diff --git "a/data/data/QSAR/AKT1/akt1_test.csv" "b/data/data/QSAR/AKT1/akt1_test.csv"
new file mode 100644--- /dev/null
+++ "b/data/data/QSAR/AKT1/akt1_test.csv"
@@ -0,0 +1,4093 @@
+canonical,activity
+Cc1cccc(C2NC3=c4ccccc4=[NH+]C(NCCC4=c5ccccc5=[NH+]C4)N3N2)c1,0
+C[NH+]1CCc2c(sc3c2CN(C(=O)NCCc2ccccc2)C(c2ccc(F)cc2)c2cccn2-3)C1,0
+CC[NH+]1CCc2c(sc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(C)cc3)c2C(N)=O)C1,0
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CC(=O)Nc5cccc(F)c5)cc4)c3n2)c1,1
+COc1cc2c(cc1Nc1nc(Nc3cccc4c3C(=O)NC4)c3cc[nH]c3n1)N(C(=O)CN(C)C)CC2,1
+CC(=O)OC1(C(C)=O)CCC2C3C=C(C)C4=CC(OC(=O)CC[NH+]5CCCCC5)CCC4(C)C3CCC21C,0
+C[NH+]1CCN(CCCNC(=O)C2CCC(CNc3[nH]c(=S)nc4ccccc34)CC2)CC1,0
+CCCCC1CC(C)(c2csc(NCCCNC(N)=S)[nH+]2)OC1=O,0
+NC(COc1cncc(C=Cc2ccnc(NCc3ccccc3)c2)c1)Cc1c[nH]c2ccccc12,1
+O=C(NN=Cc1coc2ccc(F)cc2c1=O)c1cc(-c2ccc(F)cc2)nc(-c2ccc(Cl)cc2)c1,0
+O=C1C2C(c3ccccc3O)[NH2+]C(CC3=c4ccccc4=[NH+]C3)(C(=O)[O-])C2C(=O)N1c1ccc(Cl)cc1,0
+CCOc1ccc(NC(=O)c2c(NC(=O)C[NH2+]CC3CCCO3)sc3c2CCC3)cc1,0
+COc1ccc(OC)c(C2Nc3ccc(S(=O)(=O)Nc4ccc(C)c(Cl)c4)cc3C3C=CCC32)c1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC12CC[NH2+]CC2,0
+O=C(CSC1=CN=C2[NH+]=c3ccccc3=C2[N-][NH2+]1)Nc1ncc(Cc2ccc(Cl)cc2)s1,0
+CC1CCc2c(sc(NC(=O)C3CCC[NH+](CCC#N)C3)c2C(N)=O)C1,0
+N#CC1=C(SCC(N)=O)NC(O)(C(F)(F)F)C(C(=O)c2cccs2)C1c1ccccc1Cl,0
+CC(C)n1cc(C(=O)c2cncc(NC3CNCC3c3ccc(F)cc3)n2)c2c(N)ncnc21,1
+O=C(C[NH+]1CCc2c([nH]c3ccccc23)C1c1cc(Cl)cc2c1OCO2)Nc1ccc2c(c1)OCO2,0
+COC(=O)C1CC2=c3ccccc3=[NH+]C2CN1C(=O)COc1cc(C)cc2oc(=O)c3c(c12)CCCC3,0
+NC(COc1cncc(-c2cc3ccncc3s2)c1)Cc1c[nH]c2ccccc12,1
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)oc1Cl,1
+COCCCNC(=S)NCCCNc1[nH+]c2cc(C)cc(C)c2cc1C#N,0
+CCCCN(CC(=O)Nc1cc(-c2ccccc2)nn1-c1ccc(F)cc1)C(=O)Nc1ccccc1F,0
+Cc1cc(NC(=O)CN2CCN(C(=O)c3ccc(-c4nnc(-c5ccccc5C)o4)cc3)CC2)no1,0
+COc1ccccc1C(C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC(CCN)c3ccccc3)cc21,1
+CC1CCC[NH+](C(C)(C)CNS(=O)(=O)c2ccc3c(c2)CCN3C(N)=O)C1,0
+CCOCCN(CC(O)CN1CCCC2(CCc3cc(F)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C,1
+Cc1cccc(-n2nc3c(c2-n2cccc2)CN(C(=O)c2nc4ccccc4s2)C3)c1,0
+C[NH2+]CC(O)C(O)C(O)C(O)COC(=O)CCc1cc(C(C)(C)C)c(O)c(C(C)(C)C)c1,0
+CCN(CC)C(=O)CCC1CNC(=O)C2CC(NCc3ccc(CO)o3)C[NH+]12,0
+O=C(c1ccccc1)C1C(C(=O)c2ccccc2)C2(C(=O)Nc3ccccc32)C2c3ccccc3C=C[NH+]12,0
+COCc1cc(C)nc2c1C(N)C(C(=O)NCCC1=c3cc(OC(F)(F)F)ccc3=[NH+]C1C)S2,0
+COc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3sc4c(c3C(N)=O)CC[NH+](C)C4)C2)cc1,0
+CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CCCCCC4)cc3)c2C(=O)OC)C1,0
+COc1ccc(C(CNC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)[NH+]2CCCC2)cc1,0
+COc1cccc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(c4ccccc4C(=O)NCC(C)C)C(=O)N32)c1,0
+CC1(C)N2CC3[NH+]=c4ccccc4=C3CC2C(=O)N1C(Cc1ccc(O)cc1)C(=O)OCc1ccccc1,0
+O=C(COC(=O)C1CC(=O)N(NC(=O)c2ccc([N+](=O)[O-])cc2)C1)c1ccc(Br)cc1,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4c[nH]c5ccc(F)cc45)cnc3-c3ccoc3)cc12,1
+CC[NH+](CC)CCN(C(=O)C1CCCCN1S(=O)(=O)c1cccs1)c1nc2c(F)cccc2s1,0
+COC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccccc1F,1
+CC#Cc1cc2cc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)ccc2cn1,1
+[NH2+]=C1C(=Cc2cn(Cc3ccccc3F)c3ccccc23)C(=O)N=C2SC(c3ccccc3Cl)=NN12,0
+COC(=O)c1ccc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN(C)C)CC2)cc1,1
+COc1ccc(C2CC(C(=O)NCCC3[NH+]=c4ccccc4=[NH+]3)NN2C2CCS(=O)(=O)C2)cc1,0
+CC(=O)Nc1cccc(C(=O)N=C(NCCC2=c3ccccc3=[NH+]C2)Nc2cccc(C)c2)c1,0
+COc1ccc(NC(=O)c2cc3cc([N+](=O)[O-])ccc3oc2=[NH+]c2ccc(S(N)(=O)=O)cc2)cc1,0
+Cc1onc(-c2ccccc2)c1C(=O)N1CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+COCCN(CC(O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C,1
+CC(C)[NH+](CCn1c(SCc2cc([N+](=O)[O-])cc3c2OCOC3)nc2ccccc2c1=O)C(C)C,0
+CCOCCN(CC(O)CN1CCCC2(CCc3cc(C(N)=O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C,1
+O=C(NCCCn1cc[nH+]c1)C1CN(C(=O)c2ccc(Br)cc2)CC12CC[NH2+]CC2,0
+CC1(C)SC(=S)N(N=CC2=c3ccccc3=[NH+]C2)C1N(O)C(=O)NC1CCCCC1,0
+Cc1cc(Cl)c2c(c1)C1([NH2+]C(CC(N)=O)C3C(=O)N(CCc4ccccc4)C(=O)C31)C(=O)N2,0
+CC[NH+](CC)CCCN(CC1=c2ccccc2=[NH+]C1)C(=S)Nc1cccc(Cl)c1C,0
+NC(=O)C1C2=C(CCC2)SC1NC(=O)CN1C(=O)NC(CC2=c3ccccc3=[NH+]C2)C1=O,0
+COC1(C)CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C(C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1,1
+Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCS(=O)(=O)CC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+COc1cc(-n2c(=O)[nH]c(O)c(C3[NH2+]CCc4c3[nH]c3ccccc43)c2=O)cc(OC)c1OC,0
+Cc1ccc(-c2nc(C)c(C(=O)N3CCC(C(C)C(=O)NCCN4CC[NH+](C)CC4)CC3)s2)cc1,0
+O=C(NCC1CCC[NH+](Cc2cccs2)C1)NC1c2ccccc2CC1O,0
+CC1=CC(NC(=O)CSC2[NH+]=c3ccccc3=C3NC(c4cccc([N+](=O)[O-])c4)NN32)N=N1,0
+CCOCCN(CC(O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1C(F)(F)F,1
+COc1ccc2c(c1OC)CC(C(=O)NC(C)C(=O)NCCC1=c3ccccc3=[NH+]C1)N2,0
+COc1ccc2c(c1)=[NH+]CC=2CCNC(=O)CCC1=C(C)Nc2ncnn2C1O,0
+CC(C)N1C(=O)C(=CNc2ccc3c(c2)CC2(C(=O)NC(=O)NC2=O)C2C[NH+](C)CCN32)C(=O)N=C1S,0
+CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C2C=CCC2C(c2cccc(OC)c2O)N3)cc1,0
+CC(C)C(=O)N1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1,1
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNC(CC(=O)NCC(O)CO)CC2c2ccc(Cl)c(Cl)c2)oc1Cl,1
+Cc1cc(O)c(C[NH+]2CC(C)CC(C)C2)c2c1C(=O)C(=Cc1cc(Br)cc3c1OCOC3)O2,0
+O=C(CCC1CNC(=O)C2CC(NC(=O)Nc3ccsc3)C[NH+]12)NC1CC1,0
+COc1cccc(C2CC(O)=Nc3sc4c(C)c(C#N)c(N)nc4c32)c1,0
+COc1ccc2c(c1)=C1CC[NH2+]C(c3c([O-])[nH]c(=O)n(C(C)CCc4ccccc4)c3=O)C1[NH+]=2,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCNCCc3ccc(OC)cc3)c21,1
+CCN(CC)C(=O)CSc1nc(N2CC[NH+](CC(=O)N3CC3)CC2)c2c3c(sc2n1)COC(C)(C)C3,0
+Cc1ccc(-c2[nH+]cn(C3CCCCC3)c2-c2ccc(C(=O)NCc3cccs3)o2)cc1,0
+CCN(CC)C(=O)c1sc(NC(=O)c2ccc(Cn3nc(C)c(Br)c3C)o2)c(C#N)c1C,0
+COc1ccc2[nH]c(C)c(C(O)C[NH+]3CCC4(CC3)CC(O)c3ccccc3O4)c2c1,0
+CCOC(=O)c1c(NC(=O)C[NH+]2CC(C)CC(C)C2)sc(C(=O)Nc2ccc(C)cc2C)c1C,0
+CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)[NH+](C)C1,0
+CCC[NH+]1CCc2c(sc(NC(=O)CCSc3ccc(Cl)cc3)c2C(=O)OC)C1,0
+COc1cccc(N2C(=O)C3C(CC4=c5ccccc5=[NH+]C4)NC4(C(=O)Nc5ccc(C)cc54)C3C2=O)c1,0
+O=C1CC(C2C=NN=C2C2CCCCC2)C2C(CN1)N=C1C=CC=CN12,0
+O=C(CCN1C(=O)c2cccnc2Sc2ccccc21)NCCC1C=c2cc(Cl)ccc2=[NH+]1,0
+CC1[NH+]=c2ccccc2=C1C(=O)C(C)OC(=O)c1cc(S(=O)(=O)N(C)Cc2ccccc2)ccc1Cl,0
+COc1ccc(CN2C(=O)C(C3NCCC4=c5cc(OC)ccc5=[NH+]C43)C(O)=NC2O)cc1,0
+CCC1CC2=c3ccccc3=[NH+]C2C(c2c([O-])[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)[NH2+]1,0
+Cc1ccc(C)c(CCNC(=O)C2CN(C(=O)COc3cccc4c(C)cc(=O)oc34)CC23CC[NH2+]CC3)c1,0
+CCOCCN(CC(O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1ccccc1C#N,1
+COC(=O)c1cc(NCCN2CCCC2)c(C)c(N2CCN(c3ncnc4[nH]nc(Br)c34)CC2)c1,1
+C=C1C=C([O-])N2C(=NC(NCC[NH+]3CCCCC3)=[NH+]C2C2CC=CCC2)N1,0
+Cc1n[nH]c(SCC[NH2+]Cc2cc3c(C)nn(-c4ccc(F)cc4)c3[nH]c2=O)n1,0
+COc1ccc(OC)c(N2C(=O)C(C3NCCC4=c5cc(OC)ccc5=[NH+]C43)C(O)=NC2O)c1,0
+CC(C)(C)C1NNC(NC(=O)C2CC(=O)N(CCC3=c4cc(F)ccc4=[NH+]C3)C2)S1,0
+CC1CC(C)(C)CC2(C1)NC(=O)N(CC(=O)Nc1cccc(S(=O)(=O)NC3=[NH+]CCC3)c1)C2=O,0
+CCc1cc(C(Nc2cc(C)cc[nH+]2)c2ccc3c(c2)OCO3)c(NC(=O)c2ccco2)s1,0
+Cc1occc1C(=O)NN=C1CCCc2oc(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)c(C)c21,0
+c1cncc(C2NC3=c4ccccc4=[NH+]C(NCCC4=c5ccccc5=[NH+]C4)N3N2)c1,0
+COc1ccc(OC)c(NC(=O)C2CC3CCC[NH+]3C23C(=O)Nc2c(C)cc(C)cc23)c1,0
+NC(COc1cncc(-c2ccc3c(c2)CC(=O)N3)c1)Cc1c[nH]c2ccccc12,1
+Cc1ccccc1CCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21,0
+Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1,1
+CC1CC(C=C(C#N)C(=O)NCCC2=c3ccccc3=[NH+]C2)C(C)N1c1cccc(Cl)c1,0
+CC(Cn1cc[nH+]c1)NC(=O)NNC(=O)c1cc2c(s1)CCCCCC2,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(CNCCF)c4ccc(Cl)cc4)CC3)c21,1
+COc1ccc2c(c1)=[NH+]CC=2CCNC(=O)COc1cc2c(c3oc(=O)cc(C)c13)CCC(C)(C)O2,0
+O=S(=O)(C(=Cc1ccc2c(c1)OCO2)C1[NH+]=c2ccccc2=C1Sc1ccccc1)c1ccccc1,0
+CS(=O)(=O)c1cccc(S(=O)(=O)NCC[NH+]2CCN(c3[nH+]ccc4c3NCCC4)CC2)c1,0
+CC1CC=C(NS(=O)(=O)Cc2ccccc2)C(=O)N1CC(=O)NCc1ccc2c(c1)N=[NH+]C2N,0
+COc1ccc(NC(=O)c2cccc(Br)c2)cc1C[NH+]1CCn2c(nc3ccccc32)C1,0
+Cc1ccc(C2c3ccsc3CC[NH+]2CC(=O)N2CCN(C(=O)c3cccc4ccccc34)C(C)C2)cc1,0
+COc1ccc(CN2C(=O)C(C3NCCC4=c5ccccc5=[NH+]C43)C(O)=NC2O)cc1,0
+C[NH+](C)C(CNC(=O)CCCCC1SCC2NC(=O)NC21)C1CCCCC1,0
+COC(=O)C(CCCNC(N)=[NH2+])NC(=O)C1(C)CCCC2(C)C3CCC(C(C)C)=CC3=CCC12,0
+COC(=O)C1CC(NC(=O)C2[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CN1Cc1ccccc1,0
+NS(=O)(=O)c1ccc(CCNC2[NH+]=c3ccccc3=NC2=NS(=O)(=O)c2cccc(Cl)c2)cc1,0
+CCc1c(C)sc(NC(=O)CSc2nnc(-c3ccc(OC4CCCC4)cc3)n2C)c1C(N)=O,0
+CCOC(=O)C1=C(C[NH+]2CCCN(C(=O)c3cccc(OC)c3)CC2)N(C)C(=O)NC1c1cc(C)ccc1C,0
+CCOC(=O)C1=C(C)N=c2sc(=CC3=c4ccccc4=[NH+]C3)c(=O)n2C1c1ccc(OC)c(OCC)c1,0
+C=CC(C)(CO)[NH+]1CC(CN(CC(C)C)C(=O)c2ccc(C)cc2)C(c2cccc(C(F)(F)F)c2)C1,0
+N#Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(Cl)cc4)C3)c12,1
+C=CCN(c1ccc(OC)cc1)S(=O)(=O)c1ccc(Cl)c(C(=O)Nc2nc3ccccc3[nH]2)c1,0
+CC1(C)C2CC=C(COCC(O)C[NH+]3CCCC(CCC(N)=O)C3)C1C2,0
+Cc1noc2nc3c(c(C(=O)N4CC([NH3+])CC4C(=O)NC(C)C)c12)CCC3,0
+Cc1ccc(COc2cccc(C3C(C#N)=C(N)Oc4cc(OC(=O)c5ccccc5Cl)ccc43)c2)cc1,0
+COc1cc(N2C(=O)C(C3NCCC4=c5ccccc5=[NH+]C43)C(O)NC2O)cc(OC)c1OC,0
+Cc1ccc(NC(=O)c2ccccc2NC(=O)C(=O)NN=CC2C=c3ccccc3=[NH+]C2=O)cc1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3F)CC1)c1ccc(Cl)cc1,1
+CC(CCc1ccccc1)N1CC(=O)N2C(CC3=c4ccccc4=[NH+]C3C2CCc2ccccc2)C1=O,0
+Cc1ccc2c(c1)c(=O)c1ccccc1n2CC(=O)Nc1cc(Oc2ccc(F)cc2F)cc([N+](=O)[O-])c1,0
+CC(C)C1NNC(NC(=O)C2CC(=O)N(CCC3=c4cc(F)ccc4=[NH+]C3)C2)S1,0
+CC1CCN(C(=O)C(Cc2cc3c(N)[nH+]ccc3s2)NS(=O)(=O)c2ccc3ccccc3c2)CC1,0
+O=C(CC1NOC(C(=O)NCCC2=c3ccccc3=[NH+]C2)N1)Nc1ccc(F)cc1F,0
+C=CCN1C(=O)NC(c2cccc(Cl)c2)C2=C1CN(CC(=O)Nc1ccccc1Cc1ccccc1)C2=O,0
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,1
+NCC(Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+COc1ccc(CN2C(=O)C(C3NCCC4=c5cc(OC)ccc5=[NH+]C43)C(O)=NC2O)cc1,0
+COc1ccc2c(c1)=[NH+]CC=2CCNC(=O)CC1C(=O)Oc2cc(O)cc(O)c2C1C,0
+CC(C(=O)NCC[NH+]1CCOCC1)C1CCC2(C)Cc3sc(NC(=O)CC(C)(C)C)nc3C(C)C2C1O,0
+CCC(C)C(NC(=O)Cc1cccc(OC)c1)C(=O)NC1[NH+]=c2ccccc2=[NH+]1,0
+CCc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(Cl)cc4)C3)c12,1
+CC(C(=O)NCCC1=c2ccccc2=[NH+]C1)N1C(=O)C(C(F)(F)F)Nc2ccccc21,0
+CCN1C(COc2ccc(C(C)(C)C)cc2)NNC1SCc1cc(=O)c2cc(C)cc(C)c2[nH]1,0
+CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCc2ccccc2C1,0
+CC(O)C1[NH2+]C2(C(=O)Nc3ccccc32)C2C(=O)N(c3ccc4c(c3)OCCO4)C(=O)C12,0
+CC(OC(=O)C1CC(O)CN1C(=O)C12CC3CC(CC(C3)C1)C2)C(=O)Nc1sccc1C(N)=O,0
+CCC(=O)N1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1,1
+COc1ccc(N2CC[NH+](Cc3c(O)cc(C)c4c3OC(=Cc3ccccc3Cl)C4=O)CC2)cc1,0
+COc1ccc2c(c1)=C1CCNC(C3C(=O)N(c4ccccc4C)C(O)N=C3O)C1[NH+]=2,0
+COc1cc(C2CN3C(=O)CN(CCCO)C(=O)C3(C)C3[NH+]=c4ccccc4=C23)ccc1OC(C)C,0
+CC(C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCCC1c1ccc2c(c1)OCCCO2,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH+]3CCC(O)C3)CC(c3ccccc3)N12,0
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+CC12CCC3C(CCC4(O)CC(O)CCC34C=NNC(=O)Cc3ccccc3)C1(O)CCC2C1=CC(=O)OC1,0
+CCOC(=O)C1CC[NH+](CCCNC(=O)C2=C(C)NC(C)=C(C(=O)NC)C2c2ccc([N+](=O)[O-])cc2)CC1,0
+O=C(C1CC1)N1CCN(CCN=Cc2c(-c3ccccc3)[nH]n(-c3ccc([N+](=O)[O-])cc3)c2=O)CC1,0
+CCCCCCC(=O)N1CC(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,0
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+CC(C)C1NNC(NC(=O)C2CC(=O)N(CCC3=c4cc(F)ccc4=[NH+]C3)C2)S1,0
+Cc1c(Cl)ccc2sc(N(CCC[NH+]3CCOCC3)C(=O)CSc3ccc(Cl)cc3)nc12,0
+Cc1cc(O)oc2cc(=[NH+]C(=S)NNC(=O)C(C)Oc3ccccc3)ccc1-2,0
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+CCCOc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)c3ccccc3)o2)[NH+]2CCCCCC2)cc1,0
+COc1ccc(C[NH+]2CCNC(=O)C2CC(=O)NCCn2ccc3ccccc32)c(F)c1,0
+CCOCCN(CC(O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C,1
+CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N4CC(C)CC(C)C4)cc3)c2C(=O)NC)C1,0
+O=C(CNC(=O)c1ccc2c(c1)SC(n1cccc1)N2)NCCC1=c2cc(F)ccc2=[NH+]C1,0
+O=C1Nc2cc(C(=O)NCCC3=c4ccccc4=[NH+]C3)ccc2OC1=Cc1ccc(Cl)cc1,0
+CC1=C(C(C)NC(=O)C2CN(C(=O)C3=C(C)NOC3c3cc(C)on3)CC23CC[NH2+]CC3)C(C)N=N1,0
+COc1ccc(OC)c(C(C)[NH2+]C(C)C(=O)NC(=O)Nc2ccc(C)cc2C)c1,0
+NCC(CC1CCCCC1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+O=C(NCCC1=c2ccccc2=[NH+]C1)C1=C2NC(NC(=O)c3ccc4c(c3)OCO4)SC2CC1,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)C1CC2NC(c3ccco3)CC(C(F)(F)F)N2N1,0
+CCCCc1ccc(N2C(=O)C3C(CC(N)=O)NC4(C(=O)Nc5ccc(F)cc54)C3C2=O)cc1,0
+COc1ccc2c(c1)=C(CCN1CC(C(=O)NC3NNC(Cc4ccccc4)S3)CC1=O)C[NH+]=2,0
+CC[NH+](CC)CCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(O)cc1)N2,0
+COc1ccc(CCNC(=O)c2sc3[nH+]c4c(C)cccc4cc3c2N)cc1OC,0
+NC(COc1cncc(-c2ccc3cnc(-c4ccco4)cc3c2)c1)Cc1c[nH]c2ccccc12,1
+O=C(NCCOc1ccccc1F)C1CN(C(=O)CCc2ccccc2)CC12CC[NH2+]CC2,0
+CCOC(=O)c1c(NC(=O)C[NH2+]C2CCCc3ccccc32)sc(C(N)=O)c1C,0
+CN(C)S(=O)(=O)c1cc(NCc2ccsc2)cc(C(=O)NCC2CCC[NH+]3CCCCC23)c1,0
+Cc1cc(O)oc2cc(=[NH+]C(=S)NNC(=O)C(C)Oc3ccc(C(C)(C)C)cc3)ccc1-2,0
+CCCCSc1nc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)c2c3c(sc2n1)CCCC3,0
+O=C(C=C1CSC(NS(=O)(=O)c2ccc(Cl)cc2)N1)NCCC1C=c2ccccc2=[NH+]1,0
+CCCCC(=O)N1CC(C(=O)NCc2cn3ccc(C)cc3[nH+]2)C2(CC[NH2+]CC2)C1,0
+CCC(C)N1C(=O)C2C(CC(C)C)[NH2+]C3(C(=O)Nc4ccc(Br)cc43)C2C1=O,0
+COc1ccc2c(c1)=C1CCNC(C3C(=O)N(c4cccc(C)c4)C(O)N=C3O)C1[NH+]=2,0
+CCOc1ccccc1C1=NC(C(=O)NCCc2ccc(OC)cc2)=CC2=c3ccccc3=[NH+]C12,0
+CC(C)NCC(Cc1ccc(Cl)c(F)c1)C(=O)N1CCN(c2ncnc3c2C(C)SC3)CC1,1
+COc1c(Cl)cc(C(=O)N2CC(C(=O)NC(C)C3=C(C)N=NC3C)C3(CC[NH2+]CC3)C2)cc1Cl,0
+CC(O)c1cc2c(cc1NC(=O)C1=CNN3C1=[NH+]C(c1ccco1)CC3C(F)(F)F)OCO2,0
+CCC1C(=O)Nc2ccc(NC(COc3cncc(-c4ccc5c(c4)C(CC)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc21,1
+CCCOc1ccc(C2CN3C(=O)CN(CCCO)C(=O)C3(C)C3[NH+]=c4ccccc4=C23)cc1OC,0
+CC=C(C)CNc1c[nH+]c2c(c1)C(NC(=O)COC)C(C(=O)OC)N2CCC1=c2ccccc2=[NH+]C1,0
+COc1ccccc1Nc1sc(C(=O)c2cc(C)ccc2C)c(N)c1S(=O)(=O)c1ccc(C)cc1C,0
+CC[NH+](CC)CCn1c(=[NH2+])n(CC(O)COc2ccccc2OC)c2ccccc21,0
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1.Cl,1
+CSCCC1=NC(NC(=O)CSc2[nH]c(Cc3ccc(O)cc3)c(C)[nH+]2)C(C#N)C1C,0
+CC(NCC1([NH+]2CCSCC2)CCCC1)C(=O)NC(=O)NCC(F)(F)F,0
+CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCN(C4CC4)CC3)cn2)cs1)C(F)(F)F,1
+CCc1cccc2c1=[NH+]CC=2C(=O)CSC1NNC(c2ccc(C)cc2)[NH+]1CCC(=O)[O-],0
+CCN(CC)c1ccc(C2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3C3C=CCC32)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C(F)(F)F)c(F)c3)cn2CCN2CCC(F)(F)CC2)CC1,1
+CCOCCN(CC(O)CN1CCCC2(CCN(c3ncnc4[nH]cc(C)c34)C2)C1)S(=O)(=O)c1c(C)cccc1C,1
+O=C(Nc1ccc(Nc2ccccc2)cc1)c1cccc2c1NC(c1ccccc1O)C1CC=CC21,0
+CSCCC(NC(=O)CCCc1ccccc1)C(=O)N1CCC2(CC1)NCCc1[nH]c[nH+]c12,0
+CCCCc1ccc(NC2[NH+]=c3ccccc3=NC2=NS(=O)(=O)c2cccc3nsnc23)cc1,0
+C=CCn1c(SCC(=O)Nc2cc(C(=O)[O-])ccc2C(=O)[O-])nnc1-c1cccc([N+](=O)[O-])c1,0
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,1
+C[NH+](C)CCNC(=O)CN1C(=O)CSC(c2ccc3c(c2)OCO3)c2c(C(C)(C)C)nn(C(C)(C)C)c21,0
+Cc1ccn2c(NC3CCCCC3)c(-c3ccccc3OS(=O)(=O)c3ccc(C(C)(C)C)cc3)[nH+]c2c1,0
+COc1ccc(CN2C(=O)C(=Cc3c(N4CC[NH+](C)CC4)nc4ccc(C)cn4c3=O)SC2=S)cc1,0
+CC1CC(C)C[NH+](CC(C)NC(=O)CCCCC2SCC3NC(=O)NC32)C1,0
+CCOc1ccccc1OC1=C(C)N=[NH+]C1c1ccc(OCC(=O)NN)cc1O,0
+CNc1nc2c(s1)CC1(C)CCC(C(C)C(=O)NCC[NH+]3CCOCC3)C(O)C1C2C,0
+CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CC(C(F)F)C3)cn2)cs1)C(F)(F)F,1
+COc1ccc(NC(=O)c2cc3c(COC(C)=O)cnc(C)c3oc2=[NH+]c2ccc(Cl)cc2)c(OC)c1,0
+CC(C)NCC(Cc1ccc(Cl)c(F)c1)C(=O)N1CCN(c2ncnc3c2C(C)OC3)CC1,1
+Cc1ccccc1C(=O)N1CC(C(=O)NCCC2=c3cc(C#N)ccc3=[NH+]C2C)C2(CC[NH2+]CC2)C1,0
+CCC(c1nnnn1Cc1ccc(F)cc1)[NH+](Cc1ccc(C)cc1)Cc1cc2ccc(C)c(C)c2[nH]c1=O,0
+CC1CC(=O)N2C(NC(NCCC3=c4ccccc4=[NH+]C3)=NC2C2CC=CCC2)N1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21,1
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNC(CCNS(C)(=O)=O)CC2c2ccc(F)c(F)c2)oc1Cl,1
+Cc1cccc(NC(c2ccc(Cl)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)[nH+]1,0
+CC[NH+](CC)CCN(Cc1cc2cc(C)cc(C)c2[nH]c1=O)C(=S)NCc1ccco1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCCC3)CC2)c1-c1cccc(F)c1,1
+CCCCc1ccc(NC2[NH+]=c3ccccc3=NC2=NS(=O)(=O)c2cccc3nsnc23)cc1,0
+O=C(CSC1CCc2ccccc2NC1=O)NCCC1=c2cc(F)ccc2=[NH+]C1,0
+C=C1CCCC2(C)CC3OC(=O)C(C[NH2+]CCC4(c5ccc(OC)cc5)CCOC(C)(C)C4)C3CC12,0
+CC(C)(C)C(C(Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C(c1ccccc1)[NH+]1CCCCC1,0
+Cc1[nH+]c(N)ccc1CNC(=O)C1C=CCn2c(=O)n(C(C[NH2+]C3CCCCC3)C(=O)[O-])c(=O)n21,0
+CC1=C(C=CC(C)C=NNC(=O)C2[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)C(C)(C)CCC1,0
+Cc1ccccc1C1C(C=NCCC2=c3ccccc3=[NH+]C2)=C(c2cccs2)Oc2ccccc21,0
+Cc1cc(=O)oc2c(OCC(=O)N3CC(C(=O)NCCOCCO)C4(CC[NH2+]CC4)C3)cccc12,0
+COc1ccc(CN2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5c(Cl)cccc54)C3C2=O)cc1,0
+CC[NH+](CC)CCn1cnc2c(c1=[NH2+])C(c1ccccc1OC)c1ccc(O)cc1O2,0
+CCOC(=O)c1ccc(NC(=O)C2CC(C(C)O)[NH2+]C23C(=O)Nc2c(C)cc(C)cc23)cc1,0
+Cc1cc(NC(=O)CSc2nc3[nH]nc(C)c3c(=[NH2+])n2-c2ccc(Cl)c(C)c2)no1,0
+COc1ccc(C2Oc3ccc(C)cc3C3=C2C(c2ccc(OC)cc2)N2NC(SC)=NC2=[NH+]3)cc1,0
+COCCn1nnnc1C(c1cc2cc(C)ccc2[nH]c1=O)[NH+]1CCN(c2cc(Cl)ccc2C)CC1,0
+O=C(C[NH+]1CCN(C(=O)c2ccccc2)CC1)Nc1c2c(nc3ccccc13)N(c1cccc(Cl)c1)CC2,0
+Cc1cc(C)c2nc(Cl)c(C3C(C#N)=C(N)Oc4[nH]nc(C)c43)cc2c1,0
+COCCCNC(=O)c1cc2c(=O)n3cc(C)ccc3nc2n(CCc2ccccc2)c1=[NH2+],0
+CCCC[NH+](C)CC(=O)Nc1sc(C(=O)Nc2ccc(C)cc2C)c(C)c1C(=O)OCC,0
+NC(CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12,1
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3(F)F)CC1)c1ccc(Cl)cc1,1
+CC(C)(C)c1ccc(C(=O)c2cccc(NC(=O)CN(c3cccc([N+](=O)[O-])c3)S(C)(=O)=O)c2)cc1,0
+CCCOc1ccc(C2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5cc(C)c(C)cc5c4C)ccc32)cc1,0
+C=CC[NH+](CC=C)CC(C(C)=NNC(N)=[NH2+])C(c1ccccc1)c1c([O-])c2ccccc2oc1=O,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc5c(c4)OC(F)(F)C(F)(F)O5)c3)cc12,1
+C=CCNc1scc(-c2ccco2)[n+]1N=Cc1ccc(O)c(O)c1O,0
+CCc1cccc2c1=[NH+]CC=2C(=O)CSC1NNC(c2ccc(OC)cc2)[NH+]1CCC(=O)[O-],0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(c4ccc(Cl)cc4)C4CCCCN4)CC3)c21,1
+CCCC(=O)Nc1cc(C(=O)NCCCNc2ccc(C)c[nH+]2)ccc1C,0
+CC(C(=O)NC(=O)NC(C)(C)C)[NH+]1CCCC1c1ccc2c(c1)OCCCO2,0
+CC[NH+](CC)CCCN1C(=O)C(O)=C(C(=O)c2ccc3c(c2)CC(C)O3)C1c1ccc(C(C)C)cc1,0
+Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1C(=NNc1ccc(F)cc1)CCC2,0
+NC(COc1cncc(-c2ccc3c(c2)C(F)(F)C(=O)N3)c1)Cc1c[nH]c2ccccc12,1
+CCC1CC2=c3ccccc3=[NH+]C2C(c2c([O-])[nH]c(=S)n(-c3ccc(OC)cc3)c2=O)[NH2+]1,0
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,1
+COc1ccc(F)c(CN2CCCC(O)(C[NH+](C)CCC(N)=O)C2=O)c1,0
+CS(=O)(=O)N1CCN(Cc2cc3nc(-c4cccc5[nH]ncc45)nc(N4CCOCC4)c3s2)CC1,1
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC(=O)N3)C2CC21)c1ccc(Cl)cc1,1
+COc1ccc(C)cc1NC(=O)C(c1ccccc1)[NH+]1CCN(S(=O)(=O)c2ccc(F)cc2)CC1,0
+CC(O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1,1
+C=CC[NH+]1CCN(c2nc(SCc3ccc([N+](=O)[O-])cc3)nc3sc4c(c23)CC(C)(C)OC4)CC1,0
+CC1=CC(NC(=O)CSC2[NH+]=c3ccccc3=C3NC(c4cccc([N+](=O)[O-])c4)NN32)N=N1,0
+COc1ccc(CNC[NH2+]CC(CO)C2(Cc3ccccc3)CCOC(C)(C)C2)cc1OC,0
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)O1)C(=O)NC(=O)NC1CCCCC1,0
+COc1ccc(Cc2noc(C[NH+](C)CC3([NH+]4CCCCC4)CCCCC3)n2)cc1OC,0
+O=C(NN=CC1=c2ccccc2=[NH+]C1)C1C=C(c2cccc(OCc3ccc(Cl)cc3)c2)NN1,0
+Cc1cc(O)c(C[NH+](CC(C)C)CC(C)C)c2c1C(=O)C(=Cc1cc(Br)cc3c1OCOC3)O2,0
+C=CCSc1nnc(NC(=O)CSC2N=[NH+]C(NN=Cc3ccc(O)cc3)=N2)s1,0
+CCOC(=O)c1ccc(NC2[NH+]=c3ccccc3=[NH+]C2=NS(=O)(=O)c2cc(C)ccc2C)cc1,0
+COc1cc(N2C(=O)C(C3NCCC4=c5ccccc5=[NH+]C43)C(O)NC2O)cc(OC)c1OC,0
+Cc1nn(C)c(C)c1C[NH+]1CCN(CC(=O)Nc2sc(C(N)=O)c(C)c2C(=O)OC(C)C)CC1,0
+C=C(C)c1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN(C)C)CC1,1
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4c[nH]c5cc(F)ccc45)cnc3-c3ccoc3)cc12,1
+COCCNC1=C(c2nc3ccccc3s2)C([NH3+])C(C(=O)c2ccc(OC(F)F)cc2)S1,0
+Cc1ccccc1C1C(C=NCCC2=c3ccccc3=[NH+]C2)=C(c2cccs2)Oc2ccccc21,0
+CCCCNc1[nH+]c2c(s1)CC1(C)CCC(C(C)C(=O)NCCN3CCOCC3)C(O)C1C2C,0
+COc1ccc(OC)c(NC(=O)C2CC(CC(C)C)[NH2+]C23C(=O)Nc2c(Cl)cc(C)cc23)c1,0
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CC(=O)Nc5ccccc5)cc4)c3n2)c1,1
+COc1ccc(S(=O)(=O)N2CCCC2C(=O)N(CCC[NH+](C)C)c2nc3ccc(C)cc3s2)cc1,0
+CC1c2c(O)cc(O)cc2OC(=O)C1CC(=O)NCCC1=c2ccccc2=[NH+]C1,0
+Cc1ccc(CC2CCC[NH+](CCC(=O)Nc3sccc3C(N)=O)C2)cc1,0
+COc1ccc(S(=O)(=O)N2CCN(C(C)c3nc(Nc4c(C)cccc4C)c4ccccc4n3)CC2)cc1,0
+CC(C)=C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+CCNc1cc(C=Cc2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)ccn1,1
+CC1=C(C)C([NH2+]CC2(C)CCCC3(C)c4ccc(C(C)C)cc4CCC23)N(CC2CCCO2)C1=O,0
+CCc1cccc2c1=[NH+]CC=2C(=O)CSC1NNC(c2ccc(OC)cc2)[NH+]1CCC(=O)[O-],0
+CC(C)NCC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2C(C)SC3)CC1,1
+CC[NH+]1CCN(C(c2cccs2)C(C)NC(=O)C(=O)NCC[NH+](C)C)CC1,0
+CCN(CCC#N)c1ccc(C[NH2+]C(C)C(O)c2ccc(O)cc2)c(C)c1,0
+CCOc1ccccc1N1C(=O)C(C2NCCC3=c4ccccc4=[NH+]C32)C(O)=NC1O,0
+COc1ccc(C(CNC(=O)C2CN(C(=O)C3CCC3)CC23CC[NH2+]CC3)[NH+]2CCCC2)cc1,0
+CCCOc1ccc(C=CC(=O)Nc2ccc(C[NH+]3CCSCC3)cc2C)cc1OC,0
+Cc1ccc(CN2c3ccccc3C(=O)C(=CNc3ccc4c(c3)N3CC[NH+]=C3S4)S2(=O)=O)cc1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccccc2)oc1Cl.O=C(O)C(O)C(O)C(=O)O,1
+Cc1ccc2[nH]cc(CCNC(=O)C3CN(C(=O)C4CC=CCC4)CC34CC[NH2+]CC4)c2c1,0
+CCC(CC)C(=O)N1CC(C(=O)NCCC2=c3cc(C#N)ccc3=[NH+]C2C)C2(CC[NH2+]CC2)C1,0
+CCC1(c2ccc(NC(=O)C(=O)NCCC3=c4ccccc4=[NH+]C3)cc2)CCC(=O)NC1=O,0
+COc1ccc(CN2CC(=O)N3CC(c4ccccc4OC)C4=c5ccccc5=[NH+]C4C3(C)C2=O)cc1OC,0
+CCC(C)c1ccc2oc(-c3cc(NC(=O)COc4c(C)cc(C)cc4[N+](=O)[O-])ccc3Cl)nc2c1,0
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+C=CCNc1[nH+]c2c(s1)CC1(C)CCC(C(C)C(=O)NC3CC3)C(O)C1C2C,0
+O=C1[NH+]=c2ccccc2=C1NNc1ccc([N+](=O)[O-])cc1S(=O)(=O)Nc1ccc(Cl)cc1,0
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+CCC(c1nnnn1C(C)(C)C)N(Cc1cc2cc3c(cc2[nH]c1=O)OCO3)CC1CCCO1,0
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+Cc1cc(OCCCC(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)ccc1Cl,0
+CC1OC2CC(=O)OC2C2=C1C(=O)c1cc(C3CC(N(C)C)C(O)C(C)O3)ccc1C2=O,1
+O=C(C[NH+]1CCc2sccc2C1c1cccs1)NCC(=O)Nc1ccc(F)c(F)c1F,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCN)cc21,1
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+COc1ccc(Oc2ccc([N+](=O)[O-])cc2C(=O)N2CC[NH+](C3c4ccccc4-c4ccccc43)CC2)cc1,0
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+CC(C)c1ccc(N2N[NH2+]NC2SCC(=O)C2=CN=C(C(=O)N3CCCC3)C2)cc1,0
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+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1F,1
+O=C(C[NH+]1CCc2c([nH]c3ccccc23)C1c1cc(Cl)cc2c1OCO2)Nc1ccccc1Cl,0
+CCCSc1ccc2c(c1)=[NH+]C(NC(=O)CSC1NC(SCC)=NS1)[NH+]=2,0
+C=CCN1C(CC2=c3ccccc3=[NH+]C2)NNC1SCC(=O)NCc1ccccc1,0
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+CCCC[NH+]1CCC(CNC(=O)C2CN(C(=O)C3CC=CCC3)CC23CC[NH2+]CC3)CC1,0
+NC(COc1cncc(-c2ccc3c(c2)C(=O)C(=O)N3)c1)Cc1c[nH]c2ccccc12,1
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+NC(COc1cncc(-c2ccc3c(c2)C(c2ccccc2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,1
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+COCCN(CC(O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C,1
+COc1ccc(C(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)C2=c3ccccc3=[NH+]C2)cc1,0
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+CC(C(=O)Nc1cc(S(=O)(=O)N2CCCCC2)ccc1Cl)[NH+]1CCCC1c1cccs1,0
+COc1ccc(C2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(F)ccc2F)CC[NH+](C)C4)cc1,0
+COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1C[NH+]1CCc2cc(OC)c(OC)cc2C1C,0
+CCCCC1NNC(NC(=O)C2CC(=O)N(CCC3=c4cc(OC)ccc4=[NH+]C3)C2)S1,0
+CC(C)C(NC(=O)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+C[NH+]1C(CO)CC(CNCc2cnc(N3CCCC3)s2)C1c1ccccc1F,0
+Cc1n[nH]c2ccc(-c3cncc(SCC(N)Cc4c[nH]c5ccccc45)c3)cc12,1
+CC(C)C(Oc1ccccc1)C(=O)N1CC(C(=O)NCCOc2ccccc2F)C2(CC[NH2+]CC2)C1,0
+COC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)cc2)sc2c1CC[NH+](C(C)C)C2,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(F)c(C(F)(F)F)c3)cn2CCN2CCCC2)CC1,1
+CC[NH+]1CCc2c(sc(NC(=O)c3ccccc3S(=O)(=O)CC)c2-c2nc3ccccc3s2)C1,0
+CC(C)(C)C(=O)C1C(C(=O)c2ccc(Cl)cc2)C2(C(=O)Nc3ccccc32)C2c3ccccc3C=C[NH+]12,0
+CCSc1ncccc1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+O=C(NCc1cc2cc(Cl)ccc2[nH]1)C1CC2[NH2+]C(c3ccc4c(c3)OCO4)CC(C(F)(F)F)N2N1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(C(F)(F)F)cc2)oc1Cl.O=C(O)C(O)C(O)C(=O)O,1
+Cc1ccc2c(c1)C(=O)CC1(CC[NH+](CC(=O)Nc3csc(C(F)(F)F)c3-c3ccccc3)CC1)O2,0
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+COCCNC(=O)CSC1NNC(N2CCN(C(=O)CC3=c4ccccc4=[NH+]C3)CC2)S1,0
+O=C1CCc2cc(S(=O)(=O)NC(CC3C=c4ccccc4=[NH+]3)C(=O)Nc3ccc(Cl)cc3)ccc2N1,0
+Cn1cc(-c2cnc3c(-c4csc(C(=O)NC5CCCCC5N)c4)cnn3c2)cn1,1
+CC(C)(C)C(=O)C1C(C(=O)c2cccs2)C2(C(=O)Nc3ccccc32)C2c3ccccc3C=C[NH+]12,0
+CC(=O)Nc1cccc(-n2nnnc2SCC(=O)NC(=O)NC23CC4CC(CC(C4)C2)C3)c1,0
+O=C(COc1ccc(Cl)cc1Cl)Nc1ccc(S(=O)(=O)NC2=[NH+]CCCCC2)cc1,0
+CCOc1cc(C=C2SC(=Nc3nnc(C)s3)N(C)C2=O)ccc1OC(CC)C(=O)[O-],0
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+CC(C)(CC1CC1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
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+COc1ccc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c(OC)c1,0
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+COc1ccc(C(CNC(=O)NNc2cccc(C#N)c2)[NH+]2CCCCC2)cc1,0
+O=P1(c2ccccc2O)N[NH+]2CC3C=C(O)C(S(=O)(=O)Oc4ccccc4)=CC3CC2CO1,0
+CCC1CCCC[NH+]1CCCNC(=O)CN(c1cccc(Cl)c1C)S(=O)(=O)c1ccc(C)cc1,0
+Cc1ccc(S(=O)(=O)N2CCCC2C(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,0
+C=C1CCC2C(C)(C(=O)NCCCCCC[NH3+])CCCC2(C)C1CCc1ccoc1,0
+COC(=O)CCC1CN(CC(Cl)=Cc2ccccc2)CCC1[NH+]1CCN(c2ccccc2F)CC1,0
+Cc1cccc2c1NC(=O)C21C(C(=O)c2cccc([N+](=O)[O-])c2)C2(C(=O)Nc3ccccc32)C2CCC[NH+]21,0
+CCCCOc1ccc(Nc2[nH+]cnc(N(CC)c3cccc4ccccc34)c2N)cc1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCN)cc21,1
+COc1ccc(N2C(=O)C3C(CC4=c5ccccc5=[NH+]C4)NC4(C(=O)Nc5ccccc54)C3C2=O)cc1,0
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+CC(=O)Nc1ccc(N2CC34C=CC(O3)C(C(=O)NC3CC(C)(C)[NH2+]C(C)(C)C3)C4C2=O)cc1,0
+O=C(Nc1ccc2c(c1)CCC2)c1coc(C[NH+]2CCN(CC(O)Cc3ccccc3)CC2)n1,0
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+N#Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4F)C3)c12,1
+NC(=O)C1CCN(C(=O)CCCNC(=O)N2CCC3=c4ccccc4=[NH+]C3C2)CC1,0
+C=C1CCC2OC(=O)C(C)=C2C2C1C13OC1(CC(C)C3=O)C1OC21C,0
+COc1ccc2nc(NC(=O)C3CCCN(S(=O)(=O)c4ccc5c(c4)oc(=O)n5C)C3)sc2c1,0
+COC(=O)c1ccc(CSc2nc(SCc3ccc(C(=O)OC)o3)c3c(n2)=[NH+]C2CCCCC=32)o1,0
+C=CCNC(=O)NC(=O)C[NH+]1CCCC1C(=O)Nc1cc(Cl)cc(Cl)c1,0
+COc1ccc(NC(=O)NCCCNc2[nH+]c3cc(C)cc(C)c3cc2C#N)cc1,0
+CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC4(CC3)COC4)cn2)cs1)C(F)(F)F,1
+CCCC(C)C(=O)N1CC(C(=O)NCCNC(=O)OC(C)(C)C)C2(CC[NH2+]CC2)C1,0
+O=C(NCCSCc1ccccc1)C1CN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC12CC[NH2+]CC2,0
+Cc1ccc(CC(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)cc1,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(Cl)cc3)c2C(N)=O)C1,0
+COc1ccccc1C1N=C(NCCC2=c3ccccc3=[NH+]C2)NC2NC(C)CC(=O)N21,0
+CC(=O)OC(CC1C(C)OC(=O)C1C)C(C)(O)C1CCC2(O)C3=CC(=O)C4CC(O)C(O)CC4(C)C3CCC12C,0
+Cc1c(C(=O)NNC(=O)c2ccccc2[N+](=O)[O-])oc2c1C(=NNC(N)=[NH2+])CCC2,0
+COc1cccc(C2C(C#N)=C(N)Oc3cc(OC(=O)c4oc5ccc(F)cc5c4C)ccc32)c1OC,0
+CCC(C)(C)NC(=O)C(c1ccc(C)cc1)N(C(=O)CNC(=O)c1cccs1)c1cccc(C)c1C,0
+O=C([O-])C1OC(OC2C(COS(=O)(=O)[O-])OC(CO)C2O)C(OS(=O)(=O)[O-])C(O)C1O,0
+Cc1cc2c(cc3n2CC(C)(C(=O)NC2CCCCCCC2)N(CC[NH+](C)C2CCCCC2)C3=O)o1,0
+O=C1[NH+]=c2ccc(Br)cc2=C(c2ccccc2)C1=C1CC(c2cccc([N+](=O)[O-])c2)NN1,0
+CC(C)(Cc1ccc[nH]1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+CC[NH+](CC)CCCNC(=O)NCCC[NH+]1CCN(C(=O)OC(C)(C)C)CC1,0
+COc1ccc(-n2ncc(Oc3ccc(Cl)c(C)c3)c(Nc3cccc(C(=O)[O-])c3)c2=O)cc1,0
+CCC(C)CC(=O)N1CC(C(=O)NCc2cn3ccc(C)cc3[nH+]2)C2(CC[NH2+]CC2)C1,0
+CCOC(=O)c1ccc(NC(=O)C2CC(C(C)O)[NH2+]C23C(=O)Nc2c(C)cc(C)cc23)cc1,0
+CCOc1ccc2[nH+]c3cc(N=Cc4ccccc4OC)ccc3c(N)c2c1,0
+C[NH+]1CCc2c(sc(-n3cccc3)c2CNC(=O)Nc2cccc(Br)c2)C1,0
+COc1cc(-c2ccc3c(c2)Nc2ccc(CC(=O)Nc4ccc(N5CCOCC5)cc4)cc2NC3=O)ccc1N,1
+CCCCC1CC(C)(c2csc(NCCCNC(N)=S)[nH+]2)OC1=O,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNC(CC(O)CO)CC2c2ccc(Cl)c(Cl)c2)oc1Cl,1
+Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2,0
+CC1CC(=O)Nc2ncnc(N3CCC(c4nc(-c5ccc(F)c(C(F)(F)F)c5)cn4CCN4CCCC4)CC3)c21,1
+O=C1Nc2ccc(NC(COc3cncc(-c4ccc5c(c4)C(=O)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc2C1=O,1
+C=CCNc1[nH+]c2c(s1)CC1(C)CCC(C(C)C(=O)NCCN3CCOCC3)C(O)C1C2C,0
+Cc1ccc(C)n1C1C=CSC1C1C=C([NH+]=c2c(C=O)coc3ccc(F)cc23)N=N1,0
+C=CCN1C(CC2=c3ccccc3=[NH+]C2)NNC1SCC(=O)Nc1ccc(C)cc1C,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(CNC(C)(C)C)c4ccc(C(F)(F)F)c(F)c4)CC3)c21,1
+CC(C)NCC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2C(C)OC3)CC1,1
+Nc1c(S(=O)(=O)c2cccs2)c2[nH+]c3ccccc3nc2n1N=Cc1ccccc1O,0
+CC(C)CSc1nc(O)c(C2[NH2+]CCc3c2[nH]c2ccc(Cl)cc32)c(=O)[nH]1,0
+CC(C)NC(=O)c1ccc(N2CC[NH2+]CC2)c(NS(=O)(=O)c2ccc3c(c2)CCCC3)c1,0
+Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C1CN(C(=O)CCc2ccccc2)CC12CC[NH2+]CC2,0
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+COc1cccc(CNC(=O)CN2C(=O)COc3ccc(S(=O)(=O)N4CCCCCC4)cc32)c1,0
+CCOC(=O)c1c(NC(=O)C[NH2+]CCc2ccc(F)cc2)sc(C(=O)Nc2ccccc2)c1C,0
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1
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+Cc1ccccc1C(=O)NC1NC2=C(S1)C(=O)CC(C(=O)NCCC1=c3ccccc3=[NH+]C1)C2,0
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+CC1=NC2C=CC(C(=O)N3CCC(N4c5[nH+]cccc5NC4C4CCC4)CC3)=CC2=C1C,0
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+CC(C)(C)C(=O)C1C2C(=O)N(c3ccccc3Cl)C(=O)C2C2c3ccccc3C=NN12,0
+CC(C)(C)OC(=O)NCCNC(=O)C1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC12CC[NH2+]CC2,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3F)CC1)c1ccc(Cl)cc1,1
+COc1cc(CNCCc2nc(C)c3c(n2)CCC3)ccc1OCC(O)C[NH+](C)C(C)C,0
+CCOc1ccc(CNC(=O)C(C)C2CCN(C(=O)C3C=c4cc(Cl)ccc4=[NH+]3)CC2)cc1OC,0
+COc1ccc(CNC[NH2+]CC(CO)C2(Cc3ccccc3)CCOC(C)(C)C2)cc1OC,0
+CCC(C)NC(=O)C(CCSC)NC(=O)C1CC2=c3ccccc3=[NH+]C2C2c3ccccc3C(=O)N12,0
+COc1ccc2c(c1)=C(CCNC1NN(c3ccc(F)cc3)NC1C(C)=O)C[NH+]=2,0
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1
+CCc1ccc(C(C)NC(=O)C2CN(C(=O)c3cc(C)nn3C(C)(C)C)CC23CC[NH2+]CC3)cc1,0
+CCn1cc(C=C2Oc3c(CN4CCN(c5cccc[nH+]5)CC4)c(O)cc(C)c3C2=O)c2cc(OC)ccc21,0
+O=C(NCCc1ccccc1)C1CSC2(CCN(C(=O)Nc3ccccc3Br)CC2)[NH2+]1,0
+CC[NH+]1CCc2c(sc3c2CN(C(=O)Nc2cc(C)ccc2C)C(c2ccccc2)c2cccn2-3)C1,0
+Cc1ccc2c(c1)=C(CCNC(=O)c1ccc(NC(=O)C3NSc4ccccc43)cc1)C[NH+]=2,0
+C[NH+](C)C(CNC(=O)CCCCC1SCC2NC(=O)NC21)C1CCCCC1,0
+NC(=O)C1CCC[NH+]1Cc1cccc(NC(=O)CCCCCc2cccs2)c1,0
+C[NH+](C)C(c1ccc(Cl)cc1)c1nnnn1C(C=Cc1ccc(Cl)cc1Cl)C(C)(C)C,0
+COc1ccc(OC)c(NC(=O)C2CC(CC(N)=O)[NH2+]C23C(=O)Nc2c(Cl)cc(C)cc23)c1,0
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+CC(C)c1ccc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(C(C)CCc4ccccc4)CC(=O)N32)cc1,0
+COc1ccc(OCC(O)C[NH+]2CCCC(CCC(N)=O)C2)c(C(C)(C)C)c1,0
+COc1c(C(=O)N2CC(C(=O)NC(C)c3c(C)n[nH]c3C)C3(CC[NH2+]CC3)C2)csc1Cl,0
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+COc1ccccc1N1C(=O)C(C2NCCC3=c4ccccc4=[NH+]C32)C(O)=NC1O,0
+Cc1nc2nc(N)nn2c(C)c1CCC(=O)NCC(C)[NH+]1CCC(C)CC1,0
+CC1=C(C#N)c2nc(N)c(C#N)c(C)c2C1=Cc1ccc(-c2ccc(C(=O)O)c(Cl)c2)o1,1
+CCC(C)C(=O)N1CC(C(=O)NCC(c2ccc(OC)cc2)[NH+]2CCCC2)C2(CC[NH2+]CC2)C1,0
+CCOc1cccc(N2C(=O)C(=Cc3cc([N+](=O)[O-])c(OC)cc3OC)C([O-])=NC2=S)c1,0
+Cc1cccc(N2CC[NH+](C(C3C=c4ccc(C)c(C)c4=[NH+]C3=O)C3N=NNN3C(C)(C)C)CC2)c1C,0
+COc1ccc(NC(=O)C2(N(Cc3ccco3)C(=O)CC3C(c4c(C)[nH]c5ccccc45)C3(C)C)CC[NH+](C)CC2)cc1,0
+Cc1c(NCCN2CCCC2)cc(C(=O)CCC(F)(F)F)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+O=C([O-])CCC(=O)N1NC(=C2C(=O)[NH+]=c3ccc(Cl)cc3=C2c2ccccc2)CC1c1ccccc1,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(c4ccc(Cl)cc4)C4CCCCN4)CC3)c21,1
+CC(C)(Cc1ccccn1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+Cc1ccc(S(=O)(=O)N2CCCC(C(=O)Nc3sc4c(c3C(N)=O)CC[NH+](C(C)C)C4)C2)cc1,0
+Cc1ccc(-c2nc(N3CCN(C(=O)Nc4ccccc4Br)CC3)c(C(C)C)c(C)[nH+]2)cc1,0
+COc1cc(OC)cc(C(=O)N2CC(C(=O)NC(C)c3nc4ccc(C)cc4[nH]3)C3(CC[NH2+]CC3)C2)c1,0
+COCC(=O)NC1c2cc(NC(C)CCC3=c4ccccc4=[NH+]C3)c[nH+]c2N(C)C1C(=O)OC,0
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+CC1CCCC(C)[NH+]1CCCNC(=O)CN1C(=O)COc2ccc(S(=O)(=O)N3CCCCCC3)cc21,0
+CC[NH+](CC)CCCC(C)NC(=O)C(=O)Nc1c(C(=O)Nc2cccc(C)c2)oc2ccccc12,0
+CCOc1ccc(C(CNC(=O)c2ccc(S(=O)(=O)c3ccc(Cl)cc3)o2)[NH+]2CCCCC2)cc1,0
+CCN(CC)C(=O)CSc1nc(N2CC[NH+](CC(=O)N(C)C)CC2)c2c3c(sc2n1)COC(C)(C)C3,0
+CCc1[nH]c(C)cc(=[NH+]CC(=O)C2(O)CCC3C4CCC5=CC(=O)CCC5(C)C4CCC32C)c1O,0
+Cc1cccc(NC(=NC(=O)c2cccc(Br)c2)NCCC2=c3ccccc3=[NH+]C2)c1,0
+CCCCCOc1ccc(C2c3c(oc4ccc(Br)cc4c3=O)C(=O)N2CC[NH+](C)C)cc1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCC(N)Cc3ccccc3)c21,1
+COc1cccc(C(=O)N=C(NCCC2=c3ccccc3=[NH+]C2)Nc2ccc(Cl)cc2C)c1,0
+CCN(c1nc[nH+]c(Nc2ccc(Oc3ccccc3)cc2)c1N)c1cccc2ccccc12,0
+CC(C)(C)c1ccc(C2NNC(S)N2N=CC2=c3ccccc3=[NH+]C2)cc1,0
+CCC(C)NC(=O)C(CC(C)C)NC(=O)C1CC2=c3ccccc3=[NH+]C2C2c3ccccc3C(=O)N12,0
+Cc1cc(CC(C)(C)C2C(=O)Nc3ccc(-c4cncc(OCC(N)Cc5c[nH]c6ccccc56)c4)cc32)oc1C,1
+Cc1cc(C)nc(NC(=NC(=S)Nc2ccc(F)cc2)NCCC2=c3ccccc3=[NH+]C2)n1,0
+CSc1ccccc1NC(=O)C[NH+](C)CC(=O)NC(C)c1ccc2c(c1)CCCC2,0
+COC(=O)c1ccc(C2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(Cl)c(C)c4)ccc32)cc1,0
+O=c1c(C2[NH2+]CCc3c2[nH]c2ccccc32)c(O)[nH]c(=S)n1-c1ccc(Br)cc1,0
+Cc1cc(-c2cn(CCN(C)C)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccc1F,1
+Cc1onc(-c2ccccc2)c1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CC(C)NC(=O)N1CC2CC(C1)c1ccc(-c3ccccc3C[NH+]3CCOCC3)c(=O)n1C2,0
+COc1ccc(C2CN3C(=O)CN(CCc4ccc(F)cc4)C(=O)C3(C)C3[NH+]=c4ccccc4=C23)cc1,0
+CC(NC(=O)C1CC2=c3ccccc3=[NH+]C2C2c3ccccc3C(=O)N12)C(=O)NCCC1=CCCCC1,0
+CC(=O)NCCC1CC(c2ccc(F)c(F)c2)C(NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CN1,1
+CSC1=CC2CC3COP(=O)(c4ccccc4O)N[NH+]3CC2C=C1S(=O)(=O)Oc1ccccc1,0
+O=c1[nH]c([O-])nc2c1n(CCCCOP(=O)([O-])[O-])c(=O)n2CC(O)C(O)C(O)CO,0
+Cc1cc(C)c2[nH]c(=O)c(C(c3nnnn3CC3CCCO3)[NH+]3CCCC4(CCCCC4)C3)cc2c1,0
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1
+CC[NH+]1CCCC1CNC(=O)CN1C(=O)C(=Cc2ccc(OC)c(Br)c2)Oc2ccccc21,0
+CCCc1[nH]n(-c2ccc([N+](=O)[O-])cc2)c(=O)c1C=NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+O=C1CCc2cc(S(=O)(=O)NC(CC3C=c4ccccc4=[NH+]3)C(=O)Nc3ccc(Cl)cc3)ccc2N1,0
+Nc1nc(CCC2=[NH+]C3CC(c4ccc(F)cc4)CNC(=O)C3N2)cs1,0
+CCCC(O)C[NH+](CC(=O)N1CCc2sccc2C1COc1ccc(F)cc1)CC1CC1,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)C1,0
+CCOCCN(CC(O)CN1CCCC2(CCN(c3ncnc4[nH]nc(C)c34)C2)C1)S(=O)(=O)c1c(C)cccc1C,1
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CC(=O)Nc5cccc(F)c5)cc4)c3n2)c1,1
+CC(OC(=O)c1cc([N+](=O)[O-])ccc1Sc1ccc(Cl)cc1)C(=O)Nc1ccc(C(N)=O)cc1,0
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1
+CCC1CC2=c3ccccc3=[NH+]C2C(c2c([O-])n(-c3ccc(OC)cc3)c(=O)[nH]c2=O)[NH2+]1,0
+NC(COc1cncc(-c2ccc3cnc(-c4ccncc4)cc3c2)c1)Cc1c[nH]c2ccccc12,1
+CCn1cc(C(O)C[NH+]2CCC3(CC2)CC(O)c2cc(O)ccc2O3)c2ccccc21,0
+O=C(NCC12CC3CC(CC(C3)C1)C2)C1=CC2=[NH+]C(c3ccco3)CC(C(F)(F)F)N2N1,0
+CC[NH+](CC)CCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1cc([N+](=O)[O-])ccc1O)N2,0
+O=C(CC1CSC(NC(=O)c2ccco2)N1)NCCC1=c2ccccc2=[NH+]C1,0
+Cc1ccc2cc(C[NH+](C3CCCCC3)C(c3nnnn3C3CCCCC3)C(C)C)c(=O)[nH]c2c1C,0
+COc1ccc(NC(=O)C2CC(C(C)O)[NH2+]C23C(=O)Nc2c(C)cc(Cl)cc23)cc1,0
+Cc1n[nH]c2cnc(-c3cc(OCC(N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,1
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5ccccc5)cc4)c3n2)c1,1
+CCCCn1c(C[NH+](C)Cc2ccccc2N2CCCC2)nc2cc(S(N)(=O)=O)ccc21,0
+Nc1c(Nc2cc[nH+]cc2)ncnc1Sc1cccc2cccnc12,0
+CC[NH+]1CCN(CCCn2c(=O)c3c(nc4n(-c5cc(Cl)ccc5C)c(C)cn34)n(C)c2=O)CC1,0
+CC[NH+]1CCN(C(c2cccs2)C(C)NC(=S)Nc2cccc(Cl)c2C)CC1,0
+CCc1c(C(=O)N2CC[NH+](C34CC5CC(CC(C5)C3)C4)CC2)c(=O)cc(C)n1Cc1ccc(OC)cc1,0
+CC12OC(CC1(O)CO)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)CNC4=O,1
+CC1=CC(C)(C)N2C(=O)C3(C(C#N)=C(N)Oc4oc5ccccc5c(=O)c43)c3c(C)c(C)cc1c32,0
+CCC1(C)CC(OC(=O)CSc2n[nH]c(N)n2)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O,0
+NC(=O)C1CN(C(=O)CCC2=c3ccccc3=[NH+]C2c2ccc(F)cc2)c2ccccc2O1,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)C1NNSC1NC(=O)N1CCOCC1,0
+O=C1C2C(CC3=c4ccccc4=[NH+]C3)NC3(C(=O)Nc4c(Cl)cccc43)C2C(=O)N1c1ccc(F)cc1,0
+Cc1ccc(C)c2nc(O)c(C(c3nnnn3C(C)(C)C)[NH+]3CC=C(c4ccc(F)cc4)CC3)cc12,0
+CCOCCN(CC(O)CN1CCCC2(CCN(c3ncnc4[nH]cc(C)c34)C2)C1)S(=O)(=O)c1c(C)cccc1C,1
+COc1ccccc1N1CCN(C(=O)CCC23CCC(C)(O)CC2C(C)(C)CC3[NH3+])CC1,0
+CCCc1ccc(C(=O)C2C(C(=O)C(C)(C)C)[NH+]3C=Cc4ccccc4C3C23C(=O)Nc2ccccc23)cc1,0
+C=CCN1C(CC2=c3ccccc3=[NH+]C2)NNC1SCC(=O)Nc1c(C)cccc1C,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)c2ccccc2SCC(=O)N2CCc3ccccc32)C1,0
+COc1ccc2c(c1)=C(CCNC(=O)CC1C(=O)Oc3cc(O)cc(O)c3C1C)C[NH+]=2,0
+Cc1cccc(CC(=O)N2CC(C(=O)NCCC[NH+](C)C)C3(CC[NH2+]CC3)C2)c1,0
+Cc1cc(Br)ccc1SCC(=O)Nc1cccc(C[NH+]2CCCC2C(N)=O)c1,0
+COC1(C)CN(c2cnc(C(=O)Nc3csc(-c4nncn4C(C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)C1,1
+NC(=O)c1c(NC(=O)C[NH+]2CCCC2c2ccc3c(c2)OCCO3)sc2c1CCC2,0
+COc1ccc(NC(=O)C2CC(CCSC)[NH2+]C23C(=O)Nc2c(C)cc(C)cc23)cc1,0
+COC(=O)C1C(NC(C)=O)c2cc(NCC=CC(C)C)c[nH+]c2N1CCC1=c2ccccc2=[NH+]C1,0
+CCCCCOc1c(Cl)cc(C(=O)Nc2sc3c(c2C(=O)OCC)CC[NH+](C)C3)cc1Cl,0
+CCOC(=O)c1c(C)oc(NC(=O)C(CC)Sc2nnc3cc(C)c4cccc(C)c4n23)c1C(N)=O,0
+CC(NC(=O)C1CN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC12CC[NH2+]CC2)C(C)(C)C,0
+CC(C)(Cc1cccnc1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+CC1=C(CCC(=O)NCCC2=c3cc(Cl)ccc3=[NH+]C2)C(O)n2ncnc2N1,0
+O=C1CC(c2ccccc2Oc2cccc(Cl)c2)C(n2cncn2)C(O)=C1C1[NH2+]CCc2ccccc21,0
+COc1ccc(OC)c(C2c3[nH]c4ccccc4c3CC[NH+]2CC(=O)Nc2ccccc2-n2cccc2)c1,0
+COc1ccc(CN2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5ccc(Cl)cc54)C3C2=O)cc1,0
+CCCC[NH+]1CCC(CNC(=O)C2CN(C(=O)C3CC=CCC3)CC23CC[NH2+]CC3)CC1,0
+COC(=O)C1=C(C)N=C2SC=C(C=C([O-])NCCCN3CCCC3=O)N2C1c1ccccc1,0
+Cc1cc(O)c(C[NH+]2CC(C)CC(C)C2)c2c1C(=O)C(=Cc1cc(Br)cc3c1OCOC3)O2,0
+CCCC(c1nnnn1C1CCCCC1)[NH+](Cc1cc2ccc(C)c(C)c2[nH]c1=O)C1CCCCC1,0
+CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(F)CC3)cn2)cs1)C(F)(F)F,1
+CNC(=O)CC1CC(c2ccc(F)c(F)c2)C(NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CN1,1
+COCCNC1=C(c2nc3ccccc3s2)C([NH3+])C(C(=O)c2ccc(OC(F)F)cc2)S1,0
+CCOC(=O)c1cc([N+](=O)[O-])sc1NC(=O)C1CCCCN1S(=O)(=O)c1cccs1,0
+CC1CN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC(C)O1,1
+CCOc1ccc2c(c1)=CC(C(C1N=NNN1C(C)(C)C)[NH+]1CCN(c3cccc(C)c3C)CC1)C(=O)[NH+]=2,0
+COCCn1nnnc1C(c1cc2cc(C)cc(C)c2[nH]c1=O)[NH+]1CCN(c2cc(Cl)ccc2C)CC1,0
+Cc1cc(OCCCC(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)ccc1Cl,0
+CCONCC(c1ccc(S(=O)(=O)Oc2ccccc2)cc1)N1CC[NH2+]C(c2ccccc2O)C1,0
+CSc1ccc(CC2(CCC(=O)N3CCCC3C3[NH+]=c4ccc(F)cc4=[NH+]3)CCC(=O)N2)cc1,0
+COC(=O)c1c(NC(=O)C[NH+]2CCC3(O)CCCCC3C2c2ccc(F)cc2)sc(C)c1C,0
+CC[NH+](CC)C(CNC(=O)CCCCC1SCC2NC(=O)NC21)c1cccc(OC)c1,0
+CCCNC(=O)c1ccc(N2C(=O)C3CC4=c5ccccc5=[NH+]C4C(c4cccc(OC)c4)N3C2=O)cc1,0
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)C(C)c1nc(N)nc(N(C)C)n1,0
+Nc1nc(C[NH+]2CCCC(C(=O)NC3CC3)C2)nc2sc3c(c12)CCCCC3,0
+O=C(CCc1nc(C2=CC[NH+](Cc3cccc(Cl)c3)CC2)no1)Nc1cccc(C(F)(F)F)c1,0
+CCCC1CC(C(=O)NC(C(C)O)C2OC(SC)C(O)C(O)C2O)[NH+](C)C1,0
+CC1CCCC[NH+]1CCCN(Cc1ccc2c(c1)OCO2)C(=O)Nc1cccc(C(F)(F)F)c1,0
+CCOc1cc(C=C2SC(=Nc3nnc(C)s3)N(C)C2=O)ccc1OC(CC)C(=O)[O-],0
+c1ccc(-c2cc3cnc(-n4ccnc4)nc3nc2-c2ccc(CN3CCC(c4nnc(-c5ccccn5)[nH]4)CC3)cc2)cc1,1
+COc1ccc(OC)c(NC(=O)C2CC(CC(C)C)[NH2+]C23C(=O)Nc2c(C)cc(C)cc23)c1,0
+CC(c1cccc(S(N)(=O)=O)c1)[NH+](C)CCC(=O)Nc1sc2c(c1C#N)CCCC2,0
+COCCn1nnnc1C(c1cc2ccc(OC)cc2[nH]c1=O)[NH+]1CCN(c2cc(Cl)ccc2C)CC1,0
+CC(=O)Nc1ccc(C=CC(=O)c2sc(=NC(=S)NC(=O)c3ccccc3Cl)[nH]c2C)cc1,0
+Cc1ccc(-[n+]2c(SCC(=O)NCCC3=CCCCC3)nc3n[nH]c(C)c3c2N)cc1Cl,0
+CC1=C(C(=O)N2CC(C(=O)NCCc3c[nH]c4ccc(C)cc34)C3(CC[NH2+]CC3)C2)C(C)ON1,0
+NC(=O)c1c(Nc2nc(NCCCc3ccccc3)nc3c2cnn3-c2ccccc2)sc2c1CCC2,0
+COC(=O)c1c(NC(=O)C[NH+](C)C(C)c2cccc(S(N)(=O)=O)c2)sc2c1CCCC2,0
+COc1ccc(S(=O)(=O)N2CCCC2C(=O)N(CC[NH+](C)C)c2nc3c(F)cc(F)cc3s2)cc1,0
+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C(F)(F)F)c(F)c3)cn2CCN2CCC(F)C2)CC1,1
+CCCCN1C(=O)C(C(=O)NN=C(C)C2C(=O)[NH+]=c3ccccc3=C2O)C(O)c2ccccc21,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4c[nH]c5ncccc45)cnc3-c3ccoc3)cc12,1
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,1
+C[NH+](C)CCNC(=O)CC1c2nc(NC(=O)CC(C)(C)C)sc2CC2C(C)(CO)C(O)CCC12C,0
+Cc1ccc(F)c(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c1F,0
+CC(=O)OC1(C(C)=O)CCC2C3C=C(C)C4=CC(OC(=O)CC[NH+]5CCCCC5)CCC4(C)C3CCC21C,0
+CC(=O)c1ccc(NC(=O)CSC2=C(C#N)C(c3ccc4c(c3)OCO4)C3=C([O-])CCCC3=N2)cc1,0
+C[NH+]1CCN(c2ccc(C=Nc3sc4c(c3C#N)CCC(C(C)(C)C)C4)cc2[N+](=O)[O-])CC1,0
+C=CCNC(=O)c1ccccc1N1C(=O)C2CC3=c4ccccc4=[NH+]C3C(c3cccc(OC)c3)N2C1=O,0
+CC1CC(=O)Nc2ncnc(N3CCC(c4nc(-c5ccc(F)c(C(F)(F)F)c5)cn4CCN4CCCC4)CC3)c21,1
+COc1cccc(C2CC(=O)N(c3ccc(F)c(F)c3)c3c2sc(=O)n3C)c1,0
+[NH2+]=C1C(=Cc2ccc(Sc3cccc4ccccc34)o2)C(=O)N=C2SC(c3ccccc3)=NN12,0
+CCC(C)CC(=O)N1CC(C(=O)NCc2cn3cc(C)ccc3[nH+]2)C2(CC[NH2+]CC2)C1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21,1
+CC(C)NCC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2C(C)SC3)CC1,1
+C[NH+]1CCc2c(sc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)c2C(N)=O)C1,0
+Cc1noc(C)c1C(=O)N1CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C2(CC[NH2+]CC2)C1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1-c1ccc(F)cc1,1
+Cc1ccc(N2C(N3CCCC3)=[NH+]NC2SCC(=O)NC2OC(C)C3=C2C(=O)NNC3C)cc1,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4c[nH]c5ncccc45)cnc3-c3ccoc3)cc12,1
+NC1(CNC(=O)c2ccc(Cl)cc2)CCN(c2ncnc3[nH]cc(Cl)c23)C1,1
+Cc1cc(-c2cn(CCNCC3CC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccc1F,1
+O=C(NC(CC1=c2ccccc2=[NH+]C1)C(=O)NC1CCCC1)C1Cc2ccccc2CN1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)C2(CC[NH2+]CC2)C1,0
+Cc1oc2ccc(O)c(C[NH+]3CCCCCC3)c2c1C(=O)Nc1cccc(C(F)(F)F)c1,0
+CC[NH+](CC)CCN(C(=O)c1ccccc1Oc1ccccc1)c1nc2cc3c(cc2s1)OCCO3,0
+CC(C)(CO)[NH2+]CC(=O)NCCNc1ccc(C(F)(F)F)cc1[N+](=O)[O-],0
+Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCS(=O)(=O)CC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(C(F)(F)F)cc2)oc1Cl.O=C(O)C(O)C(O)C(=O)O,1
+COc1ccc(OCC(=O)NN=C2C(=O)N(C[NH+]3CC4(C)CC3CC(C)(C)C4)c3ccccc32)cc1,0
+N#Cc1cc(Cl)cc(Oc2cc(OCC3[NH+]=Nc4nc(N)ccc43)cc(F)c2Cl)c1,0
+CCCCC(C)C(=O)N1CC(C(=O)NCCC2=c3cc(C#N)ccc3=[NH+]C2C)C2(CC[NH2+]CC2)C1,0
+COc1cccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c1,0
+COc1ccc2c(c1)=C(CCNC(=O)c1cccc(N3C(=O)C4Cc5ccccc5CN4C3=O)c1)C[NH+]=2,0
+CCc1cc(C(Nc2cc(C)cc[nH+]2)c2ccc(F)cc2)c(NC(=O)c2ccco2)s1,0
+CC(C)C(NC(=O)C1CN(C(=O)C2CC=CCC2)CC12CC[NH2+]CC2)C(=O)NC(C)(C)C,0
+O=C(CC1CSC(NC(=O)Nc2cccc(Cl)c2)N1)NCCC1=c2ccccc2=[NH+]C1,0
+Cc1sc2nc(C(C)Sc3nnc(-c4ccco4)n3N)[nH]c(=O)c2c1C,0
+COc1ccccc1C(=O)NC(=Cc1cccc([N+](=O)[O-])c1)C(=O)NCCC1=c2ccccc2=[NH+]C1C,0
+CC(C)(Cc1ccc[nH]1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+O=C(Nc1ccc(C2C=CNN2)cc1)C1CCC[NH+](Cc2cc(C#CCO)cs2)C1,0
+CCOC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2c1CC[NH+](C)C2,0
+O=S(=O)(c1ccc2c(c1)C1C=CCC1C(c1cc(Br)ccc1O)N2)N1CCOCC1,0
+CC(C)=C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+CC([NH2+]C(c1ccccc1)c1cccs1)C(=O)N1CC(=O)Nc2ccccc21,0
+CCOc1ccccc1C(=O)C1C2CCC[NH+]2C2(C(=O)Nc3c2ccc(C)c3C)C12C(=O)Nc1ccccc12,0
+CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1cccc(OC)c1,1
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)c3n2)c1,1
+CC1CC[NH+](CC2C[NH+]3CCC2CC3CNC(=S)NCC[NH+]2CCOCC2)CC1,0
+O=C1Nc2ccc(NC(COc3cncc(-c4ccc5c(c4)C(Cc4ccccc4)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc2C1Cc1ccccc1,1
+NS(=O)(=O)c1ccc(CCNC(=O)C2CC(=O)N(CCC3=c4cc(F)ccc4=[NH+]C3)C2)cc1,0
+COc1ccc(CNC(=S)NNC2=NC(=O)C3C(=[NH+]2)c2ccccc2CC32CCCCC2)cc1,0
+Cc1ccc2[nH]cc(CCNC(=O)C3CN(C(=O)C4(C)CCCCC4)CC34CC[NH2+]CC4)c2c1,0
+CC[NH+]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(OC)cc3)c2C(N)=O)C1,0
+COc1ccc(C(CNC(=O)C2CN(C(=O)C3CC=CCC3)CC23CC[NH2+]CC3)[NH+]2CCCC2)cc1,0
+CCC1CCCC[NH+]1CCCNC(=O)CN(c1cc(Cl)ccc1C)S(=O)(=O)c1ccc(C)cc1,0
+NC(COc1cncc(-c2ccc3cnc(-c4ccccc4)cc3c2)c1)Cc1c[nH]c2ccccc12,1
+CCCCc1cc(=O)oc2cc(OCC(=O)N3CC4[NH+]=c5ccccc5=C4CC3C(=O)OC)c(Cl)cc12,0
+C=C1C(SC(NC(C)=O)C(=O)OCC)=C(c2cc(C(C)(C)C)c(O)c(C(C)(C)C)c2)C(=O)c2ccccc21,0
+C=CC[NH+]1CCN(c2nc(SCC(=O)NC3CCCCC3)nc3sc4c(c23)CCCC4)CC1,0
+Cc1cc(C)c2c(c1)=[NH+]C(=O)C(C(C1NN=NN1C1CCCCC1)[NH+](Cc1cccs1)CC1CCCO1)C=2,0
+CCOCCN(CC(O)CN1CCCC2(CCN(c3ncnc4ccccc34)C2)C1)S(=O)(=O)c1c(C)cccc1C,1
+CC(C)(Cc1ncc[nH]1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNC(CCn3cncn3)CC2c2ccc(Cl)c(Cl)c2)oc1Cl,1
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC(CCN)c3ccccc3)cc21,1
+CC1c2c(O)cc(O)cc2OC(=O)C1CC(=O)NCCC1=c2cc(Cl)ccc2=[NH+]C1,0
+CCCN1C(=O)c2sccc2N2C(CCC(=O)NCCC3=c4ccccc4=[NH+]C3)NNC12,0
+CC(C)c1ccc(OCC2c3ccsc3CCN2C(=O)CN(CC[NH+]2CCCC2)C(=O)C2CC2)cc1,0
+COCC[NH+](CC=Cc1ccc(OC)cc1)CC1CCC[NH+](C2Cc3ccccc3C2)C1,0
+O=C(c1cccs1)N(CCc1ccc(F)cc1)Cc1cc2ccc(Cl)cc2[nH+]c1N1CCC(O)CC1,0
+C=CCn1c(C)nc2c(c1=O)C(c1ccc(Cl)cc1)c1c(c3ccccc3oc1=O)O2,0
+O=C(C=C1CSC(NC(=O)c2ccc3c(c2)OCO3)N1)NCCC1=c2ccccc2=[NH+]C1,0
+[H]N=C(Nc1nc(C)cc(C)n1)N(CCC1=c2ccccc2=[NH+]C1)C(=S)Nc1ccccc1,0
+NC(=O)CSC1Nc2nccnc2C(=O)N1CCC1=c2ccccc2=[NH+]C1,0
+CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(N)nc2)CC1,1
+COc1ccccc1NS(=O)(=O)c1ccc(NNC2=c3ccccc3=[NH+]C2=O)c([N+](=O)[O-])c1,0
+Cc1ccc(CSC2NNC(SCC(=O)NN=CC3=c4ccccc4=[NH+]C3)S2)cc1,0
+O=C(N=C1N=C2C=CC(Br)=CN2Cc2ccccc21)c1cc2ccccc2o1,0
+CC1CCCC(CNC(=O)CCCCC2SCC3NC(=O)NC32)([NH+](C)C)C1,0
+O=C(c1cnn2c1NC(c1ccc(F)cc1)CC2C(F)(F)F)N1CC[NH+](C23CC4CC(CC(C4)C2)C3)CC1,0
+Cc1[nH]nc2ccc(-c3cc(OCC(N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,1
+CCCC(C)NC(=O)C1CN(C(=O)COc2cccc3c(C)cc(=O)oc23)CC12CC[NH2+]CC2,0
+CCCCN(CC(=O)Nc1cc(C(C)(C)C)nn1C(C)(C)C)C(=O)Nc1c(C(C)C)cccc1C(C)C,0
+CC(C)Sc1ccc(CC(=O)NCC(c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(c4ccc(Cl)cc4)C4CCCN4)CC3)c21,1
+CC1CCc2c(sc(NC(=O)C[NH2+]CCc3ccccc3)c2C(=O)Nc2ccccc2F)C1,0
+Cc1ccc(NC(=O)C(OC(=O)c2c3c(nc4ccccc24)CCCC3)c2ccccc2)c([N+](=O)[O-])c1,0
+O=[N+]([O-])c1ccc(N2CC[NH+](C(c3ccc4ncccc4c3)c3nnnn3C3CCCCC3)CC2)cc1,0
+C=CC[NH+]1CCN(c2nc(SCC(=O)Nc3cccc4ccccc34)nc3sc4c(c23)CCC4)CC1,0
+Cc1ccc(C)c(NC(=O)CSC2N=NC(C([NH3+])CC3=c4ccccc4=[NH+]C3)O2)c1,0
+CC(NC(=O)C[NH+]1CCCC1c1ccc2c(c1)OCCCO2)c1ccc(S(N)(=O)=O)cc1,0
+COc1cc(C(=[NH2+])N(C)C)ccc1C(=O)Nc1ccc(Cl)cc1C(=O)Nc1ccc(Cl)cn1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCC(N)c3ccccc3)cc21,1
+Cc1cccc(N2C(=O)C3C(c4ccccc4O)[NH2+]C(CC4=c5ccccc5=[NH+]C4)(C(=O)[O-])C3C2=O)c1,0
+CC(CNC(=O)C1NNC2=C1CCC2)Oc1cccc(C[NH+](C)Cc2cscn2)c1,0
+Cc1ccc(Cl)cc1-n1c(C)cn2c3c(=O)n(CCCNc4ccccc4N)c(=O)n(C)c3nc12,0
+COC(=O)C1[NH+]=c2cccc(OC)c2=C1NC(=O)CN1CCC(C(N)=O)([NH+]2CCCCC2)CC1,0
+Cn1cccc1CC(C)(C)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+O=C(NCCOc1ccccc1F)C1CN(C(=O)c2ccc3ccccc3c2)CC12CC[NH2+]CC2,0
+CCCSc1nc2ccc(NC(=O)CSc3n[nH]c(NN=C(C)c4ccncc4)n3)cc2s1,0
+N#CC1=C(N)Oc2cc(OC(=O)c3cccc(Cl)c3)ccc2C1c1cccc(OCc2ccccc2)c1,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccc(F)cc2)cc1,0
+COc1ccc(C2CCC[NH+]2C(C)C(=O)Nc2sc3c(c2C(N)=O)CCC3)c(OC)c1,0
+C=CCNc1[nH+]c2c(s1)CC1(C)CCC(C(C)C(=O)NC3CC3)C(O)C1C2C,0
+COc1ccc(CCC(C)NC(=O)C2CN(C(=O)c3cccc(N(C)C)c3)CC23CC[NH2+]CC3)cc1,0
+COc1ccc(-c2cc(C3C[NH+]4CCC3CC4CNC(=S)Nc3ccc(C#N)cc3)n(C)n2)cc1OC,0
+COc1cc(Br)ccc1C1C(C(=O)Nc2ccc(C)cc2C)=C(C)N=C2[NH+]=NNN21,0
+COc1c2c(cc3c1C(CC(=O)C1=CCC4C5CC=C6CC(O)CCC6(C)C5CCC14C)[NH+](C)CC3)OCO2,0
+Cc1ccc(SCC2C(C(=O)NN=CC3=c4ccccc4=[NH+]C3)N=NN2c2nonc2N)cc1,0
+CC1CC(C)C[NH+](CCCCNC(=O)NNC(=O)c2cn(C)c3ccccc23)C1,0
+CCc1n[nH]c2ncnc(N3CCN(c4cc(Cl)cc(NCCN5CCCC5)c4C)CC3)c12,1
+CCc1ccc(C(=O)N2CC(C(=O)NC(C)c3nc4ccc(C)cc4[nH]3)C3(CC[NH2+]CC3)C2)cc1,0
+Nc1ncccc1-c1nc2cc(-c3cccnc3)cnc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1,1
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1,1
+Cc1[nH+]ccn1-c1ccccc1CNC(=O)C1CCCN(S(=O)(=O)Cc2c(Cl)cccc2Cl)C1,0
+CCOC(=O)N1CCc2c(sc(NC(=O)C[NH+]3CCCC(C)C3)c2C(=O)Nc2cccc(Cl)c2)C1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2CC(C)C(=O)N3)CC1)c1ccc(Cl)cc1,1
+CCCCCCN1C(=O)C(C(=O)NN=C(C)C2C(=O)[NH+]=c3ccccc3=C2O)C(O)c2ccccc21,0
+CC(C)C([NH2+]CC(=O)Nc1sc2c(c1C(N)=O)CCCC2)c1ccc2c(c1)OCCCO2,0
+CCOC(=O)CC1(NC(=O)N2CCC3=c4ccccc4=[NH+]C3C2c2ccccc2F)CCCCC1,0
+COc1ccc2c(c1)=C(CCN1CC(C(=O)NC3NNC(Cc4ccccc4)S3)CC1=O)C[NH+]=2,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNCCC2c2ccc(Cl)cc2)oc1Cl.O=C(O)C(O)C(O)C(=O)O,1
+CC1(C)CC2CC(C)(C[NH+]2CN2C(=O)C(=NNC(=O)c3cccs3)c3cc(Br)ccc32)C1,0
+Cc1[nH+]c(N)ccc1CNC(=O)Cn1c(C)cc2c(c1=O)NC(=O)C(CC1CC1)C2,0
+CCC[NH2+]CC(=O)Nc1sc2c(c1C(=O)Nc1ccccc1F)CCC(C)C2,0
+COC1CCC(NCC(C(=O)N2CCN(c3ncnc4c3C(C)CC4O)CC2)c2ccc(Cl)cc2)CC1,1
+CC1C[NH+](C(C)c2nc3cc(Cl)ccc3c(=O)n2C)CCN1C(=O)Nc1cccc(Br)c1,0
+Cc1cc(C)c2c(c1)=CC(C(C1NN=NN1C(C)(C)C)N1CC[NH+](C3CCCCC3)CC1)C(=O)[NH+]=2,0
+CC(NCC1[NH+]=c2ccc(F)cc2=[NH+]1)C1=CNN(c2ccc(F)cc2F)C1C,0
+CC1c2cc(O)c(O)cc2CC[NH+]1CC(=O)Nc1cccc(C#N)c1,0
+CC[NH+](CC)CCCC(C)NC(=O)c1ccc(-c2[nH]nc3c2CCCc2ccccc2-3)cc1,0
+[NH2+]=c1n(CC[NH+]2CCCCC2)c2ccccc2n1CC(O)c1ccc2c(c1)OCO2,0
+COc1cc(NC(=O)NC(CCC(C)C)c2c(-n3cccc3)sc3c2CC[NH+](C)C3)cc(OC)c1,0
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1
+CCOCCN(CC(O)CN1CCCC2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)noc1C,1
+CC1CCc2c(sc(NC(=O)C(C)[NH+](C)CC(N)=O)c2C(=O)OC(C)C)C1,0
+CC(C)(CC1CCCN1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+COc1c2c(cc3c1C(CC(=O)c1cc4c(cc1C)C(C)(C)C(C)CC4(C)C)[NH+](C)CC3)OCO2,0
+COc1ccc(Cl)cc1NC(=O)C1CC(C(C)O)[NH2+]C12C(=O)Nc1ccccc12,0
+C=CCn1c(CNc2ccc(C)cc2)nnc1SCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)c3n2)c1,1
+CC(=O)OCCC1CC(c2ccc(F)c(F)c2)C(NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CN1,1
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCNCC3)c21.O=C(O)C(F)(F)F,1
+CCOC(=O)c1c(NC(=O)C2CCCN2S(=O)(=O)c2ccc(Cl)s2)sc2c1CC[NH+](C)C2,0
+COc1ccc2c(c1)=C1CCN3C(=O)N(c4ccccc4C(=O)NC(C)c4ccccc4)C(=O)C3(C)C1[NH+]=2,0
+Cc1ccccc1-n1nc(C)c(CCC(=O)Nc2ccc(F)cc2)c1Oc1ccccc1F,0
+COc1cccc(C2C(C#N)=C(N)Oc3cc(OC(=O)C(C)Oc4ccc(C(C)C)cc4)ccc32)c1OC,0
+CCc1[nH+]c(C)cc(NCC(=O)C2(O)CCC3C4CCC5=CC(=O)CCC5(C)C4CCC32C)c1O,0
+CC(C)C1[NH2+]C2(c3ccccc3-n3c2nc2ccccc2c3=O)C2C(=O)N(c3ccccc3)C(=O)C12,0
+CNC(=O)C(C)NC(=O)C1CN(C(=O)c2csc(Cl)c2OC)CC12CC[NH2+]CC2,0
+Cc1cc(C)nc(NC(NCCc2ccc(S(N)(=O)=O)cc2)=[NH+]C(=O)NC2C3CC4CC(C3)CC2C4)n1,0
+CCC(=O)N1CC(C(=O)NCC(c2ccc(OC)cc2)[NH+]2CCCC2)C2(CC[NH2+]CC2)C1,0
+O=C(NCC(c1ccco1)[NH+]1CCCC1)NCC1(O)CCCc2ccccc21,0
+COc1ccc(OC)c(NC(=O)C2CC(CCSC)[NH2+]C23C(=O)Nc2c(C)cccc23)c1,0
+COCCCNC(=O)c1cccc2c1NC(c1ccccc1O)C1CC=CC21,0
+CC1NNC(C(=O)Nc2cccc(C(=O)NCCC3=c4cc(Cl)ccc4=[NH+]C3)c2)S1,0
+COC(=O)C1CC2=c3ccccc3=[NH+]C2CN1C(=O)COc1cc2oc(=O)c3c(c2cc1Cl)CCCC3,0
+O=CC1OC(COS(=O)(=O)[O-])C(OC2OC(C(=O)[O-])C(O)C(O)C2OS(=O)(=O)[O-])C1O,0
+COc1c(C(=O)N2CC(C(=O)NCC3CC[NH+](C)C3)C3(CC[NH2+]CC3)C2)csc1Cl,0
+CC(C)(CC1CCCN1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+Cc1cccc(-c2nnc([S-])n2CC(=O)N2CCN(Cc3cc(=O)n4ccsc4[nH+]3)CC2)c1,0
+Cn1ccnc1C(O)(CCNC(=O)NCC(c1ccco1)[NH+]1CCCCC1)C(F)(F)F,0
+CCOC(=O)N1CCc2c(sc(NC(=O)COc3ccc(OC)cc3)c2-c2nc3ccccc3s2)C1,0
+Cc1ccc(-n2c(SCC(=O)C3=c4ccccc4=[NH+]C3)nc3sc4c(c3c2=O)CCCC4)cc1Cl,0
+c1ccc2c(CC(COc3cncc(-c4cc5ccncc5s4)c3)Nc3cc4ccncc4s3)c[nH]c2c1,1
+CC(SC1Nc2ccccc2S1)C(=O)NN=CC1=c2ccccc2=[NH+]C1,0
+CCCNC(=O)C1CCC[NH+](CC(=O)Nc2ccc(C(=O)Nc3ccc(OCC)cc3)cc2)C1,0
+COc1ccc(SCCCC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,0
+COc1ccccc1-c1c2c(nc3sc(C(=O)Oc4ccccc4C)c(N)c13)CC[NH+](C)C2,0
+CCCCOC(=O)c1sc2[nH+]c(Cc3cccs3)c3c(c2c1N)CCCC3,0
+CC(C)CCN1C(=O)N(CC(N)=O)C(=O)C12CC[NH+](CC1C=c3ccccc3=[NH+]1)CC2,0
+CC12CCC3C(CCC4(O)CC(O)CCC34C=NNc3ccccc3)C1(O)CCC2C1=CC(=O)OC1,0
+CC12CCC3c4ccc(O)cc4CCC3C1CC(CO)(CCCC[NH2+]CCc1ccccn1)C2O,0
+NC(COc1cncc(-c2ccc3cnc(-c4ccco4)cc3c2)c1)Cc1c[nH]c2ccccc12,1
+COC(=O)c1c(NC(=O)C[NH+]2CCC3(O)CCCCC3C2c2ccc(OC)cc2)sc2c1CCCC2,0
+Cc1ccc2c(c1)C(C(=O)N1CCN(C(=O)C3C=c4cc(Cl)ccc4=[NH+]3)CC1)NS2,0
+COCC(C)NCCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C(N)=O)CC1,1
+CCC(CO)N=CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O,0
+Cc1cc(Cl)ccc1OCCCC(=O)Nc1cccc(C[NH+]2CCCC2C(N)=O)c1,0
+CCc1ccccc1NC(=O)N1Cc2c(sc3c2CC[NH+](C)C3)-n2cccc2C1c1cccc(OC)c1,0
+Nc1ncccc1-c1nc2ccc(-c3cccc(NC(=O)C4CC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+Cc1ccc2c(c1)=CC(C(C1N=NNN1C(C)(C)C)[NH+]1CCN(c3cccc(C)c3C)CC1)C(=O)[NH+]=2,0
+O=C(CC[NH+]1CCCCC1)NN1C(=O)C(=Cc2ccc(-c3cc(Cl)ccc3Cl)o2)SC1=S,0
+CCOc1ccc(NC(=O)CSc2nnc(COc3cc(C)ccc3C(C)C)n2N)cc1OCC,0
+CC(C)(C)OC(=O)NCCNC(=O)C1CN(C(=O)c2ccc(Br)cc2)CC12CC[NH2+]CC2,0
+CC12CCC3C(CCC4(O)CC(O)CCC34C=NNc3ccccc3)C1(O)CCC2C1=CC(=O)OC1,0
+NC1=[NH+]c2nc3cc4c(cc3n2C(c2ccc(OCc3cn5ccccc5n3)cc2)N1)OCCCO4,0
+Cc1noc(C)c1S(=O)(=O)NCC(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1,1
+O=C(CC1NOC(C(=O)NCCC2=c3ccccc3=[NH+]C2)N1)Nc1ccc(F)cc1F,0
+COC(=O)C1=C(C)N=C2SC=C(C=C([O-])NCC[NH+]3CCCCC3)N2C1c1ccc(OC)cc1,0
+CCOc1ccc(-n2nc3ccc(NC(=S)NC(=O)c4ccc(C)cc4C)cc3n2)cc1,0
+COc1ccc2c(C)c(CCC(=O)NCC(c3cccs3)[NH+]3CCC(C)CC3)c(=O)oc2c1,0
+CC(C)(C)c1ccc(Oc2cccc(C3CC(O)=C(C4[NH2+]CCc5ccccc54)C(=O)C3n3cncn3)c2)cc1,0
+O=C(NCC[NH+]1CCCC1)c1csc(CSc2nnc(-c3ccco3)n2-c2ccc(Cl)cc2)n1,0
+O=C(NCc1cc2cc(Cl)ccc2[nH]1)C1CNN2C1[NH2+]C(c1ccco1)CC2C(F)(F)F,0
+Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2cn(CC(O)C[NH2+]CCCO)c3ccccc23)cc1,0
+CC[NH+]1CCCC1CN1C(=O)C(=Cc2ccc(OCc3ccccc3)cc2)SC1=Nc1ccc(OC)cc1,0
+COc1cccc(CNC(=O)c2c(OC)cc(=O)n3c2CC[NH+](CC2=CCC4CC2C4(C)C)CC3)c1,0
+CCc1cccc2c1=[NH+]CC=2C(=O)CSC1NNC(c2ccc(OC)cc2)[NH+]1CC(=O)[O-],0
+Cc1ccc(NC(=NC(=O)c2cccc(N(C)C)c2)NCCC2=c3ccccc3=[NH+]C2)c(C)c1,0
+CC(C)n1cc(C(=O)c2cncc(NC3CCCC3c3ccc(F)cc3)n2)c2c(N)ncnc21,1
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2N(C)C(=O)CN3)CC1)c1ccc(Cl)cc1,1
+CC(=O)C1CCC2C3CCC4=CC(=NOCC(=O)NCCc5c[nH]c[nH+]5)CCC4(C)C3CCC12C,0
+NCC(Cc1cccc(F)c1)NC(=O)c1cc(Br)c(-c2ccnc3[nH]ccc23)s1,1
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCCC1c1ccc2c(c1)OCCO2,0
+COc1cc2c(c3oc(=O)c(CC(=O)NCC4(CC(=O)[O-])CCCCC4)c(C)c13)CCC(C)(C)O2,0
+NS(=O)(=O)c1cc2c3c(c1)C1C=CCC1C(c1ccc([N+](=O)[O-])cc1)N3CC1CC=CC21,0
+CC(C)[NH+](CCN(C(=O)Nc1cc(Cl)nc(Cl)c1)C1CCC2(c3cccc(C#N)c3)CC2C1)C(C)C,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)OC(=O)N3)C2CC21)c1ccc(Cl)cc1,1
+Nc1nonc1N1N=NC(C(=O)NN=CC2=c3ccccc3=[NH+]C2)C1CSc1ccc(Cl)cc1,0
+CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2-c2ccc(F)cc2)CC1,1
+Cc1ccc(NC(=O)CSC2NNC(C([NH3+])CC3=c4ccccc4=[NH+]C3)O2)c(C)c1,0
+CCCCn1c(N2CC[NH+](Cc3ccc(C)cc3C)CC2)nc2sc3c(c2c1=O)CC(C)(C)OC3,0
+CCc1c(C)[nH]c(CC(C)(C)C2C(=O)Nc3ccc(-c4cncc(OCC(N)Cc5c[nH]c6ccccc56)c4)cc32)c1C,1
+Cc1onc(-c2ccccc2Cl)c1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+Cc1ccc2c(c1)=C(CCNC(=O)c1ccc(NC(=O)C3NSc4ccccc43)cc1)C[NH+]=2,0
+C[NH+](C)CCn1ccc2cc(NC(=O)c3cccc(COc4ccccc4C(N)=O)c3)ccc21,0
+CCCCCC(C)C(C)c1cc(O)c2c(c1)OC(C)(C)C1=C2C[NH+](CC(N)=O)CC1,0
+Cc1cccc(N2C(=O)C3C(c4ccccc4O)[NH2+]C(CC4=c5ccccc5=[NH+]C4)(C(=O)[O-])C3C2=O)c1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC(CN)Cc2cccc(F)c2)sc1Cl,1
+Cc1ccc(SCC2C(C(=O)NN=CC3=c4ccccc4=[NH+]C3)N=NN2c2nonc2N)cc1,0
+NC(CNc1cncc(Nc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12,1
+CCc1cc(C(Nc2cc(C)cc[nH+]2)c2ccc(SC)cc2)c(NC(=O)c2ccco2)s1,0
+CCCOc1ccc(C2C(C#N)=C(N)Oc3cc(OC(=O)COc4ccc(C(C)C)cc4)ccc32)cc1,0
+COc1ccccc1C1c2ccc(O)cc2Oc2ncn(CC[NH+](C)C)c(=[NH2+])c21,0
+Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C1CN(C(=O)CCCc2ccccc2)CC12CC[NH2+]CC2,0
+CC(NC(=O)c1ccc2c(c1)SC(n1cccc1)N2)C(=O)NCCC1=c2cc(F)ccc2=[NH+]C1,0
+O=C(NCCC(c1ccccc1)c1ccccc1)C1CC12CC[NH+](CC1C=c3ccccc3=[NH+]1)CC2,0
+CCCCCOc1c(Cl)cc(C(=O)NCC(c2ccc(OC)cc2)[NH+]2CCCCC2)cc1Cl,0
+Cc1ccc2sc(N(CCC[NH+](C)C)C(=O)c3cc(-c4cccs4)nc4ccccc34)nc2c1C,0
+CCCC[NH+](C)CCCNC(=O)c1ccc2c(c1)NC(=O)C(C(C)CC)N2,0
+[NH3+]C(CC1=c2ccccc2=[NH+]C1)C1NNC(SCc2c(Cl)cccc2Cl)O1,0
+CC(C)CNC(=O)CCC(=O)OCC(=O)C1(O)CCC2C3CCC4=CC(=O)CCC4(C)C3C(O)CC21C,0
+CCCCC1NNC(NC(=O)C2CC(=O)N(CCC3=c4cc(OC)ccc4=[NH+]C3)C2)S1,0
+CCCC[NH+]1CCN(c2nc(SCC(=O)N3CCCC3)nc3sc4c(c23)CC(C)(C)OC4)CC1,0
+CN(C)CCn1cc(-c2ccc(F)c(C(F)(F)F)c2)nc1C1CCN(c2ncnc(N)c2C2=CCCC2)CC1,1
+Cc1n[nH]c2cnc(-c3cncc(OCC(N)Cc4cccc(OCC5CCNCC5)c4)c3)cc12,1
+COc1ccccc1C=CC[NH+]1CCNC(=O)C1CC(=O)NCc1cc2cc(F)ccc2[nH]1,0
+COc1ccc(CCC(C)NC(=O)C2CN(C(=O)c3ccc(OC(F)(F)F)cc3)CC23CC[NH2+]CC3)cc1,0
+NC(=O)C1CCCC[NH+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1,0
+COc1ccc(Br)c(C(=O)N2CC(C(=O)NCCC[NH+](C)C)C3(CC[NH2+]CC3)C2)c1,0
+CC1=C(CCC(=O)NC2=CC=CN3NC(C4CCC4)=[NH+]C23)C(C)N=N1,0
+CC(C)CNC(=O)C1=CN(C2CCCN(C(=O)CCC3=c4ccccc4=[NH+]C3)C2)NN1,0
+COC(=O)c1c(-c2ccc(C3CCCCC3)cc2)csc1NC(=O)c1cc2cc(Cl)ccc2oc1=O,0
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+C=CCNc1[nH+]c2c(s1)CC1(C)CCC(C(C)C(=O)N3CCN(C)CC3)C(O)C1C2C,0
+CCCCc1ccc(N2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5c4ccc(C)c5C)C3C2=O)cc1,0
+COc1ccc2c(c1)=C(CCN1CC(C(=O)NC3NNC(CC(C)(C)C)S3)CC1=O)C[NH+]=2,0
+CCOc1c(Cl)cc(C(=O)NCC(c2ccc(OC)cc2)[NH+]2CCCCC2)cc1Cl,0
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4cccc(OCC5CCNCC5)c4)c3)cc12,1
+Cc1csc(Sc2ccc(NC(=O)NCC(c3ccco3)[NH+]3CCCC3)cc2)n1,0
+Cc1ccc2c(c1)=CC(C(C1N=NNN1C(C)(C)C)[NH+]1CCN(c3cccc(C)c3C)CC1)C(=O)[NH+]=2,0
+CNCCn1cc(-c2ccc(F)c(C)c2)nc1C1CCN(c2ncnc(N)c2-c2cn[nH]c2)CC1,1
+CC(n1cnnc1-c1nc(NC(=O)c2cc(-n3cnc(C4CC4)c3)c(N3CCC(F)(F)C3)cn2)cs1)C(F)(F)F,1
+CC(C)(C)OC(=O)N1CC=C2C(C#N)=C(N)C(C#N)(C#N)C(c3cc(Br)ccc3F)C2C1,0
+CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)C3CCN(S(=O)(=O)c4cccs4)CC3)nc12,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)CCSc3ccc(F)cc3)c2C(N)=O)C1,0
+CC[NH+](CC)CCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1cc(Br)ccc1O)N2,0
+CC12CCC(=NOCC(=O)NCCc3ccc(O)cc3)C=C1CCC1C2CCC2(C)C1CCC2(C)O,0
+O=C([O-])c1ccccc1C(=O)Nc1ccc2c(c1)SC(SCC1[NH+]=c3ccccc3=[NH+]1)N2,0
+COc1ccc(C[NH+]2CCC3CC(=O)N(C(Cc4c[nH+]c[nH]4)C(N)=O)CCC3C2)c(O)c1,0
+COc1ccccc1C(C)[NH2+]CC(=O)Nc1ccccc1C(=O)NCc1ccc(C)cc1,0
+CC(C)n1cc(C(=O)c2cncc(NC3CCOC3c3ccc(F)cc3)n2)c2c(N)ncnc21,1
+O=C(Nc1ccccc1)c1cccc2c1NC(c1cc([N+](=O)[O-])ccc1Cl)C1CC=CC21,0
+COC1CCN(c2cnc(C(=O)Nc3csc(-c4nncn4C(C)C(F)(F)F)n3)cc2-n2cnc(C3CC3)c2)CC1,1
+Cc1ccc(C(=O)NC2NC3=C(C(=O)NCCC4=c5ccccc5=[NH+]C4)CCC3S2)cc1,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)CCCSc3ccc(Cl)cc3)c2C(N)=O)C1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCC(N)Cc3ccccc3)cc21,1
+CC1=C(CCC2=[NH+]C3=c4ccccc4=[NH+]C(NCCCOC(C)C)N3N2)C(C)N=N1,0
+Cc1ccc(CC(C)(C)C2C(=O)Nc3ccc(-c4cncc(OCC(N)Cc5c[nH]c6ccccc56)c4)cc32)o1,1
+Cc1cc[nH+]c(NC(c2ccc(OC(F)F)cc2)c2cc(C)sc2NC(=O)c2ccco2)c1,0
+CCC(c1nc2ccccc2c(=O)n1CCOC)[NH+]1CCN(C(=O)c2ccc(Br)cc2)C(C)C1,0
+CCC(C)(C)n1nnnc1C(c1cc2c(C)cc(C)cc2[nH]c1=O)[NH+]1CCN(c2ccc([N+](=O)[O-])cc2)CC1,0
+C[NH+]1CCN(n2c3c(c(SCC(=O)Nc4cc(C(F)(F)F)ccc4Cl)nc2=O)CCC3)CC1,0
+CNC(=O)C1CC([NH2+]CCC2=C(C)CCCC2(C)C)CN1C1Cc2ccccc2C1,0
+CC(C)C1NNC(NC(=O)C2CC(=O)N(CCC3=c4cc(F)ccc4=[NH+]C3)C2)S1,0
+CCc1ccccc1NC(=NC(=O)c1cccc(OC)c1)NCCC1=c2ccccc2=[NH+]C1,0
+CN1CCCc2cc(C(CNC(=O)C(=O)Nc3cc4c5c(c3)CCC(=O)N5CCC4)[NH+]3CCCCC3)ccc21,0
+CCOc1ccc(C2Nc3ccc(C(=O)NCC[NH+](CC)CC)cc3C3C=CCC32)cc1,0
+C=CCNc1nc2c(s1)CC1(C)CCC(C(C)C(=O)NCC[NH+]3CCOCC3)C(O)C1C2C,0
+CCc1n[nH]c2ncnc(N3CCN(c4cc(Cl)cc(NCCN(C)C)c4C)CC3)c12,1
+CCOC(=O)C1=C(Nc2ccccc2)CC(C)(O)C(C(=O)OCC)C1c1ccc(Br)cc1,0
+CC(C)C(=O)N1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1,1
+CCCOc1ccc(C2CN3C(=O)N(c4cccc(F)c4)C(=O)C3(C)C3[NH+]=c4ccccc4=C23)cc1OCC,0
+Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1C(=NNc1ccc([N+](=O)[O-])cc1)CCC2,0
+Cc1cc(NC(=O)Nc2ccccc2)c2c(c1)=C(c1ccccc1)C(C(=O)NCCc1ccco1)[NH+]=2,0
+CCOc1ccccc1N1C(=O)C(C2NCCC3=c4ccccc4=[NH+]C32)C(O)=NC1O,0
+CCCC[NH+]=CC12CCC(O)CC1(O)CCC1C2CCC2(C)C(C3C=CC(=O)O3)CCC12O,0
+c1ccc(C2NN=C3CC[NH+](Cc4ccc(Sc5ncn[nH]5)o4)CC32)cc1,0
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1cccc(Cl)c1,1
+COc1ccc(C2[NH+]=NC3C(=O)N(CCC4=c5cc(OC)ccc5=[NH+]C4)C(c4ccc(O)c(OC)c4)C32)cc1,0
+CC(C)(C)C(C(Oc1ccc(Cl)cc1)n1cncn1)n1nnnc1C(c1ccccc1)[NH+]1CCCCC1,0
+Cc1cc(O)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2c1C(=O)C(=Cc1ccc(C(C)C)cc1)O2,0
+CCOC(=O)c1c(NC(=O)CN2CC[NH+](Cc3c(C)nn(C)c3C)CC2)sc(C(N)=O)c1C,0
+CC(=O)OC1CCC2(C)C(=CCC3C2CCC2(C)C3CC(OC(C)=O)C2C(C)C2=[NH+]CC(C)CC2)C1,0
+Cc1cc(OC(=O)c2oc3c(c2C)C(=NNC(=O)c2ccc(Cl)cc2Cl)CCC3)ccc1Cl,0
+C[NH+](C)CCN(Cc1c(-c2ccccc2)noc1N1CCc2ccccc2C1)C(=O)Nc1cccc(Cl)c1,0
+CCN(CC)c1ccc(C2Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3C3C=CCC32)cc1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNC(CCN3CCCCC3)CC2c2ccc(Cl)c(Cl)c2)oc1Cl,1
+CCCNC(=O)c1ccccc1N1C(=O)C2CC3=c4ccccc4=[NH+]C3C(c3cccc(Cl)c3)N2C1=O,0
+Cc1ccc(S(=O)(=O)NCC(=O)NN=Cc2cn(CC(O)C[NH2+]C(C)(C)CO)c3ccccc23)cc1,0
+Clc1ccc(-n2cncn2)c(Cc2nc3c(NCCC4CCCC[NH2+]4)nccc3o2)c1,0
+CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)C(C#N)C(SCC(=O)Nc2cc(C)ccc2C)=N1,0
+O=C(NCc1ccco1)c1ccccc1N1C(=O)C2Cc3c([nH]c4ccccc34)C(c3ccccc3)N2C1=O,0
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)c3n2)c1,1
+Cc1cccc(N2C(=O)C3C(c4ccccc4O)[NH2+]C(CC4=c5ccccc5=[NH+]C4)(C(=O)[O-])C3C2=O)c1,0
+COc1cccc(C2CCC[NH+]2CC(=O)N(CC(C)C)c2c(N)n(CC(C)C)c(=O)[nH]c2=O)c1,0
+N#Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4)C3)c12,1
+CC(C)(C)C(=O)N1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1,1
+COc1ccc(C2NCCC3=c4cc(OCc5ccccc5)ccc4=[NH+]C32)cc1COc1ccc(F)cc1,0
+CCC(C)CC(=O)N1CC(C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)C2(CC[NH2+]CC2)C1,0
+CC(C)(Cc1ccco1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+CCC(C)C(=O)N1CC(C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)C2(CC[NH2+]CC2)C1,0
+NC(CCc1cnc(Cl)c(C=Cc2ccncc2)c1)Cc1c[nH]c2ccccc12,1
+C=CCn1c(Cc2csc(NC(=O)CCC3[NH+]=C(c4ccc(CC)cc4)NO3)n2)n[nH]c1=S,0
+CCc1cccc2c1=[NH+]CC=2C(=O)CSC1NNC(c2ccc(F)cc2)[NH+]1CCC(=O)[O-],0
+COc1cc(NC(C)CCCN(Cc2ccc(F)cc2)C(=O)Nc2cccc(C)c2)c2ncccc2c1,0
+CCCCc1ccc(N2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5c(Cl)cc(C)cc54)C3C2=O)cc1,0
+Cc1cccc(CC(=O)N2CC(C(=O)NCCCC[NH+](C)C)C3(CC[NH2+]CC3)C2)c1,0
+CCOc1ccc(N(CC2C=c3ccc(OC)cc3=[NH+]C2=O)C(=O)c2cc(OC)c(OC)c(OC)c2)cc1,0
+COC(=O)c1ccc(-c2c(N)ncnc2N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)cc1,1
+O=C(C[NH+]1CCc2c([nH]c3ccccc23)C1c1cc(Cl)cc2c1OCO2)Nc1cccc([N+](=O)[O-])c1,0
+NC(COc1cncc2nc(-c3ccncc3)ccc12)Cc1c[nH]c2ccccc12,1
+CCOC(=O)c1c(NC(=O)c2ccc(S(=O)(=O)N3CCCCC3CC)cc2)sc2c1CC[NH+](C)C2,0
+Cc1ccsc1C1C(C#N)=C(N)N(c2nnc(SC(C)C)s2)C2=C1C(=O)CC(C)(C)C2,0
+CC[NH+](CC)CCCC(C)NC(=O)C(=O)Nc1c(C(=O)Nc2ccc(C)cc2)oc2ccccc12,0
+CCOCCN(CC(O)CN1CCCC2(CCc3cc(O)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C,1
+Cc1occc1-c1nc(N)c(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2[nH]nc(C)c2c1,1
+CCc1sc2[nH]c(SC(C)C(=O)Nc3cc(C=O)ccc3O)nc(=O)c2c1-c1cccs1,0
+CC(=O)C1C(C)CC2C3CC=C4CC(OC(=O)CC[NH+]5CCCCC5)CCC4(C)C3CCC21C,0
+Cc1ccc2c(c1)SC(NC(=O)C1CC(=O)N(CCC3=c4cc(C)ccc4=[NH+]C3)C1)N2,0
+CCOC(=O)c1c(NC(=O)CCSc2nnc(-c3ccc([N+](=O)[O-])cc3)n2N)sc2c1CCCC2,0
+COc1ccc2c(c1)=CC(CN(CCc1ccccc1C)S(=O)(=O)c1cccc3nsnc13)C(=O)[NH+]=2,0
+CCn1c(=O)c(-c2noc(CCC(=O)Nc3cc(F)ccc3F)n2)nn(-c2ccc(C)cc2)c1=O,0
+Cc1cc(C)c2c(N)c(C(=O)OCC(=O)Nc3cc([N+](=O)[O-])ccc3Cl)sc2[nH+]1,0
+Cc1ccc2nc(C(C)NC(=O)C3CN(C(=O)CCC4CCCC4)CC34CC[NH2+]CC4)[nH]c2c1,0
+NN1C(SCC(=O)Nc2cccc(Cl)c2)=NNC1C1N=NC2=C1CCC2,0
+CC(SC1NN=C(C2=c3ccccc3=[NH+]C2)O1)C(=O)NC(=O)NC1CCCCC1,0
+CCCNC(=O)NC(=O)COC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)c1cccs1,0
+C[NH+]1CCCC(CNC(=O)c2cc(NCc3ccccc3F)cc(S(=O)(=O)NC(C)(C)C)c2)C1,0
+COCC1CCC[NH+]1CC1C[NH+]2CCC1CC2CNC(=S)NCCN1CCOCC1,0
+CC[NH+]1CCN(c2nc3sc4c(c3c(=O)n2CC(=O)Nc2ccccc2C)CC(C)(C)OC4)CC1,0
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,1
+CC(C)[NH+]1CCc2c(sc(NC(=O)CCCSc3ccc(F)cc3)c2C(N)=O)C1,0
+COc1cc(C2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3C3C=CCC32)ccc1O,0
+CCc1ccc(C2CN3C(=O)CN(CCc4ccc(OC)cc4)C(=O)C3(C)C3[NH+]=c4ccccc4=C23)cc1,0
+C=CCNC(=O)c1ccccc1N1C(=O)C2CC3=c4ccccc4=[NH+]C3C(c3cccc(Cl)c3)N2C1=O,0
+CN(C)c1ccc(C(=O)N2CCN(CC(=O)Nc3ccc(OC(F)(F)F)cc3)CC2)cc1[N+](=O)[O-],0
+CC[NH+]1CCC(N(C)C(=O)C2CC3CCCCC3N2C(=O)c2sc3ccccc3c2Cl)CC1,0
+CCC([NH2+]C1CCN(c2ccc(NS(=O)(=O)N(C)C)cc2)CC1)C1[NH+]=c2ccc(C)cc2=[NH+]1,0
+C=CCNC(=O)c1ccccc1N1C(=O)C2CC3=c4ccccc4=[NH+]C3C(c3ccc(OC)cc3)N2C1=O,0
+CC1[NH+]=c2ccc(OC(F)(F)Cl)cc2=C1CCNC(=O)C1CCCCC1C(=O)OCC(F)(F)F,0
+CN1CCCc2cc(C(CNC(=O)C3c4ccccc4Oc4ccccc43)N3CC[NH+](C)CC3)ccc21,0
+O=C(C1Cc2cc([N+](=O)[O-])ccc2N2CCN(c3cccc[nH+]3)CC12)N1CCN(c2ccccc2F)CC1,0
+COc1ccc(-n2c(O)nc(O)c(C3[NH2+]CCc4c3[nH]c3ccc(OC)cc43)c2=O)cc1,0
+Cc1ccc2c(c1C)NC(=O)C21[NH2+]C(Cc2ccc(O)cc2)C2C(=O)N(CCc3ccccc3)C(=O)C21,0
+CC1CC(C)C[NH+](CCCNC(=O)C2(C)Cn3c(cc4ccccc43)C(=O)N2Cc2ccc3c(c2)OCO3)C1,0
+CN1CCc2cc(C(CNS(=O)(=O)c3ccc(Br)cc3)N3CC[NH+](C)CC3)ccc21,0
+COc1ccc(C2=C3C(N=N2)C(=O)N(CCC2=c4cc(OC)ccc4=[NH+]C2)C3c2ccc(O)cc2)cc1,0
+CC(=O)Nc1nc2ccc(-c3cnc(Cl)c(NS(=O)(=O)c4cccc(F)c4)c3)cc2s1,1
+CC1[NH+]=c2c(C(F)(F)F)cccc2=C1CCNC(=O)CCCCCN1C(=O)c2ccccc2C1=O,0
+CC(C)C[NH+]1CCN(c2nc3sc4c(c3c(=O)n2CC(=O)Nc2cccc3ccccc23)CCC4)CC1,0
+CCC[NH+]1CCN(C(=O)CC2c3ccccc3CCN2S(=O)(=O)c2ccc(NC(=O)CC)cc2)CC1,0
+COc1ccccc1NC(=O)N1Cc2c(sc3c2CC[NH+](C)C3)-n2cccc2C1c1ccc(Cl)cc1,0
+O=C(CCNC(=O)N1CC(O)=Nc2ccccc21)NCCC1=c2ccccc2=[NH+]C1,0
+CCc1ccc(C([NH2+]CC(=O)Nc2sc3c(c2C#N)CCC3)c2cccs2)cc1,0
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)c3n2)c1,1
+COc1ccc2[nH]c(C)c(C(O)C[NH+]3CCC4(CC3)CC(O)c3ccccc3O4)c2c1,0
+CCSc1nc(NCC[NH3+])c2sc3c(c2n1)COC(C)(C)C3,0
+Oc1nc2ccc(NC(COc3cncc(-c4ccc5nc(O)sc5c4)c3)Cc3c[nH]c4ccccc34)cc2s1,1
+CC1Oc2ccc(NC(=O)CCC3=c4ccccc4=[NH+]C3c3ccc(F)cc3)cc2NC1=O,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNC(CC(=O)NC3CCC3)CC2c2ccc(Cl)c(Cl)c2)oc1Cl,1
+COC(=O)c1ccc(C2(C)Nc3ccc(S(=O)(=O)Nc4c(C)cccc4C)cc3C3C=CCC32)cc1,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4c[nH]c5cccnc45)cnc3-c3ccoc3)cc12,1
+COC(=O)C1C(NC(=O)C2CCOC2)c2cc(NC3CCOCC3)c[nH+]c2N1CCC1=c2ccccc2=[NH+]C1,0
+COCc1cc(C)nc2c1C(N)C(C(=O)NCCC1=c3cc(OC(F)(F)F)ccc3=[NH+]C1C)S2,0
+CC(C)[NH+]1CCc2c(sc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)c2C(N)=O)C1,0
+Cc1ccc2c(c1)C1(C(=O)N2)C(C(=O)c2ccccc2)C(c2cccc([N+](=O)[O-])c2)C2CSC[NH+]21,0
+O=S(=O)(NCCNCC=Cc1ccc(Br)cc1)c1cccc2cnccc12,1
+CCCCCCC(=O)N1CC(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1,1
+COCC1NNC(NC(=O)C2CC(=O)N(CCC3=c4cc(C)ccc4=[NH+]C3)C2)S1,0
+CN(C)C(=O)C1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1,1
+CSCCC(NC(=O)c1ccc2ccccc2c1)C(=O)N1CCC2(CC1)NCCc1[nH]c[nH+]c12,0
+C=CCn1c(CNc2ccccc2)nnc1SCC(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1,0
+COc1ccc2c(c1)=C1CCNC(C3C(=O)N(c4cc(C)ccc4C)C(O)N=C3O)C1[NH+]=2,0
+Cc1cc(C)c2c(c1)=[NH+]C(=O)C(C(C1NN=NN1C1CCCCC1)[NH+](Cc1cccs1)CC1CCCO1)C=2,0
+Cc1ccc(Nc2nc(N)nc(C[NH2+]C(CO)C(O)c3ccc([N+](=O)[O-])cc3)n2)cc1,0
+CCOC(=O)c1c2c(n(C)c1C[NH+](C)C)C(=O)C(=NNC(N)=O)c1ccc(Br)cc1-2,0
+CCCCCCC(=O)N1CC(C(=O)NCCc2c[nH]c3ccc(C)cc23)C2(CC[NH2+]CC2)C1,0
+CCOc1ccc(C(=O)N2CC(C(=O)NC(C)c3nc4ccc(C)cc4[nH]3)C3(CC[NH2+]CC3)C2)cc1,0
+CCCCOc1ccc(C2C(C#N)=C(N)Oc3cc(OC(=O)c4ccc(OCCC)cc4)ccc32)cc1,0
+Cc1ccc(C2C=C(c3ccccc3)OC(c3ccccc3)=C2C=NCCC2=c3ccccc3=[NH+]C2)cc1,0
+O=C(Nc1cccc(F)c1)C1Cc2cc(C(F)(F)F)ccc2N2CC[NH+](C3CCCCC3)CC12,0
+CC(C)(Cc1ccc[nH]1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+COc1c(C(=O)N2CC(C(=O)NCCc3cc(C)ccc3C)C3(CC[NH2+]CC3)C2)csc1Cl,0
+CC(C)(C)c1csc(NC(=O)CSC2NNC(c3ccco3)[NH+]2C2CC2)n1,0
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+NC(COc1cncc(-c2ccc3c(c2)C(c2cccs2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,1
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+NC1(CNC(=O)c2ccc(F)cc2F)CCN(c2ncnc3[nH]cc(Cl)c23)C1,1
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+CC[NH+]1CCCC(Nc2cc(C)nc(Nc3nc4cc(Cl)c(Cl)cc4[nH]3)n2)C1,0
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+O=C(NCC(c1cccs1)[NH+]1CCCCCC1)c1ccc(S(=O)(=O)c2ccc(Cl)cc2)o1,0
+CC[NH+](CC)CCN(C(=O)C1CCCCN1S(=O)(=O)c1cccs1)c1nc2ccc(C)cc2s1,0
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5ccccc5)cc4)c3n2)c1,1
+O=CC1OC(COS(=O)(=O)[O-])C(OC2OC(C(=O)[O-])C(O)C(O)C2OS(=O)(=O)[O-])C1O,0
+O=C(NCc1ccco1)c1ccccc1N1C(=O)C2CC3=c4ccccc4=[NH+]C3C(c3ccccc3)N2C1=O,0
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+COc1c2c(cc3c1C(CC(=O)C1=CCC4C5CCC6CC(O)CCC6(C)C5CCC14C)[NH+](C)CC3)OCO2,0
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+CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)CNc3ccc(C(C)C)cc3)cc12,0
+C=C1CCCC2(C)CC3OC(=O)C(C[NH2+]CCC4(c5ccc(OC)cc5)CCOC(C)(C)C4)C3CC12,0
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+CSC1=NC2=[NH+]C3=C(C(c4cccc(F)c4)Oc4ccc(C)cc43)C(c3ccc(C)cc3)N2N1,0
+O=C(CNC(=O)Cc1n[nH]c(=O)c2ccccc12)NCCC1=c2cc(F)ccc2=[NH+]C1,0
+CCCCN(C(=O)C[NH+]1CCCC1c1ccc(OC)cc1)c1c(N)n(CC(C)C)c(=O)[nH]c1=O,0
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+COc1cc(C2SCC(=O)Nc3c2c(C)nn3-c2nc3ccc(C)cc3s2)ccc1O,0
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+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCCC3)CC2)c1-c1ccccc1F,1
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+CCCOc1ccc(C2CN3C(=O)CN(CCCOC)C(=O)C3(C)C3[NH+]=c4ccccc4=C23)cc1OCC,0
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+CC1CCCC[NH+]1CCCNC(=O)CCCn1c(=O)c2cccn2c2ccc(Br)cc21,0
+CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)C2Cc3cc(NS(C)(=O)=O)ccc3N2)CC1,0
+O=C(Nc1ccc2c(c1)OCCO2)C1=CC2=[NH+]C(c3ccc4c(c3)OCO4)CC(C(F)(F)F)N2N1,0
+CCCCCCCCCCCCCCCCCCCCC1(C(=O)OCC)CCCC1OP(=O)([O-])OCC[N+](C)(C)C,1
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+O=C(CCC1=NC(NC(=O)NC2CCCCC2)SC1)NCCC1=c2ccccc2=[NH+]C1,0
+COc1ccc(C(=O)NCCC2=NNC3CCN(CC4C=c5ccccc5=[NH+]4)CCN23)cc1,0
+C=CCc1cc(C=c2sc3n(c2=O)C(c2ccc(OC)cc2)C(C(=O)OCC)=C(C)N=3)cc(OC)c1O,0
+Cc1ccc(C(Nc2cc(C)cc[nH+]2)c2c(NC(=O)c3ccco3)sc3c2CCCC3)cc1,0
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+CCCCNC(=O)N(O)C1N(N=CC2=c3ccccc3=[NH+]C2)C(=S)SC1(C)C,0
+CC(Cn1cc[nH+]c1)NC(=O)NNC(=O)c1cc2c(s1)CCCCCC2,0
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+CC1CCC[NH+](C(C)(C)CNS(=O)(=O)c2ccc3c(c2)CCN3C(N)=O)C1,0
+CCC[NH+]1CCc2c(sc(NC(=O)C3CCCCN3S(=O)(=O)c3cccs3)c2C(=O)OC)C1,0
+O=C(Nc1ccc(Cl)c([N+](=O)[O-])c1)C(c1ccccc1)[NH+]1CCN(c2cccc(C(F)(F)F)c2)CC1,0
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+O=C(CNC(=O)CC1[NH+]=NC(=O)c2ccccc21)NCCC1=c2cc(F)ccc2=[NH+]C1,0
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+CCC1CCCC[NH+]1CCCN1C(=O)c2cc3sccc3n2CC1(C)C(=O)NC1CCCCC1,0
+Cc1ccc2c(c1)=[NH+]C(CNC(=O)C1[NH+]=C(Cn3nc(-c4ccc(F)cc4)ccc3=O)NO1)[NH+]=2,0
+C[NH+]1CCCC1NCNc1ncccc1-c1nnc(Nc2ccc3c(c2)OCCO3)o1,0
+CCOCCN(CC(O)CN1CCCC2(CCc3cc(C#N)ccc3O2)C1)S(=O)(=O)c1c(C)cccc1C,1
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+COc1ccc2[nH]c(C)c(C(O)C[NH+]3CCC4(CC3)CC(O)c3ccccc3O4)c2c1,0
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+COc1ccc2c(c1)=C(CCN1CC(C(=O)NC3NNC(C(C)C)S3)CC1=O)C[NH+]=2,0
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+[H]N=C1Nc2[nH+]c3cc4c(cc3n2C(c2csc(-c3ccc(Cl)cc3)n2)N1)OCCCO4,0
+Cc1cc(C)nc(NC(=NC(=O)Nc2cccc([N+](=O)[O-])c2)NCCC2=c3ccccc3=[NH+]C2)n1,0
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+O=C1C(c2[nH]c3ccc(S(=O)(=O)[O-])cc3c2[O-])=[NH+]c2c1cc(S(=O)(=O)[O-])cc2S(=O)(=O)[O-],0
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+CCCCC(=O)N1CC(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,0
+CCCCC(CC)C(=O)N1CCN(C(=O)CC[NH+]2CCc3sccc3C2c2ccc(C)cc2)CC1C,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCC3CCCNC3)c21,1
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+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1,1
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OC3CCNCC3)c21.O=C(O)C(F)(F)F,1
+CC(=O)Nc1cccc(NC(=O)C2=CC3=[NH+]C(c4ccco4)CC(C(F)(F)F)N3N2)c1,0
+COc1ccc(C2C3=C([NH+]=C4N=C(SC)NN42)c2cc(Cl)ccc2OC3c2ccc(C)cc2)cc1,0
+CC1=CC=CN2CC(CN3CCN(C(=O)C4[NH+]=c5ccc(Cl)cc5=C4C)CCC3=O)=NC12,0
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+CC1CCc2c(sc(NC(=O)CSc3nnc(C(C)[NH+](C)C)n3-c3ccc(F)cc3)c2C#N)C1,0
+CC(Oc1ccccc1F)C(=O)Oc1ccc2c(c1)OC(N)=C(C#N)C2c1ccc(Cl)cc1Cl,0
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+CC(C)C(Oc1ccccc1)C(=O)N1CC(C(=O)NCCOc2ccccc2F)C2(CC[NH2+]CC2)C1,0
+CC(O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1,1
+C[NH+]1CCCC(CNC(=O)c2cc(NCC3CC=CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1,0
+CCCC[NH+](CCCNC(=O)c1ccc2c(c1)N(C)C(=O)C(=Cc1cccc(C)c1)S2)Cc1ccccc1,0
+CSCCC(NC(=O)CCCc1ccccc1)C(=O)N1CCC2(CC1)NCCc1[nH]c[nH+]c12,0
+COc1ccc(C2CN3C(=O)CN(Cc4c(F)cccc4Cl)C(=O)C3(C)C3[NH+]=c4ccccc4=C23)cc1,0
+O=[N+]([O-])c1ccc(Oc2ccc(C=Nc3ccc(-c4nc5ccccc5s4)c(O)c3)cc2)c([N+](=O)[O-])c1,0
+CC(C)Sc1cc(-c2ccc(CC[NH2+]CC(O)c3c[nH+]ccc3N)cc2)ccc1C([O-])=NS(C)(=O)=O,0
+C=CCN1C(CC2=c3ccccc3=[NH+]C2)NNC1SCC(=O)Nc1ccc(C)cc1C,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCCC1c1ccc2c(c1)OCCO2,0
+COc1ccc(C2C3CCCCC3(O)CC[NH+]2CC(=O)Nc2cccc3ccccc23)c(OC)c1,0
+COc1cc(C2Nc3ccc(S(=O)(=O)N4CCC(C)CC4)cc3C3C=CCC32)ccc1O,0
+NC(=O)Cn1cc(C[NH2+]C2CCCN(c3nc4ccccc4s3)C2)c2ccccc21,0
+CC1CC(C)C[NH+](CCCCNC(=O)NNC(=O)c2cn(C)c3ccccc23)C1,0
+CCOC(=O)c1c(NC(=O)C2CCCN(S(=O)(=O)c3ccc(C)cc3)C2)sc2c1CC[NH+](C)C2,0
+CCC[NH+]1CCc2c(sc(NC(=O)c3ccc(S(=O)(=O)N(C)c4ccccc4)cc3)c2C(=O)NC)C1,0
+CCCN(C(=O)CC(=O)[O-])C1=C(C)CC(c2ccc(C(N)=[NH2+])cc2)N(C(C)c2ccc(OC)cc2)C1=O,0
+Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCC(C(=O)N5CCOCC5)CC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+COc1ccc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(c4ccccc4C(=O)NCC(C)C)C(=O)N32)cc1,0
+[H]N=C1C(C#N)C2=CC[NH+](C)CC2C(c2ccc(OCC(N)=O)c(OC)c2)C1(C#N)C#N,0
+C[NH+]1CCc2c(sc(NC(=O)C3CCCN3S(=O)(=O)c3ccc(F)cc3)c2C(N)=O)C1,0
+CC(c1nc(-c2cccc(C(F)(F)F)c2)no1)N1CC[NH+](CC(=O)Nc2cc(F)ccc2F)CC1,0
+O=C(Nc1ccc(N2CCc3ccccc3C2)c(C(=O)N2CCCCC2)c1)c1ccc([N+](=O)[O-])cc1Cl,0
+O=C(C=Cc1ccc([N+](=O)[O-])cc1)Nc1ccc(N2CCCC2)c(C(=O)NCCc2ccccc2)c1,0
+Cc1ccc(C)n1C1C=CSC1C1C=C([NH+]=c2c(C=O)coc3ccc(F)cc23)N=N1,0
+CCc1cccc2c1=[NH+]CC=2C(=O)CSC1NNC(c2ccc(C)cc2)[NH+]1CC(=O)[O-],0
+CCn1cc[nH+]c1CNCc1ccc(OCC(O)C[NH+]2CCSCC2)c(OC)c1,0
+C[NH+]1CCC=C(c2nsnc2OCCCC[NH2+]CCCCNc2c3c([nH+]c4ccccc24)CCCC3)C1,0
+C=CCN1C(=O)NC(c2cccc(Cl)c2)C2=C1CN(CC(=O)NCC[NH+]1CCCCC1)C2=O,0
+O=C(NCCSCc1ccccc1)C1CN(C(=O)c2ccc(C(F)(F)F)c(F)c2)CC12CC[NH2+]CC2,0
+O=C1NC(=O)C2(CCC(C(=O)NCC3CCC[NH+]3CC3CCCCC3)CC2)N1,0
+Cc1occc1-c1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1ccc2[nH]nc(C)c2c1,1
+CCOCCN(CC(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1)S(=O)(=O)c1c(C)cccc1C,1
+Cc1ccc(C(=O)C2C(c3ccc([N+](=O)[O-])cc3)C3CSC[NH+]3C23C(=O)Nc2ccc(C)cc23)cc1,0
+O=C(CC1CSC(NC(=O)c2cnccn2)N1)NCCC1=c2ccccc2=[NH+]C1,0
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1
+CCC(=O)Nc1ccc(C(C)NC(=O)c2cc(NS(=O)(=O)c3cccc([N+](=O)[O-])c3)ccc2O)cc1,0
+COc1ccc(CN2C(=O)c3cc4ccccc4n3CC2(C)C(=O)NCCC[NH+]2CC(C)CC(C)C2)cc1,0
+CCOC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccccc1F,1
+CCC1CC2=c3ccccc3=[NH+]C2C(c2c([O-])[nH]c(=O)n(-c3ccc(OC)cc3)c2=O)[NH2+]1,0
+CCOC(=O)C1=C(C[NH2+]C2CC(C)(C)NC(C)(C)C2)NC(=O)NC1c1ccc2c(c1)OCO2,0
+O=C(NN=CC1C=c2ccccc2=[NH+]C1=O)C(=O)Nc1ccccc1C(=O)Nc1ccc(Cl)cc1,0
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)nc12,1
+CCCCCCOc1ccc(C(=O)Nc2nc(-c3ccc(C)cc3)c(NC(=O)c3ccco3)s2)cc1,0
+COc1ccccc1C(=O)N1CC(C(=O)NCCNC(=O)Cc2cccc3ccccc23)C2(CC[NH2+]CC2)C1,0
+CCOc1ccccc1C(=O)C1C2CCC[NH+]2C2(C(=O)Nc3c(C)cccc32)C12C(=O)Nc1ccccc12,0
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+NC(=O)c1ccccc1OCc1nc2ccccc2c(=O)n1[NH+]=Cc1cc(Br)ccc1[O-],0
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+NC(=O)c1c(NC(=O)C[NH+]2CCC(C(=O)c3ccc4c(c3)OCCO4)CC2)sc2c1CCCC2,0
+Cc1cc(-c2cn(CCNC3CC3)c(C3CCN(c4ncnc(N)c4-c4cn[nH]c4)CC3)n2)ccc1F,1
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+COc1ccc(SCC(=O)Nc2sc3c(c2-c2nc4ccccc4s2)CC[NH+](C(C)C)C3)cc1,0
+[H]N=CCCN(CCC=N[H])c1ccc(C=C2CN(NC(=O)c3ccc(Cl)cc3)C(c3ccccc3)=[NH+]2)cc1,0
+O=C(C[NH+]1CCCC(Oc2ccc(Cl)cc2)C1)Nc1ccc(Br)c2ccccc12,0
+CCOc1cccc2sc(N(CC[NH+](C)C)C(=O)C3CCCN(S(=O)(=O)c4cccs4)C3)nc12,0
+COc1ccc2c(c1)=C1CCN3C(=O)N(c4ccccc4C(=O)NC(C)c4ccccc4)C(=O)C3(C)C1[NH+]=2,0
+NC(NC1CC1c1cccc(C(F)(F)F)c1)=[NH+]CC1CCCO1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1-c1ccc(C(=O)O)cc1,1
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+Cc1ccc(OCC(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4cc(C(C)C)ccc4o3)c2)cc1,0
+CC12CCC(=NNC(N)=S)CC1CCC1C2CCC2(C)C(C3=CC(=O)OC3)CCC12O,0
+CC(C(=O)Nc1sc2c(c1C(N)=O)CCC2)[NH+]1CCCC1c1cccs1,0
+CCOc1ccc(-n2c(C(C)[NH+]3CCN(C(=O)Nc4ccccc4C)C(C)C3)nc3ccccc3c2=O)cc1,0
+Cc1[nH]nc2ccc(-c3cc(OCC(N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,1
+Cc1cc(O)c(C[NH+]2CCN(c3ccc(F)cc3)CC2)c2c1C(=O)C(=Cc1c(F)cccc1Cl)O2,0
+CC(=Cc1ccccc1)CN(CC1CCN(C(=O)CCCCC[NH3+])CC1)C(=O)c1cccs1,0
+COc1cc2ncc3c(N)nc(-c4cncc(OCC(N)Cc5c[nH]c6ccccc56)c4)cc3c2cc1OC,1
+CN(CC(CC[NH+]1CCC2C(CCN2C(=O)OC(C)(C)C)C1)c1ccccc1)S(=O)(=O)c1ccccc1,0
+COc1ccc2c(c1)=[NH+]C(SCC(=O)C1=C([O-])N(C)C(=O)N(CC(C)C)C1N)[NH+]=2,0
+C=CCn1c(=NC(=O)c2ccc(S(=O)(=O)N3CC(C)CC(C)C3)cc2)sc2cc(NC(C)=O)ccc21,0
+O=C(NC(=O)N(C(=O)NC1=[NH+]C2CCCCC2N1)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1,0
+CC[NH+]1CCc2c(sc3c2C(O)=NC(c2ccc(OCc4ccccc4Cl)cc2)N3)C1,0
+COC(=O)C1Cc2c([nH]c3ccccc23)C2CC([NH2+]C3CC3)CC(c3ccc(C(F)(F)F)cc3)[NH+]12,0
+CC(C)CN1CC([NH2+]Cc2ccc(OCc3ccccc3)cc2)CC1C(=O)NCCc1ccccc1F,0
+CCOC(=O)c1ccccc1COCc1cc(C2[NH2+]C(C(=O)OC)Cc3c2[nH]c2ccccc32)ccc1OC,0
+CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2C1c1ccc(SC)cc1,0
+CC(C)Nc1ccc[nH+]c1N1CCN(C(=O)C2Cc3cc(NS(C)(=O)=O)ccc3N2)CC1,0
+COc1ccccc1NC(=O)C1=C(C)NC(SCC(=O)Nc2ccccc2C)=C(C#N)C1c1ccco1,0
+COc1ccc2c(c1)=C1CCNC(C3C(=O)N(c4cccc(C)c4C)C(O)N=C3O)C1[NH+]=2,0
+CC1CC(C)C[NH+](Cc2csc(=NC(=O)c3ccc(CNC(=O)NC(C)C)cc3)[nH]2)C1,0
+CN1C=C(C[NH2+]CCSc2cn[nH]n2)C(c2ccc(Oc3ccccc3)cc2)N1,0
+C#CC1(O)CCC2C3CCC4=CC(=NOCC(=O)NCCc5c[nH+]c[nH]5)CCC4(C)C3CCC21C,0
+CC(F)(C(=O)N1CCc2c(F)cccc21)c1nc(N2CCOCC2)cc(=O)[nH]1,1
+O=C(Nc1csc(-c2nncn2C2CC2)n1)c1cc(-n2cnc(C3CC3)c2)c(N2CCN(CC(F)(F)F)CC2)cn1,1
+COCCNCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1,1
+Cc1n[nH]c2ccc(-c3cc(OCC(N)Cc4c[nH]c5cccnc45)cnc3-c3ccoc3)cc12,1
+Cc1cc(C)c(NC(=O)CSc2nc3ccc(N=Cc4c(O)ccc5ccccc45)cc3s2)c(C)c1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCCN)cc21,1
+CCCCNC(=O)N(CC[NH+]1CCN(C(=O)Nc2cccc3ccccc23)CC1)CC1=CCC2CC1C2(C)C,0
+Cc1ccsc1CCNC(=O)c1ccc(C2CCCN2C(=O)C[NH3+])s1,0
+CC[NH+](CC)CCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(O)cc1)N2,0
+Cn1cccc1C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+Cc1cc(C)c(NC(=O)C2(N(Cc3ccco3)C(=O)CN3C(=O)c4ccccc4C3=O)CCC3Cc4ccccc4CC3C2)c(C)c1,0
+COc1ccc(C2NCCc3c2[nH]c2ccccc32)cc1C[NH+]1CCc2cc(OC)c(OC)cc2C1C,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2N(C)CC(=O)N3)C2CC21)c1ccc(Cl)cc1,1
+Cc1n[nH]c2ccc(-c3cncc(OCC(N)Cc4ccc5c(c4)OCO5)c3)cc12,1
+CCOC(=O)c1c(C)n(-c2ccc(C)cc2)c2ccc(OCC(O)C[NH2+]C(CC)CO)cc12,0
+O=C1C(=Cc2ccccc2)CCC1C1=[NH+]CCN1C1CC(=O)N(c2ccccc2)C1=O,0
+Cc1ccc2c(c1)SC(NC(=O)C1CC(=O)N(CCC3=c4cc(F)ccc4=[NH+]C3)C1)N2,0
+COc1ccc(CN2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5c(C)cccc54)C3C2=O)cc1,0
+COc1ccc(C(=O)N2CC(C(=O)NCCC3=c4cc(C#N)ccc4=[NH+]C3C)C3(CC[NH2+]CC3)C2)cc1OC,0
+COc1ccccc1-n1c(-c2cccs2)nn(C[NH+]2CCCCC2CNS(C)(=O)=O)c1=S,0
+O=C1N=C(NNC(=S)NC2CCCCC2)[NH+]=C2c3ccccc3CC3(CCCC3)C12,0
+CC[NH+](CC(=O)Nc1cc(Cl)ccc1C)Cc1cc(=O)oc2cc(C)c(Cl)cc12,0
+COc1cc(-c2ccc3c(c2)Nc2ccc(C(=O)NCc4cccc(F)c4)cc2NC3=O)ccc1O,1
+NC(COc1cncc(C=Cc2ccnc(NC3CC3)c2)c1)Cc1c[nH]c2ccccc12,1
+CCOC(=O)C1=C(C)N=c2sc(=Cc3ccc(N4CC[NH+](C)CC4)o3)c(=O)n2C1c1c(OC)ccc2ccccc12,0
+COc1ccccc1C(=O)N1CC(C(=O)NC(C)c2nc3ccc(C)cc3[nH]2)C2(CC[NH2+]CC2)C1,0
+O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(c1ccccc1)[NH+]1CCc2ccccc2C1,0
+COCCNC(=O)c1ccccc1N1C(=O)C2CC3=c4ccccc4=[NH+]C3C(c3ccccc3)N2C1=O,0
+CC(C)CNC(=O)C(CC(C)C)NC(=O)C1CC2=c3ccccc3=[NH+]C2C2c3ccccc3C(=O)N12,0
+CC[NH+](CC)CCCNC(=S)NNC(=O)c1cnn2c1NC(c1ccccc1)CC2C(F)F,0
+COC1C(N(C)C(=O)c2ccccc2)CC2OC1(C)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1
+CCOc1ccc(N2C(=S)NC3c4cccc(OC)c4OC2(C)C3C(=O)Nc2ccc(C)cc2C)cc1,0
+CCOC(=O)c1c(NC(=O)C23CCC(C)(c4nc5ccccc5nc42)C3(C)C)sc2c1CC[NH+](C)C2,0
+C=CCn1c(COc2ccccc2F)nnc1SCc1nc(N)nc(Nc2ccccc2CC)n1,0
+CC1(C)Cc2c(sc3nc(N4CC[NH+](CC(N)=O)CC4)n(CC(=O)NC4CCCCC4)c(=O)c23)CO1,0
+CC(O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1,1
+Cc1ccccc1Nc1nc(N)nc(C[NH+]2CCc3sccc3C2c2cccs2)n1,0
+CCC(C)N1C(=O)c2sccc2N2C(CCCC(=O)NCCC3=c4ccccc4=[NH+]C3)NNC12,0
+Cc1nn(-c2ccc([N+](=O)[O-])cc2[N+](=O)[O-])c(C)c1C=N[N-]S(=O)(=O)Cc1ccccc1,0
+Cc1cc[nH+]c(NC(c2ccccc2F)c2cc(C)sc2NC(=O)c2ccco2)c1,0
+CNC1CC2OC(C)(C1OC)n1c3ccccc3c3c4c(c5c6ccccc6n2c5c31)C(=O)NC4,1
+CC(=O)Oc1cccc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c1C,0
+Cc1ccc(C)c(NC(=O)C2CCN(c3c(C(=O)N4CCC(C)CC4)c[nH+]c4snc(C)c34)CC2)c1,0
+CC(O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1,1
+CCc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4F)C3)c12,1
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1,1
+CC(NC(=O)C[NH+]1CCN(c2ccc(C(F)(F)F)cn2)CC1)C(c1ccccc1)N1CCOCC1,0
+COc1ccc2c(c1)=C1CCNC(C3C(=O)N(C(C)c4ccccc4)C(O)N=C3O)C1[NH+]=2,0
+CCOC(=O)C1=C(N)OC2=C(C(=O)CCC2)C12C(=O)N1c3c(cc(F)cc32)C(C)CC12CCCC2,0
+O=C(CCc1nc2sc3c(c2c(=O)[nH]1)CCCC3)NCCNc1[nH+]cc(C(F)(F)F)cc1Cl,0
+O=c1c(C2[NH2+]CCc3c2[nH]c2ccccc32)c(O)[nH]c(=S)n1-c1ccc(Br)cc1,0
+Cc1cccc(C)c1S(=O)(=O)N1CCCC1C(O)CN1CCCC2(CCN(c3ncnc(N)c3C3CC3)C2)C1,1
+COc1ccc2c(c1)CCC(=CNc1ccc(S(=O)(=O)N=C3C[NH+]=c4ccccc4=[NH+]3)cc1)C2=O,0
+NS(=O)(=O)c1ccc([NH+]=c2oc3ccc([N+](=O)[O-])cc3cc2C(=O)Nc2ccccc2F)cc1,0
+CC(=O)NC1C(Oc2ccc3c(c2)CCC2C3CCC3(C)C(=O)CCC23)OC(CO)C(O)C1O,0
+CCOC(=O)C1CCC[NH+](Cc2c(O)cc(C)c3c2OC(=Cc2cn(C)c4ccc(OC)cc24)C3=O)C1,0
+Cn1ncc(Cl)c1-c1cc(C(=O)NC2CNC(CC(N)=O)CC2c2ccc(Cl)c(Cl)c2)oc1Cl,1
+CC[NH+](CC)CCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1ccc(SC)cc1)N2,0
+CC(C(=O)Nc1ccc(C(N)=O)cc1)[NH+]1CCCC1c1ccc2c(c1)OCCCO2,0
+Cc1nc2sc(C(=O)OCC(=O)N(C3CCCCC3)C3CCS(=O)(=O)C3)c(C)c2c(=O)[nH]1,0
+O=C1C2C(c3ccccc3O)[NH2+]C(CC3=c4ccccc4=[NH+]C3)(C(=O)[O-])C2C(=O)N1c1ccccc1,0
+CCC1(c2ccc(NC(=O)C(=O)NCCC3=c4ccccc4=[NH+]C3)cc2)CCC(=O)NC1=O,0
+Cc1n[nH]c2ncc(-c3cc(OCC(N)Cc4c[nH]c5ccccc45)cnc3-c3ccoc3)cc12,1
+CCc1ccc(S(=O)(=O)NC2c3cc(C(=O)N(CC)c4cccc(C)c4)cnc3OC(C)(C)C2O)cc1,0
+NC(Cc1c[nH]c2ccccc12)C(=O)Nc1cncc(C=Cc2ccncc2)c1,1
+C=CCOC(=O)C1=C(C)NC(SCC(=O)Nc2c(C)cccc2C)=C(C#N)C1c1ccc(O)c(OC)c1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCC(N)Cc3ccccc3)c21,1
+Cc1occc1-c1ncc(OCC(N)Cc2c[nH]c3ccccc23)cc1-c1cnc2[nH]nc(C)c2n1,1
+O=C(Nc1cccc(S(=O)(=O)N2CCOCC2)c1)C(c1ccccc1)[NH+]1CCc2ccccc2C1,0
+O=C(NCCC1=c2ccccc2=[NH+]C1)C1NN(c2ccc(Cl)cc2)N=C1CO,0
+Cc1c(C(=O)Oc2ccc3c(c2)OC(N)=C(C#N)C3c2ccccc2F)oc2ccc(F)cc12,0
+NC(COc1cncc(-c2ccc3c(c2)C(c2ccc[nH]2)C(=O)N3)c1)Cc1c[nH]c2ccccc12,1
+C[NH+]1CCCC(CNC(=O)c2cc(NCC3CC=CCC3)cc(S(=O)(=O)NC(C)(C)C)c2)C1,0
+COCCNC1=C(c2nc3ccccc3s2)C([NH3+])C(C(=O)c2ccc(OC(F)F)cc2)S1,0
+C=CCSc1nc2ccc(NC(=O)CSc3n[nH]c(NN=Cc4ccc(C)cc4)n3)cc2s1,0
+CCN(CC)c1ccc(N2CCN(C(=O)C3(C)CCc4c(C)c(O)c(C)c(C)c4O3)CC2)[nH+]c1N(CC)CC,0
+O=C(CC1NOC(C(=O)NCCC2=c3cc(F)ccc3=[NH+]C2)N1)NCc1ccccc1,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(C(F)(F)F)c(F)c4)cn3CCN3CCCCC3)CC2)c1C1CCC1,1
+Nc1ncccc1-c1nc2ccc(-c3cccnc3)nc2n1-c1ccc(CNC(=O)c2cccc(F)c2)cc1,1
+COc1ccc(NC(=O)SCc2nnc3n(CCc4ccccc4)c(=O)c4c5c(sc4n23)CCCC5)cc1,0
+C=CC1(C)CC(OC(=O)CSCC[NH+](CC)CC)C2(C)C(C)CCC3(CCC(=O)C32)C(C)C1O,0
+CCOC(=O)c1c([NH+]=c2oc3ccc(Cl)cc3cc2C(=O)Nc2cccc(C)c2)sc2c1CCCC2,0
+CCNC(=O)Nc1ccc(CNc2ncsc2C(=O)Nc2ccc3c(c2)OC(F)(F)O3)cn1,1
+CCCCC(C)C(=O)N1CC(C(=O)NC(C)CCc2ccc(OC)cc2)C2(CC[NH2+]CC2)C1,0
+Cc1cc(-c2cn(CCN3CCCC3)c(C3CCN(c4ncnc(N)c4C(N)=O)CC3)n2)ccc1F,1
+COc1ccc2c(Oc3ccc(NC(=O)c4c(C)n(CC(C)(C)O)n(-c5ccccc5)c4=O)nc3)ccnc2c1,1
+CCOC(=O)c1c(C)oc2c1c(C(c1ccc(Cl)cc1)N1CC[NH+](CC)CC1)c(O)c1ccccc12,0
+CCOC(=O)C1C(c2ccc([N+](=O)[O-])cc2)c2c(nc(SCC)[nH]c2=O)NC1(O)c1ccccc1,0
+CCC[NH+]1CCc2c(sc(NC(=O)C3CCCN3S(=O)(=O)c3cccs3)c2C(=O)OC)C1,0
+O=C(CCC1=NC(NC(=O)NC2CCCCC2)SC1)NCCC1=c2ccccc2=[NH+]C1,0
+NC(=O)c1c(NC(=O)C2CCN(c3[nH+]cc(C(F)(F)F)cc3Cl)CC2)sc2c1CCCC2,0
+COc1ccc(OC)c(NC(=O)C2CC(C(C)C)[NH2+]C23C(=O)Nc2c(C)cc(C)cc23)c1,0
+CC(=O)NC1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1,1
+O=C(C1CC(c2ccccc2)N(c2ccccc2)O1)N1CCN(c2[nH+]cc(C(F)(F)F)cc2Cl)CC1,0
+O=C1Cc2ccc(NC(COc3cncc(-c4ccc5c(c4)NC(=O)C5)c3)Cc3c[nH]c4ccccc34)cc2N1,1
+CC(C)CSc1nc(N2CC[NH+](CC(=O)NC3CCCCC3)CC2)c2c3c(sc2n1)COC(C)(C)C3,0
+CCN(CC)c1ccc(C2C3CCCCC3(O)CC[NH+]2CC(=O)Nc2sc(C)c(C)c2C(=O)OC)cc1,0
+COc1ccc2c(c1)=C(CCNC(=O)C1NC(CC(=O)Nc3ccccc3)NO1)C[NH+]=2,0
+O=C(NCC1CCCO1)c1coc(C[NH+](Cc2ccc3c(c2)OCO3)Cc2cccc(Cl)c2Cl)n1,0
+CCOc1ccc(C(=O)NC(=S)Nc2cc(C)c(O)c(-c3nc4ccccc4o3)c2)cc1[N+](=O)[O-],0
+CC(C)(C)C(=O)N1CCN(c2cccc(-c3ccc4nc(-c5cccnc5N)n(-c5ccc(C6(N)CCC6)cc5)c4n3)c2)CC1,1
+Cc1cccc(NC(c2ccc(Cl)cc2)c2c(NC(=O)c3ccco3)sc(C)c2C)[nH+]1,0
+CC1=C(C(=O)Nc2ccccc2)C(c2cccs2)C(C#N)C(SCC(=O)Nc2cc(C)ccc2C)=N1,0
+COc1ccc(C(CNc2ccc(S(=O)(=O)N3CCOCC3)cn2)C2=c3ccccc3=[NH+]C2)cc1,0
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CNC(=O)c5cccc(F)c5)cc4)c3n2)c1,1
+c1ccc2c(CC(COc3cncc(-c4cc5ccncc5s4)c3)Nc3cc4ccncc4s3)c[nH]c2c1,1
+O=C(NCc1cc2cc(Cl)ccc2[nH]1)C1CC2[NH2+]C(c3ccc4c(c3)OCO4)CC(C(F)(F)F)N2N1,0
+CCCCC1NNC(NC(=O)C2CC(=O)N(CCC3=c4cc(F)ccc4=[NH+]C3)C2)S1,0
+O=C(NC(=O)N(C(=O)NC1=[NH+]C2CCCCC2N1)c1ccc(Cl)cc1)Nc1ccc(Cl)cc1,0
+[H]N=C(Nc1nc(C)cc(C)n1)N(CCC1=c2ccccc2=[NH+]C1)C(=S)Nc1ccc(F)cc1,0
+CCCSc1nc2ccc(NC(=O)CSc3n[nH]c(NN=C(C)c4ccc(N)cc4)n3)cc2s1,0
+FC(F)(F)C1CC(c2ccc(Cl)cc2)[NH+]=C2C=C(c3n[nH]c(=S)n3Cc3ccccc3)NN21,0
+NC(=O)c1c(Nc2nc(NCCc3cccs3)nc3c2cnn3-c2ccccc2)sc2c1CCCC2,0
+CCOc1ccccc1NC(=O)c1oc2ccccc2c1NC(=O)C1CC(=O)N(c2ccc(C)cc2)C1,0
+Cc1ccn(-c2ccc(C(=O)N3CCN(c4cc(C)[nH+]c(C(C)C)n4)CC3)cc2)n1,0
+Cc1n[nH]c2ncc(-c3cc(OCC(N)Cc4c[nH]c5ccccc45)c(C#N)nc3-c3ccoc3)nc12,1
+O=C1CC([NH+]2CCN(c3nc4ccccc4s3)CC2)C(=O)N1c1ccc2c(c1)OCO2,0
+CCC(=O)Nc1ccc(S(=O)(=O)NCC(c2ccc3c(c2)CCCN3C)N2CC[NH+](C)CC2)cc1,0
+Cc1noc(C)c1S(=O)(=O)N(CCOC(C)C)CC(O)CN1CCCC2(CC(=O)c3cc(O)ccc3O2)C1,1
+COc1cccc(C=NC2(C)CC([NH+]=Cc3cccc(OC)c3O)c3cccc(OC)c3O2)c1O,0
+Cn1c(=O)n(CC[NH+]2CCCCC2)c(=O)c2c1nc1n2CC(C(C)(C)C)=NN1CC(=O)NN,0
+NC(COc1cncc(-c2ccc3[nH]c(=O)oc3c2)c1)Cc1c[nH]c2ccccc12,1
+Cc1cc[nH+]c(N2CCN(CCc3c(C)n4c5c(cc(C(=O)C=Cc6ccccc6)cc35)CCC4)CC2)c1,0
+COc1ccc(OC)c(NC(=O)C2C(O)CCC3C[NH+]4CCc5c([nH]c6ccccc56)C4CC32)c1,0
+Cc1ccc(C(=O)Oc2ccc(Br)cc2C=NNC(=O)COc2ccccc2[N+](=O)[O-])cc1,0
+CCCCOc1ccc(C(C)(O)C(C[NH+]2CCN(C3CCCCC3OC)CC2)c2ccccc2)cc1,0
+Nc1ccc(-c2cncc(OCC(N)Cc3c[nH]c4ccccc34)c2)cc1C(=O)c1ccccc1,1
+Nc1ncccc1-c1nc2ccc(-c3cccc(N4CCC(C(=O)N5CCOCC5)CC4)c3)nc2n1-c1ccc(C2(N)CCC2)cc1,1
+Cc1nn(-c2ccccc2)c(C)c1C1C(=O)NCC[NH+]1CC(=O)NC(=O)NCc1ccco1,0
+Cc1ccc(C)c2nc(O)c(C(c3nnnn3C(C)(C)C)[NH+]3CC=C(c4ccc(F)cc4)CC3)cc12,0
+CC1(C(=O)Nc2ccc(F)nc2)CCCN1c1nc(Nc2cc(C3CC3)[nH]n2)c2cccn2n1,1
+COc1ccc(CCN2CC(=O)N3CC(c4ccc(C)cc4)C4=c5ccccc5=[NH+]C4C3(C)C2=O)cc1OC,0
+Cc1cc(NC(=S)NC(=O)c2ccc(-c3ccccc3)cc2)cc(-c2nc3cc(C(C)C)ccc3o2)c1O,0
+O=C(CCCCC1SCC2NC(=O)NC21)NCC[NH+]1CC=C(C2=c3ccccc3=[NH+]C2)CC1,0
+Cc1ccc2c(c1C)NC(=O)C21[NH2+]C(C(C)O)C2C(=O)N(CCc3ccccc3)C(=O)C21,0
+CC(C)(Cc1ncc[nH]1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+CC1NNC(=O)C2=C1C(C)OC2NC(=O)C[NH+]1CCC2=C(CCS2)C1c1ccccc1,0
+CC(CCCC(C)(C)O)NC(=O)C1CN(C(=O)C2COc3ccccc3O2)CC12CC[NH2+]CC2,0
+O=C(CC1SC(=Nc2ccc(F)cc2)N(CC[NH+]2CCOCC2)C1=O)Nc1cccc(Cl)c1,0
+CN1Cc2c(N3CCOCC3)[nH+]c3sc(C(=O)c4ccc(Br)cc4)c(N)c3c2CC1(C)C,0
+COCc1cc(C)nc2c1C(N)C(C(=O)NCCC1=c3cc(OC(F)(F)F)ccc3=[NH+]C1C)S2,0
+COc1ccc(OC)c(NC(=O)C2=CC3=[NH+]C(c4ccc5c(c4)OCO5)CC(C(F)(F)F)N3N2)c1,0
+c1ccc2c(CC(COc3cncc(-c4ccc5nonc5c4)c3)Nc3ccc4nonc4c3)c[nH]c2c1,1
+C=C(C)COc1ccc2c(c1C)OC(=O)C(CC(=O)NCCC1=c3cc(F)ccc3=[NH+]C1)C2C,0
+COc1ccc(C(=O)N2CC(C(=O)NC(C(=O)NC(C)(C)C)C(C)C)C3(CC[NH2+]CC3)C2)c(OC)c1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)CC3O)CC1)c1ccc(Cl)cc1,1
+COc1ccc(C=Cc2c3cc(OC)c(OC)cc3cc3c4cc(OC)c(OC)cc4cc[n+]23)cc1OC,0
+CCCCN1C(=O)C(C(=O)NN=C(C)C2C(=O)[NH+]=c3ccccc3=C2O)C(O)c2ccccc21,0
+Cc1c(C(=O)NC2CC(C)(C)[NH2+]C(C)(C)C2)oc2c1C(=NNC(=O)c1ccccc1Cl)CCC2,0
+O=C(C=Cc1cc(F)cc(F)c1)N1CCC(C(CO)[NH+]2CCC(C3=c4cccnc4=[NH+]C3)CC2)CC1,0
+CC1CC1c1ccc(CCC(=O)Nc2cccc(C[NH+]3CCCC3C(N)=O)c2)o1,0
+CC(=O)C1CCC2C3CCC4=CC(=NOCC(=O)NCCc5c[nH]c[nH+]5)CCC4(C)C3CCC12C,0
+COc1cc(C=Cc2cc(C(F)(F)F)nc([O-])n2)ccc1OC1=NC2C(C(=O)N(C)C(=O)N2C)N1C,0
+CCOC1CN(c2cc(N)ncn2)CCC1c1nc(-c2ccc(F)c(C)c2)cn1CCN(CC)C(C)C,1
+COc1ccc(CNC(=O)c2ccccc2N2C(=O)N3CCC4=c5ccccc5=[NH+]C4C3(C)C2=O)c(OC)c1,0
+Cc1ccc(C)c(NC(=O)CSC2Nc3nccnc3C(=O)N2CCC2=c3ccccc3=[NH+]C2)c1,0
+CCc1cccc2c1=[NH+]CC=2C(=O)CSC1NNC(c2ccc(C)cc2)[NH+]1CCC(=O)[O-],0
+CC[NH+](CC)CCNC(=O)CON=C1C=C2CCC3C(CCC4(C)C(O)CCC34)C2(C)CC1,0
+Cc1c[nH]c2ncnc(N3CCC(N)(CNC(=O)c4ccc(F)cc4F)C3)c12,1
+CC1CCCC(C)[NH+]1CCCN1C(=O)c2cc3occc3n2CC1(C)C(=O)NC1CCCCCCC1,0
+CC(C)(O)C(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1,1
+C[NH+]1CCN(S(=O)(=O)c2ccc(NCCCc3n[nH]c(N)c3C#N)c([N+](=O)[O-])c2)CC1,0
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CC(=O)Nc5ccccc5)cc4)c3n2)c1,1
+CCOc1cc(C=N[NH+]=C(N)c2nonc2N)cc(Br)c1OCc1ccc(Cl)cc1,0
+COc1ccc2c(c1)=C1CCN(C(=O)Nc3cc(Cl)ccc3C)C(c3ccc(F)cc3)C1[NH+]=2,0
+CC(C)(Cc1cc[nH]c1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+CC(O)CNC(=O)c1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(C5(N)CCC5)cc4)c3n2)c1,1
+NC(CNc1cncc(Oc2cccc3cnccc23)c1)Cc1c[nH]c2ccccc12,1
+Cc1ccc(Oc2c(C(F)(F)F)oc3cc(OCC(=O)Nc4ccc(Cl)cc4C)ccc3c2=O)cc1,0
+CCc1cccc2c1=[NH+]CC=2C(=O)CSC1NNC(c2cccc(C)c2)[NH+]1CC(=O)[O-],0
+O=C(NCc1ccc2c(c1)OCCO2)C1CN(C(=O)c2ccc(F)c(C(F)(F)F)c2)CC12CC[NH2+]CC2,0
+COc1ccc(C(CNC(=O)c2c3c(nc4ccccc24)CCN(Cc2ccccc2)C3)[NH+]2CCCC2)cc1,0
+CC1[NH+]=c2ccc(OC(F)(F)F)cc2=C1CCNC(=O)C1Cc2cc(Br)ccc2OC1=O,0
+CC(C)C(=O)NCC1CCC[NH+](CC(=O)Nc2c(C#N)c3c(n2-c2ccccc2)CCCC3)C1,0
+COc1cc(C2[NH2+]C(CCCC[NH3+])(C(=O)[O-])C3C(=O)N(C4CCCCC4)C(=O)C23)cc(OC)c1O,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OC(CN)c3ccccc3)cc21,1
+NC(COc1cncc(-c2ccc3cnc(-c4ccccc4)cc3c2)c1)Cc1c[nH]c2ccccc12,1
+CCOC(=O)C1NN(C2C=C(c3ccc(OC)cc3)N=N2)C([NH3+])=C(c2nc3ccccc3s2)C1C,0
+Cc1ccc(NC(=O)CSC2N=NC(C(CC3=c4ccccc4=[NH+]C3)NC(=O)OC(C)(C)C)O2)c(C)c1,0
+Cc1cccc(Cl)c1NC(=O)c1ccc2nc(Nc3cc(N)cc[nH+]3)sc2c1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)OC(=O)N3)CC1)c1ccc(Cl)cc1.O=CO,1
+CCCCCOc1ccc2ccccc2c1C1Nc2ccccc2C(=O)N1CC1CCCO1,0
+COc1ccc(C(=O)C2C3C(=O)N(c4cccc([N+](=O)[O-])c4)C(=O)C3C3c4ccccc4C=C[NH+]23)cc1,0
+Oc1ccc(-c2csc(N[NH+]=C3NCC(=Cc4ccc5c(c4)OCO5)S3)n2)cc1O,0
+O=C1C2C(CC3=c4ccccc4=[NH+]C3)NC3(C(=O)Nc4c(Cl)cccc43)C2C(=O)N1Cc1ccccc1,0
+CCN(CC)CC1CN(C(=O)Cc2nc(N3CCOCC3)cc(=O)[nH]2)c2ccccc21,1
+Cc1ccc2cc(C(c3nnnn3CC3CCCO3)[NH+]3CCN(c4ccc(F)cc4)CC3)c(=O)[nH]c2c1C,0
+COc1ccc(C)cc1NC(=O)C([NH2+]C(C)c1ccc(-n2cncn2)cc1)c1ccccc1,0
+CC(C)(C)OC(=O)CCC(NC(=O)c1cccs1)C(=O)NCc1ccc(C(N)=[NH2+])cc1,0
+COc1cc(NC(=O)CSc2nnc(-c3cccc(C)c3)n2CC(=O)[O-])c(Cl)cc1C(=O)[O-],0
+CCOCCN(CC(O)CN1CCCC2(CCN(c3ncnc4ccccc34)C2)C1)S(=O)(=O)c1c(C)cccc1C,1
+CCCN1C(SCC(=O)NCC(C2=c3ccccc3=[NH+]C2)c2ccc(OC)cc2)=NNC1O,0
+O=C1CC([NH+]2CCc3c([nH]c4ccccc34)C2)C(=O)N1c1ccc(Br)cc1,0
+O=C([O-])c1cc(S(=O)(=O)Nc2cccc(-c3nnc4n3CCCCC4)c2)c(Cl)cc1Cl,0
+CCOc1ccc(C2C(C#N)=C(SCC(=O)Nc3ccc(C)cc3)NC(C)=C2C(=O)Nc2ccccc2)cc1,0
+CC1CC(O)c2ncnc(N3CCN(C(=O)C(c4ccc(Cl)cc4)C4COCCN4)CC3)c21,1
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)ncc(OCCCNCCc3ccc(OC)cc3)c21,1
+CCc1ccccc1-n1nc(C(=O)NC(C)C(=O)NCc2cccs2)cc1-c1ccc2c(c1)CCCC2,0
+CCCCC(=O)N1CC(C(=O)NCCc2c(C)[nH]c3ccc(C#N)cc23)C2(CC[NH2+]CC2)C1,0
+CC[NH+](CC)CCNC(=O)c1ccc2c(c1)C1C=CCC1C(c1cc(Br)ccc1O)N2,0
+COc1ccc(Br)c(C(=O)N2CC(C(=O)NCCc3cc(C)ccc3C)C3(CC[NH2+]CC3)C2)c1,0
+Cc1ccc(N2N=C(CO)C(C(=O)NCCC3=c4ccccc4=[NH+]C3)N2)cc1,0
+CCc1ccccc1-n1nc(C(=O)NC(C)C(=O)NCCC(C)(C)C)cc1-c1ccc2c(c1)CCCC2,0
+O=C(NCC1CCCO1)c1ccccc1N1C(=O)C2CC3=c4ccccc4=[NH+]C3C(c3ccccc3)N2C1=O,0
+CCOC(=O)c1ccccc1NC(=O)c1cc(C2CC2)nc2c1c(C)nn2C1CCS(=O)(=O)C1,0
+CCCC1CC(c2ccc(Cl)c(Cl)c2)C(NC(=O)c2cc(-c3c(Cl)cnn3C)c(Cl)o2)CN1,1
+CCOC(=O)c1[nH]c2ccc(Br)cc2c1NC(=O)CC[NH+]1CCN(c2ccccc2F)CC1,0
+O=C(Cc1ccc(F)cc1)NCCc1nnc2n1CC[NH+](Cc1ccc(OCCO)cc1)CC2,0
+Nc1ncnc(N2CCC(c3nc(-c4ccc(F)c(C(F)(F)F)c4)cn3CCN3CCC3)CC2)c1-c1cn[nH]c1,1
+CC(=O)Nc1cccc(-c2ccc3nc(-c4cccnc4N)n(-c4ccc(CC(=O)Nc5cccc(F)c5)cc4)c3n2)c1,1
+Cc1ccsc1CCNC(=O)c1ccc(C2CCCN2C(=O)C[NH3+])s1,0
+CC[NH+]1CCc2c(sc(NC(=S)NC(=O)C=Cc3ccc(C)cc3)c2C(N)=O)C1,0
+Cc1cccc(CC(=O)N2CC(C(=O)NCCc3c(C)[nH]c4ccc(C#N)cc34)C3(CC[NH2+]CC3)C2)c1,0
+NC(=O)C1CCCC[NH+]1CC(=O)Nc1cc(Cl)ccc1-n1cncn1,0
+Cc1ccc(NC(=O)C2c3nc4ccccc4nc3N(N=CC3=c4ccccc4=[NH+]C3)C2[NH3+])cc1C,0
+C=CCN1C(CC2=c3ccccc3=[NH+]C2)NNC1SCC(=O)Nc1c(C)cccc1C,0
+Cc1ccc(SCC(=O)Nc2sc3c(c2C(N)=O)CC[NH+](C(C)C)C3)cc1,0
+Cc1ccc(C)c2[nH]c(=O)c(C(c3nnnn3C3CCCCC3)[NH+](Cc3ccco3)CC3CCCO3)cc12,0
+COC(=O)c1c(C)nc(NNC(=O)c2cccc3c(=O)c4ccccc4[nH]c23)nc1-c1ccc(F)cc1,1
+Cc1ccc(C(=O)N2CC(C(=O)NC(C)CCCC(C)(C)O)C3(CC[NH2+]CC3)C2)c(F)c1F,0
+COCc1ccc(C[NH+]2CCc3c([nH]c4ccccc34)C2c2cccc(OC)c2OC)o1,0
+COc1c2c(cc3c1C(CC(=O)c1ccc(-c4cc(Cl)ccc4Cl)o1)[NH+](C)CC3)OCO2,0
+CC1CCCC(NC(=O)C2N(C(C)(C)C)C(=O)C3C(C(=O)Nc4cccc(Cl)c4)C4C=CC32O4)C1C,0
+C=CCNc1[nH+]c2c(s1)CC1(C)CCC(C(C)C(=O)NC3CC3)C(O)C1C2C,0
+COc1ccc(CN2C(=O)C3C(CC(N)=O)[NH2+]C4(C(=O)Nc5ccc(Cl)cc54)C3C2=O)cc1,0
+CC1=C(Oc2ccccc2Br)C(c2ccc(OCC(=O)NN)cc2O)[NH+]=N1,0
+CCN(CC)c1ccc(C=C(NC(=O)c2ccccc2)C(=O)NN=C2C(=O)N(CC)c3ccccc32)cc1,0
+COC(=O)c1ccc(C2C3[NH+]=c4ccccc4=C3CC3C(=O)N(CCc4ccccc4)CC(=O)N32)cc1,0
+CC(C)NCC(C(=O)N1CC2CC1CN2c1ncnc2c1C(C)CC(=O)N2)c1ccc(Cl)cc1,1
+CCSc1ncccc1C(=O)N1CC(C(=O)NC(C)CCCC(C)(C)O)C2(CC[NH2+]CC2)C1,0
+CC(C)NCC(C(=O)N1CCN(c2ncnc3c2C(C)OC(=O)N3)CC1)c1ccc(Cl)cc1,1
+COc1ccc2c(c1)=C(CCNC(=O)CC1C(=O)Oc3c(ccc(O)c3O)C1C)C[NH+]=2,0
+O=C(CSC1NN=C(Cc2cccs2)N1C1CCCCC1)C1=c2ccccc2=[NH+]C1,0
+COCCNC(=O)CCC12CCC(C)(O)CC1C(C)(C)CC2[NH2+]Cc1cccn1C,0
+CCCCCCN1C(C2=c3ccccc3=[NH+]C2)=NNC1SC(C)C(=O)NC(=O)NCC,0
+COc1ccc2c(c1)=C1CCNC(C3C(=O)N(c4ccccc4OC)C(O)N=C3O)C1[NH+]=2,0
+Cc1c(NCCN2CCCC2)cc(C(=O)Nc2ccccc2)cc1N1CCN(c2ncnc3[nH]nc(Br)c23)CC1,1
+CC1Oc2ccccc2C=C1C=NNC(=O)C(CC1=c2ccccc2=[NH+]C1)NC(=O)OC(C)(C)C,0
+C[NH+](C)CCN1CCN(C(=O)c2ccc(C=C3SC(=O)N(Cc4c(F)cccc4F)C3=O)cc2)CC1,0
+CC[NH+]1CCc2c(sc(NC(=O)CCSc3ccc(C)cc3)c2C(N)=O)C1,0
+CC(C)NCC(Cc1ccc(F)c(F)c1)C(=O)N1CCN(c2ncnc3c2C(C)SC3)CC1,1
+CC(C)(Cc1ccco1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+NC1(CNC(=O)c2ccc(F)cc2)CCN(c2ncnc3[nH]cc(Cl)c23)C1,1
+COc1cc(CN(C(=O)c2cnsn2)C2CCCCNC2=O)ccc1OCCC1=CCC2CC1C2(C)C,0
+COc1ccc(C2c3cccn3-c3sc4c(c3CN2C(=O)Nc2cc(C)cc(C)c2)CC[NH+](C)C4)cc1,0
+C[NH+]1CCCC(CNC(=O)c2cc(NCc3ccccc3F)cc(S(=O)(=O)NC(C)(C)C)c2)C1,0
+CC(C)CCN1C(=O)c2sccc2N2C(CCCC(=O)NCCC3=c4ccccc4=[NH+]C3)NNC12,0
+CC(C)(Cc1cc[nH]c1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
+CCCC[NH+]1CCN(c2nc3sc(C)c(CC)c3c(=O)n2CC(=O)Nc2cccc3ccccc23)CC1,0
+CCOC(=O)c1ccc(-n2c(CN3CCN(c4cccc[nH+]4)CC3)nc3ccc([N+](=O)[O-])cc3c2=O)cc1,0
+Cc1cc(Br)ccc1NC(=O)C[NH+](C)C(C)c1nc(N)nc(N(C)C)n1,0
+C=C1C=C([O-])N2C(=NC(NCC[NH+]3CCCCC3)=[NH+]C2C2CC=CCC2)N1,0
+COc1c2c(cc3c1C(C#CCOc1ccc(C=C4C(=O)N(C)C(=O)N(C)C4=O)cc1)[NH+](C)CC3)OCO2,0
+N#CC1C(NC(=O)CCc2nc(CSC3[NH+]=c4ccc(Cl)cc4=[NH+]3)no2)SC2CCCCC21,0
+Cc1ccc(CC(=O)N2CC(C(=O)NCCc3c(C)[nH]c4ccc(C#N)cc34)C3(CC[NH2+]CC3)C2)cc1,0
+CC1(C)CC2CC(C)(C[NH+]2CN2C(=O)C(=NNC(=O)CSc3nc4ccccc4o3)c3ccccc32)C1,0
+CC(C)NCC(Cc1ccc(Cl)cc1)C(=O)N1CCN(c2ncnc3c2C(C)SC3)CC1,1
+O=C(C=Cc1ccccc1)Nc1nnc(SCC(=O)c2ccc3c(c2)Cc2ccccc2-3)s1,0
+CC1CC(C)C[NH+](C(C)(C)CNC(=O)CCCCC2SCC3NC(=O)NC32)C1,0
+CC1=NC(NC(=O)CSc2[nH]c(Cc3ccc(O)cc3)c(C)[nH+]2)C(C#N)C1C,0
+CC1C(=O)Nc2ccc(NC(COc3cncc(-c4ccc5c(c4)C(C)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc21,1
+C=CCN1C(CC2=c3ccccc3=[NH+]C2)NNC1SCC(=O)Nc1ccc(C)cc1C,0
+O=C(c1ccco1)C1C2C(=O)N(c3ccc(Cl)cc3)C(=O)C2C2C=Cc3ccccc3N21,0
+CC1(C)C(=O)Nc2ccc(NC(COc3cncc(-c4ccc5c(c4)C(C)(C)C(=O)N5)c3)Cc3c[nH]c4ccccc34)cc21,1
+COCC(=O)NC1c2cc(NC3CCOCC3)c[nH+]c2N(CCC2=c3ccccc3=[NH+]C2)C1C(=O)OC,0
+CC(C)c1ccc(N2N[NH2+]NC2SCC(=O)C2=CN=C(C(=O)N3CCCC3)C2)cc1,0
+CCOc1ccccc1NC(=O)CSc1nc(N)c(C#N)c(-c2ccc(C(C)C)cc2)c1C#N,0
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+CC1(O)CCC2(CCC(=O)NCc3ccco3)C([NH2+]Cc3ccccn3)CC(C)(C)C2C1,0
+Nc1ccc2cc3ccc(=[NH2+])cc-3n(CCCC(=O)NCCN3C(=O)C=CC3=O)c2c1,0
+Cc1[nH]c2ccc(C#N)cc2c1CCNC(=O)C1CN(C(=O)C2CCC2)CC12CC[NH2+]CC2,0
+Cc1ccc(NC(=O)CSC2Nc3nccnc3C(=O)N2CCC2=c3ccccc3=[NH+]C2)c(C)c1,0
+CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCC(C)N)cc21,1
+COc1ccc(NS(=O)(=O)c2cc([N+](=O)[O-])ccc2NNC2=c3cc(F)ccc3=[NH+]C2=O)cc1,0
+CCN(CC)c1ccc(C=NNc2nc(-c3cccc(S(=O)(=O)N4CC(C)OC(C)C4)c3)cs2)cc1,0
+CC(C)C(NC(=O)N1CC(O)=Nc2ccccc21)C(=O)NCCC1=c2ccccc2=[NH+]C1,0
+CCOC(=O)c1ccc(NC(=O)C2CC(C(C)O)[NH2+]C23C(=O)Nc2c3ccc(C)c2C)cc1,0
+CCCCN(CC(=O)N1c2ccccc2-n2cccc2C1c1ccco1)C(=O)Nc1ccccc1OCC,0
+O=C(NC(CC1=c2ccccc2=[NH+]C1)C(=O)NCC1=CN2CC=CC=C2N1)c1cccs1,0
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+CCCC(C)C(=O)N1CC(C(=O)NCCNC(=O)OC(C)(C)C)C2(CC[NH2+]CC2)C1,0
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+Nc1ccccc1SC(C=CNNC1=[NH+]C(c2ccccc2)C(c2ccccc2)=NN1)c1ccccc1,0
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+CCc1c(N)ncnc1N1CCC(c2nc(-c3ccc(C(F)(F)F)c(F)c3)cn2CCN2CCCC2)CC1,1
+CCOc1ccc(NS(=O)(=O)c2ccc3c(c2)C2C=CCC2C(c2ccc(OC)c(O)c2)N3)cc1,0
+COC(=O)C1C(NC(=O)C2CCOC2)c2cc(NC(C)C(C)(C)O)c[nH+]c2N1CCC1=c2ccccc2=[NH+]C1,0
+CCCNC(=O)c1ccc(N2C(=O)C3CC4=c5ccccc5=[NH+]C4C(c4ccc(C)cc4)N3C2=O)cc1,0
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+CC(C)(Cc1ccco1)C1C(=O)Nc2ccc(-c3cncc(OCC(N)Cc4c[nH]c5ccccc45)c3)cc21,1
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+CC[NH+]1CCc2c(sc(NC(=O)CCSc3ccc(OC)cc3)c2C(N)=O)C1,0
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