.16,-4.8662375130865065
COc1cc(OC)c([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2)n2nnnc2N3)cc1OC,C28053718_decoy,ITAL,Decoy,0,-7.01471,-4.06,-3.0,-4.442293729679219
COc1cc(OC)c([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(F)cc2)n2nnnc2N3)cc1OC,C28055327_decoy,ITAL,Decoy,0,-6.89281,-4.91,-1.42,-4.755558414823444
COc1ccc([C@H]2C3=C(Nc4nnnn42)c2cc(Cl)ccc2O[C@@H]3c2cccc(OC)c2OC)cc1,C28055841_decoy,ITAL,Decoy,0,-7.8352,-4.7,-2.21,-5.44729812047309
COc1ccc([C@@H]2C3=C(Nc4nnnn42)c2cc(C)ccc2O[C@@H]3c2cc(OC)c(OC)c(OC)c2)cc1,C28056058_decoy,ITAL,Decoy,0,-7.80057,-4.76,-1.88,-6.094888918200566
COc1cccc([C@@H]2C3=C(Nc4nnnn42)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)c(OC)c2)c1,C28057058_decoy,ITAL,Decoy,0,-8.01724,-5.31,-2.65,-5.16905944008196
COc1cccc([C@@H]2C3=C(Nc4nnnn42)c2cc(Cl)ccc2O[C@@H]3c2ccc(OC)cc2OC)c1,C28057080_decoy,ITAL,Decoy,0,-7.76992,-5.05,-1.53,-5.451055481821864
CCOc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=C2[C@H](c2cccc(OC)c2)n2nnnc2N3)cc1OC,C28057133_decoy,ITAL,Decoy,0,-8.4896,-7.32,-1.58,-7.366266508185187
CCOc1ccc([C@H]2Oc3ccc(Cl)cc3C3=C2[C@@H](c2ccccc2F)n2nnnc2N3)cc1OC,C28057851_decoy,ITAL,Decoy,0,-8.72176,-5.2,-1.63,-5.413956771221059
COc1ccc([C@H]2C3=C(Nc4nnnn42)c2cc(C)ccc2O[C@H]3c2ccc(OC)c(OC)c2)c(OC)c1,C28058852_decoy,ITAL,Decoy,0,-7.05937,-4.64,-2.61,-4.788699505036164
COC(=O)c1ccc([C@@H]2Oc3ccc(C)cc3C3=C2[C@H](c2ccc(OC)cc2OC)n2nnnc2N3)cc1,C28058914_decoy,ITAL,Decoy,0,-8.33054,-5.06,-2.95,-5.186081160113173
Cc1cc([N+](=O)[O-])ccc1NC(=O)CSc1nc2sc3c(c2c(=O)n1-c1ccccc1)CCCC3,C32691947_decoy,ITAL,Decoy,0,-8.53921,-6.85,,99.0
Cc1cccc(-c2noc(-c3cn(CC(=O)Nc4ccc(C(F)(F)F)cc4)c4nc(C)ccc4c3=O)n2)c1,C33140879_decoy,ITAL,Decoy,0,-9.3379,-10.03,-4.06,-9.140047703084887
COc1ccc(NN(c2nc(-n3nc(C)cc3C)nc3sc4c(c23)CC(C)(C)OC4)N2CCCC2)cc1,C34786413_decoy,ITAL,Decoy,0,-9.94827,-7.88,-2.46,-8.454003400907501
CCOc1ccc(NC(=O)N2CCN(Cc3cc(=O)n4nc(-c5ccc(F)cc5)sc4n3)CC2)cc1,C35447139_decoy,ITAL,Decoy,0,-8.24317,-5.67,-2.92,-5.632861494920867
CCCc1nc(N2CCN(S(=O)(=O)c3ccc(NC(C)=O)cc3)CC2)c2c3c(sc2n1)CCCC3,C35867830_decoy,ITAL,Decoy,0,-9.1736,-5.19,-1.84,-6.071941476155452
CCOc1cc2nc3n(c(=O)c2cc1O)CCc1c-3n(S(=O)(=O)Oc2ccccc2)c2ccccc12,C39542048_decoy,ITAL,Decoy,0,-9.77781,-5.19,-2.07,-5.882696586604826
N#C/C(=C\c1c(N2CCN(c3ccccc3)CC2)nc2ccccn2c1=O)C(=O)Nc1ccccc1Cl,C39993991_decoy,ITAL,Decoy,0,-8.59524,-10.58,-3.15,-9.257385695764116
COc1cc([C@H]2c3c(oc4cc(C)c(C)cc4c3=O)C(=O)N2c2cc(C)on2)cc(Br)c1O,C40015184_decoy,ITAL,Decoy,0,-8.67889,-4.84,-1.45,-4.434671967582317
C=CCOC(=O)c1sc(N2C(=O)c3oc4c(C)cc(C)cc4c(=O)c3[C@H]2c2ccc(O)cc2)nc1C,C40045487_decoy,ITAL,Decoy,0,-8.89318,-4.52,-2.32,-5.457906677492562
COc1ccc([C@H]2CC(c3ccc(Cl)cc3)=Nc3[nH+]c([N-]S(=O)(=O)c4ccc(C)cc4)nn32)cc1,C09462096_decoy,ITAL,Decoy,0,-10.1554,-6.63,-2.63,-7.925140736486516
Cc1ccc(OCc2cccc(-c3nc4c5c(ncn4n3)Oc3n[nH]c(C)c3[C@@H]5c3cnn(C)c3)c2)c(C)c1,C22843225_decoy2,ITAL,Decoy,0,-8.52355,-6.82,,-6.509731255988216
[H]/N=C1C(=C\c2cn(CCOc3ccc(C)c(C)c3)c3ccccc23)/C(=O)N=C2SC(c3cccnc3)=NN2/1,C09210403_decoy,ITAL,Decoy,0,-7.68297,-9.25,-3.33,-6.730183604353418
CCc1ccc(NC(=O)c2cc(-c3ccc(OC)cc3)nc3c2c(C)nn3[C@@H]2CCS(=O)(=O)C2)cc1,C57310117_decoy,ITAL,Decoy,0,-8.11397,-5.2,-4.78,-5.186778249344108
COc1ccc(-c2cc(C(=O)Nc3cccc(Cl)c3)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1,C57310730_decoy,ITAL,Decoy,0,-10.6618,-5.67,-3.68,-6.381392869057244
COC(=O)c1ccc(NC(=O)c2cc(-c3ccc(C)cc3)nc3c2c(C)nn3[C@H]2CCS(=O)(=O)C2)cc1,C57311210_decoy,ITAL,Decoy,0,-8.5952,-6.43,-2.95,-7.0376966220291255
Cn1c(=O)c2c(nc(Sc3nnc(CNc4ccc(Cl)cc4)n3-c3ccccc3)n2C)n(C)c1=O,C59353352_decoy,ITAL,Decoy,0,-7.98962,-7.73,-3.19,-7.054715517947561
Cn1c2c(c(=O)n(C)c1=O)[C@H](c1ccc(Oc3cccc([N+](=O)[O-])c3)cc1)C1=C(N2)c2ccccc2C1=O,C59462013_decoy,ITAL,Decoy,0,-7.54217,-5.85,-2.19,-5.132789866792806
Cc1ccc(N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=Cc4ccccc4N2[C@@H]3C(=O)Nc2ccc([N+](=O)[O-])cc2)c(C)c1,C09009852_decoy,ITAL,Decoy,0,-8.1671,-10.58,-2.58,-10.576185621539976
Cc1cc(NC(=O)Cn2nc3c(Oc4ccccc4C)nc4ccccc4n3c2=O)ccc1Br,C35371825_decoy,ITAL,Decoy,0,-9.66366,-8.43,-3.23,-7.568716148472441
COc1cc([C@H]2CC(=O)Nc3c2c(C)nn3-c2ccc(Cl)nn2)ccc1OCc1ccc(Cl)cc1,C15083393_decoy,ITAL,Decoy,0,-8.49546,-6.19,-2.65,-5.800653312728669
Cc1cccn2c(=O)c(/C=C3\SC(=S)N(CC(=O)[O-])C3=O)c(Oc3ccccc3Cl)nc12,C02417739_decoy,ITAL,Decoy,0,-7.86611,-4.68,-4.53,-5.1645645366042325
Cc1cc(-n2c(C)cc(C(=O)Cn3cnc4oc(C)c(C(=O)[O-])c4c3=O)c2C)ccc1Br,C13057171_decoy,ITAL,Decoy,0,-6.6772,-8.8,-3.6,-6.728484126358484
Cc1nn(-c2ccc(F)cc2)c(Cl)c1[C@H]1C=C(c2ccc(O[C@@H](C)C(=O)[O-])cc2)Nc2nnnn21,C13077445_decoy,ITAL,Decoy,0,-7.65438,-8.43,-2.01,-6.502199557076266
CCSc1nnc2c(n1)O[C@H](c1cc(Br)ccc1OCC(=O)[O-])Nc1ccccc1-2,C08384630_decoy,ITAL,Decoy,0,-7.97724,-5.15,-2.13,-5.17423035690085
O=C1OC(c2ccc(NS(=O)(=O)c3ccc4ccccc4c3)cc2)=N/C1=C\c1ccc(C(=O)[O-])cc1,C13218224_decoy,ITAL,Decoy,0,-9.05071,-10.86,-2.92,-8.217205706866455
COc1cc(S(=O)(=O)Oc2ccc(I)cc2C(=O)[O-])ccc1NC(C)=O,C13263261_decoy,ITAL,Decoy,0,-7.47149,-7.91,-2.58,-8.178602693221666
Cc1sc2nc(SCc3nc4sc(C(=O)[O-])c(C)c4c(=O)[nH]3)n(CC(C)C)c(=O)c2c1C,C13352698_decoy,ITAL,Decoy,0,-9.60805,-7.1,-1.33,-9.369049625905648
Cc1c(C(=O)[O-])sc2nc(CSc3nc4ccccc4c(=O)n3-c3ccccc3F)[nH]c(=O)c12,C13412327_decoy,ITAL,Decoy,0,-8.42778,-8.68,-1.58,-7.573610274420202
COc1cc([C@H]2Nc3ccccc3-c3nnc(SCc4ccccc4)nc3O2)cc([N+](=O)[O-])c1[O-],C02823286_decoy,ITAL,Decoy,0,-6.89226,-8.8,-3.6,-7.033878853114747
COc1ccc(-n2c([S-])nc3cc(C(=O)Nc4ccc(OC)c(Cl)c4)ccc3c2=O)c(OC)c1,C03631371_decoy,ITAL,Decoy,0,-8.68278,-7.26,-4.47,-7.518975656045747
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)nc1C,C09360293_decoy,ITAL,Decoy,0,-7.92385,-6.92,-4.35,-6.992677700420261
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@]3(C(=O)N(c4ccc(OC)cc4)C(=O)N=C3[O-])[C@@H]2C1,C16956837_decoy,ITAL,Decoy,0,-8.63416,-4.55,-2.57,-5.343579410539164
C[C@@H]1CCc2cc(F)ccc2N1S(=O)(=O)c1ccc([N-]S(=O)(=O)c2cccc([N+](=O)[O-])c2)cc1,C20572302_decoy,ITAL,Decoy,0,-7.20271,-8.21,-3.53,-6.566471778004617
Cc1cc(NC(=O)c2cc(Cl)ccc2[N+](=O)[O-])n(-c2nc([O-])c3cnn(-c4ccccc4)c3n2)n1,C21110492_decoy,ITAL,Decoy,0,-6.46229,-5.32,-2.78,-5.107635414222915
Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n(-c2nc([O-])c3cnn(-c4cccc(Cl)c4)c3n2)n1,C21112154_decoy,ITAL,Decoy,0,-6.96582,-6.64,-2.11,-5.807272534831263
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)n1,C21113007_decoy,ITAL,Decoy,0,-5.83816,-5.18,-2.9,-4.494324209130777
Cc1cc(NC(=O)c2cc([N+](=O)[O-])ccc2Cl)n(-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)n1,C21113023_decoy,ITAL,Decoy,0,-8.09841,-7.5,-2.13,-6.715155587991555
Cc1cc(NC(=O)c2ccc(C(F)(F)F)cc2)n(-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)n1,C21113460_decoy,ITAL,Decoy,0,-8.32847,-5.13,-2.1,-5.907726060801712
Cc1cc(NC(=O)c2cccc(Br)c2)n(-c2nc([O-])c3cnn(-c4ccc(C)c(C)c4)c3n2)n1,C21113820_decoy,ITAL,Decoy,0,-8.52163,-6.65,-2.62,-6.732364723816739
O=C(Nc1cc(-c2ccco2)nn1-c1nc([O-])cc(-c2ccccc2)n1)c1cc(Cl)ccc1[N+](=O)[O-],C12009195_decoy,ITAL,Decoy,0,-6.35877,-9.55,-1.67,-7.528734343891339
COc1ccc([C@@H]2[C@H](/N=C/C3=C([O-])CC(C)(C)CC3=O)[C@H](c3ccc(OC)cc3)Nc3ncnn32)cc1,C15830379_decoy,ITAL,Decoy,0,-9.56843,-5.08,-3.24,-6.355672507305441
CN(C)S(=O)(=O)c1ccc(S(=O)(=O)[N-]c2ccc(F)c(-c3nnc4n3CCCCC4)c2)cc1,C22759009_decoy,ITAL,Decoy,0,-7.88686,-6.18,-3.39,-5.372200684478046
Cc1ccc(S(=O)(=O)Nc2ccc3c(c2)c(C(=O)[O-])c(C)n3S(=O)(=O)c2ccc(C)cc2)cc1,C28580300_decoy,ITAL,Decoy,0,-7.79054,-9.06,-3.52,-8.012928222394695
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)C34C[C@H]5C[C@@H](C3)CC(n3cnc(Cl)n3)(C5)C4)cc2)no1,C12649616_decoy,ITAL,Decoy,0,-9.40028,-8.72,-1.98,-11.119704988383658
Cc1cc(S(=O)(=O)[N-]c2ccc(N3CCN(C)CC3)cc2)c(C)cc1N1CCCCS1(=O)=O,C32537479_decoy,ITAL,Decoy,0,-8.45962,-5.19,-2.34,-6.185479351199796
CCCc1nc(N2CCN(/C([O-])=N/S(=O)(=O)c3ccc(C)cc3)CC2)c2c3c(sc2n1)C[C@@H](C)CC3,C34919945_decoy,ITAL,Decoy,0,-8.91822,-9.56,-1.52,-7.578095951094669
O=C(Nc1ccc(S(=O)(=O)[N-]c2nccs2)cc1)c1ccc(N2C(=O)c3ccccc3C2=O)cc1,C02621773_decoy,ITAL,Decoy,0,-6.84714,-6.9,-3.42,-5.193702012063595
COc1ccc(-n2c(=O)c3c4c(sc3n3c(S[C@H](C)C(=O)[O-])nnc23)CO[C@@H](C(C)C)C4)cc1,C38610041_decoy,ITAL,Decoy,0,-7.82086,-6.11,-1.49,-6.515799709442529
O=C1N=C2Oc3ccccc3[C@@H]([C@H]3C([O-])=NC(=O)N(c4ccccc4)[C@H]3O)[C@@H]2C(=O)N1c1ccccc1,C38701885_decoy,ITAL,Decoy,0,-9.50125,-6.26,-3.36,-6.141607014415213
Cc1cc(NC(=O)[C@@H](C)Oc2ccccc2)n(-c2nc([O-])c3cnn(-c4cccc(Cl)c4)c3n2)n1,C11695425_decoy,ITAL,Decoy,0,-6.39194,-5.83,-3.21,-5.019916252636728
COc1ccc(C(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)cc1OC,C17135720_decoy,ITAL,Decoy,0,-6.98853,-5.87,-3.26,-5.970132079165745
COc1ccc2cc(C(=O)C3=C([O-])C(=O)N(c4nccs4)[C@H]3c3cccc([N+](=O)[O-])c3)ccc2c1,C39848826_decoy,ITAL,Decoy,0,-7.74122,-7.72,-4.56,-7.059917724743695
CCOc1cccc([C@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2[C@H]2CCS(=O)(=O)C2)c1,C40548309_decoy,ITAL,Decoy,0,-7.38331,-4.95,-2.39,-5.077909353700236
C=CCn1c(SCc2nc3oc(C)c(C(=O)[O-])c3c(=O)[nH]2)nc2sc3c(c2c1=O)CCCCC3,C13255206_decoy,ITAL,Decoy,0,-7.67195,-6.86,-2.54,-6.335603189398607
COc1cc([C@@H]2c3sc([O-])nc3S[C@@H]3C(=O)N(c4ccc(F)cc4)C(=O)[C@H]23)cc(OC)c1O,C47147310_decoy,ITAL,Decoy,0,-9.25195,-4.73,-2.59,-5.555595771524101
COc1ccc(/N=C([O-])/C(C#N)=c2\s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2-c2ccccc2)cc1,C12273841_decoy,ITAL,Decoy,0,-6.37868,-6.66,,99.0
CC[C@@H](C)n1c([O-])c(/C=N/c2c(Br)cc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O,C39894532_decoy,ITAL,Decoy,0,-7.31768,-4.71,-2.06,-4.80191685544883
O=C1N=C([O-])/C(=C\c2ccccc2OS(=O)(=O)c2ccccc2)C(=O)N1c1ccc([N+](=O)[O-])cc1,C32673075_decoy,ITAL,Decoy,0,-8.63532,-9.53,-1.51,-9.045371846908631
COC(=O)c1c(-n2c(C)cc(/C=C3\C(=O)N(C4CCCCC4)C(=O)N=C3[O-])c2C)sc2c1CCCC2,C13551313_decoy1,ITAL,Decoy,0,-9.46399,-8.27,,-7.59650383533503
O=C1N=C([O-])/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3Br)o2)C(=O)N1c1ccc(F)cc1,C59106193_decoy,ITAL,Decoy,0,-7.58802,-5.54,-1.67,-5.009248898907164
Cc1ccc(S(=O)(=O)[N-]/N=C2\C(=O)N(CCN3C(=O)c4ccccc4C3=O)c3ccccc32)cc1,C59166009_decoy,ITAL,Decoy,0,-7.49932,-9.52,,99.0
O=C(Cn1cc(/C=C2\C(=O)N(c3ccc(F)cc3)C(=O)N=C2[O-])c2ccccc21)Nc1ccc(Cl)cc1,C59336674_decoy,ITAL,Decoy,0,-8.62283,-9.37,-1.81,-8.025347696574265
COc1cc(C=C2C(=O)OC(C)(C(C)(C)C)OC2=O)cc(I)c1OCC(=O)[O-],C59567161_decoy,ITAL,Decoy,0,-7.68302,-4.41,-2.14,-4.722070768709428
COc1cc(/C=C2\C(=O)N(c3cc(C)c(C)cc3Br)C(=O)N=C2[O-])cc(OC)c1OC,C59862366_decoy,ITAL,Decoy,0,-8.32119,-7.83,-1.63,-9.361466428692994
Cc1ccccc1OCc1nc2ccccc2c(=O)n1/N=C/c1cc([N+](=O)[O-])cc(Br)c1[O-],C38163432_decoy,ITAL,Decoy,0,-8.47119,-8.15,-1.76,-9.79666764679939
Cc1ccc(/N=C(\[O-])C(C#N)=c2s/c(=C/c3ccc([N+](=O)[O-])cc3)c(=O)n2-c2ccccc2)cc1C,C61932216_decoy,ITAL,Decoy,0,-6.79204,-6.39,-2.91,-5.1979824057937405
CC1(C)CC2=NC3=NC(SCc4ccc([N+](=O)[O-])cc4)=NC(=O)[C@H]3[C@H](c3cccs3)C2=C([O-])C1,C39749449_decoy,ITAL,Decoy,0,-10.5585,-8.29,-3.28,-8.624237226659067
CC1(C)CC2=NC3=NC(SCc4ccc([N+](=O)[O-])cc4)=NC(=O)[C@H]3[C@H](c3cccnc3)C2=C([O-])C1,C39749487_decoy,ITAL,Decoy,0,-8.71428,-9.04,-2.75,-7.661503689637477
COC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N=C([O-])N(C4CCCCC4)C3=O)c2C)sc2c1CCCC2,C13551313_decoy2,ITAL,Decoy,0,-8.98006,-6.11,,-7.054482325134467
Cc1ccc(-n2ncc3c([O-])nc(-n4nc(C)cc4NC(=O)c4cc(=O)c5ccccc5o4)nc32)cc1,C16847760_decoy,ITAL,Decoy,0,-7.518,-7.63,-3.38,-7.220583736133723
Cc1ccc(NC(=O)CN2C(=O)S/C(=C/c3cc(Br)c([O-])c([N+](=O)[O-])c3)C2=O)cc1C,C08722421_decoy,ITAL,Decoy,0,-7.45231,-8.29,-1.47,-8.010131499275158
O=C([O-])c1ccc(Cl)c(S(=O)(=O)Oc2ccc3c(=O)c(Oc4ccc(F)cc4)coc3c2)c1,C13185151_decoy,ITAL,Decoy,0,-8.0456,-6.84,-3.41,-6.1894261889072375
Cc1ccc(C)n1NC(=O)c1ccc(OS(=O)(=O)c2cc(C(=O)[O-])ccc2Br)cc1,C13309762_decoy,ITAL,Decoy,0,-6.92849,-7.2,-2.26,-5.9506735618105
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc([NH+]=C3C([N+](=O)[O-])=CC=C4[N-]C5(CCCCC5)N=C43)cc2)n1,C08934561_decoy,ITAL,Decoy,0,-9.25912,-6.54,-2.28,-6.410443566172705
Cc1cc(C)cc(N2C(=O)N=C([O-])C(=Cc3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)c1,C09310888_decoy,ITAL,Decoy,0,-7.11653,-8.34,-2.64,-8.081620747825399
CCOc1ccc(N2C(=O)/C(=C\c3ccc(-c4cc([N+](=O)[O-])ccc4Cl)o3)C([O-])=NC2=S)cc1,C13785945_decoy,ITAL,Decoy,0,-6.89136,-7.2,-1.88,-8.097709965114907
COc1ccc(N2C(=O)N=C([O-])/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1,C20158188_decoy,ITAL,Decoy,0,-6.91187,-6.81,-2.33,-5.554106410618329
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@H]2c2ccccc2F)nc1C,C09360297_decoy,ITAL,Decoy,0,-8.4976,-4.9,-2.62,-5.616820001192203
Cc1cc(C)c(N2C(=O)N=C([O-])[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@H](C)[C@H]43)C2=O)c(C)c1,C16995044_decoy,ITAL,Decoy,0,-7.21379,-5.71,-2.51,-4.697861535146918
Cc1cc(C)cc(N2C[C@H](c3nnc(/N=C(\[O-])c4cc([N+](=O)[O-])cc([N+](=O)[O-])c4C)s3)CC2=O)c1,C20580072_decoy,ITAL,Decoy,0,-6.9536,-7.42,-2.07,-7.827732209614247
Cc1ccc(Cn2cc(-n3c([S-])nnc3-c3ccn(Cn4cc(Br)cn4)n3)cn2)cc1,C02808778_decoy,ITAL,Decoy,0,-10.5284,-6.57,-3.95,-8.371852280108426
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2nc([O-])c3cnn(-c4cccc(Cl)c4)c3n2)n1,C21112134_decoy,ITAL,Decoy,0,-7.54383,-6.3,-3.16,-5.73056686140535
COc1ccc(Cl)cc1C(=O)Nc1cc(C)nn1-c1nc([O-])c2cnn(-c3ccc(Cl)cc3)c2n1,C21112546_decoy,ITAL,Decoy,0,-7.53132,-5.53,-1.82,-5.589568407149238
Cc1cc(NC(=O)c2ccc(Cl)cc2Cl)n(-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)n1,C21112981_decoy,ITAL,Decoy,0,-8.25919,-5.8,-1.43,-5.964555630620275
Cc1cc(NC(=O)c2cccc([N+](=O)[O-])c2C)n(-c2nc([O-])c3cnn(-c4ccc(C)c(C)c4)c3n2)n1,C21113859_decoy,ITAL,Decoy,0,-6.70876,-5.67,-3.16,-5.514647503381745
CCOc1cc([C@@H]2CC(=O)NC3=C2C(=O)C[C@@H](c2ccc(Cl)c(Cl)c2)C3)cc([N+](=O)[O-])c1[O-],C21224518_decoy,ITAL,Decoy,0,-8.90483,-5.17,-1.4,-5.900397316919548
COc1ccc(N2CCN([C@@H](c3cccs3)c3sc4nc(-c5ccco5)nn4c3[O-])CC2)cc1,C22852584_decoy,ITAL,Decoy,0,-8.15437,-5.48,-2.03,-5.67976852610486
Cc1ccnc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(-c4ccc5c(c4)C[C@H](C)O5)on3)cc2)n1,C27749654_decoy,ITAL,Decoy,0,-7.05316,-6.94,-4.16,-5.036540366035066
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(-c4ccc(C)c(Cl)c4)o3)cc2)n1,C30826470_decoy,ITAL,Decoy,0,-8.36069,-8.13,-2.6,-6.474007940240062
O=C1/C(=C/c2ccc(-c3ccc([N+](=O)[O-])cc3)o2)C([O-])=NC(=S)N1c1cccc(Br)c1,C17179817_decoy,ITAL,Decoy,0,-7.5942,-7.95,-3.18,-5.974973968604287
Cc1ccc(NC2C([N+](=O)[O-])=CC(=C([O-])n3c(C)cc(=O)n(C(C)C)c3=S)C=C2[N+](=O)[O-])c(C)c1,C33781679_decoy,ITAL,Decoy,0,-7.3381,-8.32,-2.73,-7.417765950151022
N#C/C(=C\c1cn(CC(=O)Nc2ccc(Cl)cc2)nc1-c1ccccc1)c1nc([O-])c2ccccc2n1,C34988202_decoy,ITAL,Decoy,0,-7.39661,-9.58,-3.2,-7.585452624796974
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(N3CC4=C(C3=O)[C@@H](c3ccccc3)NC(=O)N4C)cc2)n1,C35326615_decoy,ITAL,Decoy,0,-9.07597,-8.4,,99.0
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3nc4c(C)cccn4c3C)[C@@H]2c2ccccc2F)nc1C,C35483782_decoy,ITAL,Decoy,0,-8.20548,-8.69,-2.65,-7.572840276449609
Cc1ccc(S(=O)(=O)[N-]/N=C/c2cc(Br)cc(Br)c2O)cc1[N+](=O)[O-],C20928408_decoy,ITAL,Decoy,0,-6.55084,-7.89,-2.98,-8.103488129047383
O=C1N=C2Oc3ccccc3[C@@H]([C@@H]3C([O-])=NC(=O)N(c4ccccc4)[C@H]3O)[C@@H]2C(=O)N1c1ccccc1,C38701882_decoy,ITAL,Decoy,0,-7.32404,-9.86,-2.54,-7.378059991200309
Cc1ccc2nc([N-]S(=O)(=O)c3ccc(-n4ccc5c(cnc6ncnn65)c4=O)cc3)sc2c1,C38784106_decoy,ITAL,Decoy,0,-7.10615,-6.38,-1.68,-5.066763092447953
Cc1c(C(=O)[O-])sc2nc(CSC3=N[C@@H]4SC=C(c5ccccc5)[C@H]4C(=O)N3C)[nH]c(=O)c12,C39691844_decoy,ITAL,Decoy,0,-7.84444,-6.94,-1.55,-6.1018007593798975
Cc1cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)ccc1Cl,C39835723_decoy,ITAL,Decoy,0,-10.4093,-8.55,-2.67,-11.240134749790396
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4c(C)cccn34)[C@H]2c2ccccc2F)nc1C,C40003353_decoy,ITAL,Decoy,0,-9.0823,-6.96,-2.37,-6.942826942943729
CCOc1ccc([C@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2c2nnc(C)s2)cc1,C40003376_decoy,ITAL,Decoy,0,-7.74768,-8.68,-2.05,-7.616240568885091
CC(C)(C)c1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(CC(=O)[O-])C2=O)cc1,C40221192_decoy,ITAL,Decoy,0,-9.25456,-5.26,-1.68,-5.967592385090104
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3sc4nc(-c5ccccc5)cn4c3C)cc2)n1,C40828079_decoy,ITAL,Decoy,0,-8.11573,-7.04,-4.12,-6.0357614285268575
COc1cccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc([O-])c32)c1,C16960300_decoy,ITAL,Decoy,0,-10.1928,-9.29,-1.3,-9.084313515132171
CN(C)c1ccc([C@@H]2C3=C(CCCC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc([O-])c32)cc1,C16915025_decoy,ITAL,Decoy,0,-9.09495,-5.4,-3.13,-5.39318795886936
COc1cc([C@@H]2c3sc([S-])nc3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)ccc1O,C40475527_decoy,ITAL,Decoy,0,-8.25685,-5.91,-1.84,-6.030502059277811
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1/C=C1/C(=O)N([C@@H](C)C23CC4CC(CC(C4)C2)C3)C(=O)N=C1[O-],C08721675_decoy,ITAL,Decoy,0,-7.2938,-7.76,-3.22,-6.071170503798296
COc1ccc([N+](=O)[O-])cc1-c1ccc(/C=C2/C(=O)N(c3cccc(Br)c3)C(=O)N=C2[O-])o1,C59198436_decoy,ITAL,Decoy,0,-8.07092,-8.06,-1.72,-7.011060939551196
Cc1ccc(NC(=O)Cn2cc(/C=C3\C(=O)N(c4ccc(F)cc4)C(=O)N=C3[O-])c3ccccc32)cc1,C59336675_decoy,ITAL,Decoy,0,-8.5457,-8.34,-3.32,-7.454399676766217
Cc1ccc(N2C(=O)N=C([O-])/C(=C\c3ccc(Oc4ccc([N+](=O)[O-])cc4[N+](=O)[O-])cc3)C2=O)cc1,C59426713_decoy,ITAL,Decoy,0,-5.84559,-8.41,-3.27,-8.759489534267168
COc1ccc(N2C(=O)/C(=C\c3cc(C)n(-c4ccc(C)c([N+](=O)[O-])c4)c3C)C([O-])=NC2=S)c(OC)c1,C59595841_decoy,ITAL,Decoy,0,-7.11625,-7.66,-2.31,-5.97183939467267
CCOc1ccc(N2C(=O)N=C([O-])[C@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@@H](C)O[C@@H](C)[C@@H]43)C2=O)cc1,C09348228_decoy,ITAL,Decoy,0,-7.56495,-5.53,-1.38,-5.176465332208883
CN(C)c1ccc([C@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccc([N+](=O)[O-])cc4)=NC(=O)[C@@H]32)cc1,C39749328_decoy,ITAL,Decoy,0,-8.17336,-7.45,-1.53,-6.812781553336026
CC1(C)CC2=NC3=NC(SCc4ccc([N+](=O)[O-])cc4)=NC(=O)[C@H]3[C@@H](c3cccc(O)c3)C2=C([O-])C1,C39749469_decoy,ITAL,Decoy,0,-8.13661,-5.82,-2.56,-5.289751981620972
COc1ccc(-c2[nH]nc3c2[C@H](c2cc(OC)c(OC)cc2OC)C2=C([O-])CC(C)(C)CC2=N3)cc1,C09597465_decoy,ITAL,Decoy,0,-9.30421,-4.3,-2.19,-5.7684548708142165
O=C([O-])COc1ccc([C@H]2C3=C(C[C@H](c4ccco4)CC3=O)NC3=NN(c4ccccc4)C(=O)[C@H]32)cc1,C12349874_decoy2,ITAL,Decoy,0,-7.66689,-4.89,,-4.386098223385779
CCOC(=O)c1c(-n2c(C)cc(/C=C3/C(=O)N=C([O-])N(C4CCCCC4)C3=O)c2C)sc2c1CCCC2,C13536377_decoy,ITAL,Decoy,0,-9.71994,-8.88,-2.44,-8.800521696447081
COc1ccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)N=C2[O-])cc1,C08997293_decoy,ITAL,Decoy,0,-8.2484,-8.04,-1.88,-8.506206002450527
COc1ccc([C@H]2c3sc([S-])nc3S[C@@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)cc1O,C40475569_decoy2,ITAL,Decoy,0,-11.3262,-8.59,,-10.28557082776226
Cc1ccc(N2C[C@@H](c3nc(-c4ccc([N-]S(=O)(=O)c5cccs5)cc4)no3)CC2=O)cc1C,C65319132_decoy,ITAL,Decoy,0,-8.45738,-7.71,-3.49,-6.433786086988755
CC1=NC2=C(C(=O)C[C@@H](c3ccccc3)C2)[C@H](c2ccc([O-])c([N+](=O)[O-])c2)C1C(=O)OCc1ccccc1,C01182083_decoy,ITAL,Decoy,0,-8.328,-8.66,-3.22,-7.8092551547160305
Cc1ccc2c(CSc3nc4cc(C(=O)[O-])ccc4c(=O)n3CCc3ccccc3)cc(=O)oc2c1,C13045192_decoy,ITAL,Decoy,0,-8.98738,-9.05,-3.12,-8.745964646838926
CN(c1ccc(OS(=O)(=O)c2ccc(Cl)c(C(=O)[O-])c2)cc1)S(=O)(=O)c1ccc(F)cc1,C13067555_decoy,ITAL,Decoy,0,-7.86654,-7.8,-2.31,-7.086663083355478
O=C(Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1)[C@H]1CC=CC[C@H]1C(=O)[O-],C13469662_decoy,ITAL,Decoy,0,-9.06035,-5.03,-2.76,-6.006457914747126
O=C([O-])[C@@H]1CC=CC[C@H]1C(=O)Nc1ccc(F)cc1S(=O)(=O)Nc1ccc(Br)cc1,C13469666_decoy,ITAL,Decoy,0,-8.62756,-5.09,-3.59,-5.70701279634605
Nc1c(/C([O-])=N/c2nnc(SCc3ccccc3Cl)s2)sc2nc(-c3ccncc3)ccc12,C09089962_decoy,ITAL,Decoy,0,-9.45784,-7.59,-2.19,-9.605885698494175
Cc1cccc(NC(=O)COc2ccc(/C=C3/C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)N=C3[O-])cc2)c1,C16225982_decoy,ITAL,Decoy,0,-7.67479,-7.88,-1.79,-6.329590746083863
COc1ccc(CCC(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4ccc(C)c(C)c4)c3n2)cc1,C21114040_decoy,ITAL,Decoy,0,-7.16474,-5.1,-2.62,-5.024107263050486
COc1cc([C@H]2CC(=O)C3=C(C2)NC(=O)C[C@@H]3c2cc(OC)c([O-])c([N+](=O)[O-])c2)ccc1OC(C)C,C21238039_decoy,ITAL,Decoy,0,-6.55821,-5.06,-1.65,-5.281618291566536
Cc1ccc(-c2nnc([S-])n2CC(=O)NCc2cn(-c3ccccc3)nc2-c2ccc(F)cc2)cc1,C10908748_decoy,ITAL,Decoy,0,-8.83993,-9.23,-3.77,-8.167351477115652
CN(CCCNC(=O)c1nc([O-])c2ccccc2n1)C(=O)c1ccc(-c2cc3ccccc3oc2=O)cc1,C22471568_decoy,ITAL,Decoy,0,-7.47048,-6.9,-3.65,-5.552295971925546
C[C@]12C=C/C(=N\OCC(=O)NCc3ccc(C(=O)[O-])cc3)C=C1CC[C@@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,C12859433_decoy,ITAL,Decoy,0,-7.87931,-6.52,-2.97,-6.513285025401811
C[C@]12C=C/C(=N\OCC(=O)NCc3ccc(C(=O)[O-])cc3)C=C1CC[C@H]1[C@H]2CC[C@@]2(C)[C@H]1CC[C@]2(C)O,C12859448_decoy,ITAL,Decoy,0,-8.8904,-7.01,-2.84,-6.644042673049184
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2)nc1C,C00703189_decoy,ITAL,Decoy,0,-8.38337,-6.89,-2.6,-6.786732227935776
CCCOc1cccc([C@@H]2C(C(=O)c3ccc(C)o3)=C([O-])C(=O)N2c2nc3c(C)cc(C)cc3s2)c1,C33547725_decoy,ITAL,Decoy,0,-8.97164,-7.73,-3.6,-7.898855937249412
Cc1ccc(C)c(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4)s3)[C@H]2c2ccco2)c1,C33587626_decoy,ITAL,Decoy,0,-9.12454,-5.5,-1.95,-6.097576552876334
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@@H]2c2ccc(C)o2)cc1,C35264104_decoy,ITAL,Decoy,0,-9.01118,-7.57,-2.24,-7.500323434403159
C=CCOc1c(Br)cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OC,C35657119_decoy,ITAL,Decoy,0,-8.84352,-7.2,-3.32,-9.401350918779986
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3cc(C)on3)[C@@H]2c2ccc(Br)cc2)cc1,C08896077_decoy,ITAL,Decoy,0,-7.47574,-8.91,-2.31,-7.727915381336585
CCc1ccc(N2C(=O)/C(=C\c3cn(CCOc4ccccc4Cl)c4ccccc34)C(=O)N=C2[O-])cc1,C36558972_decoy,ITAL,Decoy,0,-8.07853,-8.65,,99.0
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4ccccn34)[C@H]2c2ccccc2)nc1C,C33813825_decoy,ITAL,Decoy,0,-8.70711,-7.85,-3.09,-7.597423623761952
Cc1nc(-n2nc(-c3cccs3)cc2NC(=O)Cc2ccc(S(=O)(=O)C(C)C)cc2)nc([O-])c1C,C38740665_decoy,ITAL,Decoy,0,-8.38292,-7.32,-3.78,-7.367346765382539
CC(C)(C)c1ccc(C(=O)Nc2cccc(NC(=O)c3ccc([N-]S(C)(=O)=O)cc3Cl)c2)cc1,C38756070_decoy,ITAL,Decoy,0,-7.96875,-5.51,-4.2,-6.178004743999914
COc1cc([C@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])cc(Br)c1OCc1ccccc1,C39351873_decoy,ITAL,Decoy,0,-7.80758,-7.23,-2.33,-7.388132271027474
Cc1cccc(-n2ncc3c([O-])nc(-n4nc(C)cc4NC(=O)COc4ccc(C(C)C)cc4)nc32)c1,C11695399_decoy,ITAL,Decoy,0,-8.14365,-6.38,-3.85,-7.525224681499322
CCOC(=O)[C@@H]1C2=C(CCCCC2)S[C@@H]1NC(=O)[C@@H](C)Sc1nnc2nc([O-])c3c(n12)CCC3,C39733497_decoy,ITAL,Decoy,0,-9.47504,-8.66,-1.42,-8.867441926105107
Cc1ccc(CSc2nnc(N3C(=O)C([O-])=C(C(=O)c4ccc(C)o4)[C@@H]3c3ccccc3)s2)cc1,C39835240_decoy,ITAL,Decoy,0,-8.0061,-5.32,-2.33,-5.914312580882263
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@@H]2c2cccs2)o1,C39835307_decoy,ITAL,Decoy,0,-9.86094,-5.01,-2.12,-6.039390271687906
Cc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCc4ccccc4F)s3)[C@H]2c2ccco2)o1,C39835310_decoy,ITAL,Decoy,0,-9.36395,-5.86,-2.46,-5.779104238497633
CCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2c2nccs2)cc1OC,C40003285_decoy,ITAL,Decoy,0,-9.46755,-8.13,-4.03,-10.23804733288174
CCCOc1ccc([C@@H]2C(C(=O)c3c(C)nc4c(C)cccn34)=C([O-])C(=O)N2c2nnc(C)s2)cc1,C40003393_decoy,ITAL,Decoy,0,-8.32044,-8.61,,99.0
Cc1ccc(C(=O)Nc2nc3ccc([N-]S(=O)(=O)c4ccc5c(c4)CCC(=O)N5)cc3s2)s1,C40152660_decoy,ITAL,Decoy,0,-9.33643,-7.07,-1.83,-6.563560443679125
COc1ccc(-c2nc(NC(=O)c3ccc(S(=O)(=O)[N-]c4ccccc4F)cc3)sc2C)cc1,C45633399_decoy,ITAL,Decoy,0,-8.86267,-8.41,-2.07,-9.64168719172843
Cc1ccc(NC(=O)/C([O-])=C(\C(=O)c2cccc([N+](=O)[O-])c2)[C@H]2OC(=O)c3ccccc32)c([N+](=O)[O-])c1,C48552430_decoy,ITAL,Decoy,0,-7.59835,-8.66,-3.47,-8.241798904779579
C=CCn1c([S-])nnc1-c1s/c(=N/C(=O)COc2ccc(-c3ccccc3)cc2Cl)[nH]c1C,C22890582_decoy,ITAL,Decoy,0,-8.64176,-8.57,-2.71,-6.268436720473103
C[C@H](COc1ccccc1)Cn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2[O-])c2ccccc21,C08984804_decoy,ITAL,Decoy,0,-7.81098,-8.65,-2.54,-7.781343001252988
Cc1ccc([C@H]2C3=C(CC(C)(C)CC3=O)Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc([O-])c32)cc1,C17041212_decoy,ITAL,Decoy,0,-9.27862,-6.17,-2.82,-6.246219197247878
Cc1ccc(CSc2nc([O-])c3c(n2)NC2=C(C(=O)CC(C)(C)C2)[C@@H]3c2ccc([N+](=O)[O-])cc2)cc1,C33810581_decoy,ITAL,Decoy,0,-8.73815,-5.57,-2.93,-5.812852548715447
Cc1ccc(NC(=O)c2c(-n3c(C)cc(/C=C4/C(=O)NC(=O)N=C4[O-])c3C)sc3c2CCCC3)cc1,C59249218_decoy,ITAL,Decoy,0,-9.87503,-8.54,-3.23,-8.142946729586468
COC(=O)COc1ccc(Br)cc1/C=C1/S/C(=N\c2ccc(C(=O)[O-])cc2)N(C)C1=O,C59598686_decoy,ITAL,Decoy,0,-8.10429,-7.64,-2.09,-9.18629468781446
Cc1ccc(C(=O)[O-])cc1-c1ccc(/C=N/NC(=O)c2ccc(-n3c(C)ccc3-c3ccccc3)cc2)o1,C59680082_decoy,ITAL,Decoy,0,-8.56082,-8.98,-4.27,-8.775016938032495
CC(C)c1ccc2c(c1)/C(=N/NC(=O)c1cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c1)C(O)=N2,C17887172_decoy,ITAL,Decoy,0,-7.45934,-6.05,-3.55,-5.578204203966019
[H]/N=C1/N=C(c2cc(F)ccc2F)/C(=N/Nc2cccc(S(=O)(=O)[N-]c3cccc(Cl)c3)c2)S1,C13134473_decoy,ITAL,Decoy,0,-8.51905,-9.5,-2.1,-8.63910550869767
[H]/N=C1/N=C(c2ccc(F)cc2)/C(=N/Nc2cc(S(=O)(=O)[N-]c3cccc(Cl)c3)ccc2C)S1,C13134410_decoy,ITAL,Decoy,0,-8.27709,-6.19,-1.7,-6.283127967686221
O=C(Nc1ccc(Br)c(C(F)(F)F)c1)C1=CNN(c2ccc([O-])nn2)[C@@H]1C(F)(F)F,C39782177_decoy,ITAL,Decoy,0,-6.63467,-5.18,-1.84,-4.9949993494349805
CCOc1ccc([C@@H]2C3=C([O-])CCCC3=NC3=NC(SCc4ccc([N+](=O)[O-])cc4)=NC(=O)[C@H]32)cc1,C39749326_decoy,ITAL,Decoy,0,-8.40151,-7.03,-1.84,-9.674312288453947
O=C(/C=C\Nc1ccc(S(=O)(=O)[N-]c2cnc3ccccc3n2)cc1)c1ccc(Cl)c(Cl)c1,C15836681_decoy,ITAL,Decoy,0,-7.87252,-7.74,-2.8,-6.62459707862358
COc1ccc(OCCn2cc(/C=C3/C(=O)N=C([O-])N(c4ccc(F)cc4)C3=O)c3ccccc32)cc1,C13685934_decoy,ITAL,Decoy,0,-8.60752,-8.26,-3.06,-8.39585273473236
CC(C)c1ccc2[nH]c(O)c(/N=N/C(=O)c3cccc(S(=O)(=O)[N-]c4ccccc4Cl)c3)c2c1,C13122292_decoy,ITAL,Decoy,0,-8.09498,-5.98,-3.38,-5.906811378274034
CCN(CC)C(=O)c1sc(-c2cc(S(=O)(=O)[N-]c3ccc(F)cc3Cl)c(C)n2C)nc1C,C65036577_decoy,ITAL,Decoy,0,-8.88587,-7.96,-1.61,-11.221537757131289
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,C09033174_decoy,ITAL,Decoy,0,-8.55929,-7.29,-3.05,-7.770695589999907
CCOC(=O)C1=C(C)N=c2s/c(=C/c3ccc(-c4cccc(C(=O)[O-])c4)o3)c(=O)n2[C@H]1c1ccccc1,C09109273_decoy,ITAL,Decoy,0,-7.7094,-5.86,-2.09,-4.830760801044251
O=C1/C(=C2/C=C(O)c3ccccc3[N-]2)C(CSc2ccc(Cl)cc2)=NN1c1nc2ccccc2s1,C09972228_decoy,ITAL,Decoy,0,-10.2765,-6.5,-4.19,-6.393197596557512
O=C(C1=C([O-])C(=O)N(c2cccc(C(F)(F)F)c2)[C@H]1c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1,C09357344_decoy,ITAL,Decoy,0,-6.76539,-8.13,-1.86,-6.99275337310487
C/C(=N\NC(=O)CC12CC3CC(CC(C3)C1)C2)c1cc2c(cc1NC(=O)[C@H]1CCCC[C@H]1C(=O)[O-])OCO2,C20158070_decoy,ITAL,Decoy,0,-7.63143,-7.93,-3.2,-5.458305734212667
CC(C)(C)NC(=O)CSC1=C(C#N)[C@H](c2cc(Br)c([O-])c(Br)c2)CC(=O)N1,C09320386_decoy,ITAL,Decoy,0,-9.82462,-7.46,-1.22,-10.31323776547456
COc1cccc(C(=O)C2=C([O-])C(=O)N(c3nc4c(C)cc(C)cc4s3)[C@@H]2c2cccc([N+](=O)[O-])c2)c1,C08894022_decoy,ITAL,Decoy,0,-8.44643,-5.7,-3.62,-5.598420492445034
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@H](C)O4)[C@H]2c2ccccc2F)nc1C,C09357025_decoy,ITAL,Decoy,0,-8.15043,-6.0,-4.05,-6.093122239329606
Cc1ccc(-c2c3c4n(c(-c5ccccc5)cn4c2/C([O-])=N/S(=O)(=O)c2ccc(C)cc2)CCCC3)cc1,C27526147_decoy,ITAL,Decoy,0,-9.17485,-5.34,-3.07,-5.360969571406264
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3ccc(N4CCC(C)CC4)c([N+](=O)[O-])c3)cc2)n1,C30828881_decoy,ITAL,Decoy,0,-6.57856,-6.97,-4.43,-5.535913220948852
CCOc1ccc([C@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC,C33446605_decoy,ITAL,Decoy,0,-8.96199,-8.26,-3.83,-8.96804599519832
CCOc1ccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2c2cc(C)on2)cc1OC,C33446608_decoy,ITAL,Decoy,0,-8.32411,-9.12,-2.68,-9.746010875751278
COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)C(C#N)=C([S-])N2c2ccc(C(C)C)cc2)cc1,C33786966_decoy,ITAL,Decoy,0,-9.49784,-4.91,-2.65,-6.183312691904498
Cc1nc(C)c(C(=O)C2=C([O-])C(=O)N(c3nccs3)[C@@H]2c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)s1,C35565993_decoy,ITAL,Decoy,0,-8.21666,-5.16,-3.13,-5.593135444827785
C#CCOc1c(Br)cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3)N(CC)C2=O)cc1OC,C35656410_decoy,ITAL,Decoy,0,-8.05381,-6.57,-2.23,-8.50631191466353
COc1ccc(-n2nc(Cc3ccc(F)cc3)c(/C=C3\NC(=O)N(Cc4cccc(F)c4)C3=O)c2[O-])cc1,C35829486_decoy,ITAL,Decoy,0,-7.46708,-8.69,-3.06,-7.72635791010903
O=C(NC1CCCCC1)[C@@H](C1CCCCC1)N(C(=O)c1cc([N+](=O)[O-])ccc1[O-])c1ccccc1Cl,C36544607_decoy,ITAL,Decoy,0,-8.41467,-9.39,-1.92,-9.27503693409077
O=C(Cn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=S)N=C2[O-])c2ccccc21)Nc1ccccc1,C02942836_decoy,ITAL,Decoy,0,-9.30122,-7.79,-2.67,-8.975232021718819
Cc1ccc(N2C(=O)/C(=C\c3cc(-c4ccccc4)n(-c4ccccc4)c3-c3ccccc3)C(=O)N=C2[O-])cc1,C36559474_decoy,ITAL,Decoy,0,-8.06494,-6.18,,99.0
C[C@@]12C=C/C(=N\OCC(=O)NCC3CCC(C(=O)[O-])CC3)C=C1CC[C@H]1[C@@H]2CC[C@]2(C)[C@H]1CC[C@@]2(C)O,C37242914_decoy,ITAL,Decoy,0,-8.94385,-6.85,-3.94,-6.084634225655661
CCOc1cccc([C@H]2C(C(=O)c3c(C)nc4ccccn34)=C([O-])C(=O)N2c2nc(C)c(C(C)=O)s2)c1,C33813948_decoy,ITAL,Decoy,0,-8.58379,-7.68,-1.65,-7.807888433888822
CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3ccc4c(c3)C[C@@H](C)O4)[C@@H]2c2ccc(O)cc2)nc1C,C38255841_decoy,ITAL,Decoy,0,-9.53865,-5.72,-2.77,-7.110728225886023
COc1cc([C@H](C2=C(C)N=N[C@@H]2O)c2c(C)n[nH]c2[O-])ccc1OC(=O)c1cccc(Br)c1,C39011832_decoy,ITAL,Decoy,0,-8.33701,-8.15,-3.33,-8.10502623566828
Cc1ccc([C@H]2C(C(=O)c3ccccc3)=C([O-])C(=O)N2c2nnc(SCc3ccccc3F)s2)cc1,C39835274_decoy,ITAL,Decoy,0,-9.11555,-9.44,-2.29,-8.78023446764439
O=C1NC(=O)c2cc(S(=O)(=O)[N-]c3ccc(Oc4ccc(Cl)cc4Cl)cc3)cc3cccc1c23,C41124689_decoy,ITAL,Decoy,0,-8.46405,-7.84,-2.83,-6.344187674653635
C#C[C@]1(O)CC[C@@H]2[C@H]3CCC4=C/C(=N\OCC(=O)N[C@@H](C(=O)[O-])c5ccccc5)CC[C@@]4(C)[C@H]3CC[C@]21C,C43736727_decoy,ITAL,Decoy,0,-8.47042,-6.52,-3.22,-7.903467381235456
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,ITAL,Decoy,0,-8.71659,-7.44,-3.65,-6.727853773905774
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,C43740139_decoy,ITAL,Decoy,0,-8.05794,-6.51,-2.83,-8.138813464350624
Cc1nc2c(oc3nc(-c4ccoc4)c4c(c32)CC(C)(C)OC4)c(-c2ccc(Br)cc2)c1C(=O)[O-],C00718985_decoy,ITAL,Decoy,0,-8.24622,-4.87,-3.93,-4.80674069198793
COC(=O)c1ccc([C@H]2C(C(=O)c3ccc(OC)cc3)=C([O-])C(=O)N2c2ccc(C)c(Br)c2)cc1,C00720347_decoy,ITAL,Decoy,0,-7.85023,-7.64,-2.26,-8.173792618401848
C[C@H](C(=O)Oc1ccc([C@H]2C3=C(N=C4C2=C([O-])N(C)C(=O)N4C)c2ccccc2C3=O)cc1)N1C(=O)c2ccccc2C1=O,C01261883_decoy,ITAL,Decoy,0,-8.91575,-10.4,-2.11,-8.047171964632547
CCOC(=O)c1ccc([N-]C2=Nc3ccccc3N3C2=Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2cccs2)cc1,C01817656_decoy,ITAL,Decoy,0,-9.2496,-5.89,-2.07,-6.2536699896727646
Cc1nn(-c2ccccc2)c2c1[C@H](c1cccs1)N1C(=N2)C([N-]c2ccc(Cl)c(Cl)c2)=Nc2ccccc21,C01870523_decoy,ITAL,Decoy,0,-8.4265,-5.44,-2.84,-5.09489276692768
CCOc1ccc(-c2nnc([S-])n2N/N=C/c2cc(Br)cc(Br)c2O)cc1,C16807939_decoy,ITAL,Decoy,0,-8.99096,-9.06,-2.53,-13.070270657937112
CC1(C)CC(=O)C2=C(C1)Nc1nc(SCc3ccccc3Cl)nc([O-])c1[C@@H]2c1ccccc1[N+](=O)[O-],C00959795_decoy,ITAL,Decoy,0,-8.15799,-6.73,-4.57,-6.917048794428766
CCOc1ccc(N2C(=O)/C(=C/c3cc(C)n(-c4cccc(C(F)(F)F)c4)c3C)C([O-])=NC2=S)cc1,C59137607_decoy,ITAL,Decoy,0,-8.58104,-10.11,-2.4,-12.144266849404662
Cc1ccc(NC(=O)Cn2cc(/C=C3/C(=O)N(c4ccccc4F)C(=S)N=C3[O-])c3ccccc32)cc1,C59139142_decoy,ITAL,Decoy,0,-7.83146,-8.8,-2.56,-6.942311678718789
CCO/C([O-])=C1\C(=O)/C(=C/c2cc(C)n(-c3cccc(C(=O)OC)c3)c2C)S\C1=N/c1ccc(C)cc1,C59366119_decoy,ITAL,Decoy,0,-7.43945,-5.76,-1.63,-6.442146913749203
O=C([O-])COc1ccc(/C=c2/sc3n(c2=O)[C@H](c2ccc(F)cc2)C2=C(N=3)c3ccccc3CC2)cc1,C59567814_decoy,ITAL,Decoy,0,-8.91662,-9.09,-2.87,-8.802118179377878
C[C@H](O)c1ccc(/N=C(\[O-])C2=C(Br)C3=N[C@H](c4cccs4)C[C@@H](C(F)(F)F)N3N2)cc1,C13387849_decoy,ITAL,Decoy,0,-8.04328,-8.29,-0.82,-8.654318363174102
CN(C)c1ccc(N2C(=O)c3cccc4c(Nc5ccc(O)c(C(=O)[O-])c5)c([N+](=O)[O-])cc(c34)C2=O)cc1,C59859113_decoy,ITAL,Decoy,0,-6.79614,-6.07,-2.85,-5.130850782686151
CCOc1ccc(/C=C2/C(=O)N(c3ccc(C45CC6CC(CC(C6)C4)C5)cc3)C(=O)N=C2[O-])cc1OCC,C59861460_decoy,ITAL,Decoy,0,-7.9922,-8.13,-2.59,-6.900248287077019
C[C@@H]1CCCCCCCCCC/C1=N\[N-]C1=NC(=O)[C@H](CC(=O)Nc2nc(-c3ccccc3)cs2)S1,C22506391_decoy,ITAL,Decoy,0,-9.75371,-7.99,-2.86,-7.541213424822803
CC(=O)Nc1ccc(Nc2nc3ccccc3nc2[N-]S(=O)(=O)c2ccc(Cl)c([N+](=O)[O-])c2)cc1,C12659831_decoy,ITAL,Decoy,0,-7.19812,-6.33,-3.31,-5.798642703690556
CN(C)c1ccc([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)cc1,C39730510_decoy,ITAL,Decoy,0,-9.12602,-5.48,-1.61,-7.204621937407444
CCOc1ccc([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCc4ccccc4Cl)=NC(=O)[C@H]32)cc1,C39730551_decoy,ITAL,Decoy,0,-9.66448,-5.44,-1.65,-6.402430818590761
Cc1ccc([C@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCC(=O)NCc4ccccc4)=NC(=O)[C@H]32)cc1,C63447974_decoy,ITAL,Decoy,0,-9.77994,-6.58,-2.06,-7.898957672906612
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@H]3C)N=C3CC(C)(C)CC([O-])=C32)cc1,C13175294_decoy,ITAL,Decoy,0,-9.72993,-9.69,-3.33,-8.318008209401032
COc1ccc(/C=C2/C(=O)N=C([O-])N(c3ccc(Cl)cc3)C2=O)cc1COc1ccc(NC(C)=O)cc1,C09339713_decoy,ITAL,Decoy,0,-7.49141,-5.65,-2.28,-5.279150114368284
CCCCCN1C([O-])=C(C(=O)/N=c2\[nH]c(-c3ccc(Br)cc3)cs2)[C@H](O)c2ccccc21,C64137011_decoy,ITAL,Decoy,0,-9.50753,-5.47,-2.46,-5.923603326901967
COc1ccc(-n2c(C)cc(/C=C3/C(=O)N(c4cccc(C)c4C)C(=O)N=C3[O-])c2C)c([N+](=O)[O-])c1,C01157236_decoy,ITAL,Decoy,0,-7.26683,-8.23,-1.38,-6.353423015354871
Cc1c(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2ccc([N+](=O)[O-])cc2)c(=O)n(-c2ccccc2)n1C,C08921526_decoy,ITAL,Decoy,0,-7.54568,-6.11,-1.4,-5.693593913392757
Cc1cc(C)c(N2C(=O)N=C([O-])[C@@]3(Cc4cc([N+](=O)[O-])ccc4N4C[C@H](C)O[C@H](C)[C@H]43)C2=O)c(C)c1,C16995047_decoy,ITAL,Decoy,0,-7.07806,-5.05,-1.65,-4.336057417576106
COc1c(C)cc(Br)cc1C(=O)Nc1ccc(S(=O)(=O)[N-]c2nc(C)cc(C)n2)cc1,C20975831_decoy,ITAL,Decoy,0,-8.77832,-8.72,-1.8,-10.625784760211154
COc1ccc(C(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4cccc(Cl)c4)c3n2)c(OC)c1,C21112065_decoy,ITAL,Decoy,0,-8.22246,-5.19,-2.58,-5.524685278173712
Cc1cc(NC(=O)c2cccc(Br)c2)n(-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)n1,C21112958_decoy,ITAL,Decoy,0,-6.83144,-6.07,-3.15,-5.197337238816041
Cc1cc(NC(=O)c2cc(=O)c3ccccc3o2)n(-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)n1,C21113607_decoy,ITAL,Decoy,0,-6.83668,-5.69,,99.0
C=CCn1c([S-])nnc1-c1sc(NC(=O)c2sc3nc(C(C)(C)C)nc(C)c3c2C)nc1C,C22972936_decoy,ITAL,Decoy,0,-9.22758,-5.17,,99.0
O=C(N/N=C/c1ccc(-c2ccc(Br)cc2)o1)/C([O-])=N/c1nnc(-c2ccccc2)s1,C25584337_decoy,ITAL,Decoy,0,-7.6791,-6.09,-3.09,-5.859954647915602
C/C([O-])=C1/C(=O)c2c(cccc2[N+](=O)[O-])/C1=N\c1ccc(S(=O)(=O)Nc2nc(C)cc(C)n2)cc1,C16134266_decoy,ITAL,Decoy,0,-6.8754,-5.69,-2.03,-5.202320208418534
O=C1N/C(=C\c2c(-c3ccccc3)nn(-c3ccc([N+](=O)[O-])cc3)c2[O-])C(=O)N1Cc1ccccc1F,C35455773_decoy,ITAL,Decoy,0,-7.56169,-8.15,-2.72,-6.94503614672127
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3nc4c(C)cccn4c3C)[C@H]2c2ccccc2F)nc1C,C35483783_decoy,ITAL,Decoy,0,-7.96891,-7.07,-2.15,-7.889473604622327
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cccc3ccccc23)nc1C,C35565798_decoy,ITAL,Decoy,0,-9.60406,-7.88,-2.18,-8.176725456240733
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@@H]2c2cc(C)c(O)c(C)c2)nc1C,C35565804_decoy,ITAL,Decoy,0,-9.64274,-7.6,-2.65,-8.737815987599502
CCOC(=O)[C@@H]1CCN2c3ccc([N+](=O)[O-])cc3C[C@@]3(C(=O)N(c4ccc(OC)cc4)C(=O)N=C3[O-])[C@@H]2C1,C09234625_decoy,ITAL,Decoy,0,-7.76215,-5.02,-1.54,-5.424363957598648
Cc1ccc(-c2cc(C(=O)Nc3ccc(S(=O)(=O)[N-]c4onc(C)c4C)cc3)c3ccccc3n2)cc1,C03214460_decoy,ITAL,Decoy,0,-9.0862,-9.08,-3.27,-7.636847095836789
O=[N+]([O-])c1cccc(S(=O)(=O)[N-]c2ccc3c(c2)N(S(=O)(=O)c2ccc(F)cc2)CCC3)c1,C36646874_decoy,ITAL,Decoy,0,-7.7142,-9.38,-2.26,-7.646329321543182
CS[C@@H]1CC(=O)c2c(c3nc4cccc(S(=O)(=O)C(C)C)c4cc3c(=O)n2-c2ccccc2[O-])N1,C39453075_decoy,ITAL,Decoy,0,-8.49474,-4.91,-2.35,-4.787352529408676
COc1ccc(C(=O)Nc2cc(C)nn2-c2nc([O-])c3cnn(-c4ccc(C)c(C)c4)c3n2)cc1OC,C17053543_decoy,ITAL,Decoy,0,-6.98144,-6.2,-2.4,-5.92927892294237
Cc1cc(NC(=O)COc2ccccc2F)n(-c2nc([O-])c3cnn(-c4ccc(C)c(C)c4)c3n2)n1,C17053508_decoy,ITAL,Decoy,0,-8.55224,-5.27,,99.0
CC1=C2C(=O)N=C(CSc3nnc(Nc4c(C)cc(C)cc4Cl)s3)N=C2S[C@@H]1C(=O)[O-],C39693161_decoy,ITAL,Decoy,0,-8.34746,-8.26,-2.81,-6.775861628756052
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(CCC(=O)[O-])C2=O)c1C,C39836078_decoy,ITAL,Decoy,0,-7.88132,-8.55,-2.79,-7.581005534592398
COC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4c(C)cccn34)[C@H]2c2ccccc2)nc1C,C40003245_decoy,ITAL,Decoy,0,-7.85982,-6.15,-3.77,-5.953393095026952
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3c(C)nc4c(C)cccn34)[C@H]2c2cccc(O)c2)nc1C,C40003357_decoy,ITAL,Decoy,0,-8.01793,-8.68,-1.22,-7.747043597608989
C=CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2[C@H]2CCS(=O)(=O)C2)c1,C40548293_decoy,ITAL,Decoy,0,-9.87297,-4.66,-2.9,-5.975714798366768
CCOc1cccc([C@@H]2c3c(n[nH]c3-c3cc(Cl)ccc3[O-])C(=O)N2[C@H]2CCS(=O)(=O)C2)c1,C40548307_decoy,ITAL,Decoy,0,-8.16272,-5.46,-1.84,-4.4957388652146495
CS(=O)(=O)c1ccc2nc(/N=C([O-])/C(C#N)=C/c3cccn3-c3cccc([N+](=O)[O-])c3)sc2c1,C41074213_decoy,ITAL,Decoy,0,-8.43688,-8.57,,99.0
Cc1c(C(=O)[O-])sc2nc(CSc3nnc(-c4ccncc4)n3-c3ccc(F)cc3)[nH]c(=O)c12,C13407719_decoy,ITAL,Decoy,0,-9.34255,-9.07,-3.11,-9.084491352016611
Cc1ccccc1-n1c(SCc2cc(=O)[nH]c3sc(C(=O)[O-])c(C)c23)nnc1-c1ccncc1,C13413864_decoy,ITAL,Decoy,0,-8.74118,-9.15,-3.91,-8.41339118534898
Cc1c(C(=O)[O-])sc2nc(CSc3nc4sc5c(c4c(=O)n3C(C)C)CCC5)[nH]c(=O)c12,C13352654_decoy,ITAL,Decoy,0,-8.44005,-4.86,-2.15,-4.935984937638068
CC(C)c1ccc(N2C(=O)N=C([O-])/C(=C/c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C2=O)cc1,C18270924_decoy,ITAL,Decoy,0,-7.7416,-8.32,-2.95,-6.505177809405926
CCOc1cc([C@@H]2c3sc([S-])nc3S[C@H]3C(=O)N(c4ccc([N+](=O)[O-])cc4)C(=O)[C@H]23)ccc1O,C40475535_decoy,ITAL,Decoy,0,-8.03774,-4.9,-1.62,-4.955014563093677
COc1ccc(S(=O)(=O)/N=C2/N=C([O-])/C(=C3/C(=O)Nc4ccc(Br)cc43)S2)cc1,C13388810_decoy,ITAL,Decoy,0,-7.69209,-5.89,-2.25,-4.822688928389499
O=C1/C(=C/c2ccc(Oc3ccc([N+](=O)[O-])cc3[N+](=O)[O-])cc2)C([O-])=NC(=S)N1c1ccccc1F,C59135709_decoy,ITAL,Decoy,0,-7.52419,-9.02,-2.12,-6.906225163607329
CCO/C([O-])=C1\C(=O)/C(=C/c2cc(C)n(-c3cccc([N+](=O)[O-])c3)c2C)S\C1=N/c1ccc(C)cc1,C59364630_decoy,ITAL,Decoy,0,-7.31828,-7.31,-2.38,-5.772276341173088
COc1ccc(N2C(=O)N=C([O-])/C(=C/c3ccccc3OS(=O)(=O)c3ccc(C)cc3)C2=O)cc1,C59447439_decoy,ITAL,Decoy,0,-6.87185,-9.91,-2.48,-8.123951438462957
CN(C)c1ccc([N+](=O)[O-])cc1/C=C1\C(=O)N(c2ccc(C34CC5CC(CC(C5)C3)C4)cc2)C(=O)N=C1[O-],C59860155_decoy,ITAL,Decoy,0,-6.43754,-5.53,-4.13,-3.794267122862186
CC1(C)CC2=NC3=NC(SCc4ccccc4)=NC(=O)[C@H]3[C@H](c3cccc([N+](=O)[O-])c3)C2=C([O-])C1,C39730183_decoy,ITAL,Decoy,0,-9.14658,-6.44,-1.95,-6.9262456612906815
CC1(C)CC2=NC3=NC(SCc4ccccc4)=NC(=O)[C@H]3[C@H](c3ccc([N+](=O)[O-])cc3)C2=C([O-])C1,C39730193_decoy,ITAL,Decoy,0,-10.2818,-9.11,-1.6,-12.68385692531602
O=C1N=C(SCc2ccccc2Cl)N=C2N=C3CCCC([O-])=C3[C@H](c3ccc([N+](=O)[O-])cc3)[C@H]12,C39731568_decoy,ITAL,Decoy,0,-8.0157,-9.21,-2.18,-11.401681560326974
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@@H](c3ccc(Cl)cc3)[C@@H]12,C39749152_decoy,ITAL,Decoy,0,-9.13105,-9.22,-2.56,-8.5878658042016
O=C1N=C(SCc2ccc([N+](=O)[O-])cc2)N=C2N=C3CCCC([O-])=C3[C@H](c3ccc(Cl)cc3)[C@H]12,C39749158_decoy,ITAL,Decoy,0,-8.65013,-5.43,-3.81,-6.23256301609586
CC1(C)CC2=NC3=NC(SCc4ccc([N+](=O)[O-])cc4)=NC(=O)[C@@H]3[C@@H](c3ccccc3)C2=C([O-])C1,C39749351_decoy,ITAL,Decoy,0,-8.62102,-8.26,,99.0
COc1cccc([C@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCc4ccc([N+](=O)[O-])cc4)=NC(=O)[C@@H]32)c1,C39749411_decoy,ITAL,Decoy,0,-7.26798,-5.76,-3.06,-5.541367495635205
COc1cccc([C@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCc4ccc([N+](=O)[O-])cc4)=NC(=O)[C@H]32)c1,C39749415_decoy,ITAL,Decoy,0,-8.53023,-5.1,-3.96,-6.01607837309342
COc1ccc([C@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCc4cccc([N+](=O)[O-])c4)=NC(=O)[C@@H]32)cc1,C63448038_decoy,ITAL,Decoy,0,-7.12023,-5.18,-3.1,-5.125398268293682
CCc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccc([N+](=O)[O-])cc4)c4ccccc34)C(=O)N=C2[O-])cc1,C20263757_decoy,ITAL,Decoy,0,-7.14138,-6.25,-2.72,-5.516944113428339
Cc1cc(/C=C2\C(=O)N=C([O-])N(Cc3cccs3)C2=O)c(C)n1-c1ccc(N2CCCC2)c([N+](=O)[O-])c1,C09543177_decoy,ITAL,Decoy,0,-6.34031,-6.92,-2.39,-5.693623137293088
COC(=O)c1ccc(-n2c(-c3ccccc3)cc(/C=C3/C(=O)NC(=O)N=C3[O-])c2-c2ccccc2)cc1,C08997364_decoy,ITAL,Decoy,0,-9.78645,-9.47,-2.7,-12.962392894580354
O=C1N=C([O-])/C(=C/c2ccc(OCc3ccccc3F)c(Cl)c2)C(=O)N1c1cccc([N+](=O)[O-])c1,C32193725_decoy,ITAL,Decoy,0,-6.53799,-8.18,-2.04,-6.123436669239256
O=[N+]([O-])c1cc(Br)cc(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1[O-],C09310320_decoy,ITAL,Decoy,0,-7.11424,-7.43,,99.0
O=[N+]([O-])c1cc(Br)c([O-])c(/C=N/Nc2nc(N3CCCC3)nc(N3CCCC3)n2)c1,C09310734_decoy,ITAL,Decoy,0,-7.70833,-7.51,-1.6,-8.631690704011765
O=C1NC(=O)N(c2cccc(Br)c2)C(=O)/C1=C\c1cccn1-c1ccc(C(=O)[O-])cc1,C09265509_decoy,ITAL,Decoy,0,-7.74344,-6.65,-1.45,-5.468121451407654
CCOc1ccc(NC(=O)/C(C#N)=C\c2cc(I)c([O-])c([N+](=O)[O-])c2)cc1,C09906010_decoy,ITAL,Decoy,0,-8.0358,-5.07,-1.79,-5.631468136261338
Cc1ccc(-c2ccc(/C=C3\SC(=S)N([C@H](C(=O)[O-])c4ccccc4)C3=O)o2)cc1[N+](=O)[O-],C13073943_decoy,ITAL,Decoy,0,-6.90824,-8.39,-2.97,-6.2557503199501685
CC1=C(c2ccc(OCC(=O)[O-])cc2)Nc2nnnn2[C@H]1c1cc(Br)c2c(c1)OCO2,C13077749_decoy,ITAL,Decoy,0,-8.2572,-4.26,-1.19,-5.152900497992615
C[C@H](Oc1ccc(C2=C[C@@H](c3cc4c(cc3Br)OCO4)n3nnnc3N2)cc1)C(=O)[O-],C13077785_decoy,ITAL,Decoy,0,-8.00805,-8.69,-1.03,-13.984394026842695
C[C@@H](Oc1ccc(C2=C[C@H](c3cc4c(cc3Br)OCO4)n3nnnc3N2)cc1)C(=O)[O-],C13077786_decoy,ITAL,Decoy,0,-8.66862,-7.62,-1.35,-10.14600366697887
C=CCn1c(=O)c2ccccc2n2c(SCc3cc(=O)[nH]c4sc(C(=O)[O-])c(C)c34)nnc12,C13253643_decoy,ITAL,Decoy,0,-7.40137,-8.45,-2.38,-7.143182364219576
Cc1ccc(-n2c(C)cc(-c3csc(NC(=O)c4cc(C(=O)[O-])cc([N+](=O)[O-])c4)n3)c2C)cc1,C13411670_decoy,ITAL,Decoy,0,-8.26863,-7.76,-3.85,-6.3987958668411125
O=C([O-])c1cc(S(=O)(=O)Oc2ccc(-c3nnc4n3CCCCC4)cc2)c(Cl)cc1Cl,C13455995_decoy,ITAL,Decoy,0,-8.38818,-8.99,-1.72,-7.85227119850143
O=C([O-])c1ccc([N+](=O)[O-])c(OS(=O)(=O)c2cc(Br)ccc2Br)c1,C13463619_decoy,ITAL,Decoy,0,-7.29541,-7.04,-2.11,-7.343646719396145
[H]/N=C1C(=C\c2ccc(-c3ccc(C(=O)[O-])cc3)o2)/C(=O)N=C2SC(c3ccccc3Cl)=NN2/1,C15224876_decoy1,ITAL,Decoy,0,-8.63602,-5.88,,-5.254679412554512
COc1cc([N+](=O)[O-])ccc1-c1ccc(/C=C2\C(=O)N(c3ccc4c(c3)OCO4)C(=O)N=C2[O-])o1,C19814249_decoy,ITAL,Decoy,0,-7.38091,-8.95,-3.26,-6.889999871692724
O=C1N=C([O-])/C(=C\c2cn(Cc3ccccc3[N+](=O)[O-])c3ccccc23)C(=O)N1Cc1ccccc1,C01162179_decoy,ITAL,Decoy,0,-7.03716,-8.45,-2.35,-8.339936632425001
CCOc1ccc(-c2ccc(/C=C3\C(=O)N(c4ccc(Cl)cc4)C(=O)N=C3[O-])o2)c([N+](=O)[O-])c1,C20238532_decoy,ITAL,Decoy,0,-7.10978,-7.61,-2.84,-7.250922407936786
Cn1c(=O)c2c(-c3ccccc3)n3c(c2n(C)c1=O)[C@@H](c1cc([N+](=O)[O-])ccc1[O-])OCC3(C)C,C20890457_decoy,ITAL,Decoy,0,-6.49588,-5.35,-2.92,-4.371879187496592
Cc1cc(NC(=O)c2ccc(Cl)cc2)n(-c2nc([O-])c3cnn(-c4ccc(Cl)cc4)c3n2)n1,C21112529_decoy,ITAL,Decoy,0,-5.61745,-5.58,-2.49,-3.6164103051681407
C[C@H]1Cc2cc(-c3cc(C(=O)Nc4ccc(S(=O)(=O)[N-]c5nccs5)cc4)no3)ccc2O1,C21786102_decoy,ITAL,Decoy,0,-7.72699,-8.06,-4.22,-8.88222761229456
O=C1N=C([O-])/C(=C/c2ccccc2OCc2ccccc2Cl)C(=O)N1c1cccc([N+](=O)[O-])c1,C16450099_decoy,ITAL,Decoy,0,-8.34579,-10.22,-4.04,-8.858862731506802
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(=O)c4ccc(C)c(C)c4o3)cc2)n1,C08606758_decoy,ITAL,Decoy,0,-7.97647,-7.89,-2.0,-7.119545444791159
CCOc1c2c(n([O-])c1C)-c1nc3ccccc3c(S(=O)(=O)Oc3ccccc3)c1C(=O)CC2,C39457654_decoy,ITAL,Decoy,0,-7.57718,-5.41,-3.15,-5.2509522220942335
Cc1cc(NC(=O)COc2ccc(F)cc2)n(-c2nc([O-])c3cnn(-c4ccc(F)cc4)c3n2)n1,C12444330_decoy,ITAL,Decoy,0,-7.93752,-7.47,-1.92,-7.245853049937957
Cc1cc(NC(=O)COc2ccccc2C)n(-c2nc([O-])c3cnn(-c4cccc(C)c4C)c3n2)n1,C17136063_decoy,ITAL,Decoy,0,-7.08335,-6.94,-2.06,-6.395375480658821
C=CCN1C(=O)C2=C3CCCC[C@H]3SC2=N[C@H]1SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1,C39722303_decoy,ITAL,Decoy,0,-7.97636,-6.04,-1.86,-5.194459772759164
C=CCN1C(=O)C2=C3CCCC[C@@H]3SC2=N[C@@H]1SCc1nc2cc(C(=O)[O-])ccc2c(=O)[nH]1,C39722304_decoy,ITAL,Decoy,0,-8.16447,-4.87,-2.3,-4.257248256308677
CCC1=C(C)S[C@H]2N=C(SCc3nc4sc(C(=O)[O-])c(C)c4c(=O)[nH]3)N(CC)C(=O)[C@@H]12,C39724245_decoy,ITAL,Decoy,0,-8.71569,-7.13,-2.69,-7.54031884684896
Cc1cccc(/N=C2/S/C(=C3\C(=O)N(CC(=O)[O-])c4ccccc43)C(=O)N2C2CCCCC2)n1,C39863670_decoy,ITAL,Decoy,0,-7.9851,-8.5,-2.59,-6.82780253336405
CCn1c([O-])c(/N=N/c2c(Br)cc([N+](=O)[O-])cc2Br)c(C)c(C#N)c1=O,C39871594_decoy,ITAL,Decoy,0,-7.57354,-4.33,-2.68,-4.475616917849633
Cc1ccc(-c2nnc([S-])n2CC(=O)N(C)CC(=O)N2c3ccccc3NC(=O)C[C@H]2C)cc1,C12890698_decoy,ITAL,Decoy,0,-6.97793,-8.9,-4.13,-9.022786302256565
Cc1ccc(C)c(S(=O)(=O)N2CCCc3cc(S(=O)(=O)[N-]c4nnc(C)s4)ccc32)c1,C40176106_decoy,ITAL,Decoy,0,-7.86478,-9.02,-3.11,-11.27996593563569
CC[C@@H]1CCc2sc(-c3nnc(SCc4nc5oc(C)c(C(=O)[O-])c5c(=O)[nH]4)n3C)cc2C1,C13408622_decoy,ITAL,Decoy,0,-6.99568,-7.52,-3.99,-5.630842734144211
CC[C@H]1CCc2sc(-c3nnc(SCc4nc5oc(C)c(C(=O)[O-])c5c(=O)[nH]4)n3C)cc2C1,C13408626_decoy,ITAL,Decoy,0,-6.89725,-7.6,-3.26,-6.330685204530079
Cc1cc(C)nc(N/C(=N/C(=O)c2cc([N+](=O)[O-])ccc2Cl)[N-]c2ccc(F)c(Cl)c2)n1,C09424138_decoy,ITAL,Decoy,0,-7.52096,-7.35,-1.72,-6.998141570187308
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(-c4nnc([S-])n4C[C@@H]4CCCO4)c3N2)cc1,C08782516_decoy,ITAL,Decoy,0,-8.04929,-5.29,-2.59,-5.702165637880746
COc1ccc(-n2c([S-])nnc2-c2cnn3c2N[C@H](c2ccccc2)C[C@@H]3C(F)F)c(OC)c1,C02791488_decoy,ITAL,Decoy,0,-8.40494,-4.45,-3.0,-4.960930531947422
COc1ccc([C@@H]2C[C@@H](C(F)(F)F)n3ncc(-c4nnc([S-])n4Cc4ccco4)c3N2)cc1,C02792000_decoy,ITAL,Decoy,0,-8.37418,-5.75,-4.42,-5.620291680252271
Cc1cccc(N2C(=O)/C(=C/c3cn(CC(=O)Nc4ccccc4)c4ccccc34)C(=O)N=C2[O-])c1,C08997420_decoy,ITAL,Decoy,0,-8.25685,-8.0,-1.6,-6.665268196254912
O=C1/C(=C/c2ccc(OCc3ccc([N+](=O)[O-])cc3)cc2)C([O-])=NC(=S)N1c1ccccc1F,C59135719_decoy,ITAL,Decoy,0,-7.77363,-8.44,-3.08,-6.809679252978924
Cn1c2nc(Sc3nnc(-c4cccc([N+](=O)[O-])c4)n3-c3ccccc3)nc-2c([O-])n(C)c1=O,C59265238_decoy,ITAL,Decoy,0,-8.16857,-4.68,-1.18,-5.576448265729575
Cc1ccc(N2C(=O)N=C([O-])/C(=C/c3cccc(OS(=O)(=O)c4ccc(C)cc4)c3)C2=O)cc1,C59536549_decoy,ITAL,Decoy,0,-7.0699,-8.69,-2.3,-7.979877002704851
CC1(c2ccccc2)OC(=O)C(=Cc2cc(I)c([O-])c([N+](=O)[O-])c2)C(=O)O1,C59567270_decoy,ITAL,Decoy,0,-7.56497,-7.97,-1.48,-10.861760639128324
Cn1c2nc(Sc3nnc(-c4ccc([N+](=O)[O-])cc4)n3-c3ccccc3)nc-2c([O-])n(C)c1=O,C59791440_decoy,ITAL,Decoy,0,-7.35179,-5.2,-1.47,-5.28897624239722
[H]/N=C1C(=C/c2ccc(-c3cccc(C(=O)[O-])c3)o2)/C(=O)N=C2SC(CCC3CCCCC3)=NN2/1,C09210026_decoy,ITAL,Decoy,0,-7.14169,-7.08,-1.47,-4.342839411719755
COc1ccc(S(=O)(=O)[N-]c2nc3ccc(C(=O)NC4=CC5=CC=N[C@H]5C=C4)cc3s2)cc1,C39980442_decoy,ITAL,Decoy,0,-9.0536,-5.92,-2.5,-7.420366089264535
Cc1ccc(S(=O)(=O)[N-]c2nc3c(C)cc(NC(=O)[C@H]4N=NC5=C4CCCC5)cc3s2)cc1,C63600858_decoy,ITAL,Decoy,0,-8.70397,-6.25,-2.75,-5.949078026106252
O=C(Cn1cc(/C=C2\C(=O)N=C([O-])N(c3cccc(F)c3)C2=O)c2ccccc21)Nc1ccccc1,C08738499_decoy,ITAL,Decoy,0,-7.97648,-9.46,-4.69,-7.506578529641831
COc1ccc([C@H]2c3c(-c4ccc(Br)cc4)nnc([O-])c3Nc3nnnn32)c(OC)c1,C10294890_decoy,ITAL,Decoy,0,-7.48028,-5.57,-1.97,-5.452508432041783
Cc1ccc(S(=O)(=O)N2CCC(c3nc(-c4ccc([N-]S(C)(=O)=O)cc4)no3)CC2)cc1,C65010371_decoy,ITAL,Decoy,0,-9.12729,-8.5,-2.6,-9.399446611646686
[H]/N=C1C(=C/c2ccc(-c3ccc(C(=O)[O-])cc3)o2)\C(=O)N=C2SC(c3ccccc3Cl)=NN2\1,C15224876_decoy2,ITAL,Decoy,0,-8.59407,-7.8,,-6.237022925385824
O=C1N/C(=N\c2cccc(Br)c2)S/C1=C\c1cc(Br)c([O-])c([N+](=O)[O-])c1,C09720892_decoy,ITAL,Decoy,0,-7.85252,-8.27,-4.73,-7.873631762334809
Cc1ccc(C)c(-n2c(=O)c3ccccc3n3c(SCC(=O)Nc4ccccc4C(=O)[O-])nnc23)c1,C13265773_decoy,ITAL,Decoy,0,-8.16921,-7.44,-2.6,-7.803137402818791
Cc1csc2nc(CSc3nc4cc(C(=O)[O-])ccc4c(=O)n3-c3ccc(F)cc3)cc(=O)n12,C13280157_decoy,ITAL,Decoy,0,-8.47282,-6.77,-2.09,-6.5952376722853705
C[C@H]1CCCCN1S(=O)(=O)c1ccc(Br)c(C(=O)Nc2cc(F)ccc2C(=O)[O-])c1,C13304857_decoy,ITAL,Decoy,0,-8.11262,-7.7,-1.93,-7.534126374537207
Cc1ccc(C)c(-n2c(SCC(=O)Nc3ccc(C(=O)[O-])cc3)nc3sc(C)c(C)c3c2=O)c1,C13346844_decoy,ITAL,Decoy,0,-8.21198,-6.76,-1.57,-6.4028004643361305
Cc1cccc(-n2c(SCC(=O)Nc3ccc(C(=O)[O-])cc3)nc3sc(C)c(C)c3c2=O)c1C,C13355455_decoy,ITAL,Decoy,0,-8.97153,-5.1,-1.73,-6.060463194899127
O=[N+]([O-])c1ccc([O-])c(/C=N/c2ccc3cc4ccc(/N=C/c5cc([N+](=O)[O-])ccc5[O-])cc4[nH+]c3c2)c1,C12576410_decoy,ITAL,Decoy,0,-6.70294,-8.32,-4.38,-5.984836589204599
O=C1/C(=N\S(=O)(=O)c2cccs2)C(N2CCN(/C=C/c3ccccc3)CC2)=C([O-])c2ccccc21,C19891187_decoy,ITAL,Decoy,0,-8.77755,-5.74,-2.81,-6.331851875276121
COc1ccc2oc(=O)c(C(=O)N/N=C/c3cc(Br)cc(Br)c3[O-])cc2c1,C20074745_decoy,ITAL,Decoy,0,-9.30554,-4.24,-1.84,-5.297205993301754
COc1ccc(-n2c([S-])nc3cc(C(=O)Nc4ccc(Oc5ccccc5)cc4)ccc3c2=O)cc1,C03632395_decoy,ITAL,Decoy,0,-8.35576,-5.02,-3.34,-4.864707621047655
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(NC(=O)c3cc(Br)ccc3Cl)cc2)n1,C20974304_decoy,ITAL,Decoy,0,-7.65915,-4.85,-2.04,-4.5947457090271
Cc1c(C(=O)Nc2cc(-c3cccs3)nn2-c2nc([O-])cc(-c3ccccc3)n2)cccc1[N+](=O)[O-],C11855278_decoy,ITAL,Decoy,0,-6.35105,-6.67,-3.97,-5.467956470681619
O=C(Nc1ccc(S(=O)(=O)[N-]c2cc(Cl)cc(Cl)c2)cc1)c1ccc(Cl)c([N+](=O)[O-])c1,C21305742_decoy,ITAL,Decoy,0,-8.82764,-7.98,-2.23,-10.39070220041582
O=C1Sc2c(S(=O)(=O)[N-]c3ccccc3)cc(S(=O)(=O)Nc3ccccc3)c3cccc1c23,C28463409_decoy,ITAL,Decoy,0,-8.35294,-7.37,-4.67,-7.553725919576389
Cc1cccn2c(C)c(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@H]3c3ccc(Cl)c(Cl)c3)nc12,C35484560_decoy,ITAL,Decoy,0,-8.79659,-7.72,-2.15,-7.630769830719635
Cc1cccn2c(C)c(C(=O)C3=C([O-])C(=O)N(Cc4cccnc4)[C@H]3c3ccc(C(C)(C)C)cc3)nc12,C35484570_decoy,ITAL,Decoy,0,-7.8255,-4.65,-2.78,-5.309079469422412
CC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@H]2c2cccc3ccccc23)nc1C,C35566099_decoy,ITAL,Decoy,0,-8.66517,-8.0,-2.43,-7.795375227625832
C#CCOc1c(Br)cc(/C=C2\S/C(=N\c3cccc(C(=O)[O-])c3)N(C)C2=O)cc1OC,C35656870_decoy,ITAL,Decoy,0,-7.95027,-6.96,-2.28,-7.620749666255913
Cc1cc(N2C(=O)C([O-])=C(C(=O)c3ccc(OC(C)C)cc3)[C@@H]2c2ccc(Br)cc2)no1,C08894814_decoy,ITAL,Decoy,0,-8.93352,-9.29,-1.63,-13.10403157539055
Cc1cc(OCCn2cc(/C=C3/C(=O)N=C([O-])N(c4ccc(F)cc4)C3=O)c3ccccc32)ccc1Cl,C36558959_decoy,ITAL,Decoy,0,-8.59311,-8.53,-3.12,-7.3557963485098385
COc1ccc2c(c1)-c1c(ssc1=S)C(C)(C)N2C(=O)CSC1=NNC(C)(C)C([O-])=N1,C08951321_decoy,ITAL,Decoy,0,-8.58155,-7.8,-1.47,-10.46826606593427
COc1ccc([C@H]2C(C(C)=O)=C([O-])C(=O)N2c2nn(Cc3cccc(C)c3)cc2Br)cc1,C36612386_decoy,ITAL,Decoy,0,-7.61995,-5.65,-1.54,-5.967910472277927
C=CCn1c([S-])nc2cc(C(=O)Nc3cccc(C#Cc4cccc(C(=O)OC)c4)c3)ccc2c1=O,C36705679_decoy,ITAL,Decoy,0,-7.90988,-6.51,-2.69,-5.75906926969217
C[C@@H]1c2ccccc2Cn2cc3c(c21)C(=O)c1cccc(O[P@@](=O)([O-])OCc2ccccc2)c1C3=O,C03954654_decoy,ITAL,Decoy,0,-7.86336,-9.61,,99.0
Cc1nc2ccccn2c1C(=O)C1=C([O-])C(=O)N(c2nccs2)[C@H]1c1cccc(Br)c1,C33813849_decoy,ITAL,Decoy,0,-8.22798,-4.75,-1.84,-4.942317539984955
COc1ccc(F)cc1S(=O)(=O)[N-]c1cccc(S(=O)(=O)N2C[C@@]3(C)C[C@@H]2CC(C)(C)C3)c1,C04022978_decoy,ITAL,Decoy,0,-7.94083,-7.7,,99.0
CC(C)S(=O)(=O)c1cc2c([O-])n3c(nc-2cc1=O)-c1c(c2ccccc2n1-c1ccccc1O)CC3,C39541923_decoy,ITAL,Decoy,0,-9.28738,-5.32,-2.37,-5.628366245418597
Cc1cc(NC(=O)COc2ccccc2F)n(-c2nc([O-])c3cnn(-c4ccc(Cl)cc4)c3n2)n1,C17011699_decoy,ITAL,Decoy,0,-8.48902,-8.92,-2.86,-8.234685546574637
C[C@@H]1CCCC[C@H]1N([C@@H]1N=NC(=S)S1)S(=O)(=O)c1ccc(Br)c(C(=O)[O-])c1,C39679928_decoy,ITAL,Decoy,0,-9.4533,-6.18,-2.32,-8.633188816700024
O=C([O-])c1ccc2c(=O)[nH]c(CS[C@H]3N=N[C@H]4N(c5ccccc5)C(=O)c5ccccc5N34)nc2c1,C39722341_decoy,ITAL,Decoy,0,-7.38924,-9.37,-4.27,-7.603577905171462
CCOC(=O)CN1C(=O)[C@H]2[C@@H]3C[C@H]([C@@H]2C1=O)[C@H]1[C@H](c2ccc(O)cc2)c2sc([S-])nc2S[C@H]31,C39886391_decoy,ITAL,Decoy,0,-9.85845,-5.18,-3.06,-6.1486695372120375
COc1ccc(-c2nn(-c3ccccc3)cc2[C@H]2NC(=O)C(C#N)=C([S-])N2c2ccc(C)cc2)cc1,C39887142_decoy,ITAL,Decoy,0,-8.15256,-5.22,-3.35,-5.51611508136577
CCOc1ccc(N2C([S-])=C(C#N)C(=O)N[C@H]2c2cn(-c3ccccc3)nc2-c2ccccc2)cc1,C39887663_decoy,ITAL,Decoy,0,-8.7022,-5.63,-1.83,-5.866789309254754
CSc1nnc(/N=C([O-])/C(C#N)=C/c2cn(-c3ccccc3)nc2-c2ccc3ccccc3c2)s1,C39997993_decoy,ITAL,Decoy,0,-8.0733,-6.48,-3.5,-5.842029331349821
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(C)o3)[C@@H]2c2cccc(Br)c2)s1,C39999579_decoy,ITAL,Decoy,0,-9.29906,-4.27,-2.15,-5.507807456245717
CC(=O)N(c1nc(/C=C2/CCn3c2nc2cc(C(=O)[O-])ccc2c3=O)cs1)c1ccc(F)cc1F,C40005008_decoy,ITAL,Decoy,0,-7.87482,-5.93,-3.87,-5.728064216788173
Cc1nnc([N-]S(=O)(=O)c2ccc3c(c2)CCCN3S(=O)(=O)c2cccc3ccccc23)s1,C40176108_decoy,ITAL,Decoy,0,-8.59844,-10.28,-1.74,-12.408157257308057
O=C(Nc1ccc(S(=O)(=O)[N-]c2ncccn2)cc1)c1sc2ccc3ccccc3c2c1Cl,C40838460_decoy,ITAL,Decoy,0,-9.02747,-10.12,-2.22,-11.885064360826554
Cc1c(C(=O)[O-])sc2[nH]c(=O)cc(CSc3nnc(-c4ccccc4)n3-c3ccc(F)cc3)c12,C13411962_decoy,ITAL,Decoy,0,-8.11924,-9.55,-2.86,-8.135498584550215
CC(C)c1ccc([C@@H]2C[C@H](C(F)(F)F)n3nc(-c4nnc([S-])n4C[C@@H]4CCCO4)cc3N2)cc1,C02790813_decoy,ITAL,Decoy,0,-8.48751,-5.25,-3.59,-5.278430617496766
O=C1CCCC2=C1[C@@H](c1ccc(Cl)cc1)c1c([O-])nc(SCc3ccc([N+](=O)[O-])cc3)nc1N2,C17155927_decoy,ITAL,Decoy,0,-10.3048,-10.32,-3.34,-11.089083071135764
O=C(Cn1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3)C(=O)N=C2[O-])c2ccccc21)Nc1ccccc1,C08741183_decoy,ITAL,Decoy,0,-8.37532,-9.76,-2.77,-8.218267153798065
O=C(Nc1ccccc1)c1c(/N=C/c2cc(Br)cc([N+](=O)[O-])c2[O-])sc2c1CCCC2,C59198940_decoy,ITAL,Decoy,0,-8.89301,-7.37,-1.81,-9.23971779436564
CCN(C(C)=O)c1nc(/C=C2\CN(Cc3ccccc3)Cc3c2nc2ccccc2c3C(=O)[O-])cs1,C13272774_decoy,ITAL,Decoy,0,-9.25264,-7.15,-1.8,-6.942239402263825
COc1ccc(N2C(=O)/C(=C\c3c(C)n(Cc4cccc(C)c4)c4ccccc34)C([O-])=NC2=S)c(OC)c1,C59595802_decoy,ITAL,Decoy,0,-8.49661,-7.76,-1.98,-13.416275024163491
CCOc1c(I)cc(/C=C2/C(=O)N(c3ccccc3C)C(=O)N=C2[O-])cc1OC,C59861267_decoy,ITAL,Decoy,0,-7.61637,-8.19,-1.63,-9.849184086295562
CC(C)c1ccc([C@@H]2C[C@@H](C(F)(F)F)n3nc(-c4nnc([S-])n4C[C@@H]4CCCO4)cc3N2)cc1,C13959794_decoy,ITAL,Decoy,0,-8.58538,-5.34,-2.9,-5.353582348001084
COc1ccc(OC)c([C@@H]2C3=C([O-])CC(C)(C)CC3=NC3=NC(SCc4ccc(C)cc4C)=NC(=O)[C@H]32)c1,C63448103_decoy,ITAL,Decoy,0,-8.86639,-9.2,-2.75,-8.645201276434724
COc1ccc(N2C(=O)/C(=C\c3cn(Cc4ccccc4C)c4ccccc34)C(=O)N=C2[O-])cc1Cl,C08742522_decoy,ITAL,Decoy,0,-7.93715,-7.68,-2.29,-6.682288546134717
CCc1noc(NC(C)=O)c1-c1ccc(C)c(S(=O)(=O)[N-]c2ccc(Br)cc2F)c1,C65116303_decoy,ITAL,Decoy,0,-8.08752,-8.27,-2.69,-7.88820485794341
CCN(CC)S(=O)(=O)c1cc(C(=O)N2/C(=N/c3cc(C)ccc3C)SCC2(C)C)ccc1Cl,C03307559_decoy,ITAL,Decoy,0,-6.72106,-5.1,-2.03,-5.297327684798987
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@H]1c1ccc(Cl)cc1,C01212235_decoy,ITAL,Decoy,0,-8.7757,-8.44,-4.18,-8.827842889553153
CCn1c(=C2C(=O)N(c3ccc(Cl)cc3)N=C2C)s/c(=C2\Sc3ccc(OC)cc3N2C)c1=O,C06878575_decoy,ITAL,Decoy,0,-8.87516,-6.0,-2.41,-5.026279457519767
O=C(c1cc2ccccc2oc1=O)N(/N=C/c1cccs1)c1nc2ccc(Br)cc2s1,C09148646_decoy,ITAL,Decoy,0,-9.62354,-5.42,-2.28,-5.90653601649896
COc1ccc([C@H]2c3c(ccc4ccccc34)Oc3ncn4nc(-c5ccc6ccccc6n5)nc4c32)cc1,C09210142_decoy,ITAL,Decoy,0,-8.7266,-6.62,-1.64,-5.356753667361596
CCOC(=O)[C@@]1(C#N)[C@H](c2ccc(Br)cc2)[C@@H](C(=O)C(C)(C)C)N2c3ccccc3C=C[C@@H]21,C09462390_decoy,ITAL,Decoy,0,-9.62904,-8.38,-3.17,-11.577167870446427
Cc1ccc(-n2c(SCC(=O)N3CCCC3)nc3c(sc(=S)n3-c3ccc(C)c(C)c3)c2=O)cc1,C03034289_decoy,ITAL,Decoy,0,-9.5433,-5.76,-2.8,-6.551198980037277
CCc1cccc2sc(N(Cc3ccccn3)C(=O)c3cc(-c4cccs4)nc4ccccc34)nc12,C09401582_decoy,ITAL,Decoy,0,-8.8087,-6.82,-3.14,-7.225537337914681
Cc1cc(C)c2nc(N(Cc3ccccn3)C(=O)c3cc(-c4cccs4)nc4ccccc34)sc2c1,C09402478_decoy,ITAL,Decoy,0,-10.2167,-9.57,-2.0,-9.342130266214602
C=CCn1/c(=N/C(=O)c2ccc(S(=O)(=O)N(C)C(C)C)cc2)sc2cc(Br)ccc21,C10098715_decoy,ITAL,Decoy,0,-8.5645,-5.46,-3.04,-5.69962917263612
CC1(C)Cc2c(sc3c2c2nc(-c4cccnc4)nn2c(=O)n3Cc2c(Cl)cccc2Cl)CO1,C13684001_decoy,ITAL,Decoy,0,-10.1406,-4.86,-2.21,-5.551994864638913
CC1(C)Cc2c(sc3c2c2nc(-c4ccncc4)nn2c(=O)n3Cc2c(Cl)cccc2Cl)CO1,C13723631_decoy,ITAL,Decoy,0,-9.28045,-5.99,-3.2,-6.376203096633821
COc1cc(/C=N/N2C(=O)[C@@H]3[C@@H](C2=O)[C@@H]2C=C[C@H]3C23CC3)cc(Br)c1OCc1ccccc1,C15220898_decoy,ITAL,Decoy,0,-7.69379,-5.97,-4.09,-5.062664587932876
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(Br)o3)c(=O)n2[C@@H]1c1ccc(Cl)cc1,C01212239_decoy,ITAL,Decoy,0,-8.71579,-8.22,-1.52,-11.195714303300113
COc1ccc(C(=O)[C@H]2[C@@H](c3ccccc3)C(C#N)(C#N)[C@@H]3C=Cc4ccccc4N32)cc1Br,C16037970_decoy,ITAL,Decoy,0,-8.19204,-4.92,-1.9,-5.435422409881558
CCOc1ccc(-n2c(SC[C@@H]3COc4ccccc4O3)nc3sc4c(c3c2=O)CCCC4)cc1,C03443779_decoy,ITAL,Decoy,0,-9.34218,-9.4,-2.44,-8.825270863411163
Cc1ccc(-n2c(=O)c3c4c(sc3n(Cc3cc(=O)n5c(C)cccc5n3)c2=O)CCCCC4)cc1C,C17053311_decoy,ITAL,Decoy,0,-8.89905,-8.35,-4.07,-7.201380132091352
O=C1S[C@@H]([C@H]2SC(=O)N(Cc3cccc4ccccc34)C2=O)C(=O)N1Cc1cccc2ccccc12,C15228547_decoy,ITAL,Decoy,0,-9.6412,-8.3,-2.71,-9.993286115462451
Cc1c(-c2nc3s/c(=C4\C(=O)N(Cc5ccc(F)cc5)c5ccccc54)c(=O)n3n2)oc2ccccc12,C34988409_decoy,ITAL,Decoy,0,-8.53096,-9.98,-2.15,-6.9535729815122105
Cc1ccc2oc3c(c(=O)c2c1)[C@@H](c1ccc(OCc2ccccc2)cc1)N(c1nc(C)c(C)s1)C3=O,C35512457_decoy,ITAL,Decoy,0,-8.7568,-5.3,-2.29,-5.413680944777502
Cc1nc2c(OCc3cccc(C(F)(F)F)c3)cccn2c(=O)c1-c1cc(C)n(-c2cccc(F)c2)n1,C35911442_decoy,ITAL,Decoy,0,-8.19985,-7.68,-1.99,-6.465151494920272
COC(=O)[C@@]1(C)CC[C@]2(C)CC[C@]3(C)C(=CC(=O)[C@H]4[C@@]5(C)C[C@@H]6C=NN=C6C(C)(C)[C@@H]5CC[C@]43C)[C@@H]2C1,C38549823_decoy,ITAL,Decoy,0,-8.19623,-5.09,-2.38,-5.097686114551302
CSN1C[C@](C)(S(=O)(=O)C(C)C)N(CC2(C3CCCCC3)CCN(Br)CC2)C1=O,C39490988_decoy,ITAL,Decoy,0,-9.38107,-7.39,-2.19,-9.214347728001934
O=C(c1cc(-c2ccccc2)nc2ccccc12)N(Cc1ccccn1)c1nc2c(F)cc(F)cc2s1,C36712348_decoy,ITAL,Decoy,0,-9.3747,-9.6,-3.93,-8.435350579025924
COc1ccc(/C=N/N(C(=O)c2ccc(N(C)C)cc2)c2nc3ccc(Br)cc3s2)cc1,C39713843_decoy,ITAL,Decoy,0,-9.7414,-7.74,,99.0
COc1ccc2nc(N(/N=C/c3ccc(Br)cc3)C(=O)c3ccc(N(C)C)cc3)sc2c1,C39714544_decoy,ITAL,Decoy,0,-9.53315,-6.39,-1.99,-8.093641528178955
CC[C@@H](C)N1C(=O)/C(=C\c2c(Oc3cc(C)ccc3C(C)C)nc3c(C)cccn3c2=O)SC1=S,C39836036_decoy,ITAL,Decoy,0,-8.27566,-7.93,-2.3,-8.022912690850411
CCCc1nnc(N2C(=O)c3oc4cc(C)c(C)cc4c(=O)c3[C@@H]2c2cccc(Br)c2)s1,C39838670_decoy,ITAL,Decoy,0,-8.64414,-4.83,-1.98,-5.4933159660458095
CCCOc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(F)cc2)c1,C39875545_decoy,ITAL,Decoy,0,-9.28036,-9.47,-1.9,-8.531278441272969
CCOc1ccc([C@@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(Br)cc2)cc1OC,C39879085_decoy,ITAL,Decoy,0,-9.8014,-4.63,-1.54,-5.351102342685135
CCOc1ccc([C@H]2c3c(oc4ccc(C)cc4c3=O)C(=O)N2c2ccc(Br)cc2)cc1OC,C39879086_decoy,ITAL,Decoy,0,-7.73536,-8.94,-1.96,-7.526816945506083
COc1ccccc1[C@H]1C2=C(N=c3s/c(=C\c4cccc(OC)c4OC)c(=O)n31)c1ccccc1CC2,C40033087_decoy,ITAL,Decoy,0,-10.2203,-5.95,-1.05,-7.454665333860961
Cc1cc(C)c2oc3c(c(=O)c2c1)[C@@H](c1cccc(Oc2ccccc2)c1)N(c1nc(C)c(C)s1)C3=O,C40045543_decoy,ITAL,Decoy,0,-8.97022,-5.78,-3.22,-5.568678722220576
Cc1cc(C)c2c(=O)c3c(oc2c1)C(=O)N(c1nc(C)c(C)s1)[C@@H]3c1cccc(Oc2ccccc2)c1,C40058001_decoy,ITAL,Decoy,0,-8.20703,-6.1,-4.22,-5.116022753604532
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C/C(=C(C#N)C#N)c2ccc(Br)cc2)cc1,C40147093_decoy,ITAL,Decoy,0,-8.24162,-9.75,-2.06,-8.365356588262
CCC(=O)N1CCc2ccc(OCc3ccc(C(=O)N4CCSCC4)o3)cc2[C@@H]1c1ccc(F)cc1,C40416500_decoy,ITAL,Decoy,0,-8.10406,-6.34,-2.03,-5.929046912133819
CN(C)c1ccc(/C=N\N=C2\S/C(=C\c3cccc(Br)c3)C(=O)N2Cc2ccco2)cc1,C47139240_decoy,ITAL,Decoy,0,-7.92758,-5.31,-1.76,-5.558196968535317
O=C1/C(=N\c2cccc(C(F)(F)F)c2)C[C@@H](c2ccc([N+](=O)[O-])cc2)N1c1cccc(C(F)(F)F)c1,C02308155_decoy,ITAL,Decoy,0,-7.263,-10.81,-4.02,-8.203754927394758
Fc1ccc([C@H]2[C@@H]3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2cccc(Br)c2)cc1,C50475736_decoy,ITAL,Decoy,0,-6.8949,-5.04,-3.36,-4.491429883327103
Fc1ccc([C@H]2[C@@H]3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2ccc(Br)cc2)cc1,C50479473_decoy,ITAL,Decoy,0,-7.21937,-4.99,-1.29,-4.651591261132324
COc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4nc(SC)nn4[C@@H](c4ccccc4F)[C@H]32)cc1,C50499563_decoy,ITAL,Decoy,0,-7.04856,-4.91,-1.32,-4.516400170611529
CC(=O)N(C(C)=O)c1ccc(C(c2ccccc2)(c2ccccc2)c2ccc(N(C(C)=O)C(C)=O)cc2)cc1,C59383290_decoy,ITAL,Decoy,0,-6.10223,-5.17,-2.77,-5.09264458669426
CCOC(=O)c1ccc(N2N=C(C)/C(=C/c3ccc(-c4ccc(Br)c(C)c4C)o3)C2=O)cc1,C59863193_decoy,ITAL,Decoy,0,-7.41284,-8.71,-2.76,-7.291901505258556
Fc1ccc([C@@H]2Oc3ccc(Cl)cc3C3=Nc4ncnn4[C@H](c4ccc(Br)cc4)[C@@H]32)cc1,C61903600_decoy,ITAL,Decoy,0,-8.8227,-6.13,-1.12,-5.9627075649958
O=C(/C=C/c1ccc([N+](=O)[O-])cc1)/N=C1\N=C2C=CC(I)=CN2Cc2ccccc21,C12489443_decoy,ITAL,Decoy,0,-8.1033,-5.07,-4.08,-4.86360506855505
CCc1ccc(/C=C2\Oc3c(ccc(OCc4cc(Br)cc5c4OCOC5)c3C)C2=O)cc1,C41508238_decoy,ITAL,Decoy,0,-9.43868,-7.9,-3.19,-6.822254916722103
CCc1ccc(/C=C2\Oc3cc(OCc4cc(Br)cc5c4OCOC5)cc(C)c3C2=O)cc1,C41508323_decoy,ITAL,Decoy,0,-8.41247,-9.49,-2.01,-6.938348427222275
COc1ccc(/C=C2\Oc3c(cc4c(c3C)OCN(Cc3ccc(Cl)cc3Cl)C4)C2=O)c(OC)c1,C41587149_decoy,ITAL,Decoy,0,-9.06308,-7.89,-2.13,-9.753843650084384
O=c1cc(-c2cc3cc(Br)ccc3oc2=O)c2ccc3c(c2o1)CN(C[C@@H]1CCCO1)CO3,C41663927_decoy,ITAL,Decoy,0,-9.04328,-6.34,-1.96,-6.081587190939889
Cc1ccccc1[C@H]1OC2(C(=O)c3ccccc3C2=O)[C@@H]2C(=O)N(c3ccccc3Br)C(=O)[C@H]12,C13512593_decoy,ITAL,Decoy,0,-7.25205,-7.69,-2.43,-5.396819093460239
C[C@@H]1CCc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)c4ccccc4)n32)C1,C02296830_decoy,ITAL,Decoy,0,-7.98269,-6.08,-3.14,-5.292692344278718
COC(=O)C1=C(C(=O)OC)SC(=C2C(=S)C(C)(C)N(C(=O)C(C)C)c3cc(C)ccc32)S1,C08817003_decoy,ITAL,Decoy,0,-6.76794,-3.36,-2.14,-4.125522196240608
CCc1nnc(N2C(=O)c3oc4ccc(Cl)cc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)s1,C02406178_decoy,ITAL,Decoy,0,-10.1051,-4.23,-1.91,-5.313609844803168
O=C(CSc1nnc2n(-c3ccccc3)c(=O)c3c4c(sc3n12)CCCCC4)c1ccccc1,C02275346_decoy,ITAL,Decoy,0,-7.2904,-7.06,-3.27,-6.476581669088565
Cc1cccc(-n2c(SCC(=O)c3ccc(F)cc3)nc3nc4c(cc3c2=O)COC(C)(C)C4)c1,C01241118_decoy,ITAL,Decoy,0,-8.54339,-9.46,-3.43,-10.247416825621936
C=CCOc1cccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2nc(C)cs2)c1,C02420721_decoy,ITAL,Decoy,0,-9.36782,-4.85,-2.7,-5.273812783377972
COc1ccc([C@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@@H]3C)N=C3CC(C)(C)CC(=O)[C@H]32)cc1,C09350032_decoy,ITAL,Decoy,0,-9.89341,-9.37,-2.62,-13.08454458586783
Cc1ccc(C)c2sc(N(Cc3ccccn3)C(=O)c3cc4c(ccc5ccccc54)oc3=O)nc12,C09402552_decoy,ITAL,Decoy,0,-9.54575,-9.89,-3.29,-9.584074752936374
COc1ccc([C@H]2[C@@H]3C(=O)C[C@@H](c4ccco4)CC3=Nc3ccccc3N2C(=O)c2ccccc2)cc1,C09934375_decoy,ITAL,Decoy,0,-6.43179,-5.1,-2.46,-4.614233747008539
C[C@H]1CCCc2sc3c(c21)c(=O)n(-c1ccccc1)c1nnc(SCC(=O)c2ccccc2)n31,C00985799_decoy,ITAL,Decoy,0,-9.2479,-7.12,-2.31,-7.220533268073275
O=c1c2c3n(c(SCc4csc(-c5ccccc5)n4)nc-2nn1-c1ccccc1)CCCCC3,C12529253_decoy,ITAL,Decoy,0,-7.53876,-9.23,-2.86,-8.523848757666643
O=C(OCc1cc(Br)cc2c1O[C@H](c1ccccc1)OC2)c1cc(=O)c2ccccc2o1,C13146384_decoy,ITAL,Decoy,0,-8.45286,-9.9,-2.5,-8.999813272719086
O=C1/C(=C/c2cn(Cc3ccc([N+](=O)[O-])cc3)c3ccccc23)SC(=S)N1c1ccccc1F,C03003685_decoy,ITAL,Decoy,0,-8.83044,-7.4,-1.8,-6.843222269520223
Cc1ccc(-n2c(SCC(=O)c3ccc(F)cc3)nc3nc4c(cc3c2=O)COC(C)(C)C4)cc1,C01288659_decoy,ITAL,Decoy,0,-6.76967,-9.8,-2.05,-5.689267902857037
CN(C)c1ccc(-c2c3c(=O)n(-c4ccccc4)c(=S)n(-c4ccccc4)c3nn2-c2ccccc2)cc1,C16186520_decoy,ITAL,Decoy,0,-6.73987,-4.87,-1.62,-4.307018218109968
COc1ccc2c(c1)c1c(c(=O)n(-c3ccc(C)cc3)c(=O)n1Cc1cccc(C(F)(F)F)c1)n2C,C20558163_decoy,ITAL,Decoy,0,-6.84186,-6.94,-2.52,-6.046228735540868
CCOC(=O)C1=C(C)N=c2s/c(=C\c3ccc(C)o3)c(=O)n2[C@H]1c1ccc(Br)cc1,C02697441_decoy,ITAL,Decoy,0,-9.09532,-8.14,-2.38,-8.856011043437258
O=c1c2c3c(sc2ncn1/N=C/c1ccc(N2CCC(c4ccc(Cl)cc4)=N2)cc1)CCCC3,C20615189_decoy,ITAL,Decoy,0,-9.33215,-7.21,-1.68,-5.58869430193156
Cc1ccc(-n2nc(C)c3c(C(F)(F)F)cc(=O)n(Cc4nc(-c5ccccc5C)oc4C)c32)cc1,C20996050_decoy,ITAL,Decoy,0,-7.58,-5.69,-3.12,-4.95216597823973
Cc1csc2nc(CSc3nc4sc5c(c4c(=O)n3CC(C)C)CC[C@@H](C)C5)cc(=O)n12,C21471185_decoy,ITAL,Decoy,0,-8.34934,-6.46,-2.45,-6.0780377622212205
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4cccs4)nn3c2=O)cc1,C27022404_decoy,ITAL,Decoy,0,-9.90306,-6.59,-4.41,-6.240648011451937
Cc1ccc(-c2nn(-c3ccccc3)cc2/C=c2\sc3nc(/C=C/c4ccccc4)nn3c2=O)cc1,C27022479_decoy,ITAL,Decoy,0,-9.47134,-6.2,-3.67,-6.022391256017048
O=c1n(Cc2ccccc2F)c2scc(-c3ccc(Cl)cc3)c2c2nc(-c3ccncc3)nn12,C28443950_decoy,ITAL,Decoy,0,-9.06125,-4.72,-2.38,-5.175124903325839
Cc1cccc(N2CCN(c3nc(CN4CCOCC4)nc4sc5c(c34)CC[C@H](C)C5)CC2)c1C,C33014527_decoy,ITAL,Decoy,0,-8.26311,-5.0,-2.66,-5.232623585655422
CCCOc1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccc(C)cn2)cc1,C35514965_decoy,ITAL,Decoy,0,-8.34897,-5.12,-2.0,-5.274552232127405
Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCCC2)C(=O)CS[C@@H]3c2ccsc2)c1C,C37425535_decoy,ITAL,Decoy,0,-8.05957,-4.75,-2.78,-5.5820400819355305
C=CCOc1ccc([C@@H]2c3c(oc4cc(C)c(Cl)cc4c3=O)C(=O)N2c2nc(C)c(C)s2)cc1,C38713993_decoy,ITAL,Decoy,0,-9.38804,-5.4,-2.08,-5.40371973213466
CN1c2ncnc(Cl)c2/N=C(\Cc2ccccc2)Cc2cc(S(=O)(=O)c3ccccc3)cc(F)c21,C39480500_decoy,ITAL,Decoy,0,-9.30574,-10.53,-4.07,-8.358791632195688
Cc1cccc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N([C@@H](C)c3ccccc3)C2=O)c1,C39835612_decoy,ITAL,Decoy,0,-9.80508,-9.77,-2.26,-10.440130982360037
Cc1cc(C)cc(Oc2nc3ccccn3c(=O)c2/C=C2/SC(=S)N(Cc3ccc(F)cc3)C2=O)c1,C39835776_decoy,ITAL,Decoy,0,-8.69245,-8.19,-2.42,-7.571856448336683
Cc1cccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C3CCCCC3)C2=O)c1,C39835907_decoy,ITAL,Decoy,0,-9.97946,-9.25,-2.92,-10.264617776260652
CCc1ccc(Oc2nc3c(C)cccn3c(=O)c2/C=C2/SC(=S)N(C3CCCC3)C2=O)cc1,C39835941_decoy,ITAL,Decoy,0,-8.677,-8.71,-1.67,-8.104328683890236
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(C4CCCCC4)C3=O)c(Oc3ccccc3Cl)nc12,C39835954_decoy,ITAL,Decoy,0,-8.01678,-9.34,-1.54,-8.59034796580201
CC(C)(C)c1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ncccn2)cc1,C39838569_decoy,ITAL,Decoy,0,-9.69036,-5.07,-3.11,-5.0020219229671445
COc1cccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2cccc(OC)c2)c1,C39875390_decoy,ITAL,Decoy,0,-8.03606,-9.52,-1.65,-8.727681313491113
COC(=O)c1ccc([C@@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccccc2)cc1,C39875477_decoy,ITAL,Decoy,0,-9.16392,-7.06,-2.03,-6.572935940467036
COC(=O)c1ccc([C@H]2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2c2ccccc2)cc1,C39875478_decoy,ITAL,Decoy,0,-9.25342,-5.24,-1.95,-5.073718201852247
COc1ccc(N2C(=O)c3oc4ccc(F)cc4c(=O)c3[C@@H]2c2cccc(Oc3ccccc3)c2)cc1,C39876136_decoy,ITAL,Decoy,0,-8.84225,-5.81,-3.46,-5.503844379660134
CCOc1ccc([C@H]2c3c(oc4ccc(F)cc4c3=O)C(=O)N2c2nc3c(C)cc(C)cc3s2)cc1,C40013934_decoy,ITAL,Decoy,0,-8.68741,-5.77,-2.15,-6.042989908528875
Cc1ccc(Oc2nc3ccccn3c(=O)c2/C=C2\SC(=S)N(C3CCCCC3)C2=O)cc1C,C40016267_decoy,ITAL,Decoy,0,-7.46736,-8.96,-4.06,-7.686207739233961
CCc1nnc(N2C(=O)c3oc4c(C)c(C)ccc4c(=O)c3[C@H]2c2ccc(Cl)c(Cl)c2)s1,C40063520_decoy,ITAL,Decoy,0,-10.3362,-8.57,-3.04,-8.479842453427924
Cc1ccc2c(=O)c3c(oc2c1C)C(=O)N(c1nnc(C(C)C)s1)[C@@H]3c1ccc(Br)cc1,C40063600_decoy,ITAL,Decoy,0,-11.1204,-4.7,-1.56,-5.000499519904226
O=C1N=C(N2CCN(c3ccccc3)CC2)S/C1=C\c1cn(-c2ccccc2)nc1-c1ccccc1,C40147327_decoy,ITAL,Decoy,0,-9.83404,-9.71,-2.82,-11.255199059984037
CC1(C)C[C@H]2C[C@](C)(CN2C(=O)CSc2nnc3c4ccccc4n(Cc4ccccc4)c3n2)C1,C35156343_decoy,ITAL,Decoy,0,-8.65987,-10.33,-3.37,-8.353758222169631
CCn1cc(Br)c(C(=O)OC[C@]23CO[C@H]4c5ccccc5O[C@@](C)(C[C@@H]2C)[C@@H]4[C@@H]3C)n1,C43737412_decoy,ITAL,Decoy,0,-8.57387,-7.56,-3.0,-7.215883279939646
COc1ccc([C@H]2[C@@H]3C(=Nc4ncnn42)c2cc(Cl)ccc2O[C@@H]3c2ccc(SC)cc2)cc1,C50703473_decoy,ITAL,Decoy,0,-8.01353,-4.5,-2.13,-5.168094089052579
COc1ccc(Br)cc1[C@H]1Oc2ccccc2C2=Nc3ncnn3[C@@H](c3cccs3)[C@H]21,C50703694_decoy,ITAL,Decoy,0,-7.48593,-4.18,-1.14,-3.573342677378497
COc1ccc([C@@H]2C(C#N)=C(SCC(=O)N3c4ccccc4C[C@H]3C)N=C3CC(C)(C)CC(=O)[C@@H]32)cc1,C09412463_decoy,ITAL,Decoy,0,-8.81584,-9.39,-2.86,-8.412270690889779
CC1=C(C)C/[S@](=N\S(=O)(=O)c2ccc(Cl)cc2)N(S(=O)(=O)c2ccc(Cl)cc2)C1,C13591101_decoy,ITAL,Decoy,0,-9.59764,-6.34,-2.91,-6.470878686980959
COc1ccc2c(c1)c(/C=C1/Oc3c4c(cc(C)c3C1=O)OCN(CCc1ccc(F)cc1)C4)cn2C,C41650938_decoy,ITAL,Decoy,0,-8.76794,-9.49,-2.54,-7.495984897671445
CC(=O)N=c1c(-c2ccccc2)cc2cc3cc(-c4ccccc4)c(=NC(C)=O)n(C(C)=O)c3cc2n1C(C)=O,C04266329_decoy,ITAL,Decoy,0,-7.16678,-5.8,-3.68,-5.673802682284621
Cc1nc(N2CCN(S(=O)(=O)c3cccc4nonc34)CC2)c2c3c(sc2n1)C[C@H](C(C)(C)C)CC3,C01372053_decoy,ITAL,Decoy,0,-7.84129,-4.85,-3.08,-4.973930235962817
N#Cc1cc2c(cc1NS(=O)(=O)c1cccc(S(=O)(=O)c3ccc(Br)cc3)c1)OCO2,C01421130_decoy,ITAL,Decoy,0,-8.88951,-8.48,-2.52,-9.030032190024611
O=C1CS/C(=N/N=C/c2cccc(OS(=O)(=O)c3cc(Br)ccc3Br)c2)N1,C03168282_decoy,ITAL,Decoy,0,-7.82334,-7.81,-1.74,-7.1524093457368325
O=C1c2ccccc2C(=O)C12O[C@H](c1ccccc1)C1(C(=O)c3ccccc3C1=O)[C@H]2c1cccc([N+](=O)[O-])c1,C00797199_decoy,ITAL,Decoy,0,-5.92164,-5.8,-4.61,-4.948502897955861
CC1(C)Cc2c(sc3c2c(=O)n(-c2ccccc2)c2nnc(SCC(=O)c4ccc(F)cc4)n32)CO1,C02254132_decoy,ITAL,Decoy,0,-8.55367,-6.94,-3.64,-7.08929208537559
Cc1cc(C)c2c3ccccc3n(CCNC(=O)c3nnsc3N3C[C@H]4C[C@@H](C3)c3cccc(=O)n3C4)c2n1,C08771161_decoy,ITAL,Decoy,0,-8.84407,-9.73,-3.55,-7.991885543702811
Cc1c(C(=O)Nc2ccc(Br)cc2F)oc2ccc(S(=O)(=O)N(C)C3CCCCC3)cc12,C03048521_decoy,ITAL,Decoy,0,-8.45206,-7.28,-2.06,-6.4129322514077245
CC(C)CN1C(=O)/C(=C/c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S,C01451389_decoy,ITAL,Decoy,0,-8.36112,-7.03,-2.22,-6.600494667050251
Cc1c(NC(=O)Cn2cnc3scc(-c4ccc5c(c4)CCCC5)c3c2=O)c(=O)n(-c2ccccc2)n1C,C01290506_decoy,ITAL,Decoy,0,-8.92128,-9.0,-2.31,-7.761102088441272
CC(C)(C)OC(=O)[C@@H]1[C@@H](c2cccc([N+](=O)[O-])c2)C2(C(=O)c3ccccc3C2=O)[C@H]2c3ccccc3C=NN12,C02224815_decoy,ITAL,Decoy,0,-6.41047,-5.06,-4.39,-4.72607333651556
Cc1ccc(CN2C(=O)[C@@](O)(CC(=O)c3ccc4c(c3)OCCO4)c3cc(Br)ccc32)c(C)c1,C09948502_decoy,ITAL,Decoy,0,-10.2703,-9.65,-1.61,-10.07834571119224
COc1ccc([C@H]2CC(=O)C3=C(C2)Nc2c(c(C)nn2-c2ccccc2)[C@@H]3c2ccc(Cl)cc2)cc1OC,C12349400_decoy,ITAL,Decoy,0,-8.1579,-5.51,-2.56,-5.863857502972601
CN(C)c1ccc(/C=c2/sc3n(c2=O)N[C@]2(c4ccccc4)N(C)C(=O)N(C)[C@]2(c2ccccc2)N=3)cc1,C12416613_decoy,ITAL,Decoy,0,-6.52739,-5.38,-1.55,-4.590522328782321
COc1cc([C@H]2Nc3ccccc3-n3c(-c4ccccc4)c4c(=O)n(C)c(=O)n(C)c4c32)cc(OC)c1OC,C12427952_decoy,ITAL,Decoy,0,-6.23451,-5.04,-1.38,-4.647534810439415
Cc1nn(CCC#N)c2c1[P@](=Nc1ccccc1Cl)(N1CCOCC1)N(C)C(c1ccccc1F)=N2,C12560263_decoy,ITAL,Decoy,0,-6.84797,-4.55,-3.52,-4.319209103657575
Cc1sc(NC(=O)CSc2nc3sc4c(c3c(=O)n2-c2ccccc2)CC[C@@H](C)C4)c(C#N)c1C,C12625154_decoy,ITAL,Decoy,0,-9.3011,-7.44,-2.46,-7.578665390159216
Cc1c(C(=O)N2CCN(c3ccc(F)cc3)CC2)sc2ncn(CC(=O)N3C[C@@H](C)C[C@H](C)C3)c(=O)c12,C02926796_decoy,ITAL,Decoy,0,-9.20794,-7.49,-4.16,-6.458360613761554
CC(C)CN1C(=O)/C(=C\c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccccn3c2=O)SC1=S,C09541037_decoy,ITAL,Decoy,0,-8.27426,-6.46,,99.0
CC(C)(C)C(=O)[C@H]1[C@H](C(=O)c2cccc([N+](=O)[O-])c2)[C@]2(C(=O)Nc3ccccc32)[C@@H]2C=Cc3ccccc3N21,C16038906_decoy,ITAL,Decoy,0,-7.72164,-9.34,-3.39,-9.226824129739883
Cc1ccc(-n2c(-c3ccc(F)cc3)cc(C(=O)N3CCN(C(=O)Nc4ccc(C)cc4C)CC3)c2C)cc1,C16567127_decoy,ITAL,Decoy,0,-8.25037,-5.91,-2.42,-5.3734211330913695
Cc1ccc(S(=O)(=O)N[C@]2(C(F)(F)F)C(=O)N(c3ccc(C)c(C)c3)C3=C2C(=O)CC(C)(C)C3)cc1,C20069658_decoy,ITAL,Decoy,0,-8.59809,-7.45,-4.47,-7.042124670890484
Cc1cc2cc([C@H](c3nnnn3C3CCCC3)N3CCN(c4cc(Cl)ccc4C)CC3)c(=O)[nH]c2cc1C,C20079872_decoy,ITAL,Decoy,0,-9.44817,-8.71,-2.11,-7.897746855329251
Cc1cc(C)c2nc(-n3nc(C)cc3NC(=O)c3ccc(S(=O)(=O)N4CCC(C)CC4)cc3)sc2c1,C21686734_decoy,ITAL,Decoy,0,-8.83786,-7.23,-3.6,-6.665401397114547
CCCN1C(=O)/C(=C/c2c(N3CCN(c4ccc(F)cc4)CC3)nc3ccc(C)cn3c2=O)SC1=S,C02246612_decoy,ITAL,Decoy,0,-8.9276,-6.64,-2.9,-5.094222754530003
COC(=O)c1sccc1NC(=O)N1Cc2c(C)nn(-c3ccccc3)c2-n2cccc2[C@@H]1c1ccccc1,C33266914_decoy,ITAL,Decoy,0,-7.4393,-5.03,-4.85,-5.5920077973913065
CC(C)CN1C(=O)/C(=C\c2c(N3CCN(c4ccccc4F)CC3)nc3ccccn3c2=O)SC1=S,C33339614_decoy,ITAL,Decoy,0,-9.19404,-7.05,-2.16,-6.686342499461897
COc1ccc(CN2C(=O)/C(=C\c3c(N4CCC(C)CC4)nc4c(C)cccn4c3=O)SC2=S)cc1,C33468383_decoy,ITAL,Decoy,0,-9.71295,-6.03,-3.23,-6.77599535963493
Cc1cccn2c(=O)c(/C=C3/SC(=S)N(Cc4ccc(F)cc4)C3=O)c(N3C[C@@H](C)O[C@H](C)C3)nc12,C33473367_decoy,ITAL,Decoy,0,-9.37543,-8.57,-3.03,-10.292482157542086
COc1ccc(CN2C(=O)/C(=C\c3c(N4CCCC[C@@H]4C)nc4c(C)cccn4c3=O)SC2=S)cc1,C33804035_decoy,ITAL,Decoy,0,-10.0394,-8.52,-4.09,-11.632269571678007
O=C(CN1CCc2sccc2[C@H]1c1cccc(F)c1)N1CCN(C(=O)Nc2ccc([N+](=O)[O-])cc2)CC1,C34788855_decoy,ITAL,Decoy,0,-7.02897,-5.77,-1.7,-5.126049696632755
O=C(CN1CN(c2ccccc2)C2(CCN(C(=O)Nc3cccc4ccccc34)CC2)C1=O)N1CCCCC1,C35045153_decoy,ITAL,Decoy,0,-8.05896,-10.65,-2.8,-8.18609717819352
COc1c2c(cc3c1[C@@H](C#C[C@@]1(O)C[C@H]4[C@@H]5CCC6=CC(=O)CC[C@]6(C)[C@@H]5CC[C@]4(C)C1)N(C)CC3)OCO2,C35498278_decoy,ITAL,Decoy,0,-9.4445,-5.93,-3.47,-5.129076908807152
CCCCn1c(=O)/c(=C2/Sc3ccccc3N2C)s/c1=C1/C(=O)N(c2cccc([N+](=O)[O-])c2)N=C1C,C33898779_decoy,ITAL,Decoy,0,-8.58373,-5.79,,99.0
Cc1s/c(=N\C(=O)CN2CCc3ccccc3C2)[nH]c1-c1ccc2c(c1)CCN2C(=O)c1ccccc1F,C13564995_decoy,ITAL,Decoy,0,-9.04796,-10.0,-2.86,-7.134941543620058
Cc1s/c(=N\C(=O)CN2CCc3ccccc3C2)[nH]c1-c1ccc2c(c1)CCN2C(=O)c1cccc(F)c1,C13565002_decoy,ITAL,Decoy,0,-8.57784,-9.87,-2.94,-8.53748435454103
Cc1cccc(-n2nc(C(C)(C)C)c3c2N(CC(=O)N2CCCC2)C(=O)CS[C@H]3c2cccs2)c1C,C37424868_decoy,ITAL,Decoy,0,-7.46823,-5.52,-2.13,-5.497779627721262
CC(=O)N(C)[C@@H](C(=O)N[C@@H]1CCC[C@H](n2c(=O)c3c(C)onc3c3c(Cl)cccc32)C1)c1ccccc1,C38806892_decoy,ITAL,Decoy,0,-8.55205,-8.46,-1.52,-7.877742909755749
COc1ccc(CN2C(=O)/C(=C\c3c(N4CCCC[C@H]4C)nc4c(C)cccn4c3=O)SC2=S)cc1,C39729252_decoy,ITAL,Decoy,0,-8.07301,-7.67,-1.9,-7.070159807624624
COc1cc([C@@H]2C3=C(CC(C)(C)CC3=O)Nc3nnnn32)cc(Br)c1OCc1cccc(C)c1,C40917132_decoy,ITAL,Decoy,0,-7.5756,-6.23,-3.27,-5.686479714600134
Cc1ccc(-c2nn([C@H]3CCS(=O)(=O)C3)c3c2[C@H](c2ccc(Cl)cc2)N(Cc2ccco2)C3=O)cc1,C41003826_decoy,ITAL,Decoy,0,-9.9433,-9.95,-2.45,-14.427475849646957
C[C@H](C(=O)N1CCSCC1)[C@H]1CC[C@]2(C)Cc3sc(CS(=O)(=O)C(C)(C)C)nc3[C@@H](C)[C@@H]2[C@@H]1O,C43549212_decoy,ITAL,Decoy,0,-8.9009,-5.63,,99.0
CC1(C)O[C@@H]2C[C@@H]3[C@H]4C[C@H](F)C5=CC(=O)C=C[C@]5(C)[C@]4(F)[C@H](O)C[C@]3(C)[C@@]2(C(=O)COC(=O)C2CC2)O1,C43757665_decoy,ITAL,Decoy,0,-8.18892,-4.92,-1.54,-5.726401172466137
Cc1ccc(C)c2sc(OC3CCN(C(=O)c4ccc(S(=O)(=O)N5CCC[C@@H](C)C5)cc4)CC3)nc12,C49442692_decoy,ITAL,Decoy,0,-9.16102,-6.53,-3.17,-7.070966908023715
N#C[C@@H]1C(=O)N=C(SCCSC2=NC(=O)[C@H](C#N)C3(CCCCC3)[C@@H]2C#N)[C@@H](C#N)C12CCCCC2,C49580292_decoy,ITAL,Decoy,0,-9.72885,-7.46,-1.72,-9.138684838878508
CN(C(=O)CSc1nnc2c3sc4nc(-c5ccccc5)c5c(c4c3ncn12)CCC5)c1ccccc1,C01241409_decoy,ITAL,Decoy,0,-7.92414,-8.12,-3.16,-6.210850513061692
COc1ccc(N2C(=O)[C@H]3Sc4c(sc(=O)n4CC(=O)Nc4ccccc4C)C(C)(C)[C@@H]3C2=O)cc1,C15087757_decoy,ITAL,Decoy,0,-9.32281,-7.17,-1.87,-6.654579692281924
CCc1ccc(-c2cc(C(=O)N[C@H]3C[C@H](C)CC(C)(C)C3)c3c(C)nn([C@H]4CCS(=O)(=O)C4)c3n2)cc1,C57311641_decoy,ITAL,Decoy,0,-8.66669,-6.28,-3.69,-6.156429158771498
N#C[C@@H]1C(SCCSC2=NC(=O)[C@H](C#N)C3(CCCCC3)[C@H]2C#N)=NC(=O)[C@H](C#N)C12CCCCC2,C64165009_decoy,ITAL,Decoy,0,-8.35138,-7.25,-1.64,-8.590129429217036
COc1cc([C@H]2c3cnn(C(C)(C)C)c3N=C3NC(=O)N(c4ccc(Cl)cc4)[C@@H]32)c(OC)c2c1OCO2,C66091756_decoy,ITAL,Decoy,0,-7.83536,-4.42,-2.32,-4.167584227868391
C=CCOc1ccc([C@@H]2C(C(=O)OCC)=C(C)N=c3s/c(=C\c4ccc(C(=O)[O-])cc4)c(=O)n32)cc1,C02049359_decoy,ITAL,Decoy,0,-9.62774,-7.92,-3.09,-14.422627891570905
CCOC(=O)c1ccc(N2C(=O)c3ccc(C(=O)Nc4cc(C(=O)[O-])cc(C(=O)[O-])c4)cc3C2=O)cc1,C02154254_decoy,ITAL,Decoy,0,-7.62735,-6.84,-3.52,-5.868139190795678
CC1(C)[C@@H](OC(=O)CCC(=O)[O-])CC[C@@]2(C)[C@@H]1CC[C@]1(C)[C@@H]2C(=O)C=C2[C@@H]3C[C@@](C)(C(=O)[O-])CC[C@]3(C)CC[C@]21C,C03977824_decoy,ITAL,Decoy,0,-8.60374,-4.83,,99.0
COc1ccc(Br)cc1C(=O)N/N=C/c1cc(C)n(-c2cc(C(=O)[O-])cc(C(=O)[O-])c2)c1C,C09262010_decoy,ITAL,Decoy,0,-7.85976,-5.59,-2.61,-5.570861318119162
Cc1cc(O)c(C(C)C)cc1[C@]1(c2cc(C(C)C)c(OP(=O)([O-])[O-])cc2C)OC(=O)c2ccccc21,C04261849_decoy,ITAL,Decoy,0,-7.35471,-4.79,-2.71,-5.075849106834598
CC(=O)OCC(=O)[C@@]1(OC(C)=O)CC[C@@H]2[C@@H]3CC=C4C[C@@H](OP(=O)([O-])[O-])CC[C@]4(C)[C@@H]3CC[C@@]21C,C12654171_decoy,ITAL,Decoy,0,-7.46092,-3.99,-2.54,-4.121880333541551
O=C(NC1CCC(CC2CCC(NC(=O)[C@H]3[C@@H](C(=O)[O-])[C@@H]4C=C[C@H]3C4)CC2)CC1)[C@@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,C16137688_decoy,ITAL,Decoy,0,-8.49657,-7.17,-3.32,-8.43546322494641
O=C(CN1C(=O)/C(=C/c2ccccc2OC(F)F)SC1=S)Nc1cc(C(=O)[O-])ccc1C(=O)[O-],C16922557_decoy,ITAL,Decoy,0,-7.30907,-7.92,-2.33,-9.36314770007013
COc1cc(/C=C2\C(=O)N(c3ccc(C)cc3)C(=S)N=C2[O-])ccc1OCc1cccc(C(=O)[O-])c1,C12363056_decoy,ITAL,Decoy,0,-7.17691,-7.87,-3.53,-6.312860121872262
CCOc1cc(/C=C2/SC([N-]c3ccc(Cl)c(C(F)(F)F)c3)=NC2=O)ccc1OCC(=O)[O-],C16916287_decoy,ITAL,Decoy,0,-7.75415,-7.37,-2.49,-6.558945120538701
CCOC(=O)c1c(-c2ccccc2)oc2ccc([N-]S(=O)(=O)c3cc([N+](=O)[O-])ccc3Cl)cc12,C27569507_decoy,ITAL,Decoy,0,-8.03134,-7.59,-2.47,-7.202196409945646
O=C([O-])CSc1nnc2c3c(-c4ccc(Cl)cc4)csc3n3c(SCC(=O)[O-])nnc3n12,C28444062_decoy,ITAL,Decoy,0,-8.20598,-6.59,,99.0
COc1cc(/C=C2/C(=O)N(c3ccc(C)cc3)C(=S)N=C2[O-])ccc1OCc1cccc(C(=O)[O-])c1,C33149459_decoy,ITAL,Decoy,0,-8.36562,-7.73,-2.44,-8.221922326846942
C=CCOC(=O)c1sc(N2C(=O)C([O-])=C(C(=O)c3sc(C)nc3C)[C@@H]2c2ccc(C)o2)nc1C,C35565876_decoy,ITAL,Decoy,0,-8.97704,-7.23,-3.19,-7.207728029764932
CCOC(=O)c1ccc(/N=C2/S/C(=C\c3ccc(OCc4ccc(C(=O)[O-])cc4)cc3)C(=O)N2C)cc1,C35656450_decoy,ITAL,Decoy,0,-8.29776,-6.47,-2.04,-5.779583944266933
O=C1NC([O-])=C2C(=NC(=O)[C@@]2([N-]S(=O)(=O)c2ccc(Cl)cc2)C(F)(F)F)N1c1ccccc1,C01859538_decoy,ITAL,Decoy,0,-6.71734,-5.08,-3.35,-5.298227166052965
Cc1c(C(=O)[O-])sc2c1=C(CSc1nc3ccccc3c(=O)n1CCCOC(C)C)CC(=O)N=2,C39680417_decoy,ITAL,Decoy,0,-8.63807,-8.55,-3.46,-10.442474661282194
O=C([O-])CCc1nnc(SCC(=O)N[C@H]2SC3=C(CCCC3)[C@H]2C(=O)c2ccccc2)nc1[O-],C39704042_decoy,ITAL,Decoy,0,-8.36094,-8.12,-2.47,-10.177736619301156
Cc1ccc(N2C(=O)N=C([O-])[C@@H]3[C@H]2NC(=O)[C@]3(c2c(C)nn(-c3ccccc3)c2[O-])C(F)(F)F)cc1C,C39964655_decoy,ITAL,Decoy,0,-7.08724,-5.59,-1.94,-5.097205819949301
COc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(C(C)C)s2)cc1OC,C39997877_decoy,ITAL,Decoy,0,-8.14648,-5.89,-2.52,-7.275480677873353
N#CC(=C\c1ccc(-c2ccccc2[N+](=O)[O-])o1)/C([O-])=N/c1nnc(SCc2ccc(F)cc2)s1,C39998230_decoy,ITAL,Decoy,0,-7.0944,-8.24,-3.26,-5.899043303668912
O=C([O-])[C@H]1CCCC[C@H]1C(=O)NC1CCC(CC2CCC(NC(=O)[C@H]3CCCC[C@H]3C(=O)[O-])CC2)CC1,C16137756_decoy,ITAL,Decoy,0,-7.42817,-6.48,-3.34,-6.400802827090331
COc1ccc(C(=O)[O-])cc1S(=O)(=O)[N-]c1cc(C)ccc1S(=O)(=O)Nc1ccc(C)cc1C,C25435754_decoy,ITAL,Decoy,0,-8.40573,-9.07,-4.12,-8.914414870184899
O=S(=O)([O-])Oc1ccc(-c2cn3c([O-])c(Cc4ccc(O)cc4)nc3c(Cc3ccccc3)n2)cc1,C45820566_decoy,ITAL,Decoy,0,-7.88333,-6.58,-1.85,-5.849505793985089
O=S(=O)([O-])Oc1ccc(Cc2nc3c(Cc4ccccc4)nc(-c4ccc(O)cc4)cn3c2[O-])cc1,C45820569_decoy,ITAL,Decoy,0,-9.53503,-5.87,-3.28,-6.4744232819691
COc1ccc([C@@H]2CC(=O)C(C(C3=C([O-])C[C@@H](c4ccc(OC)cc4)CC3=O)c3ccc(OC)c(OC)c3)=C([O-])C2)cc1,C00824033_decoy,ITAL,Decoy,0,-9.00839,-8.03,-2.74,-8.856275997124914
Cc1cc([N-]S(=O)(=O)c2ccc(NC(=O)CSc3nc4nc(C)c(Br)cc4[n-]3)cc2)nc(C)n1,C01878450_decoy,ITAL,Decoy,0,-7.61551,-6.65,-2.42,-5.7800348610591925
CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2cc(C)c([N-]S(=O)(=O)c3cccc([N+](=O)[O-])c3)cc12,C16779636_decoy,ITAL,Decoy,0,-8.54878,-7.63,-3.13,-7.306454419438261
[NH-]C1=NC(=O)/C(=C2\C(=O)N(CC(=O)Nc3ccc(C(=O)[O-])cc3)c3ccc(Br)cc32)S1,C54201906_decoy,ITAL,Decoy,0,-7.54393,-5.6,-1.22,-4.5307847603041385
COc1cc([C@H]2C3=C([O-])CCCC3=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc([O-])c32)ccc1O,C35532235_decoy,ITAL,Decoy,0,-9.523,-5.72,-2.43,-5.802594072228758
CC1(C)CC2=Nc3nc(SCc4ccc([N+](=O)[O-])cc4)nc([O-])c3[C@H](c3ccc(O)cc3)C2=C([O-])C1,C17242291_decoy,ITAL,Decoy,0,-9.17814,-5.79,-1.65,-5.908789384163845
Cc1ccc(NC(=O)C[C@H]2SC([N-]c3ccc(S(=O)(=O)[N-]c4nccs4)cc3)=NC2=O)cc1,C39843636_decoy,ITAL,Decoy,0,-8.43187,-8.74,-2.68,-7.523978650660694
CC1(C)CC2=Nc3nc(SCc4ccc(F)cc4)nc([O-])c3[C@H](c3ccc(O)c([N+](=O)[O-])c3)C2=C([O-])C1,C40476174_decoy,ITAL,Decoy,0,-9.34889,-5.7,-2.89,-6.338234867756988
COc1ccc(CCn2c([O-])c(/C=N/c3ccc(C(F)(F)F)cc3[N+](=O)[O-])c(C)c(C#N)c2=O)cc1,C39894173_decoy,ITAL,Decoy,0,-5.91838,-6.7,,99.0
Cc1cc(C)nc([N-]S(=O)(=O)c2ccc(/N=C/c3c(C)c(C#N)c4nc5ccccc5n4c3[O-])cc2)n1,C04647354_decoy,ITAL,Decoy,0,-9.06792,-7.27,-1.79,-6.897498832868294
O=C(/C([O-])=N/c1ccc([N+](=O)[O-])cc1)C(=C(\[O-])c1ccccc1)/C(=N/Cc1ccccc1)c1ccccc1,C17730184_decoy,ITAL,Decoy,0,-8.35435,-9.12,,99.0
CCOC(=O)C1=C([O-])/C(=C/c2cc(C)n(-c3ccc(C(=O)[O-])cc3)c2C)S/C1=N\c1ccc(CC)cc1,C59105476_decoy,ITAL,Decoy,0,-8.17083,-7.96,-3.12,-7.254357618029077
Cc1cc(/C=C2/C(=O)N(C)C(=S)N=C2[O-])c(C)n1-c1ccc(N2CCOCC2)c(Br)c1,C59182223_decoy,ITAL,Decoy,0,-8.9386,-4.46,-2.45,-5.455270610722891
COc1cc(/C=C2/C(=O)N(c3ccc(C)c(C)c3)C(=O)N=C2[O-])ccc1OCc1cccc(C(=O)[O-])c1,C59248671_decoy,ITAL,Decoy,0,-8.0671,-7.64,-2.54,-6.539927537814183
C=CCc1cc(/C=C2/C(=O)N(c3ccc(Cl)cc3Cl)C(=O)N=C2[O-])cc(OC)c1OCC(=O)[O-],C59302072_decoy,ITAL,Decoy,0,-8.36439,-6.96,-2.37,-7.038856539254548
Cc1ccc(N2C(=O)N=C([O-])/C(=C/c3cc(I)c([O-])c([N+](=O)[O-])c3)C2=O)cc1C,C59336694_decoy,ITAL,Decoy,0,-7.00872,-8.58,-2.15,-6.42007540329695
CCOC(=O)C1=C([O-])/C(=C/c2ccc(-c3cc([N+](=O)[O-])ccc3C)o2)S/C1=N\c1ccc(CC)cc1,C59364573_decoy,ITAL,Decoy,0,-8.36193,-8.61,-2.77,-7.253579517986664
CCO/C([O-])=C1\C(=O)/C(=C/c2ccc(OCc3ccc(C(=O)[O-])cc3)cc2)S\C1=N/c1ccc(C)cc1,C59437115_decoy,ITAL,Decoy,0,-8.57189,-5.27,,99.0
CCn1c2ccccc2c2cc(/C=N/c3ccc(S(=O)(=O)[N-]c4cc(OC)nc(OC)n4)cc3)ccc21,C59461215_decoy,ITAL,Decoy,0,-8.50464,-6.92,-4.31,-5.995572255569113
COc1cc(/C=C2/C(=O)N(c3cccc(C)c3C)C(=O)N=C2[O-])ccc1OCc1cccc(C(=O)[O-])c1,C59678487_decoy,ITAL,Decoy,0,-8.31273,-8.14,-3.15,-7.003551214657714
Cc1nn(-c2ccc([N+](=O)[O-])cc2)c(C)c1C(C1=C([O-])CC(C)(C)CC1=O)C1=C([O-])CC(C)(C)CC1=O,C59857972_decoy,ITAL,Decoy,0,-7.06564,-6.24,-3.27,-4.375477079018422
CC(C)(C)c1ccc(N2C(=O)N=C([O-])/C(=C/c3ccc(OCC(=O)[O-])c(Br)c3)C2=O)cc1,C33352521_decoy,ITAL,Decoy,0,-7.63785,-6.52,-2.53,-6.077536165613786
C[C@@H]1CCCCCCCCCC/C1=N\[N-]C1=NC(=O)[C@@H](CC(=O)Nc2ccc(O)c(C(=O)[O-])c2)S1,C22506078_decoy,ITAL,Decoy,0,-8.47729,-8.82,-2.59,-9.310295963899934
COCCCn1c(=O)/c(=C\c2ccc(NC(C)=O)cc2)s/c1=C(C#N)\C([O-])=N\c1ccc(C(=O)[O-])cc1,C16035552_decoy,ITAL,Decoy,0,-8.21004,-5.63,-1.78,-5.551089732536599
COc1ccc(N2C(=O)/C(=C/c3ccc(OCc4ccc(C(=O)[O-])cc4)c(OC)c3)C(=O)N=C2[O-])cc1,C18272096_decoy,ITAL,Decoy,0,-7.15638,-5.28,-2.72,-4.57598786032081
CCCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C2\SC(=S)N(CCCC(=O)[O-])C2=O)cc1,C09460947_decoy,ITAL,Decoy,0,-7.8535,-5.89,-4.04,-6.925958913904761
O=C([O-])c1cccnc1Sc1nc2scc(-c3ccccc3)c2c(=O)n1CCc1ccccc1,C13090982_decoy,ITAL,Decoy,0,-8.55517,-8.13,-1.3,-7.935215984228293
Cc1ccc(-n2c(C)cc(C(=O)CSc3nnc(-c4cccs4)n3CCC(=O)[O-])c2C)cc1F,C13193194_decoy,ITAL,Decoy,0,-7.89648,-6.43,-3.27,-6.303510902028975
Cc1ccc(-c2nnc(SCC(=O)c3cc(C)n(-c4ccc(F)cc4)c3C)n2CCC(=O)[O-])cc1,C13196746_decoy,ITAL,Decoy,0,-7.4645,-7.61,,99.0
Cc1ccc(-c2nnc(SCC(=O)c3cc(C)n(Cc4ccc(F)cc4)c3C)n2CC(=O)[O-])cc1,C13205764_decoy,ITAL,Decoy,0,-7.61631,-7.24,-4.07,-6.550336288389464
Cc1ccc(-n2c(C)cc(C(=O)CSc3nc4ccccc4c(=O)n3CCC(=O)[O-])c2C)cc1C,C13221213_decoy,ITAL,Decoy,0,-6.76947,-8.07,-2.78,-6.922958026788743
CCOc1ccc(-c2nnc(SCc3c(C(=O)[O-])oc4ccccc34)n2-c2ccccc2F)cc1,C13395495_decoy,ITAL,Decoy,0,-8.9776,-8.81,-4.01,-8.198554940002184
CCN1C(=O)/C(=C/c2ccccc2OCc2ccccc2C#N)S/C1=N\c1ccc(C(=O)[O-])cc1,C13689064_decoy,ITAL,Decoy,0,-6.99071,-5.67,,99.0
CCc1nc2c(C)cc(C)nc2n1Cc1ccc([C@H](c2ccccc2)[C@H](Br)C(=O)[O-])cc1,C13756142_decoy,ITAL,Decoy,0,-8.45903,-8.64,-2.44,-7.784431288952706
Cc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccc(F)cc3)[C@H]2c2cccc(Oc3ccccc3)c2)s1,C09273775_decoy,ITAL,Decoy,0,-8.23086,-9.34,-2.26,-9.325751668405422
COc1ccc([C@@H](C2=C([O-])CC(C)(C)C/C2=N\Cc2ccc(Cl)cc2)C2C(=O)CC(C)(C)CC2=O)cc1,C12694024_decoy,ITAL,Decoy,0,-8.98756,-9.69,-3.31,-9.051619555695035
O=C([O-])c1ccccc1/C=C1\Oc2cc(OC(c3ccc(F)cc3)c3ccc(F)cc3)ccc2C1=O,C27101274_decoy,ITAL,Decoy,0,-7.39501,-11.0,-3.89,-7.709465244136698
CCCCOc1ccc([C@@H]2C(C(=O)c3cc(C)ccc3C)=C([O-])C(=O)N2CCc2ccccc2)cc1,C33670481_decoy,ITAL,Decoy,0,-7.26316,-8.27,-3.29,-8.734385712042288
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@@H]1c1ccc(C(C)C)cc1,C09461037_decoy,ITAL,Decoy,0,-9.07587,-7.11,-3.55,-9.399950269321304
COCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCc3cccc(C)c3)cc2)[C@H]1c1ccc(C(C)C)cc1,C09461036_decoy,ITAL,Decoy,0,-8.8551,-8.92,-2.66,-11.102754606623632
COCCCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@H]1c1ccc(Cl)c(Cl)c1,C09019991_decoy,ITAL,Decoy,0,-8.63281,-8.65,-3.13,-8.316737329911492
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCc3ccc(OC)cc3)[C@@H]2c2ccc(C)cc2)c(C)c1,C16805255_decoy,ITAL,Decoy,0,-8.48531,-7.79,-1.73,-10.418465176383805
CCOC(=O)c1ccc(/N=C2\S[C@@H](CC(=O)[O-])C(=O)N2CCC23CC4CC(CC(C4)C2)C3)cc1,C35213811_decoy,ITAL,Decoy,0,-8.93032,-7.07,-2.54,-8.905414224394834
CCCCOc1ccccc1[C@@H]1C(C(=O)c2sc(C)nc2C)=C([O-])C(=O)N1CCc1ccccc1,C35568110_decoy,ITAL,Decoy,0,-8.93594,-8.36,-3.43,-10.834593453140972
COc1cc(/C=C2\S/C(=N/c3cccc(C(=O)[O-])c3)N(C)C2=O)ccc1OCc1ccc(C)cc1,C35656285_decoy,ITAL,Decoy,0,-7.6459,-7.7,-1.98,-7.83653786492092
CCN(CC)C(=O)C1=C(C)N=C2SC=C(/C=C(\[O-])N(C)Cc3ccccc3)N2[C@H]1c1ccccc1F,C35698034_decoy,ITAL,Decoy,0,-7.80287,-7.25,-2.63,-10.22838493392742
C[C@H](CCC(=O)[O-])[C@@H]1CC[C@H]2[C@H]3CC[C@@H]4CC(=O)CC[C@]4(C)[C@@H]3C[C@H](OC(=O)c3ccccc3)[C@@]21C,C36611986_decoy,ITAL,Decoy,0,-6.48193,-5.27,-3.79,-4.797204596043232
CCOc1ccc([C@H](c2c([O-])cc(C)n(CCOC)c2=O)N2CCN(c3ccc(F)cc3)CC2)cc1,C21098040_decoy,ITAL,Decoy,0,-8.44436,-6.74,-3.86,-8.346637738664482
CC1=C2C(CSc3nnc(-c4ccccc4)n3-c3ccc(F)cc3)=CC(=O)N=C2S[C@@H]1C(=O)[O-],C39690475_decoy,ITAL,Decoy,0,-6.85058,-9.31,-2.23,-7.344400963052309
CCCCCCn1c(SCC2=c3c(C)c(C(=O)[O-])sc3=NC(=O)C2)nc2ccccc2c1=O,C39690622_decoy,ITAL,Decoy,0,-8.41013,-8.32,-4.02,-10.702668348329658
CC(=O)O[C@H]1CC[C@](C)([C@@H]2CC[C@@]3(C)[C@H](CC[C@@H]3[C@@H](C)CCCC(C)C)[C@@H]2C(=O)C(=O)[O-])C(=O)C1,C13409044_decoy,ITAL,Decoy,0,-7.82004,-7.26,-2.32,-7.665984759145319
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCOC)[C@@H]2c2cccc(Br)c2)cc1,C39827118_decoy,ITAL,Decoy,0,-6.84535,-8.37,-1.47,-9.274577547888368
CCc1ccc([C@@H]2C(C(=O)c3sc(Sc4ccc(C)cc4)nc3C)=C([O-])C(=O)N2CCCOC)cc1,C39991696_decoy,ITAL,Decoy,0,-8.74556,-8.07,-2.46,-12.618735461981847
CCSc1ccc(-c2nn(-c3ccccc3)cc2/C=C(C#N)/C([O-])=N/c2nnc(CC)s2)cc1,C39997947_decoy,ITAL,Decoy,0,-8.32149,-6.63,-3.55,-7.056691241228878
CCSc1nnc(N2C(=O)C([O-])=C(C(=O)c3ccccc3)[C@@H]2c2cccc(Br)c2)s1,C39999667_decoy,ITAL,Decoy,0,-8.31102,-5.04,-2.52,-5.967993154046402
CCCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@@H]2c2cccs2)cc1,C40000052_decoy,ITAL,Decoy,0,-8.32159,-5.35,-2.92,-6.217823079316558
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SC)s3)[C@H]2c2ccc(F)cc2)cc1,C40003113_decoy,ITAL,Decoy,0,-9.46848,-7.17,-2.24,-8.668631803793044
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(c3nnc(SCC)s3)[C@@H]2c2cccs2)cc1,C40003185_decoy,ITAL,Decoy,0,-8.58756,-5.65,-2.37,-6.642633626913522
C=CCN1C(=O)C([O-])=C(C(=O)c2ccc(OCC(C)C)c(C)c2)[C@@H]1c1cccc(Oc2ccccc2)c1,C40027755_decoy,ITAL,Decoy,0,-8.52722,-7.74,-3.62,-8.35890345384499
CCCCOc1cccc([C@@H]2C(C(=O)c3ccc(Br)cc3)=C([O-])C(=O)N2CCCC)c1,C40077130_decoy,ITAL,Decoy,0,-8.21436,-9.26,-2.73,-8.832709560257904
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(Br)cc2)[C@@H]1c1ccc(OCC)c(OCC)c1,C40077141_decoy,ITAL,Decoy,0,-8.27068,-8.52,-4.24,-8.864753758101342
CCCCOc1ccccc1[C@@H]1C(C(=O)c2ccc(Br)cc2)=C([O-])C(=O)N1CCCC,C40077196_decoy,ITAL,Decoy,0,-8.40222,-9.39,-2.99,-9.113916751120096
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@H]2c2ccc(Br)cc2)cc1,C40078776_decoy,ITAL,Decoy,0,-8.85672,-8.06,-1.94,-11.006924476833468
C=CCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2cc(Br)ccc2OC)c(C)c1,C40083467_decoy,ITAL,Decoy,0,-7.9618,-8.19,-2.58,-8.24316943626779
CCCCOc1ccc(C(=O)C2=C([O-])C(=O)N(CCCC)[C@@H]2c2ccc(Br)cc2)c(C)c1,C40083979_decoy,ITAL,Decoy,0,-9.15449,-8.03,-2.05,-9.546794658711663
CCCCN1C(=O)C([O-])=C(C(=O)c2ccc(S(=O)(=O)N(C)C)cc2)[C@@H]1c1cccc2ccccc12,C40110949_decoy,ITAL,Decoy,0,-9.5476,-9.78,-2.32,-12.808345796401062
CCOc1cc(/C=C2\SC(=S)N=C2[O-])cc(Br)c1OCc1ccc(Cl)cc1,C40942116_decoy,ITAL,Decoy,0,-8.54543,-7.93,-2.22,-10.812846668734725
CCOc1cc(/C=C2/SC(=S)N=C2[O-])cc(Br)c1OCc1cc(C)c(C)cc1C,C40942124_decoy,ITAL,Decoy,0,-7.29221,-6.94,-2.21,-7.185693341748136
COC(C)(C)C[C@](C)(Oc1c(Br)cc(Br)cc1Br)C(=O)[O-],C41939071_decoy,ITAL,Decoy,0,-7.79651,-6.09,-1.44,-8.58416047007326
CCOC(=O)C1=C(C)N=C(SCC(=O)c2ccc(-c3ccccc3)cc2)[N-][C@@H]1c1ccc(OC)cc1,C03109001_decoy,ITAL,Decoy,0,-8.21836,-6.48,-3.73,-6.46855470003969
O=C1N=C([O-])/C(=C/c2cn(CCCOc3ccccc3Cl)c3ccccc23)C(=O)N1Cc1ccccc1,C59087175_decoy,ITAL,Decoy,0,-8.29978,-9.45,-1.87,-8.432884694362
CCO/C([O-])=C1\C(=O)/C(=C/c2cc(C(C)C)c(OC)cc2C)S\C1=N/c1ccc(Br)cc1,C59366095_decoy,ITAL,Decoy,0,-8.58616,-7.22,-1.85,-8.410730630477728
CCCO/C([O-])=C1\C(C)=NC2=C(C(=O)C[C@H](c3ccccc3OC)C2)[C@@H]1c1ccc(OC)c(OC)c1,C02731727_decoy,ITAL,Decoy,0,-9.1306,-9.23,-3.75,-8.712151008987359
CC1=C(C(=O)OC[C@@H]2CCCO2)[C@@H](c2cccc(C(F)(F)F)c2)C2=C([O-])C[C@@H](c3ccco3)CC2=N1,C35913046_decoy,ITAL,Decoy,0,-7.80232,-5.56,-2.35,-4.806167474642424
CC(C)(C)c1ccc(OCC(=O)Oc2ccc(Br)cc2C(=O)[O-])c(Br)c1,C66145583_decoy,ITAL,Decoy,0,-7.62417,-7.76,-2.79,-7.843407125989884