SMILES,aofb
O=C1c2ccccc2-c2nnc(-c3ccc(C(F)(F)F)cc3)cc21,1.0
Cc1c(C)c2ccc(OCc3ccc(F)cc3)cc2oc1=O,1.0
CCn1nnc(-c2ccc3c(=O)c4cc(O)ccc4oc3c2)n1,1.0
Cc1cc2c(nn1)-c1cc(OCc3ccccc3)ccc1C2=O,1.0
Cn1c(=O)c2c(nc(/C=C/c3cccc(Cl)c3)n2C)n(C)c1=O,1.0
Cc1c(C)c2ccc(OCc3nc(C(C)C)no3)cc2oc1=O,1.0
C[C@H](C(N)=O)[N@@H+]1CCc2cc(OCc3cccc(F)c3)ccc2C1,1.0
Cc1c(C)c2ccc(OCc3nnc(C(C)C)s3)cc2oc1=O,1.0
Cc1c(C)c2ccc(OCc3cc(C4CC4)on3)cc2oc1=O,1.0
Cc1cccc(COc2nc3c(c(=O)n(C)c(=O)n3C)n2C)c1,1.0
Cc1c(C)c2ccc(OCc3ccccn3)cc2oc1=O,1.0
CS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1,1.0
O=C1Nc2cc(/C=C/c3ccccc3)ccc2C1=O,1.0
Cc1c(C)c2ccc(OCc3csc(C(C)C)n3)cc2oc1=O,1.0
CC1(COc2ccc(C[C@H]3SC(=O)NC3=O)cc2)CCCCC1,1.0
COc1cccc(-c2csc(N/N=C(\C)c3cccnc3)n2)c1,1.0
CN(CCCc1ccccc1)C(=O)c1cc2ccccc2n1C,1.0
COc1cccc(-c2csc(N/N=C(\C)c3ccncc3)n2)c1,1.0
COc1cccc(-c2csc(NN=C3CCCCCC3)n2)c1,1.0
O=C1c2ccccc2-c2nnc(-c3cccc([N+](=O)[O-])c3)nc21,1.0
C[NH2+]Cc1cc(=O)oc2cc(OCc3ccc4c(c3)OCO4)ccc12,1.0
NC(=O)[C@@H]1CCC[N@H+]1Cc1cc(=O)oc2cc(OCc3ccccc3)ccc12,1.0
O=C1Nc2ccc(/C=C/c3ccccc3)cc2C1=O,1.0
O=C1CS[C@H](c2ccc(OCc3ccccc3)cc2)CN1,1.0
COC[C@H](O)COc1ccc(OCc2cccc(C(F)(F)F)c2)cc1C(C)=O,1.0
CN(CCc1ccccc1)C(=O)c1cc2ccccc2n1C,1.0
Cc1nnc(COc2ccc3c(C)c(C)c(=O)oc3c2)o1,1.0
C=C(Br)COc1ccc2c(oc(=O)c3ccccc32)c1C,1.0
C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCC3,1.0
COc1ccc(C(=O)/C=C/c2ccc(Cl)cc2)c(O)c1,1.0
O=C(Nc1c(F)c(F)nc(F)c1F)c1cc2ccccc2oc1=O,1.0
N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=O,1.0
N#CCCN1N=C(c2ccc(OCc3cccc(Cl)c3)cc2)OCC1=O,1.0
C#CCNCc1cc2cc(OCc3ccccc3)ccc2[nH]1,1.0
COc1cccc(-c2csc(N/N=C3\CCC[C@H]3C)n2)c1,1.0
O=c1cc(-c2ccccc2)oc2cc(O)ccc12,1.0
N#CCCn1nnc(-c2ccc(OCc3ccccc3)cc2)n1,1.0
O=C(NCc1ccccc1)c1cc2ccccc2[nH]1,1.0
COc1ccc(-c2cc(=S)c3ccccc3o2)cc1,1.0
C[N@H+](CCCc1ccccc1)Cc1cc2ccccc2[nH]1,1.0
N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)sc1=O,1.0
C[N@H+](CCc1ccccc1)Cc1cc2ccccc2[nH]1,1.0
N#CCCN1N=C(c2ccc(OCc3ccccc3)cc2)OCC1=S,1.0
O=C(NC1CCCCC1)c1cc2ccccc2oc1=O,1.0
O=c1cc(-c2ccccc2)c2ccc(O)cc2o1,1.0
N#CCCN1CC(=O)OC(c2ccc(OCc3ccccc3)cc2)=N1,1.0
COc1ccc(C(=O)/C=C/c2ccc(OCc3ccccc3)cc2)cc1,1.0
C[C@@H](C1CCCCC1)[N@H+](C)Cc1cc2ccccc2[nH]1,1.0
C[N@H+](Cc1ccccc1)Cc1cc2ccccc2[nH]1,1.0
COc1cccc(-c2cs/c(=N\N=C\c3cccs3)[nH]2)c1,1.0
N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)oc1=S,1.0
O=c1c(=O)c2ccc(OCCCC(F)(F)F)cc2c1=O,1.0
CCC(CC)=NNc1nc(-c2cccc(OC)c2)cs1,1.0
O=C(NCc1ccccc1)c1cc2ccc(OCc3ccccc3)cc2oc1=O,1.0
COc1cccc(-c2cc3cc(C)ccc3oc2=O)c1,1.0
C[C@@H](C1CCCCC1)N(C)C(=O)c1cc2ccccc2n1C,1.0
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1,1.0
COC[C@@H]1CN(c2ccc(OCC[C@H](O)C(F)(F)F)cc2)C(=O)O1,1.0
CN(CCc1ccccc1)C(=O)c1ccc[nH]1,1.0
Cn1cccc1C(=O)NCc1cccc(F)c1,1.0
N#CCCn1nc(-c2ccc(OCc3ccccc3)cc2)sc1=S,1.0
O=C1CCc2cc(OCCCC(F)(F)F)ccc21,1.0
COc1ccc2c(c1)C(=O)c1ccc(-c3nnc(C)o3)cc1S2(=O)=O,1.0
COc1ccc2c(c1)C(=O)c1ccc(-c3nnn(C)n3)cc1S2(=O)=O,1.0
O=C([O-])c1coc2ccccc2c1=O,1.0
C#CCN(C)Cc1ccnc2c(O)cccc12,1.0
COc1ccc2c(C)c(C)c(=O)oc2c1,1.0
c1ccc2oc(C3=[NH+]CCN3)cc2c1,1.0
COc1ccc2c(c1)[nH]c1c(C)[nH+]ccc12,1.0
c1ccc2c3c([nH]c2c1)CC[NH2+]C3,1.0
CCCCOc1ccc([C@@H]2CNC(=O)CS2)cc1,1.0
Brc1cccc2c3c([nH]c12)CNCC3,1.0
C#CCN[C@@H]1CCc2ccccc21,1.0
C1=[NH+]CCc2c1[nH]c1ccccc21,1.0
C(=C/c1ccccc1)\C1=[NH+]CCN1,1.0
CCCCOc1ccc([C@@H]2C[NH2+]CCS2)cc1,1.0
Cc1ccc(C2=NN(C(N)=S)[C@@H](c3ccco3)C2)cc1,1.0
c1ccc2c(c1)OC[C@@H](C1=[NH+]CCN1)O2,1.0
C[C@H](C1CCCCC1)N(C)C(=O)c1ccc[nH]1,1.0
c1ccc(CCC2=[NH+]CCN2)cc1,1.0
CC(=O)N1N=C(c2ccc(O)cc2)C[C@H]1c1ccc(C)cc1,1.0
C/C(c1ccc[nH]1)=[N+](/C)Cc1ccccc1,1.0
CN1C(=O)[C@H]2[C@H](N=C(/C=C/c3ccc(Cl)c(Cl)c3)N2C)N(C)C1=O,1.0
C#CCN(C)Cc1cc2ccccc2n1C,1.0
N[C@H]1C[C@@]1(F)c1ccccc1,1.0
c1ccc(OCC2=[NH+]CCN2)cc1,1.0
C[N@H+](Cc1ccccc1)Cc1ccc[nH]1,1.0
NC(=S)N1N=C(c2cccs2)C[C@H]1c1ccco1,1.0
C#CC/[N+](C)=C(\C)c1ccc[nH]1,1.0
NC(=S)N1N=C(c2cccs2)C[C@H]1c1cccs1,1.0
NC(=S)N1NC2=C(CCCC2)[C@H]1c1cccs1,1.0
Nc1nc(-c2ccco2)c2ncn(Cc3ccc4ccccc4c3)c2n1,0.0
Nc1nc2c(cnn2Cc2ccc(F)cc2)c2nc(-c3ccco3)nn12,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN[NH+]3CCCCCC3)ccc1C2=O,0.0
COc1cccc(-c2nc(Cc3ccc(C)c(C)c3)n[nH]2)c1,0.0
Nc1[nH+]c(N2CCN(c3c(F)cc(F)cc3F)CC2)nc2nc(-c3ccco3)nn12,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CN[NH+]3CCCCC3)ccc1C2=O,0.0
Nc1nc2c(cnn2CCCCc2ccccc2)c2nc(-c3ccco3)nn12,0.0
Nc1nc2c(nnn2CCc2ccccc2)c2nc(-c3ccco3)nn12,0.0
Nc1nc2c(nnn2Cc2ccccc2)c2nc(-c3ccco3)nn12,0.0
Nc1nc(C(=O)NCCc2ccc(O)cc2)cn2nc(-c3ccco3)nc12,0.0
Nc1nc2c(ncn2CCc2ccccc2)c2nc(-c3ccco3)nn12,0.0
Cc1nc(-c2sc(NC(=O)Cc3ccccc3)nc2-c2ccccc2)no1,0.0
Nc1nc(-c2ccco2)c2ncn(C(=O)NCCc3ccccc3)c2n1,0.0
Nc1nc(NCCc2ccc(O)cc2)cc2nc(-c3ccco3)nn12,0.0
Nc1nc2c(ncn2Cc2ccccc2)c2nc(-c3ccco3)nn12,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCCC3)ccc1C2=O,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNCc3ccccn3)ccc1C2=O,0.0
Nc1nc(-c2ccco2)c2cnn(CCCc3ccccc3)c2n1,0.0
Nc1nc(-c2ccccc2)c2ncn(C(=O)NCc3ccccc3)c2n1,0.0
Nc1nc(-c2ccco2)c2ncn(Cc3cccc4ccccc34)c2n1,0.0
Nc1nc(-c2ccco2)c2ncn(CCCc3ccccc3)c2n1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccccn3)ccc1C2=O,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCOCC3)ccc1C2=O,0.0
Nc1nc2nn(CCc3ccccc3)cc2c2nc(-c3ccco3)nn12,0.0
Nc1nc(C(=O)NCCCc2ccccc2)cn2nc(-c3ccco3)nc12,0.0
OC[C@H]1O[C@H](n2cnc3c(NCc4cccc5ccccc45)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1nc(C#C[C@@H](O)C2([O-])CCC2)cn2nc(-c3ccco3)nc12,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(C[NH2+]Cc3ccco3)ccc1C2=O,0.0
C[C@H](Cc1ccccc1)Nc1ncnc2c1ncn2[C@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0.0
Nc1nc2nn(CCCc3ccccc3)cc2c2nc(-c3ccco3)nn12,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(NCCc3ccncc3)ccc1C2=O,0.0
C[NH+]1CCN(C(=O)c2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,0.0
Nc1nc(-c2ccco2)c2ncn(C(=O)NCc3ccccc3Cl)c2n1,0.0
C[NH+]1CCN(NCc2ccc3c(c2)-c2nc(N)nc(-c4ccccc4)c2C3=O)CC1,0.0
Nc1nc(OCCc2cccc3ccccc23)nc2c1ncn2[C@H]1O[C@@H](CO)[C@H](O)[C@@H]1O,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(OCC[NH+]3CCCC3)ccc1C2=O,0.0
Nc1nc(-c2ccco2)c2nnn(Cc3ccc4[nH]ccc4c3)c2n1,0.0
FC(F)C(F)(F)Oc1cccc(Nc2nccc(-c3c[nH]c4ccccc34)n2)c1,0.0
Cc1cc(-c2cc(O)ccc2Cl)cc2nnc(Nc3ccc(S(N)(=O)=O)cc3)nc12,0.0
Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC,0.0
O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)C1CCCCC1,0.0
O=C(Nc1nnc(SCc2ccc(F)cc2)s1)c1ccc(F)cc1,0.0
Fc1ccc([C@H](Cl)Cn2ncc3c(NCc4ccccc4F)ncnc32)cc1,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC,0.0
O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1cccnc1,0.0
O=C(Nc1ncc(-c2ccc(Cl)cc2)s1)c1cccs1,0.0
O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1ccncc1,0.0
O=C(Nc1nnc(COc2ccccc2)s1)c1cccs1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(C)n1,0.0
CCCCCC(=O)Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1,0.0
O=C(Nc1nnc(Cc2ccccc2)s1)c1cccs1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
Nc1nc(N)c2c(Nc3cccc(Cl)c3)[nH]nc2n1,0.0
O=C(Nc1cccc(Nc2nccc(-c3cccnc3)n2)c1)c1cccs1,0.0
Nc1ncnc2c1c(-c1ccccc1)cn2-c1ccccc1,0.0
Nc1ncnc2n[nH]c(Nc3cccc(Cl)c3)c12,0.0
O=C(Nc1nnc(CCc2ccccc2)s1)c1ccc(I)cc1,0.0
CCCCNc1nc(SC)nc2c1cnn2C[C@@H](Cl)c1ccc(F)cc1,0.0
COc1cc2ncnc(Nc3cccc(Br)c3)c2cc1OC,0.0
COc1ccc(C[C@H](CO)n2cc(-c3cccc(O)c3)c3c(N)ncnc32)cc1,0.0
Oc1cccc(-c2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)c1,0.0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,0.0
COc1ccc2c(c1)Cc1sc(NC(=O)c3cccs3)nc1-2,0.0
Nc1ncnc2c1c(-c1cnc3[nH]ccc3c1)nn2C1CCCC1,0.0
COC(=O)CN1CCC(n2cc(-c3cccc(O)c3)c3c(N)ncnc32)CC1,0.0
[NH3+]Cc1ccc(-c2cn3c(-c4cn[nH]c4)cnc3cn2)cc1,0.0
Cc1ccc(NC(=O)c2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cncnc1,0.0
Cc1ccc(NC(=O)Nc2ccc(Cl)c(C(F)(F)F)c2)cc1Nc1nccc(-c2cccnc2)n1,0.0
CSc1nc(NCCc2ccccc2)c2cnn(C[C@@H](Cl)c3ccc(Cl)cc3)c2n1,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCCC1,0.0
O=C(/C=C/c1ccc(O)c(O)c1)c1ccc(O)cc1O,0.0
C[C@@H](NC(=O)c1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-],0.0
C[C@H](NC(=O)[C@@H](S)Cc1ccccc1)C(=O)N1CCCC[C@@H]1C(=O)[O-],0.0
CC(=O)N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=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](NC(=O)[C@@H](CS)Cc1ccccc1)C(=O)N1c2ccccc2C[C@H]1C(=O)[O-],0.0
C[C@H](CS)C(=O)N1[C@@H](SCc2ccc(C3CCCCC3)cc2)CC[C@H]1C(=O)[O-],0.0
O=C(N[C@@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)[O-])C3)[C@@H](S)Cc1ccccc1,0.0
C[C@H](CS)C(=O)N(CC(=O)[O-])c1ccc(Oc2ccccc2)cc1,0.0
O=C(N[C@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)[O-])C3)[C@@H](S)C1CCCCC1,0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc2ccccc2c1,0.0
O=C(N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-])[C@@H]1CCCO1,0.0
Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccccc2)C(=O)[O-])cc1,0.0
Cc1ccc(CSC[C@@H](NC(=O)[C@H](CS)Cc2cccc3ccccc23)C(=O)[O-])cc1,0.0
CC(C)C[C@H](NC(=O)c1ccccc1)[Si](O)(O)C[C@H](C)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
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCC[C@@H]21,0.0
C[C@H](CS)C(=O)N1[C@@H](SCc2ccc3ccccc3c2)CC[C@H]1C(=O)[O-],0.0
O=C(N[C@@H]1CCC[C@H]2CCC[C@@H](C(=O)[O-])N2C1=O)[C@@H](S)Cc1ccccc1,0.0
CCOC(=O)[C@H](CCc1ccccc1)O[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-],0.0
C[C@H](CS)C(=O)N1[C@@H](SCc2cccc3ccccc23)CC[C@H]1C(=O)[O-],0.0
O=C([O-])[C@@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])NS(=O)(=O)Cc1ccccc1,0.0
C[C@H](NC(=O)[C@@H](S)CCc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
CCC[C@H]1CCC[C@H](NC(=O)[C@@H](S)Cc2ccccc2)C(=O)N1[C@@H](C)C(=O)[O-],0.0
O=C(CCc1ccccc1)N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-],0.0
O=C([O-])[C@@H]1CCCN1C(=O)C[P@@](=O)([O-])CCCCc1ccccc1,0.0
O=C(N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-])c1ccco1,0.0
O=C(N[C@H](CCC(=O)N1c2ccccc2CC[C@@H]1C(=O)[O-])C(=O)[O-])OCc1ccccc1,0.0
O=C([O-])CN1C(=O)[C@@H](NC(=O)[C@@H](S)Cc2ccccc2)CCC[C@@H]1C1CCCC1,0.0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N1[C@H](C(=O)[O-])C[C@H]2CCCC[C@@H]21,0.0
O=C(N[C@H](Cc1c[nH]c2ccccc12)C(=O)[O-])[C@@H](CS)c1cccc2ccccc12,0.0
CC(C)[C@H](S)C(=O)N[C@@H]1CCc2cccc3c2N(C1=O)[C@H](C(=O)[O-])C3,0.0
O=C(N[C@H](Cc1ccccc1)C(=O)CCC(=O)N1CCC[C@H]1C(=O)[O-])OCc1ccccc1,0.0
O=C(Nc1ccccc1)N[C@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])C(=O)[O-],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](COCc1ccccc1)C(=O)[O-],0.0
Cc1ccc(S(=O)(=O)N[C@H](CCC(=O)N2c3ccccc3C[C@H]2C(=O)[O-])C(=O)[O-])cc1,0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1cccc(C(F)(F)F)c1,0.0
C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1,0.0
C[N+]1(CCC(=O)Nc2ccc3c(c2)C(=O)c2cccc4ccnc-3c24)CCCCC1,0.0
C[N+]1(CCCC(=O)Nc2ccc3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1,0.0
Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCO[C@@H]1N2C,0.0
C[N@H+]1CC[C@H](/C=C/C=C2\Cc3ccccc3C2=O)CC1,0.0
C[N@H+]1CC[C@H](CC/C=C2\Cc3ccccc3C2=O)CC1,0.0
O=c1[nH]c2ccccc2c(=O)n1CC[C@H]1CC[N@H+](Cc2ccccc2)CC1,0.0
Cc1[nH+]c2ccccc2c(N)c1COCc1cccc(C(=O)C(F)(F)F)c1,0.0
c1ccc(C[N@H+]2CC[C@H](CCc3nsc4ccccc34)CC2)cc1,0.0
O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
c1ccc(C[N@H+]2CC[C@H](CNc3nsc4ccccc34)CC2)cc1,0.0
O=C1Cc2ccccc2CN1CC[C@H]1CC[N@H+](Cc2ccccc2)CC1,0.0
O=C1Cc2ccccc2C(=O)N1CC[C@H]1CC[N@H+](Cc2ccccc2)CC1,0.0
CC(=O)Nc1ccc2c(c1)C(=O)N(CC[C@H]1CC[N@H+](Cc3ccccc3)CC1)C2=O,0.0
CNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3ccccc3c2)c1,0.0
O=C(CC[NH+]1CCCC1)Nc1ccc2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12,0.0
O=C1Cc2c(ccc3c(CC[C@H]4CC[N@H+](Cc5ccccc5)CC4)noc23)N1,0.0
C[N@H+]1CC[C@H](/C=C2\Cc3ccccc3C2=O)CC1,0.0
O=C1c2cccnc2C(=O)N1CC[C@H]1CC[N@H+](Cc2ccccc2)CC1,0.0
O=C1c2ccccc2CN1CC[C@H]1CC[N@H+](Cc2ccccc2)CC1,0.0
O=C1Nc2ccccc2CN1CC[C@H]1CC[N@H+](Cc2ccccc2)CC1,0.0
O=C1Cc2cc3c(CC[C@H]4CC[N@H+](Cc5ccccc5)CC4)noc3cc2N1,0.0
COc1cc(/C=C/C(=O)NCCNc2c3c([nH+]c4ccccc24)CCCC3)ccc1O,0.0
O=C(CC[NH+]1CCCCC1)Nc1ccc2nc3n(c(=O)c2c1)CCc1c-3[nH]c2ccccc12,0.0
c1ccc(C[N@H+]2CC[C@H](CCCc3noc4ccccc34)CC2)cc1,0.0
CC[N+](C)(CC)CCCC(=O)Nc1ccc2c(c1)C(=O)c1cccc3ccnc-2c13,0.0
C[N@H+]1CC[C@H](CCN2C(=O)c3ccccc3C2=O)CC1,0.0
O=C(NCCCCCCNc1c2c([nH+]c3cc(Cl)ccc13)CCCC2)c1c[nH]c2ccccc12,0.0
COc1cc(O)c(C(=O)/C=C/c2ccc(N3CCCC3)cc2)cc1OC,0.0
O=C(CNc1c2c([nH+]c3ccccc13)CCCC2)NCC1CCN(c2ccccc2)CC1,0.0
CC(=O)Nc1ccc2c(CC[C@H]3CC[N@H+](Cc4ccccc4)CC3)noc2c1,0.0
CCc1ccccc1NC(=O)Oc1ccc2c(c1)[C@]1(C)CCN(C)O[C@@H]1N2C,0.0
CN1CC[C@@]2(C)c3cc(OC(=O)Nc4cccc5ccccc45)ccc3N(C)[C@@H]12,0.0
O=C(CC[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2c(c1)OCO2,0.0
CNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3ccc(=O)oc3c2)c1,0.0
CNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3c(=O)ccoc3c2)c1,0.0
Cc1cc(COc2ccc(C3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(S(=O)(=O)NCc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc([C@@H]3C[C@@]4(C[C@@H]4C(=O)NO)C(=O)N3)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C[C@@H]3[C@@H](C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)NCCC(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(CCN3[C@@H](C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@]3(C)C(=O)NC(=O)N=C3[O-])cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(N3[C@@H](C(=O)NO)CNS3(=O)=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)NC3(CC(=O)NO)CCCCC3)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)N[C@H](C)[C@H]3NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)Nc3ccccc3[C@H]3NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(COc2cc[nH+]c3ccccc23)cc1,0.0
Cc1cc(COc2ccc(N3[C@@H](C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1CC[C@@H](O)CN1S(=O)(=O)c1ccc(OCc2cccc3ccccc23)cc1,0.0
O=C(NO)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2cc(Cl)cc(Cl)c2)cc1,0.0
CNc1cc(COc2ccc(C[C@]3(C(N)=O)C[C@@H]3C(=O)NO)cc2F)c2ccccc2n1,0.0
Cc1cc(COc2ccc(S(=O)(=O)C[C@H]3[NH2+]CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(NC(=O)CC[C@H]3NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1C[C@@]12C[C@@H](c1ccc(OCc3cc(-c4cccnc4)nc4ccccc34)cc1)NC2=O,0.0
COC(=O)[C@]1(c2cccc(OCCc3cccc4ccccc34)c2)C[C@H]1C(=O)NO,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)Nc3ccccc3Cc3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(OCc2ccccc2)cc1,0.0
Cc1cc(Cc2ccc(C(=O)N[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3CCCC[C@@]34NC(=O)NC4=O)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1C[C@@]12C[C@@H](c1ccc(OCc3cc(-c4ccncc4)nc4ccccc34)cc1)NC2=O,0.0
Cc1cc(COc2ccc(S(=O)(=O)NC[C@@]3(C)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3CCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(CN3[C@@H](C(=O)NO)CCS3(=O)=O)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCC3)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)NCC3(C(=O)NO)CCCCC3)cc2)c2ccccc2n1,0.0
C[C@@]1(Cn2[nH]c3ccc(OCc4ccccc4)cc3c2=O)NC(=O)NC1=O,0.0
Cc1cc(COc2ccc(S(=O)(=O)CC3(CC(=O)NO)CCCC3)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(NC(=O)[C@H]3C[NH2+]CC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(NC(=O)[C@H]3[NH2+]CCC[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)N[C@@H]3CC(=O)C[C@@H]3C(=O)NO)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2cccc3ncccc23)cc1,0.0
Cc1cc(COc2ccc(C(=O)N[C@H]3CN(C(=O)OC(C)(C)C)C[C@@H]3c3n[nH]c(=O)[nH]3)cc2)c2ccccc2n1,0.0
Cc1cc(COc2ccc(C(=O)CCC3(C)C(=O)NC(=O)NC3=O)cc2)c2ccccc2n1,0.0
O=C(NO)[C@H]1CCC[C@@H]1C(=O)Nc1ccc(OCc2ccncc2)cc1,0.0
NC(=O)[C@@]1(Cc2ccc(OCc3cc(N4CCCC4)nc4ccccc34)c(F)c2)C[C@@H]1C(=O)NO,0.0
Cc1ccccc1CCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
COC(=O)c1ccc2ccccc2c1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
C[C@H](O)[C@@H](CCc1cccc2ccccc12)n1cnc(C(N)=O)c1,0.0
C[C@H](O)[C@@H](CCCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
C[C@H](O)[C@@H](CCOc1ccc2ccccc2c1)n1cnc(C(N)=O)c1,0.0
COC(=O)c1cccc(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
C[C@H](O)[C@@H](CCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
NC(=O)c1cn([C@@H](CO)CCc2cccc3ccccc23)cn1,0.0
COC(=O)c1cc(C)ccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
CNOC(=O)c1ccc(C)c(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)c1ccc(C)cc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
CCc1cccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)c1,0.0
Cc1ccc(C[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)cc1,0.0
COC(=O)c1c(F)cccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
COC(=O)c1ccccc1CCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
C[C@H](O)[C@@H](CCCCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
COC(=O)c1ccc(OC)c(CCCn2cnc3c2NC=[NH+]C[C@@H]3O)c1,0.0
C[C@@H](O)[C@H](COCCc1ccccc1)n1cnc2c(N)ncnc21,0.0
C[C@H](O)[C@@H](CCc1cccc(Cl)c1Cl)n1cnc(C(N)=O)c1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCc4ccccc4)cc32)cn1,0.0
Cc1cccc(CC[C@H]([C@H](C)O)n2cnc3c(N)ncnc32)c1,0.0
CCCCCCCCCCCn1cc2c(N)ncnc2n1,0.0
CCC/C=C/C[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
CCCCCCCCCCn1cc2c(N)ncnc2n1,0.0
CCCCCCCCCn1cc2c(N)ncnc2n1,0.0
CCCCCC[C@H](CO)n1cnc2c(N)ncnc21,0.0
CCCCCCCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
CCCCCCCCn1cc2c(N)ncnc2n1,0.0
CCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1,0.0
CCOC(=O)CCCCCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
COC(=O)CCCCCCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCc4ccccc4)cc32)cn1,0.0
CCCCCCCn1cc2c(N)ncnc2n1,0.0
CCCCCCOc1ccc2ccn(CC[C@H](CO)n3cnc(C(N)=O)c3)c2c1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)NCc4ccccc4)cc32)cn1,0.0
CCCCCCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
CCCCCC[C@H]([C@H](C)O)n1cnc2cccnc21,0.0
CCCCCC[C@@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(OCCCCc4ccccc4)cc32)cn1,0.0
CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)ncnc21,0.0
CCCCCCn1cnc2c1NC=[NH+]C[C@@H]2O,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]C[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2s1,0.0
O[C@@H](C[NH2+][C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)COc1cccc2[nH]ccc12,0.0
C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)c1ccc2ccccc2c1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@H]3CCCc4ccccc43)c2s1,0.0
CC(C)(Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([O-])c2[nH]c(=O)ccc12,0.0
O[C@H](COc1cccc2[nH]c3ccccc3c12)C[N@H+]1CC[C@H](Cc2cccnc2)CC1,0.0
COc1cccc2c(C[C@@H](C)[NH2+]C[C@H](O)c3cccc(Cl)c3)c[nH]c12,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]C3CCCCCC3)c2s1,0.0
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c3[nH]c(=O)sc13)C2,0.0
C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)C1CCCCC1,0.0
C[C@H](Cc1ccc(-c2ccc(C(=O)[O-])cc2)cc1)[NH2+]C[C@H](O)c1cccnc1,0.0
COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(NC=O)c2)cc1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCC[C@H]3C3CCCC3)c2s1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]CCCc3ccccc3)c2s1,0.0
O=C([O-])c1ccc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)cc1Oc1ccccc1,0.0
O[C@H](C[NH2+]Cc1ccccc1F)COc1cccc2[nH]ccc12,0.0
CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12,0.0
NS(=O)(=O)c1cc(NCC[NH2+]C[C@H](O)COc2cccc3ccccc23)ccc1Cl,0.0
O[C@H](CNc1ccccc1-c1ccccc1)CON=C(C1CC1)C1CC1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]CCCCc3ccccc3)c2s1,0.0
C[C@H](Cc1cccc(Oc2cccc(C(=O)[O-])c2)c1)[NH2+]C[C@H](O)c1cccc(Cl)c1,0.0
O[C@@H](C[NH2+]CCc1ccc(Nc2ccccc2)cc1)COc1ccccc1,0.0
COc1ccccc1OCC[NH2+]C[C@@H](O)COc1cccc2[nH]c3ccccc3c12,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]CCOc3ccccc3)c2s1,0.0
Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(-n2ccnc2)cc1,0.0
O[C@H](CNc1ccc(-c2ccccc2)cc1)CON=C(C1CC1)C1CC1,0.0
O=C([O-])c1ccc(Nc2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)cc1,0.0
O=C([O-])c1ccc(Oc2ccc(CC[NH2+]C[C@H](O)c3cccc(Cl)c3)cc2)nc1,0.0
O[C@H](CNc1[nH]c2ccccc2[nH+]1)CON=C(C1CC1)C1CC1,0.0
O[C@@H](C[NH2+]CCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1,0.0
COc1ccc(C[C@H]2CC[N@H+](C[C@@H](O)COc3cccc4[nH]c5ccccc5c34)CC2)cc1,0.0
CC(C)(C)[NH2+]C[C@@H](O)COc1cccc2c1CCC(=O)N2,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCC[C@@H]3C3CCCCC3)c2s1,0.0
O[C@@H](C[NH2+]CCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1,0.0
Cc1onc(-c2ccccc2)c1C[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12,0.0
Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc([N-]S(C)(=O)=O)cc2)c1,0.0
O=S(=O)([N-]c1ccc(CC[NH2+]C[C@H](O)COc2ccc(O)cc2)cc1)c1ccccc1Cl,0.0
Cc1ocnc1-c1ccc(OCC[NH2+]C[C@H](O)c2cccnc2)cc1,0.0
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[C@]34C[C@H]5C[C@H](C[C@H](C5)C3)C4)c2s1,0.0
O=c1ccc2c([C@@H](O)C[NH2+]C3Cc4ccccc4C3)ccc([O-])c2[nH]1,0.0
O[C@@H](C[NH2+][C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)COc1cccc2[nH]ccc12,0.0
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
C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)c1ccc2ccccc2c1,0.0
CC(C)(Cc1ccccc1)[NH2+]C[C@@H](O)c1ccc([O-])c2[nH]c(=O)ccc12,0.0
O[C@H](COc1cccc2[nH]c3ccccc3c12)C[N@H+]1CC[C@H](Cc2cccnc2)CC1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]C3CCCCCC3)c2s1,0.0
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1,0.0
CC1(C)[C@@H]2CC[C@@]1(C)[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c3[nH]c(=O)sc13)C2,0.0
C[C@@H]([NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)C1CCCCC1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+][C@@H]3CCC[C@@H]3C3CCCC3)c2s1,0.0
CC(C)Nc1cc(-c2ccc(CC[NH2+]C[C@H](O)c3ccccc3)cc2)ccc1C(=O)[O-],0.0
COc1ccc(C[C@@H](C)[NH2+]C[C@H](O)c2ccc(O)c(NC=O)c2)cc1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]CCCc3ccccc3)c2s1,0.0
O[C@H](C[NH2+]Cc1ccccc1F)COc1cccc2[nH]ccc12,0.0
O=CNc1cc([C@@H](O)C[NH2+]CCc2ccc(Oc3ccccc3)cc2)ccc1O,0.0
CC(C)(C)CC(C)(C)[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12,0.0
O[C@H](CNc1ccccc1-c1ccccc1)CON=C(C1CC1)C1CC1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]CCCCc3ccccc3)c2s1,0.0
CC(C)(C)[NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21,0.0
CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](N2C(=O)c3cccc4cccc(c34)C2=O)CC1,0.0
O[C@@H](C[NH2+]CCc1ccc(Nc2ccccc2)cc1)COc1ccccc1,0.0
O=c1[nH]c2c([O-])ccc([C@@H](O)C[NH2+]CCOc3ccccc3)c2s1,0.0
C[C@H](Cc1ccc(OCc2nonc2C(N)=O)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1,0.0
O=C(c1ccccc1)[C@H]1CC[N@H+](C[C@@H](O)COc2cccc3[nH]c4ccccc4c23)CC1,0.0
Cc1ccccc1OC[C@@H](O)C[NH2+]Cc1ccc(-n2ccnc2)cc1,0.0
O[C@H](CNc1ccc(-c2ccccc2)cc1)CON=C(C1CC1)C1CC1,0.0
CC(C)(Cc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2,0.0
O[C@H](CNc1[nH]c2ccccc2[nH+]1)CON=C(C1CC1)C1CC1,0.0
O[C@@H](C[NH2+]CCc1ccc(NC(=S)NCc2ccccc2)cc1)COc1ccccc1,0.0
O=C(Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1)c1ccccc1,0.0
COc1ccc(C[C@H]2CC[N@H+](C[C@@H](O)COc3cccc4[nH]c5ccccc5c34)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[C@@H](C[NH2+]CCc1ccc(NC(=S)NC2CCCCC2)cc1)COc1ccccc1,0.0
CN(CCC[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)c1ccccc1,0.0
CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](CN2C(=O)c3ccccc3C2=O)CC1,0.0
COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc23)cc1OC,0.0
Cc1onc(-c2ccccc2)c1C[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12,0.0
Cc1cccc(OC[C@@H](O)C[NH2+]Cc2ccc([N-]S(C)(=O)=O)cc2)c1,0.0
O[C@H](CNc1ccccc1)CON=C(C1CC1)C1CC1,0.0
O[C@H](CNc1nc2ccccc2s1)CON=C(C1CC1)C1CC1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)c1ccccc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3ncccc3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1n[nH]c2ccccc12,0.0
Cc1n[nH]c2ccc(-c3cncc(NC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3nnccc3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+]C[C@H](CNc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)C(F)(F)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cnc2ccc(-c3ccncc3)cc2c1)Cc1c[nH]c2ccccc12,0.0
[NH3+]C[C@H](C(=O)Nc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])c4ccccc4)c3)cc12,0.0
Cc1n[nH]c2c[n+]([O-])c(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccccc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1ccccc1,0.0
[NH3+][C@H](CNc1cncc(Oc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1ccc2ccccc2c1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1cnc2ccccc2c1,0.0
[NH3+]C[C@H](NCc1ccc(-c2ccnc3[nH]ccc23)s1)c1ccccc1,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5ccccc5c4)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2ccc3c(c2)C(=O)C(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
Cc1n[nH]c2ccc(-c3cncc(SC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OCC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
[NH3+][C@H](CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cnc5ccccc5c4)c3)cc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc5c4OC(F)(F)O5)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])CC4CCCCC4)c3)cc12,0.0
[NH3+][C@H](CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc(C(F)(F)F)c4)c3)cc12,0.0
[NH3+][C@H](COc1cncc(-c2ccncc2)c1)Cc1c[nH]c2ccccc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccc5c(c4)OCO5)c3)cc12,0.0
[NH3+][C@H](CNc1nnc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1csc2ccccc12,0.0
[NH3+][C@H](COc1cncc(-c2cnc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,0.0
Cc1c[nH]c2ncnc(N3CC[C@H](NC(=O)Nc4ccccc4)C3)c12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])CCCc4ccccc4)c3)cc12,0.0
CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4cccc5c4OC(F)(F)O5)c3)cc12,0.0
[NH3+][C@H](CCc1cnc(Cl)c(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,0.0
COc1ccc2ccccc2c1C[C@H]([NH3+])COc1cncc(-c2ccc3[nH]nc(C)c3c2)c1,0.0
CC(C)=C1C(=O)Nc2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc21,0.0
[NH3+][C@H](CNc1nnc(-c2ccc3cnccc3c2)o1)Cc1ccc(C(F)(F)F)cc1,0.0
[NH3+][C@H](CNc1ncc(-c2ccc3cnccc3c2)s1)Cc1ccc(C(F)(F)F)cc1,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(-c3cccc(C[NH3+])c3)c[nH]1)C(=O)N2,0.0
[NH3+][C@H](Cc1ccccc1)c1ccc(-c2ncnc3nc[nH]c23)cc1,0.0
[NH3+]C1(Cc2cccc3ccccc23)CCN(c2ncnc3[nH]ccc23)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(C(=O)NCCc3c[nH+]c[nH]3)c[nH]1)C(=O)N2,0.0
[NH3+]C[C@H](NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1)c1ccccc1,0.0
CCc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4F)C3)c12,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCc3ccncc3)c[nH]1)C(=O)N2,0.0
[NH3+]C1(Cc2ccc3ccccc3c2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
[NH3+]C1(Cc2ccc(Cl)cc2Cl)CCN(c2ncnc3nc([O-])[nH]c23)CC1,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCC[NH+]3CCCCC3)c[nH]1)C(=O)N2,0.0
[NH3+][C@H](COc1cncc(/C=C/c2ccncc2)c1)Cc1c[nH]c2ccccc12,0.0
NC(=O)Nc1ccc2c(c1)/C(=C/c1cc(C(=O)NCCN3CCOCC3)c[nH]1)C(=O)N2,0.0
[NH3+]C[C@H](CC1CCCCC1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,0.0
[NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ccnc3[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
C#Cc1ncc(OC[C@@H]([NH3+])Cc2c[nH]c3ccccc23)cc1-c1ccc2cnccc2c1,0.0
[NH3+]C1(Cc2ccc(Cl)cc2)CCN(c2ccnc3n[nH]cc23)CC1,0.0
O=S(=O)(NCC[NH2+]CCOCc1ccc(Cl)cc1)c1cccc2cnccc12,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)c2cccnc2)c[nH]1,0.0
NS(=O)(=O)c1cccc2cnccc12,0.0
[NH3+]C1(c2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
[NH3+]C[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)c2ccncc2)c[nH]1,0.0
Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)CC[NH+]2CCCCC2)c[nH]1,0.0
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(c2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)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)cc12,0.0
[NH3+]CC1(c2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ccnc3[nH]ccc23)CC1,0.0
[NH3+]C[C@H](c1ccc(Cl)cc1)c1ccc(-c2cn[nH]c2)cc1,0.0
[NH3+]CC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
NC1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
Clc1ccc(C2(c3ccc(-c4ncnc5nc[nH]c45)cc3)CC[NH2+]CC2)cc1,0.0
[NH3+]CC1(Cc2ccc(Cl)cc2)CCN(c2ncnc3[nH]cnc23)CC1,0.0
[NH3+]C1(C(=O)NCc2ccc(Cl)cc2)CCN(c2ncnc3nc([O-])[nH]c23)CC1,0.0
NC1(C(=O)N2CCc3ccccc3C2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
O=C1NC(=O)/C(=C/c2ccc(-c3cc(=O)c4ccccc4o3)cc2)S1,0.0
O=C([O-])Cn1cc(CCc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21,0.0
O=C([O-])Cc1nn(CCc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ccccc12,0.0
Cc1ccccc1-c1noc(Cn2nc(CC(=O)[O-])c3ccccc3c2=O)n1,0.0
O=C1NC(=O)/C(=C/c2ccc3oc(-c4ccccc4)cc(=O)c3c2)S1,0.0
O=C([O-])Cc1nn(Cc2nc3cc(C(F)(F)F)ccc3s2)c(=O)c2ncccc12,0.0
O=C([O-])CNS(=O)(=O)c1ccc(NC(=O)/C=C/c2ccccc2)cc1,0.0
O=C([O-])Cc1cccc(Cc2nc3c(F)c(F)cc(F)c3s2)c1,0.0
O=C([O-])Cc1nn(Cc2csc(-c3ccccc3F)n2)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(Cc2cc(-c3ccccc3)ns2)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(Cc2ncc(-c3ccccc3)o2)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(Cc2nc(-c3ccccc3)cs2)c(=O)c2ccccc12,0.0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)cc(O)c12,0.0
O=S(=O)(c1ccc([O-])nn1)c1cccc2ccccc12,0.0
O=C([O-])COc1cc(F)ccc1C(=O)NCc1nc2c(F)c(F)cc(F)c2s1,0.0
O=C([O-])Cc1nn(Cc2nc(-c3ccccn3)no2)c(=O)c2ccccc12,0.0
Cc1cccc2c(CC(=O)[O-])nn(Cc3nc4c(ccc5ccccc54)s3)c(=O)c12,0.0
O=C([O-])Cc1ccc2c(c1)OCc1ccccc1C2=O,0.0
O=C(/C=C/c1cc(O)c(O)cc1[N+](=O)[O-])O[C@H](Cc1cc(O)c(O)cc1[N+](=O)[O-])C(=O)[O-],0.0
O=C([O-])CN(Cc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1,0.0
O=C([O-])CN(CCc1ccccc1)C(=O)CCc1nc2c(F)c(F)cc(F)c2s1,0.0
O=C([O-])Cc1nn(Cc2nc3cc(F)cc(F)c3o2)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(CC(=O)Nc2cccc(Cl)c2)c(=O)c2ccccc12,0.0
O=C([O-])COc1cc(Cl)ccc1C(=O)NCc1cccc([N+](=O)[O-])c1,0.0
O=C([O-])CC1c2cc(F)ccc2-c2ccc(F)cc21,0.0
O=C([O-])Cc1nn(Cc2cc3cc(Cl)ccc3o2)c(=O)c2ccccc12,0.0
COc1c(/C=C2\SC(=S)N(CC(=O)[O-])C2=O)ccc2ccccc12,0.0
O=C([O-])Cn1cc(Cc2nc3c(F)c(F)cc(F)c3s2)c2ccccc21,0.0
O=C([O-])Cc1nn(Cc2cc3c(Cl)cccc3s2)c(=O)c2ccccc12,0.0
O=C([O-])Cc1nn(Cc2cn3ccc(Cl)cc3n2)c(=O)c2ccccc12,0.0
Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(F)cc12,0.0
O=C([O-])Cc1nn(Cc2cc3cccnc3s2)c(=O)c2ccccc12,0.0
O=C([O-])CN(C(=O)c1ccc(NC(=O)c2ccccc2)cc1)c1ccccc1,0.0
O=C([O-])Cc1nn(Cc2cc3ccccc3[nH]2)c(=O)c2ccccc12,0.0
O=C([O-])CN1C(=O)S/C(=C\c2cc3ccccc3cc2Cl)C1=O,0.0
O=C([O-])Cc1nn(Cc2nc3cc(F)ccc3s2)c(=O)c2cccnc12,0.0
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
O=C([O-])c1ccc2c(c1)C(=O)N(CCc1ccc(O)cc1)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-])c1ccc2c(c1)C(=O)N([C@H](Cc1c[nH]c3ccccc13)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-])[C@@H](Cc1ccccc1)N1C(=O)c2ccccc2C1=O,0.0
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1Cl,0.0
O=C([O-])c1ccc(NS(=O)(=O)c2ccsc2C(=O)[O-])c(O)c1,0.0
O=C([O-])c1ccc2c(c1)C(=O)N([C@@H](Cc1cn[nH]n1)Cc1cccc3ccccc13)C2=O,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1,0.0
O=C([O-])c1cccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])c1,0.0
O=C([O-])c1ccccc1C(=O)Nc1ccc(Cl)cc1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1cccc([N+](=O)[O-])c1,0.0
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1,0.0
Cc1ccc(S(=O)(=O)Nc2cc(C(=O)[O-])c(C)s2)cc1,0.0
COC(=O)c1sccc1S(=O)(=O)[N-]c1ccc(Cl)c(Cl)c1,0.0
O=C([O-])c1sccc1NS(=O)(=O)c1ccc(Cl)cc1,0.0
CC(C)C[C@H](C(=O)[O-])N1C(=O)c2ccc(C(=O)[O-])cc2C1=O,0.0
O=C([O-])c1sccc1S(=O)(=O)NCc1ccccc1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Br)cc1,0.0
O=S(=O)([O-])CCCSc1nc2ccccc2s1,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccc(Cl)cc1,0.0
O=C([O-])[C@H]1CC(=O)N(c2ccccc2O)C1,0.0
Cc1ccoc1C(=O)Nc1ccccc1C(=O)[O-],0.0
NS(=O)(=O)c1ccccc1C(=O)[O-],0.0
Cc1nc2ccc(P(=O)([O-])[O-])cc2s1,0.0
O=C([O-])CCSc1nc2ccccc2s1,0.0
C[C@H](O)[C@H](C(=O)[O-])N1C(=O)c2ccccc2C1=O,0.0
O=C([O-])c1sccc1S(=O)(=O)[N-]c1ccccc1[N+](=O)[O-],0.0
C[C@](O)(CS(=O)(=O)c1ccc(F)cc1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1,0.0
O=C1[C@@H]2[C@H](C(=O)N1c1ccc3ccccc3c1)[C@H]1C=C[C@@H]2C1,0.0
CC1(C)OC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,0.0
CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,0.0
O=C1[C@@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C(=O)N1c1ccc2ccccc2c1,0.0
C[C@](O)(COC(=O)c1ccccc1C(F)(F)F)c1cc2cc([N+](=O)[O-])c(C(F)(F)F)cc2[nH]1,0.0
N#Cc1ccc(Oc2ccccc2-c2ccccc2)cc1C(F)(F)F,0.0
N#Cc1ccc(-c2ccccc2O)cc1C(F)(F)F,0.0
CCCCN(CCCC)c1ccc(/C=C2\C(=O)ON=C2c2ccccc2)cc1,0.0
CC1(C)OC(=O)Nc2ccc(-c3csc(C#N)c3)cc21,0.0
CC1(C)OC(=O)Nc2ccc(-c3coc(C#N)c3)cc21,0.0
Cn1c(C#N)ccc1-c1ccc(C(=O)C(C)(C)C)cc1,0.0
Cn1c(C#N)ccc1-c1cc(F)c2c(c1)C(C)(C)C(=O)N2,0.0
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
CC1(C)OC(=S)Nc2ccc(-c3csc(C#N)c3)cc21,0.0
O=c1cc(C(F)(F)F)c2cc(N(CC(F)(F)F)CC(F)(F)F)ccc2[nH]1,0.0
C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccc(F)cc1F,0.0
C[C@]12CCCN1c1cc3[nH]c(=O)cc(C(F)(F)F)c3cc1CC2,0.0
Cn1c2c(c3ccc(O)cc31)CCc1ccccc1-2,0.0
O=c1cc(C(F)(F)F)c2cc(N(CC3CC3)CC(F)(F)F)ccc2[nH]1,0.0
N#Cc1ccc(SCC2CCC2)cc1C(F)(F)F,0.0
O=c1cc(C(F)(F)F)c2cc(N(CC3CC3)CC3CC3)ccc2[nH]1,0.0
CC1=CC(C)(C)Nc2ccc(-c3csc(C#N)c3)cc21,0.0
O=c1cc(C(F)(F)F)c2c3c(ccc2[nH]1)-c1ccccc1CO3,0.0
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
CCN(CC(F)(F)F)c1ccc2[nH]c(=O)cc(C(F)(F)F)c2c1,0.0
C[C@@H]1CN(c2ccc(C#N)c(C(F)(F)F)c2)[C@@H](C)CN1C(=O)Nc1ccncc1,0.0
Cc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@H]2C=C[C@@H]3CC2)ccc1Br,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=C(Nc1ccc(F)cc1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
COc1cccc(-c2cccc(CC[C@]3(C)CC(=O)N(C)C(N)=[NH+]3)c2)c1,0.0
O=C(/N=c1/[nH]c2ccc(F)cc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
O=C(Nc1ccncc1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
CCc1cn2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)[C@@H](O)C[NH2+]C4CC4)cc13)OS(=O)(=O)CC2,0.0
O=C(Nc1nc2c[nH+]ccc2[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCC(F)(F)F)cc2c1CCCS(=O)(=O)N2C,0.0
CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CC[NH2+]2)c1,0.0
CS(=O)(=O)N(c1ccccc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)c1,0.0
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
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
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+][C@]1(c2cccc(-n3cccn3)c2)CCCOC1,0.0
CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OC)c(OC)cc3oc2=O)cc1,0.0
CCc1cn2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)[C@@H](O)C[NH2+]CC4CCOCC4)cc13)OS(=O)(=O)CC2,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-c3ccoc3)c2)CCCCC1,0.0
CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]CCc2ccccc2)cc(N2CCCC2=O)c1,0.0
CCn1cc2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)[C@@H](O)C[NH2+]CCC(F)(F)F)cc31)N(C)S(=O)(=O)CC2,0.0
CC(C)C(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc(N(C)S(C)(=O)=O)c1,0.0
CC(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]C1(c2cccc(-n3cccn3)c2)CCCCC1,0.0
CC(C)S(=O)(=O)N(C)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@@H]([NH3+])CF)cc(NC[C@H]2C[C@@H]2C)n1,0.0
CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cnn(CC)c2)cc(N2CCCC2=O)c1,0.0
O=C(/N=c1/[nH]cc(-c2ccncc2)[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(OC)n2)cc(N2CCCC2=O)c1,0.0
C[C@@H](NC(=O)c1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)cc2c1CCCO2)c1ccccc1,0.0
CS(=O)(=O)N(c1ccccc1)c1cccc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CCCCC2)c1,0.0
CN(c1cc(CCC2CC2)cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)c1)S(C)(=O)=O,0.0
CCCCS(=O)(=O)C[C@@H](NC(=O)OC)C(=O)N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)C[NH2+]Cc1cccc(CC)c1,0.0
CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)C[NH2+]Cc2cccc(CC)c2)c1,0.0
Cc1ccoc1C(=O)Nc1cccc([C@@]2(C3CCCCC3)NC(=[NH2+])N(C)C2=O)c1,0.0
CCNc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+][C@H]2CCc3ccccc32)cc(N2CCCC2=O)c1,0.0
CCc1cn2c3c(cc(C(=O)N[C@@H](Cc4ccccc4)[C@H](O)C[NH2+]C4CC4)cc13)N(C)S(=O)(=O)CC2,0.0
CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)OCO4)n2)c1,0.0
CC(=O)Nc1cccc(-c2cncc(Nc3ccc4c(c3)C(=O)OC4)n2)c1,0.0
CC(=O)Nc1cccc(-c2cncc(Nc3cc(Cl)nc(Cl)c3)n2)c1,0.0
Cn1nc(C(C)(C)C)cc1NC(=O)Nc1ccc(Oc2ccncc2)cc1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(Cc3ccncc3)cc2)no1,0.0
CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccccc1NCc1ccncc1,0.0
O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)c1cccc(C(F)(F)F)c1,0.0
CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)NC3CCCCC3)c2)n1,0.0
Cn1cncc1-c1cc2nccc(-c3cccc(NC(=O)c4cccc(C(F)(F)F)c4)c3)n2n1,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3cccc(OC)c3)c2)n1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)on1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(Oc3ccncc3)cc2)no1,0.0
O=C(Nc1ccc(OCCN2CCOCC2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)NCc3ccccc3)c2)n1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
CC(=O)Nc1cccc(-c2cncc(Nc3cccc(-c4cnco4)c3)n2)c1,0.0
O=C(Nc1ccc2c(c1)CCC2)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
CNc1nccc(-c2[nH]c(C3CC3)[nH+]c2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1,0.0
CNc1ncc2cc(-c3c(C)ccc4c(Nc5cc(C(C)(C)C)nn5C)[nH+]ccc34)ccc2n1,0.0
O=C(Nc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1cc[nH+]c(NCCc2c[nH]c[nH+]2)c1,0.0
CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc6c(c5)NC(=O)C6(C)C)nccc34)ccc2n1,0.0
Cn1ncc(-c2ccc3c(c2)CC/C3=N\O)c1-c1ccncc1,0.0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)C3CC3)ccc12,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2cnco2)n1,0.0
O=C(Nc1ccc(Cl)c(C(F)(F)F)c1)Nc1ccc(OCCN2CCOCC2)c2ccccc12,0.0
O=C(Nc1cccc(-c2ccnc3cc(-c4ccncc4)nn23)c1)Nc1cccc(C(F)(F)F)c1,0.0
CNc1nccc(-c2[nH]c(C3CC3)[nH+]c2-c2cccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)c2)n1,0.0
O=C1NCCN1CCNc1nccc(-c2[nH]c(C3CC3)nc2-c2cc(Cl)ccc2Cl)n1,0.0
CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
CNc1nccc(-c2[nH]c(C(F)(F)F)nc2-c2cccc(NC(=O)Cc3ccc(Cl)cc3)c2)n1,0.0
Cn1cc(-c2ccc3c(c2)Cc2c[nH]nc2-3)c(-c2ccncc2)n1,0.0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,0.0
CNc1ncc2cc(-c3cc(C(=O)Nc4cccc(C(F)(F)F)c4)ccc3C)ccc2n1,0.0
CNC(=O)c1cccc(Oc2ccc(NC(=O)Nc3cc(C(C)(C)C)on3)cc2)c1,0.0
NS(=O)(=O)c1ccc2c(c1)C[C@@H](NC(=O)c1c(F)c(F)c(F)c(F)c1F)C2,0.0
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)c1nnc(NC(=O)C[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1,0.0
NS(=O)(=O)c1ccc(NC(=O)c2cc3ccccc3oc2=O)cc1,0.0
NS(=O)(=O)c1nc2ccc(OS(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,0.0
NS(=O)(=O)c1ccc(NNC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1nc2ccc(NC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,0.0
NS(=O)(=O)c1ccc(CCOC(=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)c1ccc(C(=O)NC[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1,0.0
NS(=O)(=O)c1ccc(C(=O)NCc2cccc3ccccc23)cc1,0.0
NS(=O)(=O)c1ccc(NNCc2cc(=O)oc3cc(Cl)ccc23)cc1,0.0
NS(=O)(=O)c1ccc(CCN2C(=O)c3cccnc3C2=O)cc1,0.0
NS(=O)(=O)c1ccc(/N=C/c2coc3ccccc3c2=O)cc1,0.0
NS(=O)(=O)c1ccc(-c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)cc1,0.0
NS(=O)(=O)c1ccc(COC(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
Cc1ccccc1-c1cn(-c2ccc(S(N)(=O)=O)cc2)nn1,0.0
NS(=O)(=O)c1ccc(NNS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1ccc(CNC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1ccc(CNCc2cc(=O)oc3cc(Cl)ccc23)cc1,0.0
COc1ccc2c(CC(=O)NNc3ccc(S(N)(=O)=O)cc3)cc(=O)oc2c1,0.0
NS(=O)(=O)c1ccc(NC(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,0.0
NS(=O)(=O)c1ccc(CCNC(=O)c2cccc(C(=O)[O-])n2)cc1,0.0
NS(=O)(=O)c1ccc(COS(=O)(=O)c2c(F)c(F)c(F)c(F)c2F)cc1,0.0
NS(=O)(=O)c1ccc(CNC(=O)Cc2ccccc2)cc1,0.0
NS(=O)(=O)c1ccc(NC(=O)c2cccc(C(=O)[O-])n2)c(F)c1,0.0
NS(=O)(=O)c1ccc(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc1,0.0
Cc1cc(C)[n+](CC(=O)Oc2ccc3nc(S(N)(=O)=O)sc3c2)c(C)c1,0.0
NS(=O)(=O)c1ccc(-n2cc(C[S@](=O)[C@@H]3O[C@H](CO)[C@H](O)[C@H](O)[C@H]3O)nn2)cc1,0.0
NS(=O)(=O)c1nnc([N-]S(=O)(=O)c2ccc([N-]S(=O)(=O)c3c(F)c(F)c(F)c(F)c3F)cc2)s1,0.0
NS(=O)(=O)c1ccc(CCNC(=O)CN2C(=O)c3ccccc3C2=O)cc1,0.0
NS(=O)(=O)c1ccc(CCNC(=O)Cc2ccccc2)cc1,0.0
CCCC(CCC)C(=O)N[C@@H]1Cc2ccc(S(N)(=O)=O)cc2C1,0.0
NS(=O)(=O)c1ccc(CONC(=O)c2cccc(C(=O)[O-])n2)cc1,0.0
NS(=O)(=O)c1ccc(CCNCc2ccccc2F)cc1,0.0
O=C(Nc1cccc2c1C(=O)C(=O)NC2=O)OCc1ccccc1,0.0
O=C(CCC(=O)N1CCCCC1)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0.0
CC1(C)C[NH+]=C2C(=O)c3cc([N-]S(=O)(=O)c4ccccc4F)ccc3N2C1,0.0
O=C1NC(=O)c2ccc(NC(=O)c3ccc([N+](=O)[O-])cc3)cc2C1=O,0.0
O=C1NC(=O)c2ccc(NC(=O)C3CCCCC3)cc2C1=O,0.0
O=C1NC(=O)c2cc(NC(=O)c3ccccc3)ccc2C1=O,0.0
O=C1NC(=O)c2cccc(NC(=O)c3cccc([N+](=O)[O-])c3)c2C1=O,0.0
O=C1C(=O)N(CCc2ccccc2)C(=O)c2ccccc21,0.0
FC(F)(F)c1ccc(-c2noc(-c3occc3Cl)n2)cc1,0.0
O=C(CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O)NCc1ccccc1,0.0
CC(C)C[C@H](NC(=O)CC(=O)c1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)CCOc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
FC(F)(F)c1ccc(-c2noc(-c3sccc3Cl)n2)cn1,0.0
CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3ccccc3)ccc21,0.0
CC(C)C[C@H](NC(=O)CSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)CSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)CCOc1ccc2ccccc2c1)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[C@H](NC(=O)COc1ccc2c(c1)CCCC2)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=[NH+]CC3(CCC3)CN12,0.0
CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)ccc21,0.0
CC(C)C[C@@H](NC(=O)CNc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)CCSc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)CCSc1ccc2ccccc2c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)COc1cccc2cccnc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CNc3ccccc3)cc2C1=O,0.0
CC(C)C[C@H](NC(=O)COc1ccc(C2CCCC2)cc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)COc1ccccc1Cc1ccccc1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)Cc1cccc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)COc1ccnc2ccccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC1(C)C[NH+]=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4ccccn4)ccc3N2C1,0.0
O=C1C(=O)N(Cc2ccnc(F)c2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0.0
CN1C(=O)C(=O)c2cc(S(=O)(=O)N3CCC[C@H]3COc3cccnc3)ccc21,0.0
CC(C)C[C@H](NC(=O)COc1cccc2ncccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CC(C)C[C@H](NC(=O)COc1cccc2c1CCCC2)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C1C(=O)N(Cc2cccc(F)n2)c2ccc(S(=O)(=O)N3CC[C@H]3COc3ccccc3)cc21,0.0
CCOc1cccc(NC(=O)CCC(=O)Nc2ccc3c(c2)C(=O)C(=O)NC3=O)c1,0.0
O=C1Nc2ccc(S(=O)(=O)N3CCC[C@H]3CSc3ccccc3)cc2C1=O,0.0
CC1(C)C[NH+]=C2C(=O)c3cc(S(=O)(=O)N4CCC[C@H]4COc4ccccc4)ccc3N2C1,0.0
CC(C)C[C@H](NC(=O)COc1cccc2cnccc12)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
O=C1NC(=O)c2cccc(NC(=O)C3CC3)c2C1=O,0.0
c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCO5)n3)c2c1,0.0
NS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4ccccn34)n2)cc1,0.0
Clc1cccc(Nc2nccc(-n3cnc4ccccc43)n2)c1,0.0
c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCCO5)n3)c2c1,0.0
NS(=O)(=O)c1ccc(NC(=O)c2n[nH]c3ccccc23)cc1,0.0
O=[N+]([O-])c1cccc(Nc2nccc(-c3cnn4ncccc34)n2)c1,0.0
O=C(Cc1ccc2ccccc2c1)Nc1cc(C2CC2)[nH]n1,0.0
O=C(Cc1cccc2ccccc12)Nc1cc(C2CC2)[nH]n1,0.0
Nc1ccc(-c2cc(Nc3ccc(S(N)(=O)=O)cc3)[nH]n2)cc1,0.0
O=C(Cc1cccc2cnccc12)Nc1ncc(C2CCC2)s1,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCNC3=O)C(=O)N2,0.0
NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3ccc4n[nH]nc4c32)cc1,0.0
O=C(Cn1ccc2ccccc21)Nc1ncc(C2CCC2)s1,0.0
O=C(Cc1ccccc1)Nc1ncc(C2CCCCC2)s1,0.0
Cc1ccc(F)c(Nc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)n2)c1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nc(OCC2CCCCC2)c1N=O,0.0
O=C(Nc1n[nH]c2cc(-c3ccc(O)cc3)ccc12)C1CC1,0.0
O=C1N=C([N-]Cc2cccs2)S/C1=C\c1ccc2ncccc2c1,0.0
O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2[nH]nnc12,0.0
CC(C)Cc1cccc2c1/C(=N/Nc1ccc(S(N)(=O)=O)cc1)C(=O)N2,0.0
O=C(Cc1c[nH]c2ccccc12)Nc1ncc(C2CCC2)s1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=S)Nc1c(F)cccc1F,0.0
Cc1nc(N)sc1-c1ccnc(Nc2cccc([N+](=O)[O-])c2)n1,0.0
c1cc(Nc2nccc(-c3cnn4ncccc34)n2)cc(-c2cocn2)c1,0.0
O=C(Cc1ccccc1)Nc1ncc(C2CCCC2)s1,0.0
O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2cnccc12,0.0
[NH3+][C@H](CNc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
O=C(Nc1cc(C2CCC2)[nH]n1)c1ccc(Br)cc1,0.0
OCCCNc1cc(-c2ncnc(Nc3cccc(Cl)c3)n2)cc[nH+]1,0.0
O=C(Nc1ccc2cnccc2c1)Nc1ncc(C2CCC2)s1,0.0
Cn1nccc1CNC(=O)c1ccc2cc(-c3n[nH]cc3-c3ccccc3)[nH]c2c1,0.0
O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2ccncc12,0.0
[NH3+][C@H](CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
O=C(/C=C/c1cc(O)c(O)c([N+](=O)[O-])c1)c1ccccc1,0.0
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
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(CCCCc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],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
Cc1ccc(C(=O)c2cc(O)c(O)c([N+](=O)[O-])c2)cc1,0.0
O=C(NCCCNC(=O)c1ccc(O)c(O)c1)c1ccc(O)c(O)c1,0.0
CCCC(=O)O[C@H](C)OC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CC(C)[C@@H](N)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
COc1cc(C(=O)/C=C/c2cc(O)c(O)c([N+](=O)[O-])c2)cc(OC)c1OC,0.0
CC(C)C(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
O=C(Cc1ccccc1)c1cc(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
O=C(OCc1coc(=O)o1)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
O=C([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
CCN(CC)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
CN(C)C(=O)/C(C#N)=C/c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
CCCCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
CCCNC(=O)c1cc(O)c(O)c(O)c1,0.0
CCCOC(=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
CCOC(=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
O=[N+]([O-])c1cc(CO)cc(O)c1O,0.0
O=[N+]([O-])c1cc(Cl)cc(O)c1O,0.0
O=C([O-])c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
O=[N+]([O-])c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
O=Cc1cc(O)c(O)c(C=O)c1,0.0
N#Cc1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
O=Cc1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
N#CC(C#N)=Cc1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
Cc1n[nH]c2cc(N(C)c3cc[nH+]c(Nc4cccc(S(N)(=O)=O)c4)n3)ccc12,0.0
O=C(CCc1noc2c1ccc1cc(O)ccc12)Nc1ccccc1C(=O)[O-],0.0
O=C(NCc1cccc2ccccc12)c1cc(-c2cccnc2)nc2ccccc12,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=O)Nc3cccc(OC)c3)c2)n1,0.0
O=C(CCc1ccc(-c2ccc(O)cc2Cl)cc1)Nc1ccccc1C(=O)[O-],0.0
c1ccc(CCCOc2ccc(-n3ccnc3)cc2)nc1,0.0
O=C(NCc1ccccc1OC(F)(F)F)N1CCC(Oc2cc[nH+]cc2)CC1,0.0
c1cncc(CCCOc2ccc(-n3ccnc3)cc2)c1,0.0
c1cc(CCCOc2ccc(-n3ccnc3)cc2)ccn1,0.0
c1ccc(COc2ccc(-n3ccnc3)cc2)nc1,0.0
CC[C@@](C)(Cc1ccc(OCCCOc2ccc(CC(F)(F)F)cc2Cl)cc1)C(=O)[O-],0.0
Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl,0.0
Nc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1,0.0
CCCCOc1ccc(-c2ccncc2)cc1,0.0
CCc1oc2ccccc2c1C(=O)c1cc(C)c(O)c(C)c1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
C[C@@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1ccccc1,0.0
CCCCOc1ccc(-n2cncc2C)cc1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
CCCCOc1ccc(-c2ccns2)cc1,0.0
CCCCOc1ccc(-n2ccnc2)cc1,0.0
[NH3+]Cc1ccc(-c2ccccc2)s1,0.0
O=C(Nc1ccccc1)c1cc(-c2ccncc2)nc2ccccc12,0.0
C[C@H](O)C[C@H](c1ccccc1)c1c([O-])oc2ccccc2c1=O,0.0
Cc1cc(-c2ccc(-c3cccc(O)c3)s2)ccc1O,0.0
Oc1cccc(-c2ccc(Cc3ccncc3)cc2)c1,0.0
Oc1ccc(-c2ccc3c(c2)CCC=C3c2ccncc2)cc1O,0.0
Oc1ccc(-c2ccc3c(c2)CCC[C@@H]3c2ccncc2)cc1O,0.0
CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl,0.0
CC(C)[N@@H+](C)[C@H](C)[C@@H](c1ccc2cc(OCC3(C(=O)[O-])CCCC3)ccc2c1)n1cc[nH+]c1,0.0
Oc1cccc(-c2cnc(-c3cccc(O)c3)s2)c1,0.0
O=C(c1cccc(Cl)c1)c1cc(Cc2ccc([O-])nn2)cc2ccoc12,0.0
N[C@@H](C(=O)N1CCC(Nc2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1,0.0
Clc1ccc(Cn2cc(-c3ccncc3)cn2)c(Cl)c1,0.0
[O-]c1ccc(Cc2cc(Oc3cccc(Cl)c3)c3occc3c2)nn1,0.0
c1ccc(CCCOc2ccc(-n3ccnc3)cc2)nc1,0.0
FC(F)(F)c1ccccc1-c1cccc(-c2c[nH]cn2)c1,0.0
c1cncc(CCCOc2ccc(-n3ccnc3)cc2)c1,0.0
O=C(NCc1ccncc1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F,0.0
c1cc(CCCOc2ccc(-n3ccnc3)cc2)ccn1,0.0
c1ccc(COc2ccc(-n3ccnc3)cc2)nc1,0.0
Cc1n[nH]c(C)c1CC(=O)NCc1ccc(Cl)cc1Cl,0.0
Cc1cccc2[nH]c(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)nc12,0.0
c1cn(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)cn1,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,0.0
Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,0.0
Cc1n[nH]c2cnc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
Cc1n[nH]c2ccc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
CCCCOc1ccc(-n2cncc2C)cc1,0.0
CCCCOc1ccc(-c2c[nH]c[nH+]2)cc1,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(=O)Nc5ccncc5)cccc4c3)c2cc1OC,0.0
COc1ccc(CCCO[C@H](Cn2cc[nH+]c2)c2ccc(OC)cc2)cc1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4cnn(C)c4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
Cc1n[nH]c2ncc(-c3cc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,0.0
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH+][nH]c(N)c34)cc2)c1,0.0
Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,0.0
O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,0.0
O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2ccncc2c1,0.0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1,0.0
Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1,0.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)C4CCCC4)cc3)ccc2c1Nc1ccccc1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
COc1ccc(COc2ncc(Oc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,0.0
Cc1cc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)ccn1,0.0
Cc1ccc(Nc2nc(N(C)c3ccc4c(C)n(C)nc4c3)cc[nH+]2)cc1S(N)(=O)=O,0.0
COc1ccc(COc2ccc(Cc3cnc(N)nc3N)cc2OC)cc1,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
Nc1[nH+]cc(-c2cccnc2)c2scc(-c3ccc(F)c(Cl)c3)c12,0.0
O=C(Nc1cccc(Cl)c1)Nc1ncc(CCNc2ncnc3ccsc23)s1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1NC(=O)c1cccnc1,0.0
COc1ccc(COc2ccc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,0.0
Cc1cncc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Br)c3)c2)c1,0.0
CNC(=O)c1cc(Oc2ccc(NC(=O)Nc3ccc(Cl)c(C(F)(F)F)c3)cc2)ccn1,0.0
COc1ccc(COc2ncc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,0.0
O=C(Nc1ccc(Cl)c(C(=O)Nc2cccnc2)c1)c1ccc(Cl)c(Cl)c1,0.0
COc1cc2ncnc(N(C)c3cccc(C)c3)c2cc1OC,0.0
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(C(N)=O)s3)c2cc1OC,0.0
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCC[N@H+]1CC[C@H](O)CC1,0.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)N4CCCCC4)cc3)ccc2c1Nc1ccccc1,0.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)N4CCOCC4)cc3)ccc2c1Nc1ccccc1,0.0
NC(=O)c1cnc2cc(-c3ccncc3)ccc2c1Nc1ccccc1,0.0
Cn1cc(-c2cnc(N)c(NCc3c(Cl)cccc3Cl)n2)cn1,0.0
C[NH+]1CCN(c2ccc(Nc3ncc4c(=O)c(C(N)=O)cn(C5CCCCC5)c4n3)cc2)CC1,0.0
O=C(Nc1ccccc1N1CCCCC1)c1ccno1,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
Cc1ccc(Nc2c(C(N)=O)cnc3cc(-c4ccc(S(C)(=O)=O)cc4)ccc23)cc1C,0.0
COc1cc2c(Nc3ccc(F)c(Cl)c3)c(C(N)=O)cnc2cc1OCC[NH+]1CCCC1,0.0
CN(Cc1nc2ccccc2n1CCC[NH3+])[C@@H]1CCCc2cccnc21,0.0
CN(Cc1[nH+]cc2ccccc2c1CCC[NH+](C)C)[C@H]1CCCc2cccnc21,0.0
[NH3+]CCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]C/C=C/CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
N#CCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(NC1CCCC1)=[NH+]\C1CCCC1)CCN2,0.0
[NH3+]C/C=C\CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(N[C@]13C[C@H]4C[C@H](C[C@H](C4)C1)C3)=[NH+]\C1CCCCC1)CCN2,0.0
C[NH2+]CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
c1sc2[n+](c1CS/C(NC1CCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
C[NH+](C)CCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
[NH3+]CCCCCCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
CN(Cc1nc2ccccc2n1[C@H]1CC[N@H+](C)CC1)[C@@H]1CCCc2cccnc21,0.0
CN(/C(=[NH+]/C1CCCCC1)SCc1csc2[n+]1CCN2)C1CCCCC1,0.0
c1sc2[n+](c1CS/C(NC1CCCCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
[NH3+]Cc1ccc(CN(Cc2nc3ccccc3[nH]2)[C@@H]2CCCc3cccnc32)cc1,0.0
CCCCCCN/C(=[NH+]/C1CCCCC1)SCc1csc2[n+]1CCN2,0.0
CC1(C)C[n+]2c(CS/C(NC3CCCCC3)=[NH+]\C3CCCCC3)csc2N1,0.0
CC(C)[N@@H+]1CCC[C@H](Cn2c(CN(C)[C@H]3CCCc4cccnc43)nc3ccccc32)C1,0.0
c1sc2[n+](c1CS/C(NC1CCCCCC1)=[NH+]\C1CCCCC1)CCN2,0.0
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
c1ccc(C[NH2+]Cc2ccc(CN(Cc3nc4ccccc4[nH]3)[C@@H]3CCCc4cccnc43)cc2)nc1,0.0
CC(C)(C)[C@H]1CC[C@H](N/C(=[NH+]/C2CCCCC2)SCc2csc3[n+]2CCN3)CC1,0.0
c1ccc(C[NH2+]Cc2ccc(CN3CCC[NH2+]CCNCCC[NH2+]CC3)cc2)nc1,0.0
CC1(C)C[n+]2c(CS/C(NC3CCCCCC3)=[NH+]\C3CCCCCC3)csc2N1,0.0
c1sc2[n+](c1CS/C(NC1CCCCCC1)=[NH+]\C1CCCCCC1)CCN2,0.0
c1sc2[n+](c1CS/C(NC1CCCCCCC1)=[NH+]\C1CCCCCCC1)CCN2,0.0
[NH3+]Cc1ccccc1CN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
c1cc(C[N@H+]2CCCNCCNCC[NH2+]CCC2)ccc1CN1CCCNCCNCC[NH2+]CCC1,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccccc1F,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1cccc2ccccc12,0.0
COc1cccc([C@@H](NCc2cccc(C(F)(F)F)c2)C(=O)NO)c1,0.0
O=C(CN1Cc2c(cccc2C(F)(F)F)NC1=O)NO,0.0
O=C(CN1Cc2c(Br)cccc2NC1=O)NO,0.0
O=C(CN1Cc2c(Cl)cccc2NC1=O)NO,0.0
CCCC[C@H](CC(=O)NO)S(=O)(=O)c1ccc2ccccc2c1,0.0
O=C(C[C@@H]1Cc2ccccc2NC1=O)NO,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1cc2ccccc2o1,0.0
O=C(CNO)Cc1c[nH]c2ccc(Br)cc12,0.0
O=C(CNO)Cc1c[nH]c2ccc(Cl)cc12,0.0
CCCCC[C@H](CC(=O)NO)C(=O)N[C@H](C(=O)N1CCC[C@H]1CO)C(C)C,0.0
O=C(CN1Cc2c(Cl)cccc2N(CCCc2ccccc2)S1(=O)=O)NO,0.0
O=C(CN1Cc2c(cccc2C(F)(F)F)NS1(=O)=O)NO,0.0
O=C(C[C@H](c1ccco1)S(=O)(=O)c1ccccc1)NO,0.0
O=C(C[C@H]1Sc2ccccc2NC1=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2N(CCC2CCCCC2)C1=O)NO,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(O)cc1,0.0
CCCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
O=C(C[C@@H]1Cc2ccccc2N(CC2CC2)C1=O)NO,0.0
CCCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
O=C(C[C@@H]1Sc2ccccc2N(CCc2ccccc2)C1=O)NO,0.0
CC(C)(C)[C@H](NC(=O)[C@H](CC1CCCC1)CN(O)C=O)C(=O)c1ccc(F)cc1,0.0
COc1ccc(C(=O)[C@@H](NC(=O)[C@H](CC2CCCC2)CN(O)C=O)C(C)(C)C)cc1,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1cc2ccccc2o1)C(C)(C)C,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCC(Cc2ccccc2)CC1)C(C)(C)C,0.0
CCC[C@H](CN(O)C=O)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
O=C(CN1Cc2c(Cl)cccc2NS1(=O)=O)NO,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccc(OC)cc1)C(C)(C)C,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)N2CCCC2)C1=O)NO,0.0
O=C(C[C@H]1Sc2ccccc2N(CC2CCCCC2)C1=O)NO,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccccn1)C(C)(C)C,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccccc1)C(C)(C)C,0.0
O=C(C[C@H]1Sc2ccccc2N(CC2CC2)C1=O)NO,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@@H](CC1CCCCC1)C(=O)N(C)C,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)N1CCN(C)CC1)C(C)(C)C,0.0
CC1CCN(C(=O)c2cccc(Nc3ccccc3Cl)n2)CC1,0.0
O=C(N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)N1CCC[C@@H](Cc2ccccc2)C1,0.0
CC1CCN(C(=O)c2cccc(Oc3ccccc3Cl)n2)CC1,0.0
O=C(N1CCC2(CCCCC2)C1)C1(c2ccccc2)CC1,0.0
Cn1c(-c2ccc(Cc3ccccc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1,0.0
Cc1ccc2ccccc2c1-c1nnc(-c2ccccc2C(F)(F)F)n1C,0.0
O=C(N1CCC2(CCCCC2)C1)C1(c2ccccn2)CC1,0.0
CC1CCN(C(=O)c2cc(CS(=O)(=O)c3c(Cl)cccc3Cl)ccn2)CC1,0.0
Cn1c(-c2ccc(Oc3ccccc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1,0.0
COc1cc(Cl)nc(C(=O)N2CCC(n3c(=O)[nH]c4ccccc43)CC2)c1,0.0
COc1c(-c2nnc(-c3ccccc3C(F)(F)F)n2C)ccc2ccccc12,0.0
CC1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)n2)CC1,0.0
CC1CCN(C(=O)c2cccc(CS(=O)(=O)c3c(Cl)cccc3Cl)c2)CC1,0.0
Cn1c(-c2ccccc2)nnc1-c1ccc2c(ccn2C)c1,0.0
O=C(N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)N1CCC(c2ccccc2)CC1,0.0
Cc1nc2ccccc2n1-c1ccc(-c2nnc(C3(c4ccc(Cl)cc4)CCC3)n2C)c(Cl)c1,0.0
C[C@@H]1CN(C(=O)c2ccc(CNS(=O)(=O)c3cccc(Cl)c3)cc2)C[C@H](C)O1,0.0
O=C(CS(=O)(=O)c1ccccc1)c1ccc(-c2ccc(Cl)cc2Cl)o1,0.0
O=C(CCc1ccccc1)CCc1nnnn1-c1ccccc1,0.0
O=C(NC1CCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1,0.0
Cn1c(-c2ccc(-n3cccc3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1,0.0
Cc1ccccc1-n1nnnc1CCC(=O)c1ccccc1,0.0
Cn1c(-c2ccc(-c3nccs3)cc2)nnc1C1(c2ccc(Cl)cc2)CCC1,0.0
O=C(CCc1cnnn1C1CCCC1)c1ccccc1,0.0
CC1CCN(C(=O)c2cncc(CS(=O)(=O)c3c(Cl)cccc3Cl)c2)CC1,0.0
CC(C)(CC(=O)N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)Cc1nc(C2CC2)no1,0.0
O=C(c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1)N1CCCCC1,0.0
CC1CCN(C(=O)c2ccnc(CS(=O)(=O)c3c(Cl)cccc3Cl)c2)CC1,0.0
CC(C)[C@H]1SC([N-]c2ccc(Oc3ccccc3)cc2)=NC1=O,0.0
[NH3+][C@H]1CN(c2ccc3ccccc3[nH+]2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
NC(=O)c1cccc(NC(=O)C2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H]([NH3+])C2)c1,0.0
[NH3+][C@@H](CC(=O)N1CCc2c(n[nH]c2C(F)(F)F)C1)Cc1cc(F)ccc1F,0.0
[NH3+][C@H]1CN(c2ccc3nccnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CCc2c(noc2C(F)(F)F)C1)Cc1cc(F)ccc1F,0.0
NC(=O)c1cccc(OCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H]([NH3+])C2)c1,0.0
N#C[C@@H]1CCCN1C(=O)[C@@H]1C[C@@H]([C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)C[NH2+]1,0.0
NC(=O)c1cccc(NCC2=CC[C@H](c3cc(F)c(F)c(F)c3)[C@@H]([NH3+])C2)c1,0.0
C[C@@H](c1ccc(-c2cccc(-c3nnn[n-]3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,0.0
[NH3+][C@H]1CN(c2cnc3cncnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
C[C@@H](c1ccc(-c2cccc(-c3nnco3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,0.0
[NH3+][C@H]1C[C@@H](N2CCn3c(nnc3C(F)(F)F)C2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1CN(c2cnc3nccnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1CN(c2ccc3ncnc(C4CC4)c3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cc3ccccc3cn2)CC1,0.0
Cn1nc(C(F)(F)F)c2c1CN(C(=O)C[C@H]([NH3+])Cc1cc(F)ccc1F)CC2,0.0
C[C@@H]1c2nc(C(F)(F)F)n(C)c2CCN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2ccc(F)cc2F)CC1,0.0
C[C@@H](c1ccc(-c2cccc(-c3n[nH]c(=O)[nH]3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,0.0
C[C@@H](c1ccc(-c2cccc(-c3noc([O-])n3)c2)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,0.0
Cn1nc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H]([NH3+])C3)nn2c1=O,0.0
[NH3+][C@@H](C(=O)N1CCC[C@H]1C(=O)c1nc2ccccc2s1)C1CCCCC1,0.0
[NH3+][C@@H](CC(=O)N1CCn2c(nnc2C2CC2)C1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1CN(CCc2cccc(C(=O)[O-])c2)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1CN(c2cnc3ccccc3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+][C@H](C(=O)N1CCCC1)[C@H]1CC[C@H](NC(=O)c2cccc3ccccc23)CC1,0.0
[NH3+][C@H]1CN(c2ccn3cnnc3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
N#C[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCC(=O)N1Cc2ccccc2C1,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1CNC(=O)C1CCCC1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@H]1CN(c2ccc3nc(C(F)(F)F)nn3n2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
N#C[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCC(=O)N1Cc2ccccc2C1,0.0
[NH3+][C@@H](C(=O)N1CC[C@H]1C(=O)c1nc2ccccc2s1)C1CCCCC1,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1CNc1ccc(C(F)(F)F)nc1)Cc1cc(F)c(F)cc1F,0.0
[NH3+][C@@H](CC(=O)N1CCC[C@H]1COc1ccnc(C(F)(F)F)n1)Cc1cc(F)c(F)cc1F,0.0
C[C@@H](c1ccc(-c2ccncc2Cl)cc1)[C@H](N)C(=O)N1CC[C@H](F)C1,0.0
[NH3+][C@H]1CN(c2cccnn2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
Cc1[nH]c2ccccc2c1CCC[N@H+]1CC[C@H](c2noc3cc(F)ccc32)CC1,0.0
CC1(C)[C@@H]2CC[C@]13CC[N@@H+](CCN1CCN(c4cccc(Cl)c4)C1=O)[C@@H]3C2,0.0
O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@H](c2noc3cc(F)ccc32)CC1,0.0
O=C1N(CC[N@H+]2C[C@H]3CC[C@H](CC3)C2)CCN1c1cccc(Cl)c1,0.0
O=C1N(CC[NH+]2Cc3ccccc3C2)CCN1Cc1cccc(C(F)(F)F)c1,0.0
O=C1N(CC[N@H+]2[C@@H]3CCC[C@H]2CC3)CCN1c1cccc(Cl)c1,0.0
O=c1[nH]c2ccccc2n1CCC[N@H+]1CC[C@H](n2c(=O)[nH]c3cc(Cl)ccc32)CC1,0.0
O=C1N(CC[NH+]2CCCCCC2)CCN1c1cccc(C(F)(F)F)c1,0.0
Fc1ccc(C(CCC[N@H+]2CC[C@H](c3noc4cc(F)ccc43)CC2)c2ccc(F)cc2)cc1,0.0
CC1(C)[C@H]2CC[C@]1(C)C[N@H+](CCN1CCN(c3cccc(Cl)c3)C1=O)C2,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](CCCC(c2ccc(F)cc2)c2ccc(F)cc2)CC1,0.0
O=C(CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccc(F)cc1)c1ccc(F)cc1,0.0
O=C(CCC[N@@H+]1CC[C@@H](c2ccc(Cl)cc2)C1)c1ccc(F)cc1,0.0
O=C(CCCN1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1,0.0
O[C@H](CCC[N@@H+]1CC[C@@H]2[C@@H](C1)c1cc(F)ccc1N2c1ccccc1)c1ccc(F)cc1,0.0
N#Cc1cccc(N2CCN(CC[N@H+]3CC[C@H](C(F)(F)F)CC3)C2=O)c1,0.0
O=C1Cc2c(ccc3c2O[C@H](C[NH2+]Cc2ccccc2)CC3)N1,0.0
O=C1N(CC[N@@H+]2C[C@H]3CC[C@@H]2C3)CCN1c1cccc(Cl)c1,0.0
Cc1nc2n(c(=O)c1CC[N@H+]1CC[C@H](c3noc4cc(F)ccc43)CC1)CCCC2,0.0
O=C(CCC[N@H+]1CC[C@@]2(CCc3ccccc32)CC1)c1ccc(F)cc1,0.0
CC(C)(C)c1nc(N2CC[NH+](CCCCn3c(=O)ccc4ccccc43)CC2)cc(C(F)(F)F)n1,0.0
O=C1N(C[C@@H]2CCCC[NH2+]2)CCN1c1cccc(C(F)(F)F)c1,0.0
COc1c(C(=O)NC[C@@H]2CCC[N@@H+]2C2CCC2)cc(Br)c2ccccc12,0.0
COc1cc(Br)cc(C(=O)NCC[N@@H+]2CCc3ccccc3C2)c1OC,0.0
CC1(C)C[C@@H]2C[C@@](C)(C[N@@H+]2CCN2CCN(c3cccc(Cl)c3)C2=O)C1,0.0
FC(F)(F)c1nc2c(OCC[NH2+]Cc3ccccc3)cccc2[nH]1,0.0
O=C(CCC[N@H+]1CC[C@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,0.0
O=C1Cc2c(cccc2OCC[NH2+]Cc2ccccc2)N1,0.0
Cc1ccn(CCCC[NH+]2CCN(c3cc(C(F)(F)F)nc(C(C)(C)C)n3)CC2)c(=O)c1,0.0
CC(C)(C)c1nc(N2CC[NH+](CCCCN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1,0.0
CC(C)(C)c1nc(N2CCN(C/C=C/CN3C(=O)CCc4ccccc43)CC2)cc(C(F)(F)F)n1,0.0
CC(C)(C)c1nc(N2CC[NH+](CCCCN3C(=O)COc4ccccc43)CC2)cc(C(F)(F)F)n1,0.0
Cc1nn([C@H]2CC[N@H+](Cc3ccccc3)CC2)cc1-c1ccccc1,0.0
Fc1ccc(-c2cncc(CN3CCN(c4ccccc4F)CC3)c2)cc1,0.0
Cc1c(CNc2ccc3c(c2)Cc2ccccc2-3)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2ccc3ccccc3c2)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2cnc3ccccc3c2)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2ccc3ccc4cccc5ccc2c3c45)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CCc2cccc3ccccc23)cnc2[nH+]c(N)nc(N)c12,0.0
CCN(Cc1ccc2ccccc2c1)c1ccc2[nH+]c(N)nc(N)c2c1,0.0
CN(c1ccc2ccccc2c1)c1ccc2[nH+]c(N)nc(N)c2n1,0.0
Nc1nc(N)c2cc(NCc3cccc4ccccc34)cnc2[nH+]1,0.0
CC(C)(C)c1ccc(Sc2cccc3[nH+]c(N)nc(N)c23)cc1,0.0
Nc1nc(N)c2c(CSc3ccc4ccccc4c3)coc2[nH+]1,0.0
Nc1nc(N)c2nc(CSc3cccc4ccccc34)ccc2[nH+]1,0.0
Cc1c(CSc2cccc3ccccc23)cnc2nc(N)nc(N)c12,0.0
Nc1nc(N)c2c(CCCc3ccc(OCc4ccccc4)cc3)c[nH]c2[nH+]1,0.0
Cc1c(CNc2cccc3ncccc23)cnc2[nH+]c(N)nc(N)c12,0.0
Cc1c(CNc2cccc3cnccc23)cnc2[nH+]c(N)nc(N)c12,0.0
CCc1c(Sc2ccc3ccccc3c2)[nH]c2[nH+]c(N)nc(N)c12,0.0
Nc1nc(N)c2c(CCc3ccccc3)cccc2[nH+]1,0.0
Cc1c(CNc2ccc3c4c(cccc24)-c2ccccc2-3)cnc2[nH+]c(N)nc(N)c12,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(OC[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)c1,0.0
COc1cc(-c2ccccc2)ccc1NCc1cnc2[nH+]c(N)nc(N)c2c1C,0.0
Nc1nc(N)c2cc(C(=O)OCc3ccccc3)ccc2[nH+]1,0.0
CN(Cc1ccc2[nH+]c(N)nc(N)c2n1)c1cccc2ccccc12,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(COc2cccc3ccccc23)c1,0.0
Nc1nc(N)c2c(COc3ccccc3F)cccc2[nH+]1,0.0
Cc1c(COC(=O)c2ccccc2)cnc2[nH+]c(N)nc(N)c12,0.0
Nc1nc(N)c2c(CSc3cccc4ccccc34)coc2[nH+]1,0.0
COc1cccc2c1CCN2Cc1cnc2[nH+]c(N)nc(N)c2c1C,0.0
CN(Cc1ccc2[nH+]c(N)nc(N)c2n1)c1ccc2ccccc2c1,0.0
Cc1c(C[NH2+]C2c3ccccc3-c3ccccc32)cnc2[nH+]c(N)nc(N)c12,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1cccc(COc2ccc3ccccc3c2)c1,0.0
Nc1nc(N)c2c(C#Cc3ccccc3)cccc2[nH+]1,0.0
CCN(Cc1cccc2ccccc12)c1ccc2[nH+]c(N)nc(N)c2c1,0.0
Nc1nc(N)c2cc(NCCc3ccccc3)cnc2[nH+]1,0.0
Nc1nc2[nH]cc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)c2c(=O)[nH]1,0.0
Nc1nc(N)c2c(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cccc2[nH+]1,0.0
Cc1c(CNc2c3ccccc3cc3ccccc23)cnc2[nH+]c(N)nc(N)c12,0.0
CO/N=C/c1c(N)ncnc1Nc1ccc2nc(Cc3cccc(F)c3)[nH]c2c1,0.0
O=C(Nc1cccc(Nc2cc(Nc3cccc(C(F)(F)F)c3)ncn2)c1)C1CC1,0.0
C=CC(=O)NC1=CC=C2N=CN=C(Nc3ccc(Oc4ccccc4)cc3)[C@@H]21,0.0
[NH3+]CCCn1ccc2c(-c3ccnc(Nc4cccc(OC(F)(F)C(F)F)c4)n3)cccc21,0.0
CO/N=C/c1c(N)ncnc1Nc1ccc2c(ccn2Cc2cccc(F)c2)c1,0.0
Cc1ccn2ncnc(Nc3ccc(OCc4cccc(F)c4)c(Cl)c3)c12,0.0
CO/N=C/c1c(N)ncnc1Nc1ccc2c(c1)CCN2Cc1cccc(F)c1,0.0
O=C(Oc1cccc2ccccc12)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Brc1cccc(Nc2ncnc3c2oc2ccccc23)c1,0.0
COc1cc2ncnc(Nc3cc4ccccc4cn3)c2cc1OC,0.0
CCO/N=C/c1c(N)ncnc1Nc1ccc2c(cnn2Cc2cccc(F)c2)c1,0.0
Brc1cccc(Nc2ncnc3c2[nH]c2ccccc23)c1,0.0
COc1cc2ncnc(Nc3ccc4c(c3)CCC4)c2cc1OC,0.0
CN(C)c1cc2c(Nc3ccc4c(cnn4Cc4ccccc4)c3)ncnc2cn1,0.0
Brc1cccc(Nc2ncnc3cc4ccccc4cc23)c1,0.0
CC(=O)Nc1cc2ncnc(NCc3ccccc3)c2cn1,0.0
Nc1ccc2sc3c(Nc4cccc(Br)c4)ncnc3c2c1,0.0
O=C(OCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Cn1ncc2cc3c(Nc4cccc(Br)c4)ncnc3cc21,0.0
COc1cc2ncnc(Nc3nnc4ccccc4n3)c2cc1OC,0.0
O=C(Oc1ccc2ccccc2c1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
COc1cc2ncnc(/C=C/CCc3ccccc3)c2cc1OC,0.0
Brc1cccc(Nc2ncnc3c2ccc2[nH]cnc23)c1,0.0
COc1cc2ncnc(Nc3cnc4ccccc4n3)c2cc1OC,0.0
OCCOc1n[nH]c2ncnc(Nc3ccc(OCc4ccccn4)c(Cl)c3)c12,0.0
O=C(OCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
O=C(OCCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
O=C(NOCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
O=C(OCCCc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Cn1c2ccccc2c2ncnc(Nc3cccc(Br)c3)c21,0.0
Brc1cccc(Nc2ncnc3cc4[nH]ccc4cc23)c1,0.0
Fc1cccc(COc2ccc(Nc3ncncc3C#Cc3cc[nH]n3)cc2Cl)c1,0.0
Brc1cccc(Nc2ncnc3cc4c[nH]nc4cc23)c1,0.0
O=c1c(-c2cccc(Cl)c2)coc2cc(O)cc(O)c12,0.0
COc1cc2c(Nc3ccc(Br)cc3F)ncnc2cc1OCCn1ccnn1,0.0
Brc1cccc(Nc2ncnc3c2sc2ncccc23)c1,0.0
Brc1cccc(Nc2ncnc3cc4n[nH]nc4cc23)c1,0.0
Fc1ccc(Nc2ncnc3nn4ccccc4c23)cc1Cl,0.0
Brc1cccc(Nc2ncnc3cc4c(cnn4CCN4CCOCC4)cc23)c1,0.0
Clc1cccc(Nc2ncnc3[nH]c4ccccc4c23)c1,0.0
Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1,0.0
Oc1ccc2cc(-c3nc4ccc(O)cc4o3)ccc2c1,0.0
Oc1ccc2c(-c3cccc4c(O)cccc34)noc2c1,0.0
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,0.0
Oc1ccc(-c2cccc(-c3ccc(O)cc3)c2)cc1,0.0
O/N=C/c1ccc(-c2ccc(O)cc2)c2ccccc12,0.0
Oc1ccc(-c2cc(Br)c3cc(O)ccc3n2)cc1,0.0
Oc1ccc2c(Oc3ccc(OCC[NH+]4CCCCC4)cc3)c(-c3cccc(F)c3)ccc2c1,0.0
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12,0.0
O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21,0.0
Oc1ccc(-c2ccc3cc(O)ccc3c2)c(Cl)c1,0.0
O=c1c2oc3cc(O)ccc3c2oc2cc(O)cc(O)c12,0.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,0.0
Oc1ccc(-c2nc3cc(O)cc(-c4ccco4)c3o2)cc1,0.0
Oc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1,0.0
Cc1cc(O)ccc1-c1nc2cc(O)cc(Br)c2o1,0.0
Oc1ccc([C@@H]2CCc3cc(O)ccc3O2)cc1,0.0
O=c1c2c(O)cc(O)cc2oc2oc3cc(O)ccc3c12,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCC[C@@H]23)cc1,0.0
Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCC3)cc1)C(c1ccccc1)=C2,0.0
O=c1c2c(CO)cc(O)cc2ncn1-c1ccc(O)cc1,0.0
O/N=C/c1ccc(-c2ccc(O)cc2)c2ccsc12,0.0
O=C(c1ccccc1)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1,0.0
O/N=C/c1cc(-c2ccc(O)cc2)ccc1O,0.0
Oc1ccc2cc(-c3noc4cc(O)ccc34)ccc2c1,0.0
O=C1c2ccc(O)cc2C(=O)N1c1ccc(O)c2ccccc12,0.0
Oc1ccc2cc(-c3nc4cc(O)ccc4o3)ccc2c1,0.0
Oc1ccc2c(-c3cccc4c(O)cccc34)noc2c1,0.0
Oc1ccc(-c2ccc3c(-c4ccccc4)c(O)ccc3c2)cc1,0.0
O=c1cc(-c2ccc(O)cc2)oc2cc(O)cc(O)c12,0.0
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,0.0
Oc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1,0.0
Oc1ccc2c(c1)CC[C-]1Oc3cc(O)ccc3N=C21,0.0
Oc1ccc(-c2nc3cc(O)cc(C4CCCC4)c3o2)cc1,0.0
O/N=C/c1ccc(-c2ccc(O)c(F)c2)c2ccccc12,0.0
Oc1ccc2c(Oc3ccc(OCC[NH+]4CCCCC4)cc3)c(-c3cccc(F)c3)ccc2c1,0.0
O=c1oc2cc(O)ccc2c2oc3cc(O)ccc3c12,0.0
O=C1c2ccc(O)cc2C(=O)c2ccc(O)cc21,0.0
Oc1cc(Br)c2oc(-c3ccc(O)c(F)c3)cc2c1,0.0
Oc1ccc2c(ccc3c4ccccc4ccc23)c1O,0.0
Oc1ccc(-n2cnc3cc(O)cc(O)c3c2=S)cc1,0.0
Oc1ccc2c(c1)C[C-]1Oc3cc(O)ccc3N=C21,0.0
O=c1c2oc3cc(O)ccc3c2oc2cc(O)cc(O)c12,0.0
Oc1ccc([C@@H]2Cc3ccc(O)cc3N(CC3CC3)C2)cc1,0.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)cc(O)c12,0.0
COc1cccc2oc3cc(O)ccc3c(=O)c12,0.0
Oc1ccc2c(-c3cc(Br)c(O)cc3O)noc2c1,0.0
Oc1ccc(-c2nc3cc(O)cc(-c4ccco4)c3o2)cc1,0.0
Oc1ccc(-c2[nH]c(C(F)(F)F)nc2-c2ccccc2)cc1,0.0
Oc1ccc([C@@H]2CCc3cc(O)ccc3N2)cc1,0.0
Cc1cc(O)ccc1-c1nc2cc(O)cc(Br)c2o1,0.0
Oc1ccc([C@@H]2CCc3cc(O)ccc3O2)cc1,0.0
Oc1ccc(-n2cnc3cc(O)cc(O)c3c2=S)nc1,0.0
O/N=C/c1ccc(-c2ccc(O)cc2)c2occc12,0.0
O=c1c2c(O)cc(O)cc2oc2oc3cc(O)ccc3c12,0.0
CCc1c(-c2ccc(O)cc2)c2ccc3c(O)ccc1n32,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCC[C@@H]23)cc1,0.0
O/N=C/c1ccc(-c2ccc(O)cc2)c2ccoc12,0.0
Oc1ccc2c(c1)O[C@H](c1ccc(OCC[NH+]3CCCC3)cc1)C(c1ccccc1)=C2,0.0
C=Cc1cc(O)cc2c1-c1ccc(O)c(C)c1CC2,0.0
CC[C@]12CCC(=O)C(c3ccc(O)cc3)=C1c1ccc3n[nH]nc3c1C2,0.0
O=c1c2c(CO)cc(O)cc2ncn1-c1ccc(O)cc1,0.0
O=c1c2c(O)cc(O)cc2nc([S-])n1-c1ccc(O)cc1,0.0
O/N=C/c1ccc(-c2ccc(O)cc2)c2ccsc12,0.0
Oc1ccc(-c2cc3ccc(O)cc3s2)cc1,0.0
NC(=[NH2+])c1cccc(OCC(=O)Nc2ccc(C(=O)N3CC=CC3)cc2)c1,0.0
NC(=[NH2+])c1ccc(O)c(OCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1,0.0
O=C(Cn1ccnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O)NCc1cc(Cl)ccc1-n1cnnn1,0.0
COC(=O)C[C@H](CCc1ccc(NC(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1,0.0
c1ccc(-n2cnnn2)c(Cc2nc3c(NCC[C@@H]4CCCC[NH2+]4)nccc3o2)c1,0.0
[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3cccc(Cl)c3)nc12,0.0
NC(=[NH2+])c1cccc(O[C@@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c2ccccc2)c1,0.0
NC(=[NH2+])c1cccc(COc2ccccc2)c1,0.0
COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-c3ccccc3C[N@@H+]3CC[C@H](O)C3)cc2)cc1,0.0
COC(=O)CN(CCCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1,0.0
Nc1cc(-n2nnnc2C(=O)Nc2ccc(C(=O)N3CCCC3)cc2F)ccc1Cl,0.0
NC(=[NH2+])c1cccc(-n2nnnc2C(=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
NC(=[NH2+])c1cccc(-c2cccc([C@H](CCCNc3cc[nH+]cc3)C(=O)[O-])c2)c1,0.0
O=C(Nc1ccccc1CNc1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1,0.0
NC(=[NH2+])c1cccc(-c2ocnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
NC(=[NH2+])c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,0.0
NC(=[NH2+])NCCC[C@@H](NC(=O)Cn1cccc(NS(=O)(=O)Cc2ccccc2)c1=O)C(=O)c1nccs1,0.0
COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(N3CCCCC3=O)cc2)cc1,0.0
Cc1nccn1-c1cccc(Oc2cc(C(=O)[O-])cc(Oc3cc(C(N)=[NH2+])ccc3O)n2)c1,0.0
[NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccccn1)[NH2+]CC(=O)[O-],0.0
[NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@@H](CCc1ccc(O)cc1)[NH2+]CC(=O)[O-],0.0
NC(=[NH2+])c1cccc(OCCNC(=O)c2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
NC(=[NH2+])c1cccc(-n2nncc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
NC(=[NH2+])NCCC[C@@H](NC(=O)CN1CCN(S(=O)(=O)c2cccc3nonc23)CC1=O)C(=O)c1nccs1,0.0
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
CC(=[NH2+])N1CCC(Oc2ccc(NCc3cccc(-c4cccc(C(N)=[NH2+])c4)c3)cc2[N+](=O)[O-])CC1,0.0
NC(=[NH2+])c1cccc(OCCC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
NC(=[NH2+])c1cccc(-c2ccccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
NC(=[NH2+])c1ccc(O)c(OCC(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
NC(=[NH2+])c1cccc(-c2ncccc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cc2)c1,0.0
Cc1cc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc2c(NCC(F)(F)c2ccccn2)n1,0.0
NC(=[NH2+])c1cccc(OCCN2Cc3cc(-c4ccccc4S(N)(=O)=O)ccc3C2=O)c1,0.0
Nc1noc2ccc(-n3nnnc3C(=O)Nc3ccc(-c4ccccc4S(N)(=O)=O)cc3F)cc12,0.0
NC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
NC(=[NH2+])c1ccc2nc(-c3nc4ccccc4[nH]3)[nH]c2c1,0.0
NC(=[NH2+])c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)[C@H](O)c1ccccc1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1,0.0
NC(=[NH2+])c1ccc2ccc(CN(CCc3c[nH]c[nH+]3)C(=O)c3cccc4ccccc34)cc2c1,0.0
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(CNC(=O)Nc5cccnc5)c4)c3O)cc2[nH+]1,0.0
NC(N)=[NH+]CCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,0.0
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc(CNC(=O)Nc5ccccc5)c4)c3O)cc2[nH+]1,0.0
Nc1ccc2[nH]c(-c3cc(CC(=O)[O-])cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2[nH+]1,0.0
CCCCCNC(=O)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
NC(=[NH2+])c1ccc2ccc(CN(CCCc3ccccc3)C(=O)c3cccc4ccccc34)cc2c1,0.0
C#Cc1cc(OC2CCOCC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
COc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])ccc1OCc1ccccc1,0.0
NC(=[NH2+])c1ccc2nc(-c3cc(Cl)cc(-c4cccc(N)c4)c3O)[nH]c2c1,0.0
O=C(NCCc1ccccc1)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
NC(=[NH2+])c1ccc2[nH]c(-c3c[nH]cn3)nc2c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(OCc2cccc(Cl)c2)cc1,0.0
CCOc1cc(-c2ccccc2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
CCOc1cc(OCC)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
CC(C)(C(=O)[O-])c1cc(-c2cccc(CNC(=O)Nc3c(F)cccc3F)c2)c(O)c(-c2cc3c(N)[nH+]ccc3[nH]2)c1,0.0
CCOc1cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])ccc1OCc1ccccc1,0.0
NC(=[NH2+])c1ccc2ccc(CN(CCc3ccccn3)C(=O)c3cccc4ccccc34)cc2c1,0.0
COc1cccc(COc2ccc([C@@H](C)NC(=O)CNC(=O)Nc3ccc(C(N)=[NH2+])cc3)cc2)c1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1cccnc1,0.0
CC(C)(C(=O)[O-])c1cc(-c2cccc(CNC(=O)Nc3ccc(C(=O)[O-])cc3)c2)c(O)c(-c2cc3c(N)[nH+]ccc3[nH]2)c1,0.0
CC(C)CCN(Cc1ccc2ccc(C(N)=[NH2+])cc2c1)C(=O)c1cccc2ccccc12,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)[C@@H](CO)c1ccccc1,0.0
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
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1ccsc1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1cccc(OCc2ccccc2)c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc(-c4nnn[n-]4)cc(-c4cccc([N+](=O)[O-])c4)c3O)cc2c1,0.0
NC(=[NH2+])c1ccc2ccc(CN(CCCN3CCOCC3)C(=O)c3cccc4ccccc34)cc2c1,0.0
C[C@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1cccc(Br)c1,0.0
O=C(NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1)Nc1cccs1,0.0
NC(=[NH2+])c1ccc(NC(=O)NCC(=O)NC(c2ccccc2)c2ccccc2)cc1,0.0
NC(=[NH2+])c1ccc2ccc(CN(CCc3ccc(F)cc3)C(=O)c3cccc4ccccc34)cc2c1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(Cc2ccccc2)cc1,0.0
Cc1cccc(C(=O)Nc2ccc([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)c1ccc2c(c1)OCCO2,0.0
O=C([O-])CCCCOc1ccccc1-c1nc(-c2ccccc2)c(-c2ccccc2)o1,0.0
O=C([O-])CCCCn1c2ccccc2c2ccccc21,0.0
CCCCCCCC/C=C\CCCCCCCC(=O)[O-],0.0
CCCCCCCCCCCCCCCC(=O)[O-],0.0
CCCn1c2c(c3cccc(C(=O)[O-])c31)CCCCC2,0.0
O=C([O-])c1ccc2c3c(n(Cc4ccccc4)c2c1)CCCC3,0.0
O=C([O-])Cc1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
CCCn1c2c(c3cccc(C(=O)[O-])c31)CCCC2,0.0
O=C([O-])C(=O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
O=C([O-])c1cccc(OCc2ccc(Cl)cc2Cl)c1OCc1ccc(Cl)cc1Cl,0.0
O=C([O-])[C@@H](O)c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c12)CCCC3,0.0
COc1cccc(Cn2c3c(c4cccc(C(=O)[O-])c42)CCCC3)c1,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccc(F)cc4)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4F)c12)CCCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4cccc(F)c4)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4F)c12)CCCC3,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccc(F)cc4)c12)CCCCC3,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
O=C([O-])c1cccc2c3c(n(Cc4cccc(F)c4)c12)CCCCC3,0.0
COc1ccccc1Cn1c2c(c3cccc(C(=O)[O-])c31)CCCC2,0.0
NC(=O)c1cccc(Cn2c3c(c4cccc(C(=O)[O-])c42)CCCCC3)c1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
NC(=O)c1ccccc1Cn1c2c(c3cccc(C(=O)[O-])c31)CCCCC2,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)o2)c1,0.0
Cn1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
CCc1c(-c2ccccc2-c2cccc(OCC(=O)[O-])c2)oc(-c2ccccc2)c1-c1ccccc1,0.0
Cn1c(-c2ccccc2-c2cccc(NCC(=O)[O-])c2)nc(-c2ccccc2)c1-c1ccccc1,0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc(OCC(=O)[O-])c1,0.0
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
O=C1CCc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc2N1,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(N[C@@H]4CCCCNC4=O)n3)ccc2N1,0.0
O=C1Cc2cc(Nc3ncc(Cl)c(NCc4ccccn4)n3)ccc2N1,0.0
Cn1ccc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc21,0.0
O=C1Cc2cc(Nc3ncc(Br)c(NCc4ccccn4)n3)ccc2N1,0.0
N#Cc1cnc(Nc2ccc3c(c2)CC(=O)N3)nc1NCc1ccccn1,0.0
Cc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
COc1cc(Nc2ncc3ccn(-c4ccccc4CO)c3n2)cc(OC)c1OC,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccn4)n3)ccc2N1,0.0
Cc1ccc(C(N)=O)cc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
O=C1Cc2cc(Nc3ncc(C(F)(F)F)c(NCc4ccccc4)n3)ccc2N1,0.0
COc1cc(Nc2ncc3ccn(-c4ccccc4C#N)c3n2)cc(OC)c1OC,0.0
Cc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
COc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
COc1cccc(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
COc1cc(Nc2ncc3ccn(-c4cnccc4Cl)c3n2)cc(OC)c1OC,0.0
COc1ccncc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21,0.0
COc1cc(Nc2ncc3ccn(-c4cnccc4F)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C)c4)c3n2)cc(OC)c1OC,0.0
COc1ccc(C)c(Nc2ncc3ccn(-c4ccccn4)c3n2)c1,0.0
Clc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)n4)c3n2)cc(OC)c1OC,0.0
CCc1ccccc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
COc1cc(Nc2ncc3ccn(-c4cccnc4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4ccnc(Cl)c4)c3n2)cc(OC)c1OC,0.0
CCOC(=O)Cc1cnc(Nc2cc(OC)c(OC)c(OC)c2)nc1Nc1ccccn1,0.0
COc1cc(Nc2nc3c(c[nH+]2)CCN3c2ccccn2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4nccs4)c3n2)cc(OC)c1OC,0.0
C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CCCNC3=O)ncc1C(F)(F)F,0.0
C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F,0.0
COC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21,0.0
COc1cc(Nc2nc3c(c[nH+]2)CC[C@H](O)N3c2ccccn2)cc(OC)c1OC,0.0
CS(=O)(=O)c1ccccc1CNc1nc(Nc2ccc3c(c2)CC(=O)N3)ncc1C(F)(F)F,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(F)(F)F)c4)c3n2)cc(OC)c1OC,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
COc1cc(Nc2ncc3ccn(-c4ccc(C)cc4)c3n2)cc(OC)c1OC,0.0
CNC(=O)c1ccccc1-n1ccc2cnc(Nc3cc(OC)c(OC)c(OC)c3)nc21,0.0
COc1cc(Nc2ncc(Br)c(Nc3ccccn3)n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C#N)c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(C(=O)[O-])c4)c3n2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(CC#N)c4)c3n2)cc(OC)c1OC,0.0
Cc1ccc(-c2cnc3ccccc3n2)cc1Nc1ncc2ccn(-c3ccccn3)c2n1,0.0
c1ccc2c(-c3nc4ccc(N5CCOCC5)cc4[nH]3)n[nH]c2c1,0.0
Nc1c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
c1ccc2c(-c3nc4cc(-n5ccnc5)ccc4[nH]3)n[nH]c2c1,0.0
C[NH+]1CCN(Cc2ccc3[nH]c(-c4n[nH]c5ccccc45)nc3c2)CC1,0.0
CC(=O)Oc1ccc2[nH]c(C(=O)c3cc4ccccc4[nH]3)cc2c1,0.0
Nc1c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
Nc1c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c(=O)[nH]c2ccncc12,0.0
C[NH+]1CCN(c2ccc3nc(-c4n[nH]c5ccccc45)[nH]c3c2)CC1,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
C[NH+]1CCN(Cc2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1,0.0
C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1,0.0
c1ccc2c(-c3nc4ccc(OCCC[NH+]5CCCC5)cc4[nH]3)n[nH]c2c1,0.0
Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)O)c(C)c34)ccc2[nH]1,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2sccc12,0.0
COc1ccccc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]cc(CCC(=O)[O-])c1C,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccccc3)nc21,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
COc1ccccc1-c1ccc2c(c1)NC(=O)/C2=C\c1[nH]c2c(c1CCC(=O)[O-])CCCC2,0.0
c1ccc2c(-c3nc4c(N5CCOCC5)cccc4[nH]3)n[nH]c2c1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
Cc1ccc(Nc2nc(N(C)c3ccc4c(C)n(C)nc4c3)cc[nH+]2)cc1S(N)(=O)=O,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccnc3)nc21,0.0
Nc1c(-c2nc3ccc(OCCN4CCOCC4)cc3[nH]2)c(=O)[nH]c2ccccc12,0.0
C[NH+](C)[C@H]1CCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)C1,0.0
C[N@@H+]1CCCN(c2ccc3nc(-c4c(N)c5ccccc5[nH]c4=O)[nH]c3c2)CC1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5ncccc5[nH]c4=O)[nH]c3c2)CC1,0.0
COCCOc1cc2ncnc(Nc3cc(O)c(Cl)cc3F)c2cc1OC,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5ccncc5[nH]c4=O)[nH]c3c2)CC1,0.0
C[NH+]1CCN(c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3n2)CC1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(Cl)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
O=C(Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1)NC1CC1,0.0
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(N)=O)CCCC3)C(=O)N2,0.0
CC(C)n1c(=O)ccc2cnc(Nc3ccc(N4CC[NH+](C)CC4)cc3)nc21,0.0
Cc1c[nH]c(/C=C2\C(=O)Nc3ccccc32)c1CCC(=O)[O-],0.0
CN(C(=O)C[NH+](C)C)c1ccc2[nH]c(-c3c(N)c4ccccc4[nH]c3=O)nc2c1,0.0
O=c1c(Br)cc2cnc(Nc3ccc(N4CC[NH2+]CC4)cc3)nc2n1C1CCCC1,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(NCCCn3cc[nH+]c3)cc21,0.0
CCS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC[N@H+]1CC[C@H](O)CC1)CCCC3)C(=O)N2,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@H]1CC[N@H+](C)CC1,0.0
O=C(OCCCCc1ccccc1)[C@@H]1CCCN1C(=O)N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
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
O=C(C(=O)N1CCC[C@H]1C(=O)CCCCc1ccccc1)C1CCCCC1,0.0
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)CCCCc1cccnc1,0.0
O=C(OCCCc1ccccc1)[C@@H]1CCCN1C(=O)Nc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)NCCCc1cccnc1,0.0
O=C(C(=O)N1CCC[C@H]1C(=O)OCCCc1cccnc1)C1CCCCC1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCC(c1ccccc1)c1ccccc1,0.0
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)CCCCc1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCC1CCCCC1,0.0
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OCCCCc2ccccc2)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCC1CCCCC1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OC(CCc1ccccc1)CCc1ccccc1,0.0
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
O=C(OCCCCc1ccccc1)[C@@H]1CCCCN1S(=O)(=O)c1ccccc1,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)OCCCc1ccccc1)C1CCCCC1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccccc1,0.0
CC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)CCCc1ccccc1,0.0
CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCC1CCCCC1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc2ccccc2c1,0.0
O=C(OCCCc1ccc(F)cc1)[C@@H]1CCCN1C(=S)N[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
CC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1ccccc1,0.0
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
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)O[C@H](CCc1ccccc1)c1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1ccccn1,0.0
O=C(OCCCc1cccnc1)[C@@H]1CCCN1C(=S)NC1CCCCC1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1cccnc1,0.0
O=C(C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cccnc1)c1ccccc1,0.0
CCc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)NCCCc2ccccc2)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCc1ccccc1,0.0
COc1ccc(CCCOC(=O)[C@H]2CCCCN2S(=O)(=O)c2ccc(C)cc2)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCC(c1ccccc1)c1ccccc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@@H]1C(=O)OCCCc1cc(OC)ccc1OC,0.0
CC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1cccnc1,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCN2C(=S)NC2CCCCC2)cc1OC,0.0
COc1ccc(CCCOC(=O)[C@@H]2CCCCN2S(=O)(=O)Cc2ccccc2)cc1,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)OC(CCCc1ccccc1)CCCc1ccccc1)c1ccccc1,0.0
Cc1ccc(S(=O)(=O)N2CCCC[C@@H]2C(=O)OC(CCCc2ccccc2)CCCc2ccccc2)cc1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OC/C=C/c1cc(OC)ccc1OC,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@@H]1C(=O)OCCCc1ccc2c(c1)OCO2,0.0
CCC(C)(C)C(=O)C(=O)N1CCCC[C@H]1C(=O)CCCCc1ccccc1,0.0
CCCC[C@H]1CN(C(=O)c2cccc3ccccc23)CCN1C[C@@H]([NH3+])CS,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(C(=O)c2ccccc2)c1,0.0
O=C([O-])c1cccc(Oc2ccc(N(Cc3c[nH]c[nH+]3)Cc3c[nH]c[nH+]3)cc2)c1,0.0
O=C(N[C@H](Cc1cccc2ccccc12)C(=O)NCCc1c[nH]c[nH+]1)C1Cc2ccccc2C1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(Cc2ccccc2)c1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(Oc2ccccc2)c1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(Nc2ccccc2)c1,0.0
N#Cc1ccc(Cn2c[nH+]cc2CN[C@@H]2CCN(c3ccncc3)C2=O)cc1,0.0
Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cc3ccc(C#N)cc3)ccc21,0.0
N#Cc1ccc(Cn2ccnc2)cc1OCCCc1ccccc1,0.0
N#Cc1ccc(Cn2ccnc2)cc1OCCc1ccccc1,0.0
N#Cc1ccc(Cn2c[nH+]cc2CN[C@H]2CCN(c3ccccn3)C2=O)cc1,0.0
Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3c[nH+]cc3Cc3ccc(C#N)cc3)cnc21,0.0
[NH3+][C@@H](CS)CNc1ccc(-c2cccc(C(=O)[O-])c2)c(-c2ccccc2)c1,0.0
N#Cc1ccc(Cn2ccnc2)cc1OCCCCc1ccccc1,0.0
[NH3+][C@@H](CS)CNc1cccc(Oc2cccc(C(=O)[O-])c2)c1,0.0
N#Cc1ccc(Cn2c[nH+]cc2CN[C@H]2CCN(c3ccccc3Cl)C2=O)cc1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(C(=O)Nc2ccccc2)c1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc2ccccc12,0.0
N#Cc1ccc(Cn2ccnc2)cc1OCCc1ccc(-c2ccccc2)cc1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1ccc2ccccc2c1,0.0
Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(C(=O)c3cncn3Cc3ccc(C#N)cc3)ccc21,0.0
N#Cc1ccc(Cn2c[nH+]cc2CNc2ccc(C(=O)c3ccccc3)cc2)cc1,0.0
N#Cc1ccc(Cn2cncc2C[NH2+][C@H]2CCN(C(=O)c3cccc4ccccc34)C2)cc1,0.0
CSCC[C@H](NC(=O)c1cccc(CN(Cc2cnc[nH]2)Cc2c[nH]c[nH+]2)c1)C(=O)[O-],0.0
Cn1c(CNCc2c[nH+]cn2Cc2ccc(C#N)cc2)c(-c2cccc(Cl)c2)cc(C#N)c1=O,0.0
N#Cc1ccc(Cn2c[nH+]cc2CN[C@@H]2CCN(Cc3cccc(Cl)c3)C2=O)cc1,0.0
CCOc1cccc(-c2cc(C#N)ccc2C#C[C@@H](O)c2cncn2Cc2ccc(C#N)cc2)c1,0.0
N#Cc1ccc(Cn2cncc2COc2ccc(Cl)cc2-c2cccc(Cl)c2)cc1,0.0
CCOc1cccc(-c2cc(C#N)ccc2CNCc2c[nH+]cn2Cc2ccc(C#N)cc2)c1,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(NC(=O)c2ccccc2)c1,0.0
N#Cc1ccc(Cn2cncc2C[NH2+][C@@H]2CCN(C(=O)c3cccc(Cl)c3)C2)cc1,0.0
N#Cc1ccc(Cn2c[nH+]cc2CNCc2ccc(C#N)c(-c3cccc4ccccc34)c2)cc1,0.0
N#Cc1ccc(Cn2cncc2COCc2ccc(C#N)c(-c3cccc4ccccc34)c2)cc1,0.0
N#Cc1ccc(Cn2cncc2CN2CCN(C(=O)OCc3ccccc3OC(F)(F)F)CC2)cc1,0.0
N#Cc1ccc(Cn2c[nH+]cc2CN[C@@H]2CCN(c3cccc4ncccc34)C2=O)cc1,0.0
CCOc1cccc(-c2cc(C#N)ccc2COCc2cncn2Cc2ccc(C#N)nc2)c1,0.0
O=P([O-])([O-])[C@](O)(CC[NH2+]CCCCc1ccccc1)[P@@](=O)([O-])O,0.0
C[N@H+](CCCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(CC[NH2+]CCCOc1ccccc1)[P@@](=O)([O-])O,0.0
C[N@H+](CCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCCCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCCCCCCCCC[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
CCCCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCCC[NH2+][C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](CNc1cccc[nH+]1)[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)(CCc1cccnc1)[P@@](=O)([O-])O,0.0
C[C@@H]([NH3+])C[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@H](Nc1ccc(Br)cn1)[P@@](=O)([O-])O,0.0
Cc1ccc[nH+]c1NC[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]([NH2+]C1CCC1)[P@@](=O)([O-])O,0.0
CCCCCC[C@@](O)(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
CCCCCCCCCC[S@+](C)C[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
Cc1cccc(N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O)[nH+]1,0.0
CCCCC[C@H](C)[NH2+][C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
Cc1cc[nH+]c(N[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O)c1,0.0
O=P([O-])([O-])[C@H](CNc1cc[nH+]cc1)[P@@](=O)([O-])O,0.0
CCCCCCCC[C@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCC[NH2+][C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
[NH3+]CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
[NH3+]CCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CC(C)C[NH2+][C@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@](O)(Cc1ccccc1)[P@@](=O)([O-])O,0.0
O=P([O-])([O-])[C@@](O)(Cn1cc[nH+]c1)[P@@](=O)([O-])O,0.0
CCCCCCCC[S@+](C)C[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCC[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCC[NH2+][C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
[NH3+]CCCCC[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
O=P([O-])([O-])[C@](O)(Cc1cnc2ccccn12)[P@@](=O)([O-])O,0.0
CCCCCC[C@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCC[NH2+][C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCn1ncc2c(Cl)c(C(=O)NCc3ccc(Cl)c(C(F)(F)F)c3)cnc21,0.0
CCCC[C@@H](O)[C@H]1CCCC2=Cc3c(cnn3-c3ccc(F)cc3)C[C@@]21C,0.0
CCc1nn(C)c2ncc(C(=O)NCC3Cc4ccccc4C3)c(Cl)c12,0.0
O[C@](c1ccc2c(cnn2-c2ccc(F)cc2)c1)(c1cccc(Cl)c1Cl)C(F)(F)F,0.0
Cc1cc(-c2cc3ccccc3[nH]2)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12,0.0
C=CC[C@@](C)(O)[C@H]1CCCC2=Cc3c(-c4ccc(F)cc4)[nH+]cn3C[C@@]21C,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@@H](O)c1coc2ccccc12,0.0
CC(C)(C[C@](O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1cc(F)ccc1O,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)CCC1CC1,0.0
CS(=O)(=O)[N-]c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0.0
Cc1cc(-c2ccc3cc[nH]c3c2)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCCC2)C(=S)N3)c1,0.0
COc1cccc(-c2ccccc2CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)c1,0.0
CCN(C[C@](O)(CNC(=O)c1cnn(-c2ccccc2)c1N)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1ccc(F)cc1,0.0
CC1(C)Nc2ccc(-c3csc(C#N)c3)cc2C(C)(C)C1=O,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc2ccccc2c1)C(F)(F)F,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@@H](O)Cc1ccc(F)cc1,0.0
Cc1cc(-c2c[nH]c3ccccc23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
O=c1[nH]c(N2CC[C@@H](c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1,0.0
CC1=CC(C)(C)Nc2ccc(-c3sc(C#N)cc3C)cc21,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)Cc1ccc(F)cc1,0.0
CC(C)(C[C@](O)(CCc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
Cn1c(=O)[nH]c(N2CCC(CCc3ccccc3)CC2)c(Cc2ccccc2)c1=O,0.0
Cc1cc(C#N)sc1-c1ccc2c(c1)[C@@H](C)CC(C)(C)N2,0.0
O=c1[nH]c(N2CCC[C@@H](c3ccccc3)C2)c(Cc2ccccc2)c(=O)[nH]1,0.0
CC(C)(C[C@@](O)(C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1)c1ccccc1,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F,0.0
C[C@@](c1ccc(F)cc1F)(c1c[nH]c2c([N-]S(C)(=O)=O)cccc12)C1CC1,0.0
CN(c1ccccc1)S(=O)(=O)c1ccc(-c2ccc3c(cnn3-c3ccc(F)cc3)c2)c(C(F)(F)F)c1,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(Cc3ccccc3)CC(C)(C)c3ccccc3)cc12,0.0
Cn1c(=O)[nH]c(N2CCC(Oc3ccccc3)CC2)c(Cc2ccccc2)c1=O,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
Cn1c(=O)[nH]c(N2CCC(C(=O)c3ccccc3)CC2)c(Cc2ccccc2)c1=O,0.0
CC(C)(C[C@](O)(Cc1ccccn1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
O=C(NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O)c1cccc2ccccc12,0.0
Cc1ccc(S(=O)(=O)Nc2ccc(C(=O)Nc3cc(C)on3)cc2)cc1,0.0
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
O=C(Nc1cccs1)c1ccc([N-]S(=O)(=O)c2ccc(Cl)cc2)cc1,0.0
OCCNc1nc(Nc2cc(-c3ccccc3)ccc2O)nc(N2CCCC2)n1,0.0
CCCCCCCCCC[NH2+][C@@H]1[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCCCCCCCCC[NH2+][C@H]1C[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,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
CCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
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)NC[C@H]3[NH2+][C@H](CO)[C@H](O)[C@@H]3O)cccc12,0.0
CCCCCC[NH2+][C@H]1C[C@@H](C)[C@H](O)[C@@H](O)[C@H]1O,0.0
CC(C)(C)Oc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CCCCCCCCCCCC(=O)NC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@@H]1O,0.0
CCOc1ccccc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CCCCCCCCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCCCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
CCCCCCCCCCCCCCCCCC[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
CCCCCCCCC[N@@H+]1C[C@H](O)[C@@H](O)[C@H](O)[C@H]1CO,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)C3CC3)cc12,0.0
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
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)C3CCCCC3)cc12,0.0
CCCCCC[NH2+][C@@H]1C=C(CO)[C@@H](O)[C@@H](O)[C@@H]1O,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
CCCCCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O,0.0
Cc1cc(N2CCCCC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
COc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
CCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O,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
CCOc1ccc(Cl)cc1Nc1nc(NCCO)nc(N2CCCC2)n1,0.0
Cc1cc(N2CCOCC2)[nH+]c2ccc(NC(=O)[C@H]3CC[C@H](C)CC3)cc12,0.0
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
O=C(Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12)c1ccccc1,0.0
O=C(NCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,0.0
O=C(Cc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,0.0
O=C(Nc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,0.0
O=C(NCCc1ccccc1)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nccn12,0.0
[NH3+]CCC[NH2+]CCCC[NH2+]CC1CCN(C(=O)Cc2cccc3ccccc23)CC1,0.0
N[C@H](Cc1c(-c2nnn(Cc3ccccc3)n2)o[nH]c1=O)C(=O)[O-],0.0
CC(C)S(=O)(=O)NC[C@H](C)c1ccc(NC(=O)c2ccccc2)cc1,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]C[C@@H]2CCC[NH2+]2)CC1,0.0
COc1ccc(NC(=O)NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)cc1,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH+]2CCCCC2)CC1,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]C[C@@H]2CCC[NH2+]C2)CC1,0.0
O=c1ccn(-c2cc3c(=O)n([O-])c(=O)[nH]c3cc2Cl)cc1,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]CC2CCCCC2)CC1,0.0
CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(-c3cccc([N-]S(C)(=O)=O)c3)cc2C1,0.0
O=C([O-])Cc1csc(NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)n1,0.0
O=C([O-])c1ccccc1NCc1cc([N+](=O)[O-])cc2[nH]c(=O)c(=O)[nH]c12,0.0
COc1cc(C(=O)NCc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)cc(OC)c1OC,0.0
C[N@H+](Cc1ccccc1)Cc1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1,0.0
CCCC(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)NCCCC[NH2+]CCCCCCC[NH3+],0.0
O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3cccc[nH+]3)c2[nH]c1=O,0.0
O=C([O-])c1cn2c3c(nc([O-])c2n1)-c1ccccc1C3=O,0.0
O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3ncccn3)c2[nH]c1=O,0.0
O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3cccnc3)c2[nH]c1=O,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]CC[NH+]2CCCCC2)CC1,0.0
C[N@H+]1CC[C@H](C[NH2+]CCCC[NH2+]CC2CCN(C(=O)Cc3cccc4ccccc34)CC2)CC1,0.0
CCCC(=O)N[C@]1(C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])CCc2ccccc2C1,0.0
CCCC(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+],0.0
O=C([O-])C1CCN(Cc2cc([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c23)CC1,0.0
O=C([O-])c1ccn(-c2cc3[nH]c(=O)c(=O)[nH]c3cc2[N+](=O)[O-])c1,0.0
CCCC(=O)NC1(C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+])Cc2ccccc2C1,0.0
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](C[C@@H](C/C=C/c1ccc2ccccc2c1)C(=O)[O-])C(=O)[O-],0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(-c2ccccc2)cc1)C(=O)[O-])C(=O)[O-],0.0
N[C@H](Cc1c(-c2nnn(Cc3ccccc3)n2)o[nH]c1=O)C(=O)[O-],0.0
O=C([O-])c1cn2c3c([nH]c(=O)c2n1)-c1ccc(F)cc1C3,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(C(F)(F)F)cc1)C(=O)[O-])C(=O)[O-],0.0
O=C([O-])c1cn2c3c([nH]c(=O)c2n1)-c1ccccc1C3,0.0
CC(C)c1ccc(/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-])cc1,0.0
[NH3+][C@H](Cn1c(=O)c(=O)[nH]c2ccccc21)C(=O)[O-],0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1[N-]S(=O)(=O)C(F)(F)F,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(Cl)c(Cl)c1)C(=O)[O-])C(=O)[O-],0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(Br)cc1)C(=O)[O-])C(=O)[O-],0.0
[NH3+][C@@H](Cn1c(=O)[nH]c(=O)c2ccccc21)C(=O)[O-],0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccc(Cl)cc1)C(=O)[O-])C(=O)[O-],0.0
CCCn1nnc(-c2o[nH]c(=O)c2C[C@@H](N)C(=O)[O-])n1,0.0
[NH3+][C@@H](Cn1c2c(c(=O)[nH]c1=O)CCC2)C(=O)[O-],0.0
COc1ccccc1/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-],0.0
COc1cccc(/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-])c1,0.0
CSc1ccc(/C=C/C[C@H](C[C@H]([NH3+])C(=O)[O-])C(=O)[O-])cc1,0.0
CC(C)n1nnc(-c2o[nH]c(=O)c2C[C@@H](N)C(=O)[O-])n1,0.0
Cn1nnc(-c2o[nH]c(=O)c2C[C@H](N)C(=O)[O-])n1,0.0
CCn1nnc(-c2o[nH]c(=O)c2C[C@@H](N)C(=O)[O-])n1,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1ccccc1)C(=O)[O-])C(=O)[O-],0.0
[NH3+][C@@H](Cn1c(=O)c(=O)[nH]c2ccccc21)C(=O)[O-],0.0
O=C([O-])[C@@H]1C[C@H]2C[C@@H](CCc3nnn[n-]3)CC[C@H]2C[NH2+]1,0.0
C[C@@H]1CCC=C(C[C@H](N)C(=O)[O-])c2c1o[nH]c2=O,0.0
[NH3+][C@@H](Cn1cc(Cl)c(=O)[nH]c1=O)C(=O)[O-],0.0
N[C@@H](CC1=CCCCc2o[nH]c(=O)c21)C(=O)[O-],0.0
Cc1onc([O-])c1C[C@@H]([NH3+])C(=O)[O-],0.0
[NH3+][C@@H](Cn1c(=O)[nH]c(=O)c2sccc21)C(=O)[O-],0.0
N#Cc1cc2[nH]c(=O)c([O-])nc2cc1[N+](=O)[O-],0.0
CN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
C=C(C)[C@H]1C[NH2+][C@H](C(=O)[O-])[C@H]1CC(=O)[O-],0.0
O=C([O-])c1cc2cc([N+](=O)[O-])c([N+](=O)[O-])cc2[nH]c1=O,0.0
CCN1CCc2c([N+](=O)[O-])cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
O=c1[nH]c2cc(-n3ccnc3)c([N+](=O)[O-])cc2nc1[O-],0.0
O=C(NO)c1ccc(CNC(=O)c2cccc3ccccc23)cc1,0.0
O=C(NO)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1,0.0
Cn1cc(/C=C/C(=O)c2cccc3ccccc23)cc1/C=C/C(=O)NO,0.0
CNC(=O)C(=O)CCCCCCC(=O)Nc1ccc2ccccc2c1,0.0
O=C(CCCCCCc1nc(-c2ccc3ccccc3c2)cs1)NO,0.0
O=C(CCCCCCOc1ccc(-c2ccccc2)cc1)NO,0.0
O=C(CCCCCCc1nc(-c2ccc(-c3ccccc3)cc2)cs1)NO,0.0
O=C(C=C1c2ccccc2-c2ccccc21)NCCCCCC(=O)NO,0.0
O=C(CCC1=CCCN(CCCc2ccccc2)C1=O)NO,0.0
O=C(CCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(CCC1=CCCN(CCCCc2ccccc2)C1=O)NO,0.0
Cc1[nH]c2ccccc2c1CC[NH2+]Cc1ccc(/C=C/C(=O)NO)cc1,0.0
Cc1c(C(=O)NCCCCCCC(=O)NO)oc2ccccc12,0.0
O=C(/C=C/c1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(CCCCCCc1cnc(-c2ccc(-c3ccccc3)cc2)o1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCn2c3ccccc3c3ccccc32)cc1)NO,0.0
O=C(CCCCCNC(=O)c1ccc(OCc2ccccc2)cc1)NO,0.0
O=C(CCCc1ccccc1)NCc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)NO,0.0
O=C(CCCCCCC(=O)Nc1cccc(-n2cc(C3CCCCC3)nn2)c1)NO,0.0
O=C(/C=C/c1ccc(CNC(=O)c2ccccn2)cc1)NO,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cn(Cc3ccccc3)nn2)c1)NO,0.0
O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO,0.0
Nc1cccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)c1,0.0
O=C(CCCCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(/C=C/c1ccc(CNC(=O)c2cccnc2)cc1)NO,0.0
O=C(/C=C/c1ccc(NCCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cn(C3CCCCC3)nn2)c1)NO,0.0
O=C(NCCCCCCC(=O)c1ncco1)c1cc2ccccc2[nH]1,0.0
CCc1ccccc1-c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1,0.0
O=C(CCCCCCOc1ccc2ccccc2c1)c1ncco1,0.0
O=C(CCCCCCNC(=O)c1cc2cc(OCc3ccccc3)ccc2[nH]1)NO,0.0
O=C(CCCCCCSc1ccc2ccccc2c1)c1ncco1,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCc2ccccc2)cc1)NO,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cnnn2C[C@@H](O)c2cccc(Br)c2)c1)NO,0.0
O=C(NO)c1ccc(CNC(=O)c2cccc3ccccc23)cc1,0.0
O=C(NO)c1ccc(CNC(=O)c2ccc3ccccc3c2)cc1,0.0
Cn1cc(/C=C/C(=O)c2cccc3ccccc23)cc1/C=C/C(=O)NO,0.0
O=C(NC[C@H]1CC[C@H](C(=O)NO)CC1)c1ccc(-c2ccccc2)cc1,0.0
O=C(/C=C/c1cccc(C(=O)c2cc3ccccc3o2)c1)NO,0.0
O=C(C=C1c2ccccc2-c2ccccc21)NCCCCCC(=O)NO,0.0
O=C(CCC1=CCCN(CCCc2ccccc2)C1=O)NO,0.0
O=C(CCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(CCC1=CCCN(CCCCc2ccccc2)C1=O)NO,0.0
O=C(CCCCCCN1c2cccc3cccc(c23)S1(=O)=O)NO,0.0
O=C(CCC1=CCCN(CCc2ccccc2)C1=O)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]Cc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cn(Cc3ccc(F)cc3)nn2)c1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCn2c3ccccc3c3ccccc32)cc1)NO,0.0
O=C(CCCCCNC(=O)c1ccc(OCc2ccccc2)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/c1ccc2c(c1)C(=O)N(CCc1ccccc1)C2=O)NO,0.0
COc1ccccc1C(=O)/C=C/c1cc(/C=C/C(=O)NO)n(C)c1,0.0
O=C(CCCCCCNC(=O)c1cc2cc(Cl)ccc2o1)NO,0.0
O=C(/C=C/c1ccc(CNC(=O)c2ccccn2)cc1)NO,0.0
O=C(CCCCCN1C(=O)c2cccc3cccc(c23)C1=O)NO,0.0
Nc1cccc(-c2cc(C(=O)NCCCCCCC(=O)NO)no2)c1,0.0
O=C(CCCCCCNc1ccc2ccccc2c1)c1ncco1,0.0
O=C(CCCCc1ccccc1)Nc1ccc(C(=O)NO)cc1,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cnnn2Cc2ccccc2)c1)NO,0.0
O=C(/C=C/c1ccc(CNC(=O)c2cccnc2)cc1)NO,0.0
COc1cccc2[nH]c(C(=O)NCCCCCCC(=O)NO)cc12,0.0
O=C(Cc1ccc(-c2csc(NC(=O)Cc3ccccc3)n2)s1)NO,0.0
O=C(/C=C/c1ccc(NCCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(NO)c1ccc(NC(=O)c2ccccc2)cc1,0.0
O=C(Cc1ccc(-c2csc(NC(=O)COc3ccccc3)n2)s1)NO,0.0
O=C(NCCCCCCC(=O)c1ncco1)c1cc2ccccc2[nH]1,0.0
CCc1ccccc1-c1cc(=O)[nH]c(SCCCCCC(=O)NO)n1,0.0
O=C(CCCCCCOc1ccc2ccccc2c1)c1ncco1,0.0
O=C(CCCCCCSc1ccc2ccccc2c1)c1ncco1,0.0
O=C(/C=C/c1ccc2c(c1)C(=O)N(Cc1ccccc1)C2=O)NO,0.0
O=C(/C=C/c1cccc(-c2nc3ccccc3n2CC[NH+]2CCCC2)c1)NO,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cn(C[C@@H](O)c3cccc(Br)c3)nn2)c1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCc2ccccc2)cc1)NO,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cnnn2C[C@@H](O)c2cccc(Br)c2)c1)NO,0.0
C[C@@H]1c2ccccc2C[C@@H]1C(=O)NCCCCCCC(=O)NO,0.0
O=C(CCCCCCOc1cccc(-c2ccccc2)c1)c1ncco1,0.0
O=C(CCCCCCC(=O)Nc1ccc(-c2cnnn2-c2ccccc2)cc1)NO,0.0
O=C(/C=C/c1ccc(C[NH2+]CCCc2c[nH]c3ccccc23)cc1)NO,0.0
O=C(c1cccc(Cc2ccccc2)c1)c1ccc2cccnc2c1O,0.0
O=C(c1cc(Cc2ccccc2)ccn1)c1ccc2cccnc2c1O,0.0
O=C(c1cccc(Cc2ccccc2)c1)c1ncc2cccnc2c1O,0.0
O=C1/C(=C/c2ccc(O)c(O)c2)CCC/C1=C\c1ccc(O)c(O)c1,0.0
O=C1/C(=C/c2ccc(O)c(O)c2)COC/C1=C\c1ccc(O)c(O)c1,0.0
O=C1/C(=C/c2ccc(O)c(O)c2)CNC/C1=C\c1ccc(O)c(O)c1,0.0
O=C1/C(=C/c2ccc(O)c(O)c2)CSC/C1=C\c1ccc(O)c(O)c1,0.0
O=C([O-])c1cc(/C=C/c2ccc3ccc(C(=O)[O-])c([O-])c3n2)ccc1O,0.0
O=C(/C=C/c1ccc(O)c(O)c1)/C=C/c1ccc(O)c(O)c1,0.0
O=C(NCc1ccc(F)cc1)c1nc(Cc2ccccc2)[nH]c(=O)c1O,0.0
O=c1c(O)c(-c2ccc(O)c(O)c2)oc2cc(O)c(O)c(O)c12,0.0
O=C(/C=C/c1ccc(O)c(O)c1)CC(=O)/C=C/c1ccc(O)c(O)c1,0.0
C[N@@H+]1CCCC[C@@H]1c1nc([O-])c(O)c(C(=O)NCc2ccc(F)cc2)n1,0.0
O=C(NCc1ccccc1)c1nc(-c2ccccc2)[nH]c(=O)c1O,0.0
Cc1nc(C(=O)NCc2ccc(F)cc2)c(O)c(=O)[nH]1,0.0
CN(C)C(C)(C)c1nc(=O)c(O)c(C(=O)NCc2ccc(F)cc2)[nH]1,0.0
O=C(NCc1ccc(F)cc1)c1nc(-c2cccs2)nc([O-])c1O,0.0
COc1c2c(c(O)c3ncc(F)cc13)C(=O)N(Cc1ccc(F)cc1)C2,0.0
O=C1C[C@@H](c2nc(C(=O)NCc3ccc(F)cc3)c(O)c3ncccc23)NC(=O)N1,0.0
O=C([O-])C(=O)CC(=O)c1cccc(OCc2ccccc2)c1,0.0
O=C([O-])C(=O)CC(=O)c1cccc(Cc2ccccc2)c1,0.0
O=C([O-])C(=O)CC(=O)c1cc(OCc2ccccc2)cc(OCc2ccccc2)c1,0.0
O=C([O-])C(=O)CC(=O)c1csc(Cc2ccccc2)c1,0.0
COc1c2c(c([O-])c3nccnc13)C(=O)N(Cc1ccc(F)cc1)C2,0.0
O=C([O-])C(=O)CC(=O)c1cn(Cc2ccc(F)cc2)c2ccccc12,0.0
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
COc1ccc2c(c1)c(C(=O)CC(=O)C(=O)[O-])cn2Cc1ccc(F)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
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([O-])C(=O)CC(=O)c1c[nH]c2ccc(Cl)cc12,0.0
CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,0.0
CC[C@H](c1cccc(NC(=O)CC[NH2+][C@@H]2C=Cc3ccccc32)c1)c1c([O-])oc2ccccc2c1=O,0.0
O=C(CCC[N@H+]1CC[C@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,0.0
CC(C)OC(=O)c1ccccc1CSc1c([O-])cc(-c2ccccc2)oc1=O,0.0
CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)CCCCCCC2,0.0
CC(C)C[C@@H](SCc1ccccc1)c1c([O-])cc(-c2ccccc2)oc1=O,0.0
O=c1oc(-c2ccccc2)cc([O-])c1[C@H](CC1CC1)SC1CCCCC1,0.0
CC[C@H](c1cccc(NC(=O)CCn2ccc3ccccc32)c1)c1c([O-])oc2ccccc2c1=O,0.0
O=c1oc(-c2ccccc2)cc([O-])c1[C@H](CC1CC1)SC1CCCC1,0.0
CC(C)C[C@@H](SC1CCCC1)c1c([O-])cc(-c2ccccc2)oc1=O,0.0
O=c1oc(-c2ccccc2)cc([O-])c1[C@@H](CC1CC1)SCc1ccccc1,0.0
O=C1N[C@H](Cc2ccccc2)C(=O)[C@H]1Cc1ccccc1,0.0
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,0.0
CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](CC)c2ccccc2)c(=O)o1,0.0
O=c1oc(-c2ccccc2)cc([O-])c1[C@@H](SC1CCCC1)C1CCCC1,0.0
O=C(NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-])OCc1ccccc1,0.0
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)N1CCC(=O)[C@H]1Sc1ccccc1,0.0
CC[C@H](c1ccccc1)c1c(O)c2c(oc1=O)CCCCCC2,0.0
CCC(CC)c1cc(O)c([C@H](c2cccc([N-]S(=O)(=O)c3cn(C)c[nH+]3)c2)C2CC2)c(=O)o1,0.0
CCS(=O)(=O)[N-]c1cccc([C@H](c2c(O)c3c(oc2=O)CCCCC3)C2CC2)c1,0.0
O=C(N[C@@H](CCCCNc1cccc2ccccc12)C(=O)[O-])OCC1c2ccccc2-c2ccccc21,0.0
CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc([N-]S(=O)(=O)c3cccnc3)c2)C2CC2)c(=O)o1,0.0
O=c1oc2c(c(O)c1[C@@H](c1ccccc1)C1CC1)CCCCC[C@@H]2CC1CC1,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@H]1O,0.0
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,0.0
COc1c([C@@H](O)c2ccccc2)c(=O)oc2ccccc12,0.0
CC(C)(C)OC(=O)N[C@H](Cc1ccc(O)cc1)C(=O)C(F)(F)C(=O)NCc1ccccc1,0.0
CC[C@H](Cc1ccccc1)c1cc(O)c([C@H](c2cccc([N-]S(=O)(=O)c3cn(C)c[nH+]3)c2)C2CC2)c(=O)o1,0.0
CCCS(=O)(=O)[N-]c1cccc([C@H](c2c(O)c3c(oc2=O)CCCCCC3)C2CC2)c1,0.0
CC(C)CN(C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@H]1CCOC1)S(=O)(=O)NC(C)(C)C,0.0
Cc1ccc(S(=O)(=O)NCCC[C@H](NC(=O)OCC2c3ccccc3-c3ccccc32)C(=O)[O-])cc1,0.0
Cn1c[nH+]c(S(=O)(=O)[N-]c2cccc([C@H](c3c(O)cc(C(CC4CC4)CC4CC4)oc3=O)C3CC3)c2)c1,0.0
CC[C@H](c1ccccc1)c1c([O-])oc2ccccc2c1=O,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=c1oc2c(c(O)c1[C@@H](c1ccccc1)C1CC1)CCCCCC2,0.0
CCc1cc(CCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,0.0
Nc1cc(Cl)nc(SCc2ccc3ccccc3c2)n1,0.0
CCc1cc(NCc2cc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2cc3ccccc3nc2OC)c(=O)[nH]c1C,0.0
CCc1cc(NCc2ccc3ccccc3n2)c(=O)[nH]c1C,0.0
CCc1cc(CCc2cc3ccccc3o2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,0.0
CCc1cc(OCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,0.0
CCc1cc(NCN2C(=O)c3ccccc3C2=O)c(=O)[nH]c1C,0.0
Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(Cl)ccc12,0.0
Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(-n3ccnn3)ccc12,0.0
Cc1nc(CCCCCC[C@@H](O)c2ccccc2)n2nc(Cl)ccc12,0.0
CCc1cc(CCc2nc3ccccc3s2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2nc3c(o2)CCCC3)c(=O)[nH]c1C,0.0
Cc1nc(CCCCCOC(=O)c2ccccc2)n2nc(Cl)ccc12,0.0
CCc1cc(CCC2=N[C@@H]3CCCC[C@@H]3O2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2cc3ccccc3s2)c(=O)[nH]c1C,0.0
N#Cc1c(N)cccc1S(=O)(=O)c1ccc2ccccc2c1,0.0
CCc1cc(SCc2nc3c(Cl)ccc(Cl)c3o2)c(=O)[nH]c1C,0.0
Cc1nc(CCCCCC[C@@H](O)c2ccccc2)n2nc(-n3ccnc3)ccc12,0.0
O=C(NNc1nc2ccccc2n2cccc12)c1cnccn1,0.0
O=C(OCCc1ccc(O)c(O)c1)c1cc(O)c(O)c(O)c1,0.0
Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(-n3cncn3)ccc12,0.0
CCc1cc(CCc2cc(CC)c(C)[nH]c2=O)c(OC)nc1C,0.0
CCc1cc(NCc2cc(C)c(C)cc2OC)c(=O)[nH]c1C,0.0
CCc1cc(NCc2cc3c(nc2OC)CCCC3)c(=O)[nH]c1C,0.0
CCc1cc(NCc2nc3ccccc3s2)c(=O)[nH]c1C,0.0
CCc1cc(NCc2nc3c(cc2OC)CCC3)c(=O)[nH]c1C,0.0
Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(-n3cccc3)ccc12,0.0
O=C1c2ccccc2C(=O)N1CCNC(=S)Nc1ccc(Cl)cn1,0.0
CCc1cc(NCc2cc(C)c(C)nc2OC)c(=O)[nH]c1C,0.0
CCc1cc(NCc2nc3c(cc2OC)CCCC3)c(=O)[nH]c1C,0.0
O=C(CC(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[n-]n1,0.0
Nc1cc(Cl)nc(SCC2=CCCc3ccccc32)n1,0.0
CCc1cc(NCc2nc(C)c(C)cc2OC)c(=O)[nH]c1C,0.0
O=C(NCCC(=O)c1ccccc1F)Nc1ccc(Br)cn1,0.0
Cc1c(Cc2c(F)cccc2F)nc(SC2CCCCC2)[nH]c1=O,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)c3ccc(Cl)cc23)O1,0.0
CC(C)c1c(C(=O)NCc2ccccc2)nc(-c2ccc(F)c(F)c2)n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2CCc2ccccc2)O1,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCC2CCCCC2)O1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCCc2ccccc2)O1,0.0
CC(C)c1c(C(=O)NCc2ccccc2)c2c(n1CC[C@@H](O)C[C@@H](O)CC(=O)[O-])CCCCC2,0.0
Cc1cc(C)c(CC[C@@H]2C[C@@H](O)CC(=O)O2)c(-c2ccc(F)c(C)c2)c1,0.0
CC(C)c1c(C(=O)NCc2ccccn2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
Cc1cc(Cl)cc(CCCOc2ccc(Cl)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(OCc3ccccc3)cc2Cl)O1,0.0
CC(C)n1c(C(=O)NCc2cccc(F)c2)nc(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](CCc1ccccc1)CCC2,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2Oc2ccccc2)O1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2OCc2ccco2)O1,0.0
O=C1C[C@H](O)C[C@@H](/C=C/c2c(Cl)cc(Cl)cc2-c2ccc(F)cc2)O1,0.0
O=C([O-])C[C@H](O)C[C@H](O)CCc1c(Cl)cc(Cl)cc1OCc1ccccc1,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](C/C=C/c1ccccc1)CCC2,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](Cc1ccc3ccccc3c1)CCC2,0.0
Cc1cc(C)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(C2CCCCCC2)c1,0.0
O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1CC1CCCCC1,0.0
CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)cn1C(C)C,0.0
CC(C)c1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])nn(-c2ccc(F)cc2)c1C(=O)NCc1ccccc1,0.0
CC(C)c1c(C(=O)NCCc2ccccc2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CCn1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(C)c1C(=O)Nc1ccccc1,0.0
CCCCNC(=O)c1nn(-c2ccc(F)cc2)c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c1C(C)C,0.0
CCC(CC)(c1ccccc1)c1ccc(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c1,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2OCc2ccc(F)cc2)O1,0.0
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
CC(C)C(/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-])=C(c1ccc(F)cc1)c1ccc(F)cc1,0.0
CC(C)c1c(OC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)nc2ccccc12,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](Cc1cccc3ccccc13)CCC2,0.0
O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(F)=C1CCCCC1,0.0
CC(C)c1c(C(=O)N2CCC[C@@H](c3ccccc3)C2)nn(-c2ccc(F)cc2)c1CC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1nc(C(C)(C)C)cc(-c2ccc(F)cc2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
Cc1cc(C)c(/C=C/[C@@H]2C[C@@H](O)CC(=O)O2)c(/C=C/c2ccc(Cl)cc2)c1,0.0
CC(C)c1sc(-c2ccccc2)c(C2CCCC2)c1/C=C/[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
CC(C)c1c(C(=O)N2CCCCC2)nn(-c2ccc(F)cc2)c1OC[C@@H](O)C[C@@H](O)CC(=O)[O-],0.0
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cccs1,0.0
Oc1ccc2c(-c3cc(Cl)c(O)cc3O)noc2c1,0.0
Oc1ccc2c(-c3cc(Br)c(O)cc3O)noc2c1,0.0
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Cl,0.0
CC(=O)c1ccc(NC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCCCO,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCCO,0.0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCCc1cn(CCCO)nn1,0.0
CCCCn1c(Sc2nc3cccc(F)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cccc(C)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cccc(OC)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc21,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CCO,0.0
CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cccc(Br)c3s2)nc2c(N)ncnc21,0.0
CCCCn1c(Sc2nc3cncc(Br)c3s2)nc2c(N)ncnc21,0.0
CC(=O)OCCCn1c(Sc2nc3cncc(Cl)c3s2)nc2c(N)ncnc21,0.0
C#CCCCn1c(Sc2cccc(OC)c2)nc2c(N)ncnc21,0.0
CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CC(=O)OCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CC(C)[NH2+]CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
Oc1cc(O)c(-c2n[nH]cc2N2CCN(Cc3ccccc3)CC2)cc1Cl,0.0
CC(=O)OCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
N#CCCCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
Nc1ncnc2c1nc(Sc1cc3c(cc1Br)OCO3)n2CCCCc1cn(CCCO)nn1,0.0
C#CCCCn1c(Sc2cc3c(cc2Br)OCO3)nc2c(N)ncnc21,0.0
Nc1ncnc2c1nc(Sc1nc3cccc(Cl)c3s1)n2CC[NH2+]C1CC1,0.0
C#CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc21,0.0
CC(C)(C)[NH2+]CCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
CCOc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,0.0
C#CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc21,0.0
C#CCCCn1c(Sc2cc(OC)ccc2Cl)nc2c(N)ncnc21,0.0
C#CCCCn1c(Sc2cc(OC)ccc2OC)nc2c(N)ncnc21,0.0
Cc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1,0.0
CS(=O)(=O)c1ccc(CN2CCN(c3c[nH]nc3-c3cc(Cl)c(O)cc3O)CC2)cc1,0.0
CCCCn1c(Sc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)ncnc21,0.0
C#CCCCn1c(Sc2cc(OC)ccc2Br)nc2c(N)ncnc21,0.0
CC(C)(C)[NH2+]CCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
COc1cc(Sc2nc3c(N)nc(F)nc3n2CCOC(C)C)c(Cl)c(OC)c1OC,0.0
O=C([O-])c1ccc(NC(=O)c2cccc(OCc3ccccc3Cl)c2)nc1,0.0
CC(C)Oc1cc(OCC2CCCC2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CC(C)Oc1cc(OCc2ccccc2F)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CC(C)COc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cc1csc(NC(=O)c2cc(Sc3ncc[nH]3)ccc2N)n1,0.0
CC(C)Oc1cc(OCCC2CCCC2)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
CC(C)Oc1cc(OCCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CC(C)Oc1cc(O[C@@H](C)c2ccccc2)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
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnccn3)c2c1,0.0
O=C(Nc1ncc(F)s1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CCCC2)cc1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cnc(Cl)cn3)c2c1,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3ccccn3)c2c1,0.0
CCSc1ccc(N)c(C(=O)Nc2nc(C)cs2)c1,0.0
Cc1csc(NC(=O)c2cc(Sc3ccccc3)ccc2N)n1,0.0
COC[C@H](C)Oc1cc(OC(C)C)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4F)cc23)n1,0.0
Cc1cnc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)cn1,0.0
Cc1csc(NC(=O)c2cc(Sc3ccccn3)ccc2N)n1,0.0
CS(=O)(=O)c1ccc([C@H](CC2CCOCC2)C(=O)Nc2nc(-c3ccccc3)cs2)cc1,0.0
CC(C)Oc1cc(OCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
O=C(Nc1ncc(F)s1)[C@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CCC2)cc1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4CO)cc23)n1,0.0
Cc1cnc(NC(=O)c2cc(Sc3nncn3C)ccc2N)s1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Cl)cc23)n1,0.0
COC[C@H](C)Oc1cc(O[C@@H](C)Cc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4F)cc23)n1,0.0
Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2ccccn2)c1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4c(F)cccc4S(C)(=O)=O)cc23)n1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4ncccc4Br)cc23)n1,0.0
Cc1csc(NC(=O)c2cc(Sc3nccn3C)ccc2N)n1,0.0
Cc1csc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1,0.0
Cn1cnnc1Sc1ccc(N)c(C(=O)Nc2ncns2)c1,0.0
Cc1csc(Nc2ncnc3ccc(Oc4ccc(F)cc4)cc23)n1,0.0
CC(C)c1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1,0.0
CC(C)Oc1cc(OCCCc2ccccc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
CS(=O)(=O)c1ccc(Oc2cc(OC3CCCC3)cc(C(=O)Nc3nccs3)c2)cc1,0.0
CC(C)Cc1csc(NC(=O)[C@H](CC2CCOCC2)c2ccc(S(C)(=O)=O)cc2)n1,0.0
CNc1ccc(Sc2nncn2C)cc1C(=O)Nc1nc(C)cs1,0.0
Cc1csc(Nc2ncnc3ccc(Oc4ccccc4F)cc23)n1,0.0
O=C([O-])c1ccc(NC(=O)c2cc(OCc3ccccc3)cc(OCc3ccccc3)c2)nc1,0.0
Cn1ccc(Nc2ncnc3ccc(Oc4cnccn4)cc23)n1,0.0
Oc1ccc(CCCCc2ccc(O)c(O)c2)cc1O,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1,0.0
O=C(NCc1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1)c1ccc(F)nc1,0.0
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1,0.0
O=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccc[nH]4)cc23)c1)Nc1ccccc1Oc1ccccc1,0.0
O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1,0.0
Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)cc3)cc[nH+]c2c1,0.0
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1,0.0
NC(=O)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2[nH+]1,0.0
CNC(=[NH2+])c1cc(C)c2nc(-c3c(NC[C@@H](O)c4cccc(Cl)c4)cc[nH]c3=O)[nH]c2c1,0.0
Nc1nccn2c(C3CCC3)nc(-c3cccc(O)c3)c12,0.0
[NH3+][C@@H]1CCc2c(c3cc(OCCc4ccc(O)cc4)ccc3n2CCCCCc2ccccc2)C1,0.0
O=C(Nc1ccc(F)nc1)[C@@H]1CCC[C@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1,0.0
O=C(Nc1ccc(F)nc1)C1=C(c2nc(Nc3cc(C4CC4)[nH]n3)c3cccn3n2)CCC1,0.0
[NH3+]Cc1ccc(-c2cnc3[nH]cc(-c4cccc(NC(=O)Nc5cccc(Cl)c5)c4)c3c2)cc1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1C[C@H](C[NH3+])C1,0.0
C[C@@]1(C(=O)Nc2cnccn2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2[nH+]1,0.0
O=C(Nc1nccs1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2[nH+]1,0.0
CCCN1C=C(c2ccc(Nc3nc(Nc4ccccc4C(N)=O)c4cc[nH]c4n3)c(F)c2)CCC1,0.0
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H]([NH+]2CCC2)C1,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCc4ccccn4)cc[nH]c3=O)nc12,0.0
Nc1ncnc2c1c(-c1ccc(OCc3ccccc3)cc1)cn2[C@H]1C[C@H](C[NH+]2CCC2)C1,0.0
O=C(c1ccc(F)nc1)N1CCC[C@H]1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1,0.0
C[NH+](C)CCc1cccc(Nc2nccc(-c3c(-c4cccc(NC(=O)Cc5ccccc5)c4)nc4sccn34)n2)c1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1CC[C@H](CN2CCOCC2)CC1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1CC[C@H](C[NH+]2CCCC2)CC1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1CC[C@H](C[NH+]2CCC2)CC1,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1C[C@H](C[NH+]2CCCCC2)C1,0.0
Cc1cc(N2CCOCC2)cc2nc(-c3c(NC[C@@H](O)c4ccccc4Cl)cc[nH]c3=O)[nH]c12,0.0
Nc1ncnc2c1c(-c1cccc(OCc3ccccc3)c1)cn2[C@H]1C[C@H](C[NH+]2CCCC2)C1,0.0
CNC(=O)[C@H]1CC[C@H](c2nc(-c3cccc(OCc4ccccc4)c3)c3c(N)nccn32)CC1,0.0
O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3cccc(N4CCOCC4)c3)n2)c1,0.0
O=C(Nc1ccc(F)nc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2[nH+]1,0.0
COc1cc(N2CCOCC2)ccc1Nc1nc(Nc2cc(F)ccc2C(N)=O)c2cc[nH]c2n1,0.0
COc1cc2c(cc1Nc1nc(Nc3cccnc3C(N)=O)c3cc[nH]c3n1)N(C(=O)C[NH+](C)C)CCC2,0.0
Nc1nccn2c1c(-c1cccc(OCc3ccccc3)c1)nc2[C@H]1C[C@H](CN2CCOCC2)C1,0.0
Cc1ccc(Cl)cc1NC(=O)[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
CCCCCCc1ccc(Oc2cccc(NC(=O)C(=O)[O-])c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc(NC(C)=O)c2)c(O)c1,0.0
O=C(Nc1cccc(Br)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2cccc(NC(=O)c3ccno3)c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc([N+](=O)[O-])c2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2N)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2[N+](=O)[O-])c(O)c1,0.0
O=C(Nc1cccc(-c2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(=O)C(=O)[O-])c(O)c1,0.0
CCCCCCc1ccc(Oc2cccc(N)c2)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
CCCCCCc1ccc(Oc2ccccc2NC(C)=O)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2NC(=O)c2ccno2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccc2)c(O)c1,0.0
CCCCCCCCc1ccc(Oc2ccccc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(C)=O)cc2)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(Oc2cccnc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccncc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ncccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(=O)c3ccno3)cc2)c(O)c1,0.0
O=C(Nc1cccc(Cc2ccccc2)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
CCCCCCc1ccc(Oc2ccc(N)cc2)c(O)c1,0.0
CCCCCCc1ccc(Oc2cnccn2)c(O)c1,0.0
CCCCCCc1ccc(Oc2ccc(NC(=O)C(=O)[O-])cc2)c(O)c1,0.0
O=C(c1ccc2[nH]ccc2c1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,0.0
Cc1ccc(C(=O)N2CCN(c3cccc(Cl)c3)CC2)cc1C,0.0
CCCCCCc1ccc(Oc2ccc(CN3CC[NH+](C)CC3)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
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCCC2)C1,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
Cc1ccc(C(=O)N2CCN(C3c4ccccc4-c4ccccc43)CC2)cc1,0.0
O=C1[C@@H]2C[C@H](OCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1,0.0
O=C(N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])c1c(F)cccc1Cl,0.0
Clc1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1,0.0
N#Cc1ccc(-c2cccc(C[NH2+][C@H]3C[C@H]4C(=O)N(c5cc(Cl)cc(Cl)c5)C(=O)N4C3)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(-c2cc(NCCCn3cc[nH+]c3)ncn2)cc1C(F)(F)F,0.0
CN1C(=O)N(c2cc(Cl)cc(Cl)c2)C(=O)[C@@]1(C)Cc1ccc(Br)cc1,0.0
O=C(N[C@@H](Cc1c[nH+]c[nH]1)C(=O)[O-])c1c(F)cccc1Cl,0.0
CC(C)c1ccccc1Sc1ccc(-c2cc[nH+]c(N3CCC[C@H]3C(=O)[O-])c2)cc1C(F)(F)F,0.0
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CC=C[C@@H]2C(=O)[O-])cc1C(F)(F)F,0.0
C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nnnn21,0.0
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCC(=O)CC2)cc1[N+](=O)[O-],0.0
Nc1cccc(Sc2ccc(/C=C/C(=O)N3CCOCC3)c(C(F)(F)F)c2C(F)(F)F)c1,0.0
O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c([N+](=O)[O-])c1)NCCCN1CCCC1=O,0.0
CC(C)c1ccccc1Sc1ccc(-c2cc(N3CCOCC3)ncn2)cc1C(F)(F)F,0.0
C[C@]1(Cc2ccc(Br)cc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2nncn21,0.0
O=C(/C=C/c1ccc(Sc2ccccc2OCc2c[nH]cn2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2ccc(Cl)cc2Cl)c(Cl)c1)NCCCCCCO,0.0
CC(=O)N1CCN(C(=O)/C=C/C2=CC[C@@H](Sc3ccccc3C(C)C)C([N+](=O)[O-])=C2)CC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccccn3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
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(OCc3cccnc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3ccncc3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(OCc3c[nH]cn3)c2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2ccccc2OCc2ccccc2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
CC(C)c1ccccc1Sc1ccc(-c2cc(N3CC[C@@H](O)C3)ncn2)cc1C(F)(F)F,0.0
O=C(/C=C/c1ccc(Sc2ccccc2CN2CCOCC2)c(Cl)c1)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2ccccc2OCc2ccncc2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4cc[nH]c4c3)c(Cl)c2)CC1,0.0
CC(=O)N1CCN(c2nc(-c3ccc(Sc4ccccc4C(C)C)c(C(F)(F)F)c3)co2)CC1,0.0
O=C(/C=C/c1ccc(Sc2ccccc2OCc2cccnc2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
O=C(/C=C/c1ccc(Sc2cccc(NC3CCC3)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
O=C(/C=C/c1ccc(Sc2ccccc2OCc2ccccn2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
CC(C)c1ccccc1Sc1ccc(-c2cc[nH+]c(N3CCC[C@@H](C(=O)[O-])C3)c2)cc1C(F)(F)F,0.0
O=C(/C=C/c1ccc(Sc2ccccc2NCCCN2CCOCC2)c(Cl)c1)N1CCOCC1,0.0
Nc1nn2cccnc2c1-c1cc(OCc2ccc(F)cc2)ncn1,0.0
Nc1nn2cccnc2c1-c1cc(N[C@@H]2CCc3ccccc32)ncn1,0.0
C[C@H](Nc1ccnc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
C[C@@H](Nc1cc(-c2c(N)nn3cccnc23)ncn1)c1ccc(F)cc1,0.0
C[C@H](Nc1ccnc(-n2cnc3cnccc32)n1)c1ccccc1,0.0
C[C@@H](Nc1nccc(-n2c[nH+]c3ccncc32)n1)c1ccccc1,0.0
CC(C)(C)NS(=O)(=O)c1ccc(-c2ccc3[nH+][nH]c(N)c3c2)c(Cl)c1,0.0
C[C@H](Nc1nc(Nc2cc(C3CC3)[nH]n2)cnc1C#N)c1ccc(F)cn1,0.0
Nc1nn2cccnc2c1-c1cc(NCc2cccnc2)ncn1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
COc1cc(Nc2nc3cccc(-c4ccccn4)c3o2)cc(OC)c1OC,0.0
COc1cc(Nc2ncc3ccn(-c4ccccn4)c3n2)cc(OC)c1OC,0.0
Cc1cc(Nc2nc(O[C@@H](C)c3ccc(F)cn3)c(C#N)nc2C)n[nH]1,0.0
COC(=O)[C@@H]1CCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1,0.0
Clc1cnc2[nH]cc(-c3ccccc3)c2c1,0.0
Cc1cnc(Nc2cncc(N[C@@H](C)c3ncc(F)cn3)n2)s1,0.0
CC(C)Nc1cc(-c2c(N)nn3cccnc23)ncn1,0.0
O=C(Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1)NC1CC1,0.0
COC[C@H](C)Nc1ccnc(-n2cnc3ccc(C#N)cc32)n1,0.0
c1cc(-c2ccc3[nH]ccc3c2)nc(Nc2ccc(N3CCOCC3)cc2)n1,0.0
Cc1cc(Nc2cnc(C#N)c(N[C@H](C)c3ccc(F)cn3)n2)n[nH]1,0.0
COc1cc(Nc2ncc(C)s2)nc(N[C@@H](C)c2ncc(F)cn2)n1,0.0
O=c1[nH]c2cnc(-n3cnc4ccc(Cl)cc43)nc2n1C1CCOCC1,0.0
CS(=O)(=O)[N-]c1ccc(-c2ccnc(Nc3cccc(C[NH+]4CCCC4)c3)n2)cc1,0.0
Nc1nn2cccnc2c1-c1cc(N2CCOCC2)ncn1,0.0
Nc1nn2cccnc2c1-c1cc(N2CCC[C@@H]2c2ccc(F)cc2)ncn1,0.0
CCN(Cc1ccncc1)c1cc(-c2c(N)nn3cccnc23)ncn1,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,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
CCCN(CC(F)(F)F)C(=O)[C@@H]1CCCN(c2cc(-c3c(N)nn4cccnc34)ncn2)C1,0.0
COC[C@H](C)Nc1cc(-c2ccoc2)nc(-n2c[nH+]c3ccncc32)n1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)OC(F)(F)C(F)(F)O3)cc1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc3c(c2)C(F)(F)OC(F)(F)O3)cc1,0.0
O=C1CCc2cc(-c3ccc(C(F)(F)F)cc3)ccc2N1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F,0.0
NC(=O)Nc1ccc(-c2ccc(C(F)(F)F)cc2)cc1F,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)cc1,0.0
NS(=O)(=O)Nc1ccc(-c2ccc(C(F)(F)F)cn2)cc1,0.0
CC(C)(C)c1ccc2[nH]c3ccccc3c2c1,0.0
FC(F)(F)c1ccc2c(c1)[nH]c1ccccc12,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[NH3+])c1ccccc1,0.0
[NH3+][C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1)C1CC1,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccc(Cl)s1)N2,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1cccs1)N2,0.0
[NH3+][C@H](C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1ccccc1)C1CC1,0.0
CC1(C)CC(=O)C2=C(C1)NC(=S)N[C@@H]2c1cccc(O)c1,0.0
[NH3+]CCC[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCC1,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1ccsc1)N2,0.0
CC(C)[C@H]([NH3+])C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1,0.0
CC(C)(C)[C@H](O)C(=O)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1,0.0
CC1=C(C(=O)c2ccccc2)[C@@H](c2cccc(O)c2)NC(=S)N1C,0.0
CN(C)C(=O)N1CC(c2cc(F)ccc2F)=C[C@@]1(CCC[NH3+])c1ccccc1,0.0
CC(=O)N1N=C(c2cc(F)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1,0.0
[NH3+][C@@H](CSC(c1ccccc1)(c1ccccc1)c1ccc(C(F)(F)F)cc1)C(=O)[O-],0.0
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1CCCC2,0.0
CC(=O)C1=NN2c3cc(F)ccc3OC[C@H]2[C@@]1(CCC[NH3+])c1ccccc1,0.0
O=C(Nc1sc2c(c1C(=O)N1CCCCC1)CCCC2)c1cccs1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@@]1(CCC[NH+]1CCN(C(C)=O)CC1)c1ccccc1,0.0
CC1=C(C(=O)c2ccccc2)[C@H](c2cccc(O)c2)NC(=S)N1C,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@]1(CCC[N@@H+](C)Cc1cc(C)no1)c1ccccc1,0.0
Cc1ccc2c(c1C)CN(C(=O)N(C)C)C[C@@H]2c1cccc(O)c1,0.0
CC(=O)C1=NN(c2cc(F)ccc2F)C[C@]1(CCC[NH+]1CCN(C(C)=O)CC1)c1ccccc1,0.0
CC(=O)N1CC[NH+](CCC[C@@]2(c3ccccc3)CC(c3cc(F)ccc3F)=NN2C(C)=O)CC1,0.0
Nc1[nH][nH+]c2cccc(-c3ccc(NC(=O)C4CCCCC4)cc3)c12,0.0
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4[nH+][nH]c(N)c34)cc2)c1,0.0
Nc1[nH][nH+]c2cccc(-c3ccc(NC(=O)NC4CCCC4)cc3)c12,0.0
COc1cccc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1,0.0
Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,0.0
O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1,0.0
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3cccc4snc(N)c34)cc2)c1,0.0
Cc1ccc(F)c(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,0.0
COc1ccc(NC(=O)Nc2ccc3c(c2)NC(=O)/C3=C\c2ccc[nH]2)cc1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,0.0
c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)nncc2c1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)cncc2c1,0.0
CNC(=O)c1cc(CNc2ccsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ccccc1NCc1ccncc1,0.0
CNC(=O)c1cc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(NC1CC1)c1cc(NCc2cnc(Nc3ccccn3)s2)c(F)cc1F,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
O=C(Nc1cccc(C(F)(F)F)c1)c1ccccc1NCc1ccncc1,0.0
Nc1ncnc2c1N=C(c1ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc1)CCN2,0.0
Cc1cccc(C(=O)Nc2cccc([C@H](C)Nc3cncc(Cl)n3)c2)c1,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOCC3)[nH+]ncc2c1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cncc4c3c(N)nn4C)cc2)c1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
O=C(Nc1ccc2c(c1)CCC2)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
CC(C)(C)c1cc(NC(=O)c2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1,0.0
Cc1ccc(Nc2nc(N(C)c3ccc4c(C)n(C)nc4c3)cc[nH+]2)cc1S(N)(=O)=O,0.0
O=C(Nc1ccccc1)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1cc[nH+]c(NCCc2c[nH]c[nH+]2)c1,0.0
COc1cc2[nH+]ccc(Oc3ccc(NC(=S)NC4CCCCC4)cc3)c2cc1OC,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
c1cn(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)cn1,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)C(F)(F)O2)c1ncsc1NCc1ccncc1,0.0
C[NH+]1CCN(Cc2ccc3c(c2)-c2[nH]nc(-c4ccsc4)c2C3)CC1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1C(=O)Nc1cnc(N)nc1,0.0
Cc1ccc(C(=O)NCCC2CCCC2)cc1C(=O)Nc1ccc(N)nc1,0.0
CC(=O)Nc1cc(CNc2ccccc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)ccn1,0.0
COCCOCC#Cc1cc(-c2n[nH]c3c2Cc2ccc(Cn4cncn4)cc2-3)cs1,0.0
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
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)Cc3ccccc3OC)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)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
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(Nc2ccc(Br)cc2)nc2[nH]cnc12,0.0
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(Cl)cccc3Cl)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCO,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)Cc3ccccc3C(F)(F)F)O2)c(=O)[nH]c1=O,0.0
C=CCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21,0.0
O=c1[nH]c(Nc2cccc(Cl)c2)nc2[nH]cnc12,0.0
O=c1[nH]c(Oc2ccccc2)nc2c1ncn2CCCCO,0.0
O=c1[nH]c(=O)n([C@H]2C[C@@H](CO)[C@H](O)C2)cc1/C=C/Br,0.0
COCCn1cnc2c(=O)[nH]c(Nc3ccccc3)nc21,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCC[N@@H+]1CCC[C@H]2CCCC[C@@H]21,0.0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](CO)O2)cc1/C=C/Br,0.0
CCc1cn([C@H]2C[C@H](O)[C@@H](CNC(=O)C3c4ccccc4-c4ccccc43)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]3c4ccccc4Oc4c3cccc4C(F)(F)F)[C@@H](O)[C@@H]2F)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)C3c4ccccc4Cc4ccccc43)O2)c(=O)[nH]c1=O,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2[C@@H]1C[C@@H](O)[C@@H](CO)O1,0.0
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](CNC(=O)[C@@H]3c4ccccc4Oc4c(C)cccc43)[C@@H](O)[C@@H]2F)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)C3c4ccccc4S(=O)(=O)c4ccccc43)O2)c(=O)[nH]c1=O,0.0
CCc1cn([C@H]2O[C@H](CO)[C@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)[C@@H]3c4ccccc4Oc4c(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
Cc1cn([C@H]2O[C@H](CO)[C@H](O)[C@@H]2F)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)C3c4ccccc4S(=O)(=O)c4ccccc43)[C@@H](O)[C@@H]2F)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)C3c4ccccc4Oc4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,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
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)C3c4ccccc4Sc4ccccc43)[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]2O[C@H](CNC(=O)C3c4ccccc4C(C)(C)c4ccccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,0.0
CCc1cn([C@@H]2O[C@H](CNC(=O)C3c4cccc(C)c4Oc4c(C)cccc43)[C@@H](O)[C@@H]2F)c(=O)[nH]c1=O,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
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(OCCCCc1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
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
NC(N)=[NH+]CCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,0.0
CCCCCCCCCCCCCC[C@H]1C(=O)O[C@@H](CO)[C@@H]1OC(C)=O,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
COc1ccc(C2=NOC(=O)/C2=C\c2cccs2)cc1,0.0
COc1cc(Nc2nccc(-c3ccc(NCC[NH3+])nc3)n2)cc(OC)c1OC,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
CCCCCCCCCCc1cccc2c1C[C@@H](CO)OC(=O)[C@H](C(C)C)N2C,0.0
O=C1NC(=O)c2c1c1c(c3[nH]c4ccccc4c23)CCc2ccccc2-1,0.0
CC(C)=C1C[C@@](CO)(COC(=O)COc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,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
NC(=[NH2+])SCCCn1cc(C2=C(Nc3ccccc3)C(=O)NC2=O)c2ccccc21,0.0
O=C(N[C@@H]1CCCCC[C@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1)c1ccc(O)cc1,0.0
[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
CC(C)=C1C[C@@](CO)(COC(=O)CCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
O=C(N[C@@H]1C[NH2+]C[C@@H]1OC(=O)c1cc(O)c(C(=O)c2c(O)ccc3c2CCCC3)c(O)c1)c1ccc(O)cc1,0.0
O=C1NC(=O)C(c2cn(CCC[NH+]3CCCC3)c3ccccc23)=C1Nc1ccccc1,0.0
O=C1NC(=O)C(c2cn(CCC[NH+]3CCCCC3)c3ccccc23)=C1Nc1ccccc1,0.0
C[NH+]1CCN(CCCn2cc(C3=C(Nc4ccccc4)C(=O)NC3=O)c3ccccc32)CC1,0.0
CC(C)=C1C[C@@](CO)(COC(=O)c2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
NC(=[NH2+])SCCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
Cn1cc(C2=C(c3cn([C@H]4CC[N@H+](CC5CC5)CC4)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
O=C(N[C@@H]1CCC[NH2+]C[C@H]1NC(=O)c1ccc(O)cc1)c1cc(O)c(C(=O)c2c(O)cccc2C(=O)[O-])c(O)c1,0.0
Cc1cccc(C2=C(c3cn(C)c4ccccc34)C(=O)NC2=O)c1,0.0
C[NH+](C)CCCn1cc(C2=C(c3cccc4ccccc34)C(=O)NC2=O)c2cccnc21,0.0
Cn1cc(C2=C(c3cn(CCCSC(N)=[NH2+])c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
CC[N@H+]1CC[C@H](n2cc(C3=C(c4cn(C)c5ccccc45)C(=O)NC3=O)c3ccccc32)CC1,0.0
Cc1ccc(O)cc1Nc1nccc(-n2cnc3ccccc32)n1,0.0
C[C@H](Nc1nccc(-n2cnc3ccc(N)cc32)n1)c1ccccc1,0.0
Cc1[nH]c(=O)c2c(ccc3[nH]c(Nc4c(Cl)cc(Cl)cc4Cl)nc32)c1C,0.0
c1ccc(Oc2ccc(Nc3ncnc4ccccc34)cc2)cc1,0.0
Cc1ccc(O)cc1Nc1ccnc(Nc2cccc(S(N)(=O)=O)c2)n1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1,0.0
Nc1ccc2c(c1)C(=O)/C(=C/c1cc(Br)c(O)c(Br)c1)C2,0.0
Cc1ccccc1-c1ccc2nc(N)ncc2c1,0.0
Cc1cc(C)c(NC(=O)c2sc(NC(=O)c3ccccc3)nc2C)c(C)c1,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccc2)s1,0.0
Cc1ccc2[nH]ncc2c1Nc1ccnc(Nc2cccc(C(N)=O)c2)n1,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC,0.0
NC(=O)c1cccc(Nc2nccc(Nc3cccc4ncccc34)n2)c1,0.0
O=C([O-])c1cc(CCc2ccc(O)c(O)c2)ccc1O,0.0
O=C1NCCc2ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc3c21,0.0
O=C([O-])c1cc(/C=C/c2cc(O)ccc2O)ccc1O,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(NC2CCCCC2)s1,0.0
O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC,0.0
Cc1cc(C)nc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)n1,0.0
C[C@H](Nc1nccc(-n2cnc3cc(-c4ccncc4)ccc32)n1)c1ccccc1,0.0
CC(C)(C)n1cc(-c2ccc(Oc3ccc(O)cc3)cc2)c2c(N)ncnc21,0.0
Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1,0.0
Nc1ncnc2c1c(-c1cccc(Oc3ccccc3)c1)cn2C1CCCC1,0.0
Cc1cccc(C)c1NC(=O)c1cnc(Nc2cccn[nH+]2)s1,0.0
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCC1,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccnc2)s1,0.0
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@@H]1CC[NH2+]C1,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cc[nH+]cc2)s1,0.0
Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(C)n1,0.0
COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(F)c3)c1C2,0.0
O=C([O-])c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@@H]1CCOC1,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccnnc2)s1,0.0
O=C(Nc1cccc(Nc2nccc(Nc3cccc(C(F)(F)F)c3)n2)c1)C1CC1,0.0
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@@H]1CNOC1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3ccccc3)sc2c1,0.0
C[C@H](Nc1nccc(-n2cnc3cc(-c4ccnc(N)n4)ccc32)n1)c1ccccc1,0.0
CC(C)(C)c1cc(NC(=O)Nc2cccc(Oc3cccc4[nH]c(=O)[nH]c34)c2)n(-c2ccccc2)n1,0.0
O=c1ccc2ncn(CCOc3ccc(Cc4ccccc4)cc3)c2[nH]1,0.0
N#Cc1ccc2c(ncn2CCOc2ccc(Cc3ccccc3)cc2)n1,0.0
c1ccc(Cc2ccc(OCCn3c[nH+]c4ccncc43)cc2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cccc4ncnc3-4)cc2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cnc4ncncc43)cc2)cc1,0.0
[O-][n+]1ccc2c(c1)ncn2CCOc1ccc(Cc2ccccc2)cc1,0.0
c1ccc(Cc2ccc(OCCN3C[C@@H]4C[C@H]3C[NH2+]4)cc2)cc1,0.0
c1ccc(Cc2ccc(OCC[n+]3ccc4[nH]cnc4c3)cc2)cc1,0.0
c1ccc2[nH]c(Oc3ccc(OCC[NH+]4CCCCCC4)cc3)nc2c1,0.0
c1ccc2oc(Oc3ccc(OCC[NH+]4CCCCCC4)cc3)nc2c1,0.0
c1ccc(Cc2ccc(OCC[NH+]3CCCCCC3)cc2)cc1,0.0
C[C@@H]1CCC[C@@H](C)[NH+]1CCOc1ccc(Cc2ccccc2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cncc4ncnc3-4)cc2)cc1,0.0
c1ccc(Cc2ccc(OCCc3ccncc3)cc2)cc1,0.0
c1ccc(Cc2ccc(OC[C@@H]3C[NH2+]CCN3)cc2)cc1,0.0
O=C(C[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1c[nH]c2ccccc12)C(=O)[O-])NO,0.0
c1ccc(-c2ccc(OCC[NH+]3CCCC3)cc2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cnc4cncnc43)cc2)cc1,0.0
c1ccc(Cc2ccc(OC[C@@H]3CN(Cc4ccccc4)CC[NH2+]3)cc2)cc1,0.0
c1ccc(Cc2ccc(CCC[NH+]3CCCC3)cc2)cc1,0.0
O[C@H]1CC[N@H+](CCOc2ccc(Oc3nc4ccccc4o3)cc2)CC1,0.0
c1ccc2[nH]c(Oc3ccc(OCC[NH+]4CCCCC4)cc3)nc2c1,0.0
c1ccc(Cc2ccc(OC[C@H]3CCC[NH2+]3)cc2)cc1,0.0
c1ccc(CCc2ccc(OCC[NH+]3CCCC3)cc2)cc1,0.0
FC(F)(c1ccccc1)c1ccc(OCC[NH+]2CCCC2)cc1,0.0
c1ccc2sc(Oc3ccc(OCC[NH+]4CCCC4)cc3)nc2c1,0.0
c1ccc2oc(Oc3ccc(OCC[NH+]4CCCC4)cc3)nc2c1,0.0
c1cc(OCC[NH+]2CCCC2)ccc1CC1CCCCC1,0.0
c1ccc2[nH]c(Oc3ccc(OCC[NH+]4CCCC4)cc3)nc2c1,0.0
c1ccc(Cc2ccc(OCCN3CC[NH2+]CC3)cc2)cc1,0.0
c1ccc(Cc2ccc(OCC[NH+]3CCCC3)nc2)cc1,0.0
c1ccc(Cc2ccc(SCC[NH+]3CCCC3)cc2)cc1,0.0
c1ccc(Cc2ccc(OCCn3cnc4ncnc-4c3)cc2)cc1,0.0
c1ccc(Cc2ccc([C@H]3C[C@H]([NH+]4CCCC4)C3)cc2)cc1,0.0
c1ccc2oc(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(OC[C@H](O)c2ccccc2)cc1)C(=O)[O-],0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(OCCCc2ccccc2)cc1)C(=O)[O-],0.0
N#Cc1nccc2c1ncn2CCOc1ccc(Cc2ccccc2)cc1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)c1nc[nH]n1,0.0
c1ccc2sc(Oc3ccc(OCC[NH+]4CCCCCC4)cc3)nc2c1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(OCC(=O)c2ccccc2)cc1)C(=O)[O-],0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccc(C#N)c4)cc3c21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccc(O)cc4)c3)cc21,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccnc4)cc3c21,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccncc4)cc3c21,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4ccc(C(N)=O)cc4)cc3c21,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cnccn4)cc3c21,0.0
Nc1nccc(Nc2cc(-c3ccc4ccccc4c3)c3[nH]ncc3c2)n1,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccncc4)c3)cc21,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cccnc4)c3)cc21,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3ccc(F)cc3F)c2n(C)c1=O,0.0
COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCC4)c(N)n2)cc1,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cncnc4)c3)cc21,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)NCC[NH3+])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)NCCC(N)=O)cs4)cc3c21,0.0
[NH3+]C[C@@H]1Cn2c(cc3ccc(C(=O)Nc4nccs4)cc32)C(=O)N1,0.0
O=C(Nc1cc(-c2cc3c(=O)[nH]cnc3[nH]2)ccn1)c1ccc(C2CCCC2)cc1,0.0
COc1cccc(COc2ccc3sc4c(c3c2)NC[C@@H](C)NC4=O)c1,0.0
O=C1NCCc2[nH]c(-c3ccnc(Cl)c3)cc21,0.0
[NH3+]C[C@H]1Cc2c([nH]c3ccc(C(=O)Nc4cccnc4)cc23)C(=O)N1,0.0
Nc1nccc(Nc2ccc3[nH]nc(-c4ccc5ccccc5c4)c3c2)n1,0.0
COc1ccc2sc3c(c2c1)NC[C@@H](CO)NC3=O,0.0
COc1ccc2sc3c(c2c1)NC[C@@H](C[NH3+])NC3=O,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1cc2cnn(-c3c(F)cccc3F)c2n(C)c1=O,0.0
Cc1ccncc1-c1ccc2c(ccc3sc4c(c32)NC[C@H](C)NC4=O)n1,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccc5ccccc5c4)c3)cc21,0.0
Nc1nn(-c2cccc(-c3cccc(O)c3)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
C[C@@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1cccc(O)c1,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5ccccc5F)ccc4c23)C(=O)N1,0.0
O=C1NCCc2[nH]c(-c3ccncc3)cc21,0.0
[NH3+]C[C@H]1CNC(=O)c2cc3ccc(C(=O)Nc4cccnc4)cc3n2C1,0.0
O=C1NCCc2[nH]c(-c3ccnc(/C=C/c4ccccc4)c3)cc21,0.0
Nc1nn(-c2cccc(-c3ccc4nc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4cnc5ccccc5c4)c3)cc21,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5ccccc5)ccc4c23)C(=O)N1,0.0
O=C1N=CN=C2N=C([C-]3C=CNC(/C=C/c4ccc(CN5CCOCC5)cc4)=C3)C=C12,0.0
Nc1nn(-c2cccc(-c3ccc4cc[nH]c4c3)c2)cc1-c1ccc2c(c1)CCNC2=O,0.0
C[C@H]1CNc2c(sc3ccc4c(c23)CCO4)C(=O)N1,0.0
C[C@H]1CNc2c(sc3ccc4nc(-c5cccnc5)ccc4c23)C(=O)N1,0.0
COc1cccc(-c2cccc(-n3cc(-c4ccc5c(c4)CCNC5=O)c(N)n3)c2)c1,0.0
Cc1cc(C)c(S(=O)(=O)N[C@H](C)Cc2c[nH]c3ccccc23)c(C)c1,0.0
C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cc(Cl)cc1Cl,0.0
CC(C)(C[C@@](C)(O)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cc(F)ccc3O)C(F)(F)F)cc12,0.0
CC(C)(C[C@](O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1cc(F)ccc1O,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(C(=O)Nc1ccc2c(=O)onc(C)c2c1)C(F)(F)F,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cccc4c3OCC4)C(F)(F)F)cc12,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CN1C[C@@H](C)O[C@@H](C)C1)C(F)(F)F,0.0
C[C@@](c1ccc(F)cc1F)(c1c[nH]c2c([N-]S(C)(=O)=O)cccc12)C1CC1,0.0
CCOc1cc(C2=NN(c3ccc(C#N)c(Cl)c3)[C@@H](C3CCCC3)C2)ccc1C(=O)[O-],0.0
Cc1cc(-c2ccc(F)c3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,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
COc1cc(C(=O)[O-])ccc1C1=NN(c2ccc(C#N)c(Cl)c2)[C@@H](C2CCCC2)C1,0.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cc1ccc(C#N)c2ccccc12)C(F)(F)F,0.0
O=c1[nH]c(N2CCC(c3cccc(Cl)c3)CC2)c(Cc2ccccc2)c(=O)[nH]1,0.0
CC(C)(C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F)c1cccc2c1OCC2,0.0
CC(C)(C[C@](O)(Cc1ccccc1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(Cc3ccccc3)CC(C)(C)c3cc(F)ccc3O)cc12,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCOc2ccccc21)C(F)(F)F,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc(C)cc(C)c1)C(F)(F)F,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)(Cn1cc(C)[nH+]c1C)C(F)(F)F,0.0
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC3CCCCC3)CC(C)(C)c3cc(F)ccc3O)cc12,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2ccccc21)C(F)(F)F,0.0
CC(C)[C@@H]1CC(c2ccc(C(=O)[O-])cc2)=NN1c1ccc(C#N)c(Cl)c1,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(CN1CCC(=O)c2ccccc21)C(F)(F)F,0.0
Cc1c([N-]S(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccccc1,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(CNc1ccc2c(c1)COC2=O)Cc1ccccc1,0.0
COc1ccc(F)cc1C(C)(C)C[C@](O)(Cn1ccc(=O)c2cnccc21)C(F)(F)F,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1c(C)ccc2ccccc12)C(F)(F)F,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)[C@](C)(c1ccsc1)OCC(=O)N2,0.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1cc(F)ccc1O,0.0
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@H]3[C@H]2C2CCCC2)ccc1C#N,0.0
Cc1cc(N2N=C3c4ccc(C(=O)[O-])cc4CO[C@@H]3[C@@H]2C2CCCC2)ccc1C#N,0.0
CS(=O)(=O)[N-]c1ccc2c(c1)[C@@H](c1ccccc1)Oc1cccc(OC(F)F)c1-2,0.0
N#Cc1ccc(N2N=C(c3ccc(C(=O)[O-])cc3)C[C@H]2c2ccco2)cc1,0.0
C[C@H](Oc1ccc2ncc([C@@H]3C[C@@H]3C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1,0.0
Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O,0.0
Oc1ccc(Cc2nnc3ccc(-c4ccco4)nn23)cc1,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
Nc1nc(Nc2ccc(S(N)(=O)=O)cc2)nn1C(=O)c1c(F)cccc1F,0.0
O=C(CC(=O)Nc1ccc(Oc2ccnc3ccsc23)c(F)c1)Nc1ccccc1,0.0
Oc1ccc(Cc2nnc3ncc(-c4ccccc4)cn23)cc1,0.0
Oc1ccc(Cc2nnc3ncc(-c4ccccc4)nn23)cc1,0.0
O=C(CC(=O)Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)Nc1ccc(F)cc1,0.0
O=[N+]([O-])c1ccccc1CCn1ccc2ncccc21,0.0
O=C(Nc1ccc(F)cn1)c1cccnc1Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1,0.0
CC(C)CCn1cccc(C(=O)Nc2ccc(Oc3ccnc4[nH]ccc34)c(F)c2)c1=O,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2cccnc2)c1=O,0.0
O=C(Nc1ccc(F)cc1F)c1cnccc1Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1,0.0
Oc1ccc(Cc2nnc3ccc(-c4ccsc4)nn23)cc1,0.0
O=C1c2ccc(O)c(O)c2OC[C@]1(O)Cc1ccc(O)c(O)c1,0.0
COc1ccc2c(OCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1,0.0
Nc1cc(Oc2ccc(Nc3ncccc3C(=O)Nc3ccc(F)cc3F)cc2F)cc[nH+]1,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ccnc3[nH]cc(CO)c23)c(F)c1,0.0
O=C(Nc1ccc(F)cc1F)c1nccnc1Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1,0.0
COc1cnc2c(NCc3nnc4ccc(-c5cc(C)ns5)nn34)ccnc2c1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccc(-c2ccccc2)n1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccc(O)cc4)c3n2)CC1,0.0
Nc1cc(Oc2ccc(Nc3nccnc3C(=O)Nc3ccc(F)cc3F)cc2F)cc[nH+]1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccc(-c2ccccc2)[n+]1[O-],0.0
Cc1csc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)c1,0.0
CC(=O)N1CCC(n2cc(-c3cnc(N)c(-c4nc5ccccc5o4)c3)cn2)CC1,0.0
Cc1ccccc1NC(=O)c1cccnc1Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1,0.0
COc1cc2nccc(Oc3ccc(N[C@H](CC(=O)Nc4ccccc4)C(F)(F)F)cc3F)c2cc1OC,0.0
CNC(=O)c1ccc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)cc1Cl,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1c[nH]cc(-c2ccc(F)cc2)c1=O,0.0
O=C1N=CN=C2N=C([C-]3C=CNC(/C=C/c4ccc(CN5CCOCC5)cc4)=C3)C=C12,0.0
Nc1cnc2ccn(S(=O)(=O)c3c(Cl)nc4sccn34)c2c1,0.0
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,0.0
COc1ccc2c(OCc3nnc4ccc(-c5cc(F)c(F)c(F)c5)nn34)ccnc2c1,0.0
C[NH+](C)CCOc1ccc(/C=C/C2=C[C-](C3=NC4=NC=[NH+]C(=O)C4=C3)C=CN2)cc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)Cc1c[nH]c2ccccc12,0.0
O=C(N[C@H](CO)c1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
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)c1ccc(F)c(Cl)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(NCc1ccc(F)c(F)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
O=C(N[C@H](CO)c1ccc(F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(N[C@H](CO)c1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(NOCc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
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)c1ccccc1F)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4cccnc4)cc3c21,0.0
O=C(N[C@H](CO)c1cc(Cl)cc(Cl)c1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(NCc1ccccc1)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
O=C(NCCc1cccnc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(N)=O)cs4)cc3c21,0.0
C[C@@H](NC(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)c1ccccc1,0.0
CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
O=C(NC[C@@H]1CCCO1)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
O=C(NCc1ccncc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCCC1,0.0
CN(Cc1ccccc1)C(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C(N[C@H](CO)c1ccc(Cl)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
COc1ccc(CNC(=O)c2cc(-c3[nH]ncc3-c3cccc(Cl)c3)c[nH]2)cc1,0.0
O=C(c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1)N1CCc2ccccc2C1,0.0
CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
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
Cc1cccc([C@@H](CO)NC(=O)c2cc(-c3nc(Nc4ccccc4)ncc3C)c[nH]2)c1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1cnc(Nc2ccccc2F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
Cc1cnc(Nc2ccccc2O)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
O=C(N[C@H](CO)c1ccc(C(F)(F)F)cc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1,0.0
Cc1cnc(Nc2ccccc2Cl)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(F)c2)c1,0.0
Cc1cnc(Nc2ccccc2)nc1-c1c[nH]c(C(=O)N[C@@H](CO)c2ccccc2)c1,0.0
CCc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3ccccc3)c2)n1,0.0
Cc1cnc(Nc2cccc(F)c2C)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2cccc(Cl)c2)c1,0.0
Cc1ccccc1Nc1ncc(C)c(-c2c[nH]c(C(=O)N[C@H](CO)c3cccc(Cl)c3)c2)n1,0.0
Nc1ncnc2c1c(I)cn2[C@@H]1O[C@H](CO)[C@@H](O)[C@H]1O,0.0
NC(=O)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1ccco1,0.0
Fc1ccc(Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)cc1,0.0
O=C(NCc1ccccc1)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
c1ccc(-c2ccnc(Nc3ccc(-n4cncn4)cc3)n2)cc1,0.0
CNC(=O)C[N@H+]1CC[C@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)CC1,0.0
O=C(Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1)c1cccnc1,0.0
CNC(=O)C[N@H+]1CC[C@H](Nc2nccc(-c3cnc4ccccn34)n2)CC1,0.0
O=C(Nc1cc(-c2ccnc(Nc3ccc(F)cc3)c2)ccn1)C1CCOCC1,0.0
COCCC(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2ccccn2)n1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCc2cccnc2)n1,0.0
N#C[C@H](c1ccnc(NCCc2cccnc2)n1)c1nc2ccccc2s1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCn2cccn2)n1,0.0
CC(=O)N1CCC(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)CC1,0.0
CCOc1nc(C(=O)NCc2ccccc2S(N)(=O)=O)cc(N)c1C#N,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2cccnc2)n1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCn2cc[nH+]c2)n1,0.0
CCNC(=O)N1CC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCN2CCOCC2)n1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2ccccn2)n1,0.0
N#C[C@H](c1ccnc(NCCc2c[nH]c[nH+]2)n1)c1nc2ccccc2s1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCCN2CCOCC2)n1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCc2ccncc2)n1,0.0
Cn1c[nH+]cc1CCNc1nccc(/C(C#N)=C2\Nc3ccccc3S2)n1,0.0
Cn1c[nH+]c(CCNc2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)c1,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCn2cncn2)n1,0.0
CN(C)c1c(-c2ccnc(N[C@H]3CC[C@H](O)CC3)n2)cnn1Cc1ccccc1,0.0
O[C@H]1CC[C@H](c2n[nH]cc2-c2ccnc(NC3CCCC3)n2)CC1,0.0
CO[C@H]1CC[C@H](C(=O)Nc2cc(-c3ccnc(Nc4ccc(F)cc4)c3)ccn2)CC1,0.0
CC(=O)N1CCCC[C@@H]1C(=O)Nc1cc(-c2ccnc(Nc3ccccc3)c2)ccn1,0.0
COc1ccc(CCNc2nccc(/C(C#N)=C3\Nc4ccccc4S3)n2)cc1,0.0
COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc2ccccc12,0.0
NC(=O)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@@H]3CCCc4ccccc43)c2)[nH]1,0.0
Nc1c(C(=O)c2cccc(-c3cccnc3)c2)cnn1-c1ccc(F)cc1F,0.0
COC(=O)c1oc(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl,0.0
O=c1[nH]c(-c2ccc(F)cc2)c(-c2ccnc(N[C@H]3CC[C@H](O)CC3)c2)[nH]1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(C3CC[NH2+]CC3)noc2c1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(-c3ccccc3F)nncc2c1,0.0
CCN(C(=O)c1cccc(C)c1)c1ccnc(N[C@@H](C)c2ccccc2)n1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2nc(N)[nH]c(=O)c2c1,0.0
CC[C@@H](C)Nc1nc2ccc(-c3[nH]cnc3-c3ccccc3F)cc2s1,0.0
Cc1nc(-c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)cc2)no1,0.0
CC1(c2nnc3ccc(Sc4ccc(F)cc4F)cn23)CC1,0.0
CCCCn1c(=O)[nH]c2cc(-c3cc(C(=O)NC4CC4)ccc3C)ccc2c1=O,0.0
Nc1c(C(=O)c2cccc(-c3ccncc3)c2)cnn1-c1ccc(F)cc1F,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2ccccc2)s1,0.0
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3ccccn3)c2)[nH]1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(=O)n(CC3CC3)nnc2c1,0.0
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NCc3cccnc3)c2)[nH]1,0.0
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(NC[C@@H](C)c3ccccc3)c2)[nH]1,0.0
CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)on1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)nncc2c1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(OC(C)C)cncc2c1,0.0
CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)no1,0.0
CSc1nc(-c2cc[nH+]c(N[C@H](C)C3CCCCC3)c2)c(-c2ccc(F)cc2)[nH]1,0.0
Cc1nnc(-c2ccc(-c3cc(C(=O)NC4CC4)ccc3C)c(C)c2)o1,0.0
CC(C)C1=NN[C@H]2C=CC(Cc3ccc(F)cc3F)=CN12,0.0
CC(C)(C)c1cc(NC(=O)Nc2cccc(Cl)c2Cl)[nH]n1,0.0
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(Nc3ccccc3)c2)[nH]1,0.0
CSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H](C)CCc3ccccc3)c2)[nH]1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc(C(=O)NCCCO)cc1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc4ccccc4c3)cc2)CCOCC1,0.0
O=C(NO)[C@H]1CN(Cc2ccc(Oc3ccc4ccccc4c3)cc2)C(=O)N1,0.0
C=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(Oc3ccccc3)cc2)C1,0.0
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)CCCCC1,0.0
O=C(NO)[C@@]1(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOC1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCCC1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Sc3ccc(F)cc3)cc2)CCOCC1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(OCc3ccccc3)cc2)CCOCC1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3cc(Cl)ccn3)cc2)CCOCC1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CC1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(-c3ccc(F)cc3)cc2)CCOCC1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3cccc4ccccc34)cc2)CCOCC1,0.0
O=C(NO)[C@H]1CN(Cc2ccc(OCc3ccccc3)cc2)C(=O)N1,0.0
O=C1N[C@@H](C(=O)NO)C[C@H]1c1ccc(-c2ccc(F)cc2)cc1,0.0
COc1ccc(-c2ccc(S(=O)(=O)c3ccccc3[C@@H](C)C(=O)NO)cc2)cc1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)CCSCC1,0.0
O=C(NO)[C@@]1(O)COCC[C@H]1S(=O)(=O)c1ccc(OCc2ccc(Cl)cc2)cc1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3cccnc3)cc2)CCOCC1,0.0
N[C@@](CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)(C(=O)NO)c1ccccc1,0.0
O=C(NO)C1(CS(=O)(=O)c2ccc(Oc3ccc(Cl)cc3)cc2)CCOCC1,0.0
O=C(NO)[C@]1(NS(=O)(=O)c2ccc(Oc3ccc(F)cc3)cc2)C[C@H]2CC[C@@H](C1)O2,0.0
Cc1ccc(Oc2ccc(S(=O)(=O)[C@@H]3CCOC[C@]3(O)C(=O)NO)cc2)cc1,0.0
C[C@](N)(CS(=O)(=O)c1ccc(Oc2ccccc2)cc1)C(=O)NO,0.0
O=C(NO)[C@H]1CN(Cc2ccc(Oc3ccc(F)cc3)cc2)C(=O)N1,0.0
C=C1C[C@H](C(=O)NO)N(S(=O)(=O)c2ccc(OCCCC)cc2)C1,0.0
COc1ccc(Oc2ccc(S(=O)(=O)Cc3cccn([O-])c3=O)cc2)cc1,0.0
C[C@@]1(O)CCCN(S(=O)(=O)c2ccc(OCc3ccccc3F)cc2)[C@H]1C(=O)NO,0.0
O=S(=O)(c1ccc(Oc2ccccc2)cc1)[C@@H]1CCC[C@@H](S)C1,0.0
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)CCS(=O)(=O)CC1,0.0
COc1ccc(S(=O)(=O)NC2(C(=O)NO)CCCCC2)cc1,0.0
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([C@H](O)c2ccc3ccccc3c2)c1,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(Cc3ccccc3)cc2)s[nH]c1=O,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(S(=O)(=O)c3ccccc3)cc2)s[nH]c1=O,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(Oc3cccc(F)c3F)cc2)s[nH]c1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)c2cccc3ccccc23)c1,0.0
C[NH+]1CCN(c2ccc3nc(-c4c(N)c5c(F)cccc5[nH]c4=O)[nH]c3c2)CC1,0.0
Cn1cc(C(N)=O)c(Nc2ccc(I)cc2F)cc1=O,0.0
C[C@@H](O)c1cccc(/C(C#N)=C(\N)Sc2ccccc2N)c1,0.0
CC(=O)n1cc(Nc2ccc(I)cc2F)c(C(=O)NOCCO)c1,0.0
Cc1c(Cc2ccccc2)c(=O)oc2cc(OC(=O)C3CC3)ccc12,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc(C(=O)c2ccccc2)c1,0.0
N/C(=[NH+]\N1CCOCC1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
N/C(=[NH+]\C[C@@H]1CCCO1)c1c(Nc2ccc(Oc3cc(Cl)ccc3Cl)cc2)s[nH]c1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1ccccc1Oc1ccccc1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc(Oc2ccccc2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccoc2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccco2)c1,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1ccc(Oc2ccccc2)cc1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc(C#N)cc2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)C2CCCCC2)c1,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2cccc(Cl)c2Cl)s[nH]c1=O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@H](O)Cc2ccccc2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1ccc(C(=O)c2ccccc2)cc1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccccn2)c1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccsc2)c1,0.0
N#C/C(=C1/Nc2ccccc2S1)[C@H](C#N)c1nc2ccccc2s1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccncc2)c1,0.0
c1nc2c(NC3CCCCC3)nc(Nc3ccc(N4CCOCC4)cc3)nc2[nH]1,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2cccnc2)c1,0.0
O=C1CCNC(=O)c2[nH]c(Br)cc21,0.0
N#CC(=C(/N)Sc1ccccc1N)/C(C#N)=C(/N)Sc1ccccc1N,0.0
Cc1[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c(C)c1C(=O)NC[C@@H](O)CN1CCOCC1,0.0
CCOC(=O)c1cn2ncc(C#N)c(Nc3ccc(Cc4ccccc4)cc3)c2c1C,0.0
COc1cc2ncc(C#N)c(Nc3ccc(Cc4ccccc4)cc3)c2cc1OC,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2ccc(-c3nnn[n-]3)cc2)c1,0.0
[NH2+]=C1Nc2cc(C[NH2+]Cc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
[NH2+]=C1Nc2cc(CCNCc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
Nc1cccc(-c2ccc(OC[C@@H]3C[C@H]4CC[N@@H+]3CC4)c3ccccc23)[nH+]1,0.0
CN(Cc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+](CCc2ccccc2)CC1,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3c2CCC3)[nH+]1,0.0
N/C(=N\c1ccc2nc(NCCc3ccccn3)sc2c1)c1cccs1,0.0
C[N@@H+]1CCC[C@@H]1COc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCC2,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3c2CCCC3)[nH+]1,0.0
Cc1cc(N)[nH+]c(C[C@H]2C[NH2+]C[C@H]2NCCOCCc2cccc(F)c2)c1,0.0
CCSC(=[NH2+])Nc1ccc(OCc2ccccc2)cc1,0.0
C[NH+](C)C1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)CC1,0.0
CCSC(=[NH2+])Nc1ccc(Oc2ccccc2)cc1,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3c2CCCC3)CC1,0.0
Nc1cccc(-c2ccc(OCC[NH+]3CCCC3)c3ccccc23)[nH+]1,0.0
[NH2+]=C1Nc2ccccc2[C@H]2CCC[C@@]12F,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3c2CCC3)CC1,0.0
Cc1cc(N)[nH+]c(C[C@H]2C[NH2+]C[C@H]2NCC[NH2+]Cc2ccc(Cl)cc2)c1,0.0
C[N@@H+]1CC[C@@H](Oc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)C1,0.0
Cc1cc(N)[nH+]c(C[C@@H]2C[NH2+]C[C@@H]2OCC[NH2+]CCOc2cccc(F)c2)c1,0.0
N/C(=N\c1ccc2sc(N)nc2c1)c1cccs1,0.0
C[NH+]1CCN(CCOc2ccc(-c3cccc(N)[nH+]3)c3ccccc23)CC1,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2c1CCCC2,0.0
NC1=[NH+][C@H](Cc2ccccc2)CCC1,0.0
N/C(=N\[N+](=O)[O-])NCCC[C@H]([NH3+])C(=O)NC1CC[NH2+]CC1,0.0
Nc1cccc(-c2ccc(CCN3CC[NH+](CCc4ccccc4)CC3)cc2)[nH+]1,0.0
C[NH+](C)CCOc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
C[C@@H]1CC(=[NH2+])Nc2ccccc21,0.0
CC(C)c1cc(CCC[NH2+]Cc2cccc(/N=C(/N)c3cccs3)c2)cc(C(C)C)c1O,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]1Oc1ccccc1,0.0
CCCN(CCc1cccc(-c2ccccc2)c1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,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[C@@H](CC1CCCCC1)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
CCCCCCC[C@H](CC)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,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(CCCc1ccccc1)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(=O)C(F)(F)F,0.0
CCCN(CCc1ccc(Cc2ccccc2)cc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
CC(=O)Nc1ccc(C(=O)[O-])cc1NC(N)=[NH2+],0.0
CC(=O)N[C@@H]1[C@@H]([NH3+])CC(C(=O)[O-])=C[C@H]1OC1CCCC1,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(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
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
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(O)O)=C[C@H](N)[C@H]1NC(C)=O,0.0
CCCN(CCc1ccc(-c2ccccc2)cc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,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
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]([C@@H](O)[C@H](O)CO)OC(C(O)O)=C[C@@H]1NC(N)=[NH2+],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[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](CC(C)C)[C@@H]1[NH2+][C@@H](C(=O)[O-])C[C@H]1c1ncc[nH]1,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@H]1CC=CCO1,0.0
CCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@@H]1CC=CCO1,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
C=CC[C@H](O)[C@H](NC(C)=O)[C@@H]1[NH2+][C@@H](C(=O)[O-])C[C@H]1/C=C\C,0.0
C=C[C@H](O)[C@H](NC(C)=O)[C@@H]1[NH2+][C@@H](C(=O)[O-])C[C@H]1/C=C\C,0.0
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@@H](O)CC,0.0
CC(=O)N[C@H]1[C@H]([NH+]2CCCCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@@H]1CCC=CCO1,0.0
C/C=C\[C@@H]1C[C@H](C(=O)[O-])[NH2+][C@H]1[C@@H](NC(C)=O)[C@@H](O)CCC,0.0
CC(=O)N[C@H]1[C@H]([N@@H+]2[C@@H]3CCC[C@H]2CC3)C=C(C(=O)[O-])C[C@@H]1N,0.0
CC(=O)N[C@@H](CC(C)C)[C@@H]1[NH2+][C@@H](C(=O)[O-])C[C@H]1c1ccon1,0.0
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
CCCN(CCC)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+]2CCCC2)C=C(C(=O)[O-])C[C@@H]1N,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C(=O)Oc3ccccc3)C2)[nH]1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](c3ccccc3)C2)[nH]1,0.0
O=C([O-])C[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1,0.0
O=C([O-])CC[C@@H](CSc1ccc(Cc2ccccc2)cc1)NC(=O)CCCCCCc1ccccc1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](CC(=O)OC)C2)[nH]1,0.0
CCc1c(CC(N)=O)c2cc(OCc3ccccc3C(=O)[O-])ccc2n1Cc1ccccc1,0.0
Cc1c(CC(N)=O)c2cc(OCc3ccccc3C(=O)[O-])ccc2n1Cc1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1cccc(-c2ccccc2)c1,0.0
CCCCCCCCCCn1c(C)c(CC(N)=O)c2cc(OCCCC(=O)[O-])ccc21,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C(=O)OC)C2)[nH]1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](CO)C2)[nH]1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C#N)C2)[nH]1,0.0
Cc1c(CC(=O)NN)c2cc(-c3ccccc3)ccc2n1Cc1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1cccc2ccccc12,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccc(-c2ccccc2)cc1,0.0
CCCCCCCCn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc21,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(-c2ccccc2)c1,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(O)cc12,0.0
Cc1c(CC(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1-c1ccccc1,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1cccc(OCc2ccccc2)c1,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1cccc(Cl)c1,0.0
CCc1c(CC(N)=O)c2cc(OCCC[P@@](=O)([O-])O)c(C)cc2n1Cc1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1,0.0
Cc1c(CC(N)=O)c2cc(OCCC[P@@](=O)([O-])O)ccc2n1Cc1ccccc1-c1ccccc1,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCCC(=O)[O-])cc12,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1,0.0
CCCCCCCCCCCC(=O)c1c(C(=O)[O-])n(CCOc2ccc(C(=O)[O-])cc2C)c2ccccc12,0.0
Cc1c(CC(N)=O)c2cc(OCCCC(=O)[O-])ccc2n1CC1CCCCC1,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1Cc1ccccc1,0.0
CCCCCCCCCCCC(=O)c1c(C(=O)[O-])n(CCOc2c(F)cc(C(=O)[O-])cc2F)c2ccccc12,0.0
CCc1c(CC(N)=O)c2cc(OCCC[P@@](=O)([O-])O)ccc2n1Cc1cccc(Cl)c1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc2n1Cc1ccccc1Cl,0.0
Cc1ccccc1Cn1c(C)c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccc21,0.0
Cc1c(C(=O)C(N)=O)c2c(O[C@H](C)C(=O)[O-])cccc2n1Cc1ccccc1,0.0
NC(=O)C(=O)c1c(C2CC2)n(Cc2ccccc2)c2cccc(OCC(=O)[O-])c12,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C1CC1)n2Cc1ccccc1,0.0
NC(=O)Cc1c(Br)n(Cc2ccccc2)c2cc(Cl)c(OCCCC(=O)[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-])cccc2n1Cc1ccccc1-c1ccccc1,0.0
CCCCCCCCCCCC(=O)c1c(C(=O)[O-])n(CCOc2ccc(C(=O)[O-])cc2Cl)c2ccccc12,0.0
CCc1c(C(=O)C(N)=O)c2c(OCC(=O)[O-])cccn2c1Cc1ccccc1-c1ccccc1,0.0
Cc1c(C(=O)C(N)=O)c2c(OCCCC(=O)[O-])cccc2n1Cc1ccccc1-c1ccccc1,0.0
O=C(C[NH+]1CCCCC1)Nc1ccc2[nH]c(=O)c3ccccc3c2n1,0.0
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCc2ccccc2C1,0.0
Cc1nc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)co1,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccc4)cc3)nc12,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccccn4)cc3)nc12,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)NCc1ccccc1,0.0
Cc1noc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1,0.0
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CC[NH2+]CC1,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)CCc1ccccc1,0.0
O=C(c1cccc(Cc2n[nH]c(=O)c3ccccc23)c1)N1CCOCC1,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4noc([O-])n4)cc3)nc12,0.0
Cn1ccc(-c2ccc(-c3nc4c(C(N)=O)cccc4[nH]3)cc2)n1,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)OCc1ccccc1,0.0
O=C(NCCN1CCOCC1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12,0.0
O=C1NCCn2c(CCc3ccccc3)cc3cccc1c32,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4noc([S-])n4)cc3)nc12,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccncc4)cc3)nc12,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nnco4)cc3)nc12,0.0
C[NH+](C)CC(=O)Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2ccccc12,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ccno4)cc3)nc12,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nnn[n-]4)cc3)nc12,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cnc[nH]4)cc3)nc12,0.0
C[N@@H+]1CC[C@@H](CNC(=O)c2cc3nc([O-])c4ccccc4n3n2)C1,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4nsc([O-])n4)cc3)nc12,0.0
NC(=O)c1cccc2cn(-c3ccc(C(=O)N4CCC[NH2+]CC4)cc3)nc12,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4ncc[nH]4)cc3)nc12,0.0
NC(=O)c1cccc2cn(-c3ccc(C4CC[NH2+]CC4)cc3)nc12,0.0
NC(=O)c1cccc2[nH]c(-c3ccc([C@@H]4CCC[NH2+]C4)cc3)nc12,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)c1ccccc1,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cnco4)cc3)nc12,0.0
NC(=O)c1cccc2cn(-c3cccc(C(=O)N4CCC[NH2+]CC4)c3)nc12,0.0
NC(=O)c1cccc2[nH]c(-c3ccc(-c4cn5ccccc5n4)cc3)nc12,0.0
O=C1CCCC(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F,0.0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)N[C@H](C)C(=O)[O-])c1,0.0
O=C(Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)c1)NO,0.0
O=C(Cc1csc(NC(=O)c2cccc(SC(F)(F)F)c2)n1)NO,0.0
O=C(Cc1cccc(NC(=O)c2cccc(COc3ccccc3)n2)n1)NO,0.0
c1ccc(CCNc2nc(-n3ccnc3)nc3ccccc23)cc1,0.0
CN1C(=O)c2nc(Cc3ccccc3)[nH]c2N2CC3(CCCC3)[NH+]=C12,0.0
c1ccc(CCNc2nc(-c3cccnc3)nc3ccccc23)cc1,0.0
CN1C(=O)c2nc(CC3CCCCC3)[nH]c2N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
O=C(Nc1nc(C2(C(=O)NO)CC2)cs1)c1cccc(COc2ccccc2)n1,0.0
CCCOc1ccccc1-c1nc2cc3nc[nH]c3cc2c(=O)[nH]1,0.0
COc1cc2cncc(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC3CC3)c2cc1OC,0.0
CCCOc1ccccc1-c1nc2[nH]cnc2c(=O)[nH]1,0.0
CN1C(=O)c2nc(CC3CCCC3)[nH]c2N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
CCOC(=O)c1cc2c(cn1)[nH]c1ccccc12,0.0
CCCOc1ccccc1-c1nc2[nH]ncc2c(=O)[nH]1,0.0
CCCOc1ccccc1-c1nc([O-])c2n[nH]nc2n1,0.0
c1ccc(CNc2nc(-c3ccccc3)nc3ccccc23)cc1,0.0
CN1C(=O)c2c(n[nH]c2Cc2ccccc2)N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
COc1ccc2cncc(Cc3nc4c([nH]3)c(=O)n(C)c(=O)n4CC(C)C)c2c1,0.0
c1ccc(CNc2nc(-c3ccncc3)nc3ccccc23)cc1,0.0
CCCOc1ccccc1-c1nc2ccncc2c(=O)[nH]1,0.0
CCCOc1ccccc1-c1nc2ccsc2c(=O)[nH]1,0.0
c1csc(CNc2nc(-n3ccnc3)nc3ccccc23)c1,0.0
CCCOc1ccccc1-c1nc2cnccc2c(=O)[nH]1,0.0
CCN1C(=O)c2nc(Cc3ccccc3)[nH]c2N2C[C@@H](C(C)C)[NH+]=C12,0.0
c1ccc(CNc2nc(-c3cccs3)nc3ccccc23)cc1,0.0
CCCOc1ccccc1-c1nc([O-])c2cncnc2n1,0.0
O=C(Nc1nc([C@@H](Cc2ccccc2)C(=O)NO)cs1)c1cccc(COc2ccccc2)n1,0.0
CN1C(=O)c2nc(CC3CC3)[nH]c2N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
CCCOc1ccccc1-c1nc2nsc(C)c2c(=O)[nH]1,0.0
O=[N+]([O-])c1ccc2nc(-c3cccnc3)nc(NCc3ccccc3)c2c1,0.0
CCCCCCc1nc2c([nH]1)C(=O)N(C)C1=[NH+][C@@H]3CCC[C@@H]3N12,0.0
CCOc1ccccc1-c1nc([O-])c2onc(C3CCCC3)c2n1,0.0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(C(C)=O)ccc3OCC)nc12,0.0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)Nc2nc(CC(=O)NO)cs2)n1,0.0
COC(=O)c1cccc(Nc2nc(-c3ccccc3)nc3ccccc23)c1,0.0
Cc1cc(/C=C/c2cccc3ccccc23)cc(C)c1O,0.0
Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(-c2ccccc2)cc1,0.0
CC/C(=C\c1cc(O)cc(O)c1)c1ccc2ccccc2c1,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])o2)c1,0.0
CN(O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2,0.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccc3[nH]ccc3c2)cc1,0.0
CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)C23CCCC3)cc1,0.0
FC(F)(F)c1cccc(Nc2ncccc2-c2nnc([S-])o2)c1,0.0
C[C@@H](C(=O)[O-])c1ccc2c(c1)Oc1ccccc1CO2,0.0
COc1cc(/C=C/c2cc(C)sn2)cc(C(C)(C)C)c1O,0.0
Oc1cc(O)cc(-c2cc3ccc(O)cc3o2)c1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCC3)cc1,0.0
CSc1ccc(/C=C2/C(C)=C(CC(=O)[O-])c3cc(F)ccc32)cc1,0.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)cc1,0.0
O=C(Nc1nccs1)c1c([O-])n2c3c(cccc13)CCc1ccccc1-2,0.0
O=C(Nc1nccs1)c1c([O-])n2c3c(cccc13)Oc1ccccc1-2,0.0
CC(C)(C)c1cc(/C=C2\CCN(c3ccncc3)S2(=O)=O)cc(C(C)(C)C)c1O,0.0
O=C(CCCCCCCCc1ccccc1)NO,0.0
Cc1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)[nH]n1,0.0
CC(C)(C)c1cc(/C=C/c2cccnc2)cc(C(C)(C)C)c1O,0.0
Fc1ccc(-c2[nH]c(-c3ccc(F)cc3)c3c2CCCC3)cc1,0.0
Cc1cc(CCc2cccs2)cc(C)c1O,0.0
Cc1cc(/C=C/c2cccc3ccccc23)cc(C)c1O,0.0
Nc1c(CC(=O)[O-])cccc1C(=O)c1ccc(-c2ccccc2)cc1,0.0
Cc1cc(/C=C/c2csc3ccccc23)cc(C)c1O,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])[nH]2)c1,0.0
CS(=O)(=O)c1ccc(C#CC(=O)c2ccc(F)cc2)cc1,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])o2)c1,0.0
CN(O)CCc1ccc2c(c1)C(=O)c1ccccc1CO2,0.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccc3[nH]ccc3c2)cc1,0.0
Cn1c([O-])c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O,0.0
Cc1cc(CCc2ccc(F)cc2)cc(C)c1O,0.0
CS(=O)(=O)c1ccc(-c2nc(NC3CCCC3)cc(C(F)(F)F)n2)cc1,0.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCC3CCCCC3)n2)cc1,0.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCCC3)n2)cc1,0.0
Cc1cnc(NC(=O)c2c([O-])n3c4c(cc(F)cc24)Cc2cc(F)ccc2-3)s1,0.0
CS(=O)(=O)c1ccc(C2=C(c3ccccc3)C(=O)C23CCCC3)cc1,0.0
FC(F)(F)c1cccc(Nc2ncccc2-c2nnc([S-])o2)c1,0.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCC3CCCCC3)n2)cc1,0.0
C[C@@H](C(=O)[O-])c1ccc2c(c1)Oc1ccccc1CO2,0.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OC3CCC3)n2)cc1,0.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCc3ccccc3)n2)cc1,0.0
NS(=O)(=O)c1ccc(-c2nc(NCC3CCCCC3)cc(C(F)(F)F)n2)cc1,0.0
COc1cc(/C=C/c2cc(C)sn2)cc(C(C)(C)C)c1O,0.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(OCC3CCCC3)n2)cc1,0.0
CCCCNc1nc(-c2ccc(S(C)(=O)=O)cc2)cc(C(F)(F)F)n1,0.0
O=C1OCC(c2ccc(-c3nnn[n-]3)cc2)=C1c1ccccc1,0.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)nc(NCC3CCOCC3)n2)cc1,0.0
CSc1ccc(/C=C2/C(C)=C(CC(=O)[O-])c3cc(F)ccc32)cc1,0.0
CCN(O)CCc1ccc2c(c1)[C@@H](O)c1ccccc1CO2,0.0
O=C([O-])Cc1ccc(CCNS(=O)(=O)c2ccc(Cl)cc2)cc1,0.0
O=C(Nc1ccc(Cl)cc1)[C@H]1C(=O)N2c3ccccc3CCc3cccc1c32,0.0
COc1cc(NCc2ccccc2)nc(-c2ccc(S(C)(=O)=O)cc2)n1,0.0
CC1(C)C(c2ccc(S(C)(=O)=O)cc2)=C(c2ccccc2)[C@@H]1O,0.0
Fc1ccc(-c2[nH]c(-c3ccc(-n4ccnc4)cc3)c3c2CCCC3)cc1,0.0
C[C@@H](C(=O)[O-])c1ccc(-c2ccccc2)c(F)c1,0.0
COc1ccc(NC(=O)Nc2ccc(S(C)(=O)=O)cc2)cc1,0.0
NC(=O)c1ccccc1Nc1ccnc(Nc2cccc(O)c2)n1,0.0
Cc1ccccc1Nc1ncc2c(n1)-c1c(c(C(N)=O)nn1C)CC2,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(CO)cc1Cl,0.0
COc1cc2ncn(-c3cc(OCC4CCCC4)c(C(N)=O)s3)c2cc1OC,0.0
COc1cc2ncn(-c3cc(OCCc4ccccc4)c(C(N)=O)s3)c2cc1OC,0.0
C[C@@H](Nc1cc2c(-c3cc(Cl)cc(CCCO)c3)noc2cn1)c1ccccc1,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Nc3ccccc3)ncc1CC2,0.0
COc1cc2ncn(-c3cc(OCC4CCCCC4)c(C(N)=O)s3)c2cc1OC,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Oc3ccccc3)ncc1CC2,0.0
Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,0.0
Cc1cscc1-c1noc2cnc(N[C@H](C)c3ccccc3)cc12,0.0
NC(=O)c1nn(CC(F)(F)F)c2c1CCc1cnc(Nc3ccccc3)nc1-2,0.0
COc1cc2ncn(-c3cc(OCc4ccncc4)c(C(N)=O)s3)c2cc1OC,0.0
Cn1nc(C(N)=O)c2c1-c1nc(Nc3ccccc3Cc3ccccc3)ncc1CC2,0.0
C[C@@H](Nc1cc2c(-c3ccc4c(c3)OCO4)noc2cn1)c1ccccc1,0.0
COc1ccc(Nc2ncc3c(n2)-c2ccc(OC)cc2NC(=O)C3)cc1,0.0
COc1cc2ncn(-c3cc(OCc4ccoc4)c(C(N)=O)s3)c2cc1OC,0.0
COc1cc2ncn(-c3cc(OCc4ccco4)c(C(N)=O)s3)c2cc1OC,0.0
COc1ccc2ncn(-c3cc(O[C@@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2c1,0.0
C[C@@H](Oc1cc(-n2cnc3cc(-c4ccncc4)ccc32)sc1C(N)=O)c1ccccc1Cl,0.0
CCCOC(=O)/C(C#N)=c1\s/c(=C/Nc2ccc(O)cc2)c(=O)n1CC,0.0
COc1cccc(Nc2nc(N[C@H](C)c3ccccc3)ncc2C#N)c1,0.0
COc1cc2ncn(-c3cc(OCc4ccsc4)c(C(N)=O)s3)c2cc1OC,0.0
CCn1c(=O)/c(=C\Nc2ccccc2)s/c1=C(/C#N)C(=O)N1CCCC1,0.0
COc1cc2ncn(-c3cc(OCCCc4ccccc4)c(C(N)=O)s3)c2cc1OC,0.0
FC(F)(F)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[n-]2)cc1,0.0
O=C1NCCc2[nH]c(-c3ccncc3)cc21,0.0
COc1cc(Nc2ncc3c(C)nc(-c4ccccc4)n3n2)cc(OC)c1OC,0.0
COc1cc2ncn(-c3cc(O[C@@H](C)c4ccccc4Cl)c(C(N)=O)s3)c2cc1OC,0.0
COc1cc2ncn(-c3cc(OCc4cccs4)c(C(N)=O)s3)c2cc1OC,0.0
Cn1cncc1-c1cc(OCc2ccccc2C(F)(F)F)c(C(N)=O)s1,0.0
NC(=O)c1sc2c([N+](=O)[O-])cc(C(F)(F)F)cc2[n+]1[O-],0.0
COc1cc2ncn(-c3cc(OCc4ccnc(Br)c4)c(C(N)=O)s3)c2cc1OC,0.0
CC(=O)N(C)c1cccc(Nc2nc(NCCc3cccs3)ncc2-c2nnn[n-]2)c1,0.0
C[C@@H](Nc1ncc(C#N)c(N2CCc3ccccc3C2)n1)c1ccccc1,0.0
COc1cc(Nc2ncc3c(C)nc(-c4cccc(C(F)(F)F)c4)n3n2)cc(OC)c1OC,0.0
COc1cc2ncn(-c3cc(OCc4sccc4Cl)c(C(N)=O)s3)c2cc1OC,0.0
C[C@@H](Oc1cc(-n2cnc3ccc(-c4cnn(C)c4)cc32)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccc(C[NH2+]C2CC2)cc1Cl,0.0
Nc1nc2c(Cc3cccc(Oc4ccccc4)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccc(-c4ccccc4)cc3)c[nH]c2c(=O)[nH]1,0.0
O=c1[nH]cnc2c(Cc3cccc(OCc4ccccc4)c3)c[nH]c12,0.0
Nc1nc2c(Cc3ccc(OCc4ccccc4)cc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)N/C(=[NH+]\Cc1ccccc1)C2,0.0
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
Nc1nc2nc(NCc3ccccc3)[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccc(Cl)cc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3cccc(O)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(cnn2CCCCCCC(F)(F)P(=O)([O-])[O-])c(=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(c(=O)[nH]1)N=C(Cc1ccccc1)C2,0.0
Nc1nc2c(Cc3cccc(Cl)c3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(Cc3ccccc3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(CC3CCCCCC3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2[nH]c(Cc3ccccc3)nc2c(=O)[nH]1,0.0
C[C@@H]1CCC[C@@H](Cc2c[nH]c3c(=O)[nH]c(N)nc23)C1,0.0
Nc1nc2c(c(=O)[nH]1)N/C(=[NH+]\Cc1ccco1)C2,0.0
O=c1[nH]cnc2c(Cc3ccccc3)c[nH]c12,0.0
Nc1nc2c(ncn2CCCCC(F)(F)P(=O)([O-])[O-])c(=O)[nH]1,0.0
Cc1ccsc1CNc1nc2nc(N)[nH]c(=O)c2[nH]1,0.0
Nc1nc2c(Cc3cnccc3Cl)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2nc(NCc3ccco3)[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)N/C(=[NH+]\Cc1cccs1)C2,0.0
Nc1nc2nc(Nc3cccnc3)[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(C[C@@H]3CCC[C@@H](C(F)(F)F)C3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(C3CCCCC3)c[nH]c2c(=O)[nH]1,0.0
Nc1nc2nc(NCc3cccs3)[nH]c2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)N/C(=[NH+]\Cc1ccsc1)C2,0.0
Cc1ccsc1CC1=Nc2c(nc(N)[nH]c2=O)C1,0.0
Nc1nc([O-])c2[nH]cc(Cc3cccnc3)c2n1,0.0
Nc1nc2c(ncn2CCCCC[P@](=O)([O-])C[P@@](=O)([O-])O)c(=O)[nH]1,0.0
Nc1nc2nn(COCCCCC[P@@](=O)([O-])O)nc2c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)N=C(Cc1ccco1)C2,0.0
Nc1nc2c(ncn2CCCCCC[P@](=O)([O-])C[P@@](=O)([O-])O)c(=O)[nH]1,0.0
Nc1nc2c(c(=O)[nH]1)N=C(Cc1cccs1)C2,0.0
Nc1nc(=O)c2nnn(CCCCC[P@@](=O)([O-])O)c2[nH]1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1,0.0
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(COc2ccccc2)cc1,0.0
Cc1nc(C(F)(F)F)sc1COc1ccc2c(ccn2CC(=O)[O-])c1,0.0
Cc1nc(-c2ccc(C(F)(F)F)cc2)oc1COc1ccc(CCC(=O)[O-])cc1,0.0
Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)[O-])OC3)c(C)o2)cc1C,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(SCc2ccccc2)cc1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(/C=C\c2ccccc2)cc1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(OCc2ccccc2)cc1,0.0
CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)[O-],0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1,0.0
O=C([O-])[C@H](Cc1ccc(-c2ccccc2)cc1)Oc1ccc(Cl)cc1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccco4)oc3C)ccc21,0.0
COc1ccc(C[C@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCCCC[C@H]1CO[C@@](C)(C(=O)[O-])OC1,0.0
O=C([O-])Cn1ccc2cc(OCc3cccc(COc4ccc(C(F)(F)F)cc4)c3)ccc21,0.0
CCc1ccc(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)[O-])c(OC)c1,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(Oc2ccccc2)cc1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCc3cc(-c4ccccc4)on3)ccc21,0.0
CCCc1ccccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCCc3nc(-c4ccccc4)oc3C(F)(F)F)ccc21,0.0
CC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-],0.0
CCCc1c(OCCCn2ccc3cc(CC(=O)[O-])ccc32)ccc2c(C(F)(F)F)noc12,0.0
Cc1cccc(Nc2cc(Cl)nc(SCC(=O)[O-])n2)c1C,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)[O-])CCC2)cn1,0.0
C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCCC4)cc3Cl)cc2O1,0.0
CCCc1c(OCCCn2ncc3cc(CC(=O)[O-])ccc32)ccc2c(C(F)(F)F)noc12,0.0
COC(=O)[C@H](Cc1ccc(OCCOc2ccc3ccccc3c2)cc1)C(=O)[O-],0.0
CC[C@H](Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
CCCc1c(OCCCNc2ccc(CC(=O)[O-])cc2)ccc2c(C(F)(F)F)noc12,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)[O-])n2cccc2)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCCc1ccc(C[C@@H](C(=O)[O-])c2ccsc2)cc1,0.0
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(C(F)(F)F)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCCCCCOC(C)(C)C(=O)[O-],0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(C4CCCC4)oc3C)ccc21,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCn3nc(-c4ccccc4)cc3C)ccc21,0.0
CCCc1c(OCCOc2ccc3c(ccn3CC(=O)[O-])c2)ccc2c(C(F)(F)F)noc12,0.0
CCCc1c(OCCCOc2ccc(CC(=O)[O-])cc2)ccc2c(C(F)(F)F)noc12,0.0
O=C([O-])Cc1csc2cc(OCc3ccc(COc4ccc(C(F)(F)F)cc4)cc3)ccc12,0.0
Cc1nc(C(F)(F)F)sc1COc1ccc2c(ccn2CC(=O)[O-])c1,0.0
O=C([O-])COc1ccc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c1CCC2,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc4c(c3)ON[C@]4(O)C(F)(F)F)ccc21,0.0
Cc1nc(C(F)(F)F)sc1CSc1ccc2c(ccn2CC(=O)[O-])c1,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc4ncoc4c3)ccc21,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc4cc[nH]c4c3)ccc21,0.0
O=C([O-])Cc1coc2cc(OCc3cccc(COc4ccc(C(F)(F)F)cc4)c3)ccc12,0.0
CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)[O-])ccc2[nH]ccc12,0.0
O=C([O-])Cn1ccc2cc(OCc3cccc(COc4ccc(C(F)(F)F)cc4)c3)ccc21,0.0
CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)[O-])ccc2c(C)noc12,0.0
CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4ccoc4)cc3)ccc21,0.0
C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(OC(F)(F)F)cc3Cl)cc2O1,0.0
Cc1coc2cc(OCCCOc3ccc4c(c3)CC[C@H]4CC(=O)[O-])ccc12,0.0
CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)[O-])c(C)c1,0.0
CCCc1c(OCCCn2ccc3cc(CC(=O)[O-])ccc32)ccc2c(C(F)(F)F)noc12,0.0
CCCc1c(OCCCn2ncc3cc(CC(=O)[O-])ccc32)ccc2c(C(F)(F)F)noc12,0.0
O=C([O-])Cn1ccc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc21,0.0
CC[C@H](Cc1ccc(OC)c(CCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
O=C([O-])Cc1coc2cc(OCc3ccc(COc4ccc(C(F)(F)F)cc4)cc3)ccc12,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-n4cncn4)cc3)ccc21,0.0
Cc1cc(OCc2nc(C)c(-c3ccc(Cl)cc3)s2)ccc1OCC(=O)[O-],0.0
CCCc1cc(C2CCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(-c2ccco2)c1,0.0
C=C(COc1ccc(C(F)(F)F)cc1)COc1ccc(OCC(=O)[O-])c(C)c1,0.0
CC[C@H](Cc1ccc(OC)c(OCCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
Cc1cc(OCC[C@@H](C)Oc2ccc(Cl)cc2-c2ccccn2)ccc1CCC(=O)[O-],0.0
CCCc1c(OCCCOc2ccc3ccn(CC(=O)[O-])c3c2)ccc2c(C(F)(F)F)noc12,0.0
CCCc1c(OCCOc2ccc3c(ccn3CC(=O)[O-])c2)ccc2c(C(F)(F)F)noc12,0.0
O=C([O-])Cc1csc2cc(OCc3ccc(COc4ccc(C(F)(F)F)cc4)cc3)ccc12,0.0
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(-c2ccccc2)c1,0.0
Cc1cc(OCc2oc(-c3ccc(C(F)(F)F)cc3)nc2C)ccc1OCC(=O)[O-],0.0
O=C([O-])C[C@@H]1CCc2cc(OCCCOc3ccc(-c4cccnc4)cc3)ccc21,0.0
CCCc1c(OCCCSc2ccc(CC(=O)[O-])cc2Cl)ccc2c(CC)coc12,0.0
O=C([O-])[C@]1(C(F)(F)F)Cc2cc(OCCCOc3ccc(CC(F)(F)F)cc3Cl)ccc2O1,0.0
CCCc1c(OCCCOc2ccc(CC(=O)[O-])cc2Cl)ccc2c(C(F)(F)F)noc12,0.0
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(-c2cocn2)c1,0.0
Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)sn2)ccc1OCC(=O)[O-],0.0
Cc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2Oc2ccccc2)ccc1CCC(=O)[O-],0.0
O=C([O-])Cc1csc2cc(OCc3cccc(COc4ccc(C(F)(F)F)cc4)c3)ccc12,0.0
Cc1cc(SCc2cc(-c3ccc(C(F)(F)F)cc3)on2)ccc1OCC(=O)[O-],0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(CCCc2ccccc2)cc1,0.0
CCOC(=O)C1=C(c2ccccc2)c2ccc(OCc3ccccc3)cc2C1=O,0.0
O=C1N=C([O-])/C(=C\c2ccc(Oc3ccccc3)cc2)C(=O)N1,0.0
CCO[C@H](Cc1ccc(OCCC2c3ccccc3-c3ccccc32)cc1)C(=O)[O-],0.0
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCOc3cc(C)[nH+]c4ccccc34)cc2)NC(=O)N1,0.0
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2ccccc2)cc1,0.0
O=C([O-])CC1=C/C(=C\c2ccc(F)c3ccccc23)c2ccc(F)cc21,0.0
c1ccc(C[NH2+]CCOc2ccc3ccccc3c2)cc1,0.0
CCO[C@@H](Cc1ccc(OCCN2c3ccccc3Oc3ccccc32)cc1)C(=O)[O-],0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(CSc2ccccc2)cc1,0.0
O=C([O-])CC1=C/C(=C\c2ccc(SC(F)(F)F)cc2)c2ccc(F)cc21,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cc(C)on4)oc3C)ccc21,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4ccco4)oc3C)ccc21,0.0
COc1ccc(C[C@H]2SC(=O)NC2=O)cc1C(=O)NCc1ccc(C(F)(F)F)cc1,0.0
Cc1oc(-c2ccccc2)nc1CCCCC[C@H]1CO[C@@](C)(C(=O)[O-])OC1,0.0
CCCc1c(OCCCOc2ccc3c(c2)CC[C@H]3CC(=O)[O-])ccc2[nH]ccc12,0.0
CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCCc3ccccc3)cc2C1=O,0.0
CC[C@H](Cc1ccc(OC)c(C(=O)NCc2ccc(C(F)(F)F)cc2)c1)C(=O)[O-],0.0
CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)cc1,0.0
CCCc1ccccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCc3nc(-c4ccccc4)oc3C)ccc21,0.0
CCO[C@@H](Cc1cccc(/C(C)=N/OCc2cccc(Cl)c2)c1)C(=O)[O-],0.0
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCCOc3cccc4[nH]c5ccccc5c34)cc2)NC(=O)N1,0.0
CCO[C@@H](Cc1ccc(CC[C@@H](O)c2ccccc2)cc1)C(=O)[O-],0.0
CCCc1cc(C(F)(F)F)ccc1OCCCOc1ccc(OCC(=O)[O-])c(C)c1,0.0
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCCn3ccc4cccnc43)cc2)NC(=O)N1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1ccc(CC2(C(=O)[O-])CCC2)cn1,0.0
Cc1oc(-c2ccccc2)nc1CCOc1cccc(C[C@H]2C(=O)N(c3ccc(F)cc3)[C@@H]2C(=O)[O-])c1,0.0
O=C([O-])C[C@@H]1CCc2cc(OCCc3nc(-c4ccccc4)oc3CCc3ccccc3)ccc21,0.0
O=C(Nc1ccc(Oc2ncccc2[N+](=O)[O-])cc1C(=O)[O-])c1ccc(Cl)cc1Cl,0.0
C[C@]1(C(=O)[O-])CCc2ccc(OCCCOc3ccc(C4CCCC4)cc3Cl)cc2O1,0.0
CCc1cc(OCC[C@@H](C)Oc2ccc(C(F)(F)F)cc2-c2ccccn2)ccc1CCC(=O)[O-],0.0
COC(=O)c1ccccc1N[C@@H](Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)cc1)C(=O)[O-],0.0
CCCc1c(OCCCSc2ccc(CC(=O)[O-])cc2Cl)ccc(/C(CC)=N/O)c1O,0.0
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCCOc3cc(C)[nH+]c4ccccc34)cc2)NC(=O)N1,0.0
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
O=C(Nc1ccc(-c2cccc3cccnc23)cc1C(=O)[O-])c1ccc(Cl)cc1Cl,0.0
CCCc1c(OCCCNc2ccc(CC(=O)[O-])cc2)ccc2c(C(F)(F)F)noc12,0.0
O=C([O-])[C@@H](Cc1ccccc1)Oc1ccc(C#Cc2ccccc2)cc1,0.0
CC1(C)OC(=O)Nc2ccc(-c3cc(F)cc(Cl)c3)cc21,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=S)n(C4CCC4)c3c2)c1,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(C4CCC4)c3c2)c1,0.0
Cn1c(C#N)ccc1-c1ccc(C(=O)c2ccccc2)cc1,0.0
Cc1cc(-c2cc3ccccc3[nH]2)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
CC1(C)OCC(=O)Nc2ccc(-c3cccc(F)c3)cc21,0.0
CC1=CC(C)(C)Nc2ccc(-c3cc(F)cc([N+](=O)[O-])c3)cc21,0.0
O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CC2,0.0
O=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCC2,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)CCC/C2=N/O,0.0
CC1(C)C(=O)Nc2ccc(-c3cc(F)cc(C#N)c3)cc21,0.0
Cn1c(C#N)ccc1-c1ccc([C@@H](O)c2ccccc2)cc1,0.0
S=C1Nc2ccc(-c3cccc(Cl)c3)cc2C12CCC2,0.0
Fc1ccc(-c2ccc3[nH]c(=S)n(C4CCCC4)c3c2)cc1Cl,0.0
Cn1cc(-c2ccc3c(c2)C(C)(C)OC(=O)N3)cc1C#N,0.0
CC1(C)OCC(=S)Nc2ccc(-c3cc(F)cc(F)c3)cc21,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(C4CCCC4)c3c2)c1,0.0
CC1=[NH+]CC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc21,0.0
CC(C)(C[C@](O)(C(=O)Nc1ccc2c(c1)COC2=O)C(F)(F)F)c1cc(F)ccc1O,0.0
CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)o3)cc21,0.0
CC1(C)OCC(=O)Nc2ccc(-c3ccc(C#N)[nH]3)cc21,0.0
N#Cc1cc(F)cc(-c2ccc3c(c2)C2(CCCC2)C(=O)N3)c1,0.0
CC1(C)C(=S)Nc2ccc(-c3cccc(Cl)c3)cc21,0.0
N#Cc1cccc(-c2ccc3c(c2)C2(CCCCC2)C(=O)N3)c1,0.0
CC1(C)OC(=O)Nc2ccc(-c3csc(C#N)c3)cc21,0.0
CC1(C)OC(=O)Nc2ccc(-c3coc(C#N)c3)cc21,0.0
Cn1c(C#N)ccc1-c1ccc(C(=O)C(C)(C)C)cc1,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)CCCC2=O,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)CCC[C@]2(C)O,0.0
CCC(CC)n1c(=S)[nH]c2ccc(-c3cc(F)cc(C#N)c3)cc21,0.0
CC1(C)CC(=O)c2ccc(-c3cccc(Cl)c3)cc21,0.0
C[C@@H]1Cc2cc3c(C(F)(F)F)cc(=O)[nH]c3cc2N1,0.0
CC1(C)OC(=O)Nc2ccc(-c3ccc(C#N)s3)cc21,0.0
CC1(C)OC(=S)Nc2ccc(-c3csc(C#N)c3)cc21,0.0
CCCCc1oc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,0.0
O=C(CCCc1cccs1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O)cc2)cc1,0.0
CC1(C)SC[C@@H](CCC(=O)Nc2ccc3c(c2)C[C@H](C(=O)[O-])OC3)S1,0.0
O=C(CCCc1cccs1)Nc1ccc2c(c1)CO[C@@H](C(=O)[O-])C2,0.0
O=C(CCCCc1cccs1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
O=C(c1ccccc1)[C@@H](Cc1ccc(C(F)(F)P(=O)([O-])[O-])c(Br)c1)c1ccccc1,0.0
O=C([O-])c1cccc(/C=C/c2ccc3cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc3n2)c1,0.0
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[N@@H+](CCc1ccccc1)C2,0.0
O=C(NCc1ccccc1)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
O=C(Nc1cccc(F)c1)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
O=C(CCCC[C@@H]1CCSS1)Nc1ccc2c(c1)C(=O)O[C@@H](C(=O)[O-])C2,0.0
CC1(C)SC[C@@H](CCC(=O)Nc2ccc3c(c2)CO[C@@H](C(=O)[O-])C3)S1,0.0
O=C(CCCCc1cccs1)Nc1ccc2c(c1)CO[C@@H](C(=O)[O-])C2,0.0
CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O[C@H](Cc3ccccc3)C(=O)[O-])cc2)cc1,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(NC3CCCCCC3)c2)c1Br,0.0
O=C(CCCC[C@@H]1CCSCS1)Nc1ccc2c(c1)C[C@H](C(=O)[O-])OC2,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(OCc3ccccc3)c2)c1Br,0.0
NC(=O)c1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2n1,0.0
O=C1CN(c2cc(-c3ccc[nH]3)ccc2O)S(=O)(=O)N1,0.0
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(NCc3ccccc3)c2)c1Br,0.0
O=C(CCCC[C@@H]1CCSCS1)Nc1ccc2c(c1)CO[C@@H](C(=O)[O-])C2,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(NCC3CCCCC3)c2)c1Br,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2ccc(NC(=O)CC(=O)[O-])cc2)c1Br,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(NC3CCCC3)c2)c1Br,0.0
CCO[C@H](Cc1ccc(NC(=O)CCCC[C@@H]2CCSS2)cc1)C(=O)[O-],0.0
COc1cccc(C[N@@H+]2CCc3c(sc(NC(=O)C(=O)[O-])c3C(=O)[O-])C2)c1,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2ccc3cc[nH]c3c2)c1Br,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(NC3CCOCC3)c2)c1Br,0.0
O=C([O-])COc1c(C(=O)[O-])sc(-c2cccc(NS(=O)(=O)c3ccc(F)cc3)c2)c1Br,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)C[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)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
Nc1nc2c(c(=O)[nH]1)C[C@@H](Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
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](CCc1cccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])c1)CN2,0.0
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
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](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
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
Nc1nc2[nH]c(CCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=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(CCCCc3ccc(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-])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(CCCc3ccc(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(=O)c2c([nH]1)NC[C@H](CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2,0.0
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(CCCNc2cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)c(=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(CCCc3ccc(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
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2,0.0
Nc1nc2sc(CCc3ccc(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](CC[P@@](=O)([O-])O)C(=O)[O-])cc1)CN2,0.0
Nc1nc(N)c(SCCCc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s2)c(=O)[nH]1,0.0
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
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-])sc1CCCSc1c(N)nc(N)[nH]c1=O,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
Nc1nc2sc(CCCCCCc3ccc(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](CCS(=O)(=O)[O-])C(=O)[O-])cc1)CN2,0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1)CN2,0.0
Nc1nc2sc(CCCCCc3ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
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
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
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
Cc1cc(CCCSc2c(N)nc(N)[nH]c2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],0.0
CCc1cc(CCCSc2c(N)nc(N)[nH]c2=O)sc1C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-],0.0
Nc1nc2ncc(CCc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)cc2c(=O)[nH]1,0.0
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
Cc1cc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2S1,0.0
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(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])sc1CC[C@@H]1CNc2nc(N)[nH]c(=O)c2S1,0.0
Nc1nc2c(c(=O)[nH]1)S[C@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1)CN2,0.0
O=C(N[C@@H]1CCc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1,0.0
OC[C@H]1O[C@@]2(CC(c3ccc4ccccc4c3)=NO2)[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(C(=O)Nc3ccon3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(NC(=O)c3ccon3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3cc[nH]n3)cc2)nc2ccccc21,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3[nH]c2=O)cc1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)CCc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)Nc3nccs3)cc2)nc2ccccc21,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cc(F)ccc21,0.0
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
O=C(NC(=O)c1ccc2ccccc2c1)N[C@H]1O[C@H](CO)[C@@H](O)[C@@H](O)[C@@H]1O,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2cccnc21,0.0
O=C(N[C@@H](Cc1ccc(F)cc1)C(=O)N1CCC(O)CC1)c1cc2cc(Cl)ccc2[nH]1,0.0
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(Cl)ccn1,0.0
COc1ccnc(C(=O)Nc2ccccc2Oc2ccc(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(Cl)ccn1,0.0
Cc1ccc2nc(Nc3ccc(C(=O)NCc4cccs4)cc3)c(=O)n(C)c2c1,0.0
N#Cc1ccnc(C(=O)Nc2ccccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
COc1ccnc(C(=O)Nc2c(F)cccc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
O=C(N[C@@H]1Cc2ccccc2NC1=O)c1cc2cc(Cl)ccc2[nH]1,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1,0.0
OC[C@H]1C[NH2+]C[C@@H](O)[C@@H]1O,0.0
OC[C@H]1[NH2+]C[C@@H](O)[C@@H]1O,0.0
O=C(Nc1cc(F)ccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
C[NH+](C)CCn1c(=O)c(Nc2ccc(C(=O)NCc3cccs3)cc2)nc2ccccc21,0.0
O=C(Nc1ccccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(I)ccn1,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCc3ccccn3)c2=O)cc1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3ccccc3[nH]2)Cc2ccccc21,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1ccccn1,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(C(F)(F)F)ccn1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cccc([N+](=O)[O-])c3[nH]2)Cc2ccccc21,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cccc(Cl)c3[nH]2)Cc2ccccc21,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cccc([N+](=O)[O-])c1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3ccc(Cl)cc3[nH]2)Cc2ccccc21,0.0
Cc1ccc2[nH]c(C(=O)N[C@@H]3Cc4ccccc4N(C)C3=O)cc2c1,0.0
O=C(NCc1cccs1)c1ccc(Nc2nc3ccccc3n(CCN3CCOCC3)c2=O)cc1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)ccc3[nH]2)Cc2ccccc21,0.0
O=C(Nc1cc2ccccc2cc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc(Cl)ccn1,0.0
Cc1ccnc(C(=O)Nc2cc3ccccc3cc2Oc2ccc(C(=O)[O-])c(C(=O)[O-])c2)c1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(Cl)cc(F)c3[nH]2)Cc2ccccc21,0.0
O=C([O-])c1c(O)c(-c2ccc(-c3ccccc3)cc2)nc2ccc(F)cc12,0.0
O=C([O-])c1c(O)c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc12,0.0
Cc1c(OCc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(Oc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-c2ccc3ccccc3c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(Nc2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])C1=C(C(=O)Nc2ccc(-c3cccc4ccccc34)cc2C(F)(F)F)CCC1,0.0
O=C([O-])C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)COC1,0.0
Cc1c(N(C)c2cccc(-c3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(-c2ccccc2)cc1,0.0
O=C([O-])c1cc(-c2ccc(-c3ccccc3)cc2)nc2sccc12,0.0
Cc1c(-c2ccc(-c3ccccc3)s2)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])c1c(O)c(-c2ccc(Sc3ccccc3)cc2)nc2ccc(F)cc12,0.0
O=C(Nc1c(F)cc(-c2cccc(OC(F)(F)F)c2)cc1F)c1ccsc1C(=O)[O-],0.0
COc1cccc(-c2ccc(NC(=O)c3cocc3C(=O)[O-])c(F)c2)c1,0.0
O=C([O-])C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)CCC1,0.0
Cc1c(-c2ccc(C3CCCCC3)cc2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-c2ccc(C(C)(C)C)cc2)nc2ccc(F)cc2c1C(=O)[O-],0.0
CCOc1cccc(-c2cc(F)c(NC(=O)c3cocc3C(=O)[O-])c(F)c2)c1,0.0
Cc1c(-c2ccc(Oc3ccccc3)cc2)nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(-c2cccc(Oc3ccccc3)c2)nc2ccc(F)cc2c1C(=O)[O-],0.0
CC(=O)/C(C#N)=C(\[O-])Nc1ccc(-c2ccccc2)cc1,0.0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cnccc2c1C(=O)[O-],0.0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ccncc2c1C(=O)[O-],0.0
COc1cccc(-c2cc(F)c(NC(=O)C3=C(C(=O)[O-])CCC3)c(F)c2)c1,0.0
Cc1c(-c2ccc(-c3ccccc3)cc2)nc2ccccc2c1C(=O)[O-],0.0
O=C([O-])C1=C(C(=O)Nc2c(F)c(F)c(-c3cccc(OC(F)(F)F)c3)c(F)c2F)COC1,0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1CC2,0.0
COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)[O-])CSC3)c(F)c2)c1,0.0
O=C([O-])c1c2c(nc3ccc(F)cc13)-c1ccc(-c3ccccc3)cc1OC2,0.0
Cc1c(-c2ccc(-c3cccnc3)cc2)nc2ccc(F)cc2c1C(=O)[O-],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
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(CCc2ccccc2)cc1,0.0
Cc1ccccc1-c1ccc2c(c1)CCc1c-2nc2ccc(F)cc2c1C(=O)[O-],0.0
Cc1c(N2CCc3c(-c4ccccc4F)cccc32)nc2ccc(F)cc2c1C(=O)[O-],0.0
O=C([O-])C1=C(C(=O)Nc2c(F)cc(-c3cccc(OC(F)(F)F)c3)cc2F)CSC1,0.0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2cccnc2c1C(=O)[O-],0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(-c2cccs2)cc1,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(Oc2ccccc2)cc1,0.0
COc1cccc(-c2ccc3c(n2)CCc2c-3nc3ccc(F)cc3c2C(=O)[O-])c1,0.0
Cc1c(-n2ccc3c(-c4ccccc4)cccc32)nc2ccc(F)cc2c1C(=O)[O-],0.0
CCCCCCc1ccc(-c2nc3ccc(F)cc3c(C(=O)[O-])c2C)cc1,0.0
Cc1c(-c2cn(C)c3c(-c4cccc(C(F)(F)F)c4)cccc23)nc2ccc(F)cc2c1C(=O)[O-],0.0
C[C@H]([NH2+][C@H](CCc1ccccc1)C(=O)[O-])C(=O)N1CCC[C@H]1C(=O)[O-],0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)C1(CC1)O2,0.0
C[C@H](N[P@@](=O)([O-])Oc1ccccc1)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
c1ccc(OCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
O=C(CCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
c1ccc(OCCCOCc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
c1ccc(COCCOc2ccc([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
c1ccc(CCOCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2cccnc2)cc1,0.0
c1ccc(COCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)nc1,0.0
O=C(OCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1cccnc1,0.0
c1ccc(-c2noc(COc3ccc([C@H]4CC[NH2+]C[C@@H]4OCc4ccc5ccccc5c4)cc3)n2)cc1,0.0
O=C(OCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COc2ccc3ccccc3c2)cc1,0.0
CCCCNC(=O)[C@H](C)C[C@@H](O)[C@H]([NH3+])C[C@@H](Cc1ccc(OC)c(OCc2ccccc2)c1)C(C)C,0.0
Cc1ccc(NC(=O)Cc2ccccc2)cc1C(=O)N[C@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
O=C(OCc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3ccccc3c2)cc1)c1ccccc1,0.0
CCCCNC(=O)[C@@H](C)C[C@@H](O)[C@@H](CC1CCCCC1)NC(=O)[C@H](CCCC)O[P@](=O)([O-])CCc1ccccc1,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@H]2COc2ccc3c(c2)NCCC3)cc1,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2ccc3cccnc3c2)cc1,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCCCC(=O)OC)CCC2,0.0
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
c1ccc(COCCCCOc2ccc([C@H]3CC[NH2+]C[C@@H]3OCc3ccc4ccccc4c3)cc2)cc1,0.0
CCCc1nc(-c2cccnc2)cn2c(CC(=O)N[C@@H](CC3CCCCC3)[C@@H](O)C3CCCCC3)nnc12,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCc2ccccn2)C(C)C)ccc1OC,0.0
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)C(=O)NCCCc2nnn[n-]2)C(C)C)ccc1OC,0.0
CCC[C@@H](O[P@](=O)(CCCc1ccccc1)OCC)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)C1CC1,0.0
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
C[C@H](CS)C(=O)N1CCC[C@H]1C(=O)[O-],0.0
CCOC(=O)[C@H](CCc1ccccc1)N[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,0.0
CCNC(=O)[C@H](Cc1ccccc1)O[C@@H](C)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)[C@@H](O)CC(C)C,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(=O)NCCc2nnn[n-]2)C(C)C)C(C)C)ccc1OC,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(=O)NC[C@@H]2CCC(=O)N2)C(C)C)C(C)C)ccc1OC,0.0
Cc1c(-c2ccnc(N)n2)sc2ccc(Nc3cccc(O)c3)cc12,0.0
Cc1n[nH]c2ccc(-c3cncc(OC[C@@H]([NH3+])Cc4ccccc4)c3)cc12,0.0
O=C(CNCc1ccccc1)Nc1cc2cc[nH]c(=O)c2cc1Cl,0.0
c1ccc(C[N@H+]2CC[C@H](Nc3ccc4[nH]ncc4c3)CC2)cc1,0.0
c1ccc(C[N@H+]2CC[C@H](Oc3ccc4[nH]ncc4c3)CC2)cc1,0.0
Clc1cccc(C[N@@H+]2CC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2ccc(NC(=O)Nc3ccccc3)cc2)n1,0.0
[NH3+]CCNS(=O)(=O)c1ccc(-c2ccnc3[nH]ccc23)cc1,0.0
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
O=C(N[C@H]1CC[N@H+](Cc2ccccc2)CC1)c1ccc2[nH]ncc2c1,0.0
O=C(Nc1ccc2[nH]ncc2c1)[C@H]1CC[N@H+](Cc2ccccc2)CC1,0.0
c1ccc(C[N@H+]2CC[C@H](Nc3cccc4cnccc34)CC2)cc1,0.0
O=[N+]([O-])c1cccc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(C)=O)c3)cc21,0.0
O=C(NCc1c(Cl)cccc1Cl)Nc1ccc2[nH]ncc2c1,0.0
Cc1c(-c2ccnc(N)n2)sc2ccc([C@@H]([NH3+])c3cccc(O)c3)cc12,0.0
C[NH2+][C@@H](C(=O)Nc1cc2cc[nH]c(=O)c2cc1Cl)c1ccccc1,0.0
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
c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)ccn1,0.0
CCC[NH2+][C@H]1CC[C@H](Nc2cccc3cnccc23)CC1,0.0
Cc1c[nH]c2ncnc(N3CCN(/C(=N/c4cccc(Br)c4)NC#N)[C@@H](C)C3)c12,0.0
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
CC(C)CC[N@@H+]1CCC[C@@H](Nc2cccc3cnccc23)C1,0.0
c1csc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)c1,0.0
c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)cs1,0.0
[NH3+]C[C@H](Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,0.0
CC(C)CC[N@@H+]1CCC[C@@H](Nc2ccc3[nH]ncc3c2)C1,0.0
CCC[C@@H]([NH3+])c1ccc2sc(-c3ccnc(N)n3)c(C)c2c1,0.0
Nc1nonc1-c1nc2ccccc2n1C1CC1,0.0
C[C@@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1ccccc1,0.0
CCn1c(-c2nonc2N)nc2ccccc21,0.0
Nc1nonc1-c1nc2ccccc2n1CC1CC1,0.0
CC1=C(C(=O)Nc2ccc3[nH]ncc3c2)[C@@H](c2ccc(F)cc2)NC(=O)N1,0.0
Nc1ccc2c(c1)nc(-c1nonc1N)n2C1CCC1,0.0
Nc1nonc1-c1nc2ccccc2n1-c1ccccc1,0.0
c1ccc2c(c1)CC(Nc1nc(Nc3ccncc3)nc(N3CCC[NH2+]CC3)n1)C2,0.0
C/C(=C\c1ccc(C(=O)[O-])cc1)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C,0.0
CC(=C/C=C\C(C)=C\C(=O)[O-])/C=C1\CCCc2ccccc21,0.0
C/C(=C\c1ccc(C(=O)[O-])cn1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)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
CCOC(=O)c1ccc(OC(=O)c2ccc3c(c2)C(C)(C)CCN3C(C)C)cc1,0.0
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1,0.0
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
C/C(=C\c1ccc(C(=O)[O-])s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1Cc1ccc(C(=O)[O-])c([N+](=O)[O-])c1)C(C)(C)CCC2(C)C,0.0
Cc1sc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
Cc1cc2c(cc1Cc1ccc(C(=O)[O-])c(F)c1)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
CN(CCOc1ccc(C[C@H]2SC(=O)NC2=O)cc1)c1cccc[nH+]1,0.0
CCC1=C(C(C)C)/C(=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])CCC1,0.0
CC(/C=C/[C@@H]1C[C@@]1(C)c1ccc2c(c1)C(C)(C)CCC2(C)C)=C\C(=O)[O-],0.0
C/C(=C\c1csc(C(=O)[O-])c1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
COc1cc(CCC[C@H]2OC(=O)NC2=O)ccc1OCc1nc(-c2ccco2)oc1C,0.0
C/C(=C\c1ncc(C(=O)[O-])s1)c1ccc2c(c1)C(C)(C)CCC2(C)C,0.0
C/C(=C\c1ncc(C(=O)[O-])s1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1Oc1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C,0.0
CC(/C=C/CC1(c2cc(C(C)(C)C)cc3c2CCC3(C)C)CC1)=C\C(=O)[O-],0.0
CC1(C)CCC(C)(C)c2cc(Sc3ccc(C(=O)[O-])cc3)ccc21,0.0
CC1=C(/C=C/c2ccccc2/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1,0.0
CCC[N@H+](C/C=C/C(C)=C/C(=O)[O-])c1cc(C(C)(C)C)cc2c1CCC2(C)C,0.0
CCCC[N@H+](C/C=C/C(C)=C/C(=O)[O-])c1cc(C(C)(C)C)cc2c1CCC2(C)C,0.0
C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
Cc1cc(O)c([C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)cc1-c1ccc(/C=C/C(=O)[O-])cc1Cl,0.0
C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1Cl)C(C)(C)CCC2(C)C,0.0
Cc1cc2c(cc1Sc1ccc(C(=O)[O-])cc1)C(C)(C)CCC2(C)C,0.0
CC(/C=C/CC1(c2cc(C(C)(C)C)cc(C(C)(C)C)c2)CC1)=C\C(=O)[O-],0.0
Cc1cc2c(cc1Sc1ccc(C(=O)[O-])cn1)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
CC1(C)CCC(C)(C)c2cc(C3(c4ccc(C(=O)[O-])cc4)CC3)ccc21,0.0
COCCOCOc1cc(C)c(-c2ccc3cc(C(=O)[O-])ccc3c2Cl)cc1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
Cc1oc(/C=C/C(=O)[O-])cc1Cc1ccc2c(c1)C(C)(C)CCC2(C)C,0.0
CC1=C(/C=C/C(C)=C\C=C\C(C)=C\C(=O)[O-])C(C)(C)CCC1,0.0
Cc1oc(-c2ccc3ccccc3c2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cc1,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](C(=O)OCc2ccccc2)[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
CC[C@H]1C[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
C[C@@H](O)C1=C[C@@H](n2cnc3c(N)ncnc32)[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]1CC[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@@H](O)[C@H]1O,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
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=N/O)[C@@H](O)[C@H]1O,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C/F)[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
Nc1nccc2c1ncn2CC#CCO,0.0
Nc1ncnc2c1ncn2[C@@H]1C=C(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
CC(C)OC(=O)[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
CC(C)=CCn1cnc2c(N)ncnc21,0.0
Nc1ncnc2c1ncn2[C@@H]1O/C(=C\F)[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]1O[C@@H](C=O)[C@@H](O)[C@H]1O,0.0
Nc1nccc2c1ncn2C/C=C\CO,0.0
C/C(=C/Cn1cnc2c(N)ncnc21)CO,0.0
Nc1ncnc2c1ncn2C/C=C/[C@@H](O)CO,0.0
Nc1ncnc2c1ncn2[C@@H]1C=C(CO)C(=O)[C@@H]1O,0.0
C/C(=C\Cn1cnc2c(N)ncnc21)CO,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
Nc1ncnc2c1ncn2C[C@@H](O)[C@@H](O)C(=O)[O-],0.0
Nc1ncnc2c1ncn2[C@@H]1[C@@H](O)[C@H](O)[C@H](CO)[C@@H]1F,0.0
Nc1ncnc2c1ncn2C[C@H](O)CO,0.0
Nc1nccc2c1ncn2[C@@H]1C=C(CO)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2C/C=C\CO,0.0
Nc1nccc2c1ncn2[C@@H]1C[C@@H](CO)[C@@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2CC=C(CO)CO,0.0
Nc1nccc2c1ncn2C/C=C\[C@@H](O)CO,0.0
Nc1ncnc2c1ncn2[C@@H]1C[C@@H](C=O)[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
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)OCCCl)[C@@H](O)[C@H]1O,0.0
CC1=C[C@@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
Nc1ncnc2c1ncn2C/C=C/CO,0.0
C#C[C@H]1O[C@H](n2cnc3c(N)ncnc32)[C@H](O)[C@@H]1O,0.0
[NH3+]CCCn1ccc2c(-c3ccnc(Nc4cccc(OC(F)(F)C(F)F)c4)n3)cccc21,0.0
Cc1[nH]c(=O)c2c(ccc3[nH]c(Nc4c(Cl)cccc4Cl)nc32)c1C,0.0
Nc1cc2cc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)ccc2c[nH+]1,0.0
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3ccncc3)nnc2c1,0.0
O=C(Nc1cncnc1)c1c(Cl)ccc2c(Nc3cccc(C(F)(F)F)c3)noc12,0.0
O=c1oc2c(O)c(O)cc3c(=O)oc4c(O)c(O)cc1c4c23,0.0
O=c1[nH]c2cc(O)c(O)cc2c2ccc(O)c(O)c12,0.0
Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1,0.0
Cc1cc(Nc2nc(-c3ccncc3)nc3ccccc23)n[nH]1,0.0
Oc1ccc(C[C@@]2(O)COc3c(ccc(O)c3O)[C@H]2O)cc1O,0.0
Cc1ccc(C)c(Nc2nccc(-c3nccs3)n2)c1,0.0
Nc1ccc2c(c1)C(=O)/C(=C/c1cc(Br)c([O-])c(Br)c1)C2=O,0.0
CC(C)n1cc(-c2ccc(Oc3ccccc3)cc2)c2c(N)ncnc21,0.0
Cc1cc(Nc2nc(Nc3ccccc3)[nH+]c3ccccc23)n[nH]1,0.0
Cc1cc2nc(Nc3ccc(S(=O)(=O)NCC[NH+]4CCCC4)cc3)nnc2cc1N,0.0
Cc1cc(Nc2ncc(C(=O)Nc3c(C)cccc3Cl)s2)nc(C)n1,0.0
COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(F)c3)c1C2,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(NC(=O)C2CC2)s1,0.0
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@@H]1CCOC1,0.0
Nc1ncnc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2[C@@H]1CNOC1,0.0
Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Nc1ncccc1-c1ccncn1,0.0
Cc1nc(N)sc1-c1ccnc(Nc2ccc(N3CCOCC3)cc2)n1,0.0
C[NH+]1CCN(c2ccc(Nc3ncc4ccn(C5CCCCC5)c4n3)cc2)CC1,0.0
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3ccccc3c1CCC[NH+](C)C)C(=O)N2,0.0
Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)cc3)cc[nH+]c2c1,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc[nH+]cc3)nc21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cccnc3)nc21,0.0
NS(=O)(=O)c1cccc(Nc2nc(N3CC[NH2+]CC3)nc3[nH]cnc23)c1,0.0
Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12,0.0
O=C(CCc1ccccc1)n1c2cc(O)c(O)cc2c2ccc(O)c(O)c21,0.0
COc1cc2ncnc(Nc3ccc(Oc4ccccc4)cc3)c2cc1OC,0.0
Cc1cc(Nc2cc[nH+]c(Nc3cccc(-c4nc5ccccc5s4)c3)n2)n[nH]1,0.0
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]c3c(c1CCC(N)=O)CCCC3)C(=O)N2,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2-c1ccc(OCC[NH2+]CCO)cc1,0.0
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1,0.0
Cc1ccc(Oc2ccnc(Nc3ccc(S(N)(=O)=O)cc3)c2)c(C)n1,0.0
COc1cccc(Nc2cc(Oc3cc(C)c(C)nc3-c3ccccn3)ccn2)c1,0.0
O=C(c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)N1CCOCC1,0.0
COc1ccccc1Nc1cc(Oc2cc(C)c(C)nc2-c2ccccn2)ccn1,0.0
Cc1cccc(-c2nc(Nc3ccncn3)c3ccccc3n2)n1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(C[NH+]4CCCC4)cc3)c2)nc1,0.0
c1ccc(-c2nc(Nc3ccncc3)c3ccccc3n2)cc1,0.0
Clc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)c1,0.0
Cc1cccc(-c2nc(C)cc(Nc3ccncc3)n2)n1,0.0
Cc1cccc(-c2cc(Nc3ccncc3)c3ccccc3n2)n1,0.0
O=C([O-])c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0.0
Cc1cccc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1,0.0
c1ccc(-c2n[nH]cc2-c2ccc3ncccc3n2)nc1,0.0
[H]/[O+]=C(C)\N=c1/[nH]c(-c2ccc3nccnc3c2)c(-c2ccc(F)c(C)n2)[nH]1,0.0
Cc1cccc(-c2[nH]c(CNc3cccc(C(N)=O)c3)nc2-c2ccc3c(c2)OCO3)n1,0.0
c1ccc(-c2nn3c(c2-c2ccnc4cc(OC[C@@H]5CCCO5)ccc24)CCC3)nc1,0.0
C[NH+](C)CCCc1cccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)c1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCC[NH+]4CCCC4)cc3)c2)nc1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(OCCC4CCCCC4)cc3)c2)nc1,0.0
O=C(c1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1)N1CCCC1,0.0
C[NH+](C)CCOc1ccc(-c2cc(-c3c[nH]nc3-c3ccccn3)ccn2)cc1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(C[NH2+][C@@H]4CCCOC4)cc3)c2)nc1,0.0
Cc1csc(-c2nc(Nc3ccncc3)c3ccccc3n2)n1,0.0
C[NH+](C)CCCn1cnc2cc(-c3c(-c4ccccn4)nn4c3CCC4)ccc21,0.0
Cc1cccc(-c2[nH]c(CNc3cccc(C#N)c3)nc2-c2ccc3c(c2)OCO3)n1,0.0
C[N@@H+]1CCC[C@@H]1CCCOc1ccc2c(-c3c(-c4ccccn4)nn4c3CCC4)ccnc2c1,0.0
COc1cc2nccc(Oc3cc(C)c(C)cc3C(C)=O)c2cc1OC,0.0
Cc1cccc(-c2[nH]c(NCc3ccc(C#N)cc3)[nH+]c2-c2ccc3c(c2)OCO3)n1,0.0
Cc1cc(Nc2nc(-c3cccc(C)n3)nc3ccccc23)ccn1,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(CN4CCOCC4)cc3)c2)nc1,0.0
[H]/[O+]=C(C)\N=c1/[nH]c(-c2ccc3ncnn3c2)c(-c2ccc(F)c(C)n2)[nH]1,0.0
c1ccc(-c2nn3c(c2-c2ccnc4cc(OCCN5CCOCC5)ccc24)CCC3)nc1,0.0
O=C([O-])c1ccc(-c2nc(-c3ccc4c(c3)OCO4)c(-c3ccccn3)[nH]2)cc1,0.0
Cc1cc(Oc2ccnc(Nc3cccc(N4CCOCC4)c3)c2)c(-c2ccccn2)nc1C,0.0
Cc1cccc(-c2nc(Nc3cccc(C(N)=O)c3)c3ccccc3n2)n1,0.0
CCCCCCOc1ccc(C(=O)CCN2CCOCC2)c(Cl)c1Cl,0.0
CCCCCCOc1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1Cl,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2cccc(C(F)(F)F)c2)c1,0.0
Cc1cc(OCC(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1,0.0
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
CCNc1cccc(COc2c(Br)cc(CCC(=O)[O-])cc2Br)c1,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(Cc2ccc(F)cc2)c1,0.0
CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)[O-])cc3c2Cl)ccc1O,0.0
CC(C)(C)c1cc(Oc2c(Cl)cc(/[NH+]=c3\c([O-])c(O)c3=O)cc2Cl)ccc1O,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
CCCCCCS(=O)(=O)c1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl,0.0
CCCCCCSc1cc(Cl)c(C(=O)CCN2CCNC(=O)C2)cc1Cl,0.0
O=C([O-])CCc1cc(Br)c(OCc2cccc(Br)c2)c(Br)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
CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCOCC2)c(Cl)c1Cl,0.0
CC(C)c1cc(Oc2c(Cl)cc3[nH]c(C(=O)[O-])cc(=O)c3c2Cl)ccc1O,0.0
Cc1cc(-n2ncc(=O)[nH]c2=O)cc(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
CCCCCCOc1cc(Cl)c(C(=O)CC[NH+](C)C)cc1Cl,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C2CCCCC2)c1,0.0
CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCOCC2)c(Cl)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(-c2ccccc2Cl)c1,0.0
CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCN(C(C)=O)CC2)c(Cl)c1,0.0
O=c1cnn(-c2cc(Cl)c(Oc3ccc(O)c(Cc4ccc(F)cc4)c3)c(Cl)c2)c(=O)[nH]1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(Cc2ccc(Cl)cc2)c1,0.0
O=C([O-])CCc1cc(Br)c(OCC2CCCCC2)c(Br)c1,0.0
O=C([O-])Nc1cc(Cl)c(-c2cccc3c(-c4ccccc4)c(O)ccc23)c(Cl)c1,0.0
O=C([O-])CC(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1,0.0
CCCCCCOc1c(Br)cc(CCC(=O)[O-])cc1Br,0.0
Cc1cc(N[C@H](Cc2ccccc2)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
Cc1cc(NC(=O)C(=O)OCc2ccccc2)cc(C)c1Oc1ccc(O)c(C(C)C)c1,0.0
O=C([O-])C(=O)Nc1cc(Cl)c(Oc2ccc(O)c(Cc3ccc(Cl)cc3)c2)c(Cl)c1,0.0
CCOC(=O)C(=O)Nc1cc(C)c(Oc2ccc(O)c([C@@H](O)c3ccc(F)cc3)c2)c(C)c1,0.0
CCOC(=O)C(=O)Nc1cc(C)c(Cc2ccc3[nH]cc(C(C)C)c3c2)c(C)c1,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Oc1ccc(O)c(C(=O)c2ccc(F)cc2)c1,0.0
CC(C)c1cc(Oc2c(Cl)cc(N[C@H](Cc3ccccc3)C(=O)[O-])cc2Cl)ccc1O,0.0
NC(=[NH2+])NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccc(F)c3ccccc23)c1F,0.0
NC(=[NH2+])NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc3cccnc23)c1F,0.0
NC(=[NH2+])NOCCNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2cccc3cnccc23)c1F,0.0
[NH3+][C@H](C(=O)N1CCC[C@H]1C(=O)NC[C@H]1CC[C@H]([NH3+])CC1)C1CCCCC1,0.0
NC(N)=[NH+]CCC[C@@H](NC(=O)[C@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1)C(=O)c1nccs1,0.0
CC(C)(C)[C@@H](O)C(=O)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+],0.0
[NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)[C@H](O)C1CCCCC1,0.0
N#Cc1ccc(NCc2cccc3cccnc23)c(F)c1CC(=O)NCCONC(N)=[NH2+],0.0
NC(=[NH2+])c1ccc2nc(Cc3nc4ccccc4[nH]3)[nH]c2c1,0.0
FC(F)(CNc1cccc2oc(Cc3ccccc3-n3cnnn3)nc12)c1ccccn1,0.0
Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCC(F)(F)c2cccc[n+]2[O-])n1,0.0
Cc1cc2oc(Cc3cccc(Cl)c3)nc2c(NCC(F)(F)c2ccccn2)n1,0.0
CC(C)(C1CC1)[C@@H](O)C(=O)N1CC[C@H]1C(=O)NCc1cc(Cl)ccc1C[NH3+],0.0
Cn1c(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])ccc1C(N)=[NH2+],0.0
NC(=[NH2+])[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)Cc3ccccc3)C2=O)[C@H]1O,0.0
Cc1cnc(NCCc2cccc3ccccc23)c(=O)n1CC(=O)NCCONC(N)=[NH2+],0.0
O=C(Cn1c(Cl)cnc(NCC(F)(F)c2ccccn2)c1=O)NCc1cccc(Cl)c1,0.0
FC(F)(CNc1cccc2oc(Cc3cc(Cl)ccc3-n3cncn3)nc12)c1ccccn1,0.0
Cc1cc(OCCCON=C(N)N)cc(OS(=O)(=O)c2cccc3cnccc23)c1,0.0
NC(=[NH2+])NCCC[C@@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1Cc2ccccc2CN1,0.0
[NH3+]Cc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O,0.0
Cc1cc(OCCCC[NH+]=C(N)N)cc(OS(=O)(=O)c2ccccc2Cl)c1,0.0
Cc1cc(N)[nH+]c(C)c1CNC(=O)Cc1c(Cl)ccc(NCC(F)(F)c2ccccc2)c1F,0.0
FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)[C@@H]1CCCC[NH2+]1,0.0
[NH3+]Cc1ccc(Cl)cc1CNC(=O)[C@@H]1CCCN1C(=O)CO,0.0
NC(=[NH2+])c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])c1,0.0
N#Cc1ccc(NCC(F)(F)c2ccccn2)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1C[NH3+],0.0
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=[NH2+])[C@@H]1O,0.0
FC(F)(CNc1cccc2oc(Cc3cc(Cl)ccc3Cl)nc12)c1ccccn1,0.0
CCC[C@@H]1Cc2cc(C)n(CC(=O)NCc3ccc(N)[nH+]c3C)c(=O)c2NC1=O,0.0
Cc1cnc(NCCc2ccccn2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1,0.0
NC(=[NH2+])NCCC[C@H](NC(=O)CN1CCCC[C@H](NS(=O)(=O)Cc2ccccc2)C1=O)C(=O)[O-],0.0
C[C@@H](C(=O)NCc1ccc(C(N)=[NH2+])nc1)N(C)C(=O)[C@@H](CC1CCCCC1)[NH2+]CC(=O)[O-],0.0
Cc1cnc(NCCc2ccccc2)c(=O)n1CC(=O)NCc1ccc2[nH]ccc2c1,0.0
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cn1,0.0
[NH3+][C@H](Cc1ccccn1)C(=O)N1CCC[C@H]1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1,0.0
Cc1cccc(S(=O)(=O)Nc2ccc(C)n(CC(=O)NCCONC(N)=[NH2+])c2=O)c1,0.0
NC(=[NH2+])c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])n1,0.0
NC(=[NH2+])Nc1ccc(C(=O)Oc2ccc3cc(C(N)=[NH2+])ccc3c2)cc1,0.0
CC[C@@H]1CNCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
NC(=[NH2+])NCCC[C@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@H]1Cc2ccccc2CN1,0.0
Clc1cccc(Cc2nc3c(NCC[C@@H]4CCCC[NH2+]4)nccc3o2)c1,0.0
NC(=[NH2+])c1ccc(-n2ccc3ccc(NCc4ccc5ccc(C(N)=[NH2+])cc5c4)cc32)cc1,0.0
NC(=[NH2+])c1cccc(OCC(=O)Nc2ccc(C(=O)N3CC=CC3)cc2)c1,0.0
CC(C)[C@H]1[NH2+]CCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
NC(=[NH2+])[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)c3ccccc3)C2=O)[C@H]1O,0.0
NC(=[NH2+])c1ccc(O)c(OCC(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c1,0.0
NC(=[NH2+])c1cccc(Oc2nccc(Oc3cccc(C(N)=[NH2+])n3)n2)c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc([N+](=O)[O-])cc(-c4ccccc4)c3[O-])cc2c1,0.0
NC(=[NH2+])c1cccc(Oc2cncc(Oc3cccc(C(N)=[NH2+])n3)n2)c1,0.0
Cn1c(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])ccc1C(N)=[NH2+],0.0
NC(=[NH2+])c1ccc(CNc2ccc3ccn(Cc4ccc(C(N)=[NH2+])cc4)c3c2)cc1,0.0
CC(C)Oc1cc(NC(=O)c2ccc3cc(C(N)=[NH2+])ccc3c2)cc(OC(C)C)c1,0.0
O=C1N(Cc2ccccc2)C(=O)N1Cc1ccccc1,0.0
NC(=[NH2+])c1ccc2ncn(CC(=O)c3ccc(-c4ccccc4S(N)(=O)=O)cc3)c2c1,0.0
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1C(=O)N[C@H](C=O)CCCNC(N)=[NH2+],0.0
CC(C)Oc1cc(NC(=O)c2ccc3cc(C(N)=[NH2+])ccc3c2)cc(OC2CCCC2)c1,0.0
NC(=[NH2+])[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@@H](NS(=O)(=O)Cc3ccccc3)C2=O)[C@H]1O,0.0
Cc1cn(C)c(-c2cccc(Oc3cc(C(=O)[O-])cc(Oc4cc(C(N)=[NH2+])ccc4O)n3)c2)[nH+]1,0.0
NC(=[NH2+])NCCC[C@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)[C@@H]1CCc2ccccc2N1,0.0
COC(=O)C[C@H](CCc1ccc(NC(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1,0.0
[NH3+]Cc1ccc(Cl)cc1CNC(=O)Cn1c(Cl)cnc(NCC(F)(F)c2cccc[n+]2[O-])c1=O,0.0
NC(=[NH2+])NCCC[C@H](C=O)NC(=O)[C@@H]1CCCN1C(=O)c1cc2ccccc2[nH]1,0.0
NC(=[NH2+])c1ccc2[nH]c(Cc3nc4ccc(C(N)=[NH2+])cc4[nH]3)nc2c1,0.0
COC(=O)C[C@H](CCc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1cccc(C(N)=[NH2+])c1,0.0
FC(F)(CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12)[C@@H]1CCCC[NH2+]1,0.0
NC(=[NH2+])c1ccc2ccc(CN(CCc3c[nH]c[nH+]3)C(=O)c3cccc4ccccc34)cc2c1,0.0
NC(=[NH2+])c1ccc(CNC(=O)CNS(=O)(=O)c2ccc3ccccc3c2)cc1,0.0
COC(=O)CN(CCc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1,0.0
NC(=[NH2+])c1coc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])c1,0.0
C[NH2+][C@H](Cc1ccccc1)C(=O)N1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H](C(N)=[NH2+])[C@@H]1O,0.0
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])s1,0.0
COC(=O)CN(CCOc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2ccccc2)C2CCCCC2)CC1,0.0
NC(=[NH2+])c1cccc(O[C@@H](C(=O)Nc2ccc(C(=O)N3CCCC3)cc2)c2ccccc2)c1,0.0
NC(=[NH2+])c1cccc(CNc2ccc3ccn(-c4cccc(C(N)=[NH2+])c4)c3c2)c1,0.0
NC(=[NH2+])c1ccc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cn1,0.0
NC(=[NH2+])NCCC[C@H](NC(=O)C1CCCC1)C(=O)c1nc2ccccc2s1,0.0
O=C([O-])[C@@H]1[C@@H](CC2CC[NH2+]CC2)C(=O)N1C(=O)Nc1ccccc1,0.0
NC(=[NH2+])NCCC[C@H](NC(=O)c1ccc2ccccc2c1O)C(=O)N1CCC[C@@H]1C(N)=O,0.0
[NH3+]Cc1ccc(CC[NH2+]CCNS(=O)(=O)c2ccc3ccccc3c2)cc1,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)NCc2ccccc2)[C@@H]1C(=O)[O-],0.0
O=C(CCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
COCCn1cc(C(=O)N2CCC(c3cccc(C[NH3+])c3)CC2)c2cccc(C)c21,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)c2ccc(-c3ccccc3)cc2)[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
O=C(Nc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)OCc1ccccc1,0.0
O=C(CCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
O=C(CCc1ccccc1)Nc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)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(CCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
Cc1c(Cl)nc(NC2Cc3ccccc3C2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1,0.0
Cc1c(Cl)nc(NCCc2c[nH]c[nH+]2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)Nc2ccccc2)[C@@H]1C(=O)[O-],0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3c(c2)CCC3)cc1,0.0
O=C(CCCCCNC(=O)OCc1ccccc1)OCN1C(=O)c2ccccc2S1(=O)=O,0.0
O=C(NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)OCc1ccccc1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccccc2)cc1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2cc3ccccc3s2)cc1,0.0
CCOC(=O)N[C@@H](CCCC[NH3+])C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1,0.0
O=C(NCc1ccc(C(=O)OCN2C(=O)c3ccccc3S2(=O)=O)cc1)Oc1ccccc1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3c(c2)CNCC3)cc1,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)c2ccccc2)[C@@H]1C(=O)[O-],0.0
Cc1c(Cl)nc(NC[C@@H]2CCC[NH2+]C2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1,0.0
[NH3+]Cc1ccc(CCC[NH2+]CCNS(=O)(=O)c2ccc3sccc3c2)cc1,0.0
Cc1c(Cl)nc(NCC2CC[NH2+]CC2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1,0.0
CC(=O)N1CCC[C@@H]1C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
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
Cc1[nH+]c(N)ccc1CNc1nc(Cl)c(C)n(CC(=O)Nc2cccc(C[NH3+])c2)c1=O,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(Cc2ccc(OCCc3ccccc3)cc2)n1,0.0
CC(=O)N[C@@H](CC(C)C)C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
O=C(CCCC(=O)OCN1C(=O)c2ccccc2S1(=O)=O)NCc1ccc(Cl)c(Cl)c1,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(C(=O)c2cccs2)[C@@H]1C(=O)[O-],0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(C(=O)CCc3ccccc3)CC2)n1,0.0
CC(=O)N1CC=C[C@H]1C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
NC(=[NH2+])NCCC[C@H](NC(=O)[C@@H]1CCC[N@H+]1Cc1ccccc1)C(=O)c1nc2ccccc2s1,0.0
Cc1c(Cl)nc(N[C@H]2CC[C@H]([NH3+])CC2)c(=O)n1CC(=O)Nc1cccc(C[NH3+])c1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CCN(C(=O)CCCc3ccccc3)CC2)n1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc(S(=O)(=O)N2CCOCC2)cc1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc(S(=O)(=O)N2CC[NH2+]CC2)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
Cc1cc(CN(C)c2ccc3c4c(ccc(C)c24)C(=[NH2+])N3)ccn1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc(S(=O)(=O)c2ccc(O)cc2)cc1,0.0
CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(=O)N2,0.0
Cc1ccc(-c2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)cc1,0.0
CN(Cc1ccnc(Sc2ccccc2)c1)c1ccc2c3c(cccc13)C(=[NH2+])N2,0.0
CN(Cc1ccc(S(=O)(=O)c2ccccc2)cc1)c1ccc2c3c(cccc13)C(=[NH2+])N2,0.0
CC1=C(c2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)C(=O)c2ccccc2C1=O,0.0
O=C([O-])CCNC(=O)[C@H]1CCCN1S(=O)(=O)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
COc1ccc(S(=O)(=O)c2ccc(CN3CCCc4cc5[nH]c(N)[nH+]c5cc43)cc2)cc1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
O=c1[nH]c(=O)n([C@@H]2O[C@H](COP(=O)([O-])[O-])[C@@H](O)[C@@H]2F)cc1F,0.0
CN(Cc1cnc2nc(N)nc(N)c2n1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[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
C/[NH+]=C1\Nc2ccc(N(C)Cc3ccc(S(=O)(=O)N4CCOCC4)cc3)c3c(C)ccc1c23,0.0
Nc1nc2c(c(=O)[nH]1)C[C@@H](CCc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CN2,0.0
CC1=C(C)C(=O)C(c2cn([C@@H]3C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O3)c(=O)[nH]c2=O)=CC1=O,0.0
CCc1[nH+]c(N)nc(N)c1-c1cccc(Cl)c1,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(S(=O)(=O)c2ccccc2)cc1,0.0
O=c1nc(NO)c(F)cn1[C@H]1C[C@H](O)[C@@H](COP(=O)([O-])[O-])O1,0.0
Nc1nc(=O)c2c([nH]1)NC[C@@H](CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)N2,0.0
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ncc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s1,0.0
Cc1nc2ccc(CN(CCF)c3cnc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])s3)cc2c(=O)[nH]1,0.0
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1nnc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1,0.0
Cc1cc2nc(N)[nH]c(=O)c2n1Cc1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
CCc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1,0.0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](O)[C@@H](COP(=O)([O-])[O-])O2)cc1-c1ccc(OCc2ccccc2)cc1,0.0
Nc1nc2c(c(=O)[nH]1)N[C@H](CCNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2,0.0
C#CCN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc1,0.0
CN(Cc1ccc2nc(N)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1,0.0
Cc1c(Sc2ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])cc2)[nH]c2[nH+]c(N)nc(N)c12,0.0
Cc1nc2ccc3ccc(CNc4ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])c(F)c4)cc3c2c(=O)[nH]1,0.0
CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ncc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])s1,0.0
Nc1nc2c(c(=O)[nH]1)N[C@H](CNc1ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc1)CC2,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc(C(=O)N[C@@H](CCC(=O)[O-])C(=O)[O-])nc1,0.0
Cc1[nH]c2nc(N)[nH]c(=O)c2c1Sc1ccncc1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)CCC4)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(NC(=O)Nc3ccccc3)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3cccc(CCO)c3)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc([C@H]3O[C@@H]3c3ccccc3)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3cccc(CC4CCCC4)c3)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)CCCN4)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccc4c(c3)CC[NH2+]C4)ccc2c1,0.0
NC(N)=Nc1ncc(Cl)c2ccc(-c3ccc4c(c3)OCO4)cc12,0.0
CC[C@@H]1CNCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
NC(=[NH2+])c1ccc2cccc(NC(=O)OCc3ccccc3)c2c1,0.0
NC(=[NH2+])c1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cc1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3cccc(Oc4ccccc4)c3)ccc2c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Oc4ccccc4)c3O)cc2c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(-c4ccccc4)c3O)cc2c1,0.0
NC(=[NH2+])c1ccc2cc(C(=O)Nc3ccc4c(c3)OCO4)ccc2c1,0.0
C[C@H]1CCCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O,0.0
NC(=[NH2+])c1ccc2nc(-c3cccc(Oc4ccccc4)c3O)[nH]c2c1,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/c1ccc2c(c1)OCO2,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/c1cccc(C(=O)[O-])c1,0.0
CC(C)COc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O,0.0
CC(C)[C@H]1[NH2+]CCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(OC4CCCC4)c3O)cc2c1,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Br)c3[O-])cc2c1,0.0
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@@H]4CCCO4)c3O)nc2cc1F,0.0
NC(=[NH2+])c1ccc2cc(C#Cc3ccc(C[NH3+])cc3)ccc2c1,0.0
NC(=[NH2+])c1ccc2cc(C#Cc3ccc4c(c3)CCNC4)ccc2c1,0.0
CC(C)Oc1cc(NC(=O)c2ccc3cc(C(N)=[NH2+])ccc3c2)cc(OC(C)C)c1,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/C(=O)NCc1ccccc1,0.0
NC(=[NH2+])c1ccc2cc(CCc3ccccc3)cc(-c3ccoc3)c2c1,0.0
CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2ccc3c(c2)OCO3)n1,0.0
CC(C)Oc1cc(NC(=O)c2ccc3cc(C(N)=[NH2+])ccc3c2)cc(OC2CCCC2)c1,0.0
CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
C[C@H]1CCC[C@@H]1Oc1cccc(-c2nc3cc(F)c(C(N)=[NH2+])cc3[nH]2)c1O,0.0
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@@H]4CCC[NH2+]C4)c3O)nc2cc1F,0.0
NC(=[NH2+])c1ccc2cccc(Nc3ncccn3)c2c1,0.0
CSc1sc(C(N)=[NH2+])cc1-c1csc(NCCCc2ccccc2)n1,0.0
NC(N)=Nc1ncc(Cl)cc1C#Cc1ccccc1,0.0
NC(N)=[NH+]CCC[C@@H](CCl)NC(=O)[C@@H]1CCCN1C(=O)[C@H](N)Cc1ccccc1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cncc4[nH]nc(N)c34)cc2)c1,0.0
Nc1n[nH]c2ccnc(-c3ccc(NC(=O)Nc4cccc(C(F)(F)F)c4)cc3)c12,0.0
Cc1n[nH]c2cc(N(C)c3cc[nH+]c(Nc4cccc(S(N)(=O)=O)c4)n3)ccc12,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3cccc4[nH+][nH]c(N)c34)cc2)c1,0.0
Nc1c(-c2nc3nc(N4CCOCC4)ccc3[n-]2)c(=O)[nH]c2ccccc12,0.0
Nc1c(-c2ccc(NC(=O)Nc3cccc(C(F)(F)F)c3)cc2)cnc2ccnn12,0.0
Cc1cc(C)cc(NC(=O)Nc2ccc(-c3ccnc4[nH]nc(N)c34)cc2)c1,0.0
Cc1ccc(Nc2ccnc(Nc3cccc(Br)c3)n2)cc1O,0.0
Nc1c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
Cc1cc(C)cc(NC(=O)Nc2ccc(-c3cccc4onc(N)c34)cc2)c1,0.0
O=c1[nH]c2ccccc2cc1-c1cc2ccccc2[nH]1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4cc[nH+]c(N)c34)cc2)c1,0.0
Nc1[nH][nH+]c2cccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12,0.0
O=c1[nH]c2ccccc2cc1-c1cc2cc(S(=O)(=O)N[C@@H]3CC[NH2+]C3)ccc2[nH]1,0.0
Nc1c(-c2nc3cc(N4CCOCC4)ccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
O=C(Nc1cccc(-c2cncc3ccccc23)c1)c1ccccc1NCc1ccncc1,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3nsc4ncnc(N)c34)cc2)c1,0.0
Cc1cccc(NC(=O)Nc2ccc(-c3csc4ncnc(N)c34)cc2)c1,0.0
Clc1cnc(Nc2ccc(CC[NH+]3CCCC3)cc2)nc1-c1ccc2cc[nH]c2c1,0.0
O=C(Nc1ccc(-c2ccccc2)cc1)c1cccnc1NCc1ccncc1,0.0
Nc1c(-c2nc3ncccc3[nH]2)c(=O)[nH]c2ccccc12,0.0
COc1cc2ncnc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1OC,0.0
C[NH+]1CCN(Cc2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1,0.0
COC(=O)c1cn2ncnc(Oc3ccc4[nH]c(C)cc4c3F)c2c1C,0.0
O=C(Nc1ccc(Oc2ccccc2)cc1)c1cccnc1NCc1ccncc1,0.0
COc1cc2ncnc(Nc3ccc4c(C)n[nH]c4c3)c2cc1OC,0.0
C[NH+]1CCN(C(=O)c2ccc3[nH]c(-c4c(N)c5ccccc5[nH]c4=O)nc3c2)CC1,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC,0.0
O=C(NC1CC1)c1cc(NCc2cnc(Nc3ccccn3)s2)c(F)cc1F,0.0
CNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
Nc1n[nH]c2nccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12,0.0
c1ccc(-c2cnc(Nc3cc(C[NH+]4CCCC4)ccn3)s2)cc1,0.0
COc1cc2ncnc(Oc3ccc4c(C(N)=O)cccc4c3)c2cc1OC,0.0
O=C(Nc1ccc(C2CCCCC2)cc1)c1cccnc1NCc1ccncc1,0.0
COc1cc2c(Nc3ccc(Cl)cc3F)ncnc2cc1OCCn1ccnn1,0.0
Cn1c(=O)c(-c2c(Cl)ccc(O)c2Cl)cc2cnc(Nc3ccccc3)nc21,0.0
O=C1NC(=O)c2c1ccc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCNc1ccccc1,0.0
Cn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCC(=O)n1ccnc1,0.0
O=C1NC(=O)c2c1c(-c1ccccc1)cc1sc3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccc[nH]1)cc1[nH]c3ccc(O)cc3c21,0.0
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)c2c1ccc1c2c2cc(O)ccc2n1CCC(=O)N1CCOCC1,0.0
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(-c1ccncc1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCC[NH+]4CCCC4)c(O)cc3c21,0.0
C[NH+](C)CCNC(=O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1cc[nH]c1)cc1[nH]c3ccc(O)cc3c21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC(=O)[O-])cc3)nc21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1oc3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccsc1)cc1[nH]c3ccc(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3ccc(O)cc3c21,0.0
NC(=O)CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCO,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCn4cccc4)c(O)cc3c21,0.0
O=C([O-])CCn1c2ccc(O)cc2c2c3c(ccc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(OCCCN4CCOCC4)c(O)cc3c21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCn4cccc4)c(O)cc3c21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC4N=NN=N4)cc3)nc21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(OCCCC(=O)[O-])cc3)nc21,0.0
Cn1c(=O)c(-c2c(Cl)cc(O)cc2Cl)cc2cnc(Nc3ccc(OCCCC(=O)[O-])cc3)nc21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCC[NH+]4CCCC4)c(O)cc3c21,0.0
Cn1c(=O)c(-c2c(Cl)ccc(O)c2Cl)cc2cnc(Nc3ccc(OCCCC(=O)[O-])cc3)nc21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC(=O)OCC[NH+]4CCCCC4)cc3)nc21,0.0
Cn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3ccc(CCCC(=O)OCCN4CCOCC4)cc3)nc21,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1[nH]c3cc(CCCCN4CCOCC4)c(O)cc3c21,0.0
Cn1c2cc(CCCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
CC[NH+](CC)CCOc1ccc(Nc2ncc3cc(-c4c(Cl)cc(O)cc4Cl)c(=O)n(C)c3n2)cc1,0.0
Cn1c2cc(C(=O)NCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(OCCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(SCCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Cn1c2cc(SCCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
O=C1NC(=O)c2c1c(-c1ccccc1Cl)cc1c2c2cc(O)ccc2n1CCCO,0.0
Cn1c2cc([S@](=O)CCCn3cccc3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,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
NC(=O)CCn1c2ccc(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=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)NCc1ccccc1,0.0
C[C@H]([NH3+])C(=O)N[C@H]1CC[C@@H]2CC[C@@H](C(=O)NCc3ccccc3)N2C1=O,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)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1cccs1,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NCc1ccco1,0.0
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
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NCCc1ccccc1)C(C)(C)C,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
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
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)N[C@@H](Cc1ccccc1)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
CC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H]2CC[C@@H](C(=O)NC(c3ccccc3)c3ccccc3)N2C1=O,0.0
CC(C)[C@H](NC(=O)[C@H](C)[NH3+])C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1,0.0
CC[C@H]([NH3+])C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)NC(c1ccccc1)c1ccccc1)C(C)C,0.0
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)NC1c2ccccc2-c2ccccc21)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](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)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
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)N1CC[C@H]2CC[C@H](NC(=O)c3ccc(F)c4ccccc34)[C@H]21)C(C)(C)C,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
C[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3ccc(C)c4ccccc34)[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](C)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[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)C(c3ccccc3)c3ccccc3)[C@H]21)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)N(C)c3ccccc3)[C@H]21)C(C)(C)C,0.0
CC(C)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
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
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)[C@H](NC(=O)[C@H](C)[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[NH2+][C@@H](C)C(=O)N[C@H](C(=O)N1CC[C@H]2CC[C@H](NC(=O)c3c(OC)ccc4ccccc34)[C@H]21)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)c3ccc4occc4c3)[C@H]21)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
C[NH2+][C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](Cc1ccccc1)C(=O)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-])C(C)C,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)N[C@@H](Cc1ccc(O)cc1)C(=O)[O-],0.0
C#CCN(C)[C@H](C)Cc1cccc(OC(=O)N(C)C2CCCCC2)c1,1.0
C=CC[NH3+],1.0
c1ccc2c3c([nH]c2c1)C1=[NH+]CCN1CC3,1.0
O=c1c(-c2ccc(O)cc2)coc2cc(O)ccc12,1.0
NC(=S)N1N=C(c2cccs2)C[C@@H]1c1ccc(Cl)cc1,1.0
CCOc1ccc(/C=C2\SC(=O)N(CC[NH3+])C2=O)cc1,1.0
NC(=O)/C=C1\CCc2c(F)cc(F)cc21,1.0
c1ccc(CC[NH2+]Cc2ccc[nH]2)cc1,1.0
C[C@@H]([NH3+])Cc1ccc2c(c1Cl)CCN2,1.0
COc1ccc2c(c1)cc1n2CC[NH2+]C1,1.0
CC(=O)c1cccc2c1S(=O)(=O)c1ccccc1O2,1.0
Cn1c(N/N=C(/C=C/c2cccc(Cl)c2)c2ccccc2)nc2ccccc2c1=O,1.0
N#CCCn1nnc(-c2ccc(-c3ccccc3)cc2)n1,1.0
C=C(Br)COc1ccc2c3c(c(=O)oc2c1C)CCCC3,1.0
NC/C(=C/F)c1cccc(C(F)(F)F)c1,1.0
[NH3+][C@H]1CCCc2ccccc21,1.0
CC(C)NNC(=O)c1ccncc1,1.0
Cc1cc2c(nn1)-c1cc(OCCCC(F)(F)F)ccc1C2=O,1.0
O=C(Nc1ccccc1Cc1ccccc1)c1cc2ccccc2oc1=O,1.0
Cc1ccc2c(c1)O[C@H](c1ccccc1)CC2=O,1.0
c1ccc(COc2ccc([C@@H]3C[NH2+]CCS3)cc2)cc1,1.0
O=C(NCCN1CCOCC1)c1cccnc1Br,1.0
C(/C=C/c1ccccc1)=C\c1ccccc1,1.0
COc1cccc(-c2csc(N/N=C/c3c[nH]c4ccccc34)n2)c1,1.0
O=C1c2ccccc2-c2nc(-c3cccc([N+](=O)[O-])c3)nnc21,1.0
NC(=S)N1NC2=C(CCCC2)[C@H]1c1ccco1,1.0
c1ccc(NCc2cc3ccccc3[nH]2)cc1,1.0
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1,1.0
CCC(=O)N(CCCCCCCCCCCC[NH+]=C(N)N)[C@H]1CC[N@H+](CCc2ccccc2)CC1,1.0
CN(C(=O)c1cc2ccccc2n1C)c1ccccc1,1.0
CNC(=O)c1ccc2c(c1)C(=O)c1ccc(C(=O)NC)cc1S2(=O)=O,1.0
[NH3+]CCC[C@@]1(c2ccccc2)CC(c2cc(F)ccc2F)=NN1C(=O)N1CCCC1,0.0
O=C1C=C(S(=O)(=O)[O-])[C@H]2C=CC=C[C@H]2C1=O,0.0
O[C@H]1[C@H](O)[C@@H](O)C[N@H+]2CC[C@@H](O)[C@@H]12,0.0
CC(C)(C)c1ccc(SCCc2c[nH]c[nH+]2)cc1,0.0
COc1cc(Nc2cc(Oc3ccc(C)nc3C)ccn2)cc(OC)c1OC,0.0
CCCCCCCCCCCC[S@+](C)C[C@@H](P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
Nc1nc(N2CC[NH2+]CC2)c2c([nH+]1)C1=C(CC2)O[C@H]2CCCC[C@@H]12,0.0
Oc1cc2[nH]c3c(O)c(O)cc(Br)c3c2cc1O,0.0
N#C/C(=C(/N)Sc1ccccc1N)c1cccc([C@@H](O)c2cccs2)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
O=Cc1ccc(-c2ccc(-c3ccc(C=O)s3)s2)s1,0.0
O=C([O-])[C@H]1CC[C@@H]2CC[C@H](CCc3nnn[n-]3)C[C@@H]2C1,0.0
CCCc1nnc2c([O-])nc3cc(Cl)c(Cl)cc3n12,0.0
Cc1ccc2c3c(ccc(N(C)Cc4ccnnc4)c13)NC2=[NH2+],0.0
O/N=C/c1ccc(-c2ccc(O)cc2)c2ccoc12,0.0
OC[C@H]1O[C@@H](n2cnc3c2NC=[NH+]C[C@H]3O)[C@H](O)[C@@H]1O,0.0
Nc1nc2ccc(CNc3ccc(C(=O)N[C@H](CCC(=O)[O-])C(=O)[O-])cc3)nc2c(=O)[nH]1,0.0
O=S(=O)(NCC[NH2+]C/C=C/c1ccc(Br)cc1)c1cccc2cnccc12,0.0
Cn1c(C#N)ccc1-c1ccc2[nH]c(=S)n(C3CCCC3)c2c1,0.0
C1=C[C@@H]2CC[C@H]1C[N@H+]2CCOc1ccc(Cc2ccccc2)cc1,0.0
COCCOCC#Cc1cc(-c2n[nH]c3c2Cc2ccc(Cn4cncn4)cc2-3)cs1,0.0
O=C1Cc2ccc3c(c2O1)CCc1ccccc1C3=O,0.0
[O-][n+]1ccccc1C(F)(F)CNc1nccc2oc(Cc3ccccc3-n3cnnn3)nc12,0.0
CC1(C)CCOc2ccc(C(=O)Oc3ccc(/C=N/NC(N)=S)cc3)cc21,0.0
C/C=C(\C)CC(=C/C(=O)[O-])/C=C(C)/C=C1\CCCC(CC)=C1C(C)C,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
N[C@@H](Cn1oc(=O)[nH+]c1O)C(=O)O,0.0
[H]/N=C1/NC(=O)/C(=C(\C)c2ccc(-c3ccc(S(N)(=O)=O)cc3)o2)S1,0.0
FC(F)(F)c1cccc(Nc2ccccc2-c2nnc([S-])[nH]2)c1,0.0
c1n[nH]cc1-c1cnc2ncc(-c3cn[nH]c3)n2c1,0.0
S=C(NC[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2)Nc1nccs1,0.0
NC(=O)c1sc2c([N+](=O)[O-])cc(SC(F)(F)F)cc2[n+]1[O-],0.0
C=CCOc1cc(Cl)cc(Cl)c1/C=C/[C@@H]1C[C@@H](O)CC(=O)O1,0.0
CC(C)[NH2+]CCCn1c(Sc2cc3c(cc2I)OCO3)nc2c(N)ncnc21,0.0
[NH3+][C@@H](c1ccc(Cl)cc1)c1ccc(-c2ncnc3nc[nH]c23)cc1,0.0
Cc1cc(-c2cccc3cc[nH]c23)c(Cl)c2c1NC(C)(C)C[C@@H]2C,0.0
CC(C)(C)c1nc(N2CC[NH+](CCCCN3CCC(=O)CCC3=O)CC2)cc(C(F)(F)F)n1,0.0
COc1ccc(C2=C[C-](C3=NC4=NC=NC(=O)C4=C3)C=CN2)cc1,0.0
CC(C)[C@H]1SC([N-]c2ccc(C3CCCCC3)cc2)=NC1=O,0.0
CN(C)c1nc(N2CCOCC2)c2cnn(C[C@@H](Cl)c3ccccc3)c2n1,0.0
C[C@H]([C@H](c1ccc2cc(OCC(C)(C)C)ccc2c1)n1cc[nH+]c1)[NH+](C)C,0.0
CC/C(=C(/CC)c1ccc(O)c(C[NH+](CC)CC)c1)c1ccc(O)c(C[NH+](CC)CC)c1,0.0
CN(CCC[NH2+]C[C@H](O)c1ccc([O-])c2[nH]c(=O)sc12)c1ccccc1,0.0
Cc1cc(/C=C/c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)no1,0.0
Nc1nc(C#C[C@@H](O)C2(O)CCCCC2)cn2nc(-c3ccco3)nc12,0.0
O[C@@H]1[C@@H](O)[C@@H]2N/C(=N\c3ccccc3)O[C@@H]2[C@@H]1O,0.0
O=C1NCCc2[nH]c(-c3ccnc(-c4ccsc4)c3)cc21,0.0
Cc1ccc(Nc2nc(N(C)c3ccc4c(C)n(C)nc4c3)cc[nH+]2)cc1S(N)(=O)=O,0.0
C[C@@H]1CC(N)=[NH+][C@@H]2CCC[C@H]12,0.0
C=C1C=C(C)CC(C)(C)[C@@H]1Cc1ccc([N+](=O)[O-])cc1,0.0
[H]/[O+]=C(C)/N=c1\[nH]c(-c2ccc3ncnn3c2)c(-c2cccc(C)n2)[nH]1,0.0
O=C([O-])c1ccc([N-]S(=O)(=O)c2ccsc2C(=O)[O-])cc1,0.0
[NH3+][C@H]1C[C@@H](N2Cc3cncnc3C2)CC[C@@H]1c1cc(F)c(F)cc1F,0.0
[NH3+]CC#CCN(Cc1nc2ccccc2[nH]1)[C@@H]1CCCc2cccnc21,0.0
CC1(C)OC([S-])=[NH+]c2ccc(-c3cncc(Br)c3)cc21,0.0
N#CCc1ccc2cc(Br)c(C(F)(F)P(=O)([O-])[O-])cc2c1,0.0
C=Cn1cc(C2=C(c3nn(CCC[NH+](C)C)c4ccccc34)C(=O)NC2=O)c2ccccc21,0.0
c1cc(C[N@@H+]2CCC[C@@H](Nc3ccc4[nH]ncc4c3)C2)co1,0.0
CC(C)Cn1c(=O)n(C)c(=O)c2[nH]c(C[C@@H]3C[C@@H]4CC[C@H]3C4)nc21,0.0
Cc1cccc(Cl)c1NC(=O)c1cnc(Nc2cccc(NCCO)[nH+]2)s1,0.0
O=c1c2c(O)cc(O)cc2ncn1-c1ccc(O)cn1,0.0
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(C[C@H]2C[NH2+]C[C@H]2NCC[NH2+]CCc2cccc(F)c2)cc(N)[nH+]1,0.0
N#Cc1ccc(Cn2c[nH+]cc2CN[C@H]2CCN(c3cccnc3)C2=O)cc1,0.0
COCCCOc1cc(C[C@@H](C[C@H]([NH3+])[C@@H](O)C[C@@H](C)C(=O)NCCN2CCS(=O)(=O)CC2)C(C)C)ccc1OC,0.0
Nc1nc([O-])c2[nH]cc(Cc3ccncc3)c2n1,0.0
c1sc2[n+](c1CS/C(NC1CCCCC1)=[NH+]\C1CCCCC1)CCCN2,0.0
CC1(C)CCC[C@]2(C)c3cc4c(C(F)(F)F)cc(=O)[nH]c4cc3N[C@H]12,0.0
CCCC[C@H](CN(O)C=O)C(=O)N[C@H](C(=O)c1ccco1)C(C)(C)C,0.0
Cc1cc(Nc2cnc(C#N)c(N[C@@H](C)c3ncc(F)cn3)n2)n[nH]1,0.0
CS(=O)(=O)c1cccc(-c2c[nH+]c(N)c3c(-c4ccc(F)c(Cl)c4)csc23)c1,0.0
O=C(CN1Cc2c(Br)cccc2NS1(=O)=O)NO,0.0
CCc1c(Sc2cccc3ccccc23)[nH]c2[nH+]c(N)nc(N)c12,0.0
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
Nc1ccc2c(c1)C(=O)/C(=C/c1cc(Br)c([O-])c(Br)c1)C2=O,0.0
O=C(/C=C/c1ccc(Sc2ccccc2OC2CCSCC2)c(C(F)(F)F)c1C(F)(F)F)N1CCOCC1,0.0
C[C@]12Cc3cnn(-c4ccc(F)cc4)c3C=C1CC[C@@H]2[C@H](O)c1ccsc1,0.0
O=C1C=C(C(F)(F)F)[C@@H]2C=C/C(=N\CC(F)(F)F)[CH-][C@H]2O1,0.0
CC(C)c1cc(Oc2c(Cl)cc(/[NH+]=c3\c([O-])c(O)c3=O)cc2Cl)ccc1O,0.0
CC[C@@H]1c2cc3c(cc2=[NH+]C[C@@H]1C)OC(O)=CC=3C(F)(F)F,0.0
O=Nc1c2n3cc(C(=O)[O-])[nH]c3c([O-])[nH+]c-2c2ccccc12,0.0
NC(=[NH2+])c1ccc2oc(-c3cccc(-c4ccccc4)c3O)cc2c1,0.0
Cc1n[nH]c2cnc(-c3cncc(OC[C@@H]([NH3+])Cc4c[nH]c5ccccc45)c3)cc12,0.0
Nc1nn2cccnc2c1-c1cc(NCc2ccccn2)ncn1,0.0
Clc1ccc(-c2noc(-c3occc3Cl)n2)nc1,0.0
O=C1N[C@@H]2C(=C[C@H](O)[C@@H](O)[C@H]2O)c2cc3c(c(O)c21)OCO3,0.0
Oc1ccc([C@@H]2CCc3cc(O)ccc3N2)cc1,0.0
Nc1cnc2ccn(S(=O)(=O)c3cccc4nonc34)c2c1,0.0
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
CC1(C)SC[C@@H](CCCCC(=O)Nc2ccc3c(c2)C[C@H](C(=O)[O-])OC3)S1,0.0
CS(=O)(=O)c1ccccc1C(F)(F)CNc1ccc(C#N)c(CC(=O)NCCONC(N)=[NH2+])c1F,0.0
O=C([O-])CCN(C(=O)CNC(=O)OCN1C(=O)c2ccccc2S1(=O)=O)C(=O)OCc1ccccc1,0.0
COC[C@@H]1CCCN1S(=O)(=O)c1ccc2c(c1)C(=O)C1=[NH+]CC3(CCCC3)CN12,0.0
Cc1cn(-c2ccc(-c3nnc(C4(c5ccc(Cl)cc5)CCC4)n3C)c(Cl)c2)c(C2CC2)n1,0.0
CCCCc1nc(Cl)c(C2=NO[C@@H](C(=O)OCC)C2)[nH]1,0.0
Cc1c(S(=O)(=O)c2ccc(=O)[nH]n2)oc2ccc(Cl)cc12,0.0
N/C(=N\c1ccc(Br)cn1)N[C@@H]1C[C@@H]1c1ccccc1,0.0
C[C@@](c1ccc(F)cc1)(c1c[nH]c2c([N-]S(C)(=O)=O)cccc12)C1CC1,0.0
NC(=O)c1cccc2cn(-c3ccc4c(c3)CCNC4)nc12,0.0
O=C([O-])C(=O)Nc1sc2c(c1C(=O)[O-])CC[NH2+]C2,0.0
Cc1cc[nH+]c(NC[C@@H](O)CON=C(C2CC2)C2CC2)c1,0.0
CCc1cc(NCc2cc3c(cc2OC)CCC3)c(=O)[nH]c1C,0.0
O=P([O-])([O-])[C@@](O)(C[n+]1cc[nH]c1)[P@@](=O)([O-])O,0.0
O=C(Nc1ccccc1)[C@@H]1CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2[nH+]1,0.0
C[C@H]1CNc2c(sc3ccc4occc4c23)C(=O)N1,0.0
CC(=O)C1=C([O-])C=C2Oc3c(C(N)=O)c(O)cc(O)c3[C@]2(C)C1=O,0.0
C=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
CCCCCCCCCCCCCCn1cc(C[NH2+][C@@H]2[C@H](O)[C@@H](O)[C@@H](O)[C@@H](O)[C@@H]2O)nn1,0.0
NC(=O)Nc1ccc(-c2ccc([C@@]3(C(F)(F)F)N=[NH+]3)cc2)cc1,0.0
Cc1nc(CCCCCCC(=O)c2ccccc2)n2nc(-n3ccnc3)ccc12,0.0
CC(O)(CC(=O)[O-])CC(=O)[O-],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
O=C1CCC(=C2C[C@@H]3[C@H](C2)[C@@H]2C[C@H]3[C@H](O)C2)CC1,0.0
CN1C(=[NH2+])N[C@](CCC2CCCCC2)(CC2CCCCC2)C1=O,0.0
CC1(c2ccc(Oc3ccccc3)cc2)C(=O)NC(=O)NC1=O,0.0
O=C1[C@@H]2C[C@H](SCc3cccc(-c4ccc(Br)cc4)c3)CN2C(=O)N1c1cc(Cl)cc(Cl)c1,0.0
CNc1nccc([C@H](C#N)c2nc3ccccc3s2)n1,0.0
CCOC(=O)/C(C#N)=c1\s/c(=C/Nc2cccc(C)c2)c(=O)n1CC,0.0
NC1=CC=C2SN=C3c4ccccc4C(=O)[C@H]1[C@@H]23,0.0
C/C(=C\CO[P@@](=O)([O-])OP(=O)([O-])[O-])CC/C=C(\C)COC(=O)c1cccc(C(=O)c2ccccc2)c1,0.0
CC(C)CNC(=O)[C@H](C)[NH2+]C[C@H](Cc1ccccc1)NC(=O)c1cc(CC[C@H]2C[C@@H]2C)cc(N(C)S(C)(=O)=O)c1,0.0
Cc1nsc(NC(=O)c2cc(Sc3nncn3C)ccc2N)n1,0.0
COc1nccc(-c2c(-c3ccc(F)cc3)ncn2C2CC[NH2+]CC2)n1,0.0
NC(=O)[C@H](/N=C1\C(=O)C(=O)[C@H]1Nc1cc[nH+]cc1)c1cccc(O)c1,0.0
COc1cccc2c1CCC[C@H]2C[N@H+](C)CCc1ccc2ccoc2c1,0.0
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
Nc1nccc2c1ncn2CC=C(CO)CO,0.0
Cc1c(/N=C2\O[C@H](C(F)(F)F)[C@@H]3[C@@H](O)CCN23)ccc(C#N)c1Cl,0.0
CCc1c(C(=O)C(N)=O)c2c(OC/C([O-])=N/S(=O)(=O)c3ccccc3)cccc2n1Cc1ccccc1,0.0
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(N[C@H]1C[NH2+]CCC[C@H]1OC(=O)c1cc(O)c([C@H]2OC(=O)c3cccc(O)c32)c(O)c1)c1ccc(O)cc1,0.0
CC(C)(C)c1ccc(Nc2nc(NCc3cccnc3)ncc2-c2nnn[n-]2)cc1,0.0
Cc1cc(OCC/C=N/[NH+]=C(N)N)cc(OS(=O)(=O)c2ccc(Cl)s2)c1,0.0
Cc1cc(-c2ccc3nnc(Cc4ccc(O)cc4)n3n2)sn1,0.0
O=C1N=C([N-]Cc2ccccc2)S/C1=C\c1c[nH]c2ncccc12,0.0
Cc1nnc(C(=O)[C@@H]2C[C@H](F)CN2C(=O)C[NH2+][C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)o1,0.0
O=c1[nH]c2cc(Cl)c(Cl)cc2cc1P(=O)([O-])[O-],0.0
[H]/N=C(\C)c1cccc(C[NH2+]Cc2ccc(NC(C)=[NH2+])cc2)c1,0.0
O=C([O-])Cc1csc2cc(OCc3cc(-c4ccc(Cl)cc4)on3)ccc12,0.0
O=C(N[C@H](Cc1cccc2ccccc12)C(=O)OCCCS)C1Cc2ccccc2C1,0.0
O=C(CC(=O)c1ccc(Cc2ccc(F)cc2)o1)c1nc[n-]n1,0.0
O=C1N=C([O-])C(n2ccc3ccccc32)=C1n1ccc2ccccc21,0.0
O=[N+]([O-])c1cccc2c(Br)n[nH]c12,0.0
CC(C)(C)c1ccc2c(c1)[C@H]1OCCC[C@H]1[C@H](c1nccs1)N2,0.0
[NH2+]=C1Nc2ccccc2[C@H]2COC[C@@H]12,0.0
CC(C)=CCc1c(O)cc2oc3cc(O)c(O)c(CC=C(C)C)c3c(=O)c2c1O,0.0
CNS(=O)(=O)c1ccc2c(c1)/C(=C/c1[nH]cc3c1CCOC3=O)C(=O)N2,0.0
Cc1ccc(N2C(=O)N(c3ccc(C)cc3)C2=O)cc1,0.0
CONC(=O)c1cc2c(N[C@@H](C)c3ccccc3)nc(-n3c[nH+]c4ccncc43)nc2n1C,0.0
OC1=C([C@H](c2ccccc2)C2CC2)COC2=C1CCCCCCC2,0.0
[N-]=[N+]=[NH+][C@H]1C[C@H]([NH+]=[N+]=[N-])c2cc(C(=O)CC(=O)C(=O)[O-])ccc21,0.0
[NH3+][C@H]1CC(C[N@@H+]2CCc3ccccc3C2)=CC[C@@H]1c1cc(F)c(F)c(F)c1,0.0
CCCCCCS(=O)(=O)c1ccc(C(=O)CCN2CCNC(=O)C2)c(Cl)c1,0.0
Oc1cc(O)c(-c2noc3ccc(NCCN4CCOCC4)cc23)cc1Br,0.0
Cn1cc(-c2ccc3c(c2)CC/C3=N\O)c(-c2cccnc2)n1,0.0
C=CCO[C@H](C)C1=CC(C)(C)Nc2ccc(-c3cc(F)ccc3OC)cc21,0.0
COc1cc(N2CC[NH+](C(C)C)CC2)ccc1Nc1nc2[nH]ccc2c2nc3cccc(F)c3c(=O)n12,0.0
O=C(Nc1cc(Oc2cccc3[nH]c(=O)[nH]c23)c(F)c(F)c1F)c1cccc(OC(F)(F)F)c1,0.0
O=C1C[C@@H]2CCC[C@](Sc3ccccc3)(C1)C2,0.0
CCCOc1ccccc1-c1nc([O-])c2c(C)noc2n1,0.0
CC1=NN(C(=O)c2ccccc2O)C(=O)/C1=C/c1ccccc1O,0.0
[NH3+][C@H](CNc1ncc(-c2ccc3c(c2)CC(=O)N3)s1)Cc1ccc(C(F)(F)F)cc1,0.0
NS(=O)(=O)c1ccc(Nc2nc(OCC3CCCCC3)c3nc[nH]c3n2)cc1,0.0
O[C@@H](C[NH2+]C[C@H]1CC[N@H+](CCC(F)(F)F)CC1)COc1cccc2[nH]c3ccccc3c12,0.0
CC#C[C@@]1(O)CC[C@@]2(CC)c3ccc(OCc4cccnc4C)cc3CC[C@@H]2C1,0.0
[NH3+][C@@H](Cn1c2c(c(=O)[nH]c1=O)CSC2)C(=O)[O-],0.0
Nc1c2c([nH+]c3cc(Cl)ccc13)[C@H]1CC[C@@H]2C1,0.0
NS(=O)(=O)c1[nH+]c2ccc([N-]S(=O)(=O)C(F)(F)C(F)(F)C(F)(F)C(F)(F)F)cc2s1,0.0
C[C@H]1OC(Cc2ccc(Cl)c(Oc3cc(Cl)cc(C#N)c3)c2F)=NNC1=O,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
COc1cc2c(Nc3c(F)cc(Br)cc3F)ncnc2cc1OCCn1ccnn1,0.0
CC[C@H](Cc1ccccc1)c1ccc2c([O-])c([C@H](CC)c3ccccc3)c(=O)oc2c1,0.0
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
C1=CCc2c(-c3ccccc3)[nH]c(-c3ccccc3)c2C1,0.0
Cc1oc(-c2ccccc2)nc1COc1ccc(CCC[C@H]2OC(=O)NC2=O)cn1,0.0
C#CCN(Cc1ccc2nc(C)[nH]c(=O)c2c1)c1ccc([S@](=O)c2ccccc2)c(Cl)c1,0.0
CCC(C)(C)C(=O)C(=O)N1CCC[C@H]1C(=O)SCCCc1ccc(OC)cc1,0.0
C[C@H](CO)/[NH+]=C(\N)c1c(Nc2ccc(Sc3ccccc3)cc2)s[nH]c1=O,0.0
Fc1ccc(Sc2ccc3nnc(-c4ccc(F)cc4F)n3c2)c(F)c1,0.0
Cc1[nH+]c(N)ccc1CNC(=O)Cn1c(C)cc(S(=O)(=O)NC2CC2)c(N)c1=O,0.0
Cc1cc2c(F)c(Oc3ncnn4cc(OC[C@@H](C)OC(=O)CN)c(C)c34)ccc2[nH]1,0.0
OC[C@@H]1C[NH2+]C[C@H](O)[C@@H]1O,0.0
O=C(c1cc(Cc2ccccc2)cc(CN2CCCS2(=O)=O)c1)c1ncc2cccnc2c1O,0.0
COc1ccc(COc2cnc(COc3nc(-c4cnn(C)c4)cnc3N)cc2OC)cc1,0.0
O=C([O-])CN1C(=O)S/C(=C/c2coc3ccc([N+](=O)[O-])cc3c2=O)C1=O,0.0
Cc1cccc(C)c1/C=C/n1cnc2c(Nc3ccc(P(C)(C)=O)cc3)ncnc21,0.0
CC(C)C[NH+]1CCN(CCc2ccc(-c3cccc(N)[nH+]3)cc2)CC1,0.0
C[NH+](C)Cc1ccc(Oc2ccc3c(-c4c(-c5ccccn5)nn5c4CCC5)ccnc3c2)cc1,0.0
Cc1cccc(N(C)c2ncnc3n[nH]cc23)c1,0.0
C[C@@H]([C@H]1CC[C@H](c2cccc3ncnn32)CC1)[C@H]([NH3+])C(=O)N1CCC(F)(F)C1,0.0
Cc1cc(C#N)sc1-c1ccc2c(c1)C(C)(C)C(=O)C(C)(C)N2,0.0
Nc1cc(Cl)nc(SC/C=C/c2ccccc2)n1,0.0
O=C([O-])c1ccccc1N/N=C/c1ccc(-c2ccccc2Cl)o1,0.0
Cc1noc(C)c1-c1ccc(CNC(=O)c2cnc3c(c(C)nn3C)c2Cl)cc1,0.0
NC(N)=Nc1nc(-c2ccc(CNc3[nH]c4ccccc4[nH+]3)s2)cs1,0.0
Cc1cccc(C)c1CNc1cc(-n2cccn2)cn2c(C)c(C)[nH+]c12,0.0
COc1ccc(C(=O)C#Cc2ccc(S(C)(=O)=O)cc2)c2ccccc12,0.0
CCc1c(C)[nH]n(-c2nnn[n-]2)c1=O,0.0
O=C(Nc1ccc2c(c1)OC(F)(F)O2)c1ccccc1NCc1cc[nH+]c(NCCCn2cc[nH+]c2)c1,0.0
COc1ccc(-c2snnc2-c2cc(Cl)c(O)cc2O)cc1OC,0.0
O=C([O-])C1=NO[C@H]2C[NH2+][C@H](C(=O)[O-])[C@@H]12,0.0
CCCCCCCCCCCCC/C=C1\C(=O)O[C@@H](CO)[C@@H]1OC(C)=O,0.0
CCN(C)C(=O)c1cc(-c2[nH]ncc2-c2cccc(Cl)c2)c[nH]1,0.0
O=C([O-])C[C@H](O)C[C@H](O)CCn1c(C(F)(F)F)nc(-c2ccc(F)cc2)c1-c1cccs1,0.0
Cc1ccc2c(c1)N(Cc1cc(F)cc3c1OCOC3)C(=O)/C2=N\O,0.0
NC(N)=Nc1ncc(Cl)cc1/C=C/C1CCCCC1,0.0
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
Oc1cc2c(cc1O)[C@@H]1c3ccc(O)c(O)c3OC[C@]1(O)C2,0.0
CCN(C[C@](O)(CNc1nc(C)nc2c1cnn2-c1ccccc1)C(F)(F)F)S(=O)(=O)c1ccc(F)cc1,0.0
CNC(=O)Nc1ccc2c(c1)/c(=C/C(=O)[O-])c1c2[nH]c(=O)c2nccn21,0.0
S=C(NCCOc1nc2cc(Cl)ccc2n2cccc12)Nc1ccc(Br)cn1,0.0
CC(=O)N1CCC(Nc2ncc3c(n2)-c2c(c(C(N)=O)nn2C)CC3)CC1,0.0
O=C(NO)C1(NS(=O)(=O)c2ccc(Oc3ccncc3)cc2)CCOCC1,0.0
Oc1cc2c3ccc(O)c(O)c3n(CCCc3ccccc3)c2cc1O,0.0
O=C(N[C@@H]1CCC[C@@H]1[NH2+]Cc1ccc(-n2ccccc2=O)cc1)c1ccc(Cl)s1,0.0
C[C@@H](c1ccc(-c2ccc(=O)n(C)c2)cc1)[C@H](N)C(=O)N1CC(F)C1,0.0
O=C(Cc1ccccc1)Nc1cccc(-c2nc3sccn3c2-c2ccnc(Nc3ccc4c(c3)CC[NH2+]C4)n2)c1,0.0
NC(=[NH2+])c1cc(CNC(=O)[C@@H]2C=CCN2C(=O)[C@@H](CC2CCCCC2)[NH2+]CC(=O)[O-])cs1,0.0
CCCC(=O)OCOC(=O)c1sc2c([N+](=O)[O-])c([O-])c(O)cc2c1Cl,0.0
OCCCCC1=Nc2ccccc2-c2ncnc3[nH]cc1c23,0.0
O=c1[nH]ccc2c(S(=O)(=O)CN3CCC[NH2+]CC3)cccc12,0.0
Cn1c(=O)c(Oc2ccc(F)cc2F)cc2cnc(NC(CCO)CCO)nc21,0.0
O=C1ON=C(c2ccccc2)/C1=C/c1ccco1,0.0
CC(C)=C1C[C@@](CO)(COC(=O)CCCOc2ccc(C#Cc3ccc(C)cc3)cc2)OC1=O,0.0
Brc1cccc(Nc2nc[nH+]c3cc4c(cc23)CN4)c1,0.0
O=C([O-])c1cccc2c3c(n(Cc4ccccc4C(F)(F)F)c12)CCCCC3,0.0
O=c1c(C2=NS(=O)(=O)c3ccccc3[N-]2)c([O-])n(CCC2CC2)c2ccc(F)cc12,0.0
COc1cc(Nc2nc(N[C@H]3CCCC[C@H]3[NH3+])n3cnnc3c2C(N)=O)cc(OC)c1,0.0
CCc1cc(C(C)=O)c(O)cc1OCc1cccc(C(=O)NCCCCCCCCCC(=O)NO)n1,0.0
O=[N+]([O-])c1cc(O)c2c(c1)S(=O)(=O)N=C([N-]c1ccccc1Cl)N2,0.0
C[C@@H]1CNC(=O)c2[nH]c3ccc(C(=O)Nc4nc(C(=O)NCC[NH+](C)C)cs4)cc3c21,0.0
C[NH2+]CCN(C)c1nc(Nc2ccncc2)nc(NC2Cc3ccccc3C2)n1,0.0
CCOC(=O)C(C)(C)c1ccc2c(C)cc(Oc3ccc(C(N)=[NH2+])cc3)nc2c1,0.0
O=C(Cn1ccnc1)c1ccc(-c2ccc(N3C[C@H](Cn4ccnn4)OC3=O)cc2F)cn1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)[C@H](Sc1ccc(S(=O)(=O)c2ccccc2)cc1)CCC3,0.0
[NH3+][C@@H]1CCN(C(=O)c2ccc3[nH]c(-c4cc5ccccc5[nH]c4=O)cc3c2)C1,0.0
Nc1nc(-c2ccccc2)c2c(n1)-c1cc(CNN3CCC(=O)CC3)ccc1C2=O,0.0
O=c1[nH]cnc2c([C@@H]3N[C@H](CSc4ccccc4)[C@@H](O)[C@H]3O)c[nH]c12,0.0
Nc1ncnc2c1c(-c1cccc(O)c1)cn2C1CCC1,0.0
O=C1NC(=O)c2c1c(-c1cccs1)cc1[nH]c3ccc(O)cc3c21,0.0
Cc1cccc(CCC(=O)N2CCN(C(=O)N3C(=O)[C@H](CC4CC[NH2+]CC4)[C@H]3C(=O)[O-])CC2)c1,0.0
Fc1ccc2c(CCC[N@H+]3CC[C@H](c4noc5cc(F)ccc54)CC3)noc2c1,0.0
O[C@H]1CC[C@H](Nc2nccc(-c3c[nH]nc3[C@@H]3CCCOC3)n2)CC1,0.0
CCN1C(=O)c2nc(Cc3ccccc3)[nH]c2N2C1=[NH+][C@@H]1CCC[C@@H]12,0.0
O=C([O-])c1ccc(-c2nc(-c3ccccn3)c(C3=CC=C4OCO[C@H]4C3)[nH]2)cc1,0.0
CCOc1cc2ncc(C#N)c(Nc3ccc(F)c(Cl)c3)c2cc1NC(=O)/C=C/C[NH+](C)C,0.0
O=C(CNO)Cc1c[nH]c2ccc(F)cc12,0.0
CCCC[C@H]1CN(C(=O)c2cccc(C)c2C)CCN1C[C@@H]([NH3+])CS,0.0
CC(C)Oc1cc(OCCc2ccsc2)cc(C(=O)Nc2ccc(C(=O)[O-])cn2)c1,0.0
COc1c2c(c(O)c3c1NCCN3)C(=O)N(Cc1ccc(F)cc1)C2,0.0
O=C(Nc1ccc(Cl)cc1)[C@H]1C(=O)N2c3ccccc3CCc3cccc1c32,0.0
CCCc1c(OCCCSc2ccc(CC(=O)[O-])cc2Cl)ccc(/C(CC)=N/O)c1O,0.0
CCC1(CC)OC(=O)N(C)c2ccc(Nc3cccc(Cl)c3Cl)cc21,0.0
Clc1ccc(Cn2cc(-c3ccncc3)cn2)c(Cl)c1,0.0
O=S(=O)([N-]c1cc(Cl)cnc1Oc1cncc(Cl)c1)c1ccc(Cl)c(Cl)c1,0.0
Cc1cc(O)cc2c1N=C(c1ccc(O)c(Br)c1)[C@@H](C)O2,0.0
C[C@H]1O[C@@H]2CC(=O)O[C@@H]2C2=C1C(=O)c1cc([C@H]3C[C@@H]([NH+](C)C)[C@H](O)[C@@H](C)O3)ccc1C2=O,0.0
N#Cc1ccc(Cn2ccnc2)cc1Oc1cccc(-c2ccccc2)c1,0.0
CCN(C)c1cc(-c2ccc(Sc3ccccc3C(C)C)c(C(F)(F)F)c2)ncn1,0.0
C[C@H](Oc1cc(-c2cnc3ccccn23)sc1C(N)=O)c1ccccc1Cl,0.0
C[C@H](CCc1ccc(O)cc1)[NH2+]C[C@@H](O)c1ccc(O)cc1,0.0
Nc1cc(-n2nnnc2C(=O)Nc2ccc(-c3ccccc3S(N)(=O)=O)cn2)ccc1Cl,0.0
O=C(Nc1cc(Br)cc(C(F)(F)F)c1)[C@@H]1CC(=O)N(C2CCCCC2)C1,0.0
O=c1[nH]cnc2c1ncn2CC[C@@H]1C[C@H]1C(F)(F)P(=O)([O-])[O-],0.0
O=C(Nc1cc2cc[nH]c(=O)c2cc1Cl)[C@H]([NH2+]C1CC1)c1ccccc1,0.0
CC(C)(C(=O)[O-])c1cc(-c2cccc(CNC(=O)[C@@H](O)Cc3ccccc3)c2)c(O)c(-c2cc3c(N)[nH+]ccc3[nH]2)c1,0.0
O=C(NCCc1cccs1)[C@H](O)[C@@H](O)C(=O)N1Cc2ccccc2C1,0.0
C[N@H+](CCN1CCN(c2cccc(C(F)(F)F)c2)C1=O)C[C@]12CC[C@H](CC1)C2(C)C,0.0
CC(/C=C/C[N@H+](CC1CC1)c1cc(C(C)(C)C)cc2c1CCC2(C)C)=C\C(=O)[O-],0.0
CC(C)c1ccc(S(=O)(=O)Cc2ccc([C@]34C[NH2+]C[C@H]3C4)cc2)cc1,0.0
C#C[C@@H]1Cc2ccccc2C(N)=[NH+]1,0.0
CCCCc1oc2ccccc2c1Cc1ccc2c(Br)c(OCn3cnnn3)ccc2c1,0.0
O=C([O-])CN(C(=O)CCc1nc2c(F)c(F)cc(F)c2s1)c1ccccc1,0.0
CSc1nc(-c2cc[nH+]c(N[C@@H]3CCc4ccccc43)c2)c(-c2ccc(F)cc2)[nH]1,0.0
O=c1[nH]c2cc([N+](=O)[O-])cc(CNc3cnccn3)c2[nH]c1=O,0.0
Nc1nccc(Nc2ccc3[nH]nc(-c4ccc[nH]4)c3c2)n1,0.0
OC[C@@H]1O[C@]2(ON=C(c3ccc4ccccc4c3)S2)[C@H](O)[C@H](O)[C@H]1O,0.0
O=c1ccc2c([nH]1)CCC[C@H]2[NH2+]CCCCCCNc1c2c([nH+]c3ccccc13)CCCC2,0.0
N#Cc1cc(C=O)cc(O)c1[O-],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
N#Cc1ccc2ncn(-c3ncc4[nH]c(=O)n(Cc5c(F)cccc5F)c4n3)c2c1,0.0
CCCC[C@H](CC(=O)NO)S(=O)(=O)C1CCCCC1,0.0
O=C(Oc1ccccc1)c1cc(NCc2cc(O)ccc2O)ccc1O,0.0
COc1ccc(-c2ccc(S(=O)(=O)N(CC(=O)NO)OC(C)C)s2)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[C@@H]1c2nc(C(F)(F)F)nn2CCN1C(=O)C[C@H]([NH3+])Cc1cc(F)c(F)cc1F,0.0
COc1c(C(=O)NC[C@@H]2CCC[N@@H+]2[C@H]2[C@H]3CCC[C@@H]2CCC3)cc(Br)c2ccccc12,0.0
Nc1[nH][nH+]c2ccc(-c3ccc(S(=O)(=O)N4CCOCC4)cc3)cc12,0.0
C[C@H](O)[C@@H](CCc1cccc2nc(-c3ccc(Cl)cc3)oc12)n1cnc(C(N)=O)c1,0.0
[NH3+]C[C@H](Cc1ccncc1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,0.0
C[C@](CCC(=O)[O-])(NC(=O)c1ccc(CC[C@H]2CNc3[nH+]c(N)nc(N)c3C2)o1)C(=O)[O-],0.0
CCCC(=O)N1Cc2ccc(O)cc2C[C@@H]1C(=O)NCCC[NH2+]CCCC[NH2+]CCC[NH3+],0.0
O=C(NOCCO)c1ccc(F)c(F)c1Nc1ccc(I)cc1F,0.0
NC(=[NH2+])c1cc2c(/C=C/c3ccc4c(c3)OCO4)cccc2s1,0.0
Cn1cnc(-c2o[nH]c(=O)c2C[C@@H](N)C(=O)[O-])n1,0.0
N#Cc1ccc(N2N=C3c4ccc(C(=O)[O-])cc4CC[C@@H]3[C@@H]2C2CCC2)cc1Cl,0.0
O=C1NC[C@H]2c3c(cccc31)CCN2C(=O)CCn1cnc2ccccc21,0.0
Nc1nc2c(C3=CCCCC3)c[nH]c2c(=O)[nH]1,0.0
CS(=O)(=O)N[C@H](Cc1ccc([C@@H]2CC([O-])=NS2(=O)=O)cc1)c1nc2ccccc2[nH]1,0.0
C[NH+]1CCN(c2cnc3cc(C(F)(F)F)cc(-c4ccccc4)c3c2)CC1,0.0
C/C(=C1/C(=O)Nc2ccc(NC(N)=O)cc21)c1cc(CNC(=O)[C@@H]2C[NH2+]CCN2)c[nH]1,0.0
c1ccc(-n2ccc3cnc(Nc4cccc5c4CCCC5)nc32)nc1,0.0
Cc1ccc(C(=O)NC2CC2)cc1-c1ccc2c(N3CCOC[C@@H]3C)[nH+]ncc2c1,0.0
c1cncc(-c2noc(COc3ccc([C@H]4CC[NH2+]C[C@@H]4OCc4ccc5ccccc5c4)cc3)n2)c1,0.0
[NH3+]CCCC[C@H](NC(=O)OCc1ccccc1)C(=O)c1noc(CN2CC[NH+](CCCCc3ccccc3)CC2)n1,0.0
Cc1ccc2c(n1)Oc1ccc([C@H](C)C(=O)[O-])cc1C2,0.0
NC1=NC(=O)[C@@H]2N=C[C@H](Cc3ccccc3)[C@H]2N1,0.0
O=C1[C@@H]2[C@H](C(=O)N1c1ccc3cccnc3c1)[C@H]1C=C[C@@H]2C1,0.0
CSc1ccc(Oc2c(C)cc(-n3ncc(=O)[nH]c3=O)cc2C)cc1C,0.0
C[C@@H](C(=O)N[C@@H]1[C@@H]2C[C@@H]3C[C@H]1C[C@@](O)(C3)C2)[N@H+]1CCc2ccc3c(c2CC1)OCO3,0.0
OCCNc1nc(Nc2cc(Cl)ccc2O)nc(N2CCCC2)n1,0.0
C[C@H](CSC(=O)c1ccccc1)C(=O)N1[C@H](C(=O)[O-])C[C@@H]2CCCC[C@@H]21,0.0
COc1ccc(F)cc1C(C)(C)C[C@@](O)(Cc1cc(C)cc(C)c1C#N)C(F)(F)F,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
CCCCCCC[C@@H]1O[C@H](CC/C(C)=C/COc2c3ccoc3cc3oc(=O)ccc23)C(C)(C)O1,0.0
CCc1nnc(NC(=O)c2ccc(NS(=O)(=O)c3ccccc3)cc2)s1,0.0
CC1(C)CC(Nc2ccc(-c3sc(C(=O)[O-])c(OCC(=O)[O-])c3Br)cc2)CC(C)(C)C1,0.0
O=P([O-])([O-])[C@H](Nc1cccc[nH+]1)[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
Cc1noc(=O)c2ccc(NC(=O)[C@](O)(CC(C)(C)c3cccc4c3OCC4)C(F)(F)F)cc12,0.0
O=C1NN(c2ccc(I)cc2)C(=O)/C1=C\c1ccccc1,0.0
C=C[C@H](CCc1ccccc1)CC(=O)C(F)(F)c1ccc(Cc2ccccc2)cc1,0.0
COc1ccc2c(c1)O/C(=C\c1cc[n+](Cc3ccccc3F)cc1)C2=O,0.0
O=C(/N=c1/[nH]cc(-c2ccc(F)cc2)[nH]1)c1ccc2c(c1)Nc1ccccc1NC2=O,0.0
CC(C)C1=NN[C@H]2C=CC(CCc3ccc(F)cc3F)=CN12,0.0
O=C1[C@H]2C[C@H]2C(=O)N1c1cc(Cc2n[nH]c(=O)c3ccccc23)ccc1F,0.0
NS(=O)(=O)c1nc2ccc(OC(=O)c3c(F)c(F)c(F)c(F)c3F)cc2s1,0.0
COc1cccc2c1-c1ccc([N-]S(C)(=O)=O)cc1[C@@H](c1cccc(C)c1)O2,0.0
CS(=O)(=O)c1ccc(-c2nc(NC[C@H]3CC=CCC3)cc(C(F)(F)F)n2)cc1,0.0
CCCN(CC1CC1)c1nc(N[C@H](C)c2ccccc2)ncc1C#N,0.0
Cc1nc(-c2[nH+]c(N)[nH]c2-c2ccc3nccnc3c2)ccc1F,0.0
Cc1[nH+]c2cccc(F)c2c(N)c1CSCc1cccc(C(=O)C(F)(F)F)c1,0.0
COc1cc2ncn(-c3cc(OCc4ccccc4C(F)(F)F)c(-c4nnn[n-]4)s3)c2cc1OC,0.0
Cc1cccc(-c2ccc3c(n2)CCc2c-3nc3ccc(F)cc3c2C(=O)[O-])c1,0.0
Cc1c[nH]c2ncnc(N3CCN(C(=O)Nc4ccc(F)c(Br)c4)[C@@H](C)C3)c12,0.0
CCCc1nn(C)c2c(=O)[nH]c(-c3cc(S(=O)(=O)NCCNc4ccccc4)ccc3OCC)nc12,0.0
COc1cccc(-c2n[nH]c(Cc3cccc(Br)c3)n2)c1,0.0
O=C(NO)[C@H]1C[C@@]12C[C@@H](c1ccc(OCc3cc(-c4ccccc4)nc4ccccc34)c(F)c1)NC2=O,0.0
CCCCOc1ccc(-c2cnco2)cc1,0.0
N#Cc1c[nH]c(C(=O)Nc2ccccc2N2CCCCC2)c1,0.0
CCc1c(-c2ccc(O)cc2)c2ccc3c(O)ccc1n32,0.0
CC[C@]12CCC(=O)C(c3ccc(O)cc3)=C1c1ccc3n[nH]nc3c1C2,0.0
CC(C)c1ccc(CCNS(=O)(=O)c2cc(C(N)=[NH2+])ccc2O)c(NC(=O)C(=O)[O-])c1,0.0
C[NH+](C)[C@@H]1CCC[C@H]1Nc1nc(Nc2ccc3c(c2)CCS3(=O)=O)ncc1C(F)(F)F,0.0
CCN(CC)c1cc(C)c2cc(NC(=O)[C@H]3CC[C@H](C)CC3)ccc2[nH+]1,0.0
CCc1c(C#N)c(-c2ccc(-c3ccccc3SC)cc2)c(C(=O)[O-])n1C,0.0
Nc1nc(=O)n([C@@H]2C=C(F)[C@@H](CO)O2)cc1F,0.0
CC(=O)N[C@@H](C(=O)[O-])[C@@H]1CCC(=C2SCCCS2)C1,0.0
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
C[NH2+]C[C@H](CC1CCCCC1)NC(=O)N1CCC[C@@H]([C@@](O)(CCCCOC)c2cccc(Cl)c2F)C1,0.0
C[NH+](C)CCOc1cc(-c2cn[nH]c2)ccc1NC(=O)[C@@H]1COc2ccccc2O1,0.0
C=C1C[C@@H](c2ccc(NC(N)=[NH2+])cc2)CC(=O)O1,0.0
CNc1ncnc(-c2cccnc2Oc2ccc(F)c(C(=O)Nc3cc(C(F)(F)F)ccc3N(C)CCC[NH+](C)C)c2)n1,0.0
CC(=[NH2+])N1CCC(Oc2ccc(NCc3ccc4ccc(C(N)=[NH2+])cc4c3)cc2[N+](=O)[O-])CC1,0.0
Cc1cccc(C)c1-c1cc(C)c2nc(Nc3cccc(OCC[NH+]4CCCC4)c3)nnc2c1,0.0
Clc1ccc(NCC[C@H]2CC[N@H+](Cc3ccccc3)CC2)nn1,0.0
O=C(OC1CCCC1)c1ccccc1CSc1c([O-])cc(-c2ccccc2)oc1=O,0.0
C=CC(=O)NC1=CC=C2N=CN=C(Nc3ccc(OCc4ccccc4)cc3)[C@@H]21,0.0
Nc1c(-c2nc3ccccc3[nH]2)c(=O)[nH]c2cnccc12,0.0
CNC(=O)c1sc(C(C)(C)C)cc1NC(=O)Nc1ccc(C)cc1,0.0
FC(F)(F)c1nc2c(N3CCN(Cc4ccccc4)CC3)cccc2[nH]1,0.0
CCCCCCc1ccc(N/C=N/O)cc1,0.0
C=Cc1cc(O)cc2c1-c1ccc(O)c(C)c1CC2,0.0
O=c1c([O-])cccn1CS(=O)(=O)c1ccc(Oc2ccc(OC(F)(F)F)cc2)cc1,0.0
Cc1c(O)ccc2c1oc(=O)c1c(C)c(O)ccc12,0.0
CCCC/C(=C\Cn1oc(=O)nc1[O-])c1cccc(OCc2cc(Cl)cc(Cl)c2)c1,0.0
CC[C@H](c1cccc([N-]S(=O)(=O)c2ccc(C#N)cc2)c1)[C@H]1C(=O)O[C@@H]2CCC[C@@H]2C1=O,0.0
Nc1nc2c(cnn2COCCCCC[P@@](=O)([O-])O)c(=O)[nH]1,0.0
O=C([O-])Cc1nn(CSc2nc3ccccc3s2)c(=O)c2ccccc12,0.0
N#C/C(=C1/Nc2ccccc2S1)c1ccnc(NCCn2ccc3ccccc32)n1,0.0
NC(=[NH2+])c1cc2[nH]c(-c3cccc(OC[C@H]4CCC[NH2+]4)c3O)nc2cc1F,0.0
Nc1cc(-n2ccc(C(=O)c3ccccc3)c2)cc(F)c1O,0.0
CC(C)CCN1CCc2c(Br)cc3[nH]c(=O)c(=O)[nH]c3c2C1,0.0
O=C1NCCc2c1ccc1[nH]cc(CC[NH2+]Cc3ccccc3)c21,0.0
CC(=O)N[C@@H]1CCN(c2cc(-c3ccc(Sc4ccc5c(c4)OCCO5)c(C(F)(F)F)c3)cc[nH+]2)C1,0.0
N#Cc1ccc(N)[n+]([O-])c1CC(=O)NCc1cc(Cl)ccc1C[NH3+],0.0
O=C1c2ccccc2C(=O)N1CCn1ccc(=O)[nH]c1=O,0.0
Nc1nc(-c2ccco2)c2ncn(Cc3ccc(C(F)(F)F)cc3F)c2n1,0.0
CC(C)C[C@H](NC(=O)COc1cccc(-c2ccccc2)c1)C(=O)N[C@H]1CC(=O)O[C@@H]1O,0.0
CCCCCCCCC#Cc1ccc2c(c1)C[C@@H](CO)NC(=O)[C@H](C(C)C)N2C,0.0
CN1CC[C@@]2(C)c3cc(OC(=O)NC4CCCCC4)ccc3N(C)[C@@H]12,0.0
[O-]c1ccc(Cc2cc(Cc3cccc(Cl)c3)c3occc3c2)nn1,0.0
Oc1ccc(C2=c3ccc4n3[C@@H]3C(=CC=4)CCCC[C@@H]23)cc1,0.0
COCCOCOc1cc(C)c(-c2ccc(/C=C/C(=O)[O-])cc2Cl)cc1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
CSCC[C@H](C(=O)[O-])N1C(=O)c2ccc(C(=O)[O-])cc2C1=O,0.0
O=C(C[C@H](Nc1ccc([N+](=O)[O-])cc1)c1ccco1)c1ccc(Cl)cc1,0.0
O=C(Nc1ncc(C2CCC2)s1)Nc1cccc2ncccc12,0.0
CCc1[nH+]c(N)nc(N)c1-c1ccc2c(c1)N(CCNC(C)=O)C(=O)[C@](C)(C(F)(F)F)O2,0.0
CNc1ncc2cc(-c3c(C)ccc4c(Nc5ccc(Cl)cc5)nccc34)ccc2n1,0.0
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
Cc1c(-c2ccnc(N)n2)sc2ccc(Oc3cccc(O)c3)cc12,0.0
O=C(C[C@H]1Sc2ccccc2N(CC(=O)Nc2ccccn2)C1=O)NO,0.0
O=C([O-])C[C@H](O)C[C@H](O)COc1c(Cl)cc(Cl)cc1C(=O)C1CCCCC1,0.0
N/C(=N\c1cccc(C[NH3+])c1)c1ccccn1,0.0
CCc1cc(C#N)cc2c(NCc3ccc(OC)c(Cl)c3)c(CO)c[nH+]c12,0.0
CCn1c(-c2nonc2N)nc2cnc(OC)cc21,0.0
Nc1nc(F)nc2c1ncn2[C@@H]1C[C@H](O)[C@@H](O)[C@H]1O,0.0
CC1(C)[NH+]=C(N)N=C(N)N1c1ccc(Cl)cc1,0.0
NC(=[NH2+])NCCC[C@H]1C(=O)N(S(=O)(=O)c2ccc(-c3ccccc3)cc2)[C@@H]1C(=O)[O-],0.0
COC(=O)C1=CC(CO)=COc2oc3cccc(O)c3c(=O)c21,0.0
NS(=O)(=O)[N-]c1ccc(-c2ccc(C(F)(F)F)c(F)c2)cn1,0.0
[NH3+]CCN1CCc2c([nH]c3ccc(Cl)cc23)[C@H]1c1cccc(O)c1,0.0
Cc1cc(Nc2cccc(C)c2C)cc(SCC(=O)[O-])c1,0.0
CCCCCC[C@H]([C@H](C)O)n1cnc2c(N)cc[nH+]c21,0.0
Cc1c(C[NH2+][C@@H]2CCCc3ccccc32)cnc2nc(N)nc(N)c12,0.0
[NH3+][C@H]1[C@@H]2CC[C@@]1(O)[C@@H](O)[C@H](O)C2,0.0
O=C([O-])[C@@H]1CCCC[C@@H]1c1[nH]nc([S-])[nH+]1,0.0
C[C@@H]1CCc2cccc3c2[C@H]1Cc1ccc(O)c(O)c1-3,0.0
O=C([O-])CCc1cc([O-])c2n(c1=O)[C@@H](C(=O)[O-])CC2,0.0
CCCc1oc2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2c1C(=O)OCC,0.0
CCCc1nc(-c2cccnc2)cn2c(CC(=O)N[C@H](CC3CCCCC3)C(=O)C(F)(F)C(=O)NCC)nnc12,0.0
Cc1cc(=O)[nH]c2ccc3c(c12)COc1cccc(CO)c1-3,0.0
O=C(CCC[N@@H+]1CCC[C@@](O)(c2ccc(Cl)cc2)CC1)c1ccc(F)cc1,0.0
CC1(C)Oc2ccc(-c3ccc(NS(N)(=O)=O)cc3)cc2O1,0.0
CC1(C)C(=O)NC(=O)c2c1ccc1[nH]c(Nc3c(Cl)cccc3Cl)nc21,0.0
CC(C)Nc1nc2ccc(-c3ocnc3-c3ccccc3F)cc2s1,0.0
O=C1OCC(c2ccc(-c3nnn[n-]3)cc2)=C1c1ccccc1,0.0
Cc1ccc(-n2cncn2)c(CNC(=O)CN2C=C[NH+]=C(NCC(F)(F)c3ccccn3)C2)c1,0.0
CC(C)[C@H](NS(=O)(=O)c1ccc2c(c1)oc1ccc(N3CCOC3=O)cc12)C(=O)[O-],0.0
Cc1nc(C(F)(F)F)sc1CSc1ccc2c(ccn2CC(=O)[O-])c1,0.0
O=C[C@@H]1NN(c2ccc(F)cc2)[C@H]2[C@@H](Cc3ccc4ccccc4c3)CCC[C@@H]21,0.0
O=C1NC(=O)[C@@H](c2cc(Cl)ccc2S(=O)(=O)NCCCc2ccccc2)N1,0.0
C[n+]1c2c(c3n1C(=O)NCC3)c(=O)c1cc(Cl)ccc1n2[O-],0.0
O=c1[nH]c(CCC[N@@H+]2CCC3=C(CCc4ccccc43)C2)nc2ccccc12,0.0
Cc1cc(OCP(=O)([O-])[O-])cc(C)c1Cc1ccc(O)c(-c2ccccc2)c1,0.0
Cc1c(Cl)cccc1S(=O)(=O)[N-]c1cccc(CC(=O)N2CCCCC2)n1,0.0
CC[N@@H+]1CCC[C@@H](n2c(-c3cccc(/C=C/C(=O)NO)c3)nc(C)c2C)C1,0.0
NC(N)=NC(=O)Cn1c(-c2ccc(Oc3ccccc3)cc2)ccc1-c1csc2ccccc12,0.0
C[C@@H](O)[C@H](NC(=O)[C@@H]1CCCN1C(=O)[C@H](Cc1ccc(F)cc1)NC(=O)C[NH3+])C(=O)NCC(=O)NCC(=O)[O-],0.0
CCc1cc(-c2n[nH]cc2-c2c[nH]cn2)c(O)cc1O,0.0
CC1=C(C(=O)N(Cc2cc(=O)[nH]c3c(F)c(F)ccc23)c2cccc(Cl)c2)CNCC1,0.0
CC(=O)Nc1cc(-n2ccnn2)ccc1OCCCOc1ccc2c(c1)CC[C@H]2CC(=O)[O-],0.0
CCN(O)CCc1ccc2c(c1)[C@@H](O)c1ccccc1CO2,0.0
COc1cc2occ(-c3ccc(N4CCCCC4)cc3)c(=O)c2cc1OC,0.0
CC(C)(C)NC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2C[N@@H+]1C[C@@H](O)[C@H](Cc1ccccc1)NC(=O)O[C@@H]1C=CCOC1,0.0
CC(C)CNC(=O)[C@H]1[C@@H](C(=O)[O-])[C@H]2C=C[C@@H]1C2,0.0
Cc1cccc(-c2nc(Nc3ccncc3)c3sccc3n2)n1,0.0
Nc1ccc(-n2nc3c(N)nc4ccccc4n3c2=O)cc1,0.0
Cc1ccc(CSC[C@@H](NC(=O)[C@@H](CS)Cc2ccc3ccccc3c2)C(=O)[O-])cc1,0.0
CCCN(c1cc(/C=C\[C@@H]2C[C@@H]2C)cc(-c2nnc([C@](C)([NH3+])Cc3ccccc3)o2)c1)S(C)(=O)=O,0.0
NS(=O)(=O)c1ccc(CC/[NH+]=C/c2ccccc2F)cc1,0.0
NC(=O)c1cnc2cc(-c3ccc(C(=O)C4CC4)cc3)ccc2c1Nc1ccccc1,0.0
c1ccc(CNc2ncnc3c2sc2ccccc23)cc1,0.0
CC(C)(C)c1cc(NC(=O)NC2Cc3ccccc3C2)n(-c2ccccc2)n1,0.0
[O-]c1nc2cc(C3CCCCC3)nn2c2ccccc12,0.0
NC(=[NH2+])[C@@H]1CCC[C@H](NC(=O)CN2CCC[C@H](NS(=O)(=O)NC3CCCCC3)C2=O)[C@H]1O,0.0
COc1cc(N2C=c3c(c4c([nH]c3=O)=NC(N)=NC4=[NH2+])CC2)cc(OC)c1OC,0.0
CC[NH+](CC)Cc1ccc(/C=C/c2cc(-c3cc4c(=O)[nH]cnc4[nH]3)ccn2)cc1,0.0
O=C([O-])CC1=C/C(=C\c2ccc(-c3ccc(F)cc3F)cc2)c2ccc(F)cc21,0.0
O=C1c2ccccc2-c2n[nH]c3cccc1c23,0.0
CO/N=C/c1c(N)ncnc1Nc1ccc(OCc2cccc(F)c2)c(Cl)c1,0.0
COC(=O)c1ccc(/N=C2\SNC(=O)[C@H]2C(=[NH2+])NCC2CCCCC2)cc1,0.0
O=[N+]([O-])c1ccc([O-])c(/C=N/[NH+]=C(\[S-])[CH-]c2ccccc2)c1,0.0
[NH3+][C@@H](C[C@@H](C/C=C/c1cccc2ccccc12)C(=O)[O-])C(=O)[O-],0.0
Cc1cc(C)c(CNc2nc(Cl)c(C)n(CC(=O)Nc3cccc(C[NH3+])c3)c2=O)cc1C[NH3+],0.0
COc1cccc(Nc2ncc(-c3ccccc3)s2)n1,0.0
CN1C(=O)/C(=C/c2ccc(/C=C/C(=O)NCC[NH+](C)C)s2)Oc2ccccc21,0.0
C[C@]1([O-])C[C@@H](c2nc(-c3ccc4ccc(-c5ccccc5)nc4c3)c3c(N)nccn32)C1,0.0
O=C(Nc1c(F)cccc1Oc1ccc(C(=O)[O-])c(C(=O)[O-])c1)c1cc([N+](=O)[O-])ccn1,0.0
C/C(=C\c1nc(C(=O)[O-])c[nH]1)c1cc2c(cc1C)C(C)(C)CCC2(C)C,0.0
NS(=O)(=O)Oc1ccc2c3c(c(=O)oc2c1)CCCCC3,0.0
Oc1cc(-c2ccoc2)c2oc(-c3ccc(O)c(F)c3)nc2c1,0.0
COC(=O)c1sc(-c2cccs2)cc1NC(=O)/C=C/C(=O)[O-],0.0
O=P([O-])([O-])[C@H]([NH2+]C1CCCCCC1)[P@@](=O)([O-])O,0.0
Cc1ccsc1C/[NH+]=C1/Cc2nc(N)[nH]c(=O)c2N1,0.0
S=C1Nc2ccc(-c3cccc(-c4ccccc4)c3)cc2C12CCCCC2,0.0
Cc1[nH]c([N+](=O)[O-])c(C)c1-c1ccnc(Nc2ccc(F)cc2)n1,0.0
O=c1[nH]ccc2c3[nH]c(-c4c(F)cccc4Cl)nc3c3ccc(F)cc3c12,0.0
[O-]c1c(O)ccc2c1ncn2-c1ccccc1,0.0
CCn1c(=O)c2c(nc(/C=C/C=C/c3ccccc3)n2C)n(CC)c1=O,0.0
Cn1c(-n2nccn2)nc2c(N)nc(CCc3ccccc3)nc21,0.0
CC(C)(C)[NH2+]C[C@@H](O)CON=C1c2ccccc2-c2ccccc21,0.0
O[C@@H]1[C@@H](O)[C@H](O)C[C@H]2O[C@@H]12,0.0
Cc1[nH]c(=O)c(NCc2nc3c(Cl)ccc(Cl)c3o2)c2c1C2,0.0
O=C1NC(=O)/C(=C\c2ccc(-c3cccc(Br)c3)o2)S1,0.0
N#Cc1ccc(N2N=C(c3ccc4[nH]c(=O)oc4c3)C[C@@H]2c2ccc(F)cc2)cc1,0.0
O=C(NO)c1c(F)cccc1S(=O)(=O)N1CCC(Oc2ccc(C(F)(F)F)cc2)CC1,0.0
C[C@H](Oc1cc(-c2cnn(C3CC[NH2+]CC3)c2)c[nH+]c1N)c1c(Cl)ccc(F)c1Cl,0.0
CCCCCCCCCCCC(=O)c1c(C(=O)[O-])n(CCOc2ccc(C(=O)[O-])cc2F)c2ccccc12,0.0
COc1cc2[nH+]ccc(Oc3ccc4c(C(=O)NC5CC5)cccc4c3)c2cc1C(N)=O,0.0
COc1ccccc1COCCCOc1ccc(N2C(=O)CNC[C@@H]2COCc2ccc(Cl)c(C(F)(F)F)c2)cc1,0.0
Fc1ccc(-c2ccc3c(c2)CC=C3c2ccncc2)cc1,0.0
CC(C)[NH+](CCOc1ccc(C(=C2CCCCC2)c2ccc(O)cc2)cc1)C(C)C,0.0
O=S(=O)([O-])c1cccc2cccc(Nc3ccccc3)c12,0.0
O=c1c2cc(-n3cnnc3)c(Cl)cc2nc([O-])n1[O-],0.0
CC(C)(C)c1onc([O-])c1C[C@H]([NH3+])C(=O)[O-],0.0
CCc1ccc(N2C[C@@H](C(=O)[O-])CC2=O)cc1,0.0
C[C@@]1(C(=O)Nc2ccc(C#N)c(C(F)(F)F)c2)CC(C(F)(F)F)=NN1,0.0
O=c1[nH]c2cc(-n3cnc(-c4ccccc4)c3)c([N+](=O)[O-])cc2nc1[O-],0.0
O=C1CN(Cc2ccc(-c3cccc(N4CCc5ccc(F)cc54)c3)cc2)S(=O)(=O)N1,0.0
O=C(Cc1cccc(Cl)n1)Nc1ccc(CC[NH2+]C[C@H](O)COc2ccccc2)cc1,0.0
Cn1c(-c2ccccc2C(F)(F)F)nnc1-c1cccc2c1ccn2C,0.0
CCN(C(=O)c1ccc([C@](C)(O)C(F)(F)F)cc1)C1CCCCC1,0.0
Cc1cc(O)ccc1-c1cc2ccc(O)cc2s1,0.0
O=C(NC[C@H](NC(=O)c1c(Cl)cc(CC[C@H](O)c2cccc(O)c2)cc1Cl)C(=O)[O-])c1cccs1,0.0
CN(C/C=C/c1ccc(C[C@@H](C(=O)[O-])n2cccc2)cc1)c1cccc[nH+]1,0.0
O=C([O-])C(=O)Nc1cc(Cl)c(-c2cccc3c(Br)c(O)ccc23)c(Cl)c1,0.0
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
O=C(Nc1cccnc1)c1ccc2cc3n(c2c1)CCCNC3=O,0.0
N#C[C@@H]1CCCN1C(=O)[C@@H]1CC[C@H](COc2ccc3ccccc3c2)[NH2+]1,0.0
CN(C)[C@H](c1ccccc1)c1nc(=O)c(O)c(C(=O)NCc2ccc(F)cc2)[nH]1,0.0
CC1(C)CC(=O)C2=C(C1)NC(=S)N[C@H]2c1cccc(O)c1,0.0
C=C(C)[C@H](CC=C(C)C)Cc1c(O)cc(OC)c(C(=O)/C=C/c2ccc(O)cc2O)c1O,0.0
O=C(/C=C(/[O-])c1nnn[n-]1)c1c[nH]c2ccc(Cl)cc12,0.0
O=C1Cc2c([nH]c3ccc(Br)cc23)-c2ccccc2N1,0.0
CCc1ccc(O[C@H](C)CCOc2ccc(CCC(=O)[O-])c(C)c2)c(-c2ncco2)c1,0.0
Cc1cc(NC(=O)Nc2ncc(CCNc3cc(Nc4ncn[nH]4)ncn3)s2)c(C(F)(F)F)o1,0.0
CC1=C(C(=O)[O-])[C@@H](c2ccc(OCCOc3cccc4ccc(C)nc34)cc2)NC(=O)N1,0.0
[NH3+][C@@H](CS)CNc1ccc(-c2cccc(C3[NH+]=NN=[NH+]3)c2)cc1,0.0
COc1cc(-c2ccc(C[C@H]3[NH2+]CCc4cc(O)c(O)cc43)cc2)cc(OC)c1OC,0.0
[NH3+]C1(COCc2ccc(Cl)cc2)CCN(c2ncnc3[nH]ccc23)CC1,0.0
[NH3+]Cc1cccc(C2CCN(C(=O)c3cn(CC4CC4)c4ccccc34)CC2)c1,0.0
CNC(=O)Oc1cccc(C[N@H+](C)CCCOc2ccc3c(=O)c4ccccc4oc3c2)c1,0.0
CC(C)(C)NC(=O)NCCNc1nccc(-c2[nH]c(C3CC3)nc2-c2ccccc2Cl)n1,0.0
NS(=O)(=O)c1ccc(N/N=C2\C(=O)Nc3ccc4[nH]nc(Cl)c4c32)cc1,0.0
c1cncc(-c2ccc(C[NH2+]Cc3ccc(-c4cccnc4)s3)s2)c1,0.0
O=C1c2ccc(O)cc2C(=O)N1c1cccc2c(O)cccc12,0.0
Cc1ccc(-c2nc(CCCC[C@H]3CO[C@@](C)(C(=O)[O-])OC3)c(C)s2)cc1,0.0
CC(C)(C)c1ccc2c(c1)[nH]c1ccccc12,0.0
O=C(N1CCC2(CCCCC2)C1)C1(c2ccncc2)CC1,0.0
CC1CCN(C(=O)c2ccc(CSc3ccc(Cl)cc3)cc2)CC1,0.0
CCCCC[C@H]1C[C@@]2(C)[C@H](CC[C@@H]2O)[C@H]2CCC3=CC(=O)CCC3=C12,0.0
Cc1nc2ccc(S(=O)(=O)NCC[NH2+]CCCc3ccc(C[NH3+])cc3)cc2s1,0.0
COc1ccc(CCOc2ccc3c(c2)c(CC[NH3+])cn3CCCCCc2ccc(SC)cc2)cc1,0.0
C[C@@H](/N=C1/C(=O)C(=O)[C@H]1/N=c1\cc[nH]c(Nc2ccncn2)c1)c1ccccc1,0.0
Cn1c2cc([S@](=O)CCC[NH+]3CCCC3)c(O)cc2c2c3c(c(-c4ccccc4Cl)cc21)C(=O)NC3=O,0.0
Nc1c(C(=O)c2cccc(-c3ccc[n+]([O-])c3)c2)cnn1-c1ccc(F)cc1F,0.0
COc1ccc2c(c1)NC(=O)Cc1cnc(Nc3ccc(OC)c(O)c3)nc1-2,0.0
Cn1c(=O)c(Nc2ccc(C(=O)NCc3ccco3)cc2)nc2ccccc21,0.0
C#CCNC[C@H](O)[C@H](Cc1ccccc1)NC(=O)c1cc2c3c(c1)c(CC)cn3CCS(=O)(=O)O2,0.0
C[C@]12CCc3c(ccc4cc(O)ccc34)[C@@H]1CC[C@H]2O,0.0
Cc1c([N-]S(C)(=O)=O)cccc1N(Cc1ccccc1)Cc1ccc(Oc2ccc(OCC(=O)[O-])cc2)cc1,0.0
Cc1cccc(-c2[nH]c(NCc3cccc(C#N)c3)[nH+]c2-c2ccc3c(c2)OCO3)n1,0.0
O[C@H]1CC[N@H+](CCc2ccc(Oc3nc4ccccc4s3)cc2)CC1,0.0
CC(C)c1n[nH]c2c(=O)[nH]c(C[C@@H]3CCCC[C@H]3Nc3ncc(C(=O)[O-])c(C(F)(F)F)n3)nc12,0.0
O=C(Cn1cc(Nc2nncc3cc(OCCC[N@@H+]4CCC[C@@H]4CO)ccc23)cn1)Nc1cccc(F)c1F,0.0
Nc1ccc2c(c1)Cc1c-2[nH]c(=O)c2nc(C(=O)[O-])cn12,0.0
CC(C)(C)OC(=O)NCCCC[C@H](NC(=O)OCC1c2ccccc2-c2ccccc21)C(=O)[O-],0.0
Cc1cnc(NC(=O)c2c([O-])n3c4c(cc(F)cc24)Cc2cc(F)ccc2-3)s1,0.0
O=C1/C(=C/c2cc(O)c(O)c([N+](=O)[O-])c2)CC/C1=C\c1cc(O)c(O)c([N+](=O)[O-])c1,0.0
[H]/N=C1\NC[C@@H](Cc2ccc(-c3ccccc3)cc2)C(=[NH2+])N1,0.0
C[C@](O)(CSc1ccc(Cl)c(Cl)c1)c1cc2cc(Cl)c(C(F)(F)F)cc2[nH]1,0.0
C[C@@H](c1cc(=O)[nH]c(SC2CCCC2)n1)c1cccc2ccccc12,0.0
O=C(Cc1csc(NC(=O)c2ccc3ccccc3n2)n1)NO,0.0
O=C(Nc1cccc(-c2ncnc3sc(-c4ccncc4)cc23)c1)c1cccc(C(F)(F)F)c1,0.0
O=c1[nH]c2ccccc2n1[C@H]1CC[N@H+](Cc2coc3ccccc23)CC1,0.0
O=C(Nc1cccc(-c2c[nH]c3ncc(-c4ccoc4)cc23)c1)Nc1ccccc1Oc1ccccc1,0.0
O=C(Nc1c[nH]nc1-c1nc2cc(CN3CCOCC3)ccc2[nH]1)NC1CC1,0.0
O=S(=O)(Nc1ccccc1)c1ccc2c(c1)CCN2c1noc(CCCC2CCCC2)n1,0.0
Oc1ccc(-c2noc(C(F)(F)F)c2-c2ccccc2)cc1,0.0
Cc1ccc(C2CCCCC2)n1CC[C@@H]1C[C@@H](O)CC(=O)O1,0.0
O=c1[nH]c(=O)n([C@@H]2C[C@@H](CO)[C@@H](O)C2)cc1I,0.0
Cc1cnc(Nc2ccccc2C(F)(F)F)nc1-c1c[nH]c(C(=O)N[C@H](CO)c2ccccc2)c1,0.0
O=C([O-])COc1ccc(SCc2ccc(OCc3ccc(C(F)(F)F)cc3)cc2)c2c1CCCO2,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cc([C@H](CC(=O)[O-])C(=O)[O-])cc(-c4cccnc4)c3[O-])[nH+]c2c1,0.0
Cc1cc(C)cc(C(=O)Nc2ccc(Cl)c(C(=O)Nc3cncs3)c2)c1,0.0
Nc1[nH][nH+]c2cccc(-c3ccc(NC(=O)Nc4ccsc4)cc3)c12,0.0
NC1=NC(=O)c2c1c1c3ccccc3n3c1c1c2c2ccccc2n1COC3,0.0
CCCCc1cccc(CCC2=C(O)C(=O)C=C([O-])C2=O)c1,0.0
C=CCNC(=O)CCC(=O)Nc1ccc2c(c1)C(=O)C(=O)NC2=O,0.0
O=C([O-])c1ccc(S(=O)(=O)Oc2ccc(-c3ccc(-c4coc5ccccc45)cc3)cc2)cc1O,0.0
CC/C(=C\c1ccc(C)cc1)c1ccc(S(C)(=O)=O)cc1,0.0
CS(=O)(=O)c1cccc(Nc2nccc(Nc3c(Cl)ccc4c3OCO4)n2)c1,0.0
O=C(CCc1ccc2c(ccc3[nH]ncc32)c1)Nc1ccccc1C(=O)[O-],0.0
CSc1sc(C(N)=[NH2+])cc1-c1csc(Nc2cccc3ccccc23)n1,0.0
O=C(CCCCCCC(=O)Nc1cccc(-c2cn(C[C@@H](O)c3cccc(Br)c3)nn2)c1)NO,0.0
O=C([O-])c1cccc(Oc2cccc(N(Cc3c[nH]c[nH+]3)Cc3c[nH]c[nH+]3)c2)c1,0.0
O=C(CCC1=CCCN(CCc2ccccc2)C1=O)NO,0.0
[NH3+]CCCn1ccc2c(-c3ccnc(Nc4cccc(OC(F)(F)C(F)F)c4)n3)cccc21,0.0
Cc1ccccc1CC(C)(C)[NH2+]C[C@@H](O)c1ccc(O)c2c1OCC(=O)N2,0.0
CCCCCc1n[nH]c2ccc(Oc3c(C)cc(NC(=O)C(=O)OCC)cc3C)cc12,0.0
CSc1nc(-c2ccc3ccccc3c2)nn1C(=O)N(C)C,0.0
Nc1[nH+]cccc1NCc1cc(-c2ccc3cc[nH]c3c2)ccc1OCc1ccccc1,0.0
C[C@@H]1C[C@H]([NH2+]CCc2ccccc2)[C@H](O)[C@H](O)[C@H]1O,0.0
CSc1ccc(C(=O)c2cc(F)cc(CC(=O)[O-])c2N)cc1,0.0
CC[C@H](Cc1cc(CNC(=O)c2ccc(C(F)(F)F)cc2)c(OC)cc1F)C(=O)[O-],0.0
O=C([O-])CN1C(=O)[C@@H](NC(=O)[C@@H](S)Cc2ccccc2)CCC[C@@H]1CC1CC1,0.0
Cc1ncc([N+](=O)[O-])n1CCOC(=O)/C=C/c1ccc(-c2ccccc2)cc1,0.0
Cn1c(-c2ccccc2)nnc1[C@]12C[C@H]3C[C@H](C[C@H](C3)C1)C2,0.0
N#C/C(C(=O)C1CC1)=C(/[O-])Nc1ccc(S(=O)(=O)C(F)(F)F)cc1,0.0
COC(=O)[C@H](Cc1cccc(C(N)=[NH2+])c1)[C@@H](C)NC(=O)c1ccc(-c2cccc[n+]2[O-])cc1,0.0
Cc1cc(-n2ccnc2)cc2[nH]c(-c3c(NCCc4ccccn4)cc[nH]c3=O)nc12,0.0
C=C(C)CNc1cccc([C@@H](O)C[NH2+][C@H](C)Cc2c[nH]c3c(OS(C)(=O)=O)cccc23)c1,0.0
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
O=C(Nc1ccccc1Br)c1nc2ccccc2n2cncc12,0.0
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
CCCC[C@H](O[P@](=O)([O-])CCCc1ccccc1)C(=O)N[C@@H](CC1CCCCC1)[C@@H](O)CCSc1ccccn1,0.0
Nc1cc(Oc2ccc(NC(=O)CC(=O)Nc3ccc(F)cc3)cc2F)cc[nH+]1,0.0
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
CN(c1ccc2nc(-c3n[nH]c4ccccc34)[nH]c2c1)[C@H]1CC[N@H+](C)CC1,0.0
O=C(C[NH+]1CCCCC1)Nc1cnc2c(c1)[nH]c(=O)c1ccccc12,0.0
Cc1oc(C)c(S(=O)(=O)Nc2cccs2)c1C(=O)[O-],0.0
C[C@@H]1C[C@@](O)(CC(=O)[O-])c2cc(Cl)c(OCc3ccccc3)cc2O1,0.0
CC(C)CN([C@H](CO)CCCCNC(=O)N(Cc1ccccc1)Cc1ccc(F)cc1)S(=O)(=O)c1ccc(N)cc1,0.0
C#CCCCn1c(Cc2cc(OC)c(OC)c(OC)c2Cl)nc2c(N)nc(F)nc21,0.0
CC(=O)N1CCN(C(=O)/C=C/c2ccc(Sc3ccc4[nH]ccc4c3)c(Cl)c2)CC1,0.0
CCN(CC)C(=O)c1c(NC(=O)c2cccs2)sc2c1C[C@H](C)CC2,0.0
c1ccc(Cn2ccc3ncccc32)cc1,0.0
O=S(=O)(c1ccc2ccccc2c1)c1ccc([O-])nn1,0.0
NS(=O)(=O)c1ccc(-n2cc(CO[C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)nn2)cc1,0.0
CC(C)c1c(O)ccc2cnc(Nc3ccccc3)nc12,0.0
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
CN(Cc1cccc2c1CCCC2)c1ccc2[nH+]c(N)nc(N)c2c1,0.0
O=C1N=C([O-])CCN1N1C(=O)c2ccccc2C1=O,0.0
COc1ccc(CSc2nc([O-])cc(C(F)(F)F)n2)cc1,0.0
Cc1cc(C)c(NC(=O)c2sc(NC(=O)c3ccco3)nc2C)c(C)c1,0.0
C[N@H+]1CC[C@H](CCC[C@@H]2Cc3ccccc3C2=O)CC1,0.0
O=c1[nH]c(Nc2ccccc2)nc2c1ncn2CCCCN1CCCc2ccccc21,0.0
NC(=[NH2+])c1cccc(O[C@H]2N=C(Oc3cccc(C(N)=[NH2+])n3)CNC2=O)c1,0.0
COc1ccc(-n2cc(-c3ccc4c(c3)C(=O)NCCO4)c(N)n2)cc1,0.0
NC(=O)Cc1c(C2CC2)n(Cc2ccccc2)c2ccc(OCCC[P@@](=O)([O-])O)cc12,0.0
C[C@H](C(=O)[O-])N1C(=O)[C@H]2[C@@H]3CC[C@@H](C3)[C@@H]2C1=O,0.0
Cn1c2cccc(C(N)=O)c2c2ncnc(N3CC[NH+](CCc4ccc(F)c(F)c4)CC3)c21,0.0
O=C(NCc1ccccc1OC(F)(F)F)N1CC[C@@H](c2ccncc2)C1,0.0
c1cc(C[N@@H+]2CCCNCC[NH2+]CCCNCC2)ccc1CN1CCC[NH2+]CCNCCCNCC1,0.0
C[C@H](Nc1nccc(-n2cnc3ccccc32)n1)C1CCCCC1,0.0
Cc1cc(N)[nH+]c(CCNC(=O)c2ccc(C#N)cc2)c1,0.0
O=C(CCCCCCNc1ccc2ccccc2c1)c1ncco1,0.0
CCCn1ccc(=O)c2c(N)nc(-c3ccccc3)cc21,0.0
Cc1nc(C(=O)NCc2ccc(OC(C)(C)C(=O)[O-])cc2)c(C)s1,0.0
O=C([O-])CNc1cccc(-c2ccccc2-c2nc(-c3ccccc3)c(-c3ccccc3)[nH]2)c1,0.0
CN(C)C(=O)N1Cc2c(ccc3c2OCC3)[C@@H](c2cccc(O)c2)C1,0.0
CN1C(=O)[C@H](NC(=O)c2cc3cc(F)ccc3[nH]2)Cc2ccccc21,0.0
CS(=O)(=O)c1cccc(F)c1Oc1ccc2ncnc(Nc3cccn[nH+]3)c2c1,0.0
CCCN(CCc1ccccc1)C(=O)[C@@H]1OC(C(=O)[O-])=C[C@H]([NH3+])[C@H]1NC(=O)C1CC1,0.0
Cc1ccc(-c2nn3c(N)nc4ccc(Cl)cc4n3c2=O)cc1,0.0
CCCCC/C=C/C/C=C/C/C=C/C/C=C/CCCC(=O)[O-],0.0
CC1(C)C(=O)C(c2ccc(F)cc2)=C1c1ccc(S(C)(=O)=O)cc1,0.0
NS(=O)(=O)c1ccc(C(=O)NNC(=O)NC2c3ccccc3-c3ccccc32)cc1,0.0
FC(F)(F)c1cccc(-c2noc(-c3sccc3Cl)n2)c1,0.0
C[N@H+]1CC(=O)Nc2ccc(-c3ccc(F)c(Cl)c3)cc2C1(C)C,0.0
C=C[C@@](O)(c1nc2cc(Cl)c(Cl)cc2[nH]1)C(F)(F)F,0.0
O=C(CCc1nnnn1-c1ccccc1)Cc1ccccc1,0.0
COc1cccc(-c2cccc([C@@]3(C)CC(=O)N(C)C(N)=[NH+]3)c2)c1,0.0
O=S(=O)([N-]c1ccc(O)c(-c2c(O)ccc3ccccc23)c1)c1cc(Cl)ccc1Cl,0.0
CC(C)[C@H](C)Nc1cc(-c2[nH]c(=O)[nH]c2-c2ccc(F)cc2)ccn1,0.0
C[C@](Cc1ccc(C(F)(F)P(=O)([O-])[O-])cc1)(c1ccccc1)n1nnc2ccccc21,0.0
Cc1cc(Nc2cc[nH+]c(Nc3cccc(-c4nc5ccccc5s4)c3)n2)n[nH]1,0.0
CS(=O)(=O)[N-]c1ccc(-c2cnc3cccc(Nc4ncccn4)c3c2)cc1,0.0
OCCCNc1cncc(-c2cncc(Nc3cccc(Cl)c3)n2)c1,0.0
N#Cc1c(N)nc(SCC(=O)c2ccccc2)c(C#N)c1-c1ccsc1,0.0
O=C([O-])[C@@H](CCC(=O)N1c2ccccc2C[C@H]1C(=O)[O-])[NH2+]Cc1ccccc1,0.0
NC(=[NH2+])c1ccc2nc(Cc3nc4cc(Cl)ccc4[nH]3)[nH]c2c1,0.0
CC(C)S(=O)(=O)NC[C@H](C)[C@H]1CC[C@H](c2ccc(C#N)cc2)CC1,0.0
CNC(=O)c1ccc(C)c(Nc2ncnc3c2cnn3-c2ccccn2)c1,0.0
CC(C)c1ccccc1Sc1ccc([C@@H]2C[C@@H]2C(=O)NCCCC(=O)[O-])c(Cl)c1Cl,0.0
CS(=O)(=O)c1ccc(CNC(=O)c2cc(N)c(C#N)c(NC3CCCC3)n2)cc1,0.0
O=C1N[C@@H](C(=O)NO)C[C@H]1c1ccc(Oc2ccc(F)cc2)cc1,0.0
CCOCCCNC(=O)c1cc(NC(=O)Nc2cccc(Cl)c2)ccc1N(C)C,0.0
COc1cc2c(cc1Nc1nc(Nc3ccoc3C(N)=O)c3cc[nH]c3n1)N(C(=O)C[NH+](C)C)CCC2,0.0
C[C@@H]1CCCN(C(=O)c2cc(N)c3nc(-c4ccc(Br)o4)nn3c2)C1,0.0
c1ccc(-c2ccc(COc3ccc4c(c3)CC[C@@H](CC[NH+]3CCCCC3)C4)cc2)cc1,0.0
CC(=O)O[C@@H](C(=O)Nc1cccc2c1C(=O)C(=O)NC2=O)c1ccccc1,0.0
Oc1ccc(-c2cc(-c3cccc(O)c3)cs2)cc1,0.0
c1ccc(-c2n[nH]c3c2oc2ccccc23)cc1,0.0
O=C(NO)[C@H](NCc1cccc(C(F)(F)F)c1)c1ccc(F)c(F)c1,0.0
O=C(c1cccc(-c2ccccc2-c2ccccc2)n1)N1CCC[C@H]2CCCC[C@@H]21,0.0
O=C([C@@H]1C[NH2+][C@H](C(=O)N2CCSC2)C1)N1Cc2ccccc2C1,0.0
O[C@@H](CCC[N@@H+]1CCc2c(c3cc(F)ccc3n2-c2ccc(F)cc2)C1)c1ccc(F)cc1,0.0
Oc1ccc(-c2cc3cc(O)cc(Br)c3o2)cc1,0.0
OC[C@@]12CC=C[C@@H](C1)[C@H](c1ccc(O)cc1)CC2,0.0
CS(=O)(=O)N[C@H](CCCNC(N)=[NH2+])C(=O)NCC(=O)N[C@@H](CCCNC(N)=[NH2+])C(=O)c1nccs1,0.0
O=C([O-])c1cc(=O)c2c(Cl)cc(Cl)cc2[nH]1,0.0
O=C(Nc1ccc(O)c(O)c1)c1ccc2ccc(C(=O)[O-])c(O)c2n1,0.0
O=C(Nc1ncc(F)s1)[C@@H](CC1CCOCC1)c1ccc(S(=O)(=O)C2CC2)cc1,0.0
Oc1cc(Cl)ccc1Oc1ccc(Cl)cc1Cl,0.0
CNC(=O)[C@@H](NC(=O)c1ccc(-c2ccc(OC)cc2)o1)C1CCCCC1,0.0
N/C(=N\c1ccc2nc(N)sc2c1)c1cccs1,0.0
C[NH+](C)[C@@H]1CCCC[C@@H]1Oc1ccc(-c2cccc(N)[nH+]2)c2ccccc12,0.0
CC[C@@H](CCC1CCCCC1)O[C@@H]1C=C(C(=O)[O-])C[C@H]([NH3+])[C@H]1NC(C)=O,0.0
Cc1cccnc1C#Cc1ccc(S(N)(=O)=O)cc1,0.0
CC(C)(O)c1cc(-c2cccc(Cl)c2)ccc1N,0.0
COC(=O)c1c(O)cccc1OC/C=C/c1cccc(-c2onc(C(=O)[O-])c2CO)c1,0.0
O=C1Nc2ccccc2/C1=C1/Nc2ccccc2/C1=N\O,0.0
CC(=O)N1CC[C@H]1C(=O)N[C@@H](CCC[NH+]=C(N)N)C(=O)c1nc2ccccc2s1,0.0
[NH3+][C@H](Cc1ccccc1)C(=O)N1CCC[C@H]1CC(=O)NCc1cc(Cl)ccc1-n1cnnn1,0.0
O=C[C@H](CC(=O)[O-])NC(=O)c1ccc(CNS(=O)(=O)c2cccc(-c3noc(=O)[nH]3)c2)nc1,0.0
C[C@@H](Nc1cc2c(-c3cc(Cl)cc(CCC(N)=O)c3)noc2cn1)c1ccccc1,0.0
NC(=[NH2+])c1ccc(O)c(CN2CC[C@@H](NS(=O)(=O)c3cc4ncccc4s3)C2=O)c1,0.0
O=C(NC1CC1)c1ccc(F)c(CCc2cnc(Nc3ccccn3)s2)c1,0.0
[NH3+]C[C@H]1CC[C@H](CNc2nc(NCc3ccccc3Cl)ncc2[N+](=O)[O-])CC1,0.0
COc1cc2nccc(Oc3ccc(NC(=O)Cc4ccccc4)nc3)c2cc1OC,0.0
Nc1ncc(-c2cnn(C3CCOCC3)c2)cc1-c1nc2ccccc2o1,0.0
CCCc1cc(C2CCCC2)ccc1OCCCOc1cccc([C@H]2OC(=O)NC2=O)c1,0.0
Cc1cc(COc2ccc(C(=O)NC(C)(C)Cc3nnc([S-])[nH]3)cc2)c2ccccc2n1,0.0
O=C(NO)c1ccc(-c2ccn(CC[NH2+]Cc3ccc4c(c3)OCO4)n2)s1,0.0
O=C(OCCCc1cccnc1)[C@H]1CCCN1S(=O)(=O)Cc1ccccc1,0.0
O=C([C@@H](O)C1CC1)N1CC(c2cc(F)ccc2F)=C[C@H]1c1cccc(O)c1,0.0
NC(=O)c1cccc2nc(-c3ccc(-c4nnc([O-])o4)cc3)[nH]c12,0.0
CCO[C@H](Cc1ccc(OCCC2c3ccccc3Oc3ccccc32)cc1)C(=O)[O-],0.0
O=C(NO)[C@H]1CCCC[C@@H]1C(=O)Nc1ccc(COc2cc[nH+]c3ccccc23)cc1,0.0
N[C@@H](C(=O)N1CCN(c2ccc3[nH]ncc3c2)CC1)c1cccc(Cl)c1,0.0
Cc1c(CNc2ccc3ncccc3c2)cnc2[nH+]c(N)nc(N)c12,0.0
C[NH+]1CCN(c2ccc(Nc3ncc4ccc(=O)n(C5CCCCC5)c4n3)cc2)CC1,0.0
O=C(CN(Cc1ccc([N+](=O)[O-])cc1)C(=O)Nc1cccc2ccccc12)NO,0.0
O=C(/C=C/c1ccc(CNCCc2coc3ccccc23)cc1)NO,0.0
CN(Cc1c2ccccc2cc2ccccc12)C(=O)[C@@H]1CC(=O)N([C@@H]2C[C@@H]3CC[C@H]2C3)C1,0.0
Cc1sc2nc(N)[nH]c(=O)c2c1Sc1ccc2ccccc2c1,0.0
c1ccc(C[NH2+]CCOc2cccc3[nH]ncc23)cc1,0.0
O=c1[nH]c2ccc(-c3cccc([N+](=O)[O-])c3)cc2s1,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3ccc4c(c3)CC[NH2+]C4)ccc2c1,0.0
Cc1nc(C)c(-c2ccc3[nH]nc(N)c3c2)s1,0.0
Cn1c2c(c3cc(O)ccc31)CCCCC2,0.0
O=C1O[C@H]2CCC[C@@H]2[C@@H]1Cc1ccccc1,0.0
CCCOc1ccc(C(N)=O)cc1-c1nc2cc3ncn(Cc4ccc(F)cc4)c3cc2c(=O)[nH]1,0.0
Oc1ccc2c(c1)C[C-]1Oc3cc(O)ccc3N=C21,0.0
Cn1c(=O)cc(-c2cccc(Cl)c2)c2cc(Cn3cncc3Cn3ccc(C#N)c3)ccc21,0.0
O=C(NO)[C@H]1C[C@@H](O)CCN1S(=O)(=O)c1ccc(OCc2ccccc2-c2ccccc2)cc1,0.0
Cc1ccc(S(=O)(=O)[N-]c2ccnn2-c2ccccc2)cc1,0.0
Cc1ccn2ncnc(Nc3ccc4c(cnn4Cc4ccccn4)c3)c12,0.0
O=C(Cc1cccc2ccccc12)N1CCC(C[NH2+]CCCC[NH2+]CCCn2cc[nH+]c2)CC1,0.0
O=C([O-])[C@@H]1Cc2cccc3c2N1C(=O)[C@@H](NC(=O)C1(S)CCCC1)CC3,0.0
Cc1oncc1CNC(=O)c1ccc2cc(-c3n[nH]cc3-c3ccccc3)[nH]c2c1,0.0
Nc1ncc(Cc2cccc(OCc3ccccc3)c2)c(N)n1,0.0
CO[C@@H](C(=O)[O-])c1cccc(OCc2ccccc2Cl)c1OCc1ccccc1Cl,0.0
Cc1ccc(O)cc1Nc1nccc(-c2noc3ccccc23)n1,0.0
CN(Cc1cc(Cl)ccc1C#N)[C@H]1CC[N@H+](CC2CC2)CC1,0.0
O=C(Nc1n[nH]c2nc(-c3ccc(O)c(Br)c3)ccc12)C1CC1,0.0
[NH3+]Cc1ccc(-c2ccccc2)o1,0.0
O=S(=O)(c1ccc(Sc2ccccc2)cc1)[C@@H]1CCC[C@@H](S)C1,0.0
CC(C)C[N@H+]1CC[C@H](Nc2cccc3cnccc23)CC1,0.0
CC(C)(C)n1nc(Cc2cccc3ccccc23)c2c(N)ncnc21,0.0
C[C@H]([NH3+])C(=O)Nc1nc(-c2ccc(Br)cc2)c(-c2ccccc2)s1,0.0
O=C(N[C@@H](Cc1cc(F)cc(F)c1)[C@H](O)[C@H]1C[C@@H](OCc2ccccc2)C[NH2+]1)[C@H]1CC(=O)N(CC2CC2)C1,0.0
CC1(C)CNc2cc(NC(=O)c3cccnc3NCc3ccncc3)ccc21,0.0
O=C(CS(=O)(=O)c1ccccc1)c1ccc(-c2ccccc2)s1,0.0
Cc1cc(NCc2c[nH+]c(C)n2Cc2ccc(C#N)cc2)ccc1S(=O)(=O)c1ccccc1,0.0
Fc1ccc(-c2[nH]c(-c3ccc(-n4ccnc4)cc3)c3c2CCCC3)cc1,0.0
Fc1ccc(-c2cncc(C[NH2+]C[C@H]3CCc4ccccc4O3)c2)cc1,0.0
O=C(Nc1ccc(Oc2ccnc3[nH]ccc23)c(F)c1)c1cccn(-c2ccccn2)c1=O,0.0
C[NH+](C)CCc1ccc(Nc2ncc(Cl)c(-c3ccc4cc[nH]c4c3)n2)cc1,0.0
COc1cc2c(cc1OC)-c1n[nH]c(Nc3cccc(F)c3)c1C2,0.0
O=C([O-])C(=O)CC(=O)c1cn(Cc2ccccc2)c(=O)[nH]c1=O,0.0
CCc1ccc(CCOc2ccc(C[C@H]3SC(=O)NC3=O)cc2)nc1,0.0
Cc1oc2ccccc2c1C(=O)c1cc(I)c(OCC(=O)[O-])c(I)c1,0.0
NC(=O)c1ccccc1OCc1cccc(C(=O)N2CC[NH2+]CC2)c1,0.0
CC(C)=C(c1ccncc1)c1ccc(-c2ccc(O)c(O)c2)cc1,0.0
O=C(N1CCc2cc(O)ccc2C1)C(F)(F)F,0.0
N#Cc1cc(-c2ccc(O)cc2F)cc2ccc(O)cc12,0.0
O=C(/C=C/[C@H]1CC[C@H](c2ccc(O)cc2)CC1)NO,0.0
O=C([O-])C[C@H](O)C[C@H](O)/C=C/c1c2c(nn1-c1ccc(F)cc1)[C@H](CCCc1ccccc1)CCC2,0.0
CC(C)C[C@@H](C=O)NC(=O)[C@H](Cc1c[nH]c[nH+]1)NC(=O)[C@H](Cc1ccccc1)NC(=O)OCc1ccccc1,0.0
C[C@@]1(Cc2ccccc2)C(=O)N(c2cc(Cl)cc(Cl)c2)c2ccccc21,0.0
Cc1cc(Nc2nc(-c3ccccc3)nc3ccccc23)[nH]n1,0.0
CC(C)c1noc(CC(C)(C)CC(=O)N[C@H]2[C@@H]3C[C@H]4C[C@@H](C3)C[C@@H]2C4)n1,0.0
O=C(NCCCN1CCOCC1)c1cccc(-c2[nH]nc3cc(Nc4ccccc4Cl)ccc23)c1,0.0
O=C([C@H](O)CS(=O)(=O)c1ccc2cc(Cl)ccc2c1)N1CCC(N2CCCNC2=O)CC1,0.0
O[C@](c1ccnc(Cl)c1)(c1ccc2c(cnn2-c2ccc(F)cc2)c1)C(F)(F)F,0.0
Cc1ccc2c(C(=O)[O-])cc(-c3ccc(S(C)(=O)=O)cc3)nc2c1C,0.0
CCn1c2ccccc2c2cc(/C=N\OCCO/N=C/c3ccc(O)c(O)c3)ccc21,0.0
Oc1ccc2c(-c3nc4ccc(O)cc4o3)cccc2c1,0.0
COc1cnc2c(NCc3nnc4ccc(-c5cc(F)cc(F)c5)nn34)ccnc2c1,0.0
CCCCc1sc2ccccc2c1-c1ccc(-c2ccc(O[C@@H](C(=O)[O-])c3ccccc3)cc2)cc1,0.0
COc1ccc(C2=[NH+][C@H](C)C(C(=O)Nc3ccc4[nH]ncc4c3)=C(C)N2)cc1,0.0
CNC(=O)Nc1cn2ncc(C#N)c(Nc3ccc(Oc4ccccc4)cc3)c2c1C,0.0
NS(=O)(=O)c1nnc(NC(=O)[C@]23C[C@H]4C[C@H](C[C@H](C4)C2)C3)s1,0.0
O=C(Cc1ccccc1)c1ccc(O)c(O)c1[N+](=O)[O-],0.0
[NH3+][C@H]1CN(CCc2ccc3c(c2)OCO3)C(=O)C[C@@H]1c1cc(F)c(F)cc1F,0.0
COc1ccc(-n2nc(C(F)(F)F)cc2C(=O)Cc2ccc(-n3ccccc3=O)cc2F)cc1,0.0
Cc1ccc(C(=O)NCCC2CCCCC2)cc1C(=O)Nc1ccc(N)nc1,0.0
CCCCCCCCCCCCCC(=O)OC[C@H](CO)OC(C)=O,0.0
Cc1cc(CCc2ccc(F)cc2)cc(C)c1O,0.0
COc1ccc2c(Cc3ccc(C)cc3)ccc([C@H](C)C(=O)[O-])c2c1,0.0
COC(=O)c1ccc(C(=O)Nc2ccc3c(c2)C(C)(C)CC(C)(C)S3)cc1,0.0
C[NH+](C)CC(=O)NCc1c(C[N@H+](C)[C@H]2CCCc3cccnc32)ncc2ccccc12,0.0
CCCCCc1c2c(cc(O)c1C(=O)[O-])OC(=O)c1c(cc(OC)cc1C(=O)CCCC)O2,0.0
Nc1ncnc2c1ncn2[C@H]1O[C@H](/C=N/OCc2ccccc2)[C@@H](O)[C@H]1O,0.0
O=C(N[C@@H]1CCOC[C@@H]1C(=O)NO)c1ccc(Cc2cc(C3CC3)nc3ccccc23)cc1,0.0
CCCCC[C@H](NC(=O)NO)C(=O)N[C@@H](C(=O)N1CCC[C@H]1CO)C(C)C,0.0
O=P([O-])([O-])[C@H](Cn1cnc2c(Cl)ncnc21)[P@@](=O)([O-])O,0.0
NS(=O)(=O)c1ccc(/N=C/c2ccc(O)c(C(=O)[O-])c2)cc1,0.0
Nc1[nH+]c(NCCc2ccc(O)cc2)nc2nc(-c3ccco3)nn12,0.0
c1ccc(-c2n[nH]cc2-c2ccnc(-c3ccc(C[NH2+]C4CCOCC4)cc3)c2)nc1,0.0
c1ccc(NCc2ccc(CNc3cccc[nH+]3)cc2)nc1,0.0
CCn1c(=O)c2c(c3cc(-c4cc(/C=C/C(=O)[O-])ccc4OC(F)(F)F)ccc31)CCC2,0.0
CCCCCCc1ccc(Oc2ccccc2CN2CC[NH+](C)CC2)c(O)c1,0.0
CC(=O)N[C@@H](CC(C)C)[C@@H]1O[C@@H](C(=O)[O-])C[C@H]1c1c[nH+]c[nH]1,0.0
O=C(CCn1nnnc1-c1ccc2c(c1)OCO2)c1ccccc1,0.0
COC(=O)[C@]1(c2cccc(OCCc3ccc4ccccc4c3)c2)C[C@H]1C(=O)NO,0.0
C#Cc1cc(O[C@H]2CCOC2)cc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)[O-])c1,0.0
[NH3+][C@H]1CC[C@H](CNC(=O)[C@@H]2CCCN2C(=O)C[C@@H](c2ccccc2)C2CCCCC2)CC1,0.0
NC(=O)N1Cc2n[nH]c(NC(=O)Cc3ccccc3)c2C1,0.0
Fc1ccc(-c2ncoc2-c2ccc3nnc(Cc4ccccc4)n3c2)cc1,0.0
COc1ccc2c(c1)CCC(c1ccc(OC)c(OC)c1)=C2,0.0
Nc1nc2[nH]c(Cc3ccco3)nc2c(=O)[nH]1,0.0
CC[NH+](CC)c1cccc(COc2c(Br)cc(CCC(=O)[O-])cc2Br)c1,0.0
COc1ccc(CCCO[C@H](Cn2cc[nH+]c2)c2ccc(OC)cc2)cc1,0.0
COC(=O)c1[nH]c(C(C)(C)C)cc1NC(=O)Nc1cccc(Cl)c1Cl,0.0
c1ccc2c(NCC3CCCCC3)nc(-n3ccnc3)nc2c1,0.0
C(=C/c1ccc(Cc2ccccc2)cc1)\C[NH+]1CCCC1,0.0
C[C@@H](NC(=O)CNC(=O)Nc1ccc(C(N)=[NH2+])cc1)c1ccc(C(F)(F)F)cc1C(F)(F)F,0.0
O=c1[nH]c(Nc2cccc([C@@H](Cl)C(F)(F)Cl)c2)nc2[nH]cnc12,0.0
CCC[C@@H]1CCCCC/C(N)=[NH+]\1,0.0
Oc1ccc2[nH]cc(CCCC[N@@H+]3CC=C(c4ccccc4)CC3)c2c1,0.0
O=C(NCc1c(F)cccc1F)c1cc(C(=O)c2ccccc2F)c[nH]1,0.0
CCn1cc(-c2ccnc3[nH]ccc23)c(-c2cccc(NC(=S)Nc3ccccc3)c2)n1,0.0
N#Cc1ccc(N2C(=O)[C@@H]3[C@H](O)CCN3C2=O)cc1-c1ccccc1,0.0
COc1ccccc1C1CCN(c2[nH]c(=O)[nH]c(=O)c2Cc2ccccc2)CC1,0.0
CN(c1nccc(-c2cnc3ccccn23)n1)C1CCCCC1,0.0
C[C@H](CO)N/C(N)=C1\C([O-])=NS\C1=N/c1ccc(Nc2ccccc2)cc1,0.0
COc1ccc(-c2ccc3c(c2)NC(=O)/C3=C\c2[nH]c3c(c2CCC(=O)[O-])CCCC3)cc1,0.0
O=C1CN(Cc2ccc(C(=O)NO)cc2)c2ccccc2N1,0.0
NC(=O)c1cn([C@@H](CO)CCn2ccc3ccc(NC(=O)CCCCCc4ccccc4)cc32)cn1,0.0
CC[N@H+](Cc1ccccc1)Cc1ccc(-c2cc3cc(OCCNC(=O)CCc4ccc(F)c(F)c4)ccc3oc2=O)cc1,0.0
c1ccc(-c2sc(-c3ccccc3)c3ccccc23)cc1,0.0
Cc1cc(Nc2nccc(-n3ccnc3-c3ccccc3)n2)cc(C(F)(F)F)c1,0.0
CC(=O)Nc1sccc1C(=O)[O-],0.0
Oc1ccc(-c2coc3cc(O)cc(O)c3c2=S)cc1,0.0
O=S(=O)(/C=C/c1ccccc1)Oc1cccc(Oc2ccccc2)c1,0.0
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=C(Nc1ccc(-c2ccco2)cc1C(=O)[O-])c1ccc(Cl)cc1Cl,0.0
CC1(C)CCC(C)(C)c2cc(Cc3coc(/C=C/C(=O)[O-])c3)ccc21,0.0
Oc1ccc(Nc2[nH]nc3ncnc(Nc4cccc(Cl)c4)c23)cc1,0.0
CCn1c(=O)c(-c2c(Cl)cccc2Cl)cc2cnc(Nc3cc[nH+]cc3)nc21,0.0
CC[NH+](CC)CCCOc1ccc(Nc2nccc(-c3ccc(C(=O)NCC#N)cc3)n2)cc1,0.0
Cc1ccccc1CC(=O)Nc1cc(C)c(S(=O)(=O)NCC(=O)[O-])c(C)c1,0.0
NS(=O)(=O)c1ccc([N-]S(=O)(=O)c2c(F)c(F)cc(F)c2F)c(F)c1,0.0
NS(=O)(=O)c1ccc(CCNCc2cc(=O)oc3cc(Cl)ccc23)cc1,0.0
O=C(CCc1ccc(Cl)c(Cl)c1)CC(=O)C(=O)[O-],0.0
O=C(NCCc1c(F)cccc1F)Nc1ccc(Cl)cn1,0.0
COc1c(C)cnc(Cn2cnc3c(Cl)nc(N)nc32)c1C,0.0
CCCCCCCCCCCC(=O)Oc1ccc2c(c1)[C@](C)(C(C)C)[C@H]1C(=O)N[C@H](CO)[C@@H]21,0.0
O=C1CCNC(=O)c2[nH]c(Br)cc21,0.0
O=C1C=CC(=O)c2ccccc21,0.0
O=c1[nH]c2cc(C[NH2+]Cc3ccccc3)ccc2n2cccc12,0.0
O=c1[nH]c2c(c3ccccc13)Cc1cc(S(=O)(=O)NCCCn3ccnc3)ccc1-2,0.0
CN(Cc1ccc(S(=O)(=O)N2CC[NH2+]CC2)cc1)c1ccc2c3c(cccc13)C(=O)N2,0.0
CCCCNC(=O)[C@H](C)C[C@H](O)[C@H](Cc1ccccc1)NC(=O)[C@@H]1CCC[C@H]([C@@H](NC(C)=O)C(C)C)C1,0.0
CSCC[C@H](NC(=O)c1cccc(CN(CCc2ccccc2)Cc2c[nH]cn2)c1)C(=O)[O-],0.0
O=C([O-])CN1C(=O)[C@H](O[P@](=O)([O-])CCCCc2ccccc2)CCc2ccccc21,0.0
COc1cc(OC)cc(-c2cc3cnc(N)nc3n(C)c2=O)c1,0.0
Fc1ccc(Cl)cc1-c1nc(Nc2ccncc2)c2nccnc2n1,0.0
COc1cc2c(cc1Cl)C(c1ccc(Cl)c(Cl)c1)=[NH+]CC2,0.0
Nc1cc(F)ccc1Nc1ccc2c(c1)OCc1ccccc1C2=O,0.0
Cc1cccc(-c2n[nH]cc2-c2ccc3ncccc3n2)n1,0.0
[NH3+][C@@H](CC(C(=O)[O-])=C1CCC1)C(=O)[O-],0.0
Cc1ccc(OCCOc2cccc(/C=C3/C(=O)NC(=O)N=C3[O-])c2)cc1,0.0
OC[C@H]1O[C@H](n2cnc3c(NO)ccnc32)C[C@H]1O,0.0
COC(=O)C[C@H]1Nc2ccccc2-c2ccnc3[nH]cc1c23,0.0
COc1cccc(-c2cnc(Nc3c(C)cccc3C)c3cncn23)c1,0.0
CC(C)c1ccccc1Sc1ccc(/C=C/C(=O)N2CCO[C@@H](c3nnn[n-]3)C2)cc1[N+](=O)[O-],0.0
O=C(NCc1cccc2ccccc12)c1cc(-c2ccncc2)nc2ccccc12,0.0
CC(C)Nc1ccc(-c2cccc(N)c2)c(CC(=O)NCc2ccc(C(N)=[NH2+])cc2)c1F,0.0
COc1ccc(-c2cnc3c(-c4ccncc4)cnn3c2)cc1,0.0
O=S(=O)(c1cccc2ccccc12)N1CCN(c2ncccc2C(F)(F)F)CC1,0.0
Cc1csc(NC(=O)c2cc(Oc3ccccc3)cc(Oc3ccccc3S(C)(=O)=O)c2)n1,0.0
O=C([O-])CC[N@H+]1CCC[C@@H]1COc1ccc(Oc2ccc(Cl)cc2)cc1,0.0
COc1ccc2cc(O)c(N3CC(=O)NS3(=O)=O)cc2c1,0.0
CCc1cccc(NC(=O)Nc2ccc(-c3noc4ncnc(N)c34)cc2)c1,0.0
O=C1NC(=O)c2c1ccc1c2c2cc(O)ccc2n1CCCC(=O)N1CCOCC1,0.0
O=C([O-])Cc1cc(=O)oc2c1ccc1ccccc12,0.0
Nc1nc(N)c2nc(CSc3ccc4ccccc4c3)ccc2[nH+]1,0.0
O=C([O-])C(=O)/C=C(\O)c1ccc2ncc(C(=O)CC(=O)C(=O)[O-])c([O-])c2c1,0.0
COc1ccc(C(SC[C@H]([NH3+])C(=O)[O-])(c2ccccc2)c2ccccc2)cc1,0.0
[NH3+][C@@H](CCC(=O)Nc1ccc(Oc2ccccc2)cc1)Cn1cccc1,0.0
Cc1cccc(-c2ccc3c(c2)C(C)(C)C/C3=N\O)c1,0.0
COc1cc(CCC(=O)NNc2c3c(nc4ccccc24)CCCC3)cc(OC)c1OC,0.0
CNC(=O)[C@H](Cc1ccc2ccccc2c1)N1CCC(=O)N(c2ccc3ncccc3c2)[C@@H](CC(C)C)C1=O,0.0
COc1cc(N2C(=O)[C@@H]3[C@H](C2=O)[C@@]2(C)CC[C@]3(C)O2)ccc1-c1cnco1,0.0
FC(F)(F)c1ccccc1OC1CCN(c2ccc(-n3ccnc3)nn2)CC1,0.0
CCCCCCCCC[C@H]1[NH2+]C[C@@H](O)[C@H](O)[C@H]1O,0.0
NC(=O)Nc1sc(-c2ccc(F)cc2)cc1C(N)=O,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
Cc1ccc(NNC(=O)c2ccc(Cl)cc2)cc1,0.0
CCCc1c(OCCCOc2cccc3c2ccn3CC(=O)[O-])ccc2cc[nH]c12,0.0
O=C1C([O-])=C(Cc2ccc(OCc3ccccc3F)cc2)C(=O)c2ccccc21,0.0
COC(=O)CCc1ccc2c(c1)C(c1ccccc1)=CC(=O)C2=O,0.0
O=CN(O)C[C@@H](Cc1ccccc1)C(=O)N1CCC[C@H]1c1nc2ccccc2o1,0.0
[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
O=C(NC(=S)Nc1ccc(O)c(-c2nc3ccccc3s2)c1)c1ccc([N+](=O)[O-])cc1,0.0
CCc1cc(CCc2ncc(-c3ccccc3)o2)c(=O)[nH]c1C,0.0
NS(=O)(=O)c1ccc2c(c1)C[C@@H](NC(=O)C1CCCCC1)C2,0.0
O=C([O-])c1nc2c(=O)[nH]c3cc([N+](=O)[O-])ccc3n2n1,0.0
c1ccc(CNc2ccc(OC[C@@H]3CCC[NH2+]3)cc2)cc1,0.0
Cc1cc(/C=C/c2csc3ccccc23)cc(C)c1O,0.0
Nc1nc2nc(NCc3ccsc3)[nH]c2c(=O)[nH]1,0.0
CC[NH+](CC)CCNC(=O)c1c(C)[nH]c(/C=C2\C(=O)Nc3ccc(F)cc32)c1C,0.0
NC(=[NH2+])c1ccc2ccc(CN(CCC[n+]3cc[nH]c3)C(=O)c3cccc4ccccc34)cc2c1,0.0
CCOc1cc(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]Cc2cccc(C(F)(F)F)c2)cc(C2=C(C)CCC2=O)c1,0.0
O=c1[nH]c2cc([N+](=O)[O-])c([N+](=O)[O-])cc2cc1-c1nnn[n-]1,0.0
Nc1nccc(-c2cc3c([nH]2)[C@@H](CCF)CNC3=O)n1,0.0
CCNC(=O)Nc1ccccc1Nc1ccc(C(=O)c2ccccc2C)c(Cl)c1,0.0
Clc1ccc2nc(-c3cccnc3)nc(NCc3ccco3)c2c1,0.0
c1ccc(C2(c3ccc(-c4cn[nH]c4)cc3)CC[NH2+]CC2)cc1,0.0
CCSc1nsc(NC(=O)Nc2cccc(C(C)=O)c2)n1,0.0
O=C(C[C@@H](c1ccccc1)S(=O)(=O)c1ccccc1)NO,0.0
[NH3+][C@H](C(=O)N1CCCC1)[C@@H]1CC[C@@H](NC(=O)Nc2cccc3ccccc23)C1,0.0
C1=[N+](CCc2c[nH]c3ncccc23)CC[C@@H](c2ccccc2)C1,0.0
O=C(COc1ccc(SCCCCc2ccccc2)cc1)COc1ccc(C(=O)[O-])cc1,0.0
CCCCCCOc1cc(Cl)c(C(=O)CC[NH+](C)C)c(Cl)c1,0.0
O=C1NCc2cccc(-c3cc4cc(OCCC[N@H+]5CC[C@H](O)CC5)ccc4[nH]3)c21,0.0
O=C1C(Cl)=C(N2C(=O)CCC2=O)C(=O)c2ccccc21,0.0
CC1(C)OC(=S)Nc2ccc(-c3ccc(C#N)o3)cc21,0.0
Cc1ccnc(CNC(=O)Cn2c(C)cnc(NCC(F)(F)c3ccccc3)c2=O)c1F,0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)OCCCC1CCCCC1)C1CCCCC1,0.0
CCc1cc(NCc2ccc3ccccc3c2)c(S)nc1C,0.0
NC(=O)c1cccc2c1C(=O)N(c1ccc(C3CC[NH2+]CC3)cc1)C2,0.0
Nc1nc(-c2cc[nH]n2)c2cnn(Cc3ccccc3F)c2n1,0.0
Cc1ccccc1NC(=O)Oc1ccc2c(c1)[C@@]1(C)CO[C@H](C1)O2,0.0
NC(=[NH2+])c1ccc(CC(=O)C(=O)[O-])c(OCCNC(=O)c2ccc(C(=O)N3CCCC3)cc2)c1,0.0
C[C@]12Cn3c[nH+]c(-c4ccc(F)cc4)c3C=C1CCC[C@@H]2[C@](C)(O)C1CC1,0.0
O=C(Nc1ccc(OCCN2CCOCC2)cc1)Nc1ccc(Cl)c(C(F)(F)F)c1,0.0
CC(=O)Nc1ccc(Oc2cccc(CC[NH2+]C[C@H](O)c3cccnc3)c2)cc1C(=O)[O-],0.0
N#C/C(=C\c1ccc(O)c(O)c1)C(=O)c1ccc(O)c(O)c1,0.0
Oc1ccc(C2=COc3cc(O)ccc3C2)cc1,0.0
Cc1c2cc(O)c(=O)cc-2oc2cc(O)c(O)cc12,0.0
O=C(C[C@@H]1C=Cc2ccccc2NC1=O)NO,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
[NH2+]=C1Nc2cc(CCC[NH2+]Cc3cccc(Cl)c3)ccc2[C@H]2CCC[C@@H]12,0.0
COc1ccc2[nH]c(-c3ccc(S(C)(=O)=O)cc3)cc2c1,0.0
O=C([O-])c1cn(C[C@H]2CC[C@H]3C[NH2+][C@H](C(=O)[O-])C[C@H]3C2)cn1,0.0
CC(=O)Nc1oc(-c2cc3ccccc3cc2O)nc1-c1ccccc1,0.0
C[N+]1(CC(=O)Nc2ccc3c(c2)C(=O)c2cccc4ccnc-3c24)CCCC1,0.0
CN1C(=O)CC[C@H]1C(=O)NCc1cccc(C(F)(F)F)c1Cl,0.0
CC1=CC(C)(C)Nc2ccc(-c3ccc([N+](=O)[O-])s3)cc21,0.0
COc1ccccc1C(=O)/C=C/c1cc(/C=C/C(=O)NO)n(C)c1,0.0
Nc1ncnc2c1ncn2Cc1cc(OCC2CCCCC2)cc(O)c1O,0.0
Cc1cn(C)c(-c2cccc(Oc3cc(C(=O)[O-])cc(Oc4cc(C(N)=[NH2+])ccc4O)n3)c2)[nH+]1,0.0
CC(C)S(=O)(=O)N[C@@H]1Cc2ccc(-c3cccc(CN4CCCS4(=O)=O)c3)cc2C1,0.0
O=c1oc(C(CC2CC2)CC2CC2)cc(O)c1[C@@H](c1cccc([N-]S(=O)(=O)c2cccc[nH+]2)c1)C1CC1,0.0
C[C@](O)(CBr)C(=O)Nc1ccc([N+](=O)[O-])c(C(F)(F)F)c1,0.0
O=c1cc(C(F)(F)F)c2c(ccc3c2oc(=O)c2cccc(O)c23)[nH]1,0.0
N#Cc1cnc(N2CC[C@@H]3CCCC[C@@H]3C2)cc1C(F)(F)F,0.0
O=C1C(=O)N(Cc2ccccc2)c2ccc(S(=O)(=O)N3CCC3)cc21,0.0
Cc1ccsc1C(=O)n1nc(Nc2ccc(S(N)(=O)=O)cc2)nc1N,0.0
CCCCNc1[nH+]ccc2[nH]c3ccccc3c12,0.0
Oc1ccc(-c2nn(C3CCCC3)c3c(F)cccc23)cc1,0.0
COC(=O)CN(CCOc1ccc(-c2ccccc2S(N)(=O)=O)cc1)c1cccc(C(N)=[NH2+])c1,0.0
Oc1ccc(CC2=Cc3ccc(O)c(O)c3OC2)cc1O,0.0
CC(=O)C1=NN(c2cc(C)ccc2F)C[C@@]1(CCC[NH+](C)C)c1ccccc1,0.0
Nc1ccc(NC(=O)c2ccc(C(F)(F)F)cc2)nc1,0.0
CC(C)(C)c1cc(/C=C2\CCN(c3cccnc3)S2(=O)=O)cc(C(C)(C)C)c1O,0.0
c1ccc2c(c1)Nc1ccccc1O2,0.0
CC(C)[C@@]1(C(=O)[O-])Cc2cc(OCCOc3ccc(OC(F)(F)F)cc3Cl)ccc2O1,0.0
C[C@H](Cc1c[nH]c2ccccc12)NS(=O)(=O)c1c(Cl)cccc1Cl,0.0
O=C([O-])c1c([O-])c(-c2ccc(Oc3ccccc3)cc2)[nH+]c2ccccc12,0.0
Cc1c(-c2ccc(-c3ccccc3F)cc2)nc2ncccc2c1C(=O)[O-],0.0
CC(C)[C@@H]1C(=O)c2ccc(O)cc2O[C@@H]1c1ccc(OCC[NH+]2CCCCC2)cc1,0.0
O=C(NCCc1ccccc1)c1ccc2c(c1)[nH]c(=O)c1cc(F)ccc12,0.0
Nc1onc(-c2ccc(Cl)cc2)c1C(=O)[O-],0.0
Cc1ccc(Sc2cccc3[nH]c4nc(N)nc(N)c4c23)cc1,0.0
O=C(c1cc2cc(O)ccc2[nH]1)c1cc2cc(O)ccc2[nH]1,0.0
O=C1NCc2c3c(c4[nH]c5ccccc5c4c21)CCc1ccccc1-3,0.0
CC(=O)N1CCC[C@@H]1c1cc2[nH]c(-c3ccccn3)nc2cc1Oc1cccc(F)c1,0.0
O=C(/C=C/c1ccccc1Sc1ccc(Cl)cc1Cl)NCCCn1cc[nH+]c1,0.0
CC(C)(C)OC(=O)NCCC(=O)Nc1cccc([C@H](c2c([O-])oc3ccccc3c2=O)C2CC2)c1,0.0
NC(=[NH2+])c1ccc(C2=NO[C@H](CC(=O)Nc3cccc(C(N)=[NH2+])c3)C2)cc1,0.0
CNC(=O)C(=O)CCCCCCC(=O)Nc1nc2ccccc2s1,0.0
NC(N)=Nc1ncc(Cl)c2ccc(S(=O)(=O)NC3(C(=O)[O-])CCC3)cc12,0.0
C[C@H]1CC[N@H+](CCC(=O)Nc2ccc(S(N)(=O)=O)cc2)CC1,0.0
O=C(CCCCCCN1c2cccc3cccc(c23)S1(=O)=O)NO,0.0
NC(=O)c1cc(F)cc2[nH]c(-c3ccc([C@@H]4CCCC[NH2+]4)cc3)nc12,0.0
C[N@H+](CCCCc1ccccc1)CC[C@@](O)(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
CCCCCCCCCCCCCCCC(=O)c1c(O)oc(CO)c1[O-],0.0
O=C([O-])c1ccccc1S(=O)(=O)Nc1ccc(Cl)cc1,0.0
CC(C)S(=O)(=O)n1c(N)nc2ccc(-c3[nH]cnc3-c3ccc(F)cc3)cc21,0.0
O=C1N(CC[NH+]2Cc3ccccc3C2)CCN1c1cc(Cl)cc(Cl)c1,0.0
Cc1cnc(C(=O)Nc2cc(-c3ccnc(Nc4ccccc4)c3)ccn2)cn1,0.0
COc1cccc(-c2ccc(NC(=O)C3=C(C(=O)[O-])COC3)c(F)c2)c1,0.0
[NH3+]C1CCN(c2ccnc3[nH]ccc23)CC1,0.0
NC(N)=Nc1ccc(NC(=O)c2cc3cc4ccccc4cc3cc2O)cn1,0.0
CC(C)(C)OC(=O)N[C@@H](Cc1ccccc1)C(=O)[C@@H](O)C[NH2+][C@@H](Cc1ccccc1)C(=O)NCC(N)=O,0.0
CSc1ccc(Nc2nc3cc(C(N)=O)ccc3n2Cc2ccccc2C(F)(F)F)cc1,0.0
Cc1c(Cc2ccc(F)cc2)c(=O)oc2cc(OC(=O)N(C)C)ccc12,0.0
CC[C@@H](C(=O)[O-])[C@@H]1CCc2cc(OCCc3nc(-c4cc(C)on4)oc3C)ccc21,0.0
Nc1nc(=O)c2[nH]cc(Cc3ccccn3)c2[nH]1,0.0
C[C@H](CS)C(=O)N(CC(=O)[O-])c1ccc(OCc2ccccc2)cc1,0.0
CN1C(=[NH2+])N[C@@](c2cccc(NC(=O)c3ccc4c(c3)OCO4)c2)(C2CCCCC2)C1=O,0.0
Cc1[nH]c2ccc(OC(F)(F)F)cc2c1Cc1cccc(O[C@@H](C)C(=O)[O-])c1,0.0
O=C1Nc2ccc(-c3cccnc3)cc2/C1=C/c1ccc[nH]1,0.0
CC1=C(/C=C/C(C)=C/C=C/C(C)=C/C(=O)[O-])C(C)(C)CCC1,0.0
CC(C)(C[C@](O)(CC1CCCCC1)C(=O)Nc1ccc2c(c1)COC2=O)c1ccccc1,0.0
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
Cc1cc(N)c2oc(-c3ccc(O)c(O)c3)c(O)c(=O)c2c1,0.0
Oc1ccc2c(ccc3c4ccccc4ccc23)c1O,0.0
NS(=O)(=O)c1ccc(CNC(=O)c2c[nH]nc2-c2cc(Cl)c(O)cc2O)cc1,0.0
Cc1ccc(-c2ccc(S(=O)(=O)[C@@H]3CCOC[C@]3(O)C(=O)NO)cc2)cc1,0.0
Cc1cc(N)[nH+]c(C[C@@H]2C[NH2+]C[C@@H]2OCc2ccc(-c3ccc(F)c(C)c3)cc2)c1,0.0
O=C1NCCn2c(CCc3ccccc3)nc3cccc1c32,0.0
NC(=[NH2+])c1ccc2cc(OC(=O)c3ccc(NC4=[NH+]CCN4)cc3)ccc2c1,0.0
COC(=O)C[C@H](CCCCc1ccc(NC(N)=[NH2+])cc1)c1cccc(C(N)=[NH2+])c1,0.0
Cc1ccc(Cl)c(Nc2ccccc2C(=O)NOCc2ccc([N+](=O)[O-])cc2)c1Cl,0.0
Cc1cc(NC(=O)CC(=O)[O-])cc(Cl)c1Oc1ccc(O)c(S(=O)(=O)CC2CCC2)c1,0.0
Nc1[nH]c2cc3c(cc2[nH+]1)CCCN3Cc1ccc2cc(CO)ccc2c1,0.0
Cc1ccc2oc(=O)c(C[C@H](Cc3ccccc3)C(=O)NO)cc2c1,0.0
O=S(=O)(c1ccccc1)N1Cc2cc(O)ccc2[C@@H](c2ccc(O)cc2)C1,0.0
O=C(CCCCc1cc(C(=O)NO)no1)Nc1cnc2ccccc2c1,0.0
[NH2+]=C(Nc1cccc(C[NH3+])c1)c1ccco1,0.0
CCCCc1oc2ccccc2c1[C@@H](O)c1ccc(-c2ccc(O)cc2)cc1,0.0
[NH3+][C@H](COc1cncc(-c2ccc3cnccc3c2)c1)CC1CCCCC1,0.0
COc1cc(Nc2ncc3ccn(-c4cccc(-c5nnn[n-]5)c4)c3n2)cc(OC)c1OC,0.0
O=C(Cc1ccc(F)cc1)NC(=O)Nc1ccc(Oc2ncnn3ccc(CNC4CC[NH2+]CC4)c23)c(F)c1,0.0
CS(=O)(=O)c1ccc(-n2cc(-c3ccccc3)nn2)cc1,0.0
C[C@H](Nc1cncc(Cl)n1)c1cccc(NC(=O)c2cncc(Br)c2)c1,0.0
COc1cc(Br)cc(-c2ccc(C[N@@H+]3CCc4ccccc4C3)[nH]2)c1OC,0.0
CCc1c(-c2ccccc2)c(-c2ccccc2)nn1-c1ccccc1-c1cccc([C@@H](O)C(=O)[O-])c1,0.0
O=C(Nc1ccccc1S(=O)(=O)[N-]c1ccc(Cl)cn1)c1ccc(-n2ccccc2=O)cc1,0.0
CCc1c(C(=O)C(N)=O)c2c(OC)cccn2c1Cc1ccccc1-c1ccccc1,0.0
COc1ccc(C(=O)Oc2cccc3c(O)cccc23)cc1,0.0
NC(=[NH2+])NCCC[C@@H](CCl)NC(=O)[C@@H]1CCN2CC[C@@]([NH3+])(Cc3ccccc3)CN12,0.0
Clc1cccc(Cc2nc3c(NCC[C@@H]4CCCC[NH2+]4)nccc3o2)c1,0.0
CC[C@H](c1ccc(-c2ccc(O)c(Cl)c2)cc1)n1cc[nH+]c1,0.0
CC(C)(C)c1cc(NC(=O)Nc2ccc(NC(=O)c3ncccc3[O-])cc2)no1,0.0
CN(C)c1cccc2c(S(=O)(=O)NCCO)cccc12,0.0
O=C1[C@H](CS(=O)(=O)c2ccc(Oc3ccccc3)cc2)NCCCN1O,0.0
Cc1ccc(-c2nc(CCCCO/N=C(\CCC(=O)[O-])c3ccccc3)c(C)o2)cc1,0.0
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
C[C@@H]([NH2+][C@H](CCc1cccc2ccccc12)C(=O)[O-])C(=O)N1CCC[C@@H]1C(=O)[O-],0.0
C[C@@]1(Cn2[nH]c3cc(OCc4ccccc4)ccc3c2=O)NC(=O)NC1=O,0.0
CNc1nccc(-c2[nH]c(C3CC3)[nH+]c2-c2cccc(NS(=O)(=O)Cc3ccc(Cl)c(Cl)c3)c2)n1,0.0
CCOc1ccccc1-c1ccc(-c2nc3ccc(F)cc3c(N[C@@H](C)C(=O)[O-])c2C#N)cc1,0.0
O=c1c(Cc2c(O)oc3ccccc3c2=O)c([O-])oc2ccccc12,0.0
CCN1C[C@@H](c2ccc(O)cc2)Cc2ccc(O)cc21,0.0
O=C([O-])c1cc2c3cc([N+](=O)[O-])c(Cl)cc3nc([O-])n2n1,0.0
[NH3+][C@@H](Cn1ccc(=O)n(Cc2ccccc2C(=O)[O-])c1=O)C(=O)[O-],0.0
Clc1ccc2c(Nc3ccc(-c4nc5ccccc5s4)c(Cl)c3)ncnc2c1,0.0
COc1ccc(C)c(C(C)(C)C[C@](O)(Cn2ccc(=O)c3ccccc32)C(F)(F)F)c1,0.0
Nc1nc2c(c(=O)[nH]1)CC=N2,0.0
O=C(c1ccc(Nc2nccc(-c3cc4ccccc4s3)n2)cc1)N1CCCC1,0.0
[O-]c1nc(Sc2ccccc2)nc2c1ncn2CCCCO,0.0
CS(=O)(=O)c1ccc(-c2cc(C(F)(F)F)cnc2OCC2(O)CCCC2)cc1,0.0
COc1cc(C[C@@H](CO)[C@H](CO)Cc2ccc3c(c2)OCO3)cc(OC)c1OC,0.0
O=C([O-])CN(C(=O)c1cccc([N+](=O)[O-])c1)c1ccc([N+](=O)[O-])cc1,0.0
O=C([O-])c1c[nH]c(-c2ccccc2)n1,0.0
O=C(NC1CCCCC1)c1ccc(CNS(=O)(=O)c2cccc(Cl)c2)cc1,0.0
Cc1ccn(CCC2CCCC2)c(=O)c1-c1ccc2nc(N)ncc2c1,0.0
CCOC(=O)c1ccc(OC(=O)c2cc3c(cc2C)N(C)CCC3(C)C)cc1,0.0
Nc1nccc(-c2c(-c3cccc(C(=O)Nc4c(F)cccc4F)c3)nc3ccccn23)n1,0.0
O=[N+]([O-])c1ccc(N2CCCC2)c2ccccc12,0.0
Oc1cc2cc(-c3cccnc3)cnc2cc1O,0.0
O=C(NC[C@H]1CC[C@H](C(=O)NO)CC1)c1ccc(-c2ccccc2)cc1,0.0
Nc1ncc(NC(=O)c2c(Cl)ccc3c(Nc4cccc(C(F)(F)F)c4)noc23)cn1,0.0
CCNC(=O)N1CCC(Nc2nccc(-c3c(-c4ccccc4)[nH]c4ccccc34)n2)CC1,0.0
[NH3+][C@H](Cc1cc(F)c(F)cc1F)C1CCN(C(=O)c2cnc3ncccn23)CC1,0.0
O=C1NC(=O)C(c2cn(CCCn3cc[nH+]c3)c3ccccc23)=C1Nc1ccccc1,0.0
CC(=O)c1cc(O)c([O-])c([N+](=O)[O-])c1,0.0
O=C(CCc1cnnn1-c1cccc(Cl)c1)c1ccccc1,0.0
CC(=O)Nc1ccc(C(=O)Nc2ccccc2N)cc1,0.0
C[C@H](C(=O)[O-])c1ccc(C[C@H]2CCC[C@@H]2O)cc1,0.0
O=c1[nH]c2cc(CN3CCC(c4ccccc4)CC3)c([N+](=O)[O-])cc2[nH]c1=O,0.0
CNC(=O)C[N@@H+]1CCC[C@@H](Nc2ncc(Cl)c(-c3c[nH]c4ccccc34)n2)C1,0.0
N#Cc1ccc(Cn2cncc2CN2CCN(C(=O)OCc3cccc4c3OCO4)CC2)cc1,0.0
CC[C@]1(C[C@](O)(CNC(=O)c2cnn(-c3ccccc3)c2N)C(F)(F)F)CCCc2ccccc21,0.0
O=C(N[C@H]1[C@@H]2C[C@H]3C[C@@H](C2)C[C@@H]1C3)N1CCC(Cc2ccccc2)CC1,0.0
C=C(c1ccc(C(=O)[O-])cc1)c1cc2c(cc1C)C(C)(C)[C@H](C)C2(C)C,0.0
Nc1cccc(Nc2nccc(-c3ccncc3)n2)c1,0.0
COc1ccc(Cc2cnc(NC(=O)c3cccs3)s2)cc1,0.0
O=C(NCc1ccc(Cl)cc1Cl)N1CCC(Oc2cc[nH+]cc2)CC1,0.0
NC(=O)c1cccc(-c2ccc([C@H]([NH3+])Cc3cc(F)ccc3F)cc2)c1,0.0
Nc1nccc(-c2[nH]c(C3CC[NH2+]CC3)nc2-c2cccc(C(F)(F)F)c2)n1,0.0
CC[N@@H+]1CC[C@@]2(C)c3cc(OC(=O)NCc4ccccc4)ccc3C[C@H]12,0.0
CCNC1=CC(C(=O)N[C@@H](Cc2ccccc2)[C@H](O)C[NH2+]C2CC2)=C[C@@H]2[C@@H]1CCCS(=O)(=O)N2C,0.0
O=C(CNO)Cc1cn(C(=O)OCc2ccccc2)c2ccc(Br)cc12,0.0
OC[C@H]1[NH2+][C@H](CO)[C@H](O)[C@H]1O,0.0
[O-][n+]1ccc2[nH+]cn(CCOc3ccc(Cc4ccccc4)cc3)c2c1,0.0
Nc1nc(CCc2ccccc2)cs1,0.0
OC[C@H]1C[N@@H+](CCCc2ccccc2)C[C@@H](O)[C@@H]1O,0.0
CCOC(=O)C1=C(c2ccccc2)c2ccc(OCCc3ccccc3)cc2C1=O,0.0
Cc1cc(NC(=O)C(=O)[O-])cc(C)c1Sc1ccc(O)c(C2CCCCC2)c1,0.0
[NH3+][C@@H](Cn1nc(Cl)c([O-])nc1=O)C(=O)[O-],0.0
Cn1c([O-])c(C(=O)Nc2ccc(Cl)cc2)c2ccccc2c1=O,0.0
CC(C)(C)c1cccc(-c2ccncc2)c1,0.0
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
N#C[C@@H]1CCCN1C(=O)C[NH2+][C@@]12C[C@@H]3C[C@@H](C[C@@](O)(C3)C1)C2,0.0
c1ccc2[nH]c(Oc3ccc(OCCC[NH+]4CCCCC4)cc3)nc2c1,0.0
[NH2+]=C(Nc1ccc(CCNCc2cccc(Cl)c2)cc1)c1cccs1,0.0
CC(C)c1ccccc1OC[C@@H](O)C[N@H+]1CC[C@H](N2C(=O)c3cccc4cccc(c34)C2=O)CC1,0.0
CCc1nnc2ccc(N3CC[C@H](c4cc(F)c(F)cc4F)[C@@H]([NH3+])C3)nn12,0.0
COc1cc(Nc2nc3c(c[nH+]2)CCCN3c2ccccn2)cc(OC)c1OC,0.0
O=C(NNC(=O)c1ccccc1O)c1ccccc1O,0.0
CC(=O)OCCn1c(Sc2nc3cccc(Cl)c3s2)nc2c(N)ncnc21,0.0
O=C1c2ccccc2C(=O)N1c1c[nH]c(=O)[nH]c1=O,0.0
Nc1nc(N)c2c(OCc3ccccc3F)cccc2[nH+]1,0.0
C[S@](=O)c1ccc(-c2nc(-c3ccc(F)cc3)c(-c3ccncc3)[nH]2)cc1,0.0
CC(C)[C@@H](NS(=O)(=O)c1ccc(-c2ccc(C#N)cc2)cc1)C(=O)NO,0.0
N#C[C@@H](c1ccccc1)[C@H](N)Sc1ccccc1N,0.0
Cc1c(CC(=O)[O-])nn(Cc2nc(-c3cccc(F)c3F)no2)c(=O)c1C,0.0
CC1(C)CCCN(C(=O)c2cccc(COc3c(Cl)cc(Cl)cc3Cl)n2)C1,0.0
Nc1nc2c(ncn2Cc2ccccc2/C=C/[P@@](=O)([O-])O)c(=O)[nH]1,0.0
Fc1ccc([C@H](Cl)Cn2ncc3c(Nc4cccc(F)c4)ncnc32)cc1,0.0
CC(=O)S[C@H](CC(=O)N1CCC[C@@H]1C(=O)[O-])C(=O)c1ccc2c(c1)CCC2,0.0
CCCCCC[C@@H](O)Cn1cc2c(N)ncnc2n1,0.0
O=C([O-])c1ccc(-c2ccc(/C=C3\SC(=S)N=C3[O-])o2)cc1,0.0
C[C@@H]1CC(C)(C)Nc2cc3c(cc21)-c1ccccc1C3,0.0
O=C1C=C(C2CCCCC2)c2ccccc2C1=O,0.0
CC[C@@H](C)CNC(=O)[C@@H]([NH2+][C@@H](O)[C@@H](CC(=O)[C@H](CC(=O)[O-])NC(=O)COc1ccccc1)CC1CCCCC1)C(C)C,0.0
CCN(C(=O)c1cccc2c1OCC2)c1ccnc(N[C@@H](C)c2ccccc2)n1,0.0
O=C(NCc1ccccc1)c1nc(-c2cccs2)nc([O-])c1O,0.0
NC1=NN(c2cccc(C(F)(F)F)c2)CC1,0.0
Cc1cccc(-c2[nH]ncc2-c2ccc(F)cc2)n1,0.0
c1ccc(-c2nc3n(c2-c2ccc4c(c2)OCO4)CCC3)nc1,0.0
COc1cc(OC)c2c(c1)OC[C@H](OC(=O)c1cc(O)c(O)c(O)c1)C2,0.0
O=C(c1ccccc1)N1CCN(C2c3ccccc3-c3ccccc32)CC1,0.0
Cc1occc1-c1nc(N)c(OC[C@@H]([NH3+])Cc2ccccc2)cc1-c1cnc2[nH]nc(C)c2n1,0.0
Nc1noc2ccc(-n3nnnc3C(=O)Nc3ccc(C(=O)N4CCCC4)cc3F)cc12,0.0
COc1ccc(CCCc2ccc(O)cc2)c(O)c1,0.0
CCC[C@H](c1cccc([N-]S(=O)(=O)c2cccnc2)c1)c1c(O)c2c(oc1=O)CCCCCC2,0.0
Nc1nc2c(nc(N)n2[C@H]2O[C@H](CSc3ccccc3)[C@@H](O)[C@H]2O)c(=O)[nH]1,0.0
C[C@@H]([NH3+])c1ccc(C(=O)Nc2ccnc3[nH]ccc23)cc1,0.0
CSc1nc(NCc2ccccc2)c2cnn(C[C@@H](Br)c3ccccc3)c2n1,0.0
CC(=O)N[C@H]1[C@H]([N@H+](C)CCc2ccccc2)C=C(C(=O)[O-])C[C@@H]1N,0.0
C[C@@H](C(=O)[O-])c1ccc2c(c1)[nH]c1ccc(Cl)cc12,0.0
CC(C)C[C@H](NC(=O)C(=O)Nc1cccc2ccccc12)C(=O)N[C@H](C=O)CC(=O)[O-],0.0
COc1ccc(-c2ccc(NC(=O)Nc3cc(C)ccc3F)cc2)c2c(N)noc12,0.0
Cc1cccc(C)c1Oc1ccc(C#N)c(C(F)(F)F)c1,0.0
Cc1cn([C@H]2C[C@H](N=[N+]=[N-])[C@@H](CO)O2)c(=O)[nH]c1=O,0.0
Nc1nc(N)c2nc(CCc3cccc4ccccc34)cnc2n1,0.0
c1ccc(-c2ncnc3[nH]ccc23)cc1,0.0
CNC(=O)c1ccc(C)c(-n2ncc(OCc3ccc(F)cc3F)c(Br)c2=O)c1,0.0
O=C([O-])CN1C(=O)O[C@@H](c2ccccc2)C1=O,0.0
c1cnn2ncc(-c3ccnc(Nc4ccc5c(c4)OCCCO5)n3)c2c1,0.0
CCCc1cc(-c2noc3cc(O)ccc23)c(CC)cc1O,0.0
COc1ccc(-c2cnc(CCCCCCC(=O)NO)o2)cc1,0.0
CCCc1cc(C(F)(F)F)ncc1OCCCOc1ccc(OCC(=O)[O-])c(C)c1,0.0
NS(=O)(=O)c1ccc(CCNS(=O)(=O)[C@@H]2O[C@H](C(=O)[O-])[C@H](O)[C@H](O)[C@H]2O)cc1,0.0
Nc1nc(N)c2cc(/C=C/C(=O)Oc3ccccc3)ccc2[nH+]1,0.0
COc1ccc(-c2ccc(CN3[C@@H](C(=O)NO)CCS3(=O)=O)cc2)cc1,0.0
O=c1oc2ccccc2cc1-c1ccc(O)cc1,0.0
O=c1cc(C(F)(F)F)c2cc3c(cc2[nH]1)OCCN3Cc1ccccc1,0.0
CCOC(=O)c1cn2c3c(nc([O-])c2n1)-c1ccccc1C3,0.0
O=c1[nH]c2ccc(NCCN3CCOCC3)nc2c2ccccc12,0.0
Cc1cccc(-c2[nH]c(Cc3cccc(C(N)=O)c3)nc2-c2ccc3nccnc3c2)n1,0.0
C[P@](=O)([O-])CC(=O)[O-],0.0
Brc1cccc(Nc2ncnc3cc4c(ccn4CCN4CCOCC4)cc23)c1,0.0
O=C([O-])COc1cccc(-c2ccccc2-c2cc(-c3ccccc3)c(-c3ccccc3)o2)c1,0.0
Nc1nc(-c2ccco2)c2cnn(C(=O)NCc3ccccc3)c2n1,0.0
O=C(Nc1cc(C2CCCC2)[nH]n1)c1ccc(Br)cc1,0.0
Cc1cc(C)c(NC(=O)Nc2cc3ccccc3cc2C(=O)N[C@@H](CCC(C)C)C(=O)[O-])c(C)c1,0.0
O=c1c2cc(Cc3ccccc3)ccc2oc2ccc(O)c(O)c12,0.0
CCOc1ccc([C@@H](Nc2ccc(C(N)=[NH2+])cc2)C(=O)NCc2ccccc2)cc1OCC,0.0
C[C@@H](Oc1ccc2ncc(/C=C/C(N)=O)cc2c1)c1c(Cl)ccc(F)c1Cl,0.0
CCCC[C@H](CC(=O)NO)[S@](=O)c1ccc2ccccc2c1,0.0
Cc1ccc2c(c1)/C(=C/c1cc(Br)c(O)c(Br)c1)C(=O)N2,0.0
Nc1nc(N)c2c(ncc3c2ccn3Cc2ccc(Cl)cc2Cl)n1,0.0
O=C([O-])C(=O)CC(=O)c1cccc(OCc2cccc(COc3cccc(C(=O)/C=C(\[O-])C(=O)[O-])c3)c2)c1,0.0
CCCN(CCC)C(=O)c1cc(C)cc(C(=O)N[C@@H](Cc2cc(F)cc(F)c2)[C@H](O)[C@H]2CCC[NH2+]2)c1,0.0
NS(=O)(=O)c1ccc(S(=O)(=O)[N-]c2cccc3c(Cl)c[nH]c23)cc1,0.0
O=C([O-])CCCn1c2ccccc2c2ccccc21,0.0
NC(=O)c1cccc(Nc2nccc(Nc3cccc4n[nH]nc34)n2)c1,0.0
Cn1c(C#N)ccc1-c1ccc(C(=O)c2cccs2)cc1,0.0
C[C@H](Cc1ccc(OCc2no[n+]([O-])c2C(N)=O)cc1)[NH2+]C[C@@H](O)c1cc(O)cc(O)c1,0.0
COc1cc(Nc2nc3cccc(-c4ccc5ncccc5c4)c3o2)cc(OC)c1OC,0.0
CCCCNc1nc(-c2ccc(S(N)(=O)=O)cc2)cc(C(F)(F)F)n1,0.0
O=C(NCc1ccncc1)c1cnc(Nc2cccc(Cl)c2)nc1C(F)(F)F,0.0
O=C([O-])[C@@H](CC#Cc1ccccc1)NS(=O)(=O)c1ccc(-c2ccc3c(c2)OCO3)cc1,0.0
N#Cc1cc(F)cc(-c2ccc3[nH]c(=O)n(-c4ccccc4)c3c2)c1,0.0
CC(C)C1=NCCc2ccc(NC(=O)c3ccc4cc(C(N)=[NH2+])ccc4c3)cc21,0.0
CCc1cc2c(cc1CC)CC([NH2+]C[C@H](O)c1ccc([O-])c3[nH]c(=O)ccc13)C2,0.0
C[C@H](CCc1ccc(O)cc1)NC(=O)Cc1c(-c2ccccc2)[nH]c2ccccc12,0.0
O=C([O-])Cn1c(=O)c(=O)[nH]c2cc([N+](=O)[O-])c(-n3ccc(C[NH2+]CCCc4ccccc4)c3)cc21,0.0
COc1cc(-c2ccnc(Nc3ccc(N4CCOCC4)cc3)n2)ccc1O,0.0
O=C1NC(=O)C(c2cn(-c3cccnc3)c3ccccc23)=C1c1[nH]nc2ccccc12,0.0
COc1ccc2c(c1)c(CC(=O)NN)c(C)n2Cc1ccccc1-c1ccccc1,0.0
Cc1cc(Oc2ccnc(Nc3ccccc3N3CCOCC3)c2)c(-c2ccccn2)nc1C,0.0
COc1ccc(CC[NH2+]C[C@@H](O)COc2cccc3[nH]ccc23)cc1OC,0.0
CCCC(=O)N1CCc2c([nH]c3ccc(C)cc23)[C@@H]1c1c[nH]c2ccccc12,0.0
[NH3+][C@H](CCc1cc(-c2ccc3cnccc3c2)no1)Cc1ccc(C(F)(F)F)cc1,0.0
C=CCOC(=O)/C(C#N)=C1\S[C@H](CNc2ccc(C(C)=O)cc2)C(=O)N1CC,0.0
CNc1nccc(-c2ccc(C(=O)N[C@H](C[NH3+])Cc3ccc(Cl)cc3Cl)s2)n1,0.0
FC(F)(F)c1cnc(Nc2ccc3[nH]ncc3c2)nc1NCc1ccccn1,0.0
CCCCC[C@]([NH3+])(P(=O)([O-])[O-])[P@@](=O)([O-])O,0.0
C[C@H](Nc1cc(-c2ccoc2)nc(-n2cnc3ccc(C#N)cc32)n1)c1ccccc1,0.0
CCc1c[nH]c2ncnc(N3CC[C@]([NH3+])(CNC(=O)c4ccc(F)cc4F)C3)c12,0.0
O=C([O-])C[C@H](O)CC(=O)CCc1ccccc1,0.0
O=C(NCCCN1CCCC1=O)[C@H]1C[C@H]1c1ccc(Sc2ccccc2N2CCCC2)c(C(F)(F)F)c1,0.0
O=C1Cc2cc(Cl)c(-c3ccccc3)cc2O1,0.0
Nc1ncnc2n[nH]c(-c3ccc(Cl)cc3)c12,0.0
COc1cccc2oc3cc(O)ccc3c(=O)c12,0.0
O=c1c(O)c(-c2cc(O)c(O)c(O)c2)oc2cc(O)cc(O)c12,0.0
Cc1cc([N-]S(=O)(=O)c2ccc(N)cc2)no1,0.0
O=[N+]([O-])c1ccccc1S(=O)(=O)c1c[nH]c2ncccc12,0.0
FC(F)(F)c1ccccc1-c1cccc(-c2c[nH]cn2)c1,0.0
O=P([O-])([O-])[C@H](CSc1ncc[nH]1)[P@@](=O)([O-])O,0.0
O=C(/C=C(/[O-])c1cccc2ccccc12)CC(=O)C(=O)[O-],0.0
NC(=O)c1ccc(Nc2cc(-c3ccc(F)cc3)[nH]n2)cc1,0.0
C[C@@H](C(=O)[O-])c1cc(O)c2c(c1)CCc1ccccc1C2=O,0.0
COc1cc(C[C@H]2C(=O)OC[C@@H]2Cc2ccc(OC)c(OC)c2)ccc1O,0.0
Oc1cc(-c2[nH]cnc2-c2ccncc2)ccc1Cl,0.0
CN1C(=S)OC(C)(C)c2cc(Nc3ccc(Br)cc3)ccc21,0.0
C[N@H+](CCCOc1ccc(Cc2ccccc2)cc1)CCn1cnnn1,0.0
COc1ccc(Oc2ccc(S(=O)(=O)c3ccccc3CC(=O)NO)cc2)cc1,0.0
COC(=O)Nc1cccc2ccc(C(N)=[NH2+])cc12,0.0
CC(C)n1cc(-c2ccc(Oc3ccc(CO)cc3)cc2)c2c(N)ncnc21,0.0
Nc1ncnc2c1ncn2[C@H](C=O)O[C@@H](C=O)CO,0.0
O=C(Nc1nnc(SCc2cccc(F)c2)s1)c1ccc(Cl)cc1,0.0
Cc1cccc(-c2cc([O-])c(Sc3ccccc3C(C)C)c(=O)o2)c1,0.0
NC(=O)C[C@H](NC(=O)c1c(F)cccc1Cl)C(=O)[O-],0.0
O=C(CSc1nnnn1-c1cccc2ccccc12)Nc1ccccc1[N+](=O)[O-],0.0
O=C1NC(=O)C(c2cn(CCCO)c3ncccc23)=C1c1ccccc1Cl,0.0
O=C1N=C(N[C@@H]2C[C@H]2c2ccccc2)S/C1=C\c1ccc2ncccc2c1,0.0
N/C(=[NH+]\CC1CCCCC1)c1c(Nc2ccc(Cl)cc2Cl)s[nH]c1=O,0.0
CC(C)C[C@H](NC(=O)c1cc(NCc2ccncc2)ccc1-c1ccccc1)C(=O)[O-],0.0
O=C(C(=O)N1CCCC[C@H]1C(=O)O[C@H](CCCc1ccccc1)CCCc1ccccn1)c1ccccc1,0.0
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
CCn1c(CC[C@@H](O)C[C@@H](O)CC(=O)[O-])c(-c2ccc(F)cc2)c(C)c1C(=O)NCc1ccc(C(=O)[O-])cc1,0.0
CCCc1c(OCCCn2nnc3cc(CC(=O)[O-])ccc32)ccc2c(C(F)(F)F)noc12,0.0
CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,0.0
O=C([O-])c1sccc1NS(=O)(=O)c1cccc([N+](=O)[O-])c1,0.0
O=c1cc(-c2ccccc2)oc2cccc(O)c12,0.0
O=C1ON=C(c2ccccc2F)/C1=C/c1ccc(N2CCCC2)cc1,0.0
Cc1c[nH]nc1-c1ccc(-c2cn(C)nc2-c2ccncc2)cc1,0.0
NS(=O)(=O)c1ccc(NNC(=O)c2cccc(C(=O)[O-])n2)cc1,0.0
CNS(=O)(=O)c1ccc(Nc2nccc(-c3cnc4cccnn34)n2)cc1,0.0
O=C(OCc1ccccc1)N1CCC(CNc2ccncn2)CC1,0.0
Clc1ccc(Nc2nnc(Cc3ccncc3)c3ccccc23)cc1,0.0
Nc1ccn([C@H]2CC[C@@H](CO)O2)c(=O)n1,0.0
CC(C)CCN1C(=O)[C@H](CC(=O)NO)Cc2ccccc21,0.0
Nc1c(-c2nc3nc(N4CCOCC4)ccc3[n-]2)c(=O)[nH]c2ccccc12,0.0
O=C(NO)c1ccc(-c2cccc3ccccc23)cc1,0.0
CN1N=C(N)c2cn([C@@H]3O[C@H](CO)[C@@H](O)[C@H]3O)c3ncnc1c23,0.0
Cn1c(C#N)ccc1-c1ccc2c(c1)[C@](C)(c1ccco1)OCC(=O)N2,0.0
OCCSc1nc(-c2ccc(F)cc2)c(-c2ccnc(N[C@H]3CC[C@H](O)CC3)c2)[nH]1,0.0
COc1ccc(Nc2c(C#N)cnc3cc(OCCCN4CCOCC4)c(OC)cc23)cc1,0.0
O=[N+]([O-])c1cccc2cn([N+](=O)[O-])nc12,0.0
C=Cc1cncc(-c2ccc([C@@H](C)C(=O)[O-])cc2)c1,0.0
Nc1c(CC(=O)[O-])cccc1C(=O)C1CCCCC1,0.0
COc1ccccc1COCCCOc1ccc([C@H]2CC[NH2+]C[C@@H]2OCc2cc(OC)c3ccccc3c2OC)cn1,0.0
Nc1ncnc2c1c(-c1ccccc1)nn2-c1ccccc1,0.0
Cc1cc(C(F)(F)F)c(N)c(=O)n1CC(=O)NCc1cc(Cl)ccc1OCC(=O)NCCC[NH+](C)C,0.0
NC(=[NH2+])c1ccc2[nH]c(-c3cccc(Br)c3[O-])cc2c1,0.0
Cc1cc(I)c(O)c(C(=O)Nc2ccc(C(N)=[NH2+])cc2)c1,0.0
NC(=[NH2+])c1ccc2cc(/C=C/c3ccccc3)cc(-c3ccoc3)c2c1,0.0
C[NH2+][C@H](C)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H]1CCCc2ccccc21)C1CCCCC1,0.0
C[NH+](C)[C@@H]1CCN(C(=O)c2c[nH]c(/C=C3\C(=O)Nc4ccc(NC(N)=O)cc43)c2)C1,0.0
CCCCNC(=O)[C@H](C)C[C@H](O)[C@@H]([NH3+])CC(C)(C)CCc1cccc2ccccc12,0.0
O=CNc1cc([C@@H](O)C[NH2+]CCc2ccc(OCCc3ccccc3)cc2)ccc1O,0.0
NC(=O)c1sc(-c2cnn3ccccc23)cc1OCc1ccccc1C(F)(F)F,0.0
CCOC(=O)c1cc(CCn2cnc3c2NC=[NH+]C[C@@H]3O)c2c(c1Br)CCCC2,0.0
O=C(/C=C/c1ccc2cccnc2c1)NCCCCCC(=O)NO,0.0
O=C([O-])Cc1coc2cc(OCc3ccccc3COc3ccc(C(F)(F)F)cc3)ccc12,0.0
CCOC(=O)[C@H](CCc1ccccc1)S[C@H](C)C(=O)N1Cc2ccccc2C[C@@H]1C(=O)[O-],0.0
O=C(CCCCCCNC(=O)c1cn(-c2ccccc2)c2ccccc12)NO,0.0
Cn1ccnc1Sc1cc(C(=O)Nc2nccs2)c(N)cc1F,0.0
C[C@H](NC(=O)[C@@H](CSC(=O)[O-])Cc1ccc2c(c1)OCO2)C(=O)OCc1ccccc1,0.0
CN(C[C@@H]1CCc2[nH+]c(N)nc(N)c2C1)c1cccc2ccccc12,0.0
Cc1nc2ccccc2n1CC[NH2+]Cc1ccc(/C=C/C(=O)NO)cc1,0.0
NC(=O)c1cccc2[nH]c([C@H]3CC[N@H+](C4CCCC4)CC3)nc12,0.0
FC(F)(F)c1cccc(-c2n[nH]cc2-c2ccnc3ccccc23)c1,0.0
O=C1C[C@H](O)C[C@@H](CCc2c(Cl)cc(Cl)cc2Cc2ccccc2)O1,0.0
CCOc1ccccc1-c1nc([O-])c2nnc(C3CCCC3)n2n1,0.0
O=C(Nc1ccc(-c2cccc3c2CNC3=O)cc1)Nc1cccc(C(F)(F)F)c1,0.0
C=C1C=C(C)CC(C)(C)[C@@H]1C/C=C/c1cc(OC)c(Br)cc1O,0.0
Cc1cc(C[C@H]([NH3+])C(=O)[O-])cc(C)c1Cc1ccc(O)c(C(C)C)c1,0.0
Cc1nc2ccc(C)c(Sc3ccc(S(=O)(=O)c4ccccc4)cc3)c2c(=O)[nH]1,0.0
C[C@H]([NH2+]CCc1ccc(N(CC(=O)[O-])Cc2ccccc2)cc1)[C@H](O)c1ccc(O)cc1,0.0
Nc1nc(N)c2c(Sc3ccc(N4CCOCC4)cc3)cccc2[nH+]1,0.0
O=C([O-])[C@H](Cc1ccccc1)Oc1ccc(-c2cccs2)cc1,0.0
O=C(C[C@H]1Sc2ccccc2NC1=O)NOCc1ccccc1,0.0
Oc1ccc2nc(-c3ccc(O)c(F)c3)cc(Br)c2c1,0.0
O=C([O-])Cc1cc(Br)c(OCC2CCCCC2)c(Br)c1,0.0
O=C1[C@H]2[C@@H]3CC[C@@H](C3)N2C(=O)N1c1cccc(C(F)(F)F)c1,0.0
O=C(NCCc1cccs1)NCc1cccc(-c2cccc(-c3cc4c[nH+]ccc4[nH]3)c2O)c1,0.0
O=C(/C=C/c1cccc(C(=O)c2cc3ccccc3[nH]2)c1)NO,0.0
O=C1c2ccccc2C2=NNC3=CC=C[C@@H]1[C@H]32,0.0