SMILES,mcr
C/C=C1\C(=O)C[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,1.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1cnc2ccccc21)C(F)(F)F,1.0
C/C=C1/C(=O)C[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,1.0
Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(C)c1,1.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1cc(C)[nH+]c1C)C(F)(F)F,1.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCOc2ccccc21)C(F)(F)F,1.0
Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,1.0
CC(C)(C[C@@](C)(O)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,1.0
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2[C@@H]3O[C@@H]3[C@@]3(C)[C@H](CC[C@@]34CCC(=O)O4)[C@@H]21,1.0
CC(=O)[C@@H]1CC[C@@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]21C(=O)C=[N+]=[N-],1.0
COc1ccccc1C1CCN(c2[nH]c(=O)[nH]c(=O)c2Cc2ccccc2)CC1,1.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1c(C)ccc2ccccc12)C(F)(F)F,1.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F,1.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F,1.0
C[C@@](c1ccc(F)cc1)(c1c[nH]c2c([N-]S(C)(=O)=O)cccc12)C1CC1,1.0
CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cccc2c1OCC2,1.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F,1.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCC(=O)c2ccccc21)C(F)(F)F,1.0
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12,1.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc(C)cc(C)c1)C(F)(F)F,1.0
COC(=O)C1=C(Cc2ccccc2)NC(C)=C(C#N)[C@H]1c1ccccc1Cl,1.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F,1.0
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@]34CCC(=O)O4)[C@H]12,1.0
CC(C)(C[C@](O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1cc(F)ccc1O,1.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@@H](C)C(=O)[C@@H](C)C1)C(F)(F)F,1.0
C=CC[C@H]1Oc2cccc(OC(F)F)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,1.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cccc4c3OCC4)C(F)(F)F)cc12,1.0
C=CC[C@H]1Oc2cccc(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,1.0
COC(=O)C1=C(Cn2cnnn2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl,1.0
COC(=O)C1=C(Cn2cccn2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl,1.0
COC(=O)C1=C(Cn2ccnc2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl,1.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CNc1ccc2c(c1)COC2=O)Cc1ccccc1,1.0
Cc1nc(C)c(C2=NN(c3ccc(C#N)cc3)[C@@H](c3ccc(F)cc3)C2)s1,1.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F,1.0
CC(C)[C@@H]1CC(c2ccc(C(=O)[O-])cc2)=NN1c1ccc(C#N)c(Cl)c1,1.0
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@H]3[C@H]2C2CCCC2)ccc1C#N,1.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCC2)cc1Cl,1.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1cc(F)ccc1O,1.0
CCOC(=O)C1=C(c2ccccc2)NC(C)=C(C#N)[C@@H]1c1ccccc1Cl,1.0
N#Cc1ccc(N2N=C(c3ccc(C(=O)[O-])cc3)C[C@H]2c2ccco2)cc1,1.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2[C@@H]2C=CC=CO2)cc1Cl,1.0
CCCC1=C(C(=O)OC)[C@@H](c2ccc(F)cc2Cl)C(C#N)=C(C)N1,1.0
Cn1c(C#N)ccc1-c1ccc2c(c1)[C@](C)(c1ccsc1)OCC(=O)N2,1.0
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCCC2)ccc1C#N,1.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2[C@@H]2CCCO2)cc1Cl,1.0
CC(C)(C[C@](O)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,1.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CC=CC2)cc1Cl,1.0
CS(=O)(=O)[N-]c1ccc2c(c1)[C@@H](c1ccccc1)Oc1cccc(OC(F)F)c1-2,1.0
COc1cc(C(=O)[O-])ccc1C1=NN(c2ccc(C#N)c(Cl)c2)[C@@H](C2CCCC2)C1,1.0
COc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCCC2)ccc1C#N,1.0
Cc1c([N-]S(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(=O)[O-])cc2)cc1,1.0
N#Cc1ccc(N2N=C(c3ccc(C(=O)[O-])cc3)C[C@H]2c2cccs2)cc1,1.0
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@@H]3[C@@H]2C2CCCC2)ccc1C#N,1.0
CCOc1cc(C2=NN(c3ccc(C#N)c(Cl)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)[O-],1.0
COc1cccc2c1-c1ccc3c(c1[C@@H](c1cccc(C(F)(F)F)c1)O2)C(C)=CC(C)(C)N3,1.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12,1.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12,1.0
CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](c1ccccc1)Oc1ccccc1-3,1.0
CC(C)(C)c1ccc(C[C@](O)(CC(C)(C)c2ccccc2)C(=O)Nc2ccc3c(c2)COC3=O)cc1,1.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@H]3[C@H]2c2ccc(F)cc2)cc1Cl,1.0
N#Cc1ccc(N2N=C(c3ccc4[nH]c(=O)oc4c3)C[C@@H]2c2ccc(F)cc2)cc1,1.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccncc1C)Oc1ccc(F)cc1-3,1.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@@H]3[C@@H]2c2ccc(F)cc2)cc1Cl,1.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2c2ccc(F)cc2)cc1Cl,1.0
CC1=CC(C)(C)Nc2ccc3c(c21)C(=C1SCCCS1)Oc1ccc(F)cc1-3,1.0
CC(=O)c1ccc([C@H]2C[C@]3(C)[C@@H](CC[C@]3(O)CCCO)[C@@H]3CCC4=CC(=O)CCC4=C32)cc1,1.0
COc1c(O)ccc2c1C1=C(/C(=C/c3cccc(O)c3)O2)[C@@H]2C(C)=CC(C)(C)N[C@H]2C=C1,1.0
COCc1ccsc1/C=C1\Oc2ccc(O)c(OC)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,1.0
COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1cccc(C)c1F)O2)C(C)=CC(C)(C)N3,1.0
COc1c(O)ccc2c1-c1ccc3c(c1/C(=C/c1sccc1/C(C)=N/O)O2)C(C)=CC(C)(C)N3,1.0
Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1,0.0
Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]nnc4c3)c2n1,0.0
Nc1nc(-c2ccco2)c2nnn(Cc3ccc(N)c(F)c3)c2n1,0.0
Nc1nc(-c2ccco2)c2ncn(Cc3ccc(C(F)(F)F)cc3F)c2n1,0.0
Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ncc4c3)c2n1,0.0
Nc1nc(-c2ccco2)c2cnn(CCCc3ccccc3)c2n1,0.0
OC[C@H]1O[C@H](n2cnc3c(NC4CCCC4)ncnc32)[C@@H](O)[C@H]1O,0.0
Nc1nc(-c2ccco2)c2cnn(Cc3cccnc3)c2n1,0.0
Cc1ccc2c(c1)-c1nc(N)nc(-c3ccccc3)c1C2,0.0
Nc1nc(-c2ccco2)c2nnn(Cc3cccnc3)c2n1,0.0
OC[C@H]1O[C@H](n2cnc3c(NC4CCCCC4)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1nc2c(cnn2Cc2ccc(F)cc2)c2nc(-c3ccco3)nn12,0.0
Nc1nc(-c2ccco2)c2ncn(Cc3ccc4ccccc4c3)c2n1,0.0
Nc1nc2c(nnn2Cc2ccccc2)c2nc(-c3ccco3)nn12,0.0
Nc1nc2c(ncn2Cc2ccccc2)c2nc(-c3ccco3)nn12,0.0
Nc1nc(-c2ccccn2)c2cnn(Cc3ccccc3F)c2n1,0.0
N#Cc1c(-c2ccccc2)cc(-c2ccco2)nc1N,0.0
Nc1nc(-c2ccco2)c2nnn(Cc3ccccn3)c2n1,0.0
C#CCOc1nc(-c2ccccc2)nc2sc3c(c12)CCCC3,0.0
OC[C@H]1O[C@H](n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@@H]1O,0.0
N#Cc1c(-c2ccco2)cc(-c2ccccc2)nc1N,0.0
Nc1nc(-c2cc[nH]n2)c2cnn(Cc3ccccc3F)c2n1,0.0
Nc1nc(-c2ccco2)c2nnn(Cc3ccco3)c2n1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1c(C[NH+]3CCCCC3)cccc1C2=O,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1c(C[NH+]3CCCC3)cccc1C2=O,0.0
Nc1nc(-c2ccco2)c2ncn(Cc3cccc4ccccc34)c2n1,0.0
Nc1nc2ccc(Cl)cc2c2nc(-c3ccco3)nn12,0.0
Nc1nc(-c2nccs2)c2cnn(Cc3ccccc3F)c2n1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1ccccc1C2=O,0.0
Nc1nc(-c2ccco2)c2ccn(Cc3ccccc3F)c2n1,0.0
C#CCOc1nc(-c2ccccc2)nc2sc3c(c12)CCC3,0.0
Nc1nc(Cl)nc2c1ncn2[C@H]1S[C@H](CO)[C@H](O)[C@@H]1O,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C[NH2+]Cc3ccco3)ccc1C2=O,0.0
Nc1nc(-c2ccco2)c2nnn(Cc3cccs3)c2n1,0.0
Nc1nc(-c2ccco2)c2c(n1)-c1ccccc1C2=O,0.0
Nc1nc(-c2ccco2)c2nnn(CC3CCCCC3)c2n1,0.0
Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCC1,0.0
Nc1cccc(Nc2nccc(-c3ccncc3)n2)c1,0.0
[NH3+]Cc1ccc(-c2cn3c(-c4cn[nH]c4)cnc3cn2)cc1,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,0.0
Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1,0.0
Nc1nc(N)c2c(Nc3cccc(Cl)c3)[nH]nc2n1,0.0
FC(F)C(F)(F)Oc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1,0.0
Oc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0.0
Fc1ccc([C@H](Cl)Cn2ncc3c(NCc4ccccc4F)ncnc32)cc1,0.0
Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,0.0
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21,0.0
Nc1ncnc2n[nH]c(Nc3cccc(Cl)c3)c12,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,0.0
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC,0.0
c1ccc2c(-c3nc4cc(N5CCC([NH+]6CCCCC6)CC5)ccc4[nH]3)n[nH]c2c1,0.0
O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)C1CCCCC1,0.0
CCCCCC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1,0.0
O=C(Nc1nnc(COc2ccccc2)s1)c1cccs1,0.0
Cc1ccc(NC(=O)Nc2cccc(N3CCCC3)c2)cc1Nc1nccc(-c2cccnc2)n1,0.0
O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1,0.0
Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,0.0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,0.0
O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(I)cc1,0.0
CSc1nc(NCCc2ccccc2)c2cnn(C[C@@H](Cl)c3ccc(Cl)cc3)c2n1,0.0
Cc1nc(N2CCN(CCO)CC2)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)[nH+]1,0.0
CSc1nc(N2CCCCC2)c2cnn(C[C@@H](Br)c3ccccc3)c2n1,0.0
N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccsc1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O,0.0
O=C([O-])CN1C(=O)[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])Cc2ccccc21,0.0
CC(=O)S[C@H](C(=O)c1cccc2ccccc12)[C@H](C)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
O=C([O-])CN1Cc2ccccc2C[C@@H]([NH2+][C@H](CCc2ccccc2)C(=O)[O-])C1=O,0.0
C[C@@H]1CCC[C@@H]([NH2+][C@H](CCc2ccccc2)C(=O)[O-])C(=O)N1CC(=O)[O-],0.0
O=C([O-])CN1CCCCCC[C@@H]([NH2+][C@H](CCc2ccccc2)C(=O)[O-])C1=O,0.0
CC(=O)N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-],0.0
O=C([O-])CN1CCC[C@@H]([NH2+][C@H](CCc2ccccc2)C(=O)[O-])C1=O,0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc2ccccc2c1,0.0
O=C([O-])CN1CCCCC[C@@H]([NH2+][C@H](CCc2ccccc2)C(=O)[O-])C1=O,0.0
C[C@H](N[P@@](=O)([O-])Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
C[C@@H]([NH2+][C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1Cc2ccccc2[C@@H]1C(=O)[O-],0.0
C[C@H](NC(=O)[C@@H](S)CCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc2c(c1)CCC2,0.0
C[C@@H](NC(=O)[C@@H]1CCCC[C@@H]1S)C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
C[C@@H](O[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
C[C@H](CS)C(=O)N(CC(=O)[O-])[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3,0.0
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
C[C@H](c1ccccc1)[C@H](CS)C(=O)N[C@H](Cc1ccccc1)C(=O)[O-],0.0
O=C(S[C@@H]1CCC[C@@H]1C(=O)N1CCC[C@@H]1C(=O)[O-])c1ccccc1,0.0
O=C([O-])CN1C(=O)[C@@H](NC(=O)[C@@H](S)Cc2ccccc2)CCCC12CC2,0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1cccc(C(F)(F)F)c1,0.0
C[C@@H]([NH2+][C@H](CCc1cccc2ccccc12)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
C[C@@H](NC(=O)c1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-],0.0
C[C@H](N[P@@](=O)([O-])OCc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
O=C([O-])[C@@H]1CCCN1C(=O)C[P@@](=O)([O-])CCCCc1ccccc1,0.0
O=C([O-])[C@@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])[NH2+]Cc1ccccc1,0.0
CC(C)CN(C[C@H](O)C(=O)[O-])C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-],0.0
O=C(N[C@H](CCC(=O)N1CCC[C@H]1C(=O)[O-])C(=O)[O-])OCc1ccccc1,0.0
C[C@@H](S[C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
O=C([O-])CN1C(=O)[C@@H](NC(=O)[C@@H](S)Cc2ccccc2)CCCC12CCC2,0.0
O=C([O-])CN1C(=O)[C@H]([NH2+][C@@H](CCc2ccccc2)C(=O)[O-])CCCc2ccccc21,0.0
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC[C@@H]1C(=O)[O-],0.0
C[C@H](CS)C(=O)N(CC(=O)[O-])c1ccc2c(c1)OCO2,0.0
O=C(N[C@H](CCC(=O)N1Cc2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-])OCc1ccccc1,0.0
CC(C)CN(C[P@@](=O)([O-])O)C(=O)N[C@@H](Cc1ccc2ccccc2c1)C(=O)[O-],0.0
C[N@H+]1CC[C@H](CC/C=C2\Cc3ccccc3C2=O)CC1,0.0
C/C=C1\[C@H]2C=C(C)C[C@]1([NH3+])c1ccc(=O)[nH]c1C2,0.0
C[N@H+]1CC[C@H](/C=C2\Cc3ccccc3C2=O)CC1,0.0
CC1=C[C@@H]2Cc3[nH+]c4cc(Cl)ccc4c(N)c3[C@H](C1)C2,0.0
C[N@H+]1CC[C@H](CCC[C@@H]2Cc3ccccc3C2=O)CC1,0.0
C[N@H+]1CC[C@H](CCN2C(=O)c3ccccc3C2=O)CC1,0.0
C[N@H+]1CC[C@H](C[C@@H]2Cc3ccccc3C2=O)CC1,0.0
Nc1c2c([nH+]c3cccc(Cl)c13)CCCCC2,0.0
O=C(CCOc1c[nH]c2ccccc12)NCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
Cc1[nH+]c2cccc(F)c2c(N)c1CSCc1cccc(C(=O)C(F)(F)F)c1,0.0
O=C(NCCNc1c2c([nH+]c3ccccc13)CCCC2)C(=O)NCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
CNC(=O)Oc1cccc2c1CC[C@H]1CC[N@H+](C)[C@H]21,0.0
C[NH+]1CCN(C[C@@H]2Cc3ccccc3C2=O)CC1,0.0
CNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0.0
CNC(=O)Oc1cccc(C[N@H+](C)CCCCCCCOc2ccc3c(c2)O/C(=C\c2cc(O)c(O)c(O)c2)C3=O)c1,0.0
O=C1Cc2ccccc2C(=O)N1CC[C@H]1CC[N@H+](Cc2ccccc2)CC1,0.0
O=C(CCc1c[nH]c2ccccc12)NCCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
O=C(CCCc1c[nH]c2ccccc12)NCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
O=C(CCCCCNc1c2c([nH+]c3ccccc13)CCCC2)NCCc1c[nH]c2ccc(O)cc12,0.0
O=c1[nH]c2ccccc2c(=O)n1CC[C@H]1CC[N@H+](Cc2ccccc2)CC1,0.0
C[N+]1(CCCC(=O)Nc2ccc3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1,0.0
O=C(CC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2,0.0
Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@@H]1N2C,0.0
O=C(CCc1c[nH]c2ccccc12)NCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
O=C(CCc1c[nH]c2ccccc12)NCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
CNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3ccccc3c2)c1,0.0
O=C(CCc1c[nH]c2ccccc12)NCCCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2,0.0
O=C1NC(=O)[C@](CN2Cc3ccc(Cl)cc3C2=O)(c2ccc(F)cc2)N1,0.0
O=C(NCCCc1nnc([S-])[nH]1)c1ccc(OCc2ccnc3ccccc23)cc1,0.0
CCO[P@](=O)(CCc1ccccc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,0.0
COc1ccc2[nH]n(C[C@@]3(c4ccccc4)NC(=O)NC3=O)c(=O)c2c1,0.0
O=C1NC(=O)[C@@](CN2Cc3ccc(F)cc3C2=O)(c2cccc(Oc3ccccc3)c2)N1,0.0
Cc1cc(COc2ccc(C(=O)NCCC(=O)NO)cc2)c2ccccc2n1,0.0
COC(=O)[C@]1(c2cccc(Oc3ccc4ccccc4c3)c2)C[C@H]1C(=O)NO,0.0
COc1ccc2[nH]n(C[C@]3(C)NC(=O)NC3=O)c(=O)c2c1,0.0
O=C(NCc1nc(Cc2ccccc2)co1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,0.0
COc1ccc2c(c1)C(=O)N(C[C@]1(C)NC(=O)NC1=O)C2,0.0
O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@H]1c1ccccn1,0.0
O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2ccccc2)cc1,0.0
CC(=O)NCC[C@@H](NS(=O)(=O)c1ccc(-c2ccccc2)cc1)C(=O)NO,0.0
COC(=O)[C@]1(c2cccc(Oc3ccc(C)cc3)c2)C[C@H]1C(=O)NO,0.0
Cc1cc(COc2ccc(C(=O)Nc3ccccc3[C@H]3NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
COc1ccc(S(=O)(=O)[C@@](C)(CC2CCCCC2)C(=O)NO)cc1,0.0
C[N@H+]1CC[C@@](C(=O)NO)(S(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CC1,0.0
Cc1cc(COc2ccc(S(=O)(=O)NCc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1[C@@H](O)[C@H](O)[C@@H](O)CN1S(=O)(=O)c1ccc(Oc2ccccc2)cc1,0.0
COc1ccc(S(=O)(=O)[C@H](Cc2ccc3ccccc3c2)C(=O)NO)cc1,0.0
CC#CCOc1ccc(S(=O)(=O)N(CC(=O)NO)Cc2cccnc2)cc1,0.0
O=C(NCc1nc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccccc1,0.0
CC#CCOc1ccc(S(=O)(=O)N2CCOC[C@@H]2C(=O)NO)cc1,0.0
CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)NO)[C@H]2CC[S@@](=O)CC2)cc1,0.0
O=C1NC(=O)[C@](CN2Cc3cc(OCC4CC4)ccc3C2=O)(c2ccc(F)cc2)N1,0.0
COc1ccc(S(=O)(=O)N(C)c2c(CN3CCOCC3)cccc2C(=O)NO)cc1,0.0
Cc1nscc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)NO)cc1,0.0
O=C(NCc1cc(Cc2ccccc2)cs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1ccc(F)cc1,0.0
CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)NO)C2CCCCC2)cc1,0.0
CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)NO)c2ccccc2)cc1,0.0
COC(=O)[C@]1(c2cccc(OCC3CCCCC3)c2)C[C@H]1C(=O)NO,0.0
Cc1ncccc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)NO)cc1,0.0
CC#CCOc1ccc(S[C@@H](C(=O)NO)c2ccc(OC)cc2)cc1,0.0
O=C1NC(=O)[C@](CN2Cc3cc(OCCC4CCCCC4)ccc3C2=O)(c2ccc(F)cc2)N1,0.0
COc1ccc(S(=O)(=O)[C@@](CC=C(C)C)(Cc2cccnc2)C(=O)NO)cc1,0.0
C[C@H](C(=O)NO)N1CC[C@@](C)(c2ccc(Oc3ccccc3)cc2)C1=O,0.0
C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1,0.0
NC(=O)c1cn([C@@H](CO)CCc2cccc3ccccc23)cn1,0.0
COC(=O)c1ccc2ccccc2c1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
OC[C@@H]1O[C@H](n2cnc3c2N=CCC[C@H]3O)[C@@H](O)[C@H]1O,0.0
CCCc1ccccc1C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(C(N)=O)c1,0.0
C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
OC[C@H]1O[C@@H](n2cnc3c2NC=[NH+]C[C@H]3O)[C@H](O)[C@@H]1O,0.0
C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
COC(=O)c1cccc(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
COC(=O)c1ccc(C)c(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
COC(=O)c1c(F)cccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
Cc1ccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)cc1,0.0
Nc1cc[nH+]c2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0.0
Cc1ccccc1CCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
CCc1cccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)c1,0.0
COC(=O)c1ccc(C)cc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
OC[C@H]1O[C@H](n2cnc3c2NC=[NH+]C[C@H]3O)C[C@H]1O,0.0
COC(=O)c1ccccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
COC(=O)c1cc(C)ccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
CC1=[NH+]C[C@@H](O)c2ncn([C@H]3C[C@@H](O)[C@@H](CO)O3)c2N1,0.0
CCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1,0.0
OC[C@H]1O[C@H](n2cnc3c(NO)ccnc32)C[C@H]1O,0.0
Nc1cc[nH+]c2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO)O1,0.0
CCC1=[NH+]C[C@@H](O)c2ncn([C@H]3C[C@@H](O)[C@@H](CO)O3)c2N1,0.0
Cc1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)c1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc32)cn1,0.0
CCCCCC[C@H]([C@H](C)O)N1N=C[C@@H]2C(N)=[NH+]C=N[C@@H]21,0.0
COC(=O)CCCCCCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
CCCCCC[C@H]([C@H](C)O)[N@+]1([O-])C=Nc2c(N)ncnc21,0.0
CNc1cc[nH+]c2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO)O1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4ccccc4)cc32)cn1,0.0
CCC/C=C\C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
Cn1c(CCC(=O)Nc2ccc3ccn(CC[C@H](CO)n4cnc(C(N)=O)c4)c3c2)nc2ccccc21,0.0
CCC/C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
CCOC(=O)CCCCCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
COC(=O)c1ccc(OC)c(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
CCCCCCCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
CCCCCC[C@H]([C@H](C)O)n1cc2c(N)ncnc2n1,0.0
CCCCCC[C@H]([C@H](C)O)n1c(O)nc2c(N)ncnc21,0.0
CCCCOC[C@@H]([C@@H](C)O)n1cnc2c(N)ncnc21,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCCC[C@@H]3C3CCCCC3)c2s1,0.0
O=C(Cc1ccc2ccccc2c1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1,0.0
Cc1onc(-c2ccccc2)c1C[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12,0.0
O=C(Cc1cc2ccccc2c[nH+]1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCC[C@@H]3C3CCCCC3)c2s1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@H]3CCCc4ccccc43)c2s1,0.0
O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1,0.0
O=C(C[C@H]1C=Nc2ccccc21)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
O=C(Cc1nc2ccccc2o1)Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1,0.0
C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)c1ccc2ccccc2c1,0.0
O[C@H](C[NH2+]Cc1ccccc1F)COc1cccc2[nH]ccc12,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)OCc1nc2ccccc2[nH]1,0.0
CC(C)[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c12,0.0
O=C([O-])c1ccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)nc1,0.0
O=C(Cc1ccccn1)Nc1ccc(CC[NH2+]C[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1,0.0
O=C1c2cccc3cccc(c23)C(=O)N1[C@H]1CC[N@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1,0.0
O[C@@H](C[NH2+]CCOc1ccc(-c2csc(-c3cccnc3)n2)cc1)c1cccnc1,0.0
CCc1cc2c(cc1CC)CC([NH2+]C[C@H](O)c1ccc([O-])c3[nH]c(=O)ccc13)C2,0.0
O=C(Cc1cccc2ccccc12)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
O=C(Cc1[nH+]ccn1-c1ccccc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1,0.0
O[C@@H](C[NH2+]CCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1,0.0
O[C@@H](C[NH2+]CCc1ccc(Nc2ccccc2)cc1)COc1ccccc1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]C3CCCCCC3)c2s1,0.0
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CCC(=O)N2,0.0
COc1ccc(CC(C)(C)[NH2+]C[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1,0.0
O=C([O-])c1ccc(-c2ccc(OCC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1OC1CCCCC1,0.0
CC(C)[NH2+][C@@H]1CCc2c(ccc(O)c2O)[C@H]1O,0.0
O=S(=O)(Nc1ccccc1)c1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2)cc1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCCC[C@H]3OCc3ccccc3)c2s1,0.0
O=S(=O)(CCc1ccccc1)[N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
CO[C@]12CCCCC[C@@H]1c1ccccc1/C2=N/OC[C@H](O)C[NH2+]C(C)(C)C,0.0
O=C([O-])c1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1,0.0
CC(C)(C)[NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21,0.0
COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(NC=O)c2)cc1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2cccnc2)cc1)c1ccc(Cl)c(Cl)c1,0.0
C[C@H](Cc1cccc(Oc2cccc(C(=O)[O-])c2)c1)[NH2+]C[C@H](O)c1cccc(Cl)c1,0.0
COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c12,0.0
C[C@H](CCCCNC(=O)OCc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1,0.0
O=C([O-])c1ccc(Oc2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)nc1,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1ccc2ccccc2c1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCCC[C@@H]3C3CCCCC3)c2s1,0.0
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1cnc2ccccc2c1,0.0
Cc1onc(-c2ccccc2)c1C[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCC[C@@H]3C3CCCCC3)c2s1,0.0
O[C@H](CNc1ccccc1-c1ccccc1)CON=C(C1CC1)C1CC1,0.0
C[C@H](Cc1cccc2ccccc12)[NH2+]C[C@H](O)c1cc(O)cc(O)c1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCCc4ccccc43)c2s1,0.0
O=c1ccc2c([C@@H](O)C[NH2+]C3Cc4ccccc4C3)ccc([O-])c2[nH]1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCC[C@@H]3C3CCCC3)c2s1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2cccnc2)cc1)c1cnc2ccccc2c1,0.0
C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)c1ccc2ccccc2c1,0.0
O[C@H](C[NH2+]Cc1ccccc1F)COc1cccc2[nH]ccc12,0.0
CC(C)[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c12,0.0
CC(C)Nc1cc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)ccc1C(=O)[O-],0.0
O=C1c2cccc3cccc(c23)C(=O)N1[C@H]1CC[N@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1,0.0
O[C@@H](C[NH2+]CCOc1ccc(-c2csc(-c3ccccc3)n2)cc1)c1cccnc1,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1cccc(-c2ccccc2)c1,0.0
O[C@@H](C[NH2+]CCc1ccc(Nc2ccccc2)cc1)COc1ccccc1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]C3CCCCCC3)c2s1,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1cccc2ccnn12,0.0
CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)c2cccnc2)cc1)c1cccc(-c2ncc[nH]2)c1,0.0
COc1ccc(CC(C)(C)[NH2+]C[C@H](O)COc2cccc3[nH]c(=O)[nH]c23)cc1,0.0
CC(C)[NH2+][C@@H]1CCc2c(ccc(O)c2O)[C@H]1O,0.0
O=S(=O)(Nc1ccccc1)c1ccc(CC[NH2+]C[C@@H](O)COc2ccccc2)cc1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCCC[C@H]3OCc3ccccc3)c2s1,0.0
O=S(=O)(CCc1ccccc1)[N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
CC(C)(Cc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2,0.0
Nc1ccc(OC[C@@H](O)C[NH2+]CCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cn1,0.0
CC(C)(C)[NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21,0.0
COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(NC=O)c2)cc1,0.0
O=S(=O)(CCCc1ccccc1)[N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
CO[C@]12CCCC[C@@H]1c1ccccc1/C2=N/OC[C@H](O)C[NH2+]C(C)(C)C,0.0
Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(-n2ccnc2)cc1,0.0
C[C@H](CCCCNC(=O)OCc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1,0.0
C[C@H](CCCCCNC(=O)OCc1ccccc1)[NH2+]C[C@@H](O)c1ccc(O)c(O)c1,0.0
O=S(=O)(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1)c1ccccc1,0.0
O=C(Nc1ccccc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1,0.0
CC(C)(Cc1ccccc1)[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12,0.0
O=S(=O)(Cc1ccccc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1ccc[nH]1,0.0
[NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
Clc1c[nH]c2ncnc(N3CCC4(CC[NH2+]CC4)C3)c12,0.0
[NH3+][C@H](CNc1nnc(-c2ccc3cnccc3c2)o1)Cc1ccc(C(F)(F)F)cc1,0.0
[NH3+][C@H](CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1n[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)C(F)(F)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
Cc1c[nH]c2ncnc(N3CC[C@H](NS(=O)(=O)c4ccccc4)C3)c12,0.0
[NH3+][C@H](COc1cncc(-c2cnc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)c1ccccc1,0.0
CCc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,0.0
Cc1c[nH]c2ncnc(N3CC[C@H](NC(=O)Nc4ccccc4)C3)c12,0.0
CCn1c(-c2nonc2N)nc2cncc(C(=O)N[C@@H]3CCC[NH2+]C3)c21,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cnc2ccccc2c1,0.0
[NH3+][C@H](COc1cncc(-c2ccncc2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccc2ccccc2c1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccccc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3nnccc3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](CNc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)OCO5)c3)cc12,0.0
Cc1n[nH]c2ccc(-c3cncc(SC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,0.0
[NH3+][C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,0.0
CCn1c(-c2nonc2N)nc2cncc(CNC3CC[NH2+]CC3)c21,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)C(=O)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[C@@H]([NH3+])C3)c21,0.0
[NH3+][C@H](COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](CNc1ncc(-c2ccc3cn[nH]c3c2)s1)Cc1ccc(C(F)(F)F)cc1,0.0
[NH3+][C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1ccc2ccccc2c1,0.0
Cc1n[nH]c2ccc(-c3cncc(OCC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3ncccc3c2)c1)Cc1c[nH]c2ccccc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])c4ccccc4)c3)cc12,0.0
[NH3+][C@H](CNc1cncc(Oc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12,0.0
Cc1c[nH]c2ncnc(N3CC[C@@]([NH3+])(CNC=O)C3)c12,0.0
[NH3+][C@H](COc1cnc2ccc(-c3ccncc3)cc2c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(CCc2ccncc2)c1)Cc1c[nH]c2ccccc12,0.0
Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)c3)cc12,0.0
[NH3+]C[C@H](NCc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,0.0
[NH3+][C@H](CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+]C1(c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
[NH3+]CC1(c2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,0.0
[NH3+]C1(c2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)CC1,0.0
[NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,0.0
[NH3+][C@H](Cc1ccccc1)c1ccc(-c2ncnc3nc[nH]c23)cc1,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CC[NH+]2CCCCC2)c[nH]1,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCc3ccncc3)c[nH]1)C(=O)N2,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCC[NH+]3CCCCC3)c[nH]1)C(=O)N2,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCN3CCOCC3)c[nH]1)C(=O)N2,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCc3c[nH+]c[nH]3)c[nH]1)C(=O)N2,0.0
[NH3+]C[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,0.0
[NH3+][C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,0.0
CCn1c(-c2nonc2N)nc2cncc(CNC3CC[NH2+]CC3)c21,0.0
[NH3+]CC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)C[NH3+])c[nH]1,0.0
[NH3+]C1(Cc2ccc(Cl)cc2Cl)CCN(c2ncnc3nc([O-])[nH]c23)CC1,0.0
C#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,0.0
[NH3+]CC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)CC1,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccnc3)c[nH]1)C(=O)N2,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C[NH3+])c3)c[nH]1)C(=O)N2,0.0
[NH3+]C1CCN(c2ccnc3[nH]ccc23)CC1,0.0
[NH3+]C1CCN(c2ncnc3[nH]ccc23)CC1,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)c2cccnc2)c[nH]1,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)c2ccncc2)c[nH]1,0.0
[NH3+]C1CCN(c2ncnc3[nH]ncc23)CC1,0.0
NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,0.0
O=S(=O)(NCC[NH2+]CCOCc1ccc(Cl)cc1)c1cccc2cnccc12,0.0
NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
[NH3+]C1(COCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
Clc1ccc(C2(c3ccc(-c4ncnc5nc[nH]c45)cc3)CC[NH2+]CC2)cc1,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C(=O)NCC[NH+]4CCCCC4)c3)c[nH]1)C(=O)N2,0.0
NC1(C(=O)N2CCc3ccccc3C2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
NS(=O)(=O)c1cccc2cnccc12,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)[C@H]2CC[N@H+](C)CC2)c[nH]1,0.0
[NH3+]C1(Cc2ccc3ccccc3c2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
[NH3+]C1(CNC(=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
O=C1c2cccn2[C@@]2(CC([O-])=NC2=O)C(=O)N1CCc1ccccc1,0.0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21,0.0
O=C([O-])Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1,0.0
O=C([O-])Cn1cc(CCc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21,0.0
O=C([O-])Cc1nn(Cc2ncc(-c3ccccc3)o2)c(=O)c2ccccc12,0.0
Cc1ccccc1-c1noc(Cn2nc(CC(=O)[O-])c3ccccc3c2=O)n1,0.0
O=C([O-])CN1C(=O)S/C(=C\c2cc3ccccc3cc2Cl)C1=O,0.0
Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)sc2ccc(Cl)cc12,0.0
O=S(=O)(c1ccc2ccccc2c1)c1ccc([O-])nn1,0.0
O=C([O-])Cc1nn(Cc2nc(-c3ccccn3)no2)c(=O)c2ccccc12,0.0
O=c1ccc(S(=O)(=O)c2cc3cc(Cl)cc(Cl)c3[nH]2)n[nH]1,0.0
Cc1c(CC(=O)[O-])nn(Cc2nc(-c3cccc(F)c3F)no2)c(=O)c1C,0.0
O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)[N-]c2ccc(F)cc2)N1,0.0
Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(F)cc12,0.0
C[C@@H](C(=O)[O-])c1cc(O)c2c(c1)CCc1ccccc1C2=O,0.0
O=C([O-])CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1,0.0
C[C@@H]1C[C@@](O)(CC(=O)[O-])c2cc(Cl)c3ccccc3c2O1,0.0
O=C([O-])Cc1cc(=O)oc2c1ccc1ccccc12,0.0
O=C([O-])Cc1nn(Cc2csc(-c3ccccc3F)n2)c(=O)c2ccccc12,0.0
O=c1ccc(S(=O)(=O)c2nc3ccccc3s2)n[nH]1,0.0
O=C([O-])Cc1ccc2c(c1)OCc1ccccc1C2=O,0.0
O=C([O-])COc1cc(Cl)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1,0.0
O=C([O-])COc1cc(F)ccc1C(=O)NCc1nc2c(F)c(F)cc(F)c2s1,0.0
O=C([O-])Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(Cc2cc(-c3ccccc3)ns2)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(CCc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12,0.0
O=S(=O)(Cc1c(F)cccc1Cl)c1ccc([O-])nn1,0.0
O=C([O-])Cc1nn(Cc2nc(-c3ccccc3)cs2)c(=O)c2ccccc12,0.0
O=C([O-])CN(Cc1ccccc1)C(=S)CCc1nc2c(F)c(F)cc(F)c2s1,0.0
O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)NCc2ccccc2)N1,0.0
O=C([O-])Cc1nn(Cc2ccc(Br)cc2F)c(=O)c2ncccc12,0.0
O=C([O-])CN(C(=O)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1,0.0
O=C([O-])Cc1nn(Cc2nc3cc(F)cc(F)c3s2)c(=O)c2c1CCCC2,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@@H](Cc1ccc(O)cc1)C(=O)[O-])C2=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1ccc(O)cc1)C(=O)[O-])C2=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1ccccc1)C(=O)[O-])C2=O,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1[NH+]1CCCCC1,0.0
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)s2)cc1,0.0
O=C([O-])[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0.0
CC(C)C[C@H](C(=O)[O-])N1C(=O)c2ccc(C(=O)[O-])cc2C1=O,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1c[nH]c3ccccc13)C(=O)[O-])C2=O,0.0
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1,0.0
O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)cc1,0.0
O=C([O-])c1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c(O)c1,0.0
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1Cl,0.0
Cc1ccoc1C(=O)Nc1ccccc1C(=O)[O-],0.0
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1[N+](=O)[O-],0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1,0.0
CSCC[C@H](C(=O)[O-])N1C(=O)c2ccc(C(=O)[O-])cc2C1=O,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)cc1,0.0
O=C([O-])c1sccc1NS(=O)(=O)c1ccc(Cl)cc1,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@H](Cc1cccc3ccccc13)C(=O)[O-])C2=O,0.0
O=C([O-])C[C@@H](Cc1cccc2ccccc12)N1C(=O)c2ccc(C(=O)[O-])cc2C1=O,0.0
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1,0.0
O=C([O-])[C@H]1CC(=O)N(c2ccccc2O)C1,0.0
O=C([O-])c1sccc1S(=O)(=O)NCc1ccccc1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Br)cc1,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@@H](Cc1cn[nH]n1)Cc1cccc3ccccc13)C2=O,0.0
O=C([O-])CCSc1nc2ccccc2s1,0.0
NS(=O)(=O)c1ccccc1C(=O)[O-],0.0
CC(=O)Nc1sccc1C(=O)[O-],0.0
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@@H](O)CC[C@@H]12,0.0
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0.0
C[C@]12C=CC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@]2(C)[C@H](O)CC[C@@H]12,0.0
O=c1cc(C(F)(F)F)c2c(ccc3c2oc(=O)c2cccc(O)c23)[nH]1,0.0
C=C1C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,0.0
C[C@@]12CC[C@@H]3[C@H](CCC4=CC(=O)CC[C@H]43)[C@H]1CC[C@@]21CCCO1,0.0
C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43/C=C\F)[C@@H]1CC[C@@H]2O,0.0
C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@]43CC[C@@H]5O)[C@@H]1CC[C@@H]2O,0.0
C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3C=C[C@@]21C,0.0
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0.0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,0.0
CN1C(=O)CC[C@@]2(C)C1=CC[C@@H]1[C@H]3CC[C@H](O)[C@]3(C)CC[C@H]12,0.0
Cn1c2c(c3ccc(O)cc31)CCCc1ccccc1-2,0.0
O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1,0.0
CC1(C)C=CC2=C[C@H]3C(C(F)(F)F)=CC(=O)N[C@H]3CC2=N1,0.0
O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)-c1ccccc1CO3,0.0
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@@]43CCO5)[C@@H]1CC[C@@H]2O,0.0
C[C@]12CCCN1c1cc3[nH]c(=O)cc(C(F)(F)F)c3cc1CC2,0.0
Cn1c2c(c3ccc(O)cc31)CCc1ccccc1-2,0.0
CN1C(=O)CC[C@]2(C)[C@H]3CC[C@]4(C)[C@H](CC[C@@]45CCCO5)[C@@H]3CC[C@@H]12,0.0
O=C1[C@@H]2[C@H](C(=O)N1c1ccc(O)c3ncccc13)[C@H]1C=C[C@@H]2C1,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NC[C@H]1CCCC[C@H]31,0.0
O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])c3ccccc13)[C@H]1C=C[C@@H]2C1,0.0
C[C@]1(O)CC[C@@H]2[C@@H]3CCC4=CC(=O)CC[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]21C,0.0
CN1C(=O)CC[C@]2(C)[C@H]3CC[C@@]4(C)[C@@H](CC[C@@]45CCC(=O)O5)[C@@H]3CC[C@@H]12,0.0
O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])c3ccccc13)[C@H]1C=C[C@@H]2CC1,0.0
O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OC[C@H]1CCCN31,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3Cc1ccccc1,0.0
O=C1C=C(C(F)(F)F)[C@@H]2C/C(=N/C3CCCC3)C=C[C@@H]2N1,0.0
O=C1C=C(C(F)(F)F)[C@@H]2C=C(N(Cc3ccccc3)CC(F)(F)F)C=C[C@@H]2N1,0.0
O=C1[C@@H]2[C@@H]3CCC[C@@H](CC3)[C@@H]2C(=O)N1c1cccc(C(F)(F)F)c1,0.0
O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc2ccccc2c1,0.0
Cn1c2c(c3cc(O)ccc31)CCc1cnccc1-2,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)N[C@@H]1CCCC[C@H]31,0.0
O=C1[C@@H]2[C@@H]3C=C[C@@H]([C@H]4C[C@@H]34)[C@@H]2C(=O)N1c1ccc([N+](=O)[O-])c2ccccc12,0.0
Cc1cc2c(nn1)-c1cc(OCc3ccccc3)ccc1C2=O,0.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,0.0
C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C,0.0
Cc1c(C)c2ccc(OCc3ccc(F)cc3)cc2oc1=O,0.0
O=C1Nc2cc(/C=C/c3ccccc3)ccc2C1=O,0.0
CN(CCc1ccccc1)C(=O)c1cc2ccccc2n1C,0.0
O=C1c2ccccc2-c2nnc(-c3cccc([N+](=O)[O-])c3)nc21,0.0
O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O,0.0
Cc1c(C)c2ccc(OCc3cc(C4CC4)on3)cc2oc1=O,0.0
O=C(NC1CCCCC1)c1cc2ccccc2oc1=O,0.0
C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCCC3,0.0
Cc1c(C)c2ccc(OCc3nc(C(C)C)no3)cc2oc1=O,0.0
C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCC3,0.0
O=C1Nc2ccc(/C=C/c3ccccc3)cc2C1=O,0.0
Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O,0.0
Cc1c(C)c2ccc(OCc3ccccn3)cc2oc1=O,0.0
CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C,0.0
Cc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1,0.0
O=C(NCc1ccccc1)c1cc2ccccc2[nH]1,0.0
CC1(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)CCCCC1,0.0
COc1cccc(-c2cc3cc(C)ccc3oc2=O)c1,0.0
O=c1cc(-c2ccccc2)oc2cc(O)ccc12,0.0
O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O,0.0
NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12,0.0
C[C@@H](C1CCCCC1)[N@H+](C)Cc1cc2ccccc2[nH]1,0.0
c1ccc(COc2ccc([C@@H]3C[NH2+]CCS3)cc2)cc1,0.0
C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1,0.0
O=c1c(=O)c2ccc(OCCCC(F)(F)F)cc2c1=O,0.0
c1ccc(NCc2cc3ccccc3[nH]2)cc1,0.0
C(/C=C/c1ccccc1)=C\c1ccccc1,0.0
O=C1CCc2cc(OCCCC(F)(F)F)ccc21,0.0
COc1cccc(-c2cccc([C@@]3(C)CC(=O)N(C)C(N)=[NH+]3)c2)c1,0.0
CN1C(=[NH2+])N[C@](CCC2CCCCC2)(CC2CCCCC2)C1=O,0.0
CC(C)(C)c1cccc(C[NH2+]C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CN(Cc3cc(F)cc(F)c3)C(=O)N2)c1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-c3ccoc3)c2)CCCCC1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc([C@@H]3CCCO3)c2)CCCCC1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(C3CCCC3)c2)CCCCC1,0.0
O=C(Nc1ccncc1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc([C@@H]3CCOC3)c2)CCCCC1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc([C@]3(C)CCCO3)c2)CC1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(N3CCCC3=O)c2)CCCCC1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc([C@@H]3CCOCOC3)c2)CCCCC1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-n3cccn3)c2)CCCCC1,0.0
O=C(Nc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
O=C(Nc1nc2c[nH+]ccc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
CN1C(=O)[C@](c2ccncc2)(c2cccc(-c3cnccn3)c2)[NH+]=C1N,0.0
COCC(=O)Nc1cccc([C@@]2(C3CCCCC3)NC(=[NH2+])N(C)C2=O)c1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-c3cccs3)c2)CCCCC1,0.0
CC(C)c1cccc(C[NH2+]C[C@H](O)[C@H](Cc2ccccc2)NC(=O)[C@@H]2CCC[C@H](C(C)(C)N3CCCC3=O)C2)c1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(N3CCCCC3=O)c2)CCCCC1,0.0
CN(C)c1ccc(NC(=O)Nc2cc(C(F)(F)F)cc(C(F)(F)F)c2)cc1C(=O)NCCCN1CCOCC1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@]1(c2cccc(-n3cccn3)c2)CCCOC1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-c3ccsc3)c2)CCCCC1,0.0
CN1C(=O)[C@](c2ccncc2)(c2cccc(-c3ccsc3)c2)[NH+]=C1N,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-c3cscn3)c2)CCCCC1,0.0
CN1C(=O)[C@](c2ccncc2)(c2cccc(-c3ccoc3)c2)[NH+]=C1N,0.0
Nc1cccc(Cn2c(-c3ccc(Oc4cnccn4)cc3)ccc2-c2ccccc2Cl)n1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc([C@@H]3CCCC3=O)c2)CCCCC1,0.0
CCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2CC(=O)/N=C(/N)NCCCO)cc1,0.0
CN1C(=O)[C@@](c2ccncc2)(c2cccc(-c3cc(F)ccc3F)c2)[NH+]=C1N,0.0
CCCCNC(=O)NCc1ccc(CN2C(=[NH2+])N[C@@](CCC3CCCCC3)(CC3CCCCC3)C2=O)cc1,0.0
COc1cccc(C[NH2+]C[C@H](O)[C@H](Cc2cc(F)cc(F)c2)NC(=O)c2cccc(C(=O)N[C@@H](C)c3ccccc3)c2)c1,0.0
N/C(=N/C(=O)Cn1c(-c2ccccc2)ccc1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)NCCCO,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(C(C)(C)C)c2)CCCC1,0.0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)C3CC3)ccc12,0.0
CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccccc1NCc1ccncc1,0.0
CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1,0.0
Cc1c(Cc2ccc(F)cc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12,0.0
CNC(=O)c1cc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cnn2C)ccn1,0.0
Oc1cc(-c2[nH]cnc2-c2ccncc2)ccc1Cl,0.0
O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)Nc1cccc(C(F)(F)F)c1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(C2=[NH+]CCN2)c1,0.0
CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OCO4)n2)c1,0.0
CC(=O)Nc1cccc(-c2cncc(Nc3cc(Cl)nc(Cl)c3)n2)c1,0.0
CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2cnco2)n1,0.0
O=C(Nc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(Nc1ccc(Oc2ccnc(C(=O)Nc3cccnc3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)no1,0.0
Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,0.0
COC(=O)c1cnn2c(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)ccnc12,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1,0.0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)on1,0.0
Cn1ncc(-c2ccc3c(c2)CC/C3=N\O)c1-c1ccncc1,0.0
O=C(Nc1cccc(-c2ncnc3cc(-c4ccncc4)sc23)c1)c1cccc(C(F)(F)F)c1,0.0
CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,0.0
Oc1cc(-c2nc(-c3ccccc3)[nH]c2-c2ccncc2)ccc1Cl,0.0
O=C(Nc1ccc(Oc2ccnc(C(=O)NCCN3CCOCC3)c2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,0.0
C[NH+](C)CCOc1cc(-c2ccncc2)c(-c2ccc3c(c2)CC/C3=N\O)o1,0.0
Oc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccncn2)ccc1Cl,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2ccncn2)n1,0.0
Cn1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1,0.0
C[NH+](C)CCOC1=N[C@@H](c2ccncc2)C(c2ccc3c(c2)CC/C3=N\O)=C1,0.0
O=C(NCc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2cccnc2)n1,0.0
Cc1ccc(NC(=O)c2cccc(N(C)C)c2)cc1NC(=O)c1ccc(O)cc1,0.0
O=C(NC1CC1)c1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
Cc1nc(N2CCN(CCO)CC2)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)[nH+]1,0.0
C[C@@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@@H]3[C@@H]1CCC2=O,0.0
NS(=O)(=O)c1ccc(CNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,0.0
C[C@]12CC[C@@H]3c4ccc(OS(N)(=O)=O)cc4CC[C@@H]3[C@@H]1CC[C@@H]2OS(N)(=O)=O,0.0
NS(=O)(=O)c1nc2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,0.0
Cc1c(CCC2CCCCC2)c(=O)oc2cc(OS(N)(=O)=O)ccc12,0.0
NS(=O)(=O)c1ccc(NNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1nc2ccc(OCCOS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,0.0
NS(=O)(=O)c1ccc(CCOS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1ccc(CCNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,0.0
NS(=O)(=O)c1nc2ccc(OCCOC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,0.0
C[C@H](CCc1ccc(O)cc1)[NH2+]CCc1ccc(O)c(O)c1,0.0
NS(=O)(=O)c1ccc(NNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1ccc(CNS(=O)(=O)c2c(F)c(F)cc(F)c2F)cc1,0.0
NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,0.0
NS(=O)(=O)c1ccc(NC(=O)Cc2ccccc2)c(Cl)c1,0.0
NS(=O)(=O)c1ccc(COS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1[nH+]c2ccc([N-]S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,0.0
NS(=O)(=O)c1cc(S(N)(=O)=O)c(N2C(=O)c3cccnc3C2=O)cc1Cl,0.0
NS(=O)(=O)c1ccc(C(=O)NCC(=O)N[C@H](Cc2ccc3ccccc3c2)C(=O)[O-])cc1,0.0
NS(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1,0.0
Cn1[nH+]c(S([NH-])(=O)=O)s/c1=N\C(=O)c1cccc(C(=O)[O-])n1,0.0
NS(=O)(=O)c1ccc(CNCc2cc(=O)oc3cc(Cl)ccc23)cc1,0.0
NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(=O)[O-])n2)cc1,0.0
NS(=O)(=O)c1ccc(CONC(=O)c2cccc(C(=O)[O-])n2)cc1,0.0
NS(=O)(=O)c1ccc(CCNc2cc[nH+]cc2S(N)(=O)=O)cc1,0.0
NS(=O)(=O)c1nc2ccc(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,0.0
Cc1cc(C)[n+](-c2ccc(S(N)(=O)=O)cc2)c(C)c1C,0.0
NS(=O)(=O)c1ccc(C(=O)NCc2ccccc2)cc1,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@H]1c1cccc(O)c1,0.0
O=C1C(=O)N(CCc2ccccc2)C(=O)c2ccccc21,0.0
O=C(CCC(=O)N1CCCCC1)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0.0
O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC3)cc21,0.0
O=C(Nc1cccc2c1C(=O)C(=O)NC2=O)OCc1ccccc1,0.0
O=C1C(=O)N(Cc2ccccc2)c2ccc([N+](=O)[O-])cc21,0.0
O=C1NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C1=O,0.0
O=C1NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2C1=O,0.0
C=CCNC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0.0
FC(F)(F)c1ccc(-c2noc(-c3occc3Cl)n2)cc1,0.0
O=C1C(=O)N(Cc2ccccc2)C(=O)c2ccccc21,0.0
CC(=O)O[C@@H](C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1ccccc1,0.0
O=C(CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O)NCc1ccccc1,0.0
FC(F)(F)c1ccc(-c2noc(-c3sccc3Cl)n2)cn1,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CNc3ccccc3)cc2C1=O,0.0
O=C1NC(=O)c2cccc(NC(=O)C3CC3)c2C1=O,0.0
Clc1ccc(-c2noc(-c3sccc3Cl)n2)nc1,0.0
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C[C@H]1CO1,0.0
O=C1C(=O)N(Cc2cccc(F)n2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0.0
CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc2ccccc2c1,0.0
O=C([O-])CN(C(=O)CF)C(=O)[C@H]1CCCN1C(=O)OCc1ccccc1,0.0
CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1cccc2ccccc12,0.0
O=C1C(=O)N(Cc2ccnc(F)c2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0.0
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C(=O)N2C,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccncc3)cc2C1=O,0.0
CC(C)C[C@H](NC(=O)COc1ccccc1-c1ccccc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C[C@H](CC(=O)[O-])NC(=O)c1ccc(CNS(=O)(=O)c2cccc(-c3noc(=O)[nH]3)c2)nc1,0.0
CC(C)C[C@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)Cc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)[C@H](NC(=O)COc1cccc2ccccc12)C(=O)N[C@@H](CC(=O)[O-])C(=O)COc1ccc(-c2ccccc2)cc1,0.0
O=C1C(=O)N(Cc2ccc(F)nc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)cc21,0.0
O=C1C(=O)N(Cc2ccc(F)cc2)c2ccc(S(=O)(=O)N3CCC[C@H]3COc3ccncn3)cc21,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CSc3ccccc3)cc2C1=O,0.0
O=C[C@H](CC(=O)[O-])NC(=O)c1ccc(CNS(=O)(=O)c2cccc(-c3nnn[n-]3)c2)nc1,0.0
CC(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CCOc1cccc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O)c1,0.0
CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CSCc1ccccc1)n1ccnc(NC[C@@H]2COc3ccccc3O2)c1=O,0.0
O=C1NC(=O)c2c1c1c(ccc3cc[nH]c31)c1[nH]c3cc(O)ccc3c21,0.0
C=C(c1ccc2nc(N)c(C(=O)c3c(F)cccc3F)n2c1)c1c(F)cccc1F,0.0
NC(=O)Nc1cccc2c1C(=O)c1c(C3CCCCC3)n[nH]c1-2,0.0
Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=O)c1cccs1,0.0
Cc1ccc(-c2[nH]nc3c2C(=O)c2c(NC(N)=O)cccc2-3)s1,0.0
NC(=O)Nc1cccc2c1C(=O)c1c(-c3ccco3)n[nH]c1-2,0.0
O=C(Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12)C1CC1,0.0
O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CC2)[nH]n1,0.0
CC(=O)Nc1cccc2c1C(=O)c1c(-c3cccnc3)n[nH]c1-2,0.0
[NH3+][C@H](CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
NC(=O)Nc1cccc2c1C(=O)c1c(-c3cccs3)n[nH]c1-2,0.0
Nc1nc2ccc(C(=O)c3c(F)cccc3F)cn2c1C(=S)c1c(F)cccc1F,0.0
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2,0.0
NC(=O)Nc1cccc2c1C(=O)c1c(C3CC3)n[nH]c1-2,0.0
NC(=O)Nc1cccc2c1C(=O)c1c(-c3ccsc3)n[nH]c1-2,0.0
Clc1cccc(Nc2nccc(-n3cnc4ccccc43)n2)c1,0.0
O=[N+]([O-])c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1,0.0
Cn1ccc(-c2[nH]nc3c2C(=O)c2c(NC(N)=O)cccc2-3)c1,0.0
O=c1ccc2cnc(Nc3ccccc3)nc2n1C1CCCC1,0.0
O=C1NC(=O)C(c2ccccc2[N+](=O)[O-])=C1Nc1ccc(O)c(Cl)c1,0.0
CC(C)c1n[nH]c2c1C(=O)c1c(NC(N)=O)cccc1-2,0.0
[NH3+][C@H](CNc1nnc(-c2ccc3cnccc3c2)o1)Cc1ccc(C(F)(F)F)cc1,0.0
[NH3+][C@H](CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
O[C@H]1CC[C@H](c2n[nH]cc2-c2ccnc(NC3CCCC3)n2)CC1,0.0
Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,0.0
NC(=O)c1nn(CCC[NH3+])c2c1CCc1cnc(Nc3ccccc3)nc1-2,0.0
O=C(Nc1ncnc2oc(-c3cccnc3)cc12)C1CC1,0.0
NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1,0.0
O=C(Cc1cccc2ccccc12)Nc1cc(C2CC2)[nH]n1,0.0
c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c2c1,0.0
Oc1ccc2cnc(Nc3ccc(N4CCOCC4)cc3)nc2c1C1CCCC1,0.0
O=C(NCC1CC1)c1n[nH]cc1NC(=O)c1c(F)cccc1F,0.0
O=C(Nc1n[nH]c2cc(-c3ccc[nH]3)ccc12)C1CC1,0.0
Nc1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)[nH]n2)cc1,0.0
O=C1Nc2ccc([N+](=O)[O-])cc2/C1=C1/Nc2ccc(F)cc2/C1=N/O,0.0
O=C(Cc1ccccc1)Nc1ncc(C2CCC2)s1,0.0
O=C(/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1,0.0
O=C(CCCc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],0.0
O=C(OCc1ccccc1)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
O=C(Cc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],0.0
O=C(N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1,0.0
CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
O=C(Cc1ccccc1)c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
CCCC(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
O=C(OCc1coc(=O)o1)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CN(C)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
CC(C)OC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CCCCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
O=C(NCCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1,0.0
CC(=O)C(=Cc1cc(O)c(O)c([N+](=O)[O-])c1)C(C)=O,0.0
CCCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
O=C([O-])CCCCc1cc(O)c(O)c([N+](=O)[O-])c1,0.0
CC(C)C(=O)O[C@H](C)OC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CC(=O)/C(C)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
CC(C)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
COC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CCOC(=O)/C(C#N)=C/c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
CCCC(=O)O[C@H](C)OC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
O=C([O-])c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CCCNC(=O)c1cc(O)c(O)c(O)c1,0.0
N#Cc1cc(C(=O)N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc(O)c1O,0.0
N#CC(C#N)=Cc1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
O=C([O-])c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
CC(=O)c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
O=[N+]([O-])c1cc(CO)cc(O)c1O,0.0
O=Cc1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
O=[N+]([O-])c1cc(Cl)cc(O)c1O,0.0
O=[N+]([O-])c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
N#Cc1cc(C=O)cc(O)c1[O-],0.0
O=C(CCc1ccc2c(ccc3[nH]ncc32)c1)Nc1ccccc1C(=O)[O-],0.0
Oc1ccc(-c2cc(-c3cccc(O)c3)cs2)cc1,0.0
Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1,0.0
CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl,0.0
C[C@@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1ccccc1,0.0
CC[C@H](c1ccccc1)c1c(OC)oc2ccccc2c1=O,0.0
CCc1oc2ccccc2c1C(=O)c1cc(C)c(O)c(C)c1,0.0
C[C@H](O)C[C@H](c1ccccc1)c1c([O-])oc2ccccc2c1=O,0.0
O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1,0.0
c1ccc(COc2ccc(-n3ccnc3)cc2)nc1,0.0
O=C(NCc1ccncc1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F,0.0
O=C(CCc1ccc(-c2ccc(O)cc2Cl)cc1)Nc1ccccc1C(=O)[O-],0.0
O=C(NCc1ccccc1OC(F)(F)F)N1CC[C@@H](c2ccncc2)C1,0.0
Cc1n[nH]c2cc(N(C)c3cc[nH+]c(Nc4cccc(S(N)(=O)=O)c4)n3)ccc12,0.0
c1ccc(CCCOc2ccc(-n3ccnc3)cc2)nc1,0.0
c1cncc(CCCOc2ccc(-n3ccnc3)cc2)c1,0.0
CCCCOc1ccc(-c2ccncc2)cc1,0.0
c1cc(CCCOc2ccc(-n3ccnc3)cc2)ccn1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cc[nH+]c(NCCO)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
COC(=O)C1=C(Cn2cccn2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl,0.0
COC(=O)C1=C(Cn2cncn2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl,0.0
[NH3+]Cc1ccc(-c2ccccc2)s1,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(N[C@H](CO)Cc4ccccc4)cc[nH]c3=O)nc12,0.0
CCCCOc1ccc(-c2ccns2)cc1,0.0
CCCCOc1ccc(-c2cnco2)cc1,0.0
CCCCOc1ccc(-n2ccnc2)cc1,0.0
COc1ccc(Cc2cc3cc(OC)ccc3cc2-c2cccnc2)cc1,0.0
SCc1ccc(-c2cccnc2)o1,0.0
Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1O,0.0
Oc1cccc(-c2ccc(Cc3ccncc3)cc2)c1,0.0
CC(C)=C(c1ccncc1)c1ccc(-c2ccc(O)c(O)c2)cc1,0.0
CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl,0.0
FC(F)(F)c1ccccc1-c1cccc(-c2c[nH]cn2)c1,0.0
C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@@H](CC2CC2)S1(=O)=O,0.0
Cc1c(C)n(C[C@H]2C[C@@H]2C)c2c(OCc3ccc(F)cc3)nncc12,0.0
Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl,0.0
Clc1ccc(Cn2cc(-c3ccncc3)cn2)c(Cl)c1,0.0
[O-]c1ccc(Cc2cc(Cc3cccc(Cl)c3)c3occc3c2)nn1,0.0
Oc1cccc(-c2cnc(-c3cccc(O)c3)s2)c1,0.0
CC(C)C[C@@H]1n2cncc2CN(Cc2ccc(Cl)cc2)S1(=O)=O,0.0
O=C(c1cccc(Cl)c1)c1cc(Cc2ccc([O-])nn2)cc2ccoc12,0.0
c1ccc(COc2ccc(-n3ccnc3)cc2)nc1,0.0
O=C(NCc1ccncc1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F,0.0
C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@@H](CC2(C)COC2)S1(=O)=O,0.0
CC[C@@H]1CO[C@](Cn2cncn2)(c2ccc(Cl)cc2Cl)O1,0.0
N[C@@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1,0.0
Clc1ccc(CO[C@H](Cn2cc[nH+]c2)c2ccc(Cl)cc2Cl)c(Cl)c1,0.0
c1ccc(CCCOc2ccc(-n3ccnc3)cc2)nc1,0.0
c1cncc(CCCOc2ccc(-n3ccnc3)cc2)c1,0.0
c1cc(CCCOc2ccc(-n3ccnc3)cc2)ccn1,0.0
Cc1cccc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
CCCCOc1ccc(-n2cncc2C)cc1,0.0
CCCCOc1ccc(-c2c[nH]c[nH+]2)cc1,0.0
COC(=O)C1=C(Cn2cncn2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl,0.0
Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
C[C@@H](c1ccc(Cl)cc1)N1Cc2cncn2[C@@H](C[C@H](O)c2ccccc2)S1(=O)=O,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1ccccc1,0.0
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2ccncc2c1,0.0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1,0.0
Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,0.0
COc1cc2ncnc(N(C)c3cccc(C)c3)c2cc1OC,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ncccc3[O-])cc2)no1,0.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2c(N)noc2c1,0.0
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,0.0
O=C(Nc1ccccc1N1CCCCC1)c1ccno1,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1cccc2[nH]ncc12,0.0
O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12,0.0
C[NH+]1CCN(c2ccccc2NC(=O)c2ccc([N+](=O)[O-])o2)CC1,0.0
Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,0.0
CCc1ccc(-c2c(-c3cnc(C)[nH]3)c(=O)[nH]c3ccc(Cl)cc23)cc1,0.0
Cc1ccc(NC(=O)c2ccc(CN3CC[NH+](C)CC3)cc2)cc1-c1ccc2ccncc2c1,0.0
Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)ccc3[nH]c2=O)[nH]n1,0.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2c1Nc1ccccc1,0.0
O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,0.0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,0.0
Cc1cc(-c2c(C3CCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1,0.0
CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,0.0
O=c1[nH]c2ccc(Cl)cc2c(-c2ccccc2)c1-c1ccc[nH]1,0.0
Cc1cc(-c2c(-c3ccccc3)c3cc(Cl)ncc3[nH]c2=O)on1,0.0
C[NH+]1CCN(Cc2ccc3c(c2)Cc2c(-c4csc(C#CCOc5ccccc5)c4)n[nH]c2-3)CC1,0.0
Cc1nc(N2CCN(CCO)CC2)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)[nH+]1,0.0
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCC[NH2+]C1CC1,0.0
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH+][nH]c(N)c34)cc2)c1,0.0
[NH3+]C/C=C\CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]C/C=C/CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
CN(Cc1nc2ccccc2n1CCC[NH3+])[C@@H]1CCCc2cccnc21,0.0
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,0.0
N#CCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]Cc1ccccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(NC1CCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
CN(/C(=[NH+]/C1CCCCC1)SCc1csc2[n+]1CCN2)C1CCCCC1,0.0
c1sc2[n+](c1CS/C(NC1CCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
C[NH2+]CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
C[NH+](C)CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
CCCCCCN/C(=[NH+]/C1CCCCC1)SCc1csc2[n+]1CCN2,0.0
CC1(C)C[n+]2c(CS/C(NC3CCCCC3)=[NH+]\C3CCCCC3)csc2N1,0.0
CN(Cc1[nH+]cc2ccccc2c1CCC[NH+](C)C)[C@H]1CCCc2cccnc21,0.0
CC(C)[N@@H+]1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1,0.0
c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1,0.0
c1sc2[n+](c1CS/C(NC1CCCC1)=[NH+]\C1CCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCCCC1)=[NH+]\C1CCCCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
[NH3+]Cc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)cc1,0.0
c1sc2[n+](c1CS/C(N[C@H]1[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]1C4)=[NH+]\C1CCCCC1)CCN2,0.0
CN(Cc1nc2ccccc2n1[C@H]1CC[N@H+](C)CC1)[C@@H]1CCCc2cccnc21,0.0
c1ccc(C[NH2+]Cc2ccc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)cc2)nc1,0.0
c1sc2[n+](c1CS/C(N[C@]13C[C@H]4C[C@H](C[C@H](C4)C1)C3)=[NH+]\C1CCCCC1)CCN2,0.0
CC(C)(C)[C@H]1CC[C@H](N/C(=[NH+]/C2CCCCC2)SCc2csc3[n+]2CCN3)CC1,0.0
CC1(C)C[n+]2c(CS/C(NC3CCCCCC3)=[NH+]\C3CCCCCC3)csc2N1,0.0
c1sc2[n+](c1CS/C(NC1CCCCCCC1)=[NH+]\C1CCCCCCC1)CCN2,0.0
c1cc2nc(c1)CCNCC[NH+](Cc1ccc(C[NH+]3CCNCCc4cccc(n4)CCNCC3)cc1)CCNCC2,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1F,0.0
O=C(C[C@H]1Sc2ccccc2NC1=O)NOCc1ccccc1,0.0
COc1cccc([C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)NO)c1,0.0
O=CN(O)C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
O=CN(O)C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
CCCC[C@H](CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1,0.0
O=C(CN1Cc2c(cccc2C(F)(F)F)NS1(=O)=O)NO,0.0
CCCC[C@H](C(=O)NO)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
O=C(C[C@@H]1Sc2ccccc2N(Cc2ccccc2)C1=O)NO,0.0
O=C(C[C@@H]1Sc2ccccc2N(CCc2ccccc2)C1=O)NO,0.0
O=C(C[C@@H]1Cc2ccccc2NC1=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2N(C[C@@H]2CCCCO2)C1=O)NO,0.0
O=C(C[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1)NO,0.0
O=C(C[C@H]1Sc2ccccc2N(CCC2CCCCC2)C1=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)Nc2cc(F)ccc2F)C1=O)NO,0.0
O=C(CN1Cc2c(Cl)cccc2NS1(=O)=O)NO,0.0
CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)N2CCCC2)C1=O)NO,0.0
CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
O=C(CN1Cc2c(Br)cccc2NS1(=O)=O)NO,0.0
CC(C)CCN1C(=O)[C@H](CC(=O)NO)Cc2ccccc21,0.0
CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)Nc2ccccn2)C1=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2NC1=O)NO,0.0
O=C(CN1Cc2c(Br)cccc2NC1=O)NO,0.0
O=C(C[C@@H]1Cc2ccccc2N(CC2CC2)C1=O)NO,0.0
O=C(CN1Cc2c(Cl)cccc2NC1=O)NO,0.0
CCCCCN1C(=O)[C@H](CC(=O)NO)Sc2ccccc21,0.0
O=C(C[C@H]1Sc2ccccc2N(CCC2OCCO2)C1=O)NO,0.0
CC(C)CCN1C(=O)[C@H](CC(=O)NO)Sc2ccccc21,0.0
O=C(CNO)Cc1c[nH]c2ccc(F)cc12,0.0
CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2[nH]1,0.0
O=CN(O)C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
O=C(CNO)Cc1cn(C(=O)OCc2ccccc2)c2ccc(Br)cc12,0.0
O=C(CNO)Cc1c[nH]c2ccc(Cl)cc12,0.0
O=C(C[C@H]1Sc2ccccc2N(CC2CCC2)C1=O)NO,0.0
Cn1c(-c2ccccc2C(F)(F)F)nnc1-c1ccccc1C(F)(F)F,0.0
Cc1cccc(C(C)(C)C(=O)N[C@@H]2[C@@H]3C[C@@H]4C[C@H]2C[C@@](O)(C4)C3)c1,0.0
C[C@H](NC1=NC(=O)[C@](C)(c2ccc(F)cc2)S1)c1ccc(F)cc1,0.0
O=C(N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2)C1([NH+]2CCCCC2)CC1,0.0
Cc1ccccc1C1(c2nnc3n2CCCCCC3)CCC1,0.0
C[C@H](NC1=NC(=O)[C@](C)(C2([O-])CCC2)S1)c1ccc(F)cc1,0.0
Cc1ccc(C2(c3nnc4n3CCCCCC4)CC2)cc1,0.0
FC(F)(F)c1cccnc1N1CCN(Cc2ccccc2)CC1,0.0
CC(C)(CC(=O)NC1CC1)CC(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](C(N)=O)(C3)C2,0.0
Fc1ccccc1C1(c2nnc3n2CCCCCC3)CCCC1,0.0
CN1C(C(=O)c2ccccc2)=C([O-])c2ccccc2S1(=O)=O,0.0
O=C(CCc1nnnn1-c1ccccc1)Cc1ccccc1,0.0
O=C(N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)[C@H]1CCCN1c1cccc[nH+]1,0.0
O=C1N=C(N[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)OC12CCCC2,0.0
Cc1ccccc1-n1nnnc1CCC(=O)c1ccccc1,0.0
O=C1N=C(NC2CCCCCCC2)OC12CCCC2,0.0
O=C(N1CCC2(CCCCC2)C1)C1(c2ccncc2)CC1,0.0
O=C(CCc1cnnn1C1CCCCC1)c1ccccc1,0.0
O=C(N1CCC2(CCCCC2)C1)C1(c2ccccc2)CC1,0.0
Cn1c(-c2ccccc2C(F)(F)F)nnc1-c1cccc2c1ccn2C,0.0
O=C(CSc1cnnn1-c1ccccc1)Cc1ccccc1,0.0
O=C1[C@H](Cc2ccccc2)CCN1C1CCCCC1,0.0
[NH3+][C@@H]1Cn2c([nH+]c3ccncc32)C[C@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@@H]1Cn2c(nc3cnccc32)C[C@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@@H]1Cn2c(nc3ncccc32)C[C@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1C[C@@H](N2Cc3ccccc3C2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1CN(c2ccn3cnnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1CN(c2cccnn2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1CN(c2ccncn2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1CN(CCc2ccncc2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1CN(c2ncccn2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](C(=O)N2Cc3ccccc3C2)C[NH2+]1,0.0
NC(=O)[C@@H]1Cc2ccccc2CN1C(=O)C[C@H]([NH3+])Cc1ccccc1F,0.0
[NH3+][C@@H](CC(=O)N1CCCCN1C(=O)c1ccccc1)Cc1cc(F)c(F)cc1F,0.0
C[C@@H]1C(=O)NCCN1C(=O)C[C@H]([NH3+])Cc1cc(F)ccc1F,0.0
[NH3+][C@@H](CC(=O)N1CCc2c(n[nH]c2C(F)(F)F)C1)Cc1cc(F)ccc1F,0.0
[NH3+][C@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CC[NH2+]C[C@H]1Cc1ccccc1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CCCNC(=O)[C@H]1CC(F)(F)F)Cc1cc(F)c(F)cc1F,0.0
NC(=O)c1cccc(OCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H]([NH3+])C2)c1,0.0
CCc1nnc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H]([NH3+])C3)nn12,0.0
Nc1ncnc2c1ncn2[C@@H]1O[C@H](CO)[C@@H](O)[C@@H]1O,0.0
N#C[C@@H]1CCCN1C(=O)/C(N)=C/C(=O)N1Cc2ccccc2C1,0.0
[NH3+][C@H]1CN(C(=O)c2ccc3ccccc3c2)C[C@H]1C(=O)N1CCCC1,0.0
[NH3+][C@H]1CN(c2ccc3ccccc3[nH+]2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](NC(=O)Nc2ccccc2)CN1,0.0
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](C(=O)N2CCCCC2)C[NH2+]1,0.0
[NH3+][C@H]1CN(C(=O)c2cc3ccccc3cn2)C[C@H]1C(=O)N1CCCC1,0.0
N#Cc1ccc(OC[C@@H]2CCCN2C(=O)C[C@H]([NH3+])Cc2cc(F)c(F)cc2F)nc1,0.0
[NH3+][C@H]1CN(c2cnc3cncnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H](CC(=O)N1CCC[C@H]1CNS(=O)(=O)C1CC1)Cc1cc(F)c(F)cc1F,0.0
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H]([NH2+]CCc2ccccc2)CN1,0.0
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](C(=O)N2CCC2)C[NH2+]1,0.0
[NH3+][C@@H](C(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1)C1CCCCC1,0.0
N#Cc1ccc(N2CC[C@H](c3cc(F)c(F)cc3F)[C@@H]([NH3+])C2)nc1,0.0
Cn1cnc2cc(C#N)c(-c3ccccc3Cl)c(C[NH3+])c21,0.0
Cc1noc(C(=O)C[C@H]([NH3+])Cc2cc(F)ccc2F)n1,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(C(F)(F)F)nc1)Cc1cc(F)c(F)cc1F,0.0
O=C1N(C[C@@H]2CCCC[NH2+]2)CCN1c1cccc(C(F)(F)F)c1,0.0
CCCN1CCO[C@@H]2c3cc4c(=O)[nH]ccc4cc3CC[C@H]21,0.0
CCC[N@H+](Cc1ccccc1)[C@@H]1CCc2c(F)cccc2C1,0.0
CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CCNC4=O,0.0
C[C@@H]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,0.0
O=C1Cc2c(cccc2N2CCN(Cc3ccccc3)CC2)N1,0.0
Oc1cccc(N2CCN(Cc3ccccc3)CC2)c1,0.0
CCN1CCO[C@@H]2c3cccc4[nH]cc(c34)C[C@H]21,0.0
Fc1ccc2c(CCC[N@H+]3CC[C@H](c4noc5cc(F)ccc54)CC3)noc2c1,0.0
Oc1ccc2c(c1O)-c1cccc3c1[C@@H](C2)[N@@H+](CC1CC1)CC3,0.0
Cc1[nH]c2ccccc2c1CCC[N@H+]1CC[C@H](c2noc3cc(F)ccc32)CC1,0.0
CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)CNC4=O,0.0
O[C@]1(c2ccc(Cl)cc2)C[C@H]2CC[C@@H](C1)[N@@H+]2Cc1csc2ccccc12,0.0
O=C1N(CC[NH+]2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1,0.0
Oc1ccc2c(c1)O[C@@H](C[NH2+]Cc1ccccc1)CO2,0.0
COc1cccc(C(=O)NCCCC[NH+]2CCN(c3cccc4ccccc34)CC2)c1,0.0
O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1cccc2ccccc12,0.0
CCC[N@H+](CCc1ccccc1)[C@@H]1CCc2ccc3[nH]ccc3c2C1,0.0
O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)c1ccnc2ccccc12,0.0
COc1cccc(C(=O)NCCCC[NH+]2CCN(c3nccc4ccccc34)CC2)c1,0.0
CCC[N@H+](CCc1ccsc1)[C@@H]1CCc2c(O)cccc2C1,0.0
O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@H](n2c(=O)[nH]c3cc(Cl)ccc32)CC1,0.0
O=C1Cc2c(cccc2OCC[NH2+]Cc2ccccc2)N1,0.0
O=C(CCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,0.0
CCC[N@H+](CCc1ccccc1)[C@@H]1CCc2ccc(O)cc2C1,0.0
O=C(CCC[N@H+]1CC[C@@]2(CCc3ccccc32)CC1)c1ccc(F)cc1,0.0
O=C(NCCCC[NH+]1CCN(c2cccc(Cl)c2Cl)CC1)C1c2ccccc2-c2ccccc21,0.0
O=C1c2ccccc2CN1CCCC[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1,0.0
O=C(CCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,0.0
FC(F)(F)c1nc2c(N3CCN(Cc4ccccc4)CC3)cccc2[nH]1,0.0
COc1ccccc1N1CC[NH+](CCCCNC(=O)[C@@H]2C[C@@H]2c2ccccc2)CC1,0.0
CCCN1CCO[C@H]2c3cc(O)ccc3[S@@](=O)C[C@@H]21,0.0
Clc1ccc(N2C[C@@H]3C[C@H]2CN3Cc2c[nH]c3ncccc23)cc1,0.0
Cc1c(CCc2cccc3ccccc23)cnc2[nH+]c(N)nc(N)c12,0.0
CCc1c(Sc2ccc3ccccc3c2)[nH]c2[nH+]c(N)nc(N)c12,0.0
Nc1nc(N)c2c(CSc3ccc4ccccc4c3)coc2[nH+]1,0.0
Cc1c(COC(=O)c2ccccc2)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2ccc3ccccc3c2)cnc2[nH+]c(N)nc(N)c12,0.0
CN(Cc1ccc2[nH+]c(N)nc(N)c2n1)c1cccc2ccccc12,0.0
Cc1c(CNc2cccc3ncccc23)cnc2[nH+]c(N)nc(N)c12,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(COc2cccc3ccccc23)c1,0.0
Cc1c(CNc2cnc3ccccc3c2)cnc2[nH+]c(N)nc(N)c12,0.0
Nc1nc(N)c2nc(CCc3cccc4ccccc34)cnc2n1,0.0
CN(Cc1cccc2c1CCCC2)c1ccc2[nH+]c(N)nc(N)c2c1,0.0
Cc1c(CNc2cccc3cnccc23)cnc2[nH+]c(N)nc(N)c12,0.0
CN(Cc1ccc2[nH+]c(N)nc(N)c2n1)c1ccc2ccccc2c1,0.0
COc1ccccc1[C@H](Cc1coc2[nH+]c(N)nc(N)c12)C1CC1,0.0
CCN(Cc1cccc2ccccc12)c1ccc2[nH+]c(N)nc(N)c2c1,0.0
Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1,0.0
COc1ccc(OC)c(C[C@@H]2CCc3[nH+]c(N)nc(N)c3C2)c1,0.0
CN(C[C@@H]1CCc2[nH+]c(N)nc(N)c2C1)c1cccc2ccccc12,0.0
[H]/N=C1\NC[C@@H](Cc2ccc(Cc3ccccc3)c(OC)c2)C(=[NH2+])N1,0.0
Nc1nc(N)c2nc(CSc3cccc4ccccc34)ccc2[nH+]1,0.0
Nc1nc(N)c2c(CCc3ccccc3)cccc2[nH+]1,0.0
Nc1nc(N)c2nc(CSc3ccc4ccccc4c3)ccc2[nH+]1,0.0
Nc1nc(N)c2cc(NCc3cccc4ccccc34)cnc2[nH+]1,0.0
Nc1nc(N)c2c(OCc3ccccc3F)cccc2[nH+]1,0.0
Nc1nc(N)c2nc(CSc3ccccc3)ccc2[nH+]1,0.0
Nc1nc(N)c2c(COc3ccccc3F)cccc2[nH+]1,0.0
Cc1c(CNc2ccc3ncccc3c2)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CSc2cccc3ccccc23)cnc2nc(N)nc(N)c12,0.0
Nc1nc(N)c2cc(C(=O)OCc3ccccc3)ccc2[nH+]1,0.0
Nc1nc(N)c2c3c(sc2n1)CCCCCCCCCC3,0.0
Nc1nc(N)c2c(/C=C/c3ccccc3)cccc2[nH+]1,0.0
CCc1c(Sc2cccc3ccccc23)[nH]c2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2c3ccccc3cc3ccccc23)cnc2[nH+]c(N)nc(N)c12,0.0
[H]/N=C1\NC[C@@H](Cc2ccc(OC)c(OCc3ccccc3)c2)C(=[NH2+])N1,0.0
Cc1c(CNc2ccc3ccc4cccc5ccc2c3c45)cnc2[nH+]c(N)nc(N)c12,0.0
CCN(Cc1ccc2ccccc2c1)c1ccc2[nH+]c(N)nc(N)c2c1,0.0
O=c1c(-c2cccc(Cl)c2)coc2cc(O)cc(O)c12,0.0
Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1,0.0
Brc1cccc(Nc2ncnc3cc4ccccc4cc23)c1,0.0
Brc1cccc(Nc2ncnc3c2oc2ccccc23)c1,0.0
Brc1cccc(Nc2ncnc3c2[nH]c2ccccc23)c1,0.0
Brc1cccc(Nc2ncnc3cc4n[nH]nc4cc23)c1,0.0
Brc1cccc(Nc2ncnc3cc4c(cc23)OCO4)c1,0.0
Nc1ncnc2c1c(-c1ccccc1)nn2-c1ccccc1,0.0
O=C1NC(=O)N(CCc2ccccc2)/C1=C/c1ccc(O)cc1,0.0
Brc1cccc(Nc2ncnc3c2ccc2[nH]cnc23)c1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCC1,0.0
Brc1cccc(Nc2ncnc3cc4[nH]cnc4cc23)c1,0.0
c1ccc(Nc2ncnc3[nH]c4c(c23)CCCC4)cc1,0.0
Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1,0.0
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2c1,0.0
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(OCc4ccccc4)cc3)c2c1,0.0
Brc1cccc(Nc2ncnc3cc4c[nH]nc4cc23)c1,0.0
Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21,0.0
Cc1ccn2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12,0.0
Nc1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1,0.0
Cc1c(-c2ccccc2)[nH]c2ncnc(Nc3cccc(Cl)c3)c12,0.0
C=CC(=O)Nc1ccc2ncnc(Cc3cccc(C)c3)c2c1,0.0
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCc1ccccc1,0.0
CC(=O)Nc1cc2ncnc(NCc3ccccc3)c2cn1,0.0
O=C(OCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Brc1cccc(Nc2ncnc3ccc4cc[nH]c4c23)c1,0.0
Brc1cccc(Nc2ncnc3cc4nccnc4cc23)c1,0.0
O=C(OCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Brc1cccc(Nc2ncnc3c2sc2ncccc23)c1,0.0
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCc1ccccc1,0.0
O=C(OCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)NCCCc1ccccc1,0.0
NC(=O)C[N@@H+]1CC[C@@H](n2cc(-c3cccc(O)c3)c3c(N)ncnc32)C1,0.0
C=CC(=O)Nc1ccc2ncnc(Nc3ccc(F)c(Cl)c3)c2n1,0.0
O=C([O-])c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Cc1cccc(Nc2ncnc3n[nH]c(Nc4cccc(Cl)c4)c23)c1,0.0
Cc1[nH]c2ncnc(Nc3cccc(Br)c3)c2c1C,0.0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,0.0
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O,0.0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@H]3[C@@H]1CC[C@@H]2O,0.0
O=c1c2c(O)cc(O)cc2oc2oc3cc(O)ccc3c12,0.0
Oc1ccc2c(-c3cccc4c(O)cccc34)noc2c1,0.0
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@]43CCC5=O)[C@@H]1CC[C@@H]2O,0.0
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@]43CC[C@@H]5O)[C@@H]1CC[C@@H]2O,0.0
O=c1c2oc3cc(O)ccc3c2oc2cc(O)cc(O)c12,0.0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=O,0.0
Oc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1,0.0
Oc1ccc(-c2cccc(-c3ccc(O)cc3)c2)cc1,0.0
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12,0.0
Oc1ccc2cc(-c3nc4ccc(O)cc4o3)ccc2c1,0.0
Oc1ccc(-c2ccc3cc(O)ccc3c2)c(Cl)c1,0.0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,0.0
C[C@]12CC[C@@H]3c4cc(Cl)c(O)cc4CC[C@H]3[C@@H]1CCCC2=O,0.0
Cc1c(O)ccc2c1oc(=O)c1c(C)c(O)ccc12,0.0
Oc1ccc2c(c1)C[C-]1Oc3cc(O)ccc3N=C21,0.0
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,0.0
CC1=C2c3ccc4[nH]ncc4c3C[C@]2(Cc2ccc(F)cc2)CCC1=O,0.0
C=C[C@]12CCC(=C)C=C1CC[C@H]1[C@@H]3CC[C@H](O)[C@@]3(C)CC[C@@H]12,0.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,0.0
Oc1ccc([C@@H]2CCc3cc(O)ccc3O2)cc1,0.0
Cc1cc(O)ccc1-c1cc2ccc(O)cc2s1,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCC[C@H]32)cc1,0.0
CC1=CC2=CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,0.0
CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@@H]2CC,0.0
Oc1ccc(-c2cc3cc(O)cc(Br)c3o2)cc1,0.0
CC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]ncc3c1C2=O,0.0
Oc1ccc([C@H]2Oc3cccc(O)c3[C@H]3CCC[C@H]32)cc1,0.0
O=C1c2ccc(O)cc2C(=O)N1c1ccc(O)cc1[N+](=O)[O-],0.0
O=C1CC[C@@H]2c3cc(O)ccc3O[C@H](c3ccc(O)cc3)[C@@H]2C1,0.0
O=C1C[C@H]2[C@@H](C1)c1cc(O)ccc1O[C@H]2c1ccc(O)cc1,0.0
Oc1ccc(-c2ccc3c(-c4ccccc4)c(O)ccc3c2)cc1,0.0
Oc1ccc2c(ccc3c4ccccc4ccc23)c1O,0.0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,0.0
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC=C[C@]43CC[C@@H]5O)[C@@H]1CC[C@@H]2O,0.0
C=C1C=C2CC[C@H]3[C@@H]4CC[C@H](O)[C@@]4(C)CC[C@@H]3[C@@]2(C)CC1,0.0
C[C@]12CC[C@@H]3[C@@H](CC=C4C[C@@H](O)CC[C@@]43/C=C\F)[C@@H]1CC[C@@H]2O,0.0
C[C@]12CC[C@H]3[C@@H](CC[C@H]4[C@H]5CCC[C@]43CC[C@@H]5O)[C@@H]1CC[C@@H]2O,0.0
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O,0.0
Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1,0.0
O=c1c2c(O)cc(O)cc2oc2oc3cc(O)ccc3c12,0.0
Oc1ccc2c(-c3cccc4c(O)cccc34)noc2c1,0.0
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@]43CCC5=O)[C@@H]1CC[C@@H]2O,0.0
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC[C@]43CC[C@@H]5O)[C@@H]1CC[C@@H]2O,0.0
O=c1c2oc3cc(O)ccc3c2oc2cc(O)cc(O)c12,0.0
C[C@]12CC[C@@H]3c4ccc(O)cc4CC[C@@H]3[C@@H]1CCC2=O,0.0
Oc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1,0.0
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12,0.0
Oc1ccc(-c2nc3cc(O)cc(C4CCCC4)c3o2)cc1,0.0
C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,0.0
Oc1ccc2cc(-c3nc4cc(O)ccc4o3)ccc2c1,0.0
O=C1c2ccc(O)cc2C(=O)N1c1ccc(O)c2ccccc12,0.0
C#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CC[C@@H]4[C@H]3CC[C@@]21C,0.0
C[C@]12CC[C@H]3[C@@H](CC=C4C[C@@H]5CC[C@@]43CCO5)[C@@H]1CC[C@@H]2O,0.0
O=c1c2c(O)cc(O)cc2nc([S-])n1-c1ccc(O)cc1,0.0
Oc1ccc2c(c1)C[C-]1Oc3cc(O)ccc3N=C21,0.0
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,0.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,0.0
Oc1ccc([C@@H]2CCc3cc(O)ccc3O2)cc1,0.0
Oc1ccc([C@@H]2CCc3cc(O)ccc3N2)cc1,0.0
Oc1ccc([C@@H]2Oc3ccc(O)cc3[C@@H]3CCC[C@@H]32)cc1,0.0
Oc1cc(-c2ccoc2)c2oc(-c3ccc(O)c(F)c3)nc2c1,0.0
Cc1cccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)c1,0.0
Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(Br)c2c1,0.0
Cc1cc(O)ccc1-c1nc2cc(O)cc(Br)c2o1,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCC[C@H]32)cc1,0.0
Oc1ccc2c(-c3cc(Br)c(O)cc3O)noc2c1,0.0
O=c1oc2ccccc2cc1-c1ccc(O)cc1,0.0
O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cn1,0.0
CC[C@@H]1Cc2cc(O)ccc2C2=C1c1ccc(O)cc1C[C@@H]2CC,0.0
CC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]nc(F)c3c1C2,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCCC[C@H]32)cc1,0.0
NC(=[NH2+])c1cccc(OCCNC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
COC(=O)C[C@H](CCc1ccc(NC(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1,0.0
COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1,0.0
[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3cccc(Cl)c3)nc12,0.0
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2ccccn2)cc1,0.0
NC(=[NH2+])c1cccc(COc2ccccc2)c1,0.0
NC(=[NH2+])c1cccc(-c2cccc([C@H](CCCNc3cc[nH+]cc3)C(=O)[O-])c2)c1,0.0
O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cnnn1,0.0
NC(=[NH2+])c1cccc(OCCN2Cc3cc(-c4ccccc4S(N)(=O)=O)ccc3C2=O)c1,0.0
NC(=[NH2+])N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2ccc(=O)[nH]c2)NS(=O)(=O)Cc2ccccc2)[C@H]1O,0.0
NC(=[NH2+])c1cccc(OCCC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
FC(F)(CNc1nccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12)[C@@H]1CCCC[NH2+]1,0.0
c1ccc(-n2cnnn2)c(Cc2nc3c(NCC[C@@H]4CCCC[NH2+]4)nccc3o2)c1,0.0
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-n2ccnc2)cc1,0.0
NC(=[NH2+])c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2ccncc2)cc1,0.0
Cc1cc2oc(Cc3ccccc3-n3cncn3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1,0.0
NC(=[NH2+])c1ccc(O)c(CN2CC[C@@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1,0.0
COC(=O)CN(CCCOc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1,0.0
NC(=[NH2+])N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@@H]2O)CC1,0.0
[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12,0.0
O=C(N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)s1,0.0
NC(=[NH2+])c1cccc(OCC(=O)Nc2ccc(C(=O)N3CC=CC3)cc2)c1,0.0
CS(=O)(=O)c1ccccc1-c1ccc(NC(=O)c2conc2-c2cccc(C(N)=[NH2+])c2)cc1,0.0
NC(=[NH2+])c1ccc(O)c(OCC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
NC(=[NH2+])N1CCC([C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@@H]2O)CC1,0.0
NC(=[NH2+])N1CCC[C@@H](C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@@H]2O)C1,0.0
NC(=[NH2+])c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4ccncc4s3)C2=O)c1,0.0
NC(=[NH2+])c1ccc(O)c(OCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1,0.0
NS(=O)(=O)c1ccccc1-c1ccc(C(=O)NCCNC(=O)c2ccc(Cl)s2)cc1,0.0
NC(=[NH2+])NCCC[C@@H](NS(=O)(=O)Cc1ccccc1)C(=O)NCC(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@@H]1O,0.0
O=C(NCCNC(=O)c1ccc(Cl)s1)c1ccc(-n2ccccc2=O)cc1,0.0
O=C(Nc1ccc(Cl)cn1)c1ccccc1NCc1ccc(-n2ccccc2=O)cc1,0.0
NC(=[NH2+])c1cccc(C2=NO[C@@](Cc3ccccc3)(C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3)C2)c1,0.0
NC(=[NH2+])N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cnccn2)NS(=O)(=O)Cc2ccccc2)[C@H]1O,0.0
[NH2+]=C(c1ccc(CN2CCN(S(=O)(=O)c3cc4cc(Cl)ccc4[nH]3)CC2=O)cc1)N1CCC1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)N(O)Cc1ccccc1,0.0
O=C(NCCc1ccccc1)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1cccnc1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)[C@H](O)c1ccccc1,0.0
NC(=[NH2+])c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)[C@H](CO)c1cccnc1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1cccs1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1ccsc1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)[C@@H](CO)c1ccccc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(NC(=O)c2cccc(Oc3ccccc3)c2)cc1,0.0
NC(=[NH2+])c1ccc2nc(-c3nc4ccccc4[nH]3)[nH]c2c1,0.0
CCCCCNC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc2c(c1)OCCO2,0.0
NC(N)=[NH+]CCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3c[nH]cn3)nc2c1,0.0
C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc2ccccc2c1,0.0
NC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
CCc1cc(OC2CCOCC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(NC(=O)C2CC2)cc1,0.0
C#Cc1cc(OC2CCOCC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])c(F)c1)c1ccc2c(c1)NC(=O)CO2,0.0
CCOc1cc(OCC)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1cccc(Br)c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(C(=O)Nc2cccc(Oc3ccccc3)c2)cc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc2c(c1)NC(=O)CO2,0.0
COc1ccc(Oc2ccc([C@@H](C)NC(=O)CNC(=O)Nc3ccc(C(N)=[NH2+])cc3)cc2)cc1,0.0
NC(=[NH2+])c1ccc(NC(=O)NCC(=O)NC(c2ccccc2)c2ccccc2)cc1,0.0
NC(=[NH2+])c1ccc(CNC(=O)Cn2c(-c3ccccc3)c(Cl)nc(NCCc3ccccc3Cl)c2=O)cc1,0.0
CCOc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])ccc1OCc1ccccc1,0.0
COc1cccc(COc2ccc([C@@H](C)NC(=O)CNC(=O)Nc3ccc(C(N)=[NH2+])cc3)cc2)c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(Oc2ccccc2)cc1,0.0
CC(C)Nc1ccc(-c2cc(N)cc(C(=O)[O-])c2)n(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1=O,0.0
CC(C)Nc1ccc(-c2cc(N)cc(N)c2)n(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1=O,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(NC(=O)c2ccccc2)cc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(OCc2cccc(Cl)c2)cc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(Cc2ccccc2)cc1,0.0
CC(C)CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc12,0.0
CCOc1cc(-c2cccnc2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
CCOc1cc(O[C@H]2CC[C@H](O)CC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
COc1ccc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)cc1OC,0.0
Nc1cccc(-c2c(Cl)nc(NC3CCC3)c(=O)n2CC(=O)NCc2ccccc2)c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1cccc(OCc2ccccc2)c1,0.0
O=C([O-])c1ccc2c3c(n(Cc4ccccc4)c2c1)CCCC3,0.0
CCCn1c2c(c3cccc(C(=O)[O-])c31)CCCCC2,0.0
O=C([O-])C(=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
NC(=O)c1cccc(Cn2c3c(c4cccc(C(=O)[O-])c42)CCCCC3)c1,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccc(F)cc4)c12)CCCCC3,0.0
O=C([O-])Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccc(F)cc4)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4cccc(F)c4)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4F)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4cccc(F)c4)c12)CCCCC3,0.0
O=C([O-])CCCn1c2ccccc2c2ccccc21,0.0
COc1cccc(Cn2c3c(c4cccc(C(=O)[O-])c42)CCCC3)c1,0.0
CCCn1c2c(c3cccc(C(=O)[O-])c31)CCCC2,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c12)CCCCC3,0.0
O=C([O-])c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c12)CCCC3,0.0
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-],0.0
COc1ccccc1Cn1c2c(c3cccc(C(=O)[O-])c31)CCCC2,0.0
CO[C@@H](C(=O)[O-])c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
CCCCCCCCCCCCCCCC(=O)[O-],0.0
NC(=O)c1ccccc1Cn1c2c(c3cccc(C(=O)[O-])c31)CCCCC2,0.0
O=C([O-])CCCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)o2)c1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1,0.0
O=C([O-])CNc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)[O-])c1,0.0
CCc1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1,0.0
Cn1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
CCn1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
CCn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)n2CCF)c1,0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(C(=O)[O-])c1,0.0
Cc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
Cc1ccc(C(N)=O)cc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
Clc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
Cc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
CCc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
COc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
c1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1,0.0
COc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
COc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1,0.0
O=C1Cc2cc(Nc3ncc(Cl)c(NCc4ccccn4)n3)ccc2N1,0.0
Cn1ccc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc21,0.0
C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F,0.0
O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc2N1,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4)n3)ccc2N1,0.0
N#Cc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCc1ccccn1,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc2N1,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,0.0
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)c1,0.0
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(/C=C/c3ccccc3)n2)[nH]n1,0.0
CS(=O)(=O)c1cccc(CNc2nc(Nc3ccc4c(c3)CCC(=O)N4)ncc2C(F)(F)F)c1,0.0
CS(=O)(=O)c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F,0.0
C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CCCNC3=O)ncc1C(F)(F)F,0.0
CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CNC3=O)ncc1C(F)(F)F)S(C)(=O)=O,0.0
Cc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCCCNC4=O)n3)ccc2N1,0.0
Cc1cc(N2CCN(CCC#N)CC2)cc2nc(-c3c(NC[C@@H](O)c4ccccc4Cl)cc[nH]c3=O)[nH]c12,0.0
COc1cc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc(OC)c1OC,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4S(=O)(=O)N4CCCC4)n3)ccc2N1,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)[O-])c4)c3n2)cc(OC)c1OC,0.0
COC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21,0.0
Nc1ncc(NC(=O)c2cc(NC(=O)c3cccc(C(F)(F)F)c3)ccc2Cl)cc1Cl,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CCC(=O)[O-])n4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4ccc(C)cc4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc(Br)c(Nc3ccccn3)n2)cc(OC)c1OC,0.0
CN(c1ncccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,0.0
CC(=O)N1[C@@H]2CC[C@H]1c1cc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCC[C@H]4[NH+](C)C)n3)ccc12,0.0
CNC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21,0.0
CN(c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F)S(C)(=O)=O,0.0
CN(c1cccc(CNc2nc(Nc3ccc4c(c3)CC(=O)N4)ncc2C(F)(F)F)c1)S(C)(=O)=O,0.0
CNC(=O)c1cccc(-n2ccc3cnc(Nc4cc(OC)c(OC)c(OC)c4)nc32)c1,0.0
COc1cc(Nc2ncc3ccn(-c4cnccc4F)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2nc3c(c[nH+]2)CC[C@H](O)N3c2ccccn2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C)c4)c3n2)cc(OC)c1OC,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
c1ccc2c(-c3nc4c(N5CCOCC5)cccc4[nH]3)n[nH]c2c1,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
CC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12,0.0
Cc1c[nH]c(/C=C2\C(=O)Nc3ccccc32)c1CCC(=O)[O-],0.0
c1ccc2c(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n[nH]c2c1,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(C(=O)NNc4ccccc4)cc32)c(C)c1CCC(=O)[O-],0.0
Nc1c(-c2nc3ccc(OCCN4CCOCC4)cc3[nH]2)c(=O)[nH]c2ccccc12,0.0
Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1,0.0
c1ccc2c(-c3nc4ccc(OCCC[NH+]5CCCC5)cc4[nH]3)n[nH]c2c1,0.0
CONC(=O)c1cc(Nc2ncnn3cc(-c4nc(C)no4)c(C(C)C)c23)c(F)cc1F,0.0
CONC(=O)c1cc(Nc2ncnn3cc(-c4n[nH]c(C)n4)c(C(C)C)c23)c(F)cc1F,0.0
Cc1nnc(-c2cn3ncnc(Nc4cnc5[nH]ccc5c4)c3c2C(C)C)o1,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccnc3)nc21,0.0
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(/C=C/c3ccccc3)n2)[nH]n1,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H]1CC[N@H+](C)CC1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCn3cc[nH+]c3)cc21,0.0
CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCCN3CCOCC3)cc21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCCCN3CC[NH+](C)CC3)cc21,0.0
C[NH+]1CCN(c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)CC1,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCCCN3CC[NH+](C)CC3)nc21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21,0.0
CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,0.0
CONC(=O)c1cc(Nc2ncnn3cc(-c4ncc(C)o4)c(C(C)C)c23)c(F)cc1F,0.0
COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCCn1ccnn1,0.0
CN1CC[NH+](CCCCNc2ncc3cc(-c4c(Cl)cccc4Cl)c(=O)n(C)c3n2)CC1,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CCOCC3)cc21,0.0
Cc1nc(N2CCN(CCO)CC2)cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)[nH+]1,0.0
CC[NH+](CC)CCCCNc1cc2c(cn1)cc(-c1c(Cl)cccc1Cl)c(=O)n2C,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CC[NH+](C)CC3)cc21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCN3CC[NH+](C)CC3)nc21,0.0
c1ccc(COc2ccc3[nH]nc(-c4nc5cc(N6CCC([NH+]7CCCCC7)CC6)ccc5[nH]4)c3c2)cc1,0.0
c1cc2n[nH]c(-c3nc4ccc(N5CCC([NH+]6CCCCC6)CC5)cc4[nH]3)c2cc1NCC1CCCCC1,0.0
Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(Cc3ccncc3)c2n1,0.0
CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc[nH+]cc3)nc21,0.0
O=C(C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1)c1ccccc1,0.0
CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)O[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3,0.0
CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1,0.0
O=C(OCCCc1cccnc1)[C@@H]1CCCN1C(=S)NC1CCCCC1,0.0
CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCC1CCCCC1,0.0
O=C(OCCCc1cccnc1)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1,0.0
O=C(OCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1,0.0
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCCCCc2ccccc2)cc1,0.0
O=C(SCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCC1CCCCC1,0.0
O=C(C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1)C1CCCCC1,0.0
O=C(OCCCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCC1CCCCC1,0.0
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@H]21)N3S(=O)(=O)[N-]c1ccc(F)nc1,0.0
CC[C@H](C)CNC(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1,0.0
CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1cccnc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1cccnc1,0.0
CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)OCCCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1ccccc1,0.0
O=C(SCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)Cc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1cccnc1,0.0
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1ccccn1,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc1OC,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1,0.0
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@H]21)N3S(=O)(=O)[N-]c1cc(F)c(F)c(F)c1,0.0
O=C(C(=O)N1CCC[C@H]1C(=O)OCCCc1ccccc1)C1CCCCC1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)c2ccccc2)cc1OC,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1ccc2c(c1)OCO2,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCN2S(=O)(=O)Cc2ccccc2)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1[C@H]2CC[C@H](C2)[C@H]1C(=O)OCCCc1ccccc1,0.0
CC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1ccccc1,0.0
O=C(C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1)C1CCCCC1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCCc1c(F)c(F)c(C(F)(F)F)c(F)c1F,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc(OC)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCCc1cccnc1,0.0
O=C(OCCCc1cccnc1)[C@@H]1CCCN1C(=S)N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc2ccccc2c1,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1)C1CCCCC1,0.0
COc1ccc(CCCOC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc2ccccc12,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1ccccc1-c1ccccc1,0.0
N#Cc1ccc(Cn2ccnc2)cc1OCCc1ccccc1,0.0
O=C(Nc1ccncc1)N1CCN([C@H]2c3ccc(Cl)cc3CCc3cccnc32)CC1,0.0
[NH3+][C@@H](CS)CNc1cccc(Oc2cccc(C(=O)[O-])c2)c1,0.0
O=C(c1cccc2ccccc12)N1CCN(CCCc2[nH]cc[nH+]2)c2ccccc2C1,0.0
N#Cc1ccc(Cn2ccnc2)cc1OCCc1ccc(-c2ccccc2)cc1,0.0
CCOC(=O)CN1C(=O)N(CCCn2cc[nH+]c2)C(=O)[C@@]1(C)c1cccc2ccccc12,0.0
N#Cc1ccc(Cn2c[nH+]cc2CN[C@H]2CCN(c3ccccn3)C2=O)cc1,0.0
CCOC(=O)c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12,0.0
N#Cc1ccc(Cn2c[nH+]cc2CN[C@H]2CCN(c3cccnc3)C2=O)cc1,0.0
N#Cc1ccc(Cn2ccnc2)cc1OCCCc1ccccc1,0.0
COc1cccc(Oc2cc(Cn3ccnc3)ccc2C#N)c1OC,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1ccc2ccccc2c1,0.0
O=C([O-])c1cccc(Oc2cccc(N(Cc3c[nH]c[nH+]3)Cc3c[nH]c[nH+]3)c2)c1,0.0
N#Cc1ccc(Cn2c[nH+]cc2CN[C@H]2CCN(c3ccccc3Cl)C2=O)cc1,0.0
CC(C)N(Cc1ccoc1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,0.0
Cc1ccccc1-c1cc(N(Cc2ccccc2)Cc2c[nH]c[nH+]2)ccc1C#N,0.0
O=S(=O)(c1cccc2ccccc12)N1CCN(Cc2c[nH]c[nH+]2)c2ccccc2C1,0.0
CN(Cc1c[nH+]cn1C)c1ccc(C#N)c(-c2cccc3ccccc23)c1,0.0
N#Cc1ccc(Cn2ccnc2)cc1OCCCCc1ccccc1,0.0
N#Cc1ccc(Cn2c[nH+]cc2CNc2ccc(C(=O)c3ccccc3)cc2)cc1,0.0
N#CC1=C(c2cccc3ccccc23)CN(C(=O)CCc2c[nH+]cn2Cc2ccc(C#N)cc2)CC1,0.0
N#Cc1ccc(Cn2cncc2CC[NH2+][C@@H]2CCN(c3ccccc3)C2=O)cc1,0.0
O=C([O-])c1cccc(Oc2ccc(N(Cc3c[nH]c[nH+]3)Cc3c[nH]c[nH+]3)cc2)c1,0.0
CC(C)N(Cc1ccco1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,0.0
CC(C)N(Cc1ccccn1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,0.0
CC(C)N(Cc1cnn(C)c1)C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,0.0
N#Cc1ccc(Cn2ccnc2)cc1Sc1ccc(Cl)cc1Cl,0.0
N#Cc1ccc(Cn2cncc2C[NH2+][C@@H]2CCN(C(=O)c3cccc(Cl)c3)C2)cc1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(Oc2ccccc2)c1,0.0
O=P([O-])([O-])[C@H](Nc1[nH+]ccc2ccccc12)[P@@](=O)([O-])O,0.0
C[N@H+](CCCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
C[N@H+](CCCCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@H](Cn1cnc2ccccc21)[P@@](=O)([O-])O,0.0
C[N@H+](CCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(CC[NH2+]CCCCc1ccccc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1cnc2ccccn12)[P@@](=O)([O-])O,0.0
Nc1ccccc1C[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
C[n+]1cccc(C[C@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O)c1,0.0
O=P([O-])([O-])[C@](O)(CCc1cccnc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCCCC1)[P@@](=O)([O-])O,0.0
Cc1cccc(N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O)[nH+]1,0.0
O=P([O-])([O-])[C@H](Cn1cnc2cncnc21)[P@@](=O)([O-])O,0.0
Cc1cc[nH+]c(N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O)c1,0.0
CCCCCCCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1ccccc1)[P@@](=O)([O-])O,0.0
CCCCCCCCCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](C[C@H]1CCCC[NH2+]1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](CNc1cc[nH+]cc1)[P@@](=O)([O-])O,0.0
Cc1ccc[nH+]c1NC[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCC[N@H+](C)CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])C([NH+]1CCCCC1)P(=O)([O-])[O-],0.0
O=P([O-])([O-])[C@H](Nc1ccc(Br)cn1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Cc1ccccn1)[P@@](=O)([O-])O,0.0
Cc1ccc[nH+]c1N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Nc1ccc(Cl)cn1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Nc1cccc[nH+]1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@](F)(Cc1cccnc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](CNc1cccc[nH+]1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCCC1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@](Cl)(Cc1cccnc1)[P@@](=O)([O-])O,0.0
CCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1ccccn1)[P@@](=O)([O-])O,0.0
CCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1ccncc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@H](Nc1cccnc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1cccnc1)[P@@](=O)([O-])O,0.0
Cc1csc(N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O)n1,0.0
O=P([O-])([O-])[C@@](Br)(Cc1cccnc1)[P@@](=O)([O-])O,0.0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1cnc2ccccc21)C(F)(F)F,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc2ccccc2c1)C(F)(F)F,0.0
C/C=C1/C(=O)C[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCCc2ccccc21)C(F)(F)F,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1cc(C)[nH+]c1C)C(F)(F)F,0.0
Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1ccc(F)cc1O,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCOc2ccccc21)C(F)(F)F,0.0
Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
Cn1c(C#N)ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1,0.0
O=C1CC[C@@]2(Cc3ccccc3)c3ccc(O)cc3CC[C@@H]2C1,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cn1cc(C)c(=O)c(C)c1)C(F)(F)F,0.0
C=CC[C@H]1Oc2ccc(O)c(Cl)c2-c2ccc3c(c21)C(C)=CC(C)(C)N3,0.0
C[C@@H]1C[C@H]2[C@@H]3C[C@H](F)C4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(OC(=O)c1ccco1)C(=O)SCF,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1cnc(=O)c2ccccc21)C(F)(F)F,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F,0.0
O=c1[nH]c(N2CCC[C@@H](c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2ncccc21)C(F)(F)F,0.0
CC[C@@]1(c2ccco2)OCC(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,0.0
Cc1cc(-c2cc3ccccc3[nH]2)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCC(=O)c2ccccc21)C(F)(F)F,0.0
Cc1cn(C[C@](O)(CC(C)(C)c2cccc3c2OCC3)C(F)(F)F)cc(C)c1=O,0.0
Cc1cc(-c2ccc3cc[nH]c3c2)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
O=C1C=C2CCN(S(=O)(=O)c3ccc(Oc4ccccc4)cc3)C[C@@]2(Cc2ccccc2)CC1,0.0
O=c1[nH]c(N2CC[C@@H](c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@@H](C)C(=O)[C@@H](C)C1)C(F)(F)F,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cccc4c3OCC4)C(F)(F)F)cc12,0.0
O=C(NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O)c1cccc2ccccc12,0.0
O=S(=O)(NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O)c1cccc2ccccc12,0.0
O=C(CCc1ccccc1)NC[C@@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O,0.0
OCCNc1nc(Nc2cc(Cl)ccc2O)nc(N2CCCC2)n1,0.0
CCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
CCOc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCCCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
Cc1cc(N2CCC(C)CC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
CCCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
CN(C)c1cccc2c(S(=O)(=O)NCCO)cccc12,0.0
CCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,0.0
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1,0.0
CCCCCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
CCCCCCCCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
CCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1,0.0
CCCCCCCCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O,0.0
CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CCCCCCCCCC[NH2+][C@H]1C[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,0.0
CCCCCC[NH2+][C@H]1C[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,0.0
COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CCCCCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O,0.0
CCCCCCCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
CCCCCCCCCCCCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CN(C)c1cccc2c(S(=O)(=O)NCCCCCC(=O)NC[C@H]3[NH2+][C@H](CO)[C@H](O)[C@@H]3O)cccc12,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)C3CCCCC3)cc12,0.0
CCN(CC)c1ccc2cc(C(=O)NC[C@H]3[NH2+][C@H](CO)[C@H](O)[C@@H]3O)c(=O)oc2c1,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)C3CC3)cc12,0.0
OCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)n1,0.0
CCCCCCCCCC(=O)N[C@H](C[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@@H](O)c1ccccc1,0.0
CCCCCCCCCC(=O)N[C@H](C[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)c1ccccc1,0.0
CCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O,0.0
CCC[C@H]1CC[C@H](C(=O)Nc2ccc3[nH+]c(N4CCOCC4)cc(C)c3c2)CC1,0.0
NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O,0.0
OC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@H]1O,0.0
O=c1ccn(-c2cc3c(=O)n([O-])c(=O)[nH]c3cc2Cl)cc1,0.0
O=C([O-])c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4cnnc4)cc3n2n1,0.0
O=C([O-])Cc1cccc2c1Cc1c-2[nH]c(=O)c2nc(C(=O)[O-])cn12,0.0
O=C([O-])c1nc2c(=O)[nH]c3cc(C(F)(F)F)c(-n4ccnc4)cc3n2n1,0.0
O=C([O-])c1cn2c3c(nc([O-])c2n1)-c1ccccc1C3=O,0.0
O=C([O-])c1cc2c3cc(-n4cnnc4)c(Cl)cc3nc([O-])n2n1,0.0
O=C([O-])c1ccn(-c2cc3c(cc2[N+](=O)[O-])[nH]c(=O)c2nc(C(=O)[O-])nn23)c1,0.0
O=C([O-])c1nc2cc(-n3ccc(=O)cc3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12,0.0
O=c1[nH]c2c(n3ccnc13)C1(CC[NH2+]CC1)c1ccccc1-2,0.0
O=Cc1ccn(-c2cc3c(cc2Cl)nc([O-])n2nc(C(=O)[O-])cc32)c1,0.0
O=C([O-])[C@@H]1C[C@H]2C[C@@H](CCc3nnn[n-]3)CC[C@H]2C[NH2+]1,0.0
O=C([O-])c1nc2c(=O)[nH]c3cc([N+](=O)[O-])ccc3n2n1,0.0
O=C([O-])C1CCN(Cc2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])CC1,0.0
O=C(Nc1ccccc1)OCc1cn(-c2cc3nc(C(=O)[O-])c(=O)[nH]c3cc2[N+](=O)[O-])ccc1=O,0.0
O=C(NCc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1)Nc1ccncc1,0.0
O=c1[nH]c2cc(-c3cccnc3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
N[C@H](Cc1c(-c2nnn(Cc3ccccc3)n2)o[nH]c1=O)C(=O)[O-],0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C(=O)[O-])c3)cc21,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH+]2CCCCC2)CC1,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]CC2CCCCC2)CC1,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]C[C@@H]2CCC[NH2+]C2)CC1,0.0
C[N@H+]1CC[C@H](C[NH2+]CCCC[NH2+]CC2CCN(C(=O)Cc3cccc4ccccc34)CC2)CC1,0.0
O=C([O-])c1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1,0.0
C[N@@H+]1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12,0.0
O=c1[nH]c2cc([N+](=O)[O-])c(-n3ccnc3)cc2n([C@@H]2CC[NH2+]C2)c1=O,0.0
O=c1[nH]c2cc(C[NH+]3CCCC3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
C[N@@H+]1CCC[C@@H]1CC[NH2+]CCCC[NH2+]CC1CCN(C(=O)Cc2cccc3ccccc23)CC1,0.0
CCOC(=O)c1cc2c3cc(-n4cnnc4)c(Cl)cc3nc([O-])n2n1,0.0
O=c1[nH]c2cc(C[N+]3=CCCC3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
O=c1[nH]c2cc(-c3c[nH]cn3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
O=[N+]([O-])c1cc2[nH]c([O-])c([O-])[n+](=O)c2cc1-n1cncn1,0.0
O=c1[nH]c2cc(N3CC[NH2+]C3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
O=c1[nH]c2cc(CN3CC=CCC3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]C[C@@H]2CCC[NH2+]2)CC1,0.0
O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2nc1[O-],0.0
Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nc(C(=O)[O-])cn12,0.0
O=C([O-])c1cn2c3c([nH]c(=O)c2n1)-c1ccc(F)cc1C3,0.0
O=C([O-])c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1C3,0.0
O=C([O-])c1cn(C[C@H]2CC[C@H]3C[NH2+][C@H](C(=O)[O-])C[C@H]3C2)cn1,0.0
[NH3+][C@@H](Cn1cc(F)c(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-],0.0
NS(=O)(=O)c1cccc2c1c([N+](=O)[O-])cc1[nH]c(=O)c(=O)[nH]c12,0.0
O=C([O-])[C@@H]1C[C@H]2C[C@@H](CCc3nnn[n-]3)CC[C@H]2C[NH2+]1,0.0
[NH3+][C@@H](Cn1ccc(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-],0.0
N[C@H](Cc1c(-c2nnn(Cc3ccccc3)n2)o[nH]c1=O)C(=O)[O-],0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1-c1nnn[n-]1,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc2ccccc2c1)C(=O)[O-])C(=O)[O-],0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1cccc2ccccc12)C(=O)[O-])C(=O)[O-],0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(C(F)(F)F)cc1)C(=O)[O-])C(=O)[O-],0.0
C[N@@H+]1CCC[C@]12c1ccccc1-c1[nH]c(=O)c3nccn3c12,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3cccc3)cc21,0.0
O=[N+]([O-])c1cc2[nH]c([O-])c([O-])[n+](=O)c2cc1-n1ccnc1,0.0
O=C([O-])c1cc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]c1=O,0.0
O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2nc1[O-],0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(Cl)cc1)C(=O)[O-])C(=O)[O-],0.0
CC(C)n1nnc(-c2o[nH]c(=O)c2C[C@@H](N)C(=O)[O-])n1,0.0
Cc1cn(C[C@H]([NH3+])C(=O)[O-])c(=O)n(Cc2ccccc2C(=O)[O-])c1=O,0.0
[NH3+]Cc1ccn(-c2cc3c(cc2[N+](=O)[O-])[nH]c(=O)c(=O)n3CC(=O)[O-])c1,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(Br)cc1)C(=O)[O-])C(=O)[O-],0.0
Cc1cn(C[C@H]([NH3+])C(=O)[O-])c(=O)n(Cc2ccoc2C(=O)[O-])c1=O,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(Cl)c(Cl)c1)C(=O)[O-])C(=O)[O-],0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1P(=O)([O-])[O-],0.0
CSc1ccc(/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-])cc1,0.0
C[C@@H]1CCC=C(C[C@H](N)C(=O)[O-])c2c1o[nH]c2=O,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccccc1)C(=O)[O-])C(=O)[O-],0.0
CN1CCc2c(c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)C1,0.0
COc1cccc(/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-])c1,0.0
[NH3+][C@@H](Cn1c(=O)c(=O)[nH]c2ccccc21)C(=O)[O-],0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2nc1[O-],0.0
CCn1nnc(-c2o[nH]c(=O)c2C[C@@H](N)C(=O)[O-])n1,0.0
[NH3+][C@H](Cn1c(=O)c(=O)[nH]c2ccccc21)C(=O)[O-],0.0
N[C@@H](CC1=CCCCc2o[nH]c(=O)c21)C(=O)[O-],0.0
[NH3+][C@@H](Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)[O-],0.0
CC(C)c1ccc(/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-])cc1,0.0
[NH3+][C@@H](Cn1c2c(c(=O)[nH]c1=O)CCC2)C(=O)[O-],0.0
Cc1cn(C[C@H]([NH3+])C(=O)[O-])c(=O)n(Cc2ccsc2C(=O)[O-])c1=O,0.0
Nc1ccc(-c2ccoc2)cc1NC(=O)c1ccccc1,0.0
Nc1ccc(-c2ccncc2)cc1NC(=O)c1ccccc1,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NO,0.0
O=C1CN(Cc2ccc(C(=O)NO)cc2)c2ccccc2N1,0.0
O=C(CCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
Nc1ccc(-c2ccco2)cc1NC(=O)c1ccccc1,0.0
O=C(CCCCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(NO)c1ccc(CNC(=O)c2cccc3ccccc23)cc1,0.0
Nc1ccc(-c2ccccc2)cc1NC(=O)c1cccnc1,0.0
O=C(CCC1=CCCN(CCc2ccccc2)C1=O)NO,0.0
O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2CCc2ccccc2)cc1,0.0
Cc1nc2ccccc2n1CC[NH2+]Cc1ccc(/C=C/C(=O)NO)cc1,0.0
O=C(CCCCCCN1c2cccc3cccc(c23)S1(=O)=O)NO,0.0
O=C(/C=C/c1ccc(CNC(=O)c2cccnc2)cc1)NO,0.0
O=C(NO)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1,0.0
O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2Cc2ccccc2)cc1,0.0
O=C(CCCCCCC(=O)c1ncco1)Nc1cccc(-c2ccccc2)c1,0.0
O=C(CCCCc1cc(C(=O)NO)no1)Nc1cnc2ccccc2c1,0.0
O=C(/C=C/c1ccc(NCCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(CCCCCC(=O)c1ncco1)Nc1cccc(-c2ccccc2)c1,0.0
O=C(CCCCCCNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)NO,0.0
O=C(/C=C/c1cccc(S(=O)(=O)Nc2ccccc2)c1)NO,0.0
Nc1ccc(-c2nccs2)cc1NC(=O)c1ccccc1,0.0
Cn1cc(C(=O)Cc2ccccc2)cc1/C=C/C(=O)NO,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2ccccc2)cc1)NO,0.0
O=C(CCCCCSc1nc(Cc2ccccc2)cc(=O)[nH]1)NO,0.0
O=C(/C=C/c1ccc(CNC(=O)c2ccccn2)cc1)NO,0.0
O=C(/C=C/c1ccc(-c2cccs2)cc1)NO,0.0
O=C(CCC1=CCCN(CCCCc2ccccc2)C1=O)NO,0.0
O=C(CCCCCSc1nc(-c2ccccc2)cc(=O)[nH]1)NO,0.0
O=C(CCC1=CCCN(CCCc2ccccc2)C1=O)NO,0.0
O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)NO,0.0
O=C(/C=C/c1ccc(CNCCc2coc3ccccc23)cc1)NO,0.0
O=C(CCCc1ccccc1)NCc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCCc2ccccc2)Cc2cccnc2)cc1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(CCCCCCOc1cccc(-c2ccccc2)c1)c1ncco1,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)NO,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NO,0.0
O=C1CN(Cc2ccc(C(=O)NO)cc2)c2ccccc2N1,0.0
O=C(CCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1cccc(C(=O)c2cc3ccccc3[nH]2)c1)NO,0.0
O=C(NO)c1ccc(NC(=O)c2ccccc2)cc1,0.0
O=C(CCCCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(NO)c1ccc(CNC(=O)c2cccc3ccccc23)cc1,0.0
Cn1c(/C=C/C(=O)NO)ccc1C(=O)Cc1ccccc1,0.0
O=C(CCC1=CCCN(CCc2ccccc2)C1=O)NO,0.0
O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2CCc2ccccc2)cc1,0.0
Cc1nc2ccccc2n1CC[NH2+]Cc1ccc(/C=C/C(=O)NO)cc1,0.0
O=C(CCCCCCN1c2cccc3cccc(c23)S1(=O)=O)NO,0.0
O=C(/C=C/c1ccc(CNC(=O)c2cccnc2)cc1)NO,0.0
O=C(NO)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1,0.0
O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO,0.0
COc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)c(OC)c1,0.0
O=C(CCCCCCC(=O)c1ncco1)Nc1cccc(-c2ccccc2)c1,0.0
O=C(/C=C/c1ccc(NCCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(CCCCCC(=O)c1ncco1)Nc1cccc(-c2ccccc2)c1,0.0
O=C(NO)c1ccc(CN2C(=O)CNC(=O)[C@H]2Cc2cccs2)cc1,0.0
Cn1cc(C(=O)Cc2ccccc2)cc1/C=C/C(=O)NO,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)NO,0.0
O=C(CCSc1nc(Cc2ccccc2)cc(=O)[nH]1)NO,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cnnn2Cc2ccccc2)c1)NO,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCc2c[nH]c3ccccc23)Cc2ccccc2)cc1)NO,0.0
O=C(CCCCCSc1nc(Cc2ccccc2)cc(=O)[nH]1)NO,0.0
O=C(/C=C/c1ccc(CNC(=O)c2ccccn2)cc1)NO,0.0
C[C@@H]1c2ccccc2C[C@@H]1C(=O)NCCCCCCC(=O)NO,0.0
O=C(CCC1=CCCN(CCCCc2ccccc2)C1=O)NO,0.0
O=C(CCCCCSc1nc(-c2ccccc2)cc(=O)[nH]1)NO,0.0
O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2Cc2cccs2)cc1,0.0
O=C(CCC1=CCCN(CCCc2ccccc2)C1=O)NO,0.0
O=C(/C=C/c1ccc(CNCCc2coc3ccccc23)cc1)NO,0.0
O=C(CCCc1ccccc1)NCc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1ccc(C[N@@H+](CCCc2ccccc2)Cc2cccnc2)cc1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1)NO,0.0
CC(C)n1c(-c2cccc(/C=C/C(=O)NO)c2)nc2ccccc21,0.0
O=C(CCCCCCOc1cccc(-c2ccccc2)c1)c1ncco1,0.0
O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@@H]2Cc2ccccc2)cc1,0.0
O=C(CCCCCCNC(=O)c1cc2cc(Cl)ccc2o1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(CCCCCCN1C(=O)c2ccccc2C1=O)NO,0.0
CC(C)(CCc1ccccc1)C(=O)Nc1ccc(C(=O)NO)cc1,0.0
O=C(CCCCCCSc1ccc2ccccc2c1)c1ncco1,0.0
CCc1ccccc1-c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1,0.0
O=C(/C=C/c1ccc(C[NH2+]CCc2ccc3c(c2)OCO3)cc1)NO,0.0
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,0.0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,0.0
C[C@](Cc1ccc(O)c(O)c1)(C(=O)[O-])[C@](C)(Cc1ccc(O)c(O)c1)C(=O)[O-],0.0
O=C(/C=C/c1ccc(O)c(O)c1)/C=C/c1ccc(O)c(O)c1,0.0
O=C(O[C@@H](C(=O)[O-])[C@@H](OC(=O)c1ccc(O)c(O)c1)C(=O)[O-])c1ccc(O)c(O)c1,0.0
O=C(c1cccc(Cc2ccccc2)c1)c1ccc2cccnc2c1O,0.0
O=C1c2c(c(O)c3ncccc3c2O)C(=O)N1Cc1ccc(F)cc1,0.0
O=C([O-])C(=O)CC(=O)c1cccc(Cc2ccccc2)c1,0.0
O=C(c1cccc(Cc2ccccc2)c1)c1ncc2cccnc2c1O,0.0
O=C([O-])C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12,0.0
COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C21CC1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)NC[C@@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-],0.0
O=C(/C=C/c1ccc(O)c(O)c1)O[C@H](C(=O)[O-])[C@H](OC(=O)/C=C/c1ccc(O)c(O)c1)C(=O)[O-],0.0
Cc1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1,0.0
COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)C2=O,0.0
C=C1c2c(c(O)c3ncccc3c2OC)C(=O)N1Cc1ccc(F)cc1,0.0
COc1c2c(c(O)c3ncc(F)cc13)C(=O)N(Cc1ccc(F)cc1)C2,0.0
O=C([O-])C(=O)CC(=O)c1cn(Cc2ccccc2)c(=O)[nH]c1=O,0.0
COc1c2c(c(O)c3ncccc13)C(=O)N(Cc1ccc(F)cc1)[C@@H]2O,0.0
O=C(Nc1ccc(O)c(O)c1)c1ccc2ccc(C(=O)[O-])c(O)c2n1,0.0
O=C([O-])C(=O)CC(=O)c1cccc(OCc2ccccc2)c1,0.0
[N-]=[N+]=[NH+][C@H]1C[C@H]([NH+]=[N+]=[N-])c2cc(C(=O)CC(=O)C(=O)[O-])ccc21,0.0
Cn1c([C@@H]2CCCC[N@@H+]2C)nc(C(=O)NCc2ccc(F)cc2)c(O)c1=O,0.0
O=C([O-])C(=O)CC(=O)c1csc(Cc2ccccc2)c1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)CC(=O)/C=C/c1ccc(O)c(O)c1,0.0
COc1c2c(c([O-])c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2,0.0
O=C(O[C@@H](C(=O)[O-])[C@@H](OC(=O)c1cc(O)c(O)c(O)c1)C(=O)[O-])c1cc(O)c(O)c(O)c1,0.0
O=C(NCc1ccc(F)cc1)c1nc(Cc2ccccc2)[nH]c(=O)c1O,0.0
O=C(NCc1ccccc1)c1nc(-c2ccccc2)[nH]c(=O)c1O,0.0
COc1ccc(/C=C2/C(=O)N(C(=O)c3ccccc3O)N=C2C)cc1OC,0.0
CN(C)C(C)(C)c1nc(=O)c(O)c(C(=O)NCc2ccc(F)cc2)[nH]1,0.0
O=C(NCc1ccccc1)c1nc(-c2cccs2)nc([O-])c1O,0.0
CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)CCCCCCC2,0.0
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
O=C(N[C@@H](CCCCNc1cccc2ccccc12)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,0.0
O=C1N[C@H](Cc2ccccc2)C(=O)[C@H]1Cc1ccccc1,0.0
CC[C@H](c1ccccc1)c1c([O-])oc2ccccc2c1=O,0.0
C=C[C@H](c1ccccc1)[C@H]1C(=O)C[C@](CCC)(CCc2ccccc2)OC1=O,0.0
O=c1oc2c(c(O)c1[C@@H](c1ccccc1)C1CC1)CCCCCC2,0.0
CC[C@H](c1cccc(NC(=O)CCn2ccc3ccccc32)c1)c1c([O-])oc2ccccc2c1=O,0.0
Cc1ccc(S(=O)(=O)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,0.0
CCCC1(CCC)CC(=O)[C@H]([C@H](CC)c2ccccc2)C(=O)O1,0.0
NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1,0.0
CC(C)(C)OC(=O)NCCC(=O)Nc1cccc([C@H](c2c([O-])oc3ccccc3c2=O)C2CC2)c1,0.0
CCC[C@]1(c2ccccc2)CC(=O)[C@H]([C@H](CC)c2ccccc2)C(=O)O1,0.0
CCCC1(CCC)CC(=O)[C@@H]([C@H](c2ccccc2)C2CC2)C(=O)O1,0.0
O=C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])OCc1ccccc1,0.0
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)CCCCCC2,0.0
O=C(CCC[N@H+]1CC[C@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,0.0
Cc1ccc(S(=O)(=O)/N=C(\N)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
NC(=O)c1[nH]c2ccc(Cl)cc2c1Sc1ccccc1,0.0
O=C([O-])CCCC[C@@]1(c2ccccc2)CC(=O)[C@@H](SCCc2ccccc2)C(=O)O1,0.0
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)C(=O)Cc2ccccc2)C(=O)[O-])cc1,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,0.0
O=c1oc2c(c(O)c1[C@@H](c1cccc([N-]S(=O)(=O)C3CCCCC3)c1)C1CC1)CCCCCC2,0.0
CCC[C@]1(CCc2ccccc2)CC(=O)[C@H]([C@H](c2ccccc2)C2CC2)C(=O)O1,0.0
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,0.0
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)NCCc2ccccc2)C(=O)[O-])cc1,0.0
CC(C)CN([C@@H](CCCCNC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])S(=O)(=O)c1cccs1,0.0
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CSc2ccccc2)C(=O)[O-])cc1,0.0
O=S(=O)(c1ccccc1)c1c(C2=[NH+]CCN2)[nH]c2ccc(Cl)cc12,0.0
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)CNc2ccccc2)C(=O)[O-])cc1,0.0
Cc1ccc(S(=O)(=O)N(CC(C)C)[C@@H](CCCCNC(=O)[C@@H](N)Cc2ccccc2)C(=O)[O-])cc1,0.0
O=c1oc(-c2ccccc2)cc([O-])c1[C@H](CC1CC1)SC1CCCC1,0.0
Nc1nc(=O)n([C@@H]2C=C(F)[C@@H](CO)O2)cc1F,0.0
O=C(N[C@H](Cc1ccccc1)C(=O)C(F)(F)C(=O)NCc1ccccc1)OCc1ccccc1,0.0
O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(c2ccccc2)O3)N1,0.0
N#Cc1c(N)cccc1S(=O)(=O)c1ccc2ccccc2c1,0.0
O=C(OCCc1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,0.0
CCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C,0.0
Cc1c([C@H](C)c2c(F)cccc2F)nc(SC2CCCC2)[nH]c1=O,0.0
CCc1cc(NCc2ccc3ccccc3n2)c(=O)[nH]c1C,0.0
Cc1c(Cc2c(F)cccc2F)nc(SC2CCCCC2)[nH]c1=O,0.0
O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(C2CC2)O3)N1,0.0
CCc1cc(CCc2ncc(-c3ccccc3)o2)c(=O)[nH]c1C,0.0
O=C(CC(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[n-]n1,0.0
Nc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1,0.0
CCc1cc(CCc2cc3ccccc3o2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2cc3ccccc3s2)c(=O)[nH]c1C,0.0
C#C[C@]1(CO)O[C@@H](n2cnc3c(N)nc(N)nc32)C[C@H]1O,0.0
O=c1cc(Cc2c(Cl)cccc2Cl)nc(SC2CCCC2)[nH]1,0.0
CCc1cc(NCc2nc3ccccc3s2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2nc3c(cc2OC)CCC3)c(=O)[nH]c1C,0.0
NC(=O)c1[nH]c2ccc(Cl)cc2c1S(=O)(=O)c1ccccc1,0.0
CCc1cc(CCc2nc3ccccc3s2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2cc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2cc3c(cc2OC)CCC3)c(=O)[nH]c1C,0.0
CCc1cc(NCc2nc3c(o2)CCCC3)c(=O)[nH]c1C,0.0
CCc1cc(NCc2nc3c(cc2OC)CCCC3)c(=O)[nH]c1C,0.0
CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23,0.0
CCc1cc(NCc2ccc3ccccc3c2)c(S)nc1C,0.0
Cc1cc(C)c2c(c1)-c1ccccc1/C2=C\[C@@H]1C[C@@H](O)CC(=O)O1,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2Cc2ccccc2)O1,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2Oc2ccccc2)O1,0.0
Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C2CCCCCC2)c1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2CCc2ccccc2)O1,0.0
O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1CC1CCCCC1,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCC2CCCCC2)O1,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)c3ccc(Cl)cc23)O1,0.0
CC(C)C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])=C(c1ccc(F)cc1)c1ccc(F)cc1,0.0
O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(=O)C1CCCCC1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2cccs2)O1,0.0
O=C([O-])C[C@H](O)C[C@H](O)CCc1c(Cl)cc(Cl)cc1OCc1ccccc1,0.0
Cc1cc(C)c(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(C)c2)c1,0.0
C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)C2CC2)C1,0.0
O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(F)=C1CCCCC1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCCc2ccccc2)O1,0.0
CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)cn1C(C)C,0.0
C/C=C/[C@@H]1C[C@H](OC(=O)C(C)(C)CC)[C@@H]2[C@@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@@H](C)C=C[C@H]2C1,0.0
C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)c2ccc(F)cc2)C1,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccco2)O1,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)C1N=NN=N1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(OCc3ccccc3)cc2Cl)O1,0.0
Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c([C@H](CC(C)C)c2ccc(F)cc2)c1,0.0
CCC(C)(C)C(=O)O[C@H]1C[C@@H](C)C(=O)[C@@H]2CC[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]12,0.0
CC(C)c1c(Br)c(Br)c(-c2ccc(F)cc2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1,0.0
CC(C)c1cc(-c2ccc(F)cc2)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)c1,0.0
CC(C)n1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(-c2ccccc2)c1C(=O)NC1CC1,0.0
CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)cn1C1CCCCC1,0.0
CC(C)c1c(Br)c(Br)c(-c2ccc(F)cc2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1nc(Nc2ccon2)nc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1c(C(=O)NCc2ccccc2)c2c(n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-])CCCCC2,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1,0.0
CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)nc2ccccc12,0.0
Cc1cc(-c2ccc(F)cc2)c(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C(C)C)[n+]1[O-],0.0
O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1[C@@H](CCOc1ccc(F)cc1)c1ccc(F)cc1,0.0
C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OC(=O)Cc2ccccc2)C1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2-c2ccc(F)cc2)O1,0.0
Oc1ccc2c(-c3cc(Br)c(O)cc3O)noc2c1,0.0
Oc1ccc2c(-c3cc(Cl)c(O)cc3O)noc2c1,0.0
C[NH+]1CCN(c2ccc3onc(-c4cc(Cl)c(O)cc4O)c3c2)CC1,0.0
C[C@@H]1C[C@@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,0.0
CCc1cc(-c2n[nH]cc2-c2c[nH]cn2)c(O)cc1O,0.0
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cc(Cl)ccc1Cl,0.0
CCCCn1c(Sc2nc3cccc(F)c3s2)nc2c(N)ncnc21,0.0
C#CCCCn1c(Sc2cccc(OC)c2)nc2c(N)ncnc21,0.0
CCc1cc(-c2[nH]nc(C)c2-c2cccc3c2OCCO3)c(O)cc1O,0.0
CCc1cc(-c2n[nH]c(C(=O)[O-])c2-c2ccc3c(c2)OCO3)c(O)cc1O,0.0
C#CCCCn1c(Sc2cc(OC)ccc2OC)nc2c(N)ncnc21,0.0
C#CCCCn1c(Sc2cc3c(cc2Br)OCO3)nc2c(N)ncnc21,0.0
CC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1,0.0
Oc1cc(O)c(-c2n[nH]cc2N2CCN(Cc3ccccc3)CC2)cc1Cl,0.0
CCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cccc(C)c3s2)nc2c(N)ncnc21,0.0
COc1ccc(-c2c(C)n[nH]c2-c2cc(Cl)c(O)cc2O)cc1,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCO,0.0
CCCCn1c(Sc2nc3cccc(OC)c3s2)nc2c(N)ncnc21,0.0
C#CCCCn1c(Sc2cc(OC)ccc2Cl)nc2c(N)ncnc21,0.0
C#CCCCn1c(Sc2cc(OC)ccc2Br)nc2c(N)ncnc21,0.0
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCCO,0.0
Cc1[nH]nc(-c2cc(Cl)c(O)cc2O)c1-c1ccc2c(c1)OCCO2,0.0
CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(Cl)c(O)cc3O)CC2)cc1,0.0
CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc21,0.0
C#CCCCn1c(Sc2cc(OC)ccc2I)nc2c(N)ncnc21,0.0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(N)=O)cc1,0.0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)NC(C)C)cc1,0.0
CCOc1ccc(-c2snnc2-c2cc(CC)c(O)cc2O)cc1,0.0
COc1ccc(-c2c(-c3cc(Cl)c(O)cc3O)n[nH]c2C(=O)[O-])cc1,0.0
CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CC(=O)OCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CC(=O)OCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CCOc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,0.0
CCCCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc21,0.0
N#CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCCCO,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CC[NH2+]C1CC1,0.0
CC(=O)OCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
Cc1csc(Nc2ncnc3ccc(Oc4ccc(F)cc4)cc23)n1,0.0
O=C([O-])c1ccc(NC(=O)c2cc(OCc3ccccc3F)cc(OCc3ccccc3F)c2)nc1,0.0
Cc1csc(Nc2ncnc3ccc(Oc4ccccc4F)cc23)n1,0.0
O=C([O-])c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)nc1,0.0
CC(C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Cl)cc23)n1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4F)cc23)n1,0.0
Cn1cnnc1Sc1ccc2ncnc(Nc3nccs3)c2c1,0.0
Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2ncns2)c1,0.0
Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2ccccn2)c1,0.0
CCSc1ccc(N)c(C(=O)Nc2nc(C)cs2)c1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4CO)cc23)n1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4F)cc23)n1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Br)cc23)n1,0.0
Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2nccs2)c1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cccn[nH+]3)c2c1,0.0
Cc1nsc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1,0.0
Cc1csc(Nc2ncnc3ccc(Sc4nncn4C)cc23)n1,0.0
Cc1csc(NC(=O)c2cc(Sc3ncc[nH]3)ccc2N)n1,0.0
Cc1cnc(NC(=O)c2cc(Sc3nncn3C)ccc2N)s1,0.0
CC(C)Oc1cc(OCCC2CCCC2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cc1ccc(N(CC2CCCC2)C(=O)Nc2ncc(Cl)s2)cc1Cl,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnccn3)c2c1,0.0
Cc1cccc(C#N)c1Oc1ccc2ncnc(Nc3ccn(C)n3)c2c1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3ccccn3)c2c1,0.0
CC(C)Oc1cc(OCc2ccccc2F)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1,0.0
CCS(=O)(=O)c1ccc(Oc2cc3[nH]c(-c4ccccn4)nc3cc2CN(C)C(C)=O)cc1,0.0
Cc1csc(NC(=O)c2cc(Sc3ccccc3)ccc2N)n1,0.0
CC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cc1csc(NC(=O)c2cc(Sc3ccccn3)ccc2N)n1,0.0
Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2Sc2ccc(F)cc2)n1,0.0
COC[C@H](C)Oc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cc1csc(Nc2ncnc3ccc(Oc4ccccc4S(C)(=O)=O)cc23)n1,0.0
Cc1csc(NC(=O)c2cc(Sc3nccn3C)ccc2N)n1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnc(Cl)cn3)c2c1,0.0
Cc1cnc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)cn1,0.0
CC(=O)Nc1cccc(N(CC2CCCC2)C(=O)Nc2ncc(Cl)s2)c1,0.0
O=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Sc1cccc(F)c1,0.0
CC(C)Oc1cc(O[C@H](C)Cc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CC(C)Oc1cc(OCCCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CC(C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1,0.0
O=C1NC(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)S1,0.0
Nc1nccn2c(C3CCC3)nc(-c3cccc(O)c3)c12,0.0
Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1O,0.0
Oc1ccc(CN(Cc2ccc(O)c(O)c2)c2ccc3c(c2)OCO3)cc1O,0.0
COc1cc2[nH+]c(Nc3cc(C)[nH]n3)nc(Nc3cccc(-c4nc5ccccc5s4)c3)c2cc1OC,0.0
NC(=O)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2[nH+]1,0.0
Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)cc3)cc[nH+]c2c1,0.0
CN(C)C(=O)c1cccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5-c5ccccc5)c4)c3c2)c1,0.0
O=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)c1)Nc1ccccc1Oc1ccccc1,0.0
[NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5cccc(Cl)c5)c4)c3c2)cc1,0.0
Cc1cc(C(=O)NC2CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
COc1cc2c(cc1Nc1nc(Nc3cccc4c3C(=O)NC4)c3cc[nH]c3n1)N(C(=O)C[NH+](C)C)CC2,0.0
O=C(Nc1ccccc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2[nH+]1,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCc4ccccn4)cc[nH]c3=O)nc12,0.0
Nc1ncnc2c1c(-c1ccc(OCc3ccccc3)cc1)cn2[C@H]1C[C@H](C[NH+]2CCC2)C1,0.0
Cc1cc(N2CCN(CCC#N)CC2)cc2nc(-c3c(NC[C@@H](O)c4ccccc4Cl)cc[nH]c3=O)[nH]c12,0.0
[NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5ccccc5Oc5ccccc5)c4)c3c2)cc1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1CC[C@H](CN2CCOCC2)CC1,0.0
COc1ccc(CCOc2ccc3c(c2)c(CC[NH3+])cn3CCCCCc2ccc(SC)cc2)cc1,0.0
O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCc4ccccn4)cc[nH]c3=O)nc12,0.0
COc1cc2c(cc1Nc1nc(Nc3cccc(F)c3C(N)=O)c3cc[nH]c3n1)N(C(=O)C[NH+]1CCC1)CC2,0.0
O=C(c1ccc(F)nc1)N1CCC[C@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1,0.0
CCC[N@H+]1CC[C@H](Oc2ccc(OC)c(Nc3nc(Nc4cccc(F)c4C(N)=O)c4cc[nH]c4n3)c2)CC1,0.0
CCC[N@H+]1CC[C@H](c2ccc(Nc3nc(Nc4ccsc4C(N)=O)c4cc[nH]c4n3)c(OC)c2)CC1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1C[C@H](C[NH3+])C1,0.0
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1,0.0
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H]([NH+]2CCCC2)C1,0.0
Cc1cc(N2CC[NH+](CCCO)CC2)cc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](C[NH+]2CCCC2)C1,0.0
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H]([NH+]2CCC2)C1,0.0
CCC[N@H+]1CC[C@H](c2ccc(Nc3nc(Nc4cc(F)ccc4C(N)=O)c4cc[nH]c4n3)c(OC)c2)CC1,0.0
CCC[N@@H+]1CCC[C@@H](c2ccc(Nc3nc(Nc4cc(F)ccc4C(N)=O)c4cc[nH]c4n3)c(OC)c2)C1,0.0
COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc(Nc2ccccc2-n2[nH]c(=O)c3ccccc32)c2cc[nH]c2n1,0.0
CCC[N@@H+]1CCC=C(c2ccc(Nc3nc(Nc4ccccc4C(N)=O)c4cc[nH]c4n3)c(OC)c2)C1,0.0
COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc(Nc2cc(F)c(F)cc2C(N)=O)c2cc[nH]c2n1,0.0
O=C(Nc1ccc(F)nc1)[C@@H]1CCC[C@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1,0.0
C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(S(=O)(=O)c3cc(F)cc(F)c3)CC4)cc2)CC1,0.0
O=C(c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(=O)C(=O)[O-])c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(C)=O)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc([N+](=O)[O-])c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(N)cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccnc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc(NC(C)=O)c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2N)c(O)c1,0.0
CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccncc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc(N)c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2[N+](=O)[O-])c(O)c1,0.0
CCCCCCc1ccc(Oc2cnccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ncccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc(NC(=O)C(=O)[O-])c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc([N+](=O)[O-])cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2nc(OC)cc(OC)n2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(=O)C(=O)[O-])cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(C)=O)cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ncccn2)c(OC)c1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCCCC2)C1,0.0
O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
Cc1ccc(Cl)cc1NC(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(=O)c2ccno2)c(O)c1,0.0
Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C,0.0
CCCCCCc1ccc(Oc2cccc(NC(=O)c3ccno3)c2)c(O)c1,0.0
O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
O=C(Nc1cc(Cl)cc(Cl)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
O=C(c1ccc2[nH]ccc2c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,0.0
CCCCCCc1ccc(Oc2ccc(NC(=O)c3ccno3)cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(CN3CC[NH+](C)CC3)cc2)c(O)c1,0.0
O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@H]2C3)C1,0.0
O=C(Nc1cccc(Cc2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1,0.0
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1c(F)cccc1Cl,0.0
C[C@@]1(Cc2ccccc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ccccc21,0.0
NC(=O)C[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)[O-],0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3cc4[nH]c(=O)[nH]c4cc3Cl)c(Cl)c2)CC1,0.0
Clc1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1,0.0
O=C(/C=C/c1ccc(Sc2ccccc2CN2CCOCC2)c(Cl)c1)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OC3CCCCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCO4)c(Cl)c2)CC1,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4[nH]ccc4c3)c(Cl)c2)CC1,0.0
CC(C)c1ccccc1SC1=CC=C(/C=C/C(=O)N2CCC(C(=O)[O-])CC2)[C@@H](F)[C@@H]1F,0.0
CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)NCCCC(=O)[O-])c(Cl)c1Cl,0.0
O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCCn1cc[nH+]c1,0.0
O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)NCCCN1CCCC1=O,0.0
CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)NCCCN2CCCC2=O)c(Cl)c1Cl,0.0
O=C(NC[C@H](NC(=O)c1c(Cl)cc(CC[C@H](O)c2cccc(O)c2)cc1Cl)C(=O)[O-])c1cccs1,0.0
Nc1cccc(Sc2ccc(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)c1,0.0
CC(C)c1ccccc1Sc1ccc(-c2cc(NCCCn3cc[nH+]c3)ncn2)cc1C(F)(F)F,0.0
O=C(N[C@@H](CNC(=O)C1CCCCC1)C(=O)[O-])c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2,0.0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CNC[C@@H]2c1ccc(C#N)cc1,0.0
O=C(NCCCN1CCCC1=O)[C@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCCC2)c(C(F)(F)F)c1,0.0
C[NH+]1CCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)cc2C(F)(F)F)CC1,0.0
O=C(NCCCN1CCCC1=O)[C@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCOCC2)c(C(F)(F)F)c1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccccc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2ccc3c(c2)OCCO3)c(C(F)(F)F)c1)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccccn3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(C/C=C/c2ccncc2)[C@@H](CC(C)C)C1=O,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3cccnc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(NC3CCCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
CC(=O)N1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)CC1,0.0
CC(=O)NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)[O-],0.0
O=C(/C=C/c1ccc(Sc2cccc(NC3CCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=CN1CCN(Cc2ccccc2Sc2ccc(/C=C/C(=O)N3CCOCC3)cc2Cl)CC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OC3CC[NH2+]CC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OC3CCOCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(NC3CCCCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OC3CCSCC3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(NC[C@H](NC(=O)c1c(Cl)cc2c(c1Cl)CCN(C(=O)c1ccc(Cl)cc1)C2)C(=O)[O-])c1ccco1,0.0
C[C@@H](Nc1nccc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
Nc1nn2cccnc2c1-c1cc(N[C@@H]2CCc3ccccc32)ncn1,0.0
C[C@H](Nc1ccnc(-n2cnc3cnccc32)n1)c1ccccc1,0.0
C[C@@H](Nc1cc(-c2c(N)nn3cccnc23)ncn1)c1ccc(F)cc1,0.0
Nc1nn2cccnc2c1-c1cc(NCc2cccnc2)ncn1,0.0
Nc1nn2cccnc2c1-c1cc(OCc2ccc(F)cc2)ncn1,0.0
Nc1nn2cccnc2c1-c1cc(NCc2ccccn2)ncn1,0.0
CC(C)Nc1cc(-c2c(N)nn3cccnc23)ncn1,0.0
Nc1nn2cccnc2c1-c1cc(N2CCOCC2)ncn1,0.0
Nc1nn2cccnc2c1-c1cc(N2CCC[C@@H]2c2ccc(F)cc2)ncn1,0.0
Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1,0.0
Clc1cnc2[nH]cc(-c3ccccc3)c2c1,0.0
Oc1ccc([C@H]2Nc3ccccc3-c3ccnc4[nH]cc2c34)cc1F,0.0
Oc1ccc([C@H]2Nc3ccccc3-c3ncnc4[nH]cc2c34)c(F)c1,0.0
Cc1cc(Nc2cnc(C#N)c(N[C@H](C)c3ccc(F)cn3)n2)n[nH]1,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,0.0
c1ccc(-c2ncnc3[nH]ccc23)cc1,0.0
Cc1cnc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)s1,0.0
Oc1ccc(C2=Nc3ccccc3-c3ncnc4[nH]cc2c34)c(Cl)c1,0.0
O=c1[nH]ccc2c3[nH]c(-c4c(F)cccc4Cl)nc3c3ccc(F)cc3c12,0.0
COC(=O)[C@@H]1CCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1,0.0
C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1,0.0
COC(=O)C[C@H]1Nc2ccccc2-c2ccnc3[nH]cc1c23,0.0
O=C1Nc2ccccc2-c2ccnc3[nH]cc(c23)[C@H]1c1ccc(O)cc1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
Nc1[nH][nH+]c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12,0.0
N#CCNC(=O)c1ccc(-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)cc1,0.0
CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,0.0
CS(=O)(=O)[N-]c1ccc(-c2ccnc(Nc3cccc(C[NH+]4CCCC4)c3)n2)cc1,0.0
COc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1O,0.0
CS(=O)(=O)[N-]c1ccc(-c2ccnc(Nc3ccc(CN4CCS(=O)(=O)CC4)cc3)n2)cc1,0.0
Cc1cc(-c2cnc3cccc(-c4ccc(CN5CCS(=O)(=O)CC5)cc4)c3n2)ccc1C(=O)N1CC[NH+](C)CC1,0.0
CS(=O)(=O)[N-]c1ccc(-c2ccnc(Nc3cccc(C[N@H+]4CC[C@H](O)CC4)c3)n2)cc1,0.0
CS(=O)(=O)[N-]c1ccc(-c2ccnc(Nc3cccc(CN4CCOCC4)c3)n2)cc1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)O3)cc1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F,0.0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1,0.0
NC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1,0.0
CC(C)(C)c1ccc2c(c1)[nH]c1ccccc12,0.0
CC(C)(C)c1ccc2[nH]c3ccccc3c2c1,0.0
CC1(C)Oc2ccc(-c3ccc(NS(N)(=O)=O)cc3)cc2O1,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccsc1)N2,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cccs1)N2,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1nccs1)N2,0.0
CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(O)c2)NC(=S)N1C,0.0
CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCC[NH3+])c1ccccc1,0.0
CC(=O)N1CC[NH+](CCC[C@@]2(c3ccccc3)CC(c3cc(F)ccc3F)=NN2C(C)=O)CC1,0.0
CC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@H]1c1c[nH]c2ccccc12,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[NH3+])c1ccccc1,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCCN1CC(F)C1)c1ccccc1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1,0.0
CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCC[NH+](C)C)c1ccccc1,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1,0.0
[NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccccc1)C(=O)[O-],0.0
CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN1CCOCC1)c1ccccc1,0.0
Oc1cccc([C@H]2c3[nH]c4ccc(Cl)cc4c3CCN2Cc2ccccc2)c1,0.0
CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CCC[NH3+])c1ccccc1,0.0
CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCCN1CC[NH2+]CC1)c1ccccc1,0.0
[NH3+]CCC(=O)N1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1C1CCCCC1,0.0
CC1(C)CC(=O)C2=C(C1)NC(=S)N[C@@H]2c1cccc(O)c1,0.0
CN(C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC[NH2+]CC1,0.0
[NH3+][C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1)C1CC1,0.0
CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(O)c2)NC(=S)N1C,0.0
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,0.0
O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1cccs1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCCN1CC(F)C1)c1ccccc1,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
CNc1nccc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)n1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccccc1NCc1ccncc1,0.0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1,0.0
Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,0.0
c1cn(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)cn1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ncccc3[O-])cc2)no1,0.0
COc1cc2ncnc(Oc3ccc(NC(=O)NC(=O)c4ccccc4C)cc3)c2cc1OC,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,0.0
COc1cc2[nH+]ccc(Oc3ccc(NC(=O)NC(=O)c4ccccc4C)cc3)c2cc1OC,0.0
CNC(=O)c1cc(CNc2c(C(=O)Nc3ccc4c(c3)OC(F)(F)O4)cnn2C)ccn1,0.0
[NH3+][C@H](CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1ccnc(C2=[NH+]CCN2)c1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ncsc1NCc1ccncc1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)ccn4c3N)cc2)c1,0.0
CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCC[N@@H+]5C)c4)nc3c2)ccn1,0.0
Cc1ccc(C(=O)NCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1,0.0
Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOCC3)[nH+]ncc2c1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,0.0
CCc1ccc(-c2c(-c3cnc(C)[nH]3)c(=O)[nH]c3ccc(Cl)cc23)cc1,0.0
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(/C=C/c3ccccc3)n2)[nH]n1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
O=C(Nc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3ccc(CN4CCOCC4)c4[nH+][nH]c(N)c34)cc2)c1,0.0
COc1cc2[nH+]ccc(Oc3ccc(NC(=O)OCCC4CCCCC4)cc3)c2cc1OC,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCCN4CCCC4=O)c4[nH+][nH]c(N)c34)cc2)c1,0.0
CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
Cc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(N)nc1,0.0
O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3ccc(OCC[NH+]4CCCC4)c4[nH+][nH]c(N)c34)cc2)c1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,0.0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,0.0
CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cc4ccccc4cn3)cc2)no1,0.0
O=C(Nc1ccc(Oc2ccccc2)cc1)Nc1ccc2c(c1)NC(=O)/C2=C\c1ccc[nH]1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cncnc1,0.0
O=c1[nH]c(Nc2cccc(C(F)(F)F)c2)nc2[nH]cnc12,0.0
O=c1[nH]c(Nc2cccc(CC(F)(F)F)c2)nc2[nH]cnc12,0.0
O=c1[nH]c(Nc2cccc(Cl)c2)nc2[nH]cnc12,0.0
O=c1[nH]c(Oc2ccccc2)nc2c1ncn2CCCCO,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCO,0.0
C=CCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21,0.0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1/C=C/Br,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO)O1,0.0
COCCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21,0.0
O=c1[nH]c(Nc2ccc(Br)cc2)nc2[nH]cnc12,0.0
[O-]c1nc(Sc2ccccc2)nc2c1ncn2CCCCO,0.0
O=c1[nH]c(=O)n([C@H]2O[C@H](CO)[C@H](O)[C@@H]2F)cc1I,0.0
CCc1cn([C@H]2O[C@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
Cc1cn([C@H]2O[C@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
Cc1cn(C/C=C\COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O,0.0
Cc1cn([C@@H]2C[C@@H](O)[C@@H](CO)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3-c3ccccc3)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1I,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3C(F)(F)F)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](CO)[C@@H](O)C2)cc1I,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3F)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3c(C)cccc3C)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3C)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCN1CCCc2ccccc21,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4-c4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3Cl)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Cc4ccccc43)O2)c(=O)[nH]c1=O,0.0
N#C[C@]1(c2ccccc2)CC[N@H+](CCCCn2cnc3c(=O)[nH]c(Nc4ccccc4)nc32)CC1,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@H](C)Oc3cc(OC)c(Cl)cc3Cl)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3OC)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Oc4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
Cc1cn(C/C=C/COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3c(Cl)cccc3Cl)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@@H+]1CCCC[C@@H]1CCO,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4N(C)c4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Sc4ccccc43)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@H+]1CCCC[C@H]1c1ccccc1,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Oc4c(OC)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Sc4c(Cl)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4Oc4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4CCc4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4Sc4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4ccccc4C(C)(C)c4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
Cc1cn(Cc2ccccc2COC(c2ccccc2)(c2ccccc2)c2ccccc2)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4cccc(Cl)c4Oc4c(Cl)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCc2ccccc2-1,0.0
O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)CCc1ccccc1-3,0.0
NC(N)=[NH+]CCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,0.0
COc1ccc(C2=NOC(=O)/C2=C\c2cccs2)cc1,0.0
O=C(OCCCCc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
CC(C)[C@H]1C(=O)N[C@H](CO)Cc2cn3ncc4ccc(c2c43)N1C,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1COC3,0.0
CC(C)=C1C[C@@](CO)(COC(=O)CCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
CC(C)[C@H]1C(=O)N[C@H](CO)C[C@@H]2CNc3cccc(c32)N1C,0.0
O=C1NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CS(=O)(=O)C3,0.0
CCCCCCCCCCc1cccc2c1C[C@@H](CO)OC(=O)[C@H](C(C)C)N2C,0.0
CN1[C@H]2CC[C@@H]1n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4=O,0.0
CC(C)=C1C[C@@](CO)(COC(=O)CCCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
Cc1cccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c1,0.0
CCCCCCCCCCCCCC[C@H]1C(=O)O[C@@H](CO)[C@@H]1OC(C)=O,0.0
O=C1NCc2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CS(=O)(=O)C3,0.0
C[NH+]1CCN(C[C@@H]2CCn3cc(c4ccccc43)C3=C(C(=O)NC3=O)c3cn(c4ccccc34)CCO2)CC1,0.0
Cn1cc(C2=C(c3cn([C@H]4CC[N@H+](Cc5ccccc5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
NC(=[NH2+])NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@]([NH3+])(Cc3ccccc3)CN12,0.0
CC(C)[C@H]1/C([S-])=N/[C@H](CO)Cc2c[nH]c3cccc(c23)N1C,0.0
CC(C)=C1C[C@@](CO)(COC(=O)c2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
O=C(O[C@@H]1C[NH2+]C[C@@H]1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
O=C(N[C@H]1CCC[C@H]1OCc1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)c1ccc(O)cc1,0.0
O=C1NC(=O)C(c2cn(CCCn3cc[nH+]c3)c3ccccc23)=C1Nc1ccccc1,0.0
O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccccc1Cl,0.0
CCCCCCCCc1ccc2c3c(c[nH]c13)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C,0.0
O=C1NC(=O)C(c2cn(CCC[NH+]3CCCC3)c3ccccc23)=C1Nc1ccccc1,0.0
O=C(O[C@@H]1CCC[C@@H]1Oc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
[NH3+][C@@H]1C[C@@H](NC(=O)c2ccc(O)cc2)[C@H](OC(=O)c2cc(O)c(C(=O)c3c(O)cccc3C(=O)[O-])c(O)c2)C1,0.0
O=C(N[C@@H]1CCC[C@H]1COC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)c1ccc(O)cc1,0.0
COc1cc(Nc2nccc(-c3ccc(NCC[NH3+])nc3)n2)cc(OC)c1OC,0.0
O=C(O[C@@H]1CCC[C@@H]1Cc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
O=C(N[C@@H]1Cc2ccccc2[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)c1ccc(O)cc1,0.0
O=C(Nc1nc2ccccc2n2cncc12)c1ccccc1Br,0.0
Cc1ccc(O)cc1Nc1nccc(-c2noc3ccccc23)n1,0.0
Cc1ccc(O)cc1Nc1nccc(-n2cnc3ccccc32)n1,0.0
O=C([O-])c1cc(CCc2ccc(O)c(O)c2)ccc1O,0.0
C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)C1CCCCC1,0.0
NC(=O)c1cccc(Nc2nccc(Nc3cccc4n[nH]nc34)n2)c1,0.0
Cc1ccccc1-c1ccc2nc(N)ncc2c1,0.0
C[C@H](Nc1nccc(-n2cnc3ccc(N)cc32)n1)c1ccccc1,0.0
c1cncc(Nc2nc3ccccc3n3cncc23)c1,0.0
O=C([O-])c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
O=C([O-])c1cc(/C=C/c2cc(O)ccc2O)ccc1O,0.0
COc1c(C=O)c(O)cc2c1C(=O)c1ccccc1C2=O,0.0
c1cncc(-c2nc3ccccc3n3cncc23)c1,0.0
c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1,0.0
CC(C)(C)n1cc(-c2ccc(Cl)cc2)c2c(N)ncnc21,0.0
COc1ncc2c(n1)nc(Nc1c(C)cccc1Cl)c1cncn12,0.0
Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1,0.0
Cc1cccc(C)c1Nc1ncc(-c2ccccc2)n2cncc12,0.0
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21,0.0
Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnnc2)s1,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccnc2)s1,0.0
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21,0.0
O=C(c1ccc2ccccc2c1)N1CCC[C@@H](CNc2nccc(-n3cnc4ccccc43)n2)C1,0.0
Cc1cccc(Cl)c1Nc1nc2cccc(OCc3ccccc3)c2n2cncc12,0.0
Cc1cccc(Cl)c1Nc1nc2cc3c(cc2n2cncc12)OCCO3,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CCCCC2)s1,0.0
Cc1cccc(Cl)c1Nc1nc2ncccc2n2cncc12,0.0
COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(F)c3)c1C2,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CC2)s1,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccc2)s1,0.0
CC1=NN(C)[C@@H]2[C@H]1N/C(=N\c1c(C)cccc1Cl)c1cnc(C)n12,0.0
Cc1cccc(Cl)c1Nc1nc2cnccc2n2cncc12,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1,0.0
NC(=O)c1cccc(Nc2nccc(Nc3cccc4ncccc34)n2)c1,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC,0.0
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(NC(=O)NCc3ccco3)sc2c1,0.0
c1ccc2sc(Oc3ccc(OCC[NH+]4CCCCCC4)cc3)nc2c1,0.0
C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1ccc(Cc2ccccc2)cc1,0.0
O[C@H]1CC[N@H+](CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CN1C(=O)c2ccccc2C1=O,0.0
NC(=O)[C@H]1CC[N@H+](CCOc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
c1ccc(Cc2ccc(OCCc3ccncc3)cc2)cc1,0.0
O=c1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2[nH]1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(Nc2ccccc2)cc1)C(=O)[O-],0.0
c1ccc(Cc2ccc(OCCn3cncc4ncnc3-4)cc2)cc1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)Cn1cccc1,0.0
c1ccc(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)cc1,0.0
c1ccc(Cc2ccc(OCCn3ccnc3)cc2)cc1,0.0
c1cc(OCC[NH+]2CCCC2)ccc1CC1CCCCC1,0.0
c1ccc(Cc2ccc(OC[C@@H]3C[NH2+]CCN3)cc2)cc1,0.0
O=C(c1ccncc1)c1ccc(OCC[NH+]2CCCC2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cnc4ncncc43)cc2)cc1,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N1CCCC[C@H]1C(=O)[O-])NO,0.0
c1ccc(Cc2ccc(OCCn3c[nH+]c4ccncc43)cc2)cc1,0.0
c1ccc(Cc2ccc(OCCN3C[C@@H]4C[C@H]3C[NH2+]4)cc2)cc1,0.0
c1ccc(Cc2ccc(OC[C@H]3CCC[NH2+]3)cc2)cc1,0.0
c1ccc2sc(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1,0.0
c1ccc2oc(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1,0.0
c1ccc(-c2cccc(OCC[NH+]3CCCC3)c2)cc1,0.0
c1ccc(CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)CC(=O)[O-],0.0
c1ccc(Cc2ccc(OCCN3CC[NH2+]CC3)cc2)cc1,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)C(=O)[O-])NO,0.0
c1ccc(Cc2ccc([C@H]3C[C@H]([NH+]4CCCC4)C3)cc2)cc1,0.0
c1ccc(Cc2ccc(OCC[n+]3ccc4[nH]cnc4c3)cc2)cc1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1nc[nH]n1,0.0
FC(F)(c1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1,0.0
c1cncc(Cc2ccc(OCC[NH+]3CCCC3)cc2)c1,0.0
c1ccc(Cc2ccc(CCC[NH+]3CCCC3)cc2)cc1,0.0
c1ccc2oc(Oc3ccc(OCC[NH+]4CCCCCC4)cc3)nc2c1,0.0
c1ccc2[nH]c(Oc3ccc(OCC[NH+]4CCCCC4)cc3)nc2c1,0.0
c1ccc(COc2ccc(OCC[NH+]3CCCC3)cc2)cc1,0.0
c1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)cc1,0.0
c1ccc2sc(Oc3ccc(OCC[NH+]4CCCC4)cc3)nc2c1,0.0
c1ccc(Oc2ccc(OCC[NH+]3CCCC3)cc2)cc1,0.0
N[C@@H](Cc1ccc(OCc2ccccc2)cc1)C(=O)C(=O)OCc1ccccc1,0.0
[O-][n+]1ccc2c(c1)ncn2CCOc1ccc(Cc2ccccc2)cc1,0.0
c1ccc(CSc2ccc(OCC[NH+]3CCCC3)cc2)cc1,0.0
C[C@H]1CNc2c(sc3ccc4ncccc4c23)C(=O)N1,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cccnc4)c3)cc21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccncc4)c3)cc21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cncnc4)c3)cc21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccc(O)cc4)c3)cc21,0.0
C[C@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1,0.0
[H]/N=C1/C[C@H]2Oc3cc(O)c(O)cc3C[C@H]2C(N)=C1C#N,0.0
C[C@H]1CNc2c(sc3ccc4c(c23)CCO4)C(=O)N1,0.0
C[C@@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1cccc(O)c1,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccsc4)c3)cc21,0.0
[H]/N=C1/C[C@H]2Oc3cc(O)ccc3C[C@H]2C(N)=C1C#N,0.0
O=C1NCCc2[nH]c(-c3ccnc(Cl)c3)cc21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccc5ccccc5c4)c3)cc21,0.0
COc1ccc2sc3c(c2c1)NC[C@@H](CO)NC3=O,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccncc4)cc3c21,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccnc4)cc3c21,0.0
COc1ccc2sc3c(c2c1)NC[C@@H](C[NH3+])NC3=O,0.0
O=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CCCNC3=O,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cnccn4)cc3c21,0.0
O=C1NCCc2[nH]c(-c3ccncc3)cc21,0.0
O=C1N=C([CH-]c2ccccc2)N=C2N=C([C-]3C=CNC(/C=C/c4ccccc4)=C3)C=C12,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cc5ccccc5s4)c3)cc21,0.0
O=C([O-])c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5ccccc5)ccc4c23)C(=O)N1,0.0
CC1(C)CNC(=O)c2cc3ccc(C(=O)Nc4nc(C(=O)NC5CCCCC5)cs4)cc3n21,0.0
COc1cccc(COc2ccc3sc4c(c3c2)NC[C@@H](C)NC4=O)c1,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5ccncc5)ccc4c23)C(=O)N1,0.0
[NH3+]C[C@H]1Cc2c([nH]c3ccc(C(=O)Nc4cccnc4)cc23)C(=O)N1,0.0
[NH3+]C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n2C1,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c21,0.0
Nc1nccc(Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)n1,0.0
O=C(Nc1cc(-c2cc3c(=O)[nH]cnc3[nH]2)ccn1)c1ccc(C2CCCC2)cc1,0.0
COc1ccc2sc3c(c2c1)NC[C@@H](C[NH2+]Cc1ccccc1)NC3=O,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)N[C@H]5CC[N@H+](C)CC5)cs4)cc3c21,0.0
[NH3+]C[C@@H]1Cn2c(cc3ccc(C(=O)Nc4cccnc4)cc32)C(=O)N1,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)NCC[NH3+])cs4)cc3c21,0.0
O=C1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
Oc1ccc(Cc2nnc3ncc(-c4ccccc4)cn23)cc1,0.0
Oc1ccc(Cc2nnc3ncc(-c4ccccc4)nn23)cc1,0.0
Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O,0.0
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,0.0
Cc1cc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)sn1,0.0
Oc1ccc(Cc2nnc3ccc(-c4ccsc4)nn23)cc1,0.0
Cc1csc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)c1,0.0
Nc1cnc2ccn(S(=O)(=O)c3cccc4nonc34)c2c1,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]c(-c4cccnc4)cc23)c(F)c1,0.0
O=[N+]([O-])c1ccccc1S(=O)(=O)n1ccc2ncccc21,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2cccnc2)c1=O,0.0
c1ccc(Cn2ccc3ncccc32)cc1,0.0
COc1ccc2c(OCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(Cc2ccc(F)cc2)c1=O,0.0
COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1,0.0
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)NC(=O)Cc5ccccc5)cc4F)c3s2)c1,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(CO)c23)c(F)c1,0.0
COc1cc2[nH+]ccc(Oc3ccc4cc(NC(=O)Cc5ccccc5)ccc4c3)c2cc1OC,0.0
COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)c4ccccc4)nc3)c2cc1OC,0.0
Cc1c(OCCN2CC[NH+](C)CC2)cn2ncnc(Oc3ccc(NC(=O)c4cccnc4)cc3F)c12,0.0
O=C(Nc1ccc(F)cn1)c1cccnc1Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
C[C@@H](Oc1ccc2ncc(/C=C/C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl,0.0
Cc1c(OCCC[NH+](C)C)cn2ncnc(Oc3ccc(NC(=O)NC(=O)Cc4ccc(F)cc4)cc3F)c12,0.0
COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccccc4)nc3)c2cc1OC,0.0
COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1,0.0
COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)C[NH+]4CCCC4)nc3)c2cc1OC,0.0
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=O)[C@@H]5CCN(c6ccccc6)C5=O)cc4F)c3s2)c1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccc(-c2ccccc2)n1,0.0
C#Cc1c(Oc2ccc(NC(=O)NC(=O)Cc3ccc(F)cc3)cc2F)ccnc1N,0.0
COc1cc2nccc(Oc3ccc(NC(=O)C4(C(=O)Nc5ccc(F)cc5)CC4)cc3F)c2cc1OC,0.0
Cn1cnc(-c2cc3nccc(Oc4ccc(NC(=S)NC(=O)Cc5ccccc5)cc4F)c3s2)c1,0.0
CC(C)CCn1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O,0.0
C[C@H](Oc1cc(-c2cnn(C3CC[NH2+]CC3)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3n2)CC1,0.0
O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3cc(-c4ccccn4)sc23)c(F)c1,0.0
O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3cc(-c4ccoc4)sc23)c(F)c1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccc(-c2ccccc2)[n+]1[O-],0.0
O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCOCC1,0.0
Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccnc4)cc3c21,0.0
O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCCC1,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0.0
[H]/N=C1/N=C([O-])/C(=C2\CCNC(=O)c3[nH]ccc32)N1,0.0
Cc1c(Cc2ccc(F)cc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12,0.0
COc1ccc(CNC(=O)c2cc(-c3[nH]ncc3-c3cccc(Cl)c3)c[nH]2)cc1,0.0
Cc1cnc(Nc2cccc3c2CCC3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
CCN(C)C(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(NCCc1cccnc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(N[C@H](CO)c1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
C[C@@H](NC(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)c1ccccc1,0.0
Cc1cnc(Nc2cccc3c2OCO3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
NC(=O)[C@@H](NC(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)c1ccccc1,0.0
O=C(N[C@H](CO)c1cccc(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(N[C@@H](CO)c1ccccc1F)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(N[C@H](CO)c1ccc(F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@@H](CO)c2ccccc2)c1,0.0
O=C(N[C@H](CO)c1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(NCc1cccnc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
Cc1cnc(Nc2ccc(F)cc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
O=C(NOCc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
CC(=O)N1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1,0.0
Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(Nc4ccccc4)ncc3C)c[nH]2)c1,0.0
Cc1cnc(Nc2cccc3c2OC(F)(F)O3)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(F)c2)c1,0.0
CN(Cc1ccccc1)C(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1cnc(Nc2cccc(C)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
[H]/N=C1/N=C([O-])/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)N1,0.0
O=C(NCc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1cnc(Nc2ccc(Cl)cc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,0.0
O=C1CCNC(=O)c2[nH]c(Br)cc21,0.0
O=C1c2ccccc2C2=NNC3=CC=C[C@@H]1[C@H]32,0.0
O[C@H]1CC[C@H](c2n[nH]cc2-c2ccnc(NC3CCCC3)n2)CC1,0.0
NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F,0.0
O=C(NCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1,0.0
CNC(=O)C[N@@H+]1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1,0.0
CC1CCN(C(=O)N2CCC(Nc3ncc(Cl)c(-c4c[nH]c5ccccc45)n3)CC2)CC1,0.0
c1cncc(-c2ncn(-c3ccc(Nc4nccc(-c5cccc(N6CCOCC6)c5)n4)cc3)n2)c1,0.0
NC(=O)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(Cl)n1,0.0
CS(=O)(=O)[N-]c1ccc(-c2cnc3cccc(Nc4ncccn4)c3c2)cc1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCn2ccc3ccccc32)n1,0.0
CC(=O)N1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)CC1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCn2cccn2)n1,0.0
Cc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCN2CCOCC2)n1,0.0
CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,0.0
N#C[C@H](c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1,0.0
CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccncc1,0.0
Cn1c[nH+]c(CCNc2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)c1,0.0
N#C[C@H](c1ccnc(NCCc2c[nH]c[nH+]2)n1)c1nc2ccccc2s1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCn2cc[nH+]c2)n1,0.0
O=C1/C(=N\O)c2ccc(-c3ccccc3)cc2N1Cc1cc(F)cc2c1OCOC2,0.0
CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,0.0
O=C(NCc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
CNC(=O)C[N@H+]1CC[C@H](Nc2nccc(-c3cnc4ccccn34)n2)CC1,0.0
CCNC(=O)N1CC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1,0.0
C[NH+]1CCN(CCCNc2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)CC1,0.0
C[S@](=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0.0
Fc1ccc(Sc2ccc3nnc(-c4ccc(F)cc4F)n3c2)c(F)c1,0.0
CC(C)c1nnc2ccc(-c3c[nH]nc3-c3cc(F)ccc3F)cn12,0.0
Nc1c(C(=O)c2ccc(F)cc2F)cc[n+]([O-])c1-c1cccc2c1OCO2,0.0
CC(C)c1nnc2ccc(-c3[nH]cnc3-c3cc(F)ccc3F)cn12,0.0
FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccnc3ccccc23)c1,0.0
CC1(c2nnc3ccc(-c4ocnc4-c4ccc(F)cc4F)cn23)CC1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2[nH]ncc2c1,0.0
Fc1ccc(-c2ncn(CCCOc3ccccc3)c2-c2ccncc2)cc1,0.0
CC(C)C1=NN[C@H]2C=CC(Cc3ccc(F)cc3F)=CN12,0.0
CCOC(=O)c1cn2ncnc(Nc3cc(C(=O)NOC)ccc3C)c2c1C,0.0
CC(C)n1nnc2ccc(-c3ocnc3-c3ccc(F)cc3)cc21,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CCC2)s1,0.0
Cc1ccc(NC(=O)c2ccccc2)cc1-c1ccc(C(=O)NCC2CC2)cc1,0.0
O=C1/C(=N\O)c2c(CCc3ccccc3)cccc2N1Cc1cc(F)cc2c1OCOC2,0.0
O=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(N[C@H]3CC[C@H](O)CC3)c2)[nH]1,0.0
NC(=O)c1ccc(N(C(N)=O)c2c(F)cccc2F)nc1-c1ccc(F)cc1F,0.0
Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1,0.0
O=C(NCCCn1cnc(-c2ccc(F)cc2)c1-c1ccncc1)c1ccccc1,0.0
Fc1ccc(-c2ncn(CCC[NH2+]Cc3ccccc3)c2-c2ccncc2)cc1,0.0
Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Oc3ccc4c(c3)OCO4)n2)cc1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N)[nH]c(=O)c2c1,0.0
CC(C)(C)c1nnc2ccc(Sc3ccc(F)cc3F)cn12,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CC2)s1,0.0
CC1(c2nnc3ccc(-c4ocnc4-c4ccc(F)cc4F)cn23)CCC1,0.0
O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,0.0
Fc1ccc(-c2ncn(C3CC[NH2+]CC3)c2-c2ccnc(Nc3ccccc3)n2)cc1,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccc2)s1,0.0
Cc1ccc(NC(=O)c2cccc(N3CCOCC3)c2)cc1NC(=O)c1ccc(OCc2cccnc2)cc1,0.0
CCN(C(=O)c1cccc(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1,0.0
NC(=O)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
CC(C)(C)c1nnc2ccc(-c3ocnc3-c3ccc(F)cc3F)cn12,0.0
CCNC(=O)c1cn2ncnc(Nc3cc(NC(=O)c4ccnc(N5CCOCC5)c4)ccc3C)c2c1C,0.0
CC1(c2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)NC1=O,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCC1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1,0.0
O=C(NO)[C@H]1CN(Cc2cccc(Oc3ccc(F)cc3)c2)C(=O)N1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCC1,0.0
C[C@](N)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO,0.0
CCOCC[C@@]1(Oc2ccc(Oc3ccc(F)cc3)cc2)C(=O)NC(=O)N=C1[O-],0.0
COc1ccc(S(=O)(=O)N(C)c2c(Cn3ccnc3)cccc2C(=O)NO)cc1,0.0
CCOCCC1(Nc2ccc(Oc3ccc(F)cc3)nc2)C(=O)NC(=O)NC1=O,0.0
COc1ccc(S(=O)(=O)[C@@](C)(Cc2ccc3ccccc3c2)C(=O)NO)cc1,0.0
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3cnccn3)cc2)[C@H]1C(=O)NO,0.0
O=C(NO)[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1,0.0
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccccc3F)cc2)[C@H]1C(=O)NO,0.0
CCCC[C@H](CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCCC1,0.0
COc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NO)cc1,0.0
O=C1N[C@@H](C(=O)NO)C[C@H]1c1ccc(-c2ccc(F)cc2)cc1,0.0
O=C(NO)[C@@H](CCN1C(=O)c2ccccc2C1=O)COc1ccc(-c2ccccc2)cc1,0.0
COc1ccc(S(=O)(=O)[C@@](C)(CC2CCCCC2)C(=O)NO)cc1,0.0
COc1ccc(S(=O)(=O)NC2(C(=O)NO)CCCCC2)cc1,0.0
O=C(NO)[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2)C(=O)N1,0.0
COc1ccc(S(=O)(=O)c2ccccc2CC(=O)NO)cc1,0.0
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccnc(Cl)c3)cc2)[C@H]1C(=O)NO,0.0
O=C(NO)[C@@]1(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOC1,0.0
C[C@@](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(NCc1ccc2c(c1)OCO2)C(=O)NO,0.0
CC#CCOc1ccc(S(=O)(=O)N(C)c2c(C(=O)N[O-])cnc3onc(C)c23)cc1,0.0
COc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3CC(=O)NO)cc2)cc1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Sc3ccc(F)cc3)cc2)CCOCC1,0.0
COc1ccc(S(=O)(=O)[C@@](C)(Cc2ccc(-c3ccccc3)cc2)C(=O)NO)cc1,0.0
COc1ccc(S(=O)(=O)N(C)c2c(CN3CCOCC3)cccc2C(=O)NO)cc1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCOCC1,0.0
C=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,0.0
CC#CCOc1ccc(S(=O)(=O)[C@@H](C(=O)NO)c2ccccc2)cc1,0.0
COc1ccc(S(=O)(=O)NC2(C(=O)NO)CCCC2)cc1,0.0
O=C(NO)[C@@H](CCn1ncc2ccccc2c1=O)COc1ccc(-c2ccccc2)cc1,0.0
Cc1ccc(Oc2ccc(S(=O)(=O)[C@@H]3CCOC[C@]3(O)C(=O)NO)cc2)cc1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3cccnc3)cc2)CCOCC1,0.0
Cc1ncccc1COc1ccc(S(=O)(=O)N2CCC[C@@](C)(O)[C@@H]2C(=O)NO)cc1,0.0
COc1ccc(S(=O)(=O)N2CCCCC[C@@H]2C(=O)NO)cc1,0.0
COc1ccc(S(=O)(=O)[C@@](C)(C/C=C/c2ccccc2)C(=O)NO)cc1,0.0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)C3CC3)ccc12,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1ccccc1Oc1ccccc1,0.0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)c(Cl)cc12,0.0
[H]/N=C1/N=C([O-])/C(=C2/CCNC(=O)c3[nH]c(Br)cc32)N1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccoc2)c1,0.0
C[C@@H](O)c1cccc(/C(C#N)=C(\N)Sc2ccccc2N)c1,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(C(=O)c3ccccc3)cc2)s[nH]c1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc(Oc2ccccc2)c1,0.0
O=C(NOCCO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(S(=O)(=O)c3ccccc3)cc2)s[nH]c1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2cccnc2)c1,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2cccc(Cl)c2Cl)s[nH]c1=O,0.0
COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(Cc3ccccc3)cc2)s[nH]c1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccccn2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)C2CCCCC2)c1,0.0
O=C(NOCC1CC1)c1ccc(F)c(F)c1Nc1ccc(I)cc1Cl,0.0
Cn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccco2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccncc2)c1,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(Sc3ccccc3)cc2)s[nH]c1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2cccs2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc(C(=O)c2ccccc2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)Cc2ccccc2)c1,0.0
CC(=O)n1cc(Nc2ccc(I)cc2F)c(C(=O)NOCCO)c1,0.0
N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(/N)Sc1ccccc1N,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccsc2)c1,0.0
CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,0.0
[H]/N=C1/N=C([O-])/C(=C2\CCNC(=O)c3[nH]c(Br)cc32)N1,0.0
COc1cc2c(Nc3ccc(Cc4ccco4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1,0.0
O=C1CCNC(=O)c2[nH]c(Br)cc21,0.0
COc1cc2ncc(C#N)c(Nc3ccc(SC)cc3)c2cc1OC,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc(C#N)cc2)c1,0.0
COc1cc2c(Nc3ccc(SC4CCCCC4)cc3)c(C#N)cnc2cc1OCCCN1CCOCC1,0.0
CC(=O)c1cc(C(=O)NOC[C@@H](O)CO)c(Nc2ccc(I)cc2F)n1C,0.0
N/C(=[NH+]\C[C@@H]1CCCO1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
N#Cc1cnc2cnc(NCCN3CCOCC3)cc2c1Nc1ccc(Oc2ccccc2)cc1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1ccc(Oc2ccccc2)cc1,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3ccccc23)[nH+]1,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3c2CCC3)[nH+]1,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCC2,0.0
C[N@@H+]1CCC[C@@H]1COc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCCC2,0.0
C[N@@H+]1CC[C@@H](Oc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)C1,0.0
C[NH+](C)[C@@H]1CCCC[C@@H]1Oc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1[C@@H]1CC[C@H]2C1,0.0
[NH2+]=C1Nc2ccccc2[C@H]2CCC[C@@]12F,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3c2CCCC3)[nH+]1,0.0
[NH2+]=C1Nc2cc(CCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
Cc1cc(N)[nH+]c(C[C@@H]2C[NH2+]C[C@@H]2OCC[NH2+]CCOc2cccc(F)c2)c1,0.0
[NH2+]=C1Nc2cc(C[NH2+]Cc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
Cc1cc(N)[nH+]c(C[C@H]2C[NH2+]C[C@H]2NCCOCCc2cccc(F)c2)c1,0.0
CCSC(=[NH2+])Nc1ccc(Oc2ccccc2)cc1,0.0
N#Cc1ccc(Cl)cc1CN(CC1CC1)C1CC[NH2+]CC1,0.0
NC(=O)[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCN/C(N)=N\[N+](=O)[O-])C[N@H+]1Cc1ccccc1,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)CC1,0.0
Cc1cc(N)[nH+]c(C[C@H]2C[NH2+]C[C@H]2NCC[NH2+]Cc2ccc(Cl)cc2)c1,0.0
Nc1cccc(-c2ccc(OC[C@@H]3C[C@H]4CC[N@@H+]3CC4)c3ccccc23)[nH+]1,0.0
N/C(=N\c1ccc2sc(N)nc2c1)c1cccs1,0.0
NC1=[NH+][C@H](c2ccco2)Cc2ccccc21,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3c2CCC3)CC1,0.0
Cc1noc(C)c1C(=O)N(Cc1cc(=O)[nH]c2c(F)c(F)ccc12)c1cccc(Cl)c1,0.0
CN(Cc1cc(Cl)ccc1C#N)[C@@H]1CCC[NH2+]C1,0.0
NC1=[NH+][C@H](c2ccccc2)Cc2sccc21,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3c2CCCC3)CC1,0.0
Nc1cccc(C[C@H]2C[NH2+]C[C@H]2NCC[NH3+])[nH+]1,0.0
N/C(=N\c1ccc2nc(NCCc3ccccn3)sc2c1)c1cccs1,0.0
CN(Cc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+](CC2CC2)CC1,0.0
CN(Cc1cc(Cl)ccc1[N+](=O)[O-])[C@H]1CC[N@H+](C)CC1,0.0
CCCN(CCc1cccc(O)c1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N)[C@H]1NC(C)=O,0.0
CCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC[C@@H](CC1CCCCC1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC(=O)N[C@H](C(=O)N[C@H](C)CCc1ccccc1)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CC(=O)N[C@H]1[C@H]([N@H+](C)CCc2ccccc2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCCCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CC[C@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1Oc1ccccc1,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OCc1ccccc1,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H](N)[C@H]1NC(=O)C(F)(F)F,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CC[C@@H](CCc1ccccc1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC(=O)N[C@H]1[C@H]([N@H+](C)C2CCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CCN(CC)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N)[C@H]1NC(C)=O,0.0
CC(=O)N[C@@H](C(=O)N1CCC1)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(=O)C1CC1,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OCCCc1ccc(-c2ccccc2)cc1,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OC1CCCC1,0.0
CCCCc1nnc([C@@H]2OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]2NC(C)=O)n1CCC,0.0
CC[C@@H](CCC1CCCCC1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
C=CC[C@@H](CC)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC(=O)N[C@@H]1[C@@H](N)CC(C(=O)[O-])=C[C@H]1[N@H+]1CC[C@H](C)CC1,0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])C=C(C(=O)[O-])O[C@H]1C(=O)N1CCC[C@H]1C,0.0
CCC[C@@H]1CCCCN1C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CCCN(CCCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCC1(CC)C[NH+]([C@@H]2C=C(C(=O)[O-])C[C@H](N)[C@H]2NC(C)=O)C1,0.0
CCCCCCC[C@H](CC)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC(=O)N[C@H](C(=O)N1CCCC[C@H]1C)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CC[C@@H]1CCCCN1C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(O)O)=C[C@H]([NH+]=C(N)N)[C@H]1NC(C)=O,0.0
CC(=O)N[C@H]1[C@@H]([C@@H](O)[C@@H](O)CO)OC(C(=O)[O-])=C[C@@H]1NC(N)=[NH2+],0.0
C=CC[C@H](CC)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCC[C@H]1CC[N@H+]([C@@H]2C=C(C(=O)[O-])C[C@H](N)[C@H]2NC(C)=O)CC1,0.0
CCOC(=O)C1=C[C@@H](OC(CC)CC)[C@H](NC(C)=O)[C@@H]([NH3+])C1,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CC(=O)N[C@H]1[C@@H](C(=O)N2[C@H](C)CC[C@H]2C)OC(C(=O)[O-])=C[C@@H]1[NH3+],0.0
CC[C@H]1CC[N@H+]([C@@H]2C=C(C(=O)[O-])C[C@H](N)[C@H]2NC(C)=O)CC1,0.0
CC[C@@H]1CC[C@H](CC)N1C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](c3ccccc3)C2)[nH]1,0.0
CCc1c(C(=O)C(N)=O)c2c(O[C@H](C)C(=O)[O-])cccc2n1Cc1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(O[C@H](C)C(=O)[O-])cccc2n1Cc1ccccc1,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C(=O)Oc3ccccc3)C2)[nH]1,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C1CC1)n2Cc1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1cccc2ccccc12,0.0
O=C([O-])C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C(=O)OC)C2)[nH]1,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(O)cc12,0.0
COc1ccc2c(c1)c(CC(N)=O)c(C1CC1)n2Cc1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3c(c2n1Cc1ccccc1F)CCC3,0.0
Cc1c(CC(N)=O)c2cc(OCCCC(=O)[O-])ccc2n1CC1CCCCC1,0.0
Cc1ccccc1Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc21,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3c(c2n1Cc1ccccc1)CCC3,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](CO)C2)[nH]1,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCC(=O)[O-])cc12,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C(=O)OCC)C2)[nH]1,0.0
O=C([O-])CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1Cl,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3c(c2n1Cc1cccc(F)c1)CCC3,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCC[P@@](=O)([O-])O)cc12,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1cccc(Cl)c1,0.0
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1F)CCC2,0.0
NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2)c2cccc(OCC(=O)[O-])c12,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3c(c2n1Cc1ccc(F)cc1)CCC3,0.0
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1)CCC2,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1C(=O)c1ccccc1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C#N)C2)[nH]1,0.0
Cc1c(CC(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1-c1ccccc1,0.0
CCc1c(CC(N)=O)c2cc(OCc3ccccc3C(=O)[O-])ccc2n1Cc1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1c(Cl)cccc1Cl,0.0
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccc(F)cc1)CCC2,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3ccccc3c2n1CC1CCCCC1,0.0
CCc1c(C(=O)C(N)=O)c2c(CC(=O)[O-])cc(C)cc2n1Cc1ccccc1,0.0
CCCCCCCCn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc21,0.0
Cc1c(CC(N)=O)c2cc(OCc3ccccc3C(=O)[O-])ccc2n1Cc1ccccc1,0.0
COC(=O)COc1cc2ccccc2c2c1c(C(=O)C(N)=O)c(C)n2CC1CCCCC1,0.0
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1ccccc1)CCCC2,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cc3c(c2n1Cc1ccccc1)CCC3,0.0
CCc1c(C(=O)C(N)=O)c2c(OC)cccn2c1Cc1ccccc1-c1ccccc1,0.0
O=C1NCCc2c(-c3cccc4ccccc34)[nH]c3cccc1c23,0.0
O=C1NCCn2c(-c3cccc4ccccc34)nc3cccc1c32,0.0
NC(=O)c1cccc2[nH]c(C3([NH3+])Cc4ccccc4C3)nc12,0.0
O=C1NCCc2c(-c3ccc(F)cc3)[nH]c3cccc1c23,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)Oc1ccccc1,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)c1ccccc1,0.0
NC(=O)c1cccc2[nH]c([C@]3([NH3+])CCc4ccccc4C3)nc12,0.0
O=C(C[NH+]1CCCCC1)N1CCc2c([nH]c(=O)c3ccccc23)C1,0.0
O=c1[nH]c2cc(CN3CCOCC3)ccc2c2ccccc12,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)C1CCCC1,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)Cc1ccccn1,0.0
O=C1NCCc2c1ccc1[nH]cc(CC[NH2+]Cc3ccccc3)c21,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)Cc1ccncc1,0.0
O=C1NCCn2c(-c3ccccc3)nc3cccc1c32,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)Cc1cccnc1,0.0
[S-]C1=[NH+]CCc2c(-c3ccccc3)[nH]c3cccc1c23,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)[C@@H]1CC[NH2+]C1,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)OCc1ccccc1,0.0
O=C1[C@H]2C[C@H]2C(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F,0.0
O=C1NCCn2cc([C@H](O)c3ccccc3)c3cccc1c32,0.0
O=C1NCCc2c1ccc1[nH]cc(CC[NH2+]C3CCCCC3)c21,0.0
Cc1ccn2c(c1)nc1c3ccccc3c(=O)[nH]c12,0.0
O=C1NCCn2c(-c3ccccn3)cc3cccc1c32,0.0
O=C1NCCn2c(CCc3ccccc3)nc3cccc1c32,0.0
O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F,0.0
NC(=O)c1cccc2cn(-c3ccc4c(c3)CNCC4)nc12,0.0
O=C1NCCn2c(CCc3ccccc3)cc3cccc1c32,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(C(F)(F)F)cc3)nc12,0.0
O=C1CCCN1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1,0.0
NC(=O)c1cccc2[nH]c(-c3ccc4c(c3)OCO4)nc12,0.0
O=C1NCCc2c(-c3cccnc3)[nH]c3cccc1c23,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2Cc1ccccc1,0.0
O=C(Nc1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)C(F)(F)F,0.0
C[N+]1([O-])CCN(c2ccc3[nH]c(=O)c4ccccc4c3n2)CC1,0.0
O=C(c1ccccc1)c1cn2c3c(cccc13)C(=O)NCC2,0.0
O=c1[nH]c2cc(C[NH+]3CCCCC3)ccc2n2cccc12,0.0
CN1C(=O)c2c(n[nH]c2Cc2ccccc2)N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
CCOc1ccccc1-c1nc2c(nc3cccc(C)n32)c(=O)[nH]1,0.0
CCCOc1ccccc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1,0.0
O=C(Cc1csc(NC(=O)c2ccc3ccccc3n2)n1)NO,0.0
CCOc1ccccc1-c1nc2c(ncn2C2CCCC2)c(=O)[nH]1,0.0
CCOc1ccccc1-c1nn2c(C3CCCC3)nc(C)c2c(=O)[nH]1,0.0
CN1C(=O)c2c(nn(C)c2Cc2ccccc2)N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
CCCCCCc1nc2c([nH]1)C(=O)N(C)C1=[NH+][C@H](C(C)C)CN12,0.0
CCOc1ccccc1-c1nn2c(C)nc(C)c2c(=O)[nH]1,0.0
CN1C(=O)c2nc(CC3CC3)[nH]c2N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
c1ccc(CNc2nc(-c3ccncc3)nc3ccccc23)cc1,0.0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCCCCCCCCCC(=O)NO)n1,0.0
CCN1C(=O)c2nc(Cc3ccccc3)[nH]c2N2C[C@@H](C(C)C)[NH+]=C12,0.0
Clc1ccc2nc(-c3cccnc3)nc(NCc3ccco3)c2c1,0.0
CCCc1nc(C)n2c([O-])nc(-c3ccccc3OCC)nc12,0.0
CCOc1ccccc1-c1nc2c(ncn2C2CC2)c(=O)[nH]1,0.0
CCOc1ccccc1-c1nc2c(ncn2C2CCC2)c(=O)[nH]1,0.0
c1ccc2c(NCC3CCCCC3)nc(-n3ccnc3)nc2c1,0.0
CN1C(=O)c2c(nn(C)c2Cc2ccccc2)N2CC3(CCCC3)[NH+]=C12,0.0
c1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1,0.0
c1ccc(CCNc2nc(-n3ccnc3)nc3ccccc23)cc1,0.0
CCCOc1ccccc1-c1nc([O-])c2c(C)noc2n1,0.0
CCCOc1ccccc1-c1nc2scc(C)c2c(=O)[nH]1,0.0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCNc4cccc5ccccc45)ccc3OCC)nc12,0.0
CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12,0.0
CCCCCCc1nc2c([nH]1)C(=O)N(C)C1=[NH+][C@@H]3CCC[C@@H]3N12,0.0
CCCOc1ccccc1-c1nc2[nH]ncc2c(=O)[nH]1,0.0
CCCOc1ccccc1-c1nc2nsc(C)c2c(=O)[nH]1,0.0
CN1C(=O)c2nc(Cc3ccc(-c4ccccc4)cc3)[nH]c2N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
CCCOc1ccccc1-c1nc([O-])c2n[nH]nc2n1,0.0
CCCOc1ccccc1-c1nc2cnccc2c(=O)[nH]1,0.0
CCCOc1ccccc1-c1nc2[nH]cnc2c(=O)[nH]1,0.0
c1csc(CNc2nc(-n3ccnc3)nc3ccccc23)c1,0.0
CCCOc1ccccc1-c1nc2ccncc2c(=O)[nH]1,0.0
c1ccc(CNc2nc(-c3cccs3)nc3ccccc23)cc1,0.0
CN1C(=O)c2nc(Cc3ccccc3)[nH]c2N2CC3(CCCC3)[NH+]=C12,0.0
CCOc1ccccc1-c1nc([O-])c2nnc(C3CCCC3)n2n1,0.0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)Nc2nc(CC(=O)NO)cs2)n1,0.0
CCCc1nn(C)c2c(=O)[nH]c(-c3ccccc3OCC)nc12,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCC3)cc1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCCC3)cc1,0.0
Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1,0.0
CN(O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])o2)c1,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])[nH]2)c1,0.0
Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc2ccc([N+](=O)[O-])cc2)c1Cl,0.0
FC(F)(F)c1cccc(Nc2ncccc2-c2nnc([S-])o2)c1,0.0
Cc1ccc2c(n1)Oc1ccc([C@H](C)C(=O)[O-])cc1C2,0.0
Cc1ccccc1N1C(=O)c2ccccc2C1=O,0.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccc3[nH]ccc3c2)cc1,0.0
Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1,0.0
O=S(=O)([N-]c1ccncc1NC1CCCCCC1)C(F)(F)F,0.0
O=C1Cc2cc(Cl)c(-c3ccccc3)cc2O1,0.0
COc1ccc(Nc2cnccc2[N-]S(=O)(=O)C(F)(F)F)cc1,0.0
Nc1c(CC(=O)[O-])cccc1C(=O)C1CCCCC1,0.0
C[C@H](C(=O)[O-])c1ccc(C[C@H]2CCC[C@@H]2O)cc1,0.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2CC[C@H]3C2)cc1,0.0
Cn1c2c(c3cc(O)ccc31)CCCCC2,0.0
O=S(=O)([N-]c1ccncc1NC1CCCCC1)C(F)(F)F,0.0
NC1=NN(c2cccc(C(F)(F)F)c2)CC1,0.0
CCCCNc1nc(-c2ccc(S(N)(=O)=O)cc2)cc(C(F)(F)F)n1,0.0
Cc1cc(CCc2cccs2)cc(C)c1O,0.0
O=S(=O)([N-]c1ccncc1Oc1ccccc1)C(F)(F)F,0.0
c1ccc(-c2[nH]c(-c3ccccc3)c3c2CCC3)cc1,0.0
CCN(O)CCc1ccc2c(c1)[C@@H](O)c1ccccc1CO2,0.0
O=c1c2ccccc2nc2n1CCc1c-2[nH]c2ccccc12,0.0
c1ccc(-c2[nH]c(-c3ccccc3)c3c2CCCC3)cc1,0.0
C1=CCc2c(-c3ccccc3)[nH]c(-c3ccccc3)c2C1,0.0
Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Oc1ccc(F)cc1,0.0
CN(O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2,0.0
Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl,0.0
C[C@@H](C(=O)[O-])c1ccc2c(c1)Oc1ccccc1CO2,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])o2)c1,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])[nH]2)c1,0.0
Cc1cc(CCc2ccc(F)cc2)cc(C)c1O,0.0
CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O,0.0
FC(F)(F)c1cccc(Nc2ncccc2-c2nnc([S-])o2)c1,0.0
O=C1N=C([O-])CCN1N1C(=O)c2ccccc2C1=O,0.0
Cc1ccccc1N1C(=O)c2ccccc2C1=O,0.0
C[C@@H]1C[C@@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,0.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccc3[nH]ccc3c2)cc1,0.0
Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1C(=O)c1ccc(F)cc1,0.0
O=C([O-])Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1,0.0
Cn1c([O-])c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O,0.0
O=C1Cc2cc(Cl)c(-c3ccccc3)cc2O1,0.0
C=C1CC(c2ccc(S(C)(=O)=O)cc2)=C1c1ccccc1,0.0
C[C@@H](C(=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12,0.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1,0.0
CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[O-])OCC3,0.0
O=C1OCC(c2ccc(-c3nnn[n-]3)cc2)=C1c1ccccc1,0.0
Nc1c(CC(=O)[O-])cccc1C(=O)C1CCCCC1,0.0
O=S(=O)([N-]c1ccncc1Sc1ccccc1)C(F)(F)F,0.0
C[C@@]1(N2C(=O)c3ccc(N)cc3C2=O)CCC(=O)NC1=O,0.0
Cc1cc(/C=C/c2cccc3ccccc23)cc(C)c1O,0.0
O=C1Cc2cc(Br)c(C3CCCCC3)cc2O1,0.0
C[C@H](C(=O)[O-])c1ccc(C[C@H]2CCC[C@@H]2O)cc1,0.0
Cc1cnc(NC(=O)C2=C([O-])c3ccccc3S(=O)(=O)N2C)s1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2C=C[C@H]3C2)cc1,0.0
Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Cc1ccccc1Cl,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2CC[C@H]3C2)cc1,0.0
CS(=O)(=O)[N-]c1cc2c(cc1Oc1ccc(F)cc1F)C(=O)CC2,0.0
Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1,0.0
Cc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2,0.0
C[C@@H](Nc1cc2c(-c3ccc4c(c3)OCO4)noc2cn1)c1ccccc1,0.0
NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,0.0
Cn1cncc1-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1,0.0
NC(=O)c1sc(-c2cnn3ccccc23)cc1OCc1ccccc1C(F)(F)F,0.0
FC(F)(F)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[n-]2)cc1,0.0
Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N5CC[NH2+]CC5)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
NC(=O)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-],0.0
Cc1cscc1-c1noc2cnc(N[C@H](C)c3ccccc3)cc12,0.0
O=C1NCCc2[nH]c(-c3ccncc3)cc21,0.0
CCCN(CC1CC1)c1nc(N[C@H](C)c2ccccc2)ncc1C#N,0.0
COc1cccc(Nc2nc(N[C@H](C)c3ccccc3)ncc2C#N)c1,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Oc3ccccc3)ncc1CC2,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccc[nH]4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Cc3ccccc3)ncc1CC2,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Nc3ccccc3)ncc1CC2,0.0
CCOC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(C)c2)c(=O)n1CC,0.0
CCCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(O)cc2)c(=O)n1CC,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(CO)cc1Cl,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cccnc4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
CCn1c(=O)/c(=C\Nc2ccccc2)s/c1=C(/C#N)C(=O)N1CCCC1,0.0
COc1ccc2ncn(-c3cc(O[C@@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2c1,0.0
C=CCOC(=O)/C(C#N)=C1\S[C@@H](CNc2ccc(NC(=O)NCC[NH+]3CCCC3)cc2)C(=O)N1CC,0.0
COc1cc2ncn(-c3cc(OCC4CCCC4)c(C(N)=O)s3)c2cc1OC,0.0
COc1cc2ncn(-c3cc(OCc4ccco4)c(C(N)=O)s3)c2cc1OC,0.0
NC(=O)c1nn(C2CCCCC2)c2c1CCc1cnc(Nc3ccccc3)nc1-2,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cn[nH]c4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
CCNC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(C(=O)NCCC[NH+]3CCCC3)c2)c(=O)n1CC,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)sc1C(N)=O)c1ccccc1C(F)(F)F,0.0
COc1cc2ncn(-c3cc(OCCc4ccccc4)c(C(N)=O)s3)c2cc1OC,0.0
CC(=O)N(C)c1cccc(Nc2nc(NCCc3cccs3)ncc2-c2nnn[n-]2)c1,0.0
COc1cc2ncn(-c3cc(OCc4ccncc4)c(C(N)=O)s3)c2cc1OC,0.0
COc1cc2ncn(-c3cc(OCC4CCCCC4)c(C(N)=O)s3)c2cc1OC,0.0
C[C@H](Oc1cc(-n2cnc3ccc(OC[C@H]4CC[N@H+](C)CC4)cc32)sc1C(N)=O)c1ccccc1Cl,0.0
COc1cc2ncn(-c3cc(OCc4ccsc4)c(C(N)=O)s3)c2cc1OC,0.0
C[C@@H](Nc1cc2c(-c3cc(Cl)cc(CCCO)c3)noc2cn1)c1ccccc1,0.0
COc1ccc(Nc2ncc3c(n2)-c2ccc(OC)cc2NC(=O)C3)cc1,0.0
Nc1nc2c(Cc3cccc(Oc4ccccc4)c3)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c12,0.0
Nc1nc(=O)c2[nH]cc([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c2[nH]1,0.0
Nc1nc2c(Cc3ccc(OCc4ccccc4)cc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(C[C@H]3[C@@H]4C[C@H]5C[C@@H](C4)C[C@@H]3C5)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccc(-c4ccccc4)cc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3cccc(O)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)N/C(=[NH+]\Cc1ccccc1)C2,0.0
O=c1[nH]cnc2c1ncn2C[C@@H]1COC[C@@H]1CC(F)(F)P(=O)([O-])[O-],0.0
Nc1nc2c(Cc3cccc(Cl)c3)c[nH]c2c(=O)[nH]1,0.0
O=c1nc[nH]c2c([C@@H]3N[C@H](CO)[C@@H](O)[C@H]3O)c[nH]c12,0.0
Nc1nc2c(CC3CCCCCC3)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c(C[C@@H]3[NH2+][C@H](CO)[C@H](O)[C@@H]3O)c[nH]c12,0.0
Nc1nc2c([C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)c[nH]c2c(=O)[nH]1,0.0
C[C@@H]1CCC[C@@H](Cc2c[nH]c3c(=O)[nH]c(N)nc23)C1,0.0
Nc1nc2c(C[N@@H+]3C[C@H](CO)[C@@H](O)C3)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c([C@@H]3N[C@H](CO)[C@@H](O)[C@@H]3O)n[nH]c12,0.0
Nc1nc2c(Cc3cnccc3Cl)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)N=C(Cc1ccccc1)C2,0.0
Nc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(ncn2CC[C@@H]2C[C@H]2C(F)(F)P(=O)([O-])[O-])c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c(CN(Cc3ccccc3)C[C@H](O)CO)c[nH]c12,0.0
Nc1nc2[nH]c(Cc3ccccc3)nc2c(=O)[nH]1,0.0
O=c1[nH]cnc2c([C@H]3N[C@H](CO)[C@H](O)[C@@H]3O)n[nH]c12,0.0
Nc1nc2c(C3CCCCC3)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c([C@H]3O[C@H](CI)[C@@H](O)[C@H]3O)c[nH]c12,0.0
Nc1nc2c(C3=CCCCC3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(ncn2CCCCC[P@](=O)([O-])C[P@@](=O)([O-])O)c(=O)[nH]1,0.0
Nc1nc2c(Oc3ccccc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(ncn2CCCCCC[P@](=O)([O-])C[P@@](=O)([O-])O)c(=O)[nH]1,0.0
O=c1[nH]cnc2c([C@H]3O[C@H](CCl)[C@@H](O)[C@H]3O)c[nH]c12,0.0
[O-]c1ncnc2c(C[N@@H+]3C[C@H](CO)[C@@H](O)C3)[nH]nc12,0.0
Nc1nc2c(c(=O)[nH]1)N/C(=[NH+]\Cc1ccco1)C2,0.0
COc1ncnc2c([C@@H]3N[C@H](CO)[C@H](O)[C@@H]3O)c[nH]c12,0.0
Nc1nc2c(c(=O)[nH]1)N/C(=[NH+]\Cc1cccs1)C2,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1,0.0
CCCc1cc(-c2noc3ccccc23)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(C(F)(F)F)cc1,0.0
CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1nc(C(F)(F)F)sc1COc1ccc2c(ccn2CC(=O)[O-])c1,0.0
CC[C@H](Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(OCc2ccccc2)cc1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(COc2ccccc2)cc1,0.0
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1,0.0
CCCc1cc(C2CCCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1,0.0
CC[C@H](Cc1ccc(OC)c(C(=O)CCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
Cc1cccc(Nc2cc(Cl)nc(SCC(=O)[O-])n2)c1C,0.0
C/C(=N\OCCCCO/N=C(/CCC(=O)[O-])c1ccccc1)c1cccc(-c2ccccc2)c1,0.0
CCCc1cc(C(=O)c2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
Cc1oc(C(C)(C)C)nc1CCOc1ccc(C[C@H]2CO[C@@](C)(C(=O)[O-])OC2)cc1,0.0
C/C(=N\OCCCCO/N=C(/CCC(=O)[O-])c1ccccc1)c1ccc2ccccc2c1,0.0
C/C(=N\OCCCCO/N=C(/CCC(=O)[O-])c1ccccc1)c1ccc2c(c1)CCCC2,0.0
CCCc1cc(C(=O)C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CC[C@H](Cc1ccc(OC)c(C(=O)NCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1,0.0
CCCc1cc(OC2CCCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)[O-])c(OC)c1,0.0
O=C([O-])[C@@H](Cc1cccc(Oc2ccccc2)c1)Oc1ccc(Cl)cc1,0.0
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)[O-])ccc2c(-c3ccccc3)coc12,0.0
Cc1oc(-c2ccccc2)nc1COc1ccc(CO/N=C(\CCC(=O)[O-])c2ccccc2)cc1,0.0
CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCC5(CC4)CC5)cc3Cl)cc2O1,0.0
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1nc(C(F)(F)F)sc1CSc1ccc2c(ccn2CC(=O)[O-])c1,0.0
CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(C4CCCC4)oc3C)ccc21,0.0
CCCc1cc(OC2CCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCCc1cc(C2CCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)[O-])ccc2c(-c3ccccc3)noc12,0.0
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2cccs2)cc1,0.0
Cc1cc(-c2nc(C(F)(F)F)ns2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(/C=C\c2ccccc2)cc1,0.0
CCCc1ccccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
CCCc1cc(OC2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1ccc(-c2nc(CCCCCO/N=C(/CCC(=O)[O-])c3ccccc3)c(C)o2)cc1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(Cc4ccc(F)cc4)oc3C)ccc21,0.0
O=C([O-])Cn1ccc2ccc(OCCCOc3ccc(C(=O)c4ccc(F)cc4)cc3)cc21,0.0
CCCc1cc(-c2noc3ccccc23)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
O=C([O-])Cc1coc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc12,0.0
CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
O=C([O-])Cn1ccc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc21,0.0
Cc1nc(C(F)(F)F)sc1COc1ccc2c(ccn2CC(=O)[O-])c1,0.0
CC[C@H](Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
CCCc1cc(C2CCCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc4ncoc4c3)ccc21,0.0
CC[C@H](Cc1ccc(OC)c(OCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
CCCc1cc(C(=O)c2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc4cc[nH]c4c3)ccc21,0.0
CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
CCCc1cc(C(=O)C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCCc1cc(OC2CCCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
C=C(CCc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1,0.0
Cc1nc(C(F)(F)F)sc1CSc1ccc2c(ccn2CC(=O)[O-])c1,0.0
CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCCc1cc(OC2CCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCCc1cc(C2CCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
C=C(COc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1,0.0
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)[O-])ccc2c(-c3ccccc3)noc12,0.0
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Nc2ccccc2)cc1OC,0.0
C=C(COc1ccc(C(F)(F)F)cc1)COc1ccc(OCC(=O)[O-])c(C)c1,0.0
Cc1cc(-c2nc(C(F)(F)F)ns2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
CCCc1c(OCCCCOc2cccc(CC(=O)[O-])c2)ccc2c(-c3ccccc3)noc12,0.0
Cc1cc(SCC2(COc3ccc(C(F)(F)F)cc3)CC2)ccc1OCC(=O)[O-],0.0
Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)on2)ccc1OCC(=O)[O-],0.0
Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)no2)ccc1OCC(=O)[O-],0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccccc4)cc3)ccc21,0.0
CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
Cc1coc2cc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])ccc12,0.0
Cc1cc(OCc2cc(-c3ccc(C(F)(F)F)cc3)cc(-c3ccc(C(F)(F)F)cc3)c2)ccc1OCC(=O)[O-],0.0
O=C([O-])[C@]1(C(F)(F)F)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccc5cc[nH]c5c4)cc3)ccc21,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4cccnc4)cc3)ccc21,0.0
Cc1cc(SCC2(COc3ccc(C(F)(F)F)cc3)OCCCO2)ccc1OCC(=O)[O-],0.0
CCCc1cc(C2=N[C@@H]3CCCC[C@@H]3S2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
CCCc1c(OCCCOc2ccc3ccn(CC(=O)[O-])c3c2)ccc2c(C(F)(F)F)noc12,0.0
CCCc1c(OCCCOc2ccc(CCC(=O)[O-])cc2)ccc2c(-c3ccccc3)noc12,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccc(C(F)(F)F)cn4)cc3)ccc21,0.0
O=C([O-])Cc1coc2cc(OCc3ccc(COc4ccc(C(F)(F)F)cc4)cc3)ccc12,0.0
Cc1cc(SCc2csnc2-c2ccc(C(F)(F)F)cc2)ccc1OCC(=O)[O-],0.0
CCO[C@H](Cc1ccc(OCCC2c3ccccc3Oc3ccccc32)cc1)C(=O)[O-],0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1,0.0
CCO[C@H](Cc1ccc(OCCN2c3ccccc3C=Cc3ccccc32)cc1)C(=O)[O-],0.0
CCO[C@H](Cc1ccc(OCCC2c3ccccc3-c3ccccc32)cc1)C(=O)[O-],0.0
CCCc1cc(-c2noc3ccccc23)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCO[C@H](Cc1ccc(OCCN2c3ccccc3CCc3ccccc32)cc1)C(=O)[O-],0.0
O=C([O-])CC1=C/C(=C\c2ccc(F)c3ccccc23)c2ccc(F)cc21,0.0
CCO[C@H](Cc1ccc(OCCCN2c3ccccc3CCc3ccccc32)cc1)C(=O)[O-],0.0
CCCc1cc(C=C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCO[C@@H](Cc1ccc(CC[C@@H](O)c2ccccc2)cc1)C(=O)[O-],0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1,0.0
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1,0.0
CCCc1cc(Oc2ccc(-c3ccccc3)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(COc4ccccc4)oc3C)ccc21,0.0
CCCc1cc(C2CCCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCCOc3cccc4[nH]c5ccccc5c34)cc2)NC(=O)N1,0.0
Cc1ccc(-c2nc(CCCCCCO/N=C(/CCC(=O)[O-])c3ccccc3)c(C)o2)cc1,0.0
O=C([O-])[C@H](Cc1ccc(Oc2ccccc2)cc1)Oc1ccc(Cl)cc1,0.0
CCCc1cc(Oc2ccc(C3CCCC3)cc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
C/C(=N\OCCCCO/N=C(/CCC(=O)[O-])c1ccccc1)c1cccc(-c2ccccc2)c1,0.0
CCCc1cc(C(=O)c2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
C/C(=N\OCCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc(-c2ccccc2)c1,0.0
CCCc1cc(C2CCCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(Cc4ccccc4)oc3C)ccc21,0.0
CCCc1cc(-c2ccccc2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
C/C(=N\OCCCCO/N=C(/CCC(=O)[O-])c1ccccc1)c1ccc2ccccc2c1,0.0
C/C(=N\OCCCCO/N=C(/CCC(=O)[O-])c1ccccc1)c1ccc2c(c1)CCCC2,0.0
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1nc2ccccc2o1,0.0
CCCc1cc(C(=O)C2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2C(=O)[O-])c1,0.0
CCCc1cc(OC2CCCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCCc1cc(Oc2ccccc2)ccc1OCCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)cc1,0.0
CC[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCC5(CC4)CC5)cc3Cl)cc2O1,0.0
CCCc1cc(Oc2ccccc2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCCc1cc(CC2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCOc3cc(C)[nH+]c4ccccc34)cc2)NC(=O)N1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(C4CCCC4)oc3C)ccc21,0.0
CCCc1cc(OC2CCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)[O-])ccc2c(-c3ccccc3)noc12,0.0
Cc1cc(-c2nc(C(F)(F)F)ns2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
CCCc1ccccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
CCCc1cc(OC2CCCCC2)ccc1OCCCOc1cccc([C@H]2SC(=O)NC2=O)c1,0.0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,0.0
CC1=CC(C)(C)Nc2cc3c(c(F)c21)-c1ccc(F)cc1C3,0.0
C[C@@H]1CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(C4CCCCC4)c3c2)c1,0.0
CC1=CC(C)(C)[NH+]=c2cc3c(cc21)=C(C(F)(F)F)C=C(O)O3,0.0
C[C@@H]1CC(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,0.0
CC1=CC(C)(C)Nc2cc3c(cc21)-c1c(F)cccc1C3=O,0.0
CC1=CC(C)(C)Nc2cc3[nH]c4ccccc4c3cc21,0.0
N#Cc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1,0.0
O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CC2,0.0
O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCC2,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(C4CCCC4)c3c2)c1,0.0
CC1=CC(C)(C)Nc2cc3[nH]c(=O)cc(C(F)(F)F)c3cc21,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)N[C@@H]1CCCC[C@H]31,0.0
Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C1(CCCCC1)C(=O)N2,0.0
Cn1c(C#N)ccc1-c1ccc([C@@H](O)c2ccccc2)cc1,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(C4CCC4)c3c2)c1,0.0
CC[C@@H]1C[NH+]=c2cc3c(cc2[C@@H]1CC)=C(C(F)(F)F)C=C(O)O3,0.0
S=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCC2,0.0
CC1(C)OCC(=O)Nc2ccc(-c3cccc(F)c3)cc21,0.0
Cn1c(C#N)ccc1-c1ccc2[nH]c(=O)n(C3CCCC3)c2c1,0.0
C[C@@]1(Cc2ccccc2)C(=O)Nc2ccc(-c3cccc(Cl)c3)cc21,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)[C@@H](C)Oc1ccc(Cl)cc1-3,0.0
Cn1c(C#N)ccc1-c1ccc2[nH]c(=O)n(C3CCC3)c2c1,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)CCC[C@]2(O)c1ccccc1,0.0
O=c1[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc2s1,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)CCC/C2=N/O,0.0
C/C=C1/C(=O)C[C@H]2[C@H]3CCC4=CC(=O)CC[C@]4(C)[C@@H]3CC[C@]12C,0.0
CC1(C)C(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,0.0
Cc1cc(-c2cccc3[nH]ccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
C[C@@H]1CC(C)(C)Nc2cc3c(cc21)c(C(F)(F)F)cc(=O)n3C,0.0
Cn1c(C#N)ccc1-c1ccc(C(=O)c2ccccc2)cc1,0.0
Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C1(CCCC1)C(=O)N2,0.0
Cn1c(C#N)ccc1-c1ccc2[nH]c(=S)n(C3CCC3)c2c1,0.0
CC1(C)C(=S)Nc2ccc(-c3cccc(Cl)c3)cc21,0.0
Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
O=C([O-])c1ccc(COc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)cc1,0.0
COc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)cc2c1,0.0
CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(O)ccc2c1,0.0
NC(=O)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
O=C(c1ccccc1)[C@@H](Cc1ccc(C(F)(F)P(=O)([O-])[O-])c(Br)c1)c1ccccc1,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2ccc3cc[nH]c3c2)c1Br,0.0
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CCN(Cc1cccnc1)C2,0.0
O=C(CCCc1cccs1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
O=C(CCCCc1cccs1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(NC3CCCC3)c2)c1Br,0.0
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[N@@H+](CCc1ccccc1)C2,0.0
O=C(CCCCc1cccs1)Nc1ccc2c(c1)CO[C@@H](C(=O)[O-])C2,0.0
O=C(CCCc1cccs1)Nc1ccc2c(c1)CO[C@@H](C(=O)[O-])C2,0.0
CCCCc1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,0.0
O=C([O-])c1cccc(/C=C/c2ccc3cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc3n2)c1,0.0
COc1cccc(C[N@@H+]2CCc3c(sc(NC(=O)C(=O)[O-])c3C(=O)[O-])C2)c1,0.0
CCCCc1oc2ccccc2c1[C@@H](O)c1ccc(-c2ccc(O)cc2)cc1,0.0
O=C(CCCC[C@@H]1CCSCS1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
CCCCc1oc2ccccc2c1-c1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)[O-])cc2)cc1,0.0
O=C([O-])c1cc(S(=O)(=O)Oc2ccc(-c3ccc(-c4c(Cc5ccccc5)oc5ccccc45)cc3)cc2)ccc1O,0.0
O=C(Nc1cccc(F)c1)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
C[C@@H]1C[NH+]=C([C@H](Cc2ccc([C@@H]3CC([O-])=NS3(=O)=O)cc2)NS(=O)(=O)c2cccc(C(F)(F)F)c2)N1,0.0
CCOC(=O)CCC1=C(n2ccc3ccccc32)c2ccccc2C(=O)C1=O,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(OCc3ccccc3)c2)c1Br,0.0
CCCCc1oc2ccccc2c1Cc1ccc(-c2ccc(OCn3cnnn3)cc2)cc1,0.0
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)C(=O)O[C@@H](C(=O)[O-])C2,0.0
CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)[O-])cc2)cc1,0.0
CCO[C@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(=O)[O-],0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(NCc3ccccc3)c2)c1Br,0.0
CC1(C)SC[C@@H](CCCCC(=O)Nc2ccc3c(c2)C[C@H](C(=O)[O-])OC3)S1,0.0
CC1(C)SC[C@@H](CCC(=O)Nc2ccc3c(c2)C[C@H](C(=O)[O-])OC3)S1,0.0
CC1(C)SC[C@@H](CCCCC(=O)Nc2ccc3c(c2)CO[C@@H](C(=O)[O-])C3)S1,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(NC3CCCCCC3)c2)c1Br,0.0
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc(N)c(CCCNc2cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)c(=O)[nH]1,0.0
C[C@@H](CC1=Nc2c(nc(N)[nH]c2=O)NC1)Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
C[C@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)C[C@@H]1CNc2[nH]c(N)nc(=O)c2N1,0.0
Nc1nc2[nH]c(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc2[nH]c(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1,0.0
Nc1nc2sc(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)C[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2,0.0
Nc1nc2sc(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc(N)c(CCC[C@H](C(=O)C(F)(F)F)c2ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1,0.0
Nc1nc(N)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1,0.0
Nc1nc2sc(CCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc2[nH]c(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc(N)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)c(=O)[nH]1,0.0
Nc1nc(=O)c2c([nH]1)NC[C@H](CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2,0.0
Nc1nc2ncc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc(N)c(CCC[C@H](C=O)c2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CNc1ccc(C(=O)N[C@H](CCS(=O)(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CNc1ccc(C(=O)N[C@H](CC[P@@](=O)([O-])O)C(=O)[O-])cc1)CN2,0.0
Nc1cc2c(c(=O)[nH]1)C[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CCN2,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
C[C@@H]1c2c(nc(N)[nH]c2=O)NC[C@@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
CO[C@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1)CN2,0.0
Cc1cc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2S1,0.0
CCc1cc(CCCSc2c(N)nc(N)[nH]c2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],0.0
Nc1nc2sc(CCCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
CC[C@@H]1c2c(nc(N)[nH]c2=O)NC[C@@H]1CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Cc1cc(CCCSc2c(N)nc(N)[nH]c2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1cccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1)CN2,0.0
Nc1nc(=O)c2c([nH]1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2,0.0
Nc1ncc2c(n1)NC[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)C2,0.0
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1CCCSc1c(N)nc(N)[nH]c1=O,0.0
CS[C@@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc2sc(CCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
Nc1nc(N)c(SCCCc2cccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c2)c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1)CN2,0.0
CS[C@H](CCCc1c(N)nc(N)[nH]c1=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2S1,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCO)c2=O)cc1,0.0
CCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3cc[nH]n3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cccnc21,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3[nH]c2=O)cc1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(C(F)(F)F)ccc3[nH]2)Cc2ccccc21,0.0
O=C(N[C@@H]1Cc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1,0.0
C[NH+](C)CCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21,0.0
OC[C@@H]1O[C@]2(ON=C(c3ccc4ccccc4c3)S2)[C@H](O)[C@H](O)[C@H]1O,0.0
Cn1c(=O)c(Nc2ccc(NC(=O)c3ccno3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(NC(=O)c3ccon3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cc(F)ccc21,0.0
Cc1ccc2nc(Nc3ccc(C(=O)NCc4cccs4)cc3)c(=O)n(C)c2c1,0.0
Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)cc2c1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)Cc2ccccc21,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cccc(Cl)c3[nH]2)Cc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3ccon3)cc2)nc2ccccc21,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CC[NH+]3CCCCC3)c2=O)cc1,0.0
O=C(Nc1c(F)cccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCc3ccccn3)c2=O)cc1,0.0
OC[C@H]1C[NH2+]C[C@@H](O)[C@@H]1O,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3nccs3)cc2)nc2ccccc21,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(C#N)ccc3[nH]2)Cc2ccccc21,0.0
N#Cc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C(C(=O)[O-])=C(C(=O)[O-])N1Cc1ccccc1,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCN3CCOCC3)c2=O)cc1,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1,0.0
COc1ccnc(C(=O)Nc2c(F)cccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
O=C(Nc1c(F)cccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
O=C(NC(=O)c1ccc2ccccc2c1)N[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
COc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
O=C(Nc1cc(F)ccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(I)ccn1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)Cc2ccccc21,0.0
CCN1C(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2)C(C(=O)[O-])=C1C(=O)[O-],0.0
CN1C(=O)[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)Cc2ccccc21,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCc2ccccc21,0.0
CCN1C(C)=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C(C(=O)[O-])=C1C(=O)[O-],0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1ccccn1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3ccc(Cl)cc3[nH]2)Cc2ccccc21,0.0
Cc1c(-c2ccc3ccccc3c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])c1c(O)c(-c2ccc(Cl)cc2)nc2ccc(Br)cc12,0.0
CC(=O)/C(C#N)=C(\[O-])Nc1ccc(-c2ccccc2Cl)c(Cl)c1,0.0
N#C/C(C(=O)C1CCC1)=C(/[O-])Nc1ccc(C(F)(F)F)cc1,0.0
CCc1oncc1C(=S)Nc1ccc(OC(F)(F)F)cc1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(OC(F)(F)F)cc1,0.0
O=C(Nc1cc(Cl)cc(Cl)c1)Nc1ccccc1C(=O)[O-],0.0
Cc1oncc1C(=O)Nc1ccc(C(F)(F)F)cc1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(S(=O)(=O)C(F)(F)F)cc1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(-c2ccccc2)cc1,0.0
Cc1ccccc1-c1ccc2c(c1)CSc1c-2nc2ccc(F)cc2c1C(=O)[O-],0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(Oc2ccccc2)cc1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(SC(F)(F)F)cc1,0.0
C=CCC(=O)/C(C#N)=C(\[O-])Nc1ccc(C(F)(F)F)cc1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(C(F)(F)F)cn1,0.0
Cc1cccc(-c2ccc3c(c2)CSc2c-3nc3ccc(F)cc3c2C(=O)[O-])c1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(CCc2ccccc2)cc1,0.0
CC(=O)/C(C#N)=C(\[O-])Nc1ccc(-c2ccccc2)cc1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(C(=O)c2ccc(Cl)cc2)cc1,0.0
Cc1c(Nc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-c2cccc(Oc3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(Cl)cn1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(Cl)nc1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(Oc2ccc(Cl)cc2)cc1,0.0
Cc1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1cccc(Oc3ccccc3)c1CC2,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(-c2cccs2)cc1,0.0
O=C([O-])C1=C(C(=O)Nc2cc(Br)c(OCc3ccccc3)c(Br)c2)CCC1,0.0
Cc1c(-c2ccc(C3CCCCC3)cc2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1C(=O)[O-],0.0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ncccc2c1C(=O)[O-],0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(/C=C/c2ccc(Cl)cc2)cc1,0.0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cnccc2c1C(=O)[O-],0.0
Cc1c(N(C)c2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-c2ccc(-c3ccccc3)s2)nc2ccc(F)cc2c1C(=O)[O-],0.0
CCCCCCc1ccc(-c2nc3ccc(F)cc3c(C(=O)[O-])c2C)cc1,0.0
O=C([O-])C1=C(C(=O)Nc2cc(Br)c(OCc3c(F)cccc3Cl)c(Br)c2)CCC1,0.0
Cc1ccccc1-c1ccc2c(c1)CCc1c-2nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C(CCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
C[C@H]([NH2+][C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-],0.0
O=C(OCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
C[C@H](N[P@@](=O)([O-])Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
O=C(OCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1cccnc1,0.0
c1ccc(COCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
c1ccc(COCCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
c1ccc(COCCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
O=C(OCc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
c1ccc(OCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C1(CC1)O2,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(Cl)c(C(F)(F)F)c2)cc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccnc2)cc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3ccccc3c2)cc1,0.0
COc1ccccc1COCCCOc1ccc([C@@H]2CC[NH2+]C[C@@H]2OCc2cccc3c2NCCC3)cc1,0.0
c1ccc(CCOCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
COCCCOc1cc(C[C@H](C[C@@H]([NH3+])[C@H](O)C[C@@H](C)C(=O)NCCCc2nc(C)no2)C(C)C)ccc1OC,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3cccnc3c2)cc1,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCCCC(=O)OC)CCC2,0.0
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3cccnc3c2)cc1,0.0
c1ccc(OCCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCNC(C)=O)C(C)C)ccc1OC,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCC[NH+]2CCSCC2)C(C)C)ccc1OC,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCC(=O)N2CCOCC2)C(C)C)ccc1OC,0.0
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])C[C@H](Cc1ccc(OC)c(OCc2ccncc2)c1)C(C)C,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC,0.0
c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)nc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3c(c2)NCCC3)cc1,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3c(c2)NCCC3)cc1,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCc2nnn[n-]2)C(C)C)C(C)C)ccc1OC,0.0
c1ccc(OCCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
c1ccc(COCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@H](C(=O)NCCN2CCOCC2)C(C)C)C(C)C)ccc1OC,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCc2c[nH]c[nH+]2)C(C)C)ccc1OC,0.0
c1ccc(COCCCOc2ccc([C@H]3[C@H](Cn4cncn4)C[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCN2CCOCC2)C(C)C)ccc1OC,0.0
COc1ccccc1COCCCOc1ncc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1,0.0
Cc1ccc(NC(=O)CSc2ccccc2)c(C)c1C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
C=C(Cl)C[C@H](C[C@H](O)[C@H](CC1CCCCC1)NC(=O)c1cc2cc(Cl)ccc2[nH]1)C(=O)NC,0.0
O=c1[nH]ccc2c(S(=O)(=O)CN3CCC[NH2+]CC3)cccc12,0.0
C[NH2+][C@@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1,0.0
c1ccc(C[N@@H+]2CCC[C@@H](Oc3ccc4[nH]ncc4c3)C2)cc1,0.0
Clc1ccc(C[N@@H+]2CCC[C@@H](Nc3cccc4cnccc34)C2)cc1,0.0
c1ccc(C[N@H+]2CC[C@H](Nc3cccc4cnccc34)CC2)cc1,0.0
c1csc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
c1ccc(C[N@H+]2CC[C@H](Oc3ccc4[nH]ncc4c3)CC2)cc1,0.0
CC(C)CC[N@@H+]1CCC[C@@H](Nc2ccc3[nH]ncc3c2)C1,0.0
c1c[nH]c(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
c1coc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
Cc1c(-c2ccnc(N)n2)sc2ccc(Oc3cccc(O)c3)cc12,0.0
C[C@@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1ccccc1,0.0
c1ccc(C[N@H+]2CC[C@H](Nc3ccc4[nH]ncc4c3)CC2)cc1,0.0
Cc1c(-c2ccnc(N)n2)sc2ccc(Nc3cccc(O)c3)cc12,0.0
CCn1c(-c2nonc2N)nc2cncc(OC3CC[NH2+]CC3)c21,0.0
CCn1c(-c2nonc2N)nc2cncc(C(=O)N[C@@H]3CCC[NH2+]C3)c21,0.0
[NH3+]CCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1,0.0
Clc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
c1ccc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)nc1,0.0
c1cncc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
CC(C)CC[N@@H+]1CCC[C@@H](Nc2cccc3cnccc23)C1,0.0
CCC[NH2+][C@H]1CC[C@H](Nc2cccc3cnccc23)CC1,0.0
c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)ccn1,0.0
CCn1c(-c2nonc2N)nc2cncc(CNC3CC[NH2+]CC3)c21,0.0
CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[C@@H]([NH3+])C3)c21,0.0
Nc1nonc1-c1nc2ccccc2n1C1CCCC1,0.0
O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
CCn1c(-c2nonc2N)nc2cncc(C(=O)N3CC[NH2+]CC3)c21,0.0
O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]([NH2+]C1CC1)c1ccccc1,0.0
c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cs1,0.0
Cc1c(-c2ccnc(N)n2)sc2ccc([C@@H]([NH3+])c3cccc(O)c3)cc12,0.0
O=C(NCc1c(Cl)cccc1Cl)Nc1ccc2[nH]ncc2c1,0.0
O=C(Nc1ccc2[nH]ncc2c1)[C@@H]1CCC[N@@H+](Cc2ccccc2)C1,0.0
CCn1c(-c2nonc2N)nc2cncc(C(=O)NC3CC[NH2+]CC3)c21,0.0
Nc1nonc1-c1nc2ccccc2n1C1CC1,0.0
CCn1c(-c2nonc2N)nc2cnc(OC)cc21,0.0
c1cc(-c2cnc(N3CCCC3)c(N3CC[NH2+]CC3)n2)c2cc[nH]c2n1,0.0
Nc1nonc1-c1nc2ccccc2n1CC1CCC1,0.0
Nc1nonc1-c1nc2ccccc2n1CC1CC1,0.0
CC(=C/C=C\C(C)=C\C(=O)[O-])/C=C1\CCCc2ccccc21,0.0
CCN(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(C(=O)[O-])cn1,0.0
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1,0.0
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1,0.0
CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)CC3)ccc21,0.0
C/C(=C\c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1Oc1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C,0.0
CC1(C)CCC(C)(C)c2cc(Sc3ccc(C(=O)[O-])cc3)ccc21,0.0
Cc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C,0.0
CO/N=C(\c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1sc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
Cc1cc2c(cc1[C@]1(c3ccc(C(=O)[O-])cc3)CO1)C(C)(C)CCC2(C)C,0.0
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cn1,0.0
Cc1cc2c(cc1Cc1ccc(C(=O)[O-])c(F)c1)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1C1(c3ccc(C(=O)[O-])cn3)CC1)C(C)(C)CCC2(C)C,0.0
C=C(c1ccc(C(=O)[O-])cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C(C)C)cc1,0.0
Cc1cc2c(cc1Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1ccc(C(=O)[O-])o1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1cc(C(=O)[O-])cs1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
CC(/C=C/C1=C(c2ccc3c(c2)C(C)(C)CCC3(C)C)CCC1)=C\C(=O)[O-],0.0
CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4sc(CCC(=O)[O-])cc43)ccc21,0.0
CCOc1c(/C(C)=C\C=C\C(C)=C\C(=O)[O-])cc(C(C)C)cc1C(C)C,0.0
CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)OCCO3)ccc21,0.0
Cc1oc(/C=C/C(=O)[O-])cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C,0.0
CCC1=C(C(C)C)/C(=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])CCC1,0.0
Cc1cc2c(cc1Sc1ccc(C(=O)[O-])cn1)C(C)(C)CCC2(C)C,0.0
CC1=C(/C=C/c2occc2/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1,0.0
C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C,0.0
CC(/C=C/[C@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-],0.0
Cc1cc2c(cc1Sc1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C,0.0
C=C(c1ccc(C(=O)[O-])s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1C1(c3ccc(C(=O)[O-])cc3)CC1)C(C)(C)CCC2(C)C,0.0
CCO/N=C(\c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)OCCCO3)ccc21,0.0
CC1(C)CCC(C)(C)c2cc([C@]3(c4ccc(C(=O)[O-])cc4)OCCS3)ccc21,0.0
CC(/C=C/C1(c2cc3c(cc2C)C(C)(C)CCC3(C)C)OCCO1)=C\C(=O)[O-],0.0
C=C1[C@@H](CO)[C@@H](O)[C@@H](O)[C@@H]1n1cnc2c(N)ncnc21,0.0
Nc1ncnc2c1ncn2[C@@H]1C(F)=C(CO)[C@@H](O)[C@H]1O,0.0
C#C/C=C/[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
CC(C)COC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@@H](/C=N/O)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C/C(=C\F)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C/C(=C/F)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=N/O)[C@@H](O)[C@H]1O,0.0
C[C@@H](O)C1=C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=C/I)[C@@H](O)[C@H]1O,0.0
CCO/N=C/[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
C=C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)OCCCl)[C@@H](O)[C@H]1O,0.0
C[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=C/Br)[C@@H](O)[C@H]1O,0.0
CC(C)OC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)[C@@H]1F,0.0
CC[C@H]1C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C/F)[C@H]([O-])[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C\F)[C@H]([O-])[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=C/Cl)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)[O-])[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)OCc2ccccc2)[C@@H](O)[C@H]1O,0.0
Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@H]1O,0.0
CCN(CC)C(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1nccc2c1ncn2[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C/F)[C@@H]([O-])[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1O[C@@H](C=O)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](C=O)[C@@H](O)[C@H]1O,0.0
Nc1cc[nH+]c2c1ncn2[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O,0.0
CCCCOC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
CC1=C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
C#C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](CF)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C\F)[C@@H]([O-])[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@H](C=O)[C@@H]1C=O,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C=O)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1CC[C@@H](O)[C@H]1O,0.0
CO/N=C/[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1C=C[C@@H](O)[C@H]1O,0.0
Nc1nccc2c1ncn2C/C=C\[C@@H](O)CO,0.0
Nc1ncnc2c1ncn2C/C=C\[C@@H](O)CO,0.0
Nc1ncnc2c1ncn2CC=C(CO)CO,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
O=c1[nH]c2cc(O)c(O)cc2c2ccc(O)c(O)c12,0.0
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,0.0
Fc1ccc([C@H](Cl)Cn2ncc3c(Nc4cccc(F)c4)ncnc32)cc1,0.0
Nc1ncnc2c1c(-c1ccccc1)nn2-c1ccccc1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCC1,0.0
Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1,0.0
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,0.0
O=C1NC(=O)c2c1c1[nH]cnc1c1[nH]c3ccccc3c21,0.0
Cc1ccc(-c2cn(C(C)(C)C)c3ncnc(N)c23)cc1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1,0.0
C[C@@H]1C[C@@H]2O[C@@H]2/C=C\C=C\C(=O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,0.0
NS(=O)(=O)c1cccc(Nc2nc(N3CC[NH2+]CC3)nc3[nH]cnc23)c1,0.0
Oc1cccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0.0
Oc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0.0
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21,0.0
Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1,0.0
COC(=O)CN1CC[C@@H](n2cc(-c3cccc(O)c3)c3c(N)ncnc32)C1,0.0
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccncc3)nnc2c1,0.0
COc1cc2ncnc(Nc3ccc(Cl)cc3Cl)c2cc1OC,0.0
CC(C)(C)n1nc(-c2ccc(Cl)cc2)c2c(N)ncnc21,0.0
Nc1ncnc2c1c(-c1ccccc1)cn2C1CC1,0.0
Nc1ncnc2c1c(-c1ccccc1)cn2[C@H](CO)c1ccccc1,0.0
COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(F)c3)c1C2,0.0
Cc1cccc(C)c1Nc1ncc(-c2ccncc2)n2cncc12,0.0
Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)n[nH]1,0.0
Cc1cc(Nc2nc(Nc3ccccc3)[nH+]c3ccccc23)n[nH]1,0.0
O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2[C@H]1CC[N@H+](CCO)CC1,0.0
Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12,0.0
Nc1ncc2cc(-c3c(Cl)cccc3Cl)c(=O)n(Cc3ccccc3)c2n1,0.0
Cc1cccc(C)c1Nc1ncc(-c2cccs2)n2cncc12,0.0
COc1cc2[nH+]c(Nc3cc(C)[nH]n3)nc(Nc3cccc(-c4nc5ccccc5s4)c3)c2cc1OC,0.0
CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1,0.0
CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCC[N@@H+]5C)c4)nc3c2)ccn1,0.0
O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12,0.0
FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccnc3ccccc23)c1,0.0
c1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)cc1,0.0
Cc1cccc(-c2nc(Nc3ccncn3)c3ccccc3n2)n1,0.0
Clc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)cc1,0.0
Cc1cccc(-c2n[nH]cc2-c2ccc3ncccc3n2)n1,0.0
Cc1cccc(-c2cc(Nc3ccncc3)c3ccccc3n2)n1,0.0
c1ccc(-c2c[nH]nc2-c2ccnc3ccccc23)nc1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1,0.0
Fc1ccc(-c2n[nH]cc2-c2ccnc3ccccc23)nc1,0.0
Cc1cccc(-c2nc(C)cc(Nc3ccncc3)n2)n1,0.0
Cc1cccc(-c2n[nH]cc2-c2ccc(O)cc2)n1,0.0
Cc1cccc(-c2nc(Nc3ccncc3)c3sccc3n2)n1,0.0
Cc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1,0.0
c1ccc(-c2n[nH]cc2-c2ccc3ncccc3n2)nc1,0.0
Cc1cccc(-c2[nH]ncc2-c2ccc(F)cc2)n1,0.0
Cc1cc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)ccn1,0.0
Cc1csc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1,0.0
Brc1cccc(-c2[nH]ncc2-c2ccnc3ccccc23)n1,0.0
Cc1ccc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(C)n1,0.0
O=C(C[NH+]1CCCC1)Nc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCC[NH+]4CCCC4)cc3)c2)nc1,0.0
Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)nc1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCN4CCOCC4)cc3)c2)nc1,0.0
Cc1cccc(-c2nc(Nc3ccc4[nH]ncc4c3)c3ccccc3n2)n1,0.0
CN(C(=O)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)C1CCOCC1,0.0
COc1cc2nccc(Oc3cc(C)c(C)cc3C(C)=O)c2cc1OC,0.0
Cc1cccc(-c2nc(Nc3ccncc3)c3c(C)csc3n2)n1,0.0
Cc1cccc(-c2[nH]c(NCc3ccc(C#N)cc3)[nH+]c2-c2ccc3c(c2)OCO3)n1,0.0
O=C(Nc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)C1CCOCC1,0.0
C[NH+](C)CCCc1cccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)c1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(C[NH2+][C@@H]4CCCOC4)cc3)c2)nc1,0.0
C[NH+](C)CCOc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1,0.0
O=C(NC1CCOCC1)c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1,0.0
Cc1cccc(-c2nc(Nc3cccc(C(N)=O)c3)c3ccccc3n2)n1,0.0
c1ccc(-c2n[nH]c(C3CC3)c2-c2ccnc3ccccc23)nc1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCn4cc[nH+]c4)cc3)c2)nc1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(C[NH+]4CCCC4)cc3)c2)nc1,0.0
c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1,0.0
Cc1cc2[nH]c(C(=O)[O-])cc(=O)c2c(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c2c1CCC2,0.0
CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)[O-])cc(=O)c3c2Cl)ccc1O,0.0
Cc1cc(CCC(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1,0.0
Cc1cc2nc(C(=O)[O-])ccc2c(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
Cc1cc(OCC(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1,0.0
O=C([O-])CCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)c1,0.0
O=C([O-])CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1,0.0
O=C([O-])Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1,0.0
CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)[O-])cc3c2Cl)ccc1O,0.0
CC(C)c1cc(Oc2c(Br)cc(CCC(=O)[O-])cc2Br)ccc1O,0.0
CC(C)c1cc(Oc2c(Br)cc(CC(=O)[O-])cc2Br)ccc1O,0.0
CCCCCCSc1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl,0.0
CCNc1cccc(COc2c(Br)cc(CCC(=O)[O-])cc2Br)c1,0.0
CC(C)c1cc(Oc2c(Br)cc3[nH]c(C(=O)[O-])cc(=O)c3c2Br)ccc1O,0.0
CC(C)c1cc(Oc2c(Br)cc3c(c2Br)C[C@@H](C(=O)[O-])C3)ccc1O,0.0
CCCCCCOc1ccc(C(=O)CCN2CCOCC2)c(Cl)c1Cl,0.0
CCCCCCOc1c(Br)cc(CCC(=O)[O-])cc1Br,0.0
Cc1cc(NC(=O)C(=O)OCc2ccccc2)cc(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
CC(C)c1cc(Oc2c(Br)cc3[nH]c(C(=O)[O-])cc3c2Br)ccc1O,0.0
Cc1cc(N[C@H](Cc2ccccc2)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
[NH3+][C@@H](Cc1cc(Br)c(Oc2ccc(O)c(Cc3ccc([O-])nn3)c2)c(Br)c1)C(=O)[O-],0.0
CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c([C@@H](O)c3ccc(F)cc3)c2)c(C)c1,0.0
CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1,0.0
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(S(=O)(=O)NC4CCC4)c3)c(Cl)c2)c(=O)[nH]1,0.0
O=C([O-])Nc1cc(Cl)c(-c2cccc3c(-c4ccccc4)c(O)ccc23)c(Cl)c1,0.0
CC(C)c1cc(Oc2c(Br)cc(C[C@H]3NC(=O)NC3=O)cc2Br)ccc1O,0.0
CC(C)c1cc(Oc2c(Cl)cc(N[C@H](Cc3ccccc3)C(=O)[O-])cc2Cl)ccc1O,0.0
CCCCCCOc1cc(Cl)c(C(=O)CC[NH+](C)C)cc1Cl,0.0
CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2ccccc2Cl)c1,0.0
Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCC(=O)[O-])c(I)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc(O)cc2)CCC3)n1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc(F)cc2)CCC3)n1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C2CCCCC2)c1,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)N2CCN(C)CC2)c1,0.0
O=C([O-])C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(C(=O)c3ccc(F)cc3)c2)c(Cl)c1,0.0
O=C([O-])CC(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1,0.0
CCCCCCOc1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1Cl,0.0
CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCOCC2)c(Cl)c1,0.0
NC(=[NH2+])c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1,0.0
N#Cc1ccc(N)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1C[NH3+],0.0
Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2ccccc2S(=O)(=O)c2ccccc2)c1,0.0
[NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)CO,0.0
FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)[C@@H]1CCCC[NH2+]1,0.0
O=C1O[C@H]2CCC[C@@H]2[C@H]1Sc1ccccc1,0.0
Cc1cc(OCC/C=N/[NH+]=C(N)N)cc(OS(=O)(=O)c2cccc3cccnc23)c1,0.0
Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2cccc3cnccc23)c1,0.0
N#Cc1ccc(NCc2cccc3cccnc23)c(F)c1CC(=O)NCCONC(N)=[NH2+],0.0
Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1,0.0
Cc1cc(OCCCC[NH+]=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1,0.0
CCN(C(=O)c1cc(C)cc(OCCCON=C(N)N)c1)C1CCCCC1,0.0
Cc1[nH+]c(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)C2CC2)c(N)c1=O,0.0
NC(=[NH2+])NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc3cnccc23)c1F,0.0
Cc1cc(OCCNc2cc[nH+]cc2)cc(OS(=O)(=O)c2cccs2)c1,0.0
N#Cc1ccc(NCC(F)(F)c2ccc(Cl)c[n+]2[O-])c(F)c1CC(=O)NCCONC(N)=[NH2+],0.0
N#Cc1ccc(NCC(F)(F)c2ccc(Cl)cn2)c(F)c1CC(=O)NCCONC(N)=[NH2+],0.0
Cc1cnc(NCCc2cccc3ccccc23)c(=O)n1CC(=O)NCCONC(N)=[NH2+],0.0
CC(C)(C1CC1)[C@@H](O)C(=O)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+],0.0
NC(=[NH2+])NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc3cccnc23)c1F,0.0
Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cnc2[nH]ccc2c1,0.0
[NH3+]CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H]([NH3+])CC1CCCCC1)C(=O)C(=O)[O-],0.0
Cc1cc(OCCCON=C(N)N)cc(C(=O)N(Cc2ccoc2)C2CCC2)c1,0.0
[NH3+][C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H]([NH3+])CC1)C1CCCCC1,0.0
CCNC(=O)COc1ccc(Cl)cc1CNC(=O)Cn1c(C)cnc(N)c1=O,0.0
Cc1cnc(NCC(F)(F)c2ccccc2)c(=O)n1CC(=O)NCCONC(N)=[NH2+],0.0
CCCN(CC1CCC1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,0.0
Cc1cc2oc(Cc3ccccc3-n3cncn3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1,0.0
Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1,0.0
Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1F,0.0
Cc1[nH+]c[nH]c1CNC(=O)Cn1c(C)cnc(NCCc2ccccn2)c1=O,0.0
FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cnnn3)nc12)c1ccccn1,0.0
FC(F)(CNc1cccc2oc(Cc3cc(Cl)ccc3Cl)nc12)c1ccccn1,0.0
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1,0.0
CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+],0.0
Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2n1,0.0
COc1ccc2ccc(C(N)=[NH2+])cc2c1[C@@H]1CCOC1,0.0
COC(=O)C[C@H](CCc1ccc(NC(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1,0.0
Cc1ccc(NC(=O)OCc2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(N)=[NH2+])CC1,0.0
NC(=[NH2+])c1cccc(Oc2cncc(Oc3cccc(C(N)=[NH2+])n3)n2)c1,0.0
NC(=[NH2+])NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1,0.0
O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1,0.0
O=C1O[C@H]2CCC[C@@H]2[C@@H]1Sc1ccccc1,0.0
NC(=[NH2+])c1ccc(CC[C@@H](CC(=O)n2cccc2)c2cccc(C(N)=[NH2+])c2)cc1,0.0
FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)[C@@H]1CCCC[NH2+]1,0.0
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2cccc[n+]2[O-])cc1,0.0
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@@H]([NH2+]CC(=O)[O-])C2CCCCC2)cc1,0.0
NC(=[NH2+])N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCCNC(=O)c2cnccn2)NS(=O)(=O)Cc2ccccc2)[C@H]1O,0.0
CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(N)=[NH2+])cc23)co1,0.0
NC(=[NH2+])c1cccc(O[C@H]2N=C(Oc3cccc(C(N)=[NH2+])n3)CNC2=O)c1,0.0
CCOC(=O)[C@@H]1CCCC[C@@H]1NC(=O)[C@H](Cc1ccccc1)c1cccc2ccc(C(N)=[NH2+])cc12,0.0
NC(=[NH2+])N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2ccc(=O)[nH]c2)NS(=O)(=O)Cc2ccccc2)[C@H]1O,0.0
NC(=[NH2+])c1ccc2cccc(N)c2c1,0.0
NC(=[NH2+])N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2ccccn2)NS(=O)(=O)Cc2ccccc2)[C@H]1O,0.0
COc1ccc(Cc2nc(C(=O)[C@H](CCCC[NH3+])NC(=O)OCc3ccccc3)no2)cc1,0.0
NC(=[NH2+])N1CCC[C@H](NC(=O)CNC(=O)[C@@H](CCNC(=O)c2cn[nH]c2)NC(=O)OCc2ccccc2)[C@H]1O,0.0
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2ccncc2)cc1,0.0
COC(=O)C[C@H](CCCCc1ccc(NC(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1,0.0
COC(=O)CN(CCCOc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1,0.0
NC(=[NH2+])Nc1ccc(C(=O)Oc2ccc3cc(C(N)=[NH2+])ccc3c2)cc1,0.0
Clc1cccc(Cc2nc3c(NCC[C@@H]4CCCC[NH2+]4)nccc3o2)c1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCCc2cccc3ccccc23)CC1,0.0
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2ncc[nH]2)cc1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)n1,0.0
CCOC(=O)N[C@@H](CCCC[NH3+])C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1,0.0
NC(=[NH2+])N1CCC(C[C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@@H]2O)CC1,0.0
NC(=[NH2+])c1cccc(OCC(=O)Nc2ccc(C(=O)N3CC=CC3)cc2)c1,0.0
NC(=[NH2+])N1CCC([C@@H](NS(=O)(=O)Cc2ccccc2)C(=O)NCC(=O)N[C@H]2CCCN(C(N)=[NH2+])[C@@H]2O)CC1,0.0
O=C(NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)Nc1ccccc1,0.0
O=C(Cc1ccccc1)NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
O=C(NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)Oc1ccccc1,0.0
O=C(NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)OCc1ccccc1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3c(c2)CNCC3)cc1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3ccccc3c2Cl)cc1,0.0
O=C(NCCc1ccccc1)c1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
O=C(NCc1ccccc1)Nc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
O=C(Nc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)OCc1ccccc1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2cc3ccccc3s2)cc1,0.0
O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)c2ccccc2)[C@@H]1C(=O)[O-],0.0
O=C(CCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
CCOC(=O)N[C@@H](CCCC[NH3+])C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1,0.0
Cc1nc2ccc(S(=O)(=O)NCC[NH2+]CCCc3ccc(C[NH3+])cc3)cc2s1,0.0
O=C(CCc1ccccc1)Nc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1,0.0
O=C(CCCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1C(=O)[O-],0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)Nc1ccccc1,0.0
O=C(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)c2cccs2)[C@@H]1C(=O)[O-],0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)Nc2ccccc2)[C@@H]1C(=O)[O-],0.0
[NH3+]Cc1ccc(CNC(=O)CC(=O)NCc2ccc(CNC(=O)CC(=O)NCc3ccc(C[NH3+])cc3)cc2)cc1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccccc2)cc1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2cccc3ccccc23)CC1,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)[O-],0.0
[NH3+]Cc1ccc(CC[NH2+]CCNS(=O)(=O)c2ccc3ccccc3c2)cc1,0.0
NC(=[NH2+])c1ccc(C(=O)NCC2CCN(C(=O)NCCC(c3ccccc3)c3ccccc3)CC2)cc1,0.0
NC(=[NH2+])c1ccc(C(=O)NCc2ccc(C(=O)NCCC(c3ccccc3)c3ccccc3)cc2)cc1,0.0
O=C(NCCCC(=O)N1CCN(C(=O)N2C(=O)[C@H](CC3CC[NH2+]CC3)[C@H]2C(=O)[O-])CC1)OCc1ccccc1,0.0
[NH3+]CCCC[C@H]1C(=O)N(C(=O)N2CCN(C(=O)CCCCCc3ccccc3)CC2)[C@@H]1C(=O)[O-],0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCCc2cccc3ccccc23)CC1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCCc3ccccc3)cc2)n1,0.0
CCOC(=O)N[C@@H](CCCC[NH3+])C(=O)c1noc(Cc2ccc(C(=O)NC3Cc4ccccc4C3)cc2)n1,0.0
CC(=O)N1CC[C@H]1C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
[NH3+]Cc1ccc(CNC(=O)CCC(=O)NCc2ccc(CNC(=O)CCC(=O)NCc3ccc(C[NH3+])cc3)cc2)cc1,0.0
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc2ccccc2c1O)C(=O)N1CCC[C@@H]1C(N)=O,0.0
CC(=O)N1C[C@H](O)C[C@H]1C(=O)N[C@H](CCC[NH+]=C(N)N)C(=O)c1nccs1,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)N2CCN(S(=O)(=O)c3ccccc3)CC2)[C@@H]1C(=O)[O-],0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NCCc3ccccc3)cc2)n1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(C(=O)NC/C=C/c3ccccc3)cc2)n1,0.0
CCOC(=O)N[C@@H](CCCC[NH3+])C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)c2ccc(CCCc3ccccc3)cc2)CC1,0.0
CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1,0.0
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,0.0
Cc1ccc2nc(N)[nH]c(=O)c2c1Sc1ccnnc1,0.0
Cc1cc(CN(C)c2ccc3c4c(ccc(C)c24)C(=[NH2+])N3)ccn1,0.0
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2,0.0
O=c1nc(NO)c(F)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1,0.0
Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1,0.0
Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccncc1,0.0
Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1,0.0
Nc1nc2c(c(=O)[nH]1)N[C@H](CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,0.0
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s4)cc3c2c(=O)[nH]1,0.0
Cc1nc2[nH]c(C)c(Sc3ccncc3)c2c(=O)[nH]1,0.0
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c4)cc3c2c(=O)[nH]1,0.0
CCc1[nH+]c(N)nc(N)c1-c1cccc(Cl)c1,0.0
Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1,0.0
COC(=O)[C@@H](N[P@@](=O)([O-])OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O)[C@@H]1C=Nc2ccccc21,0.0
CN(CCCCCl)[P@](=O)(OCc1ccc([N+](=O)[O-])o1)OC[C@@H]1O[C@@H](n2cc(F)c(=O)[nH]c2=O)C[C@H]1O,0.0
Cc1ccc(-c2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)cc1,0.0
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1nnc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1,0.0
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ncc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1,0.0
O=c1[nH]c(=S)n([C@@H]2C[C@@H](OP(=O)([O-])[O-])[C@@H](COP(=O)([O-])[O-])O2)cc1F,0.0
CN(Cc1ccnc(Sc2ccccc2)c1)c1ccc2c3c(cccc13)C(=[NH2+])N2,0.0
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ncc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc2cc(CO)ccc2c1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)N[C@@H](CCC[S@](=O)c2nnn[n-]2)C(=O)[O-])c(F)c1,0.0
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1nnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](Cc2cccc([N+](=O)[O-])c2)C(=O)[O-])cc1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc(S(=O)(=O)N2CCOCC2)cc1,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)NCc2ccccc2)C(=O)[O-])cc1,0.0
Cc1nc2ccc(C)c(Sc3ccc(S(=O)(=O)c4ccccc4)cc3)c2c(=O)[nH]1,0.0
CN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1,0.0
Cc1nc(N)nc2c1c(CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1)cn2Cc1ccccc1,0.0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
Nc1nc2c(c(=O)[nH]1)-c1cc(S(=O)(=O)Nc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)ccc1CC2,0.0
Cc1nc2ccc(CN(CCF)c3cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1,0.0
C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O,0.0
CC(C)COc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O,0.0
NC(=[NH2+])c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Br)c3[O-])cc2c1,0.0
NC(=[NH2+])c1ccc2cccc(Nc3ncccn3)c2c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1,0.0
COc1ccc2ccc(C(N)=[NH2+])cc2c1Oc1cnccn1,0.0
CC(C)Oc1cccc([C@@H]2C[C@@H]2c2ccc3cc(C(N)=[NH2+])ccc3c2)c1,0.0
NC(=[NH2+])c1ccc2cccc(NC(=O)OCc3ccccc3)c2c1,0.0
NC(=[NH2+])c1ccc2nc(-c3cccc(Oc4ccccc4)c3O)[nH]c2c1,0.0
COc1ccc2ccc(C(N)=[NH2+])cc2c1[C@@H]1CCOC1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1,0.0
NC(=[NH2+])c1ccc2cc([C@H]3O[C@@H]3c3ccccc3)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/c1ccc2c(c1)OCO2,0.0
NC(=[NH2+])c1cc2c(Nc3ncccn3)cccc2s1,0.0
NC(N)=[NH+]CCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/C(=O)NCc1ccccc1,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/c1cccc(C(=O)[O-])c1,0.0
COC(=O)Nc1cccc2ccc(C(N)=[NH2+])cc12,0.0
NC(=[NH2+])Nc1ncc(Cl)cc1OCc1ccccc1,0.0
CCS(=O)(=O)c1cc(-c2cc(C(=O)Nc3cccc(OC4CCCC4)c3)cc3ccc(C(N)=[NH2+])cc23)co1,0.0
NC(=[NH2+])NCc1ccc([C@@H]2CC/C(=C/I)OC2=O)cc1,0.0
CSc1sc(C(N)=[NH2+])cc1-c1csc(NCc2ccc(C)cc2)n1,0.0
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@@H]4CCCO4)c3O)nc2cc1F,0.0
Cc1ccc(C[N@@H+]2CCc3cc(NC(=O)c4ccc5cc(C(N)=[NH2+])ccc5c4)ccc3C2)cc1,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccccc3)cc(-c3ccoc3)c2c1,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3cccc(CCO)c3)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3ccc4c(c3)CC[NH2+]C4)ccc2c1,0.0
CSc1sc(C(N)=[NH2+])cc1-c1csc(-c2ccccc2)n1,0.0
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CCC[C@@H]3C(=O)[O-])cc12,0.0
NC(N)=Nc1ncc(Cl)c2ccc(-c3ccc4c(c3)OCO4)cc12,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3cccc(CC4CCCC4)c3)ccc2c1,0.0
CC(=[NH2+])N1CC[C@@H](Oc2ccc([C@H](Cc3ccc4cc[n+](C(N)=[NH2+])cc4c3)C(=O)[O-])cc2)C1,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
C1=C(c2cnn3cc(-c4ccncc4)cnc23)CCC1,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,0.0
COC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C,0.0
Cc1ccc(Nc2ccnc(Nc3cccc(Br)c3)n2)cc1O,0.0
COc1cc2ncnc(Nc3ccc(C)c(O)c3)c2cc1OC,0.0
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,0.0
O=C(Nc1cnc2ccccc2c1)c1ccccc1NCc1ccncc1,0.0
c1cc(-c2cnc3c(-c4ccsc4)cnn3c2)ccn1,0.0
Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2ccnn12,0.0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1,0.0
Cc1ccc(Nc2ncnn3cc(C(=O)NCCC[NH+]4CCCC4)c(C(C)C)c23)cc1O,0.0
Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,0.0
c1ccc(-c2cnc(Nc3cnccn3)s2)cc1,0.0
O=C(Nc1ccc(OC(F)(F)F)cc1)c1ccnn1CCc1ccncc1,0.0
COc1cccc(Nc2ncc(-c3ccccc3)s2)n1,0.0
O=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1cccc(C(F)(F)F)c1,0.0
O=C(Nc1cccc(Cl)c1)c1cccnc1NCc1ccncc1,0.0
COC(=O)c1cn2ncnc(Nc3cnc4[nH]ccc4c3)c2c1C(C)C,0.0
Nc1n[nH]c2ccnc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,0.0
c1ccc(-n2cnc3cc(-c4ccc(OCC[NH+]5CCCCC5)nc4)ccc32)cc1,0.0
COC(=O)/N=c1/[nH]c2ccc(Oc3cccc(NC(=O)Nc4cc(C(F)(F)F)ccc4F)c3)cc2[nH]1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cccnc5)cnn4c3N)cc2)c1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(C5CC5)cnn4c3N)cc2)c1,0.0
Cc1n[nH]c2cc(N(C)c3cc[nH+]c(Nc4cccc(S(N)(=O)=O)c4)n3)ccc12,0.0
c1ccc(-c2cnc(Nc3ccc(C[NH+]4CCCC4)cn3)s2)cc1,0.0
Cc1ccc(Nc2ncnn3cc(NC(=O)OCCCn4nccn4)c(C(C)C)c23)cc1O,0.0
Cc1ccc(Nc2ncnn3cc(NC(=O)OCCC[NH+]4CCCCC4)c(C(C)C)c23)cc1O,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,0.0
Cc1cc2c(F)c(Oc3ncnc(N)c3/C=N/OCCCO)ccc2[nH]1,0.0
COc1cc2ncnc(Nc3ccc4c(C)n[nH]c4c3)c2cc1OC,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5ccccc5)cnn4c3N)cc2)c1,0.0
Cn1ncc(NCc2ccncc2)c1C(=O)Nc1ccc(OC(F)(F)F)cc1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(Nc2ccc(N3CC[NH+](C)CC3)cc2)nc1,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC,0.0
Cc1cc(NC(=O)c2c(NCc3ccncc3)ncn2C)ccc1C(F)(F)F,0.0
COc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1oc3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccncc1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1oc3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1cccnc1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1cc[nH]c1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccc[nH]1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1cccs1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccsc1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1ccc1[nH]c3ccc(O)cc3c21,0.0
Cn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCO,0.0
NC(=O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCC(=O)N1CCOCC1,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCNc1ccccc1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCC[NH+]4CCCC4)c(O)cc3c21,0.0
O=C([O-])CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
NC(=O)CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCC(=O)n1ccnc1,0.0
C[NH+]1CCN(CCCn2c3ccc(O)cc3c3c4c(ccc32)C(=O)NC4=O)CC1,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCC(=O)n1ccnc1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCn1ccnc1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCN4CCOCC4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCn4cccc4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCN4CCOCC4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCC[NH+]4CCCC4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCn4cccc4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCC(=O)N1CCOCC1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCCN1CCOCC1,0.0
Cn1c2cc([S@](=O)CCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c(=O)c(-c2c(Cl)ccc(O)c2Cl)cc2cnc(Nc3ccccc3)nc21,0.0
Cn1c2cc(CCCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1c(Cl)cccc1Cl)cc1c2c2cc(O)ccc2n1CCO,0.0
Cn1c2cc(C(=O)NCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(C(=O)NCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(CCCCN3CCOCC3)cc2n1CCO,0.0
Cn1c2cc(CCCCN3CCOCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc([S@](=O)CCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCCO,0.0
Cn1c2cc(CCCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(OCCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(OCCCN3CCOCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C([O-])CCn1c2ccc(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(CCCCn3cccc3)cc2n1CCO,0.0
Cn1c2cc(OCCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1c2c2cc(O)ccc2n1CCn1ccnc1,0.0
Cn1c2cc(SCCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1C=C([O-])C(=O)C(CCc2cccc(CCc3ccccc3)c2)=C1O,0.0
Cc1cccc(CCc2cccc(CCC3=C(O)C(=O)C=C([O-])C3=O)c2)c1,0.0
O=C1C=C([O-])C(=O)C(CCc2ccccc2)=C1O,0.0
CCCCCCCCCCCC1=C(O)C(=O)C=C([O-])C1=O,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1,0.0
C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O,0.0
C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccco1,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1,0.0
CC[C@H]([NH3+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCc1ccccc1)C(C)C,0.0
CC[C@H]([NH3+])C(=O)N[C@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)[N@@H+]2C1,0.0
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(N)=O,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)[O-],0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccs1,0.0
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(=O)[O-],0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCc2ccccc21)C(C)(C)C,0.0
C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccccc3)[C@H]21)C(C)(C)C,0.0
CC[C@H]([NH3+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)C,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccccc3)[C@H]21)C(C)(C)C,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCC[C@H]4C=CC=C[C@@H]43)N2C1=O,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)N(C)c3ccc(F)cc3)[C@H]21)C(C)(C)C,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCc4ccccc43)N2C1=O,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1Cc2ccccc2[C@H]2CC[C@@H](C(=O)N[C@@H]3CCCc4ccccc43)N2C1=O,0.0
C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CC[C@@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC1c2ccccc2-c2ccccc21)C(C)(C)C,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3coc4ccccc34)[C@H]21)C(C)(C)C,0.0
CC(C)[C@H](NC(=O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(=O)[O-],0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc4occc4c3)[C@H]21)C(C)(C)C,0.0
CC(C)[C@H]([NH3+])C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
C[C@H]([NH3+])C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@H]3CCCc4ccccc43)N2C1=O,0.0
CC[C@H]([NH2+]C)C(=O)N[C@H]1CCC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,0.0
CCCC[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3csc4ccccc34)[C@H]21)C(C)(C)C,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCO)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
CC[C@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](NC(=O)[C@H](C)[NH3+])C(C)C)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CN=[N+]=[N-])CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
CC[C@H]([NH2+]C)C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CCO)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)/C(=C/c1ccccc1C)Oc1ccccc1-3,1.0
N#Cc1ccc(N2N=C(c3ccc(C(=O)[O-])cc3)C[C@H]2c2ccc(F)cc2)cc1Cl,1.0
C[C@]12CCC(=O)C=C1CC[C@@H]1[C@@H]2[C@@H](O)C[C@]2(C=O)[C@@H](C(=O)CO)CC[C@@H]12,1.0
COc1ccc(C)c(C(C)(C)C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)c1,1.0
Cc1c([N-]S(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1,1.0
Cn1c(C#N)ccc1-c1ccc2c(c1)[C@](C)(c1ccco1)OCC(=O)N2,1.0
CC1(C)CCC[C@]2(C)c3cc4c(C(F)(F)F)cc(=O)[nH]c4cc3N[C@H]12,1.0
Cc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,1.0
CCCC1=C(C(=O)OCC)[C@@H](c2ccnc3ccccc23)C(C#N)=C(C)N1,1.0
C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl,1.0
O=c1[nH]c(N2CCC(c3cccc(Cl)c3)CC2)c(Cc2ccccc2)c(=O)[nH]1,1.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,1.0
C=CCO[C@H](C)C1=CC(C)(C)Nc2ccc(-c3cc(F)ccc3OC)cc21,1.0
CC#C[C@]1(O)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3[C@@H](c3ccc(N(C)C)cc3)C[C@]21C,1.0
COCOCc1cc(F)ccc1/C=C1\Oc2ccc(O)c(OC)c2C2=C1[C@@H]1C(C)=CC(C)(C)N[C@H]1C=C2,1.0
COc1cccc2c1-c1ccc([N-]S(C)(=O)=O)cc1[C@@H](c1cccc(C)c1)O2,1.0
C[C@@](c1ccc(F)cc1F)(c1c[nH]c2c([N-]S(C)(=O)=O)cccc12)C1CC1,1.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12,1.0
C[C@@H]1C[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@]2(C)[C@@]1(O)C(=O)CO,1.0
COC(=O)[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@@]23O[C@@H]2C[C@@]2(C)[C@@H](CC[C@@]24CCC(=O)O4)[C@H]13,1.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F,1.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCCC2)cc1OCc1ccccc1,1.0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,1.0
COC(=O)C1=C(Cn2cncn2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl,1.0
COc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1,0.0
O=P([O-])([O-])[C@](O)(C[C@H]1CCCC[NH2+]1)[P@@](=O)([O-])O,0.0
O=C1c2ccccc2C(=O)N1c1c[nH]c(=O)[nH]c1=O,0.0
[H]/N=C1\C[C@H]2Oc3cc([C@@H]4COCCO4)c(O)cc3C[C@H]2C(N)=C1C#N,0.0
CCCCC[C@]12CC[C@](c3nnc4n3CCCCCC4)(CC1)CC2,0.0
O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)NCCCCCCO,0.0
CS[C@@]12OC(C)(C)O[C@@H]1C[C@H]1[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@@]3(F)[C@@H](O)C[C@@]12C,0.0
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,0.0
CCN(Cc1ccncc1)c1cc(-c2c(N)nn3cccnc23)ncn1,0.0
Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1,0.0
CC[C@H](C)C(=O)O[C@H]1C[C@@H](C)C[C@@H]2C=C[C@H](C)[C@H](CCC(=O)C[C@@H](O)CC(=O)[O-])[C@H]12,0.0
CNC1=C[C@H]2[NH+]=CN(C)/C(=N\c3cccc(Br)c3)[C-]2C=[NH+]1,0.0
[O-]c1ncnc2c(C[N@@H+]3C[C@H](CO)[C@@H](O)C3)c[nH]c12,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cc1,0.0
CC(C)(C)c1ccc(SCCc2c[nH]c[nH+]2)cc1,0.0
CC1=CC(C)(C)Nc2ccc3c(c21)COc1ccc([N+](=O)[O-])cc1-3,0.0
Nc1nc(N)c(CCC[C@H](C(=O)C(F)(F)F)c2ccc(C(=O)N[C@H](CCc3nnn[n-]3)C(=O)[O-])cc2)c(=O)[nH]1,0.0
O[C@@H]1[C@@H](O)[C@H](O)C[C@H]2O[C@@H]12,0.0
N#CC(=C(/N)Sc1cccs1)/C(C#N)=C(\N)Sc1cccs1,0.0
C=CC[C@H](NC(=O)CNS(=O)(=O)N1CCOCC1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
Nc1nc(N2CC[NH2+]CC2)c2c([nH+]1)C1=C(CC2)O[C@H]2CCCC[C@@H]12,0.0
COc1ccc(C2=C[C-](C3=NC4=NC=NC(=O)C4=C3)C=CN2)cc1,0.0
c1n[nH]cc1-c1cnc2ncc(-c3cn[nH]c3)n2c1,0.0
c1sc2[n+](c1CS/C(NC1CCCCC1)=[NH+]\C1CCCCC1)CCCN2,0.0
C[C@H]1CNc2c(sc3ccc4nc(Cl)ccc4c23)C(=O)N1,0.0
[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3N3CNC=N3)nc12,0.0
[NH3+][C@H](C(=O)N1CCCC1)[C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2,0.0
C=CC[N@@H+]1CCc2cccc3c2[C@@H]1Cc1cccc(O)c1-3,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2[C@@H]2C=C[C@H]3C2)cc1,0.0
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC1,0.0
CN(C)c1cccc2c(S(=O)(=O)NC[C@H]3[NH2+][C@H](CO)[C@H](O)[C@@H]3O)cccc12,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1ccc(Cl)cc1,0.0
[NH3+]Cc1ccc(-c2ccccc2)o1,0.0
CC[C@@H]1c2cc3c(cc2=[NH+]C[C@@H]1C)OC(O)=CC=3C(F)(F)F,0.0
O=C(Cc1nc2ccccc2n1Cc1ccccc1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1,0.0
CCOc1cccc2c1c(/C=C1\C([O-])=NN=C1c1snnc1C)cn2C,0.0
CS(=O)(=O)O[C@@H]1[C@@H](Cc2ccc(N3CC(=O)CS3(=O)=O)c(O)c2)CCC[C@@H]1Cl,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)NC1(CCCCC1)CC3,0.0
Cc1ccc[nH+]c1N[C@@H](P(=O)([O-])[O-])[P@](C)(=O)[O-],0.0
O=C1C=C(S(=O)(=O)[O-])[C@H]2C=CC=C[C@H]2C1=O,0.0
CC(=O)N[C@H]1[C@H]([C@@H](O)[C@H](O)CO)OC(C(O)O)=C[C@@H]1NC(N)=[NH2+],0.0
[NH3+][C@H]1CN(c2cnccn2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(C[C@@H]3C[C@@H]4CC[C@H]3C4)nc21,0.0
C/C=C/C=C/C=C1/C=C(CCC(=O)NO)C(=O)OC1,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])s2)c1,0.0
c1coc(CNc2ccc3n[nH]c(-c4nc5ccc(N6CCC([NH+]7CCCCC7)CC6)cc5[nH]4)c3c2)c1,0.0
C[C@H](CCCC(C)(C)O)[C@H]1CC[C@H]2[C@@H](C/C=C3/C[C@@H](O)CCC3(C)C)CCC[C@]12C,0.0
NC(=O)c1cccc2cn(-c3ccc4c(c3)CCNC4)nc12,0.0
COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCCCC2,0.0
O=Cc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)s1,0.0
O=[N+]([O-])c1cc2[nH]c([O-])c([O-])[n+](=O)c2cc1-n1ccnc1,0.0
Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1,0.0
CCCCNc1nc(SC)nc2c1cnn2C[C@@H](Cl)c1ccc(F)cc1,0.0
CC(C)[C@@H](N)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CN(Cc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+](CCc2ccccc2)CC1,0.0
O=C1C[C@@H]2CCC[C@](Sc3ccccc3)(C1)C2,0.0
O=C([O-])[C@@H]1C[C@H]2C[C@@H](CS(=O)(=O)c3nc[n-]n3)CC[C@H]2C[NH2+]1,0.0
COCc1cc2cc(c1)C(=O)N[C@H]([C@H](O)C[NH2+]C1(c3cccc(C(C)C)c3)CC1)Cc1cccc(c1)OCCCCN2,0.0
O=c1oc2c(c(O)c1C(C1CC1)C1CC1)CCCCCCC2,0.0
[H]/N=C1/N=C([O-])/C(=C2/CCNC(=O)c3[nH]c(Br)cc32)N1,0.0
N#CCc1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2c1,0.0
CCC1(CC)C(=O)Nc2ccc(-c3ccc(C#N)n3C)cc21,0.0
Oc1cc2[nH]c3c(O)c(O)cc(Br)c3c2cc1O,0.0
O=C(N/N=C/c1cc(C(=O)[O-])c(Nc2ccc(I)cc2F)c(F)c1F)c1ccc(CO)o1,0.0
CCCCCCCCCC[NH2+][C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/C1CCCCC1,0.0
Nc1cnc2ccn(S(=O)(=O)c3c(Cl)nc4sccn34)c2c1,0.0
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@H](O)C(=O)C4(C)C)[C@]3(C)C(=O)C[C@]12C,0.0
Cc1cccc(Cl)c1/N=C1\N[C@H]2N=CN(C)[C@H]2n2c1cnc2C,0.0
c1cc(C[N@@H+]2CCCNCC[NH2+]CCCNCC2)ccc1CN1CCC[NH2+]CCNCCCNCC1,0.0
[NH3+][C@@H](CC(=O)N1CCc2c(noc2C(F)(F)F)C1)Cc1cc(F)ccc1F,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccncc3)cc2)CCOCC1,0.0
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[NH2+]C2,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](CC(=O)OC)C2)[nH]1,0.0
Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
Cn1[nH+]c(S([NH-])(=O)=O)s/c1=N\S(=O)(=O)c1c(F)c(F)c(F)c(F)c1F,0.0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCCc1cn(CCCO)nn1,0.0
CNC(=O)c1nn(C)c2c1CCc1cnc(NC3CCN(C(=O)C4CCN(S(C)(=O)=O)CC4)CC3)nc1-2,0.0
COc1cc(Nc2c(C#N)cnc3cc4[nH]cnc4cc23)c(Br)cc1Cl,0.0
CC(C)c1ccccc1Sc1ccc(-c2cc[nH+]c(N3CCC(c4nnn[n-]4)CC3)c2)cc1C(F)(F)F,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCC[C@H]3C3CCCC3)c2s1,0.0
O=C(NCCc1cccs1)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
[NH3+][C@@H](Cn1ccc(=O)n(Cc2ccsc2C(=O)[O-])c1=O)C(=O)[O-],0.0
O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2F)cc1F,0.0
C[C@@H](/N=C1/C(=O)C(=O)[C@H]1/N=c1\cc[nH]c(Nc2ccncn2)c1)c1ccccc1,0.0
CCC[NH+](CCC)[C@@H]1CCc2cc(F)c3[nH]ccc3c2C1,0.0
Cn1cc([C@]2(O)CC[C@H]3[C@@H]4CCc5cc(O)ccc5[C@H]4CC[C@@]32C)nn1,0.0
N/C(=N\[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1,0.0
NC1=[NH+][C@H](c2cccnc2)Cc2ccsc21,0.0
Clc1ccc(-c2noc(-c3occc3Cl)n2)nc1,0.0
Cn1c[nH+]cc1[C@](O)(c1ccccc1)c1ccc2ccn(-c3cccc(Cl)c3)c2c1,0.0
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C(C)(C)C,0.0
O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3,0.0
CC(=O)C1=C([O-])C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O,0.0
C=C1C=C(C)CC(C)(C)[C@@H]1Cc1ccc2nonc2c1,0.0
NC(=[NH2+])c1cccc(Oc2nccc(Oc3cccc(C(N)=[NH2+])n3)n2)c1,0.0
C=Cc1cncc(-c2ccc([C@@H](C)C(=O)[O-])cc2)c1,0.0
COc1ccc(CCCO[C@H](Cn2cc[nH+]c2)c2ccc(OC)cc2)cc1,0.0
Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(Cl)cc12,0.0
[NH3+][C@@H](CS)CNc1ccc(-c2cccc(C3[NH+]=NN=[NH+]3)c2)cc1,0.0
O=P([O-])([O-])[C@H](Cn1cnc2c(Cl)ncnc21)[P@@](=O)([O-])O,0.0
O=Nc1c2n3cc(C(=O)[O-])[nH]c3c([O-])[nH+]c-2c2ccccc12,0.0
Oc1ccc(Cc2nnc3ccc(-c4ccco4)nn23)cc1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)c(OCCCN3CCOCC3)cc2n1CCO,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2ccccn2)n1,0.0
[NH3+]Cc1ccc(CNC(=O)CNC(=O)OCc2ccc(COC(=O)NCC(=O)NCc3ccc(C[NH3+])cc3)cc2)cc1,0.0
[NH2+]=C1Nc2ccccc2[C@H]2COC[C@@H]12,0.0
CC(C)=C1C[C@@](CO)(COC(=O)COc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
CCc1c(C(=O)C(N)=O)c2c(CC(=O)[O-])cccc2n1S(=O)(=O)c1ccccc1,0.0
CC(C)Nc1nccc(N(CCCC[NH3+])C(=O)c2ccc3c(c2)CCO3)n1,0.0
C/C(=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-])CC/C=C(\C)COC(=O)c1cccc(C(=O)c2ccccc2)c1,0.0
C[C@@H]1C[C@H]2O[C@@H]2/C=C\C=C\C(=N/O)Cc2c(Cl)c(O)cc(O)c2C(=O)O1,0.0
C/N=C1/CCc2c1n(C)c1ccc(OC(=O)N(C)C)c(Br)c21,0.0
CC1(C)O[C@H]2[C@@H]3OC4(CCCC4)O[C@@H]3CO[C@@]2(COS(N)(=O)=O)O1,0.0
COc1cc(F)c(-c2c(N)c(C(=O)c3ccc(F)cc3F)cc[n+]2[O-])c(F)c1,0.0
Cc1cc2c(F)c(Oc3ncnn4cc(OCC[C@H]5CC[N@H+](C)CC5)c(C)c34)ccc2[nH]1,0.0
Cc1cc(OCCNc2cc[nH+]cc2)cc(OS(=O)(=O)c2ccccc2[N+](=O)[O-])c1,0.0
O=C1CCC(=C2C[C@@H]3[C@H](C2)[C@@H]2C[C@H]3[C@H](O)C2)CC1,0.0
O=C1N=C(N[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)OC12CCCC2,0.0
CNc1ccc(Sc2nncn2C)cc1C(=O)Nc1nc(C)cs1,0.0
CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(OCn3cnnn3)ccc2c1,0.0
CCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(NC(=O)NCC[NH+]3CCCC3)cc2)c(=O)n1CC,0.0
Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1,0.0
FC(F)(F)Oc1ccc(NC(=S)c2cnoc2C2CC2)cc1,0.0
[NH3+]C1(Cc2cccc3ccccc23)CCN(c2ncnc3[nH]ccc23)CC1,0.0
O=C1/C(=N\O)c2c(/C=C/c3ccccc3)cccc2N1Cc1cc(F)cc2c1OCOC2,0.0
CN(c1ccc2ccccc2c1)c1ccc2[nH+]c(N)nc(N)c2n1,0.0
O=C1Nc2ccc(Cl)c3c2[C@@](C(F)(F)F)(C=C(c2cccnc2)O3)N1,0.0
Cc1ccc2c3c(ccc(N(C)Cc4ccnnc4)c13)NC2=[NH2+],0.0
c1cn(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)cn1,0.0
[NH3+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(Cl)s1)N2,0.0
[NH3+]CC#CCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
O=C(Nc1cccc(Br)c1)OCc1cn(-c2cc3nc(C(=O)[O-])c([O-])nc3cc2C(F)(F)F)cn1,0.0
NC(=[NH2+])NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F,0.0
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1,0.0
CCOCC[C@@]1(Oc2ccc(Oc3ccc(F)cc3)nc2)C(=O)NC(=O)N=C1[O-],0.0
CSc1ncc2cc(-c3ccccc3)c(-c3ccc(CNCCc4nnc(N)s4)cc3)nc2n1,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
CC[C@H](C(=O)N[C@@H](CC(=O)[O-])C(=O)CNCN1Cc2ccccc2C1)n1ccnc(NCc2nonc2C)c1=O,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(C(=O)N4CCS(=O)(=O)CC4)cc3)nc12,0.0
CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3[nH+][nH]c(N)c3c2)c(Cl)c1,0.0
COc1cccc([C@@H]2CCO[P@](=O)(COc3cc(C)c(C)c4c3-c3ncsc3C4)O2)c1,0.0
COC1=CC(=O)C([O-])=C(C[C@@]2(C)CC[C@]3(C)C(C)=CCC[C@H]3[C@H]2C)C1=O,0.0
O=S(=O)([O-])CCCSc1nc2ccccc2s1,0.0
CNC(=O)Oc1cccc2c1SC[C@H]1CC[N@H+](C)[C@H]21,0.0
O/N=C1\CCc2cc(-c3cn(C4CC[NH2+]CC4)nc3-c3ccncc3)ccc21,0.0
O=C(/N=c1/[nH]c2ccc(F)cc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
Clc1ccc([C@]2(Cn3cncn3)C[C@@H](Br)CO2)c(Cl)c1,0.0
CCN(CC)C(=O)[C@@H](NC(C)=O)[C@H]1C[C@@H](C(=O)[O-])C[C@@H]1[NH+]=C(N)N,0.0
CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)cc[nH+]c21,0.0
CC1(c2nnc3ccc(Sc4ccc(F)cc4F)cn23)CC1,0.0
CC[C@H]1Oc2c(ccc(O)c2C)-c2ccc(O)c(C)c21,0.0
COc1cc2ncn(-c3cc(OCc4ccoc4)c(C(N)=O)s3)c2cc1OC,0.0
CCC1=C[C@@H]2C[C@H](C1)Cc1[nH+]c3ccccc3c(N)c12,0.0
O=C1C=C(C(F)(F)F)[C@H]2C=C/C(=N\Cc3ccccc3)C[C@H]2N1,0.0
O=C([O-])C1CCN(C(=O)/C=C/c2ccc(Sc3ccc4c(c3)OCCO4)c3ccccc23)CC1,0.0
Cc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1,0.0
O=C[n+]1cccn1-c1cc2c(cc1Cl)[nH]c(=O)c1nc(C(=O)[O-])nn12,0.0
O=C1Cc2cc(Br)c(C3CCCCC3)cc2O1,0.0
C[C@@]1(Cn2[nH]c3cc(OCc4ccccc4)ccc3c2=O)NC(=O)NC1=O,0.0
Cc1cc(C[C@H]2C[NH2+]C[C@H]2NCC[NH2+]CCc2cccc(F)c2)cc(N)[nH+]1,0.0
c1cncc(-c2cnn3cc(-c4ccc(OCC[NH+]5CCCCC5)cc4)cnc23)c1,0.0
O=C(/C=C/[C@H]1CC[C@H](c2ccc(O)cc2)CC1)NO,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)C(F)(F)OC(F)(F)O3)cc1,0.0
N#C[C@@H]1C[C@H](F)CN1C(=O)C[NH2+][C@@H]1[C@@H]2CN(c3cccc[nH+]3)C[C@@H]21,0.0
CN(CC(=O)[O-])C(=S)CCc1nc2c(F)c(F)cc(F)c2s1,0.0
C[C@@H]1CN([C@@H]2C[C@H](CO)[C@@H](N=[N+]=[N-])C2)C(=O)NC1=O,0.0
O=C(NCc1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1)c1ccc(F)nc1,0.0
CC[C@H](c1cccc(NC(=O)CC[NH2+][C@@H]2C=Cc3ccccc32)c1)c1c([O-])oc2ccccc2c1=O,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21,0.0
NC1=NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1CSC3,0.0
CC(=O)N[C@H](Cc1ccc(N(C(=O)C(=O)[O-])c2ccccc2C(=O)[O-])c(CCO)c1)C(=O)NCc1ccc([N+](=O)[O-])cc1,0.0
N#Cc1ccc(Cn2c[nH+]cc2CN[C@@H]2CCN(c3ccncc3)C2=O)cc1,0.0
CCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)[nH+]c3C)c(=O)c2NC1=O,0.0
O=C(CNO)Cc1c[nH]c2ccc(Br)cc12,0.0
COC1=C(C=O)C(O)=C[C@H]2C(=O)c3ccccc3C(=O)[C@H]12,0.0
CC(C)C[C@@H]1n2cncc2CN(Cc2cccs2)S1(=O)=O,0.0
C[C@H]1C=C2C=C[C@H](C)[C@H](CC[C@@H]3C[C@@H](O)CC(=O)O3)[C@H]2[C@@H](OCc2ccc(F)cc2)C1,0.0
CC1(C)CCC(C)(C)c2cc([C@@H]3CCCc4oc(/C=C5/SC(=O)NC5=O)cc43)ccc21,0.0
O=C(CCC[N@@H+]1[C@@H]2CC[C@H]1C[C@@](O)(c1ccc(Cl)cc1)C2)c1ccc(F)cc1,0.0
CN(c1nccc(-c2cnc3ccccn23)n1)C1CCCCC1,0.0
CCc1cc(NCc2cc3ccccc3nc2OC)c(=O)[nH]c1C,0.0
NC(=[NH2+])CCCC[C@H]1C(=O)O[C@H]2Cc3ccc(-c4ccc(O)cc4)cc3[C@@H]21,0.0
C[C@@H]1CSC(=O)[C@@H]2Cc3ccccc3N2C1=O,0.0
CC(=O)c1cccc2c1S(=O)(=O)c1ccccc1O2,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4cnccn4)cc23)n1,0.0
O=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccc[nH]4)cc23)c1)Nc1ccccc1Oc1ccccc1,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(=O)CC,0.0
CC(C)[C@@H]1CN2C(=[NH+]1)N(C)C(=O)c1c2nn(C)c1Cc1ccccc1,0.0
CCn1c(-c2nonc2N)nc2cncc(OCC3CC[NH2+]CC3)c21,0.0
Cc1ccc(C)c(Nc2nccc(-c3nccs3)n2)c1,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ncc(F)cc32)c1C,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)OCCCC1CCCCC1)C1CCCCC1,0.0
CCOc1nc(NC(C)=O)cc(N)c1C#N,0.0
C#CCOc1ccc(C(=O)c2ccc(C(=O)NCCC[N@@H+]3C[C@H](O)[C@@H](O)[C@H](O)[C@H]3CO)cc2)cc1,0.0
C/C(=C\C=C\[C@@H](C)C(=O)[O-])[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-],0.0
Nc1nc2ccc(C(=O)c3c(F)cccc3Cl)cn2c1C(=O)c1c(F)cccc1F,0.0
Cc1cc(-c2cccc3[nH]ccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
C=CC[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)[nH+]cn3C[C@@]21C,0.0
Nc1cc(Cl)nc(SCC2=CCCc3ccccc32)n1,0.0
Cc1ccc(N2CN(C(C)(C)C)c3[nH]ncc3C2=[NH2+])cc1,0.0
O=C1c2cccn2[C@@]2(CC([O-])=NC2=O)C(=O)N1c1ccccc1,0.0
CCCn1nnc(-c2o[nH]c(=O)c2C[C@@H](N)C(=O)[O-])n1,0.0
O=C(O[C@H](CS)[C@@H](O)CS)c1csc([C@@H]2COc3ccccc3O2)n1,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(Oc3cccc(F)c3F)cc2)s[nH]c1=O,0.0
Cc1cc(NC(=O)Nc2ncc(CCNc3cc(Nc4ncn[nH]4)ncn3)s2)c(C(F)(F)F)o1,0.0
C#CCn1c(Cc2ccc(F)cc2)nc2sc3c(c2c1=O)CCCC3,0.0
O[C@@H]1[C@@H](O)[C@@H]2N/C(=N\c3ccccc3)O[C@@H]2[C@@H]1O,0.0
CC1=N[C@@H]2NC(N)=NC(=O)[C@@H]2[C-]1Sc1ccncc1,0.0
CCO[C@H](CCc1ccc(C(F)(F)F)cc1)CSc1ccc(OCC(=O)[O-])c(C)c1,0.0
C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CCS3(=O)=O)ncc1C(F)(F)F,0.0
O=C([O-])C(=O)/C=C(\O)c1ccc2ncc(C(=O)CC(=O)C(=O)[O-])c([O-])c2c1,0.0
Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,0.0
O=S(=O)(/C=C/c1ccccc1)Oc1ccc(Cl)cc1,0.0
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,0.0
Cc1ccc(-c2nc(CCCCCCO/N=C(/CCC(=O)[O-])c3ccccc3)c(C)o2)cc1,0.0
CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl,0.0
C[C@]12CC[C@H]3[C@@H](CC=C4[C@H]5CC=C[C@]43CC[C@@H]5O)[C@@H]1CC[C@@H]2O,0.0
O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C([N-]c1ccccc1Cl)N2,0.0
c1ccc2c3c([nH]c2c1)C1=[NH+]CCN1CC3,0.0
CCCN1CCO[C@@H]2c3cc4c(cc3CC[C@H]21)COC4=O,0.0
COC[C@H]1OC(=O)c2coc3c2[C@@]1(C)C1=C(C3=O)[C@@H]2CCC(=O)[C@@]2(C)C[C@H]1OC(C)=O,0.0
CONC(=O)c1cc(Nc2ncnn3cc(-c4noc(C)n4)c(C(C)C)c23)c(F)cc1F,0.0
O[C@H](CNc1ccccc1-c1ccccc1)CON=C(C1CC1)C1CC1,0.0
CC(=[NH2+])N1CC[C@@H](Oc2ccc([C@H](Cc3ccc4cc[n+](C(N)=[NH2+])cc4c3)C(=O)[O-])cc2)C1,0.0
NC1=[NH+][C@H](c2ccco2)Nc2c(F)ccc(F)c21,0.0
O=C(N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)c1cc(O)c(O)c(Cl)c1,0.0
O=C([O-])CN(C(=O)c1cccc(Cl)c1[S-])C1CCCC1,0.0
O=C1N=CC=C2C(S(=O)(=O)N3CCC[NH2+]CC3)=CC=C[C@@H]12,0.0
CNOC(=O)c1ccc(C)c(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
O=C([O-])CN1C(=O)S/C(=C/c2coc3ccc([N+](=O)[O-])cc3c2=O)C1=O,0.0
CCc1c(C)[nH]n(-c2nnn[n-]2)c1=O,0.0
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc4c(c3)ON[C@]4(O)C(F)(F)F)ccc21,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)[C@@H]2C[NH2+]CCN2)c[nH]1,0.0
Clc1cccc(Nc2ncnc3[nH]c4c(c23)CCCC4)c1,0.0
Cc1ccc2c(-c3ccccc3)nc(=O)n(C(C)C)c2c1,0.0
Cc1ccsc1C/[NH+]=C1/Cc2nc(N)[nH]c(=O)c2N1,0.0
Cc1cc(N2CCN(c3ncccn3)CC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N=C3[O-])o2)cc1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)[C@H](Sc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3,0.0
CCCCC[C@H](O)/C=C/[C@@H]1[C@H]2C/C(=C\CCCC(=O)[O-])C[C@H]2C[C@H]1O,0.0
OC[C@H]1O[C@H](n2cnc3c(NCC4c5ccccc5-c5ccccc54)ncnc32)[C@H](O)[C@@H]1O,0.0
Cc1[nH+]c2cccc(F)c2c(N)c1CS[C@]1(C(F)(F)F)CCCO1,0.0
CC[C@@]12CCC(=O)C(C(F)(F)F)=C1c1ccc3[nH]nc(F)c3c1C2,0.0
O/N=C/c1ccc(-c2ccc(O)c(F)c2)c2ccccc12,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1CN(S(=O)(=O)c2cccc(C)c2)CCN1,0.0
N#C[C@@H](c1ccccc1)[C@H](N)Sc1ccccc1N,0.0
CC[C@@H](C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](C(N)=O)(C3)C2)N1CCCC(F)(F)C1,0.0
Cc1cc(C)c2c(c1)Oc1ccc(N)cc1C(=O)N2C,0.0
CC1(C)CC(=O)C2=C(C1)NC(=S)N[C@H]2c1cccc(O)c1,0.0
COc1cc2c(cc1Cl)C(c1ccc(Cl)c(Cl)c1)=[NH+]CC2,0.0
CC1(C)[C@@H]2CC[C@@]1(CS(=O)(=O)N=C(N)N)C(=O)C2,0.0
O[C@](c1ccnc(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F,0.0
COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2onc(C(=O)[O-])c2CO)c1,0.0
O=C([O-])CCc1cc([O-])c2n(c1=O)[C@@H](C(=O)[O-])CC2,0.0
C[N@H+](CCOCCNC(=S)NC(=O)c1ccc2c(c1)-c1ccccc1C2=O)Cc1ccccc1,0.0
c1ccc(NCc2ccc(CNc3cccc[nH+]3)cc2)nc1,0.0
C[C@H](NC1=NC(=O)[C@](C)(C2(O)CCCC2)S1)c1ccc(F)cc1,0.0
Cn1nnc2ccc(-c3ccccc3Cl)c(C[NH3+])c21,0.0
OCCN1CC[NH+](CCCN2c3ccccc3Sc3ccc(C(F)(F)F)cc32)CC1,0.0
CC(=O)O[C@]1(C(C)=O)CC[C@H]2[C@H]3C=C(Cl)C4=CC(=O)[C@@H]5C[C@@H]5[C@]4(C)[C@@H]3CC[C@@]21C,0.0
O[C@H]1CC[C@H](Nc2nccc(-c3c[nH]nc3[C@@H]3CCCOC3)n2)CC1,0.0
O=C1NCCn2cc(/C(=N/O)c3ccccc3)c3cccc1c32,0.0
O=c1[nH]cnc2c([C@@H]3N[C@H](CSc4ccccc4)[C@@H](O)[C@H]3O)c[nH]c12,0.0
CCN(CC)C(=O)[C@@H]1C=C2c3cccc4[nH]cc(c34)C[C@H]2N(C)C1,0.0
COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(N3CCCCC3=O)cc2)cc1,0.0
CC[C@@H]1CCC[C@H](C2(Cc3ncco3)CC2)N1S(=O)(=O)c1ccc(Cl)cc1,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F,0.0
O=C(N[C@H]1CCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2-c2nnn[n-]2)c(O)c1)c1ccc(O)cc1,0.0
CCCC[C@H](CC(=O)NO)[S@](=O)c1ccc2ccccc2c1,0.0
CC(C)c1c(C(=O)N[C@H](CO)c2ccccc2)c2c(n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-])CCCC2,0.0
CC#CCOc1ccc(S(=O)(=O)N(C)c2c(C(=O)N[O-])cnc3onc(C)c23)cc1,0.0
NS(=O)(=O)c1nnc(NC(=O)CCNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)s1,0.0
O=C1N=C([N-]c2ccccc2F)S[C@@H]1C1CCCCC1,0.0
c1csc(-c2n[nH]cc2-c2ccnc3ccccc23)c1,0.0
Cc1cc(Nc2cc(N3CC[NH+](C)CC3)nc(/C=C/c3ccccc3)n2)[nH]n1,0.0
CC1=C[C@@H]2Cc3[nH]c(=O)ccc3[C@@]3(C1)[NH2+]CCC[C@H]23,0.0
NC(=[NH2+])NCCC[C@@H](NC(=O)CNC(=O)[C@@H](Cc1ccccc1)NS(=O)(=O)Cc1ccccc1)C(=O)c1nccs1,0.0
NC(=O)c1sc2c([N+](=O)[O-])cc(SC(F)(F)F)cc2[n+]1[O-],0.0
NC(=O)c1cccc(NCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H]([NH3+])C2)c1,0.0
CCc1cc([C@@]2(c3cccc(-c4cncnc4)c3)[NH+]=C(N)N(C)C2=O)ccn1,0.0
CN1C(=O)CC(c2ccc(NC(=O)c3nc(C#N)c[n-]3)c(C3=CCCCC3)c2)CC1=O,0.0
[H]/N=C(\C)c1cccc(C[NH2+]Cc2ccc(NC(C)=[NH2+])cc2)c1,0.0
CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCC[N@H+]1CCNC(=O)CC1)c1ccccc1,0.0
C1=Cc2cccnc2N(C2CC2)c2ncccc21,0.0
O=S(=O)([N-]c1ccncc1Sc1ccccc1)C(F)(F)F,0.0
Cc1csc(-c2nc(N)nc3c2nnn3Cc2ccccc2F)n1,0.0
Oc1cc(-c2[nH]c(-c3ccccc3)nc2-c2ccnnc2)ccc1Cl,0.0
CCOC(=O)c1cn2c3c(nc([O-])c2n1)-c1ccccc1C3,0.0
O=C([O-])Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12,0.0
CC(C)[C@]12O[C@H]1[C@@H]1O[C@]13[C@]1(O[C@H]1C[C@H]1C4=C(CC[C@@]13C)C(=O)OC4)[C@@H]2O,0.0
CC[C@H](c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1)[C@H]1C(=O)O[C@@H]2CCCC[C@@H]2C1=O,0.0
Cc1oc(C)c(S(=O)(=O)Nc2cccs2)c1C(=O)[O-],0.0
c1ccc(Oc2ccc(N3CC[NH2+]CC3)cc2)cc1,0.0
O=C1N[C@H](Cc2ccccc2)[C@H](O)[C@@H](CCc2ccccc2)N1Cc1ccc2[nH]ncc2c1,0.0
CC(C)=CCC/C(C)=C/CC/C(C)=C/CC1=CC[C@@H](C2=CC(=O)O[C@@H]2O)O[C@@H]1O,0.0
CC(C)C[N@H+]1CC[C@H](Nc2cccc3cnccc23)CC1,0.0
C[C@H](Cc1ccc(Oc2no[n+]([O-])c2S(=O)(=O)c2ccccc2)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1,0.0
O=c1c2sc3ccccc3c2oc2cc(O)cc(O)c12,0.0
COc1c(C(=O)OC(F)(F)F)ccc2oc(=O)c3c(ccc4[nH]c(=O)cc(C)c43)c12,0.0
CCCC[C@H]1CN(C(=O)c2cccc(C)c2C)CCN1C[C@@H]([NH3+])CS,0.0
C[C@@](c1ccc(F)cc1F)(c1c[nH]c2c([N-]S(C)(=O)=O)cccc12)C1CC1,0.0
O=C1[C@@H]2[C@H](C(=O)N1c1ccc([N+](=O)[O-])c3ccccc13)[C@H]1C=C[C@@H]2CCC1,0.0
O=P([O-])([O-])C([NH+]1CCCCCC1)P(=O)([O-])[O-],0.0
CC(C)(C)Oc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
O=C([O-])CN1C(=O)[C@@H]([NH2+][C@H](CCc2ccccc2)C(=O)[O-])C[S@](=O)c2ccccc21,0.0
OCCCCC1=Nc2ccccc2-c2ncnc3[nH]cc1c23,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3sccc3c2)cc1,0.0
CNC(=[NH2+])c1cc(C)c2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c2c1,0.0
O=C1ON=C(c2ccccc2)/C1=C/c1ccco1,0.0
Cn1c2c(c3cc(O)ccc31)CSc1ccc(F)cc1-2,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
c1ccc(Cc2ccc(OCCn3cccc4ncnc3-4)cc2)cc1,0.0
O=C1NCCc2c1ccc1[nH]cc(CCNCc3cn[nH]c3)c21,0.0
Nc1ncc(Cc2cccc(O[C@@H]3CCCCO3)c2)c(N)n1,0.0
Nc1nc(N)c2c(ncc3c2ccn3Cc2ccc(Cl)cc2Cl)n1,0.0
Cc1cccc(Cl)c1Nc1nc2cc3c(cc2n2cncc12)OCO3,0.0
Oc1ccc2c(c1)CC[C-]1Oc3cc(O)ccc3N=C21,0.0
Cc1ccccc1CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2,0.0
COC(=O)CN1CC[C@@H](n2cc(-c3cccc(O)c3)c3c(N)ncnc32)C1,0.0
C[N@H+]1CC[C@H](/C=C/C=C2\Cc3ccccc3C2=O)CC1,0.0
Cc1nc(C)c(-c2ccc3[nH]nc(N)c3c2)s1,0.0
COc1ccc2[nH]c3c(c2c1)[C@H]1CC[N@H+](C1)[C@@H]3C(=O)[O-],0.0
CS(=O)(=O)N[C@H](Cc1ccc([C@@H]2CC([O-])=NS2(=O)=O)cc1)c1nc2ccccc2[nH]1,0.0
CNC(=O)c1cc(Oc2ccc3oc(Nc4ccc(Cl)c(OC[C@@H]5CCC[N@@H+]5C)c4)nc3c2)ccn1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3cn4c(n3)sc3ccccc34)cc2)no1,0.0
CC(C)(C)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[n-]2)cc1,0.0
O=C(COc1cnnn1-c1ccccc1)c1ccccc1,0.0
O=C(C1CCN(c2cc[nH+]cc2)CC1)N1CC[C@@H](CNS(=O)(=O)/C=C/c2ccc(Cl)s2)C1,0.0
Cc1ccc(S(=O)(=O)N(CC2CC2)[C@@H](CCCCNC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
Fc1cccc2c1nc(OCCNC(=S)Nc1ccc(Br)c[nH+]1)c1cccn12,0.0
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@H]2CNc3[nH+]c(N)nc(N)c3C2)o1)C(=O)[O-],0.0
COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC,0.0
Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CO[C@H](C1)O2,0.0
[NH3+][C@H]1CN(C(=O)c2cnc3ccccc3c2)C[C@H]1C(=O)N1CCCC1,0.0
O=C(Oc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
NS(=O)(=O)c1ccc(Nc2nc(N3CCOCC3)nc3[nH]cnc23)cc1,0.0
CCCN(CC1CC1)C(=O)c1cc(Cl)cc(OCCCON=C(N)N)c1,0.0
CCCCc1cccc(CCC2=C(O)C(=O)C=C([O-])C2=O)c1,0.0
Nc1nc(NC(=O)c2ccccc2OC(F)(F)F)c([N+](=O)[O-])c(-c2ccco2)n1,0.0
CN1C(=[NH2+])N[C@@](c2cccc(NC(=O)c3cccn3C)c2)(C2CCCCC2)C1=O,0.0
CCCCCCn1cc2c3c(cccc31)N(C)[C@@H](C(C)C)C(=O)N[C@H](CO)CC2,0.0
c1ccc(-c2cc(-c3ccccc3)n3c2CCC3)cc1,0.0
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1,0.0
O=S(=O)(c1ccc([O-])nn1)c1cccc2ccccc12,0.0
Nc1nccc2c1ncn2CC=C(CO)CO,0.0
NC(=[NH2+])c1cc2c(O[C@@H](CO)c3ccccc3)cccc2s1,0.0
NC(=O)c1[nH]c2ccc(Cl)cc2c1[S@@](=O)c1ccccc1,0.0
O=C(N1CCC[C@]2(CCc3ccccc32)C1)C1(c2ccc(Cl)cc2)CC1,0.0
O=C1Cc2c(ccc3c2O[C@H](C[NH2+]Cc2ccccc2)CC3)N1,0.0
Cc1cc(F)ccc1-c1cc(N(C(N)=O)c2c(Cl)cccc2Cl)ccc1CO,0.0
Nc1nc(F)nc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O,0.0
C=CC(=O)Nc1ccc2ncnc(Cc3ccc(F)c(Cl)c3)c2n1,0.0
Cc1ccccc1-c1c(CC(=O)N(Cc2ccncc2)C(C)C)c2ccccc2n1C,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@H]2C3)C1,0.0
CC(C)c1onc(-c2ccc(F)cc2)c1-c1ccnc(NC2CCOCC2)c1,0.0
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)[O-])ccc2cc[nH]c12,0.0
O=C(NCc1cc(C[C@@H]2C=CC=C[C@@H]2Cl)cs1)[C@H](O)[C@@H](O)C(=O)N1CCC[C@@H]1c1cccc(Cl)c1,0.0
Cn1c(-n2nccn2)nc2c(N)nc(CCc3ccccc3)nc21,0.0
CC(C)[NH2+][C@@H]1CCn2c(=O)[nH]c3cccc(c32)[C@H]1O,0.0
O=C1C[C@H]2OCC3=C(C(=O)c4ccccc4C3=O)[C@H]2O1,0.0
[NH3+][C@H](CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
O=C([O-])c1ccc2c(c1)C(=O)N(CCc1ccc(O)cc1)C2=O,0.0
C=C(Br)COc1ccc2c(oc(=O)c3ccccc32)c1C,0.0
NC(N)=NC(=O)Cn1c(-c2ccccc2)ccc1-c1ccc(NC(=O)c2cccc(Br)c2)cc1,0.0
O=C1C(=O)N(Cc2ccc(F)nc2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0.0
CC(=O)Nc1cccc2c1C(=O)c1c(-c3ccncc3)n[nH]c1-2,0.0
O=C(CO)Nc1c[nH]nc1C(=O)Nc1ccc(F)cc1,0.0
O=C(Nc1cccnc1)N1CCN([C@@H]2c3ccc(Cl)cc3CCc3cc(Br)cnc32)CC1,0.0
CCc1c(Sc2ccccc2)n(COCCc2ccccc2)c(=O)[nH]c1=O,0.0
O=c1[nH]c2cnc(-n3cnc4ccc(Cl)cc43)nc2n1C1CCOCC1,0.0
COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3[NH3+])n3cnnc3c2C(N)=O)cc(OC)c1,0.0
Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccn[nH+]2)s1,0.0
OC[C@H]1[NH2+]C[C@@H](O)[C@@H]1O,0.0
Cc1ccc(-n2cncn2)c(CNC(=O)CN2C=C[NH+]=C(NCC(F)(F)c3ccccn3)C2)c1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1cc[nH+]c(NCCCn2cc[nH+]c2)c1,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)[C@](C)(C(F)(F)F)O2,0.0
CCN(Cc1cc2nc(-c3ccccn3)[nH]c2cc1Oc1ccc(S(=O)(=O)CC)cc1)C(C)=O,0.0
NC(=[NH2+])c1ccc(O)c(CN2CC[C@H](NS(=O)(=O)c3cc4c(Cl)nccc4s3)C2=O)c1,0.0
C=CCOc1cc(Cl)cc(Cl)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1,0.0
O=C(Nc1nccs1)c1ccc2cc3n(c2c1)C[C@@H](CO)CNC3=O,0.0
O=C1CN(c2cc(-c3ccc[nH]3)ccc2O)S(=O)(=O)N1,0.0
C[C@]12CCC(=O)C[C@@H]1CC[C@@H]1[C@@H]2CC[C@@]2(C)[C@H]1CC[C@@]21CCCO1,0.0
C1=[N+](CCc2c[nH]c3ncccc23)CC[C@@H](c2ccccc2)C1,0.0
COc1c2c(c(O)c3c1NCCN3)C(=O)N(Cc1ccc(F)cc1)C2,0.0
CC(C)CC[C@]1(c2ccccc2)CC(=O)C(SCc2ccccc2)=C([O-])O1,0.0
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@H](C(=O)N2CCCC2)C[NH2+]1,0.0
CC(C)C1=NN[C@H]2C=CC(CCc3ccc(F)cc3F)=CN12,0.0
C=C1C(=O)O[C@@H]2C[C@@]3(C)C=CC(=O)C(=C)[C@@H]3C[C@H]12,0.0
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1,0.0
COc1cc(C(=O)/C=C/c2cc(O)c(O)c([N+](=O)[O-])c2)cc(OC)c1OC,0.0
C[C@@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12,0.0
C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O,0.0
CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C/c1ccccc1O,0.0
COc1ccc(C2=Cc3ccccc3C2)c(OC)c1OC,0.0
Cc1[nH]c2cc(S(C)(=O)=O)ccc2c1Sc1ccc(F)cc1,0.0
Cc1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O,0.0
Cn1c(C(F)(F)c2nc3c(F)cc(F)cc3[nH]2)nc2ccc(C(=O)N[C@@H](O)COc3ccc(F)cc3)cc21,0.0
c1ccc2c(c1)N[C@H]1CCCC[C@H]1/C2=N/CCCCCCCC[NH2+][C@@H]1CC[NH2+][C@H]2CCCC[C@@H]21,0.0
C[C@]12CCC(=O)C=C1CCC[C@@H]2[C@@H](O)c1csc2ccccc12,0.0
CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cccc2c1OCC2,0.0
O=C(CCCC[C@@H]1CCSCS1)Nc1ccc2c(c1)CO[C@@H](C(=O)[O-])C2,0.0
NS(=O)(=O)Oc1ccc2c(c1)S(=O)(=O)C(CC1CCCCCC1)=C2,0.0
O=C(Cn1cnc(NC(=O)c2ccc(Cl)s2)n1)Nc1ccc(-n2ccccc2=O)cc1F,0.0
C[C@]1([O-])C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1,0.0
Cc1ccc(C(=O)N2CCc3c(cc(Cl)c(C(=O)N[C@@H](CNC(=O)c4cccs4)C(=O)[O-])c3Cl)C2)cc1,0.0
O=C1[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1cccc(C(F)(F)F)c1,0.0
C[C@@H](Nc1ncc(C#N)c(N2CCc3ccccc3C2)n1)c1ccccc1,0.0
CC(C)=CC(=O)C[C@@H]1C(=O)O[C@H]2CCC[C@H]21,0.0
COc1ccc2c(c1)CCN1C(=O)[C@H]3CCC[C@@H]([C@H]21)N3S(=O)(=O)Nc1ccc(F)c(F)c1,0.0
CC[C@H]([NH3+])C(=O)N[C@@H]1C(=O)N2[C@@H](CC[C@@H]1CC#N)CC[C@H]2C(=O)NC(c1ccccc1)c1ccccc1,0.0
Cc1cccc(N(C)c2ncnc3n[nH]cc23)c1,0.0
FC(F)(F)c1nc2c(OCC[NH2+]Cc3ccccc3)cccc2[nH]1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(N2CCOCC2)c(C(F)(F)F)c1,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/C(=C(c1ccc(F)cc1)c1ccc(F)cc1)n1cnnn1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)N1CCN(C(=O)CCCCCc2cccc3ccccc23)CC1,0.0
O=C1SCCC(=O)N2[C@@H]3CCCC[C@@H]3C[C@@H]12,0.0
NC(=S)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1,0.0
CC(C)(Oc1ccc(Cl)cc1)C(=O)N[C@]12CC[C@](C(N)=O)(CC1)CC2,0.0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(Br)cc1,0.0
NC(=O)[C@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1cccc(O)c1,0.0
CCCCCN1C(=O)CN(C)c2ncc(-c3ccc(F)c(F)c3)cc21,0.0
C=CCOc1ccc([C@]2(C)CCN([C@H](C)C(=O)NO)C2=O)cc1,0.0
C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,0.0
Cc1cc(Nc2cc[nH+]c(Nc3cccc(-c4nc5ccccc5s4)c3)n2)n[nH]1,0.0
Nc1nc2c(C[C@@H]3CCC[C@@H](C(F)(F)F)C3)c[nH]c2c(=O)[nH]1,0.0
C=CC(=O)/C(C#N)=C(\[O-])Nc1ccc(C(F)(F)F)cc1,0.0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cccnc2c1C(=O)[O-],0.0
CCCOc1cc2c(cc1C(=C1CC1)c1ccc(C(=O)[O-])cn1)C(C)(C)CCC2(C)C,0.0
O=C[C@H](CC(=O)[O-])NC(=O)c1cc(CNS(=O)(=O)c2ccc(O)c(C(=O)[O-])c2)on1,0.0
O=C(CN1Cc2c(cccc2C(F)(F)F)NC1=O)NO,0.0
CC[N@H+]1CC[C@H](n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1,0.0
O=c1[nH]c2ccc(N3C[C@H]4C[C@@H]3C[NH2+]4)nc2c2ccccc12,0.0
O=C([O-])C(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1,0.0
[NH3+][C@H]1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)C2,0.0
O=C(c1c[nH]cn1)N(Cc1cc(=O)[nH]c2c(F)cccc12)c1cccc(Cl)c1,0.0
O=c1[nH]c2c(n3ccnc13)[C@]1(CC[NH2+]C1)c1ccccc1-2,0.0
CN1C(=O)/C(=C/c2ccc(/C=C/C(=O)NCC[NH+](C)C)s2)Oc2ccccc21,0.0
C=CCc1cccc(/C=N/NC(=O)CN2CC[NH+](Cc3ccccc3)CC2)c1O,0.0
COC(=O)N[C@H](CC1CCN(C(N)=[NH2+])CC1)C(=O)NCC(=O)N[C@H]1CCCN(C(N)=[NH2+])[C@@H]1O,0.0
NS(=O)(=O)c1ccc(CCNC(=O)CCCNc2ccn([O-])c(=O)n2)cc1,0.0
[NH3+]C[C@H]1CC[C@H](CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,0.0
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,0.0
O=C1OCC(c2ccc(-c3nnn[n-]3)cc2)=C1c1ccccc1,0.0
C[C@]1(C(=O)Nc2nncs2)C[C@]2(C)c3ccccc3[C@H]1c1ccccc12,0.0
CCc1cc(-c2n[nH]c(C)c2-c2ccc3c(c2)OCCO3)c(O)cc1O,0.0
C[n+]1c2c(c3n1C(=O)NCC3)c(=O)c1cc(Cl)ccc1n2[O-],0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OC1CCCCC1,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(-c4ccccc4)c3c2)c1,0.0
O=C(Cc1ccccc1)NC(=S)Nc1ccc(Oc2ccnc3cc(-c4cccnc4)sc23)c(F)c1,0.0
CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc3c(c2)OCO3)n1,0.0
O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)Cc2ccc(Cl)cc2)N1,0.0
O=[N+]([O-])c1ccc([O-])c(/C=N/[NH+]=C(\[S-])[CH-]c2ccccc2)c1,0.0
CCO[P@](=O)(/C=C/c1ccccc1)N1Cc2ccccc2C[C@@H]1C(=O)NO,0.0
Cc1ccc2c(c1)/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)N2,0.0
OC[C@H]1O[C@@]2(CC(c3ccc4ccccc4c3)=NO2)[C@H](O)[C@@H](O)[C@@H]1O,0.0
Cc1cccc2ccc(-c3sc(N)nc3-c3ccccn3)nc12,0.0
O=S(=O)(c1cccc(N(Cc2c[nH]c[nH+]2)Cc2c[nH]c[nH+]2)c1)N1CCCc2ccccc21,0.0
CS(=O)(=O)N(c1ccc(-c2cnc3ccc4ccncc4c3c2)cc1)S(C)(=O)=O,0.0
CC1=C(C(=O)OC(C)C)[C@@H](c2ccccc2Cl)C(C(=O)[O-])=C(C(=O)[O-])N1CC(F)(F)F,0.0
COc1cc2c(cc1OC)Nc1nc[nH]c(=O)c1C2,0.0
O=C(N[C@@H](Cc1ccccc1)[C@H](O)C[NH2+]Cc1cccc(C(F)(F)F)c1)c1cccc(N(c2cccnc2)[SH](=O)=O)c1,0.0
COC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1,0.0
O=C([O-])C[C@H](c1cnc[nH]1)[N@H+](CCCCc1ccccc1)Cc1ccc(Oc2ccccc2)cc1,0.0
CN1CC[NH+](CCCCNc2cc3c(cn2)cc(-c2c(Cl)cccc2Cl)c(=O)n3C)CC1,0.0
Clc1c[nH]c2ncnc(N3CCc4[nH+]c[nH]c4C3)c12,0.0
CN(C(=O)c1cc2ccccc2n1C)c1ccccc1,0.0
COc1ccccc1/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-],0.0
O=C1C=CC(=O)N1c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1,0.0
COc1cc(N2CCN(C(C)C)CC2)ccc1Nc1nc(Nc2ccsc2C(N)=O)c2cc[nH]c2[nH+]1,0.0
CCOC(=O)N[C@@H](CCCC[NH3+])C(=O)c1noc(Cc2ccc(C(=O)NCCc3cccc(Cl)c3)cc2)n1,0.0
O=C(NCCCCCCC(=O)c1ncco1)c1cc2ccccc2[nH]1,0.0
C[C@H](Oc1ccc2ncc([C@@H]3C[C@@H]3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl,0.0
Cc1cc(Nc2cccc(C)c2C)cc(SCC(=O)[O-])c1,0.0
C=C1C[C@@H](c2ccc(NC(N)=[NH2+])cc2)CC(=O)O1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(NCCN3CCOCC3)ncc2c1,0.0
COc1cccc(-c2nc(Cc3ccc(C)c(C)c3)n[nH]2)c1,0.0
CCn1ncc2c(Cl)c(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)cnc21,0.0
NS(=O)(=O)c1ccc(NC(=S)N[C@@H](C(=O)[O-])[C@H](O)c2ccccc2)cc1,0.0
[O-]c1ccc(Cc2cc(Oc3cccc(Cl)c3)c3occc3c2)nn1,0.0
C#C[C@]1(O)CC[C@H]2[C@H]3[C@H](CC[C@@]21C)C1=C(CC(=O)CC1)C[C@]3(C)Cl,0.0
Cc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12,0.0
CCCCCCCCCCCCCCCc1cc(O[C@@H]2O[C@H](CO)[C@@H](O)[C@H](O)[C@H]2O)cc(O)c1C(=O)[O-],0.0
CC(C)C[C@H](NC(=O)CCOc1ccccc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C(NC[C@@H]1CCCO1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C([O-])[C@@H]1CCCN(c2ccccc2Sc2ccc([C@@H]3C[C@@H]3C(=O)NCCCN3CCCC3=O)c(Cl)c2Cl)C1,0.0
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@H]4CCC[NH2+]4)c3O)nc2cc1F,0.0
COc1ccc(-c2cc(=S)c3ccccc3o2)cc1,0.0
Cc1ccccc1-c1cc([C@@H](OCc2cccc3cccnc23)c2c[nH+]cn2C)ccc1C#N,0.0
O=C(CNCc1ccccc1)Nc1cc2cc[nH]c(=O)c2cc1Cl,0.0
COC(=O)COc1cc2c(c3c1c(C(=O)C(N)=O)c(C)n3Cc1cccc(F)c1)CCC2,0.0
O=C(Nc1c(F)c(F)nc(F)c1F)c1cc2ccccc2oc1=O,0.0
CCCC[C@@]1(OC(C)=O)CC[N@@H+]2C[C@H](c3ccccc3)CC[C@H]2C1,0.0
O=CCn1oc(=O)c(-c2ccc(F)cc2)c1-c1ccnc(Oc2ccccc2)n1,0.0
O=C1NC(=O)c2c1c1c3ccccc3ccc1c1[nH]c3ccccc3c21,0.0
N/C(=N\c1ccc2nc(N)sc2c1)c1cccs1,0.0
CCCN(c1ccncc1F)n1cc(C)c2cc(OC(=O)NC)ccc21,0.0
O[C@H]1[C@H](O)[C@@H](O)C[N@H+]2CC[C@@H](O)[C@@H]12,0.0
Cc1cc(Br)cc(S(=O)(=O)c2cccc(N)c2C#N)c1,0.0
O=C([O-])[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)C1(S)CCCC1)CC3,0.0
NC(=[NH2+])c1ccc2cc([C@H]3C[C@H]3c3ccccc3)cc(-c3ccoc3)c2c1,0.0
Cc1cc2c(nn1)-c1cc(OCCCC(F)(F)F)ccc1C2=O,0.0
CN(C(=O)CCN1Cc2cc(C(=O)c3ccccc3)ccc2N=C1N)C1CCCCC1,0.0
O=C(OCCCc1ccccc1)[C@@H]1[C@@H]2CC[C@@H](C2)N1S(=O)(=O)c1ccccc1,0.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCc2ccc(Cl)cc2)cc1,0.0
O=C(c1cccc2[nH]ccc12)N1CCc2c(cnn2-c2ccccc2Cl)C1,0.0
NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC,0.0
Nc1cccc(Cn2c(-c3ccc(Oc4ccccn4)cc3)ccc2-c2ccccc2Cl)n1,0.0
COc1ccc(C2=NNC(=O)/C2=N\Nc2cccnc2)cc1,0.0
COc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)noc12,0.0
CCC[N@@H+]1CCC[C@H]2c3cccc(OS(=O)(=O)C(F)(F)F)c3CC[C@@H]21,0.0
CC(C)(C)c1nc2c3cc[nH]c(=O)c3c3cc(F)ccc3c2[nH]1,0.0
COC(=O)c1cc2ccc(O)c(O)c2cn1,0.0
CCc1cccc2c3c([nH]c12)[C@](CC)(CC(=O)[O-])OCC3,0.0
Cc1cccc(-c2[nH]c(Cc3cccc(C#N)c3)nc2-c2ccc3ncccc3c2)n1,0.0
O=c1[nH]c2c(n3cc(P(=O)([O-])[O-])nc13)Cc1c(Cc3nnn[n-]3)cccc1-2,0.0
Cc1cccc2c(=O)[nH]c(-c3ccc([N+](=O)[O-])cc3)nc12,0.0
C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1,0.0
C[C@@H]([C@H]1CC[C@H](c2cccnc2)CC1)[C@H]([NH3+])C(=O)N1CCC(F)(F)C1,0.0
[H]/N=C1\NC[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=[NH2+])N1,0.0
N#Cc1ccc(COCc2cncn2Cc2ccc(C#N)cc2-c2cccc3ccccc23)cc1,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(NC3CCOCC3)c2)c1Br,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCCc2nnn[n-]2)C(C)C)ccc1OC,0.0
CCCc1nc(-c2cccnc2)cn2c(CC(=O)N[C@H](CC3CCCCC3)C(=O)C(F)(F)C(=O)NCC)nnc12,0.0
[NH3+]CCCn1ccc2c(-c3ccnc(Nc4cccc(OC(F)(F)C(F)F)c4)n3)cccc21,0.0
O=C(Nc1ncc(Cl)s1)N(CC1CCCC1)c1ccc(Br)c(F)c1,0.0
CCc1c(CC(N)=O)c2cc(OCCC[P@@](=O)([O-])O)ccc2n1Cc1cccc(Cl)c1,0.0
Cc1cncc2cccc(S(=O)(=O)CN3CCC[NH2+]C[C@H]3C)c12,0.0
CCN(O)CCc1ccc2c(c1)[C@@H](O)c1ccccc1CO2,0.0
N#Cc1c(N)nc(-c2ccccc2)nc1-c1ccccc1,0.0
CC(C)=CCOc1cc(NC(=S)c2ccoc2C)ccc1Cl,0.0
COc1cc(CCC[C@H]2OC(=O)NC2=O)ccc1OCc1nc(-c2ccco2)oc1C,0.0
CCCCC[C@H](NC(=O)NO)C(=O)N[C@@H](C(=O)N1CCC[C@H]1CO)C(C)C,0.0
CCOC(=O)CN1C(=O)N(CCCc2c[nH+]cn2C)C(=O)[C@@]1(C)c1cccc2ccccc12,0.0
O=C(Nc1ccccc1N1C=CC=CC=C1)c1ccc([N+](=O)[O-])o1,0.0
C[C@@]12CC[C@H](CSc3nnn[n-]3)C[C@]1(C)C[C@@H](C(=O)[O-])[NH2+]C2,0.0
C[NH+]1CCN(c2cccc(CNC(=O)c3cc(C(=O)c4ccccc4F)c[nH]3)c2)CC1,0.0
CCC(=O)[C@@]1(C)CC[C@H]2[C@@H]3CCC4=CC(=O)CCC4=C3CC[C@@]21C,0.0
CC(C)CNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,0.0
Nc1[nH+]cc(-c2cccnc2)c2scc(-c3ccc(F)c(Cl)c3)c12,0.0
CCc1cc(-c2cccc(N)n2)c(OC)cc1C[NH+](C)C,0.0
O=C(c1cc(Cc2ccccc2)ccn1)c1ccc2cccnc2c1O,0.0
CC1(C)CC(=O)c2ccc(-c3cccc(Cl)c3)cc21,0.0
O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
O=C(NO)c1ccc(CN2c3ccccc3NC(=O)[C@H]2Cc2cccs2)cc1,0.0
C=CC[C@H](OC)[C@H](NC(C)=O)[C@@H]1[NH2+][C@@H](C(=O)[O-])C[C@H]1/C=C\C,0.0
CSCC[C@H](NC(=O)c1ccc(C[NH2+]Cc2ccco2)cc1-c1ccccc1)C(=O)[O-],0.0
CC(C)c1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1,0.0
NS(=O)(=O)c1nc2ccc(OCCONC(=O)c3cccc(C(=O)[O-])n3)cc2s1,0.0
Cc1c(C)n(C[C@H]2C[C@@H]2C)c2c(OCc3ccc(F)cc3)nncc12,0.0
COC(=O)C1=C(Cn2ccnc2)NC(C)=C(C#N)[C@H]1c1ccc(F)cc1Cl,0.0
CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(C)=O,0.0
NC1=[NH+][C@H](Cc2ccccc2)CCC1,0.0
O=CN(O)C[C@@H](CC1CC1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
Cc1cc(N)[nH+]c(CCNC(=O)c2ccc(C#N)cc2)c1,0.0
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1,0.0
Cc1cccc(-c2nn3c(c2-c2ccc(O)cc2)CCC3)n1,0.0
Cc1c(C)c2ccc(OCc3csc(C(C)C)n3)cc2oc1=O,0.0
Cc1c(C[NH2+]C2c3ccccc3-c3ccccc32)cnc2[nH+]c(N)nc(N)c12,0.0
COc1cc(OC)cc(-c2cc3cnc(N)nc3n(C)c2=O)c1,0.0
O=C1Nc2ccccc2N(CCC2CC2)[C@@]1(C#CC1CC1)C(F)(F)F,0.0
O=C1NCCc2ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c21,0.0
CCSC[C@@H]1C[C@@](O)(c2ccccc2)C[C@H](C)O1,0.0
C/C=C(\C)CC(=C/C(=O)[O-])/C=C(C)/C=C1\CCCC(CC)=C1C(C)C,0.0
[NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1cccc[n+]1[O-])NCC(=O)OC1CCCCC1,0.0
CC1(C)C[NH+]=C2C(=O)c3cc([N-]S(=O)(=O)c4ccccc4F)ccc3N2C1,0.0
Cc1cc(Nc2nc(O[C@@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1,0.0
CCCc1nc(C)c2c(=O)[nH]c(-c3ccccc3OCC)nn12,0.0
CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]cnc3-c3ccc(F)cc3)cc21,0.0
Nc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,0.0
FC(F)(F)c1ccccc1-c1cccc(-c2c[nH]cn2)c1,0.0
CCCC[N@@H+]1CCC2=C(CCc3ccccc32)C1,0.0
CN1C(C(=O)Nc2ccccn2)=C([O-])c2ccccc2S1(=O)=O,0.0
CCOC(=O)c1cc2c(N)c3c(nc2nc1C)CCCC3,0.0
c1ccc(C[N@H+]2CC[C@H](CCCc3noc4ccccc34)CC2)cc1,0.0
Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(/C=C/C(=O)NO)cc1,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cn(Cc3ccc(F)cc3)nn2)c1)NO,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)[C@@H]1CCC[NH2+]1,0.0
C[C@@H](Nc1cc2c(-c3cc(Cl)cc(CCC(N)=O)c3)noc2cn1)c1ccccc1,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4S(=O)(=O)c4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCCCCCCCCCCCCCC(=O)c1ccc2c(-c3ccc(OCC(=O)[O-])cc3)nocc1-2,0.0
N#Cc1ccc(N)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCc4cccnc4)cc32)cn1,0.0
Cc1nn(-c2cccc(N)c2)c2oc3ccccc3c(=O)c12,0.0
C[C@H](CS)C(=O)N(CC(=O)[O-])c1ccc2c(c1)CCC2,0.0
NS(=O)(=O)c1cc([C@@]2(O)NC(=O)c3ccccc32)ccc1Cl,0.0
Nc1nc(N)c2c([nH+]1)CC[C@@H](CN1CCc3ccccc31)C2,0.0
O=c1[nH]c2cc(C[NH+]3CCCCCC3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
CC(C)OC(=O)c1ccccc1CSc1c([O-])cc(-c2ccccc2)oc1=O,0.0
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(Cc2ccc(N(C)C)cc2)[C@@H](CC(C)C)C1=O,0.0
CNC(=O)c1ccc(C(OCCCCCCn2cc(C)c(=O)[nH]c2=O)(c2ccccc2)c2ccccc2)cc1,0.0
COc1ccc(CS(=O)(=O)[C@@](C)(Cc2ccccc2)C(=O)NO)cc1,0.0
Nc1[nH+]cccc1NCc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1ccccc1,0.0
Cc1cc(Cl)cc(CCCOc2ccc(Cl)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
NC(N)=NC(=O)c1nc(-c2ccoc2)c(NCCCc2ccccc2)nc1N,0.0
O=C(C[C@H]1Sc2ccccc2N(CC2CCCCC2)C1=O)NO,0.0
CCCCCCc1ccc(N/C=N/O)cc1,0.0
Oc1ccc([C@H]2Oc3ccc(O)cc3[C@H]3CCCCC[C@H]32)cc1,0.0
CC(C)(C)c1cccc(-c2ccncc2)c1,0.0
C(=C/c1ccc(Cc2ccccc2)cc1)\C[NH+]1CCCC1,0.0
O=Cc1cc(O)c(O)c(C=O)c1,0.0
O=C(c1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1)N1CCOCC1,0.0
Cc1cccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,0.0
O=c1c2cc(-n3cnnc3)c(Cl)cc2nc([O-])n1[O-],0.0
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2oc3ccccc3c12,0.0
Cc1c(C(=O)CS(=O)(=O)c2ccccc2)sc2ccccc12,0.0
O=C(N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)N1CCC[C@@H](c2ccccc2)C1,0.0
Cc1cc2ncc(C(=O)N3CCC([C@H]([NH3+])Cc4cc(F)c(F)cc4F)CC3)c(C)n2n1,0.0
O=c1c2c(CO)cc(O)cc2ncn1-c1ccc(O)cc1,0.0
COC(=O)c1ccc(/N=C2\SNC(=O)[C@H]2C(=[NH2+])NCC2CCCCC2)cc1,0.0
CCn1c2ccccc2c2cc(/C=N\OCCO/N=C/c3ccc(O)c(O)c3)ccc21,0.0
N#Cc1ccc(Cn2cncn2)cc1-c1ccc(OS(N)(=O)=O)c(Cl)c1,0.0
Nc1ncnc2cc(CN3CCN(S(=O)(=O)c4nc5cc(Cl)ccc5[nH]4)CC3=O)ccc12,0.0
CN1CCOC[C@H]1c1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)n1C,0.0
CCN(C(=O)C[N@@H+]1CCc2conc2CC1)C1CCCCC1,0.0
COCCOc1cc2ncnc(Nc3cc(O)c(Cl)cc3F)c2cc1OC,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1,0.0
C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O,0.0
COC[C@H](C)Nc1ccnc(-n2cnc3ccc(C#N)cc32)n1,0.0
O=C1N[C@@H](C(=O)NO)C[C@H]1c1ccc(Oc2ccc(F)cc2)cc1,0.0
Cc1cc(/C=C/c2cccc3ccccc23)cc(C)c1O,0.0
CCO[C@@H](Cc1cccc(C2=NO[C@@H](c3ccccc3)C2)c1)C(=O)[O-],0.0
c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)co1,0.0
CC1(C)CCOc2ccc(C(=O)Oc3ccc(/C=N/NC(N)=S)cc3)cc21,0.0
O=C(Nc1cc(F)ccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
c1ccc2c(-c3nc4cc(-n5ccnc5)ccc4[nH]3)n[nH]c2c1,0.0
O=S(=O)(Cc1ccccc1)N1CCN(c2ncccc2C(F)(F)F)CC1,0.0
O=C(Cc1ccc(O)c(O)c1)O[C@@H](C(=O)[O-])[C@@H](OC(=O)Cc1ccc(O)c(O)c1)C(=O)[O-],0.0
O=C(c1ccc(Oc2ccccc2)cc1)c1cn(Cc2c[nH]cn2)cc1-c1cccc2ccccc12,0.0
Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1,0.0
CN1C(=O)c2nc(CC3CCCCC3)[nH]c2N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
O=C([O-])[C@@H]1CCCC[C@@H]1c1[nH]nc([S-])[nH+]1,0.0
[NH3+][C@@H](C(=O)N1CCC[C@H]1C(=O)c1nccs1)C1CCCCC1,0.0
CC[NH+](CC)c1cccc(COc2c(Br)cc(CCC(=O)[O-])cc2Br)c1,0.0
Cc1ccc(C(=O)Nc2ccon2)cc1Nc1ncnc2c1cnn2-c1ccccc1,0.0
O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1,0.0
c1cncc(-c2ccc(C[NH2+]Cc3ccc(-c4cccnc4)s3)s2)c1,0.0
Nc1cc(F)ccc1Nc1ccc2c(c1)OCc1ccccc1C2=O,0.0
COc1cccc(S(=O)(=O)[N-]c2cccn(CC(=O)NCc3nc(C(N)=[NH2+])cs3)c2=O)c1,0.0
Cc1nc2ccc(P(=O)([O-])[O-])cc2s1,0.0
C[C@]12CC[C@@H](OS(N)(=O)=O)CC1=C[C@@H](O)[C@@H]1[C@H]2CC[C@]2(C)C(=O)CC[C@@H]12,0.0
CC[C@H](c1ccc(-c2ccc(O)c(Cl)c2)cc1)n1cc[nH+]c1,0.0
O=C(NCc1ccccc1OC(F)(F)F)N1CCC(Oc2cc[nH+]cc2)CC1,0.0
Nc1nnc(SC[C@@H]([NH3+])CCC(=O)Nc2ccc(Oc3ccccc3)cc2)s1,0.0
Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C2=O)cc1,0.0
O=C1NC(=O)[C@]2(CCOc3c2cc(Cl)c2ccccc32)N1,0.0
O=C([O-])c1ccc(Oc2ccc3c(c2)C[C@@H]([NH2+]C[C@H](O)c2cccc(Cl)c2)CC3)s1,0.0
N#CCCN(C(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12)C1CC1,0.0
O=C1c2ccccc2-n2c1nc1ccccc1c2=O,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)NC2CCCCC2)[C@@H]1C(=O)[O-],0.0
CC1CCN(C(=O)c2cccc(Oc3ccccc3Cl)n2)CC1,0.0
Fc1ccc(-c2ncn(CCCSc3ccccc3)c2-c2ccncc2)cc1,0.0
CCCC1(CCC)CC(=O)[C@H]([C@H](c2ccccc2)C2CCCC2)C(=O)O1,0.0
O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
O=C(NO)[C@H](CCn1nnc2ccccc2c1=O)COc1ccc(-c2ccc(Cl)cc2)cc1,0.0
Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc(C(=O)N(CCC(=O)[O-])C(=O)[O-])cc1,0.0
Cc1cnsc1COc1ccc(S(=O)(=O)N2C[C@H](O)CC(C)(C)[C@@H]2C(=O)NO)cc1,0.0
[NH3+]C[C@@H](c1ccccc1)c1cncc(/C=C/c2ccncc2)c1,0.0
CC[NH+](CC)CCCNc1nccc2c(C)c3[nH]c4ncccc4c3cc12,0.0
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCOc3cccc4ccc(C)nc34)cc2)NC(=O)N1,0.0
Cc1ccc(NC(=O)c2cccc(C(C)(C)C#N)c2)cc1C(=O)Nc1cncc(Cl)c1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc5nonc45)c3n2)CC1,0.0
CNc1nccc([C@H](C#N)c2nc3ccccc3s2)n1,0.0
Nc1nc(Oc2ccccc2)nc2nc(-c3ccco3)nn12,0.0
O=C(CCCCc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],0.0
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NO,0.0
CS(=O)(=O)c1ccc(C2=C(Oc3ccccc3)C(=O)CC2)cc1,0.0
Nc1nc([O-])c2[nH]cc(Cc3cccnc3)c2n1,0.0
O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4coc5ccccc45)cc3)cc2)cc1O,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N(C)CC(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
NS(=O)(=O)c1ccc(NNCc2cc(=O)oc3cc(Cl)ccc23)cc1,0.0
O=C([O-])CN(C(=O)CF)C(=O)[C@H]1CCN1C(=O)OCc1ccccc1,0.0
CCCCc1ccc(S(=O)(=O)Nc2ccc3c(c2)CCN(Cc2cc[nH]n2)CC3)cc1,0.0
CCCCCCCCCC(=O)N[C@@H](C[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O)[C@H](O)c1ccccc1,0.0
COc1cc(OC)c2c(c1)OC[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C2,0.0
O=C([O-])c1ccccc1N/N=C/c1ccc(-c2ccccc2Cl)o1,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccc4c(c3)CC[NH2+]C4)ccc2c1,0.0
C[C@]12CCc3c(sc4cc(O)ccc34)[C@@H]1CC[C@@H]2O,0.0
O=c1[nH]c(N2CCC(c3cccc(Cl)c3)CC2)c(Cc2ccccc2)c(=O)[nH]1,0.0
O=C(CC(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[n-]n1,0.0
O=C1N[C@H](c2ccc(O)cc2F)c2c[nH]c3nccc(c23)-c2ccccc21,0.0
O=C([C@@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1,0.0
O=C(Nc1ccccc1Br)c1nc2ccccc2n2cncc12,0.0
CCC[C@@H]([NH3+])c1ccc2sc(-c3ccnc(N)n3)c(C)c2c1,0.0
NS(=O)(=O)c1ccc(-c2nc(NCc3ccco3)cc(C(F)(F)F)n2)cc1,0.0
Cc1nc2ccc(C)c(Sc3cccnc3)c2c(=O)[nH]1,0.0
COc1ccc2c(c1)C(=O)N(C[C@@]1(c3cnn(C)c3)NC(=O)NC1=O)C2,0.0
Cc1cc(Oc2ccnc(Nc3cccc(N4CCOCC4)c3)c2)c(-c2ccccn2)nc1C,0.0
CCC[C@H]1CN(Cc2ccc(CN3C(=[NH2+])N[C@@](CCC4CCCCC4)(CC4CCCCC4)C3=O)cc2)C(=O)N1,0.0
O=C1NCc2cccc(-c3cc4cc(OCCC[N@H+]5CC[C@H](O)CC5)ccc4[nH]3)c21,0.0
Cn1c(-c2ccccc2)nnc1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
NC(=[NH2+])c1ccc(CC(=O)C(=O)[O-])c(OCCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1,0.0
CCCc1cc(C2CCOCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
CC[NH+]1CCN(Cc2ccc(NC(=O)Nc3ccc(Oc4cc(NC)ncn4)cc3)cc2C(F)(F)F)CC1,0.0
Cc1nc2ccc(CN(CCF)c3cnc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1,0.0
CC[C@@H](C)NC(=O)c1cc(N)cc(-c2cnc(NC(C)C)c(=O)n2CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1,0.0
Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1,0.0
[O-]c1c(O)ccc2c1ncn2-c1ccccc1,0.0
[H]/N=C1\N=C([O-])[C@@H]2C[C@@H](CCc3ccc(C(=O)N[C@H](CCC(=O)O)C(=O)[O-])cc3)C[NH2+][C@@H]2N1,0.0
N#Cc1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
CCCCNc1[nH+]ccc2[nH]c3ccccc3c12,0.0
O=C(Nc1ccccc1)c1c(Nc2ccccc2)[nH]c(=O)[nH]c1=O,0.0
Cc1ccc(NNC(=O)c2ccc(Cl)cc2)cc1,0.0
Cc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,0.0
c1ccc(-c2cnc(Nc3cc(C[NH+]4CCCC4)ccn3)s2)cc1,0.0
Cc1ccc(OC[C@@H](O)[C@H](C)[NH2+]C(C)C)c2c1CCC2,0.0
CCC[C@H]1O[C@H](CC(=O)[O-])CC2=C1C(=O)c1c(O)cccc1C2=O,0.0
FC(F)(F)c1cccc(-c2noc(-c3sccc3Cl)n2)c1,0.0
CC(C)(C(=O)N1CCC2(CCCCC2)C1)c1ccccc1,0.0
[O-]c1nc2cc(C3CCCCC3)nn2c2ccccc12,0.0
O=C(C[NH+]1CCCCC1)N1CCc2[nH]c(=O)c3ccccc3c2C1,0.0
C[C@@]1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(C(F)(F)F)=NN1,0.0
C[N@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]1,0.0
Brc1cccc(Nc2nc[nH+]c3cc4c(cc23)CN4)c1,0.0
O=C([O-])c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1,0.0
C[C@](Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)(c1ccccc1)n1nnc2ccccc21,0.0
O=[N+]([O-])c1ccccc1CCn1ccc2ncccc21,0.0
COc1cnc2c(NCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1,0.0
Cc1ccc(Cl)c(Nc2ccccc2C(=O)NCCOc2ccccc2)c1Cl,0.0
CC(C)(C)n1nc(-c2cccc3ccccc23)c2c(N)ncnc21,0.0
O=C(CCCC(=O)OCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(Cl)c(Cl)c1,0.0
CCc1oc2ccccc2c1C(=O)c1cc(Br)c([O-])c(Br)c1,0.0
Nc1ncnc2c1ncn2Cc1cc(OCC2CCCCC2)cc(O)c1O,0.0
O=C1Cc2cc(Nc3ncc(Br)c(NCc4ccccn4)n3)ccc2N1,0.0
[NH3+][C@@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccccc2)C1,0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc(-c2ccccc2)cc1,0.0
OC[C@H]1O[C@@H](n2cnc3c2N=CCC[C@H]3O)C[C@H]1O,0.0
O=S(=O)(NCC[NH2+]C/C=C/c1ccc(Br)cc1)c1cccc2cnccc12,0.0
Cc1ccc2c(c1)O[C@H](c1ccccc1)CC2=O,0.0
O=C(c1ccccc1)c1cnc2[nH]ncc2c1OC1CCCCC1,0.0
O=C(Nc1n[nH]c2cc(-c3ccco3)ccc12)C1CC1,0.0
Cc1[nH]c2ccc(OC(F)(F)F)cc2c1Cc1cccc(O[C@@H](C)C(=O)[O-])c1,0.0
CCCCOc1ccc(-n2cncc2C)cc1,0.0
CONC(=O)c1cn(-c2ccc3c(c2)CCC3)c2nc(NCc3ccccc3)ncc2c1=O,0.0
Cc1cc(-c2c(C3=CCCCCC3)c3cc(Cl)ccc3[nH]c2=O)on1,0.0
CC1(C)C[C@@H]2C[C@@](C)(CN2C(=O)c2cc(Cl)c(N)c(Cl)c2)C1,0.0
O=C(C[N@@H+]1CC[C@H](C(F)(F)F)C1)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2,0.0
CC(C)[C@]1(C)OC(N[C@@H](C)c2ccccc2C(F)(F)F)=NC1=O,0.0
C[NH+]1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CCCCC5)c4n3)cc2)CC1,0.0
COC(=O)C1=CC(CO)=COc2oc3cccc(O)c3c(=O)c21,0.0
CCCCCCCCCCCC[S@+](C)C[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=C1C=C2CCc3cc(O)ccc3[C@]2(Cc2ccccc2)CC1,0.0
O=C(/C=C(/[O-])c1nnn[n-]1)c1c[nH]c2ccc(Cl)cc12,0.0
O=C([O-])c1cc(/C=C/c2ccc3ccc(C(=O)[O-])c([O-])c3n2)ccc1O,0.0
Cc1c([C@H](C)c2c(F)cccc2F)nc(SC(C)C)[nH]c1=O,0.0
Cc1c2ccncc2c(C)c2c1[nH]c1ccc(O)cc12,0.0
COc1ccc2sc3c(c2c1)CCCNC3=O,0.0
O=C(NCCc1ccccc1)c1ccc(-c2cc(-c3cc4c([nH]3)CCNC4=O)ccn2)cc1,0.0
O=C1C(Cl)=C(N2C(=O)CCC2=O)C(=O)c2ccccc21,0.0
Cn1cc(C(=O)NOCC2CC2)c(Nc2ccc(Br)cc2F)c(F)c1=O,0.0
c1ccc(-c2sc(-c3ccccc3)c3ccccc23)cc1,0.0
Cc1onc(-c2c(Cl)cccc2Cl)c1C(=O)OCCOc1ccc(C(F)(F)F)cc1[N+](=O)[O-],0.0
C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl,0.0
O=C([O-])C1=C(C(=O)Nc2ccc(OCc3c(F)cccc3Cl)c(Cl)c2)COC1,0.0
C/C(=C/C=C/C(C)=C/C(=O)[O-])c1cc(-c2cccc(F)c2)cc(C(C)C)c1OCC(F)F,0.0
Cc1cccc(-c2nc(CNc3ccc(C(N)=O)cc3)[nH]c2C2=CC=C3OCO[C@H]3C2)n1,0.0
Cc1cc(NC(=O)CC(=O)[O-])cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)CC2CCC2)c1,0.0
O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1,0.0
COCCn1cc(C(=O)N2CCC(c3cccc(C[NH3+])c3)CC2)c2cccc(C)c21,0.0
CC(C)C1=NCCc2ccc(NC(=O)c3cc(Nc4ncccn4)c4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
COc1ccc2ccc(C(N)=[NH2+])cc2c1-c1cnn(S(C)(=O)=O)c1,0.0
C[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(Br)cc2)c(-c2ccccc2)s1,0.0
CO/N=C/c1c(N)ncnc1Nc1ccc2c(ccn2Cc2cccc(F)c2)c1,0.0
Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
COC(=O)[C@]1(c2cccc(OCCc3cccc4ccccc34)c2)C[C@H]1C(=O)NO,0.0
O=C([O-])Cn1ccc2cc(OCc3cc(-c4ccc(C(F)(F)F)cc4)on3)ccc21,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCC4CCCCC4)cc3)c2)nc1,0.0
C[C@H](O)[C@@H](/[NH+]=C1\C([O-])=CC(=O)C(O)=C1C[C@@H]1CCC[C@H]2CCCC[C@@H]21)C(=O)[O-],0.0
CCSc1nsc(NC(=O)Nc2cccc(C(C)=O)c2)n1,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3ccco3)cc2)nc2ccccc21,0.0
O=C1c2ccccc2[C@]2(c3cccc4ccccc34)SCCN12,0.0
Nc1nc2c(cnn2CCCCCCC(F)(F)P(=O)([O-])[O-])c(=O)[nH]1,0.0
CCCCc1nc(Cl)c(CO)n1Cc1ccc(-c2ccccc2-c2nnn[n-]2)cc1,0.0
CCc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1,0.0
Oc1ccc(-c2ccc3c(c2)CCC[C@@H]3c2ccncc2)cc1O,0.0
NS(=O)(=O)[N-]c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cn1,0.0
CCCOc1ccccc1-c1nc([O-])c2cncnc2n1,0.0
COC(=O)[C@H](c1ccc2ccccc2c1)[C@H]1CCCC[NH2+]1,0.0
O=c1[nH]c2cc(Cl)c(Cl)cc2cc1P(=O)([O-])[O-],0.0
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,0.0
COC(=O)CN1C(=O)c2c(C)nc3ccc(Br)cc3c2C1=O,0.0
CC(=O)CSc1nc([O-])c(C(C)C)c(Cc2cccc3ccccc23)n1,0.0
N/C(=N\c1cccc(C[NH3+])c1)c1ccccn1,0.0
Nc1c2c([nH+]c3cc(Cl)cc(Cl)c13)CCCC2,0.0
O=C([O-])c1c[nH]c(-c2ccccc2)n1,0.0
CC(=O)Nc1ccc(C(=O)[O-])cc1NC(N)=[NH2+],0.0
O=C1N=C([O-])C(n2ccc3ccccc32)=C1n1ccc2ccccc21,0.0
CC/C(=C\c1cc(O)cc(O)c1)c1ccc2ccccc2c1,0.0
O=CNc1cc([C@@H](O)C[NH2+]CCc2ccc(OC3Cc4ccccc4C3)cc2)ccc1O,0.0
CCOC(=O)[C@H](CCc1cccc(C(N)=[NH2+])c1)Cn1cnc2cc(C(N)=[NH2+])ccc21,0.0
O=c1[nH]c(Nc2cccc([C@@H](Cl)C(F)(F)Cl)c2)nc2[nH]cnc12,0.0
COC[C@@H]1CN(c2ccc(OCC[C@H](O)C(F)(F)F)cc2)C(=O)O1,0.0
N[C@@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1,0.0
C[C@@H]1CCN(C(=O)CC#N)C[C@@H]1N(C)c1ncnc2[nH]ccc12,0.0
Nc1[nH][nH+]c2cccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12,0.0
CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)C(=O)OC4)n2)c1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
Cc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1,0.0
O=C(N[C@@H]1CCc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1,0.0
CC1(C)C(=O)CC[C@]2(C)[C@@]3(C)c4[nH]c5ccccc5c4C[C@@H]3CC[C@@]12O,0.0
C[N@@H+]1[C@@H]2CC[C@H]1C[C@@H](OC(=O)[C@H](CO)c1ccccc1)C2,0.0
O=C1COc2cc(CN3CCN(c4ccccc4)CC3)ccc2N1,0.0
CCCC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@@H]1c1c[nH]c2ccccc12,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1c(CN3CCOCC3)cccc1C2=O,0.0
Cn1nc(S(N)(=O)=O)s/c1=N/C(=O)c1c(F)c(F)cc(F)c1F,0.0
COc1cc(C2=C(c3c[nH]c4ccccc34)C(=O)NC2=O)cc(OC)c1OC,0.0
Nc1ccc(-c2cccs2)cc1NC(=O)c1cccnc1,0.0
CCN(c1nc2ccccc2c(=O)o1)S(=O)(=O)c1ccc(Cl)cc1,0.0
O=C([O-])CC1c2cc(F)ccc2-c2ccc(F)cc21,0.0
CCCn1ccc(=O)c2c(N)nc(-c3ccccc3)cc21,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1,0.0
Cc1cc(O)ccc1-c1nc2cc(O)cc(Br)c2o1,0.0
O=C([O-])CCCCn1c2ccccc2c2ccccc21,0.0
CCCN1C=C(c2ccc(Nc3nc(Nc4ccccc4C(N)=O)c4cc[nH]c4n3)c(F)c2)CCC1,0.0
Nc1ccc(SC[C@@H]2CO[C@](CCc3ccc(Cl)cc3)(Cn3ccnc3)O2)cc1,0.0
Cn1cc(-c2cnc(N)c(NCc3c(Cl)cccc3Cl)n2)cn1,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccccc1)C(C)(C)C,0.0
c1ccc(CNc2ncnc3c2sc2ccccc23)cc1,0.0
CCN1C[C@@H](c2ccc(O)cc2)Cc2ccc(O)cc21,0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc([C@@H](O)C(=O)[O-])c1,0.0
C[C@@H]1CCC[NH+]=C1N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=c1[nH]c(=O)n([C@H]2C[C@@H](CO)[C@H](O)C2)cc1/C=C/Br,0.0
C[C@@H](Nc1nccc(-n2cnc3ccccc32)n1)[C@@H]1CCCN(C(=O)Oc2ccccc2)C1,0.0
Cn1ccnc1Sc1ccc(Nc2c(C#N)cnc3cc(/C=C/C[NH+]4CCCC4)ccc23)cc1Cl,0.0
Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1cc2cc[nH]c2c[nH+]1,0.0
C[C@@H]1c2ccccc2C[C@@H]1C(=O)NCCCCCCC(=O)NO,0.0
NC(=O)c1cccc2c1C(=O)N(c1cccc(C[NH+]3CCCC3)c1)C2,0.0
C[NH+]1CCN(Cc2cccc(Nc3nccc(-c4ccc([N-]S(C)(=O)=O)cc4)n3)c2)CC1,0.0
CSc1nc(-c2ccc3ccccc3c2)nn1C(=O)N(C)C,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Br)c3[O-])cc2c1,0.0
CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)[O-],0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4F)c12)CCCCC3,0.0
CN(Cc1cccnc1)c1ccc(NC(=O)C2CC2)c(C(=O)[O-])c1,0.0
Nc1onc(-c2ccc(Cl)cc2)c1C(=O)[O-],0.0
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\O,0.0
COc1cc(O)c2c(c1)CCC[C@@H](O)[C@H](O)C(=O)/C=C\C[C@H](C)OC2=O,0.0
O=C(Cc1csc(NC(=O)c2cccc(SC(F)(F)F)c2)n1)NO,0.0
CCCCNC(=O)c1cc(N)c2c(c1N)C(=O)c1ccccc1C2=O,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
Cc1c2ccc(N(C)c3cc[nH+]c(Nc4cccc(S(N)(=O)=O)c4)n3)cc2nn1Cc1ccccc1,0.0
Cc1[nH+]c(N)nc(N)c1NC(=O)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
C#Cc1cc(O[C@H]2CCOC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H]1CCC[C@@H](C(=O)[O-])C1)NO,0.0
O=C1N=C([O-])CCN1N1C(=O)c2ccccc2C1=O,0.0
Nc1nc2nc(NCc3ccccc3)[nH]c2c(=O)[nH]1,0.0
CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,0.0
CNC(=O)Oc1cccc(C[N@H+](C)CCCCCCCCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0.0
C[NH+](C)CC(=O)NCc1c(C[N@H+](C)[C@H]2CCCc3cccnc32)ncc2ccccc12,0.0
Nc1nc(N)c2c3c(sc2n1)CN(Cc1ccccc1)CC3,0.0
CCCCCCCCCCCCC/C=C1\C(=O)O[C@@H](CO)[C@@H]1OC(C)=O,0.0
CC[C@@H]1COc2c(ccc3[nH]c(=O)cc(C(F)(F)F)c23)N1CC(F)(F)F,0.0
O=c1c2cc(O)c(O)cc2c2cc(O)c(O)cc2n1Cc1ccc([N+](=O)[O-])cc1,0.0
CCCCCCOc1cc(Cl)c(C(=O)CC[NH+](C)C)c(Cl)c1,0.0
Nc1c2c([nH+]c3cc(Cl)ccc13)[C@H]1CC[C@@H]2C1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@]3(C)C(=O)NC(=O)N=C3[O-])cc2)c2ccccc2n1,0.0
CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1,0.0
Cc1cc(C)[n+](CCc2ccc(S(N)(=O)=O)cc2)c(C)c1C,0.0
COc1ccc(-c2c(C)n[nH]c2-c2cc(Br)c(O)cc2O)cc1,0.0
O[C@@H](C[NH2+]CCOc1ccc(-c2csc(-c3ccncc3)n2)cc1)c1cccnc1,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c21,0.0
COc1cc2nccc(Oc3ccc(NC(=O)NC(=O)C[NH+]4CCCCC4)nc3)c2cc1OC,0.0
CCCCCCc1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)c(O)c1,0.0
Cc1cc(Cl)c(OCCCc2ccc(C[C@H](C[NH3+])C(=O)N(Cc3cccc(Cl)c3Cl)C3CC3)cc2)c(Cl)c1,0.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2c1Nc1ccccc1,0.0
CCCCCCCCCCCC(=O)Oc1ccc2c(c1)[C@](C)(C(C)C)[C@H]1C(=O)N[C@H](CO)[C@@H]21,0.0
CC1(C)CCC(C)(C)c2cc(Cc3coc(/C=C/C(=O)[O-])c3)ccc21,0.0
CN1CC[C@@]2(C)c3cc(OC(=O)NCCCCCCCCN4CCOCC4)ccc3N(C)[C@@H]12,0.0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@]12CN(c1nc3cc(C(=O)[O-])ccc3o1)C[C@H]2c1ccc(C#N)cc1,0.0
CCCNc1nccc(-c2c(-c3ccc(F)cc3)[nH+]c3n2[C@H](CO)CC3)n1,0.0
O=C([O-])[C@@H](O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1,0.0
Cc1cc(C#N)sc1-c1ccc2c(c1)[C@@H](C)CC(C)(C)N2,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC3)cc2C1=O,0.0
O=P([O-])([O-])[C@](O)(CC[NH2+]CCCOc1ccccc1)[P@@](=O)([O-])O,0.0
CC(C)(CNC(=O)c1ccccc1)C(=O)OC(=O)C(C)(C)CNC(=O)c1ccccc1,0.0
Cc1[nH]c([N+](=O)[O-])c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1,0.0
CC1(C)Cc2c(n(C[C@H]([NH3+])C(=O)[O-])c(=O)[nH]c2=O)C1,0.0
O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,0.0
CCSC(=[NH2+])Nc1ccc(OCc2ccccc2)cc1,0.0
COc1ccc(CNc2n[nH+]c(N3CCC(O)CC3)c3ccc(C#N)cc23)cc1Cl,0.0
Cc1ccc(NC(=O)CCc2ccccc2)c(=O)n1CC(=O)NCC1CCN(C(N)=[NH2+])CC1,0.0
CC(=O)[C@H]1CC[C@H]2[C@@H]3CCC4=CC(=O)C=C[C@]4(C)[C@H]3CC[C@]12C,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1Cl,0.0
CCOc1ccc(Cl)c([C@@H]2C[C@@H]2NC(=O)Nc2cc(Cl)cnn2)c1F,0.0
O=C(NO)c1ccc(-c2ccn(CC[NH2+]Cc3ccc4c(c3)OCO4)n2)s1,0.0
c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1,0.0
C1=CCc2c(-c3ccccc3)[nH]c(-c3ccccc3)c2C1,0.0
O=c1[nH]cnc2c1ncn2CC[C@@H]1C[C@H]1C(F)(F)P(=O)([O-])[O-],0.0
CCn1nnc(-c2ccc3c(=O)c4cc(O)ccc4oc3c2)n1,0.0
COc1ccc(C(=O)Oc2cccc3c(O)cccc23)cc1,0.0
Nc1nc(N)c2c(CSc3cccc4ccccc34)coc2[nH+]1,0.0
O=C(CCSc1nc(Cc2ccccc2)cc(=O)[nH]1)NO,0.0
NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1,0.0
COCCC(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1,0.0
O=C(Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F)c1ccsc1C(=O)[O-],0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C[NH2+]CCCc4ccccc4)c3)cc21,0.0
COC(=O)c1cn2ncnc(-c3c(O)[nH]c4cc(F)ccc34)c2c1C,0.0
O=C(COc1ccccc1)N[C@H](Cc1c[nH]c[nH+]1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CSC1CCCCC1,0.0
Cc1cc(=O)[nH]c2ccc3c(c12)COc1cccc(CO)c1-3,0.0
CC(C)c1c(O)ccc2cnc(Nc3ccccc3)nc12,0.0
Oc1ccc(-c2nn(Cc3ccccc3)c3c(Cl)cccc23)cc1,0.0
Oc1ccc(-c2coc3cc(O)cc(O)c3c2=S)cc1,0.0
O=P([O-])([O-])[C@](O)([C@H]1CCc2ccncc21)[P@@](=O)([O-])O,0.0
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cccs1,0.0
NC1=CC=C2SN=C3c4ccccc4C(=O)[C@H]1[C@@H]23,0.0
Cc1cc(CCc2ccc(F)cc2)cc(C)c1O,0.0
Cc1onc(-c2ccc(Cl)o2)c1-c1ccccc1,0.0
CCOC(=O)CC1=C(c2ccccc2)c2ccc(OC)cc2C1=O,0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccoc3)cc1CC2,0.0
C[N@@H+]1CCC[C@@H]1CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc12,0.0
C[NH+](C)CCNC(=O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
c1ccc(N2CCO[C@H]3c4cccc5[nH]cc(c45)C[C@H]32)cc1,0.0
Nc1[nH]c([O-])c(C2=C3C(=Nc4ccccc43)C(=O)NCC2)[nH+]1,0.0
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21,0.0
CC(=O)N1CC[C@H]1C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
O=C1Cc2ccc3c(c2O1)CCc1ccccc1C3=O,0.0
CCn1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(C)c1C(=O)NCc1cnc(C)cn1,0.0
N#Cc1c[nH]c(C(=O)Nc2ccccc2N2CCCCC2)c1,0.0
CNC(=O)C[N@H+]1CC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1,0.0
C[C@H](CS)C(=O)N1Cc2[nH]c3ccccc3c2C[C@@H]1C(=O)[O-],0.0
Cc1c[nH]nc1-c1ccc(-c2cn(C)nc2-c2ccncc2)cc1,0.0
COC(=O)c1sc(-c2cccs2)cc1NC(=O)/C=C/C(=O)[O-],0.0
O=C([O-])C(=O)CC(=O)c1cccn1Cc1ccc(F)cc1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1,0.0
Cc1ccccc1-c1ccc2c(C)cc(Oc3ccc(C(N)=[NH2+])cc3)nc2c1,0.0
CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(N)=[NH2+])ccc2O)c(NC(=O)C(=O)[O-])c1,0.0
O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1,0.0
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2CCN2C(=O)[C@@H]([NH2+]CC(=O)[O-])C2CCCCC2)cc1,0.0
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2[nH+]1,0.0
FC(F)(F)c1ccc2c(c1)[nH]c1ccccc12,0.0
C[NH+]1CCN(c2ccc(C(=O)Nc3n[nH]c4c3CN(C(=O)Cc3cccs3)C4)cc2)CC1,0.0
[N-]=[N+]=[NH+][C@H]1CC[C@H]([NH+]=[N+]=[N-])c2cc(C(=O)CC(=O)C(=O)[O-])ccc21,0.0
NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cn1,0.0
O=C(NCCCN1CCOCC1)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
NS(=O)(=O)c1ccc(C/[NH+]=C/c2coc3ccccc3c2=O)cc1,0.0
NS(=O)(=O)Nc1cccc(C(=O)c2ccccc2)c1,0.0
Cc1cc(N)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1,0.0
O=C(CCn1nnnc1-c1ccc2c(c1)OCO2)c1ccccc1,0.0
CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
NC(=O)Nc1ccc(-c2ccc([C@@]3(C(F)(F)F)N=[NH+]3)cc2)cc1,0.0
[NH2+]=C(Nc1cccc(C[NH3+])c1)c1ccco1,0.0
O=C1c2cccc3cccc(c23)C(=O)N1C[C@H]1CC[N@H+](C[C@H](O)COc2cccc3[nH]c4ccccc4c23)CC1,0.0
O=C1c2ccccc2-c2nc(-c3cccc([N+](=O)[O-])c3)nnc21,0.0
CO[C@H](Cc1ccc(OCCc2ccc(Oc3cccc(Cl)c3)cc2C)nc1)C(=O)[O-],0.0
O=C1C=C(C2CCCCC2)c2ccccc2C1=O,0.0
Nc1nc(-c2ccco2)c2ncn(CCCc3ccccc3)c2n1,0.0
c1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CC[NH2+]CC2)cc1,0.0
CC(C)OC(=O)c1cccn1S(=O)(=O)c1cc(Cl)ccc1N,0.0
Cc1cc(Nc2nc3cccc(-c4cc(F)c(CN5CCOCC5)c(F)c4)c3o2)ccc1C(=O)N(C)C,0.0
Nc1ncc(NC(=O)c2c(Cl)ccc3c(Nc4cccc(C(F)(F)F)c4)noc23)cn1,0.0
CC#CCOc1ccc(S[C@@H](C(=O)NO)C2CCCCC2)cc1,0.0
CC[C@@H](NC(=O)Nc1nc2ccc(C(=O)Nc3c(C)cccc3Cl)cc2s1)c1ccccc1,0.0
CCCN(c1ccccc1-c1ccccc1)S(=O)(=O)c1ccc(O)c(C)c1,0.0
O=C(C[C@H](c1ccco1)S(=O)(=O)c1ccccc1)NO,0.0
c1ccc2sc(Oc3ccc(OCCN4CCOCC4)cc3)nc2c1,0.0
CCn1c(=O)n(CC)c2cc(-c3c[nH]nc3-c3cccc(C)c3)ccc21,0.0
O=c1ncn2nc(Sc3ccc(F)cc3F)ccc2c1-c1c(Cl)cccc1Cl,0.0
Cc1n[nH]c(-c2ccccc2Nc2ncnc3[nH]ccc23)n1,0.0
O=S1(=O)c2ccc(O)cc2CCN1c1ccccc1Cl,0.0
COc1ccc(CN2CCC=C(CCC(=O)NO)C2=O)c(OC)c1,0.0
O=C1O[C@](O)(c2ccc(O)c(Cl)c2)c2ccc([N+](=O)[O-])c3cccc1c23,0.0
[NH3+][C@H]1CC[C@H](Nc2nc(NCC3CC3)c3ncn(C4CCCC4)c3n2)CC1,0.0
C=CC(=O)NC1=CC=C2N=CN=C(Nc3ccc(Oc4ccccc4)cc3)[C@@H]21,0.0
CC(C)[C@H](O)C(=O)N[C@@H](C)C(=O)N[C@@H](Cc1ccccc1)[C@@H](O)C[C@@H](C)C(=O)N[C@H](C(=O)NCc1ccncc1)C(C)C,0.0
O=C(Nc1nccs1)c1nc(Sc2ncn[nH]2)ccc1Sc1ccccc1,0.0
CC[C@@H](C)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@@H](CC(=O)[C@H](C)[NH3+])C(C)C)C(=O)[O-],0.0
O=C(NC1CC1)c1ccc(F)c(CCc2cnc(Nc3ccccn3)s2)c1,0.0
C[C@H]1O[C@H](Nc2ccc(S(N)(=O)=O)cc2)[C@@H](O)[C@H](O)[C@@H]1O,0.0
[NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(C(F)(F)F)cc1)C(=O)[O-],0.0
[NH2+]=C1Nc2cc(CCC[NH2+]Cc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
Nc1nc(N)c2nc(CN3c4ccccc4CCc4ccccc43)cnc2n1,0.0
[NH2+]=C(Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1,0.0
c1cc(-c2cnc(N3CCCC3)c(N3CCC[NH2+]CC3)n2)c2cc[nH]c2n1,0.0
CC1CCN(c2cc(C3=CC[NH2+]CC3)ccc2NC(=O)c2ccc(C#N)o2)CC1,0.0
CC(C)Oc1cc(OCC2CCCC2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
COc1ccc2nc(-n3ccnc3)nc(NCc3ccco3)c2c1,0.0
Cc1[nH+]c2ccccc2c(N)c1COCc1cccc(C(=O)C(F)(F)F)c1,0.0
COc1cccc2c(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)c[nH]c12,0.0
O=C([O-])Cc1ccc2c(c1)SCc1ccccc1C2=O,0.0
O=C([O-])c1sccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1,0.0
O=C(CCc1noc2c1ccc1cc(O)ccc12)Nc1ccccc1C(=O)[O-],0.0
O=C(CN1Cc2c(Cl)cccc2N(CCCc2ccccc2)S1(=O)=O)NO,0.0
O=C(N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)[C@H]1CCC[N@@H+]1CC1CCOCC1,0.0
O=S(=O)([O-])c1cccc2cccc(Nc3ccccc3)c12,0.0
Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O,0.0
Fc1ccc(-c2ncoc2-c2ccc3nnc(Cc4ccccc4)n3c2)cc1,0.0
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,0.0
Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1,0.0
Cc1cccc(-c2[nH]ncc2-c2ccc(Cl)cc2)n1,0.0
NC(=[NH2+])NCc1ccc([C@@H]2CC/C(=C/I)OC2=O)cc1,0.0
COc1ccc(C(F)(F)F)cc1NC(=O)Nc1cccc(-c2cn3ccnc3c(NCc3ccncc3)n2)c1,0.0
Cc1nnc(-c2ccc(-c3cc(NC(=O)c4ccc(CN5CC[NH+](C)CC5)cc4)ccc3C)c(C)c2)o1,0.0
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(=O)CC2)cc1[N+](=O)[O-],0.0
CC[C@@](C)(Cc1ccc(OCCCOc2ccc(CC(F)(F)F)cc2Cl)cc1)C(=O)[O-],0.0
Nc1ncnc2c1c(-c1ccc3nc(-c4ccccc4)[nH]c3c1)nn2[C@H]1CC[C@H](N2CCOCC2)CC1,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(C[C@H](F)C[NH3+])c1ccccc1,0.0
CO[C@]12CCCCC[C@@H]1c1ccccc1/C2=N/OC[C@H](O)C[NH2+]C(C)C,0.0
[NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ccnc3n[nH]cc23)CC1,0.0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)N(C)C)c(Cl)cc12,0.0
C[NH+](C)CCc1cn(S(=O)(=O)c2ccccc2)c2ccccc12,0.0
O=C(NO)c1ccc(-c2cccc3ccccc23)cc1,0.0
O=C(N1CCCc2ccccc21)[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
O=C1c2ccccc2-c2n[nH]c3cccc1c23,0.0
C[C@H](O)[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O,0.0
CNc1nccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1,0.0
Fc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1,0.0
O=C1CCC(c2ccccc2)=NN1Cc1ccc(Cl)c(Cl)c1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
C[C@@H](Nc1ncnc2[nH]c(-c3ccccc3)cc12)c1ccccc1,0.0
O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])c1c(F)cccc1Cl,0.0
O=C(COc1ccc(SCCCCc2ccccc2)cc1)COc1ccc(C(=O)[O-])cc1,0.0
[NH3+]C[C@H](CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,0.0
Cc1cccc(Oc2c(C(F)(F)F)oc3cc(O)ccc3c2=O)c1,0.0
[NH3+]C1CCN(c2ncnc3[nH]cnc23)CC1,0.0
O=C1[C@H](CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)NCCCN1O,0.0
CC(C)(Cc1ccc(Oc2ccc(C(N)=O)cn2)cc1)[NH2+]C[C@H](O)COc1cccc2c1C1(CC1)C(=O)N2,0.0
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Br,0.0
CCC1(CC)OC(NC2Cc3ccccc3C2)=NC1=O,0.0
O=C1N=C([O-])/C(=C\c2ccc(Oc3ccccc3)cc2)C(=O)N1,0.0
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1[O-],0.0
Nc1ccc2cccc(Nc3ncccn3)c2n1,0.0
Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(N)=[NH2+])cc2)c1,0.0
O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1,0.0
[NH3+][C@H]1CN(CCc2cccc(C(=O)[O-])c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,0.0
Nc1ncc(C[N@H+]2CCc3c([nH]c4ccccc34)C2)c(N)n1,0.0
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(N)=O)CCCC3)C(=O)N2,0.0
NC(=O)c1cccc2[nH]c([C@@H]3CC[N@@H+](C4CCCC4)C3)nc12,0.0
Clc1cccc(Cc2nc3c(NCC[C@@H]4CCCC[NH2+]4)nccc3o2)c1,0.0
C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(C(N)=O)c1,0.0
Cc1oc(C2CCCCC2)nc1CCOc1ccc(C[C@](C)(Oc2ccccc2)C(=O)[O-])cc1,0.0
CCOC(=O)/C(C#N)=C\Nc1cccc(-c2ccccc2)c1,0.0
COc1ccccc1N1CC[NH+](CCCCNC(=O)/C=C/c2cccc(Oc3ccccc3)c2)CC1,0.0
Cc1ccc(C(N)=O)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O,0.0
O=C(CCc1nnnn1-c1ccccc1)C1CCCCC1,0.0
O=C(c1cc2cc(O)ccc2[nH]1)c1cc2cc(O)ccc2[nH]1,0.0
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1C[C@@H]2CCCC[C@@H]2C[NH2+]1,0.0
COc1cc2c(N[C@@H]3C[C@H]3c3ccccc3)c(C#N)cnc2cc1OCCCc1cccnc1,0.0
Oc1ccc(C2=COc3cc(O)ccc3C2)cc1,0.0
CCc1cc(CCC2=N[C@@H]3CCCC[C@@H]3O2)c(=O)[nH]c1C,0.0
COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCC4)c(N)n2)cc1,0.0
CCC(CC)[C@@H](NC(C)=O)[C@@H]1[C@@H](O)[C@@H](C(=O)[O-])C[C@H]1NC(N)=[NH2+],0.0
NC1=NC(=O)[C@@H]2N=C[C@H](Cc3ccccc3)[C@H]2N1,0.0
Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl,0.0
O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@H](c2noc3cc(F)ccc32)CC1,0.0
CC(C)(C[C@](O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1cc(F)ccc1O,0.0
CCCCNC(=O)N1Cc2n[nH]c(NC(=O)[C@@H](C)c3ccc4ccccc4c3)c2C1,0.0
O=C1[C@@H]2[C@H](C(=O)N1c1ccc(Br)c(C(F)(F)F)c1)[C@H]1C=C[C@@H]2C1,0.0
C[C@H](C(N)=O)[N@@H+]1CCc2cc(OCc3cccc(F)c3)ccc2C1,0.0
O=C1NCCC[C@H]1N1C(=O)c2ccccc2C1=O,0.0
Nc1ncnc2c1ncn2[C@@H]1C=C(CO)C(=O)[C@@H]1O,0.0
NC(=[NH2+])c1ccc(O)c(/C=C/CNC(=O)c2ccc(-c3ccnc(C(N)=O)c3)cc2)c1,0.0
FC(F)(F)c1ccc2c(c1)[C@H]1O[C@@H](Cn3cncn3)CC[C@H]1[C@H](c1ccccc1)N2,0.0
Cc1n[nH]c2ccc(-c3cncc(NC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
CCCc1c(OCCCN(C)c2ccc(CC(=O)[O-])cc2C)ccc2c(C(F)(F)F)noc12,0.0
COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(F)c3)c1C2,0.0
O=C([O-])[C@@H]1[C@H]2CCCC[C@H]2C(=O)N1C(=O)CCS,0.0
NS(=O)(=O)c1cnccc1Sc1nc2ccc([N+](=O)[O-])cc2s1,0.0
CC1=CC(C)(C)Nc2cc3oc4ccccc4c3cc21,0.0
COC(=O)N[C@H](Cc1ccc2ccccc2c1)C(=O)NCCCC[C@H](CO)N(CC(C)C)S(=O)(=O)c1ccc(N)cc1,0.0
O=C1NCCc2c(-c3ccc4[nH]ccc4c3)[nH]c3cccc1c23,0.0
Cc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(C(F)(F)F)c1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(Cc2ccccc2)c1,0.0
Nc1cccc(-c2csc(NC(=O)CCCCc3cc(C(=O)NO)no3)n2)c1,0.0
N/C(=[NH+]\CC1CCCCC1)c1c(Nc2ccc(Cl)cc2Cl)s[nH]c1=O,0.0
O=C1c2ccc(O)cc2C(=O)N1c1cccc2c(O)cccc12,0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCCCCC1)[P@@](=O)([O-])O,0.0
C=CCOC(=O)/C(C#N)=C1\S[C@H](CNc2ccc(C(C)=O)cc2)C(=O)N1CC,0.0
Cc1ccc2ccccc2c1-c1nnc(-c2ccccc2C(F)(F)F)n1C,0.0
c1ccc(CNc2ccc(OC[C@@H]3CCC[NH2+]3)cc2)cc1,0.0
C[C@@]1(N2C(=O)c3ccc(N)cc3C2=O)CCC(=O)NC1=O,0.0
Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1,0.0
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)N3CC(C(=O)[O-])C3)cc12,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cnc4c(-c5cnn(C)c5)ccn4c3N)cc2)c1,0.0
Oc1ccc([C@@H]2CCc3cc(O)ccc3N2)cc1,0.0
N#Cc1cc(-c2ccc(O)cc2F)cc2ccc(O)cc12,0.0
O=c1[nH]c2ccccc2c(NCC2CC[NH2+]CC2)c1-c1nc2ccccc2[nH]1,0.0
O=C([O-])c1cc2c3cc([N+](=O)[O-])c(Cl)cc3nc([O-])n2n1,0.0
O=C(NCCc1c(F)cccc1F)Nc1ccc(Cl)cn1,0.0
CC(C)c1nnc2ccc(-c3cnoc3-c3cc(F)ccc3F)cn12,0.0
Nc1nc(=O)c2[nH]cc(Cc3ccccn3)c2[nH]1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1sc3ccc(O)cc3c21,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]CCCn2cc[nH+]c2)CC1,0.0
Cc1ccc2oc(=O)c(C[C@H](Cc3ccccc3)C(=O)NO)cc2c1,0.0
C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(O)cc1,0.0
NC1=[NH+][C@@](c2ccccc2)(C2CCCCC2)C(=O)N1C[C@H]1CC[C@H](C(=O)[O-])CC1,0.0
CC(=O)S[C@@H]1CC2=CC(=O)CC[C@]2(C)[C@H]2CC[C@@]3(C)[C@@H](CC[C@@]34CCC(=O)O4)[C@H]12,0.0
Cc1c[nH]c2ncnc(N3CC[C@H](NC(=O)c4ccccc4)C3)c12,0.0
CN(C)S(=O)(=O)c1ccc2oc3ccc(C(=O)[O-])cc3c(=O)c2c1,0.0
[O-]c1ncnc2cc([C@H]3N[C@@H](CO)[C@@H](O)[C@H]3O)[nH]c12,0.0
NS(=O)(=O)c1ccc(COC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
C#CCN(Cc1cc2c(=O)[nH]c(C)nc2cc1C)c1ccc(C(=O)NCc2ccccn2)c(F)c1,0.0
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])CC(C)(C)CCc1cccc2ccccc12,0.0
Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1,0.0
C[C@H](CCc1ccc(O)cc1)OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
COc1cccc(-c2cccc(CC[C@]3(C)CC(=O)N(C)C(N)=[NH+]3)c2)c1,0.0
NC(=O)c1cccc(-c2ccc([C@H]([NH3+])Cc3cc(F)ccc3F)cc2)c1,0.0
C[NH2+][C@@H](C)C(=O)N[C@H]1CCCC[C@H]2CC[C@@H](C(=O)N[C@H]3CCC[C@H]4C=CC=C[C@@H]43)N2C1=O,0.0
Cc1cc(C[C@H]([NH3+])C(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1,0.0
O=C(N[C@H](CCC(=O)N1c2ccccc2CC[C@@H]1C(=O)[O-])C(=O)[O-])OCc1ccccc1,0.0
Cc1ccc(C2CCCCC2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1,0.0
Cn1ccnc1Sc1cc(C(=O)Nc2nccs2)c(N)cc1F,0.0
Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(-n2ccnc2)cc1,0.0
Oc1cc2cc(-c3cccnc3)cnc2cc1O,0.0
Oc1ccc(-c2cc(Br)c3cc(O)ccc3n2)cc1,0.0
O=C(/C=C/c1cccc(C(=O)c2cc3ccccc3o2)c1)NO,0.0
c1ccc(-c2ccnc(Nc3ccc(-n4cncn4)cc3)n2)cc1,0.0
Cc1c(CC(=O)NN)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1,0.0
Cn1cc(/C=C2\C(=O)NN=C2c2cnccn2)c2c(Br)cccc21,0.0
CC(C)(C)N1CN(c2ccc(Cl)cc2)C(N)=C2C=NN=C21,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
O=C(NO)[C@H]1Cc2cc(O)c(O)cc2CN1S(=O)(=O)c1cccs1,0.0
COc1ccc(CSc2nc([O-])cc(C(F)(F)F)n2)cc1,0.0
COc1ccc(-n2nc(C(=O)NCc3cccnc3)cc2C(=O)Nc2ccccc2)cc1,0.0
Clc1ccc(O[C@@H](Cn2ccnc2)c2ccc(Cl)cc2Cl)c(Cl)c1,0.0
NC(=[NH2+])NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@]([NH3+])(Cc3ccccc3)CN12,0.0
C[C@]1(C(=O)N=c2[nH]cc[nH]2)C[C@H]2c3ccccc3[C@@H]1c1ccccc12,0.0
Cc1ccn2c(n1)nc1c3ccccc3c(=O)[nH]c12,0.0
Cc1n[nH]c(Nc2ccc(OC(F)(F)F)cc2)c1C#N,0.0
NC(=O)[C@]12C[C@@H]3C[C@H](C1)[C@@H](N1CC[C@@H](Cc4ccccc4)C1=O)[C@@H](C3)C2,0.0
C[C@H](Nc1ccnc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
c1ccc(-c2noc(C[NH+]3CCCCC3)c2-c2ccnc(NC3CCCCC3)n2)cc1,0.0
O=C(Nc1cccc(-c2ccnc3c(-c4ccoc4)cnn23)c1)c1cccc(C(F)(F)F)c1,0.0
C[C@H](S[C@@H](CCc1ccccc1)C(=O)[O-])C(=O)N1[C@@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21,0.0
NS(=O)(=O)c1ccc(Nc2[nH]c(=O)[nH]c(=O)[nH+]2)cc1,0.0
O=C1NC(=O)c2cc(NC(=O)c3ccccc3)ccc2C1=O,0.0
O=C([O-])C[C@H](O)CC(=O)CCc1ccccc1,0.0
COc1cc(CN2C(=O)/C(=N\O)c3cc(F)ccc32)cc(OC)c1,0.0
O=C(NO)c1c(F)cccc1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1,0.0
O=C(NCCS(=O)(=O)c1ccc(C(F)(F)F)cn1)c1ccc(-c2ccccc2)cc1,0.0
OC[C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H](O)[C@@H]1O,0.0
Cc1ccc(NC(=O)Nc2ccccc2C[N@H+](C)C2CCCCC2)cc1Nc1nccc(-c2cccnc2)n1,0.0
O=C([O-])[C@H]1CC[C@@H]2CC[C@H](CCc3nnn[n-]3)C[C@@H]2C1,0.0
O=c1c(Cc2c(O)oc3ccccc3c2=O)c([O-])oc2ccccc12,0.0
O=c1c(-c2cccc(Cl)c2)c[nH]c2cc(O)cc(O)c12,0.0
Cn1c([O-])c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O,0.0
CC1=[NH+]CC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,0.0
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(OCCN2CCOCC2)c2ccccc12,0.0
O=C(Cc1ccccc1)Nc1ncc(C2CCCCC2)s1,0.0
COc1ccc(S(=O)(=O)N(C)c2c(Cn3ccnc3)cccc2C(=O)NO)cc1,0.0
O=C(C[C@@H]1C=Cc2ccccc2NC1=O)NO,0.0
O=C(NNC(=O)c1ccccc1O)c1ccccc1O,0.0
O=C1c2ccccc2C(=O)N1CCn1ccc(=O)[nH]c1=O,0.0
NC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(Nc3ccccc3)nc1-2,0.0
O=C1NC(=O)[C@@]2(CN(Cc3ccc(F)cc3)c3ccc(F)cc32)N1,0.0
CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(C)cc1,0.0
NC(=[NH2+])c1ccc2nc(Cc3nc4cc(Cl)ccc4[nH]3)[nH]c2c1,0.0
O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO,0.0
O=c1[nH]c2ccccc2cc1[C@@](C#CC1CC1)(OCc1ccccc1)C(F)(F)F,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)CC1CCCCC1,0.0
[NH3+]C1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3nc([O-])[nH]c23)CC1,0.0
NC(=[NH2+])SCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc21,0.0
O=C(Nc1ccc2[nH]nc(-c3cc4ccccc4s3)c2c1)[C@@H]1CCOC1,0.0
O=C(/C=C(/[O-])c1cccc2ccccc12)CC(=O)C(=O)[O-],0.0
O=C1C=CC(=O)c2ccccc21,0.0
COC(=O)c1ccnn1C(=O)c1ccc(Cl)cc1,0.0
NC(=[NH2+])c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1,0.0
CCCCCC[C@H]([C@H](C)O)[N@@+]1([O-])C([O-])=Nc2c(N)ncnc21,0.0
O=C([O-])Cc1cc(=O)oc2ccc3ccccc3c12,0.0
CC#C[C@@]1(O)CC[C@@]2(CCC)c3ccc(O)cc3CC[C@@H]2C1,0.0
C[C@@H]1CC(C)(C)Nc2ccc3c(c21)COc1c(F)cc(F)cc1-3,0.0
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2cccc[n+]2[O-])cc1,0.0
O=C1N[C@@H](C(=O)[O-])Cc2ccccc2CCCCCC[C@@H]1CS,0.0
C[C@@H](O)[C@H](COCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
CCc1cc(OCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,0.0
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc3[nH]cc(Cl)c23)cc1,0.0
Oc1cc(Br)c2oc(-c3ccc(O)c(F)c3)cc2c1,0.0
CC[C@H]1Oc2cc(O)ccc2N=C1c1ccc(O)cc1,0.0
O=P([O-])([O-])[C@H](Cc1cccnc1)[P@@](=O)([O-])O,0.0
O=C([O-])c1cc(O)c(O)c(OC(=O)c2cc(O)c(O)c(O)c2)c1,0.0
O=C1NC(=O)C(c2cn(-c3cccnc3)c3ccccc23)=C1c1[nH]nc2ccccc12,0.0
Cc1ccc(OC(=O)N(CC(=O)[O-])Cc2cccc(OCc3nc(-c4cccc(Cl)c4)oc3C)c2)cc1,0.0
O=C1CS[C@H](c2ccc(OCc3ccccc3)cc2)CN1,0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1[N-]S(=O)(=O)C(F)(F)F,0.0
Nc1nccc(Nc2ccc3[nH]nc(-c4ccc[nH]4)c3c2)n1,0.0
COc1cccc(CNC(=O)c2cccc(C(=O)NCc3ccc(C(=O)[O-])cc3)c2)c1,0.0
C[C@@H](C(=O)[O-])c1ccc2c(c1)Oc1ccccc1CO2,0.0
Nc1nc2c(nc(N)n2[C@H]2O[C@H](CSc3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1COCC1CC1)Cc1cc(F)c(F)cc1F,0.0
CCCCCCCCCCCC(=O)NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(Br)cn1,0.0
O=C([O-])CCc1ccccc1OCC1[C@@H](Br)CCC[C@@H]1Br,0.0
COC(=O)C[C@H](O)C[C@H](O)/C=C/n1c(C(C)C)cc(-c2ccncc2)c1-c1ccc(F)cc1,0.0
Cc1ccc(C(=O)NCCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1,0.0
Nc1nc(N)c2cc(/C=C/C(=O)Oc3ccccc3)ccc2[nH+]1,0.0
O=S(=O)(c1ccccc1)c1c(-c2ncc[nH]2)[nH]c2ccc(Cl)cc12,0.0
Cc1c(Cc2c(F)cccc2F)nc(NC2CCCC2)[nH]c1=O,0.0
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)S(=O)(=O)Cc1ccccc1)NO,0.0
Nc1nc(N)c2cc(NCCc3ccccc3)cnc2[nH+]1,0.0
Fc1ccc(Nc2ncnc3nn4ccccc4c23)cc1Cl,0.0
Cn1c(/C=C/C(=O)NO)ccc1C(=O)Cc1ccccc1,0.0
c1ccc(-c2nn(-c3ccccc3)c3c2CCCC3)cc1,0.0
Cn1c(=O)cc(C(F)(F)F)c2cc3c(cc21)N1CCC[C@]1(C)CC3,0.0
CNC(=O)C(=O)CCCCCCC(=O)Nc1ccc2ccccc2c1,0.0
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@H](C)CC2,0.0
c1ccc2[nH]c(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1,0.0
N#CC[C@@H](c1cccc(Cl)c1)c1c[nH]c2c(=O)[nH]cnc12,0.0
Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccccn2)c1=O,0.0
CCOC(=O)c1ccc(OC(=O)c2cc3c(cc2C)N(C)CCC3(C)C)cc1,0.0
O=c1c2cc(Cc3ccccc3)ccc2oc2ccc(O)c(O)c12,0.0
CC[N@@H+]1CC[C@@]2(C)c3cc(OC(=O)NCc4ccccc4)ccc3C[C@H]12,0.0
Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,0.0
C[N@H+]1CC[C@H](CC[C@H]2C(=O)Nc3ccccc3C2=O)CC1,0.0
CCCC[C@H](CC(=O)NO)S(=O)(=O)C1CCCCC1,0.0
O=[N+]([O-])c1ccccc1S(=O)(=O)c1c[nH]c2ncccc12,0.0
NC(=O)c1cccc2ccc(-c3ccccc3)nc12,0.0
O=C(/C=C/c1ccc(Sc2ccccc2OCc2ccccn2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
Clc1ccc(Cn2cc(-c3ccncc3)cn2)c(Cl)c1,0.0
Cc1ccc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)cc1C,0.0
O=C(Nc1cccs1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1,0.0
O=C([O-])C(=O)CC(=O)c1cccc(OCc2cccc(COc3cccc(C(=O)/C=C(\[O-])C(=O)[O-])c3)c2)c1,0.0
O=C1Nc2ccc(-c3cccnc3)cc2/C1=C/c1ccc[nH]1,0.0
CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)C(F)(F)O3)ccn1,0.0
O=C([O-])CN1C(=O)O[C@@H](c2ccccc2)C1=O,0.0
COc1ccccc1COCCCOc1ccc(C2=C(C(=O)N(C)Cc3ccccc3Cl)[C@H]3CN(C)C[C@@H](C2)N3)cc1,0.0
O=C([O-])Cn1ccc(=O)n(Cc2ccc(Cl)c([N+](=O)[O-])c2)c1=O,0.0
c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCO5)n3)c2c1,0.0
CCOc1ccccc1-c1nc([O-])n2c(C)nc(C3CCCC3)c2n1,0.0
Nc1nc(N)c(SC[C@H]2CCc3cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc3C2)c(=O)[nH]1,0.0
Cn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2ccc(-c3nc4cc(-c5nnn[n-]5)ccc4nc3-c3ccccc3)cc2)CC1,0.0
COC[C@H](O)COc1ccc(OCc2cccc(C(F)(F)F)c2)cc1C(C)=O,0.0
COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1,0.0
CC(C)c1c[nH]c2ccc(Oc3c(C(F)(F)F)cc(CC(=O)[O-])cc3C(F)(F)F)cc12,0.0
O=C(Cc1ccccc1)Nc1n[nH]c2ccc(N3CCCC3=O)cc12,0.0
Cc1cc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)ccn1,0.0
Oc1ccc2c(ccc3c4ccccc4ccc23)c1O,0.0
O=C(c1cccc2ccccc12)N1CCN(CCc2c[nH]c[nH+]2)c2ccccc2C1,0.0
[NH3+]CCN1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1,0.0
CCc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4F)C3)c12,0.0
CCCOc1ccc(-c2ccc(-c3ccccc3Cl)n2CC(=O)/N=C(/N)NCc2ccco2)cc1,0.0
O=C(Nc1ccccc1CNc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1,0.0
CCCCCCCC/C=C\CCCCCCCC(=O)[O-],0.0
CONC(=O)c1ccc(C)c(Nc2ncnc(NC3CCCC3)c2C#N)c1,0.0
O=c1[nH]c2ccccc2cc1-c1cc2ccccc2[nH]1,0.0
O=C(CCc1ccc(Cl)c(Cl)c1)CC(=O)C(=O)[O-],0.0
N#Cc1cc2[nH]c(=O)c([O-])nc2cc1[N+](=O)[O-],0.0
CC(C)c1c(C(=O)NCCc2ccccc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
NC(=[NH2+])c1ccc(CC(=O)CN2CCCC[C@H](NS(=O)(=O)c3ccc4c(c3)CCO4)C2=O)cc1,0.0
Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12,0.0
Nc1cc(-n2ccc(C(=O)c3ccccc3)c2)cc(F)c1O,0.0
Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1,0.0
Cc1ccc(S(=O)(=O)N2CC=C(c3ccccc3)CCC2)cc1,0.0
COc1c([C@@H](O)c2ccccc2)c(=O)oc2ccccc12,0.0
Cn1c(-c2ccccc2Cl)nnc1C1(c2ccc(Cl)cc2)CCC1,0.0
NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1,0.0
CC1(C)OC(=O)Nc2ccc(-c3cc(F)cc(Cl)c3)cc21,0.0
O=C(Nc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12,0.0
Nc1nc(N)c2c(C#Cc3ccccc3)cccc2[nH+]1,0.0
NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,0.0